# Number of dimensions 3 #INAME 1 H #INAME 2 N #INAME 3 H 3 8.202 120.361 1.575 4 U -7.135e+02 0.00e+00 - 0 0 0 0 0 # 14 ARG H 4 8.202 120.361 1.778 3 U -1.129e+03 0.00e+00 - 0 93 94 1390 0 # 14 ARG H 5 8.202 120.361 4.067 4 U -7.667e+02 0.00e+00 - 0 0 0 0 0 # 14 ARG H 6 8.202 120.361 4.313 3 U -6.854e+02 0.00e+00 - 0 93 94 1312 0 # 14 ARG H 7 8.629 120.846 1.611 3 U -7.386e+02 0.00e+00 - 0 85 86 1655 0 # 15 GLU H 8 8.629 120.846 1.995 3 U -1.817e+03 0.00e+00 - 0 85 86 1391 0 # 15 GLU H 9 8.629 120.846 2.294 3 U -1.333e+03 0.00e+00 - 0 85 86 1659 0 # 15 GLU H 10 8.629 120.846 4.311 3 U -2.312e+03 0.00e+00 - 0 85 86 1312 0 # 15 GLU H 11 8.383 118.986 2.813 3 U -1.083e+03 0.00e+00 - 0 115 116 1428 0 # 16 ASN H 12 8.383 118.986 4.208 4 U -8.550e+02 0.00e+00 - 0 0 0 0 0 # 16 ASN H 13 6.929 112.842 2.815 4 U -9.838e+02 0.00e+00 - 0 0 0 0 0 # 16 ASN HD21 14 6.929 112.842 7.611 3 U -1.938e+04 0.00e+00 - 0 1759 1760 1761 0 # 16 ASN HD21 15 7.609 112.842 2.802 3 U -2.141e+03 0.00e+00 - 0 1761 1760 1428 0 # 16 ASN HD22 16 7.609 112.842 6.927 3 U -1.959e+04 0.00e+00 - 0 1761 1760 1759 0 # 16 ASN HD22 17 7.609 112.842 0.763 4 U -5.399e+02 0.00e+00 - 0 0 0 0 0 # 16 ASN HD22 18 7.609 112.842 1.436 4 U -5.193e+02 0.00e+00 - 0 0 0 0 0 # 16 ASN HD22 19 8.114 121.511 4.667 3 U -2.819e+03 0.00e+00 - 0 59 60 1378 0 # 17 LEU H 20 8.114 121.511 4.227 3 U -1.837e+03 0.00e+00 - 0 49 50 1338 0 # 17 LEU H 21 8.114 121.511 1.601 3 U -4.073e+03 0.00e+00 - 0 59 60 1482 0 # 17 LEU H 22 8.114 121.511 1.419 4 U -1.218e+03 0.00e+00 - 0 0 0 0 0 # 17 LEU H 23 8.061 120.226 1.617 3 U -8.450e+02 0.00e+00 - 0 0 0 0 0 # 18 TYR H 24 8.061 120.226 2.891 4 U -2.181e+03 0.00e+00 - 0 0 0 0 0 # 18 TYR H 25 8.061 120.226 4.176 3 U -2.755e+03 0.00e+00 - 0 97 98 1379 0 # 18 TYR H 26 8.061 120.226 6.898 4 U -8.480e+02 0.00e+00 - 0 0 0 0 0 # 18 TYR H 27 7.464 111.826 2.431 3 U -2.127e+03 0.00e+00 - 0 191 192 1766 0 # 20 GLN HE21 28 7.464 111.826 6.875 3 U -3.068e+04 0.00e+00 - 0 191 192 1765 0 # 20 GLN HE21 29 6.881 111.826 0.818 4 U -7.497e+02 0.00e+00 - 0 0 0 0 0 # 20 GLN HE22 30 6.881 111.826 2.414 3 U -1.035e+03 0.00e+00 - 0 1765 192 1766 0 # 20 GLN HE22 31 6.881 111.826 7.472 3 U -3.431e+04 0.00e+00 - 0 1765 192 191 0 # 20 GLN HE22 32 7.446 118.501 0.579 3 U -7.266e+02 0.00e+00 - 0 127 128 1668 0 # 23 LEU H 33 7.446 118.501 0.739 3 U -6.674e+02 0.00e+00 - 0 127 128 1763 0 # 23 LEU H 34 7.446 118.501 1.152 3 U -6.694e+02 0.00e+00 - 0 127 128 1447 0 # 23 LEU H 35 7.446 118.501 1.579 3 U -2.371e+03 0.00e+00 - 0 127 128 1484 0 # 23 LEU H 36 7.446 118.501 1.749 3 U -2.224e+03 0.00e+00 - 0 127 128 1474 0 # 23 LEU H 37 7.446 118.501 4.433 4 U -7.145e+02 0.00e+00 - 0 0 0 0 0 # 23 LEU H 38 7.446 118.501 4.611 3 U -1.245e+03 0.00e+00 - 0 127 128 1360 0 # 23 LEU H 39 7.446 118.501 8.075 4 U -6.674e+02 0.00e+00 - 0 0 0 0 0 # 23 LEU H 40 9.437 120.307 0.575 3 U -1.387e+03 0.00e+00 - 0 95 96 1668 0 # 24 ARG H 41 9.437 120.307 0.723 3 U -9.866e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG H 42 9.437 120.307 1.147 3 U -1.883e+03 0.00e+00 - 0 95 96 1447 0 # 24 ARG H 43 9.437 120.307 1.491 3 U -2.659e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG H 44 9.437 120.307 1.794 3 U -1.418e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG H 45 9.437 120.307 4.283 3 U -1.158e+03 0.00e+00 - 0 95 96 1374 0 # 24 ARG H 46 9.437 120.307 4.611 3 U -6.684e+03 0.00e+00 - 0 95 96 1360 0 # 24 ARG H 47 9.437 120.307 8.836 3 U -2.150e+03 0.00e+00 - 0 95 96 199 0 # 24 ARG H 48 8.869 122.374 0.645 3 U -1.102e+03 0.00e+00 - 0 51 52 1595 0 # 25 GLU H 49 8.869 122.374 1.179 4 U -5.463e+02 0.00e+00 - 0 51 52 1447 0 # 25 GLU H 50 8.869 122.374 1.504 3 U -1.002e+03 0.00e+00 - 0 51 52 1446 0 # 25 GLU H 51 8.869 122.374 1.941 3 U -6.483e+03 0.00e+00 - 0 51 52 1392 0 # 25 GLU H 52 8.869 122.374 4.339 3 U -1.727e+03 0.00e+00 - 0 51 52 1314 0 # 25 GLU H 53 9.548 129.290 7.554 3 U -3.209e+03 0.00e+00 - 0 3 4 179 0 # 26 LEU H 54 9.548 129.290 4.342 3 U -7.010e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU H 55 9.548 129.290 2.081 3 U -1.146e+03 0.00e+00 - 0 3 4 1670 0 # 26 LEU H 56 9.548 129.290 1.723 3 U -3.394e+03 0.00e+00 - 0 3 4 1456 0 # 26 LEU H 57 9.548 129.290 1.287 3 U -2.161e+03 0.00e+00 - 0 3 4 1429 0 # 26 LEU H 58 7.549 112.605 9.550 3 U -5.174e+03 0.00e+00 - 0 179 180 3 0 # 27 LEU H 59 7.549 112.605 8.782 3 U -2.172e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU H 60 7.549 112.605 8.028 3 U -8.759e+02 0.00e+00 - 0 179 180 57 0 # 27 LEU H 61 7.549 112.605 4.912 4 U -7.838e+02 0.00e+00 - 0 0 0 0 0 # 27 LEU H 62 7.549 112.605 4.692 3 U -2.306e+03 0.00e+00 - 0 179 180 1316 0 # 27 LEU H 63 7.549 112.605 4.345 3 U -2.198e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU H 64 7.549 112.605 1.970 3 U -2.988e+03 0.00e+00 - 0 179 180 1423 0 # 27 LEU H 65 7.549 112.605 1.724 3 U -4.397e+03 0.00e+00 - 0 179 180 1456 0 # 27 LEU H 66 7.549 112.605 1.444 3 U -2.566e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU H 67 7.549 112.605 0.863 3 U -1.470e+03 0.00e+00 - 0 179 180 1588 0 # 27 LEU H 68 7.549 112.605 0.742 4 U -3.229e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU H 69 7.549 112.605 1.300 4 U -1.325e+03 0.00e+00 - 0 179 180 1429 0 # 27 LEU H 70 7.549 112.605 1.830 3 U -3.177e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU H 71 7.549 112.605 2.085 3 U -1.361e+03 0.00e+00 - 0 179 180 1670 0 # 27 LEU H 72 8.811 119.278 0.729 3 U -1.920e+03 0.00e+00 - 0 111 112 1673 0 # 28 ARG H 73 8.811 119.278 1.443 3 U -9.000e+02 0.00e+00 - 0 111 112 1504 0 # 28 ARG H 74 8.811 119.278 1.642 4 U -2.912e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG H 75 8.811 119.278 1.804 3 U -5.583e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG H 76 8.811 119.278 2.009 3 U -1.448e+03 0.00e+00 - 0 111 112 1457 0 # 28 ARG H 77 8.811 119.278 4.693 3 U -8.476e+03 0.00e+00 - 0 111 112 1316 0 # 28 ARG H 78 8.811 119.278 5.552 3 U -1.379e+03 0.00e+00 - 0 111 112 1317 0 # 28 ARG H 79 8.881 116.182 0.731 4 U -1.598e+03 0.00e+00 - 0 0 0 0 0 # 29 THR H 80 8.881 116.182 0.921 3 U -4.061e+03 0.00e+00 - 0 157 158 1678 0 # 29 THR H 81 8.881 116.182 1.556 3 U -1.860e+03 0.00e+00 - 0 157 158 1430 0 # 29 THR H 82 8.881 116.182 1.665 3 U -1.646e+03 0.00e+00 - 0 157 158 1731 0 # 29 THR H 83 8.881 116.182 1.910 3 U -8.540e+02 0.00e+00 - 0 157 158 1756 0 # 29 THR H 84 8.881 116.182 2.025 4 U -1.470e+03 0.00e+00 - 0 0 0 0 0 # 29 THR H 85 8.881 116.182 4.359 3 U -1.257e+03 0.00e+00 - 0 157 158 1677 0 # 29 THR H 86 8.881 116.182 4.940 3 U -1.228e+03 0.00e+00 - 0 157 158 1372 0 # 29 THR H 87 8.881 116.182 5.106 3 U -7.507e+02 0.00e+00 - 0 157 158 1318 0 # 29 THR H 88 8.881 116.182 5.539 3 U -8.998e+03 0.00e+00 - 0 157 158 1317 0 # 29 THR H 89 8.881 116.182 7.962 3 U -1.416e+03 0.00e+00 - 0 157 158 71 0 # 29 THR H 90 8.530 124.415 8.946 3 U -1.224e+03 0.00e+00 - 0 29 30 31 0 # 30 ASN H 92 8.530 124.415 5.124 3 U -6.543e+02 0.00e+00 - 0 29 30 1318 0 # 30 ASN H 93 7.770 113.751 7.128 3 U -6.861e+03 0.00e+00 - 0 1694 1695 1696 0 # 55 ASN HD21 94 7.770 113.751 2.827 3 U -1.560e+03 0.00e+00 - 0 1694 1695 1421 0 # 55 ASN HD21 95 7.126 113.751 7.773 3 U -6.089e+03 0.00e+00 - 0 1696 1695 1694 0 # 55 ASN HD22 96 7.126 113.751 0.907 4 U -6.644e+02 0.00e+00 - 0 0 0 0 0 # 55 ASN HD22 97 8.957 124.163 0.929 3 U -2.775e+03 0.00e+00 - 0 31 32 1678 0 # 31 ASP H 98 8.957 124.163 2.564 3 U -3.474e+03 0.00e+00 - 0 31 32 1432 0 # 31 ASP H 99 8.957 124.163 3.148 3 U -3.908e+03 0.00e+00 - 0 31 32 1459 0 # 31 ASP H 100 8.957 124.163 4.616 3 U -1.604e+03 0.00e+00 - 0 31 32 1319 0 # 31 ASP H 101 8.957 124.163 5.130 3 U -6.573e+02 0.00e+00 - 0 31 32 1318 0 # 31 ASP H 102 8.957 124.163 8.535 3 U -1.928e+03 0.00e+00 - 0 31 32 29 0 # 31 ASP H 103 8.834 129.421 1.533 3 U -6.620e+03 0.00e+00 - 0 1 2 1394 0 # 32 ALA H 104 8.834 129.421 3.167 4 U -6.543e+02 0.00e+00 - 0 1 2 1459 0 # 32 ALA H 105 8.834 129.421 4.010 3 U -1.894e+03 0.00e+00 - 0 1 2 1320 0 # 32 ALA H 106 8.834 129.421 4.636 3 U -6.764e+03 0.00e+00 - 0 1 2 1319 0 # 32 ALA H 107 8.834 129.421 8.142 3 U -2.187e+03 0.00e+00 - 0 1 2 87 0 # 32 ALA H 109 8.141 120.563 0.960 3 U -3.556e+03 0.00e+00 - 0 87 88 1511 0 # 33 VAL H 110 8.141 120.563 1.075 3 U -9.612e+03 0.00e+00 - 0 87 88 1512 0 # 33 VAL H 111 8.141 120.563 1.538 3 U -4.078e+03 0.00e+00 - 0 87 88 1394 0 # 33 VAL H 112 8.141 120.563 2.365 3 U -1.051e+04 0.00e+00 - 0 87 88 1395 0 # 33 VAL H 113 8.141 120.563 3.713 3 U -3.880e+03 0.00e+00 - 0 87 88 1321 0 # 33 VAL H 114 8.141 120.563 4.010 3 U -1.592e+03 0.00e+00 - 0 87 88 1320 0 # 33 VAL H 115 8.141 120.563 4.617 3 U -6.814e+02 0.00e+00 - 0 87 88 1319 0 # 33 VAL H 116 8.141 120.563 7.528 3 U -6.362e+03 0.00e+00 - 0 87 88 33 0 # 33 VAL H 117 8.141 120.563 8.836 3 U -3.370e+03 0.00e+00 - 0 87 88 1 0 # 33 VAL H 118 7.531 123.907 0.959 4 U -3.241e+03 0.00e+00 - 0 0 0 0 0 # 34 LEU H 119 7.531 123.907 1.090 3 U -1.277e+03 0.00e+00 - 0 33 34 1512 0 # 34 LEU H 120 7.531 123.907 1.432 3 U -1.309e+03 0.00e+00 - 0 33 34 1515 0 # 34 LEU H 121 7.531 123.907 1.567 3 U -5.133e+03 0.00e+00 - 0 33 34 1433 0 # 34 LEU H 122 7.531 123.907 1.949 3 U -3.760e+03 0.00e+00 - 0 33 34 1460 0 # 34 LEU H 123 7.531 123.907 2.369 3 U -3.755e+03 0.00e+00 - 0 33 34 1395 0 # 34 LEU H 124 7.531 123.907 3.713 3 U -1.154e+03 0.00e+00 - 0 33 34 1321 0 # 34 LEU H 125 7.531 123.907 4.204 3 U -2.828e+03 0.00e+00 - 0 33 34 1322 0 # 34 LEU H 126 7.531 123.907 8.141 3 U -5.567e+03 0.00e+00 - 0 33 34 87 0 # 34 LEU H 127 7.531 123.907 8.333 3 U -3.390e+03 0.00e+00 - 0 33 34 143 0 # 34 LEU H 128 8.330 117.741 0.743 3 U -2.303e+03 0.00e+00 - 0 143 144 1523 0 # 35 LEU H 129 8.330 117.741 0.940 3 U -2.743e+03 0.00e+00 - 0 0 0 0 0 # 35 LEU H 130 8.330 117.741 1.604 3 U -1.133e+04 0.00e+00 - 0 0 0 0 0 # 35 LEU H 131 8.330 117.741 1.944 3 U -3.221e+03 0.00e+00 - 0 143 144 1460 0 # 35 LEU H 132 8.330 117.741 3.725 3 U -4.005e+03 0.00e+00 - 0 143 144 1323 0 # 35 LEU H 133 8.330 117.741 4.008 3 U -2.243e+03 0.00e+00 - 0 143 144 1320 0 # 35 LEU H 134 8.330 117.741 4.207 3 U -1.349e+03 0.00e+00 - 0 143 144 1322 0 # 35 LEU H 135 8.330 117.741 7.529 3 U -3.971e+03 0.00e+00 - 0 143 144 33 0 # 35 LEU H 136 8.330 117.741 7.938 3 U -2.984e+03 0.00e+00 - 0 143 144 161 0 # 35 LEU H 137 8.330 117.741 8.850 3 U -9.525e+02 0.00e+00 - 0 143 144 1 0 # 35 LEU H 138 7.939 114.924 0.743 3 U -1.025e+03 0.00e+00 - 0 161 162 1523 0 # 36 SER H 139 7.939 114.924 0.952 3 U -9.681e+02 0.00e+00 - 0 161 162 1511 0 # 36 SER H 140 7.939 114.924 1.603 3 U -6.041e+03 0.00e+00 - 0 0 0 0 0 # 36 SER H 141 7.939 114.924 3.714 4 U -3.261e+03 0.00e+00 - 0 0 0 0 0 # 36 SER H 142 7.939 114.924 4.039 3 U -1.298e+04 0.00e+00 - 0 0 0 0 0 # 36 SER H 143 7.939 114.924 4.272 3 U -4.908e+03 0.00e+00 - 0 161 162 1324 0 # 36 SER H 144 7.939 114.924 8.869 3 U -9.085e+02 0.00e+00 - 0 161 162 119 0 # 36 SER H 145 7.939 114.924 8.328 3 U -4.374e+03 0.00e+00 - 0 161 162 143 0 # 36 SER H 146 7.939 114.924 8.123 3 U -7.885e+03 0.00e+00 - 0 161 162 17 0 # 36 SER H 147 8.114 126.104 0.959 3 U -1.518e+03 0.00e+00 - 0 17 18 1511 0 # 37 ALA H 148 8.114 126.104 1.560 3 U -1.268e+04 0.00e+00 - 0 17 18 1398 0 # 37 ALA H 149 8.114 126.104 3.730 3 U -7.597e+02 0.00e+00 - 0 0 0 0 0 # 37 ALA H 150 8.114 126.104 4.039 3 U -4.022e+03 0.00e+00 - 0 17 18 1397 0 # 37 ALA H 151 8.114 126.104 4.207 3 U -5.342e+03 0.00e+00 - 0 0 0 0 0 # 37 ALA H 152 8.114 126.104 2.119 3 U -6.037e+02 0.00e+00 - 0 17 18 1399 0 # 37 ALA H 153 8.114 126.104 8.881 3 U -4.164e+03 0.00e+00 - 0 17 18 119 0 # 37 ALA H 154 8.114 126.104 7.937 3 U -4.732e+03 0.00e+00 - 0 17 18 161 0 # 37 ALA H 155 8.875 118.905 0.742 3 U -3.410e+03 0.00e+00 - 0 119 120 1527 0 # 38 VAL H 156 8.875 118.905 0.966 3 U -6.965e+03 0.00e+00 - 0 119 120 1528 0 # 38 VAL H 157 8.875 118.905 1.421 3 U -7.557e+02 0.00e+00 - 0 119 120 1515 0 # 38 VAL H 158 8.875 118.905 1.560 3 U -4.720e+03 0.00e+00 - 0 119 120 1398 0 # 38 VAL H 159 8.875 118.905 2.103 3 U -6.395e+03 0.00e+00 - 0 119 120 1399 0 # 38 VAL H 160 8.875 118.905 3.408 3 U -3.257e+03 0.00e+00 - 0 119 120 1326 0 # 38 VAL H 161 8.875 118.905 3.740 3 U -1.131e+03 0.00e+00 - 0 119 120 1323 0 # 38 VAL H 162 8.875 118.905 4.202 3 U -1.204e+03 0.00e+00 - 0 119 120 1325 0 # 38 VAL H 163 8.875 118.905 8.293 3 U -3.297e+03 0.00e+00 - 0 119 120 223 0 # 38 VAL H 164 8.875 118.905 8.115 3 U -3.584e+03 0.00e+00 - 0 119 120 17 0 # 38 VAL H 165 8.295 106.943 0.737 3 U -2.607e+03 0.00e+00 - 0 223 224 1527 0 # 39 GLY H 166 8.295 106.943 0.965 3 U -1.630e+03 0.00e+00 - 0 223 224 1528 0 # 39 GLY H 167 8.295 106.943 1.532 3 U -1.576e+03 0.00e+00 - 0 223 224 1400 0 # 39 GLY H 168 8.295 106.943 2.104 3 U -3.382e+03 0.00e+00 - 0 223 224 1399 0 # 39 GLY H 169 8.295 106.943 3.390 3 U -5.302e+03 0.00e+00 - 0 0 0 0 0 # 39 GLY H 170 8.295 106.943 3.910 3 U -7.089e+03 0.00e+00 - 0 223 224 1389 0 # 39 GLY H 171 8.295 106.943 4.282 3 U -1.399e+03 0.00e+00 - 0 223 224 1324 0 # 39 GLY H 172 8.295 106.943 7.739 3 U -3.334e+03 0.00e+00 - 0 223 224 67 0 # 39 GLY H 173 8.295 106.943 8.881 3 U -3.931e+03 0.00e+00 - 0 223 224 119 0 # 39 GLY H 174 7.736 121.373 0.740 3 U -6.724e+02 0.00e+00 - 0 67 68 1527 0 # 40 ALA H 175 7.736 121.373 1.527 3 U -1.468e+04 0.00e+00 - 0 67 68 1400 0 # 40 ALA H 176 7.736 121.373 3.386 3 U -2.056e+03 0.00e+00 - 0 67 68 1384 0 # 40 ALA H 177 7.736 121.373 4.040 3 U -1.096e+03 0.00e+00 - 0 67 68 1397 0 # 40 ALA H 178 7.736 121.373 3.911 3 U -3.277e+03 0.00e+00 - 0 67 68 1389 0 # 40 ALA H 179 7.736 121.373 4.277 3 U -5.254e+03 0.00e+00 - 0 0 0 0 0 # 40 ALA H 180 7.736 121.373 8.295 3 U -4.561e+03 0.00e+00 - 0 67 68 223 0 # 40 ALA H 181 7.736 121.373 8.485 4 U -9.511e+02 0.00e+00 - 0 0 0 0 0 # 40 ALA H 182 7.736 121.373 7.876 3 U -7.817e+03 0.00e+00 - 0 67 68 81 0 # 40 ALA H 183 7.889 121.067 0.749 3 U -2.042e+03 0.00e+00 - 0 81 82 1496 0 # 41 LEU H 184 7.889 121.067 0.852 4 U -1.442e+03 0.00e+00 - 0 81 82 1493 0 # 41 LEU H 185 7.889 121.067 0.963 3 U -6.413e+02 0.00e+00 - 0 0 0 0 0 # 41 LEU H 186 7.889 121.067 1.335 3 U -3.185e+03 0.00e+00 - 0 81 82 1434 0 # 41 LEU H 187 7.889 121.067 1.532 3 U -5.021e+03 0.00e+00 - 0 81 82 1400 0 # 41 LEU H 188 7.889 121.067 1.753 3 U -6.081e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU H 189 7.889 121.067 1.905 3 U -6.820e+03 0.00e+00 - 0 81 82 1461 0 # 41 LEU H 190 7.889 121.067 3.400 4 U -1.747e+03 0.00e+00 - 0 81 82 1326 0 # 41 LEU H 191 7.889 121.067 3.841 3 U -6.573e+02 0.00e+00 - 0 81 82 1329 0 # 41 LEU H 192 7.889 121.067 4.081 3 U -4.192e+03 0.00e+00 - 0 81 82 1328 0 # 41 LEU H 193 7.889 121.067 4.283 3 U -1.454e+03 0.00e+00 - 0 81 82 1327 0 # 41 LEU H 194 7.889 121.067 8.945 3 U -8.957e+02 0.00e+00 - 0 81 82 99 0 # 41 LEU H 195 7.889 121.067 8.332 3 U -4.516e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU H 196 7.889 121.067 8.156 3 U -1.908e+03 0.00e+00 - 0 81 82 221 0 # 41 LEU H 197 7.889 121.067 7.741 3 U -5.085e+03 0.00e+00 - 0 81 82 67 0 # 41 LEU H 198 7.889 121.067 5.264 4 U -5.690e+02 0.00e+00 - 0 0 0 0 0 # 41 LEU H 199 8.325 118.959 0.088 3 U -1.426e+03 0.00e+00 - 0 117 118 1533 0 # 42 LEU H 200 8.325 118.959 0.605 3 U -1.781e+03 0.00e+00 - 0 117 118 1532 0 # 42 LEU H 201 8.325 118.959 0.744 3 U -1.305e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU H 202 8.325 118.959 0.823 3 U -1.359e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU H 203 8.325 118.959 1.370 3 U -4.957e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU H 204 8.325 118.959 1.558 3 U -2.739e+03 0.00e+00 - 0 117 118 1462 0 # 42 LEU H 205 8.325 118.959 1.701 3 U -6.571e+03 0.00e+00 - 0 117 118 1530 0 # 42 LEU H 206 8.325 118.959 1.910 3 U -2.611e+03 0.00e+00 - 0 117 118 1461 0 # 42 LEU H 207 8.325 118.959 3.389 3 U -1.109e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU H 208 8.325 118.959 3.867 3 U -2.659e+03 0.00e+00 - 0 0 0 0 0 # 42 LEU H 209 8.325 118.959 4.089 3 U -1.195e+03 0.00e+00 - 0 117 118 1328 0 # 42 LEU H 210 8.325 118.959 7.884 3 U -3.539e+03 0.00e+00 - 0 117 118 81 0 # 42 LEU H 211 8.325 118.959 8.962 3 U -2.928e+03 0.00e+00 - 0 117 118 99 0 # 42 LEU H 212 8.958 120.051 0.091 3 U -7.286e+02 0.00e+00 - 0 99 100 1533 0 # 43 ASP H 213 8.958 120.051 1.392 3 U -3.149e+03 0.00e+00 - 0 99 100 1435 0 # 43 ASP H 214 8.958 120.051 1.547 3 U -1.974e+03 0.00e+00 - 0 99 100 1462 0 # 43 ASP H 215 8.958 120.051 1.668 3 U -9.724e+02 0.00e+00 - 0 0 0 0 0 # 43 ASP H 216 8.958 120.051 2.718 3 U -3.145e+03 0.00e+00 - 0 99 100 1436 0 # 43 ASP H 217 8.958 120.051 2.901 3 U -6.130e+03 0.00e+00 - 0 99 100 1463 0 # 43 ASP H 218 8.958 120.051 3.876 3 U -1.528e+03 0.00e+00 - 0 0 0 0 0 # 43 ASP H 219 8.958 120.051 4.284 3 U -1.721e+03 0.00e+00 - 0 99 100 1327 0 # 43 ASP H 220 8.958 120.051 4.071 3 U -5.470e+02 0.00e+00 - 0 99 100 1328 0 # 43 ASP H 221 8.958 120.051 4.556 3 U -4.283e+03 0.00e+00 - 0 99 100 1330 0 # 43 ASP H 222 8.958 120.051 8.171 3 U -4.215e+03 0.00e+00 - 0 99 100 221 0 # 43 ASP H 223 8.958 120.051 8.318 3 U -5.109e+03 0.00e+00 - 0 99 100 117 0 # 43 ASP H 224 8.958 120.051 8.475 4 U -9.326e+02 0.00e+00 - 0 0 0 0 0 # 43 ASP H 225 8.958 120.051 9.439 4 U -1.321e+03 0.00e+00 - 0 0 0 0 0 # 43 ASP H 226 8.165 107.711 1.476 4 U -9.767e+02 0.00e+00 - 0 0 0 0 0 # 44 GLY H 227 8.165 107.711 2.717 3 U -1.687e+03 0.00e+00 - 0 221 222 1436 0 # 44 GLY H 228 8.165 107.711 2.901 3 U -2.972e+03 0.00e+00 - 0 221 222 1463 0 # 44 GLY H 229 8.165 107.711 3.953 3 U -1.089e+04 0.00e+00 - 0 221 222 1331 0 # 44 GLY H 230 8.165 107.711 4.273 3 U -8.269e+02 0.00e+00 - 0 221 222 1327 0 # 44 GLY H 231 8.165 107.711 4.558 3 U -1.462e+03 0.00e+00 - 0 221 222 1330 0 # 44 GLY H 232 8.165 107.711 7.311 3 U -4.209e+03 0.00e+00 - 0 221 222 53 0 # 44 GLY H 233 8.165 107.711 8.962 3 U -3.584e+03 0.00e+00 - 0 221 222 99 0 # 44 GLY H 234 7.306 122.006 0.820 3 U -1.008e+03 0.00e+00 - 0 53 54 1624 0 # 45 ALA H 235 7.306 122.006 1.456 3 U -1.077e+04 0.00e+00 - 0 53 54 1401 0 # 45 ALA H 236 7.306 122.006 3.958 3 U -3.374e+03 0.00e+00 - 0 0 0 0 0 # 45 ALA H 237 7.306 122.006 4.331 3 U -1.464e+03 0.00e+00 - 0 53 54 1333 0 # 45 ALA H 238 7.306 122.006 4.568 3 U -4.419e+03 0.00e+00 - 0 53 54 1332 0 # 45 ALA H 239 7.306 122.006 8.042 3 U -8.203e+03 0.00e+00 - 0 53 54 149 0 # 45 ALA H 240 7.306 122.006 8.156 3 U -4.317e+03 0.00e+00 - 0 53 54 221 0 # 45 ALA H 241 8.035 117.502 2.652 3 U -2.090e+03 0.00e+00 - 0 149 150 1437 0 # 46 ASP H 242 8.035 117.502 3.132 3 U -1.546e+03 0.00e+00 - 0 149 150 1464 0 # 46 ASP H 243 8.035 117.502 4.557 3 U -3.942e+03 0.00e+00 - 0 0 0 0 0 # 46 ASP H 244 8.035 117.502 4.339 3 U -1.727e+04 0.00e+00 - 0 149 150 1333 0 # 46 ASP H 245 8.035 117.502 7.310 3 U -7.851e+03 0.00e+00 - 0 149 150 53 0 # 46 ASP H 246 8.035 117.502 8.251 3 U -6.692e+03 0.00e+00 - 0 149 150 125 0 # 46 ASP H 247 8.245 118.501 0.614 3 U -6.009e+02 0.00e+00 - 0 125 126 1532 0 # 47 ILE H 248 8.245 118.501 0.795 3 U -1.815e+03 0.00e+00 - 0 125 126 1541 0 # 47 ILE H 249 8.245 118.501 0.933 4 U -2.506e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE H 250 8.245 118.501 1.452 3 U -2.534e+03 0.00e+00 - 0 125 126 1401 0 # 47 ILE H 251 8.245 118.501 1.663 4 U -1.089e+04 0.00e+00 - 0 0 0 0 0 # 47 ILE H 252 8.245 118.501 2.651 3 U -5.080e+02 0.00e+00 - 0 125 126 1437 0 # 47 ILE H 253 8.245 118.501 3.113 3 U -6.192e+02 0.00e+00 - 0 125 126 1464 0 # 47 ILE H 254 8.245 118.501 3.871 3 U -1.053e+03 0.00e+00 - 0 125 126 1329 0 # 47 ILE H 255 8.245 118.501 4.557 3 U -1.518e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE H 256 8.245 118.501 4.677 4 U -7.758e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE H 257 8.245 118.501 4.231 3 U -3.434e+03 0.00e+00 - 0 125 126 1334 0 # 47 ILE H 258 8.245 118.501 4.339 3 U -5.752e+03 0.00e+00 - 0 125 126 1333 0 # 47 ILE H 259 8.245 118.501 7.310 3 U -1.245e+03 0.00e+00 - 0 125 126 53 0 # 47 ILE H 260 8.245 118.501 7.779 4 U -1.024e+03 0.00e+00 - 0 0 0 0 0 # 47 ILE H 261 8.245 118.501 8.044 3 U -5.607e+03 0.00e+00 - 0 125 126 149 0 # 47 ILE H 262 8.245 118.501 8.722 4 U -9.710e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE H 263 9.265 118.743 0.961 3 U -2.360e+03 0.00e+00 - 0 121 122 1539 0 # 48 GLY H 264 9.265 118.743 1.670 3 U -7.145e+02 0.00e+00 - 0 121 122 1402 0 # 48 GLY H 265 9.265 118.743 3.756 3 U -4.561e+03 0.00e+00 - 0 121 122 1380 0 # 48 GLY H 266 9.265 118.743 4.230 3 U -1.117e+04 0.00e+00 - 0 121 122 1334 0 # 48 GLY H 267 9.265 118.743 4.123 3 U -2.599e+03 0.00e+00 - 0 121 122 1385 0 # 48 GLY H 268 9.265 118.743 4.499 4 U -5.328e+02 0.00e+00 - 0 0 0 0 0 # 48 GLY H 269 8.396 117.750 3.750 3 U -1.809e+03 0.00e+00 - 0 141 142 1380 0 # 49 HIS H 270 8.396 117.750 4.122 3 U -4.107e+03 0.00e+00 - 0 141 142 1385 0 # 49 HIS H 271 8.396 117.750 5.467 3 U -1.363e+03 0.00e+00 - 0 141 142 1335 0 # 49 HIS H 272 8.816 121.062 0.066 4 U -6.002e+02 0.00e+00 - 0 77 78 1533 0 # 50 LEU H 273 8.816 121.062 0.741 4 U -1.877e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU H 274 8.816 121.062 0.960 3 U -1.072e+03 0.00e+00 - 0 77 78 1598 0 # 50 LEU H 275 8.816 121.062 1.484 3 U -2.526e+03 0.00e+00 - 0 77 78 1466 0 # 50 LEU H 276 8.816 121.062 1.633 3 U -1.279e+03 0.00e+00 - 0 77 78 1480 0 # 50 LEU H 277 8.816 121.062 1.387 3 U -2.178e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU H 278 8.816 121.062 2.895 3 U -3.486e+03 0.00e+00 - 0 77 78 1438 0 # 50 LEU H 279 8.816 121.062 3.064 3 U -1.911e+03 0.00e+00 - 0 77 78 1465 0 # 50 LEU H 280 8.816 121.062 4.683 3 U -1.644e+03 0.00e+00 - 0 77 78 1336 0 # 50 LEU H 281 8.816 121.062 4.913 4 U -8.886e+02 0.00e+00 - 0 0 0 0 0 # 50 LEU H 282 8.816 121.062 5.470 3 U -7.214e+03 0.00e+00 - 0 77 78 1335 0 # 50 LEU H 283 8.816 121.062 9.054 4 U -1.363e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU H 284 8.816 121.062 9.547 3 U -2.397e+03 0.00e+00 - 0 77 78 5 0 # 50 LEU H 285 8.630 123.893 0.832 3 U -1.931e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL H 286 8.630 123.893 1.101 3 U -2.579e+03 0.00e+00 - 0 37 38 1549 0 # 51 VAL H 287 8.630 123.893 1.477 4 U -1.182e+03 0.00e+00 - 0 0 0 0 0 # 51 VAL H 288 8.630 123.893 2.075 3 U -3.197e+03 0.00e+00 - 0 37 38 1425 0 # 51 VAL H 289 8.630 123.893 4.687 3 U -7.680e+03 0.00e+00 - 0 37 38 1336 0 # 51 VAL H 290 8.630 123.893 5.033 3 U -1.021e+03 0.00e+00 - 0 37 38 1373 0 # 51 VAL H 291 8.630 123.893 9.109 3 U -9.880e+02 0.00e+00 - 0 37 38 7 0 # 51 VAL H 292 9.121 128.180 0.873 3 U -2.454e+03 0.00e+00 - 0 0 0 0 0 # 52 LEU H 293 9.121 128.180 0.771 3 U -8.179e+02 0.00e+00 - 0 0 0 0 0 # 52 LEU H 294 9.121 128.180 1.098 3 U -7.677e+02 0.00e+00 - 0 7 8 1549 0 # 52 LEU H 295 9.121 128.180 1.514 3 U -2.815e+03 0.00e+00 - 0 0 0 0 0 # 52 LEU H 296 9.121 128.180 1.653 4 U -1.327e+03 0.00e+00 - 0 0 0 0 0 # 52 LEU H 297 9.121 128.180 5.034 3 U -5.977e+03 0.00e+00 - 0 7 8 1373 0 # 52 LEU H 298 8.673 122.869 0.862 4 U -6.864e+02 0.00e+00 - 0 45 46 1558 0 # 53 ASP H 299 8.673 122.869 1.669 3 U -6.158e+02 0.00e+00 - 0 45 46 1422 0 # 53 ASP H 300 8.673 122.869 2.649 3 U -1.052e+03 0.00e+00 - 0 45 46 1448 0 # 53 ASP H 301 8.673 122.869 2.780 3 U -5.562e+02 0.00e+00 - 0 45 46 1475 0 # 53 ASP H 302 8.691 121.062 1.941 3 U -1.962e+03 0.00e+00 - 0 79 80 1559 0 # 54 GLN H 303 8.691 121.062 2.077 3 U -1.532e+03 0.00e+00 - 0 79 80 1418 0 # 54 GLN H 304 8.691 121.062 2.314 3 U -1.343e+03 0.00e+00 - 0 79 80 1560 0 # 54 GLN H 305 8.691 121.062 2.622 3 U -8.380e+02 0.00e+00 - 0 79 80 1448 0 # 54 GLN H 306 8.691 121.062 4.294 3 U -1.319e+03 0.00e+00 - 0 79 80 1358 0 # 54 GLN H 307 7.495 111.373 2.313 3 U -2.888e+03 0.00e+00 - 0 1689 1690 1560 0 # 54 GLN HE21 308 7.495 111.373 6.846 3 U -2.872e+04 0.00e+00 - 0 1689 1690 1691 0 # 54 GLN HE21 309 7.495 111.373 7.749 4 U -1.321e+03 0.00e+00 - 0 0 0 0 0 # 54 GLN HE21 310 7.495 111.373 8.069 4 U -9.298e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE21 311 7.495 111.373 8.727 4 U -9.014e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE21 312 6.847 111.373 0.858 4 U -5.080e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE22 313 6.847 111.373 2.317 3 U -1.375e+03 0.00e+00 - 0 1691 1690 1560 0 # 54 GLN HE22 314 6.847 111.373 7.500 3 U -2.780e+04 0.00e+00 - 0 1691 1690 1689 0 # 54 GLN HE22 315 6.847 111.373 8.087 4 U -5.612e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE22 316 6.847 111.373 8.322 4 U -5.832e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE22 317 6.847 111.373 8.546 4 U -5.328e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE22 318 8.569 119.799 2.050 4 U -7.095e+02 0.00e+00 - 0 103 104 1418 0 # 55 ASN H 319 8.569 119.799 4.292 3 U -1.542e+03 0.00e+00 - 0 103 104 1358 0 # 55 ASN H 320 8.569 119.799 2.832 3 U -1.506e+03 0.00e+00 - 0 103 104 1421 0 # 55 ASN H 321 7.584 111.055 0.951 4 U -5.016e+02 0.00e+00 - 0 1682 1683 1678 0 # 30 ASN HD21 322 7.584 111.055 2.052 4 U -5.505e+02 0.00e+00 - 0 1682 1683 1730 0 # 30 ASN HD21 323 7.584 111.055 2.668 4 U -6.734e+02 0.00e+00 - 0 1682 1683 1458 0 # 30 ASN HD21 324 7.584 111.055 2.836 3 U -1.482e+03 0.00e+00 - 0 1682 1683 1431 0 # 30 ASN HD21 325 7.584 111.055 6.813 3 U -1.786e+04 0.00e+00 - 0 1682 1683 1684 0 # 30 ASN HD21 326 6.807 111.055 0.907 4 U -5.945e+02 0.00e+00 - 0 1684 1683 1678 0 # 30 ASN HD22 327 6.807 111.055 2.677 4 U -5.839e+02 0.00e+00 - 0 1684 1683 1458 0 # 30 ASN HD22 328 6.807 111.055 2.838 3 U -1.072e+03 0.00e+00 - 0 1684 1683 1431 0 # 30 ASN HD22 329 6.807 111.055 7.586 3 U -1.963e+04 0.00e+00 - 0 1684 1683 1682 0 # 30 ASN HD22 330 8.368 120.302 2.059 3 U -7.888e+02 0.00e+00 - 0 65 66 1420 0 # 56 MET H 331 8.368 120.302 2.588 4 U -6.814e+02 0.00e+00 - 0 65 66 1701 0 # 56 MET H 332 8.368 120.302 4.571 3 U -5.335e+02 0.00e+00 - 0 65 66 1363 0 # 56 MET H 333 8.407 116.532 4.574 3 U -7.316e+02 0.00e+00 - 0 0 0 0 0 # 57 SER H 334 8.120 121.573 0.879 4 U -1.363e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE H 335 8.120 121.573 1.186 3 U -1.289e+03 0.00e+00 - 0 49 50 1565 0 # 58 ILE H 336 8.120 121.573 1.460 3 U -1.116e+03 0.00e+00 - 0 49 50 1564 0 # 58 ILE H 337 8.120 121.573 1.928 3 U -2.249e+03 0.00e+00 - 0 49 50 1404 0 # 58 ILE H 338 8.120 121.573 3.903 3 U -1.094e+03 0.00e+00 - 0 0 0 0 0 # 58 ILE H 339 8.120 121.573 4.530 3 U -3.755e+03 0.00e+00 - 0 49 50 1337 0 # 58 ILE H 340 8.209 124.837 0.906 3 U -2.218e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU H 341 8.209 124.837 1.641 3 U -5.953e+03 0.00e+00 - 0 0 0 0 0 # 59 LEU H 342 8.209 124.837 1.927 3 U -1.144e+03 0.00e+00 - 0 27 28 1404 0 # 59 LEU H 343 8.209 124.837 4.393 3 U -2.558e+03 0.00e+00 - 0 27 28 1339 0 # 59 LEU H 344 8.209 124.837 4.245 3 U -6.162e+03 0.00e+00 - 0 27 28 1338 0 # 59 LEU H 345 8.209 124.837 8.701 4 U -7.447e+02 0.00e+00 - 0 0 0 0 0 # 59 LEU H 346 8.351 121.494 0.894 3 U -6.955e+02 0.00e+00 - 0 0 0 0 0 # 60 GLU H 347 8.351 121.494 1.619 4 U -1.066e+03 0.00e+00 - 0 0 0 0 0 # 60 GLU H 348 8.351 121.494 2.024 4 U -2.215e+03 0.00e+00 - 0 61 62 1406 0 # 60 GLU H 349 8.351 121.494 2.104 4 U -1.301e+03 0.00e+00 - 0 61 62 1576 0 # 60 GLU H 350 8.351 121.494 2.279 3 U -1.375e+03 0.00e+00 - 0 61 62 1577 0 # 60 GLU H 351 8.351 121.494 4.258 3 U -2.599e+03 0.00e+00 - 0 61 62 1340 0 # 60 GLU H 352 8.351 121.494 4.384 3 U -3.800e+03 0.00e+00 - 0 61 62 1339 0 # 60 GLU H 353 8.438 109.778 3.931 3 U -1.510e+03 0.00e+00 - 0 213 214 1381 0 # 61 GLY H 354 8.438 109.778 4.116 3 U -1.387e+03 0.00e+00 - 0 213 214 1386 0 # 61 GLY H 355 8.438 109.778 4.242 3 U -1.752e+03 0.00e+00 - 0 213 214 1340 0 # 61 GLY H 356 8.149 115.445 3.918 4 U -8.009e+02 0.00e+00 - 0 0 0 0 0 # 62 SER H 357 8.319 123.516 1.696 4 U -2.916e+03 0.00e+00 - 0 0 0 0 0 # 63 LEU H 358 8.319 123.516 3.922 3 U -8.621e+02 0.00e+00 - 0 39 40 1407 0 # 63 LEU H 359 8.319 123.516 4.513 3 U -2.956e+03 0.00e+00 - 0 39 40 1341 0 # 63 LEU H 360 8.351 109.416 1.675 3 U -7.246e+02 0.00e+00 - 0 0 0 0 0 # 64 GLY H 361 8.351 109.416 3.996 3 U -3.016e+03 0.00e+00 - 0 215 216 1361 0 # 64 GLY H 362 8.351 109.416 4.429 3 U -2.659e+03 0.00e+00 - 0 215 216 1342 0 # 64 GLY H 363 7.984 119.283 0.951 4 U -6.756e+03 0.00e+00 - 0 0 0 0 0 # 65 VAL H 364 7.984 119.283 2.077 3 U -5.109e+03 0.00e+00 - 0 113 114 1419 0 # 65 VAL H 365 7.984 119.283 3.988 3 U -7.737e+03 0.00e+00 - 0 113 114 1361 0 # 65 VAL H 366 7.984 119.283 4.203 3 U -3.036e+03 0.00e+00 - 0 113 114 1362 0 # 65 VAL H 367 7.984 119.283 8.482 3 U -2.317e+03 0.00e+00 - 0 0 0 0 0 # 65 VAL H 368 8.477 127.247 0.952 4 U -1.769e+03 0.00e+00 - 0 0 0 0 0 # 66 ILE H 369 8.477 127.247 1.195 3 U -1.137e+03 0.00e+00 - 0 9 10 1712 0 # 66 ILE H 370 8.477 127.247 1.586 3 U -1.255e+03 0.00e+00 - 0 9 10 1711 0 # 66 ILE H 371 8.477 127.247 1.847 3 U -2.042e+03 0.00e+00 - 0 9 10 1708 0 # 66 ILE H 372 8.477 127.247 2.078 3 U -6.744e+02 0.00e+00 - 0 9 10 1419 0 # 66 ILE H 373 8.477 127.247 4.212 3 U -5.599e+03 0.00e+00 - 0 9 10 1362 0 # 66 ILE H 374 8.477 127.247 4.482 3 U -1.012e+03 0.00e+00 - 0 9 10 1707 0 # 66 ILE H 375 7.957 121.130 1.697 3 U -1.253e+03 0.00e+00 - 0 0 0 0 0 # 68 ARG H 376 7.957 121.130 1.901 3 U -2.591e+03 0.00e+00 - 0 71 72 1756 0 # 68 ARG H 377 7.957 121.130 4.313 3 U -3.919e+03 0.00e+00 - 0 71 72 1733 0 # 68 ARG H 378 8.428 118.247 1.648 4 U -1.045e+03 0.00e+00 - 0 0 0 0 0 # 69 ARG H 379 8.428 118.247 1.726 4 U -8.029e+02 0.00e+00 - 0 0 0 0 0 # 69 ARG H 380 8.428 118.247 4.645 3 U -1.640e+03 0.00e+00 - 0 133 134 1736 0 # 69 ARG H 381 8.770 120.981 0.742 3 U -2.546e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL H 382 8.770 120.981 0.851 3 U -4.215e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL H 383 8.770 120.981 1.450 3 U -7.015e+02 0.00e+00 - 0 83 84 1504 0 # 70 VAL H 384 8.770 120.981 1.636 3 U -1.957e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL H 385 8.770 120.981 1.981 3 U -3.783e+03 0.00e+00 - 0 83 84 1423 0 # 70 VAL H 386 8.770 120.981 4.939 3 U -6.282e+03 0.00e+00 - 0 83 84 1372 0 # 70 VAL H 387 8.770 120.981 5.539 3 U -1.046e+03 0.00e+00 - 0 83 84 1317 0 # 70 VAL H 388 8.770 120.981 7.549 3 U -1.474e+03 0.00e+00 - 0 83 84 179 0 # 70 VAL H 389 9.547 129.030 0.656 3 U -1.522e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU H 390 9.547 129.030 0.765 4 U -5.198e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU H 391 9.547 129.030 1.116 3 U -9.511e+02 0.00e+00 - 0 5 6 1549 0 # 71 LEU H 392 9.547 129.030 1.477 4 U -2.815e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU H 393 9.547 129.030 1.641 3 U -3.101e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU H 394 9.547 129.030 1.969 3 U -1.311e+03 0.00e+00 - 0 5 6 1423 0 # 71 LEU H 395 9.547 129.030 4.852 3 U -9.578e+03 0.00e+00 - 0 5 6 1371 0 # 71 LEU H 396 9.547 129.030 5.403 3 U -2.258e+03 0.00e+00 - 0 5 6 1376 0 # 71 LEU H 397 9.547 129.030 8.809 3 U -2.099e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU H 398 9.547 129.030 9.816 4 U -1.458e+03 0.00e+00 - 0 0 0 0 0 # 71 LEU H 399 9.547 129.030 5.021 3 U -1.089e+03 0.00e+00 - 0 5 6 1373 0 # 71 LEU H 400 8.840 111.059 0.702 3 U -5.495e+03 0.00e+00 - 0 0 0 0 0 # 72 VAL H 401 8.840 111.059 0.967 3 U -1.319e+03 0.00e+00 - 0 199 200 1598 0 # 72 VAL H 402 8.840 111.059 1.443 3 U -2.093e+03 0.00e+00 - 0 199 200 1453 0 # 72 VAL H 403 8.840 111.059 1.640 3 U -9.000e+02 0.00e+00 - 0 199 200 1480 0 # 72 VAL H 404 8.840 111.059 1.794 3 U -5.647e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL H 405 8.840 111.059 2.419 3 U -4.232e+02 0.00e+00 - 0 199 200 1427 0 # 72 VAL H 406 8.840 111.059 4.322 3 U -5.392e+02 0.00e+00 - 0 0 0 0 0 # 72 VAL H 407 8.840 111.059 4.820 3 U -1.846e+03 0.00e+00 - 0 199 200 1375 0 # 72 VAL H 408 8.840 111.059 5.409 3 U -9.044e+03 0.00e+00 - 0 199 200 1376 0 # 72 VAL H 409 8.840 111.059 10.062 4 U -5.746e+02 0.00e+00 - 0 199 200 35 0 # 72 VAL H 410 8.840 111.059 9.572 4 U -1.072e+03 0.00e+00 - 0 199 200 5 0 # 72 VAL H 411 8.840 111.059 9.440 3 U -2.303e+03 0.00e+00 - 0 199 200 95 0 # 72 VAL H 412 8.840 111.059 9.085 4 U -1.297e+03 0.00e+00 - 0 0 0 0 0 # 72 VAL H 413 10.034 123.885 0.559 4 U -6.383e+02 0.00e+00 - 0 35 36 1668 0 # 73 HIS H 414 10.034 123.885 0.715 3 U -8.872e+02 0.00e+00 - 0 35 36 1600 0 # 73 HIS H 415 10.034 123.885 0.961 3 U -1.151e+03 0.00e+00 - 0 35 36 1598 0 # 73 HIS H 416 10.034 123.885 2.405 3 U -3.044e+03 0.00e+00 - 0 35 36 1427 0 # 73 HIS H 417 10.034 123.885 2.949 3 U -1.906e+03 0.00e+00 - 0 35 36 1601 0 # 73 HIS H 418 10.034 123.885 3.084 3 U -2.133e+03 0.00e+00 - 0 35 36 1426 0 # 73 HIS H 419 10.034 123.885 4.281 3 U -7.988e+02 0.00e+00 - 0 35 36 1374 0 # 73 HIS H 421 8.461 126.492 0.579 3 U -9.028e+02 0.00e+00 - 0 13 14 1668 0 # 74 GLU H 422 8.461 126.492 0.720 3 U -5.548e+02 0.00e+00 - 0 13 14 1763 0 # 74 GLU H 423 8.461 126.492 1.478 4 U -6.503e+02 0.00e+00 - 0 13 14 1487 0 # 74 GLU H 424 8.461 126.492 1.867 3 U -2.562e+03 0.00e+00 - 0 13 14 1454 0 # 74 GLU H 425 8.461 126.492 2.023 3 U -2.474e+03 0.00e+00 - 0 13 14 1481 0 # 74 GLU H 426 8.461 126.492 2.154 4 U -2.968e+03 0.00e+00 - 0 13 14 1603 0 # 74 GLU H 427 8.461 126.492 3.108 3 U -5.101e+02 0.00e+00 - 0 13 14 1426 0 # 74 GLU H 428 8.461 126.492 3.828 3 U -2.371e+03 0.00e+00 - 0 13 14 1377 0 # 74 GLU H 429 8.461 126.492 4.279 3 U -6.547e+03 0.00e+00 - 0 13 14 1374 0 # 74 GLU H 430 8.461 126.492 4.609 3 U -1.578e+03 0.00e+00 - 0 13 14 1360 0 # 74 GLU H 431 8.461 126.492 11.147 3 U -9.312e+02 0.00e+00 - 0 13 14 313 0 # 74 GLU H 432 8.461 126.492 9.435 3 U -5.023e+02 0.00e+00 - 0 13 14 95 0 # 74 GLU H 433 7.391 123.133 0.713 3 U -1.363e+03 0.00e+00 - 0 43 44 1600 0 # 77 LEU H 434 7.391 123.133 0.844 4 U -2.067e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU H 435 7.391 123.133 1.324 3 U -5.728e+03 0.00e+00 - 0 43 44 1441 0 # 77 LEU H 436 7.391 123.133 1.177 4 U -6.654e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU H 437 7.391 123.133 1.478 4 U -2.212e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU H 438 7.391 123.133 1.954 3 U -5.342e+03 0.00e+00 - 0 43 44 1468 0 # 77 LEU H 439 7.391 123.133 2.800 3 U -8.500e+02 0.00e+00 - 0 43 44 1440 0 # 77 LEU H 440 7.391 123.133 2.977 3 U -6.473e+02 0.00e+00 - 0 43 44 1467 0 # 77 LEU H 441 7.391 123.133 3.853 3 U -4.578e+03 0.00e+00 - 0 0 0 0 0 # 77 LEU H 442 7.391 123.133 4.577 3 U -6.373e+02 0.00e+00 - 0 43 44 1343 0 # 77 LEU H 444 7.391 123.133 5.095 3 U -1.140e+03 0.00e+00 - 0 43 44 1344 0 # 77 LEU H 445 7.391 123.133 8.325 3 U -8.385e+03 0.00e+00 - 0 43 44 153 0 # 77 LEU H 446 7.391 123.133 8.565 4 U -6.044e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU H 447 7.391 123.133 8.833 3 U -8.787e+02 0.00e+00 - 0 43 44 217 0 # 77 LEU H 448 7.391 123.133 9.055 3 U -2.394e+03 0.00e+00 - 0 43 44 73 0 # 77 LEU H 449 11.133 123.403 2.187 3 U -5.001e+02 0.00e+00 - 0 313 314 1603 0 # 75 ASP H 450 11.133 123.403 2.817 3 U -1.576e+03 0.00e+00 - 0 313 314 1409 0 # 75 ASP H 451 11.133 123.403 4.584 3 U -6.744e+02 0.00e+00 - 0 313 314 1343 0 # 75 ASP H 452 11.133 123.403 7.774 4 U -7.226e+02 0.00e+00 - 0 0 0 0 0 # 75 ASP H 453 11.133 123.403 8.323 3 U -9.170e+02 0.00e+00 - 0 313 314 153 0 # 75 ASP H 454 11.133 123.403 8.449 3 U -5.555e+02 0.00e+00 - 0 313 314 13 0 # 75 ASP H 455 8.326 117.206 0.821 3 U -6.995e+02 0.00e+00 - 0 0 0 0 0 # 76 ASP H 456 8.326 117.206 0.709 3 U -6.137e+02 0.00e+00 - 0 153 154 1600 0 # 76 ASP H 457 8.326 117.206 2.796 3 U -4.720e+03 0.00e+00 - 0 0 0 0 0 # 76 ASP H 458 8.326 117.206 2.976 3 U -2.490e+03 0.00e+00 - 0 153 154 1467 0 # 76 ASP H 459 8.326 117.206 3.107 4 U -8.430e+02 0.00e+00 - 0 153 154 1426 0 # 76 ASP H 460 8.326 117.206 4.584 3 U -1.055e+03 0.00e+00 - 0 153 154 1343 0 # 76 ASP H 461 8.326 117.206 5.090 3 U -2.323e+03 0.00e+00 - 0 153 154 1344 0 # 76 ASP H 462 8.326 117.206 7.392 3 U -8.771e+03 0.00e+00 - 0 153 154 43 0 # 76 ASP H 463 8.326 117.206 11.131 3 U -2.130e+03 0.00e+00 - 0 153 154 313 0 # 76 ASP H 464 8.326 117.206 9.053 3 U -5.278e+02 0.00e+00 - 0 153 154 73 0 # 76 ASP H 465 8.326 117.206 8.809 4 U -6.644e+02 0.00e+00 - 0 153 154 217 0 # 76 ASP H 466 9.051 121.062 0.840 4 U -1.204e+03 0.00e+00 - 0 0 0 0 0 # 78 ALA H 467 9.051 121.062 1.316 3 U -2.334e+03 0.00e+00 - 0 73 74 1441 0 # 78 ALA H 468 9.051 121.062 1.478 3 U -1.672e+04 0.00e+00 - 0 73 74 1410 0 # 78 ALA H 469 9.051 121.062 1.958 3 U -4.300e+03 0.00e+00 - 0 73 74 1468 0 # 78 ALA H 470 9.051 121.062 3.863 3 U -1.412e+03 0.00e+00 - 0 73 74 1345 0 # 78 ALA H 471 9.051 121.062 3.957 3 U -8.520e+02 0.00e+00 - 0 0 0 0 0 # 78 ALA H 472 9.051 121.062 4.103 3 U -4.800e+03 0.00e+00 - 0 73 74 1346 0 # 78 ALA H 473 9.051 121.062 7.390 3 U -2.235e+03 0.00e+00 - 0 73 74 43 0 # 78 ALA H 474 9.051 121.062 8.317 3 U -5.541e+02 0.00e+00 - 0 73 74 153 0 # 78 ALA H 475 9.051 121.062 8.837 3 U -4.874e+03 0.00e+00 - 0 0 0 0 0 # 78 ALA H 476 9.051 121.062 9.527 4 U -9.752e+02 0.00e+00 - 0 0 0 0 0 # 78 ALA H 477 9.051 121.062 9.811 4 U -5.456e+02 0.00e+00 - 0 0 0 0 0 # 78 ALA H 478 8.834 108.243 1.478 3 U -7.362e+03 0.00e+00 - 0 217 218 1410 0 # 79 GLY H 479 8.834 108.243 4.080 4 U -1.761e+03 0.00e+00 - 0 217 218 1346 0 # 79 GLY H 480 8.834 108.243 3.829 3 U -6.025e+03 0.00e+00 - 0 217 218 1382 0 # 79 GLY H 481 8.834 108.243 3.941 3 U -8.771e+03 0.00e+00 - 0 217 218 1387 0 # 79 GLY H 483 8.834 108.243 5.102 3 U -9.014e+02 0.00e+00 - 0 217 218 1344 0 # 79 GLY H 484 8.834 108.243 9.054 3 U -4.794e+03 0.00e+00 - 0 217 218 73 0 # 79 GLY H 485 8.834 108.243 9.348 4 U -5.683e+02 0.00e+00 - 0 0 0 0 0 # 79 GLY H 486 8.843 125.343 0.783 3 U -1.977e+03 0.00e+00 - 0 25 26 1541 0 # 80 ALA H 487 8.843 125.343 0.929 4 U -9.667e+02 0.00e+00 - 0 0 0 0 0 # 80 ALA H 488 8.843 125.343 1.505 3 U -1.110e+04 0.00e+00 - 0 25 26 1411 0 # 80 ALA H 489 8.843 125.343 1.942 3 U -6.774e+02 0.00e+00 - 0 25 26 1412 0 # 80 ALA H 490 8.843 125.343 3.850 4 U -2.408e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA H 491 8.843 125.343 3.966 4 U -5.326e+03 0.00e+00 - 0 0 0 0 0 # 80 ALA H 492 8.843 125.343 5.457 4 U -6.945e+02 0.00e+00 - 0 0 0 0 0 # 80 ALA H 493 8.843 125.343 8.334 4 U -6.614e+02 0.00e+00 - 0 0 0 0 0 # 80 ALA H 494 8.740 117.235 0.886 3 U -2.526e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG H 495 8.740 117.235 1.510 3 U -6.330e+03 0.00e+00 - 0 0 0 0 0 # 81 ARG H 496 8.740 117.235 1.932 4 U -1.025e+04 0.00e+00 - 0 0 0 0 0 # 81 ARG H 497 8.740 117.235 3.251 3 U -6.834e+02 0.00e+00 - 0 151 152 1614 0 # 81 ARG H 498 8.740 117.235 3.849 3 U -4.374e+03 0.00e+00 - 0 151 152 1348 0 # 81 ARG H 499 8.740 117.235 3.985 3 U -1.482e+03 0.00e+00 - 0 151 152 1347 0 # 81 ARG H 500 8.740 117.235 4.105 3 U -1.281e+03 0.00e+00 - 0 151 152 1346 0 # 81 ARG H 501 8.740 117.235 6.629 4 U -7.677e+02 0.00e+00 - 0 0 0 0 0 # 81 ARG H 502 8.740 117.235 8.081 3 U -4.027e+03 0.00e+00 - 0 151 152 47 0 # 81 ARG H 503 8.740 117.235 7.959 3 U -7.667e+02 0.00e+00 - 0 151 152 91 0 # 81 ARG H 504 8.081 122.552 1.502 3 U -9.582e+02 0.00e+00 - 0 47 48 1411 0 # 82 ARG H 505 8.081 122.552 1.748 3 U -2.486e+03 0.00e+00 - 0 0 0 0 0 # 82 ARG H 506 8.081 122.552 2.002 3 U -1.178e+04 0.00e+00 - 0 0 0 0 0 # 82 ARG H 507 8.081 122.552 3.264 3 U -5.626e+02 0.00e+00 - 0 47 48 1619 0 # 82 ARG H 508 8.081 122.552 3.842 4 U -1.982e+03 0.00e+00 - 0 0 0 0 0 # 82 ARG H 509 8.081 122.552 4.039 3 U -3.516e+03 0.00e+00 - 0 0 0 0 0 # 82 ARG H 510 8.081 122.552 8.744 3 U -3.715e+03 0.00e+00 - 0 47 48 151 0 # 82 ARG H 511 8.081 122.552 8.863 3 U -9.270e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG H 512 8.081 122.552 8.481 4 U -7.627e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG H 513 8.081 122.552 7.830 4 U -1.979e+03 0.00e+00 - 0 0 0 0 0 # 82 ARG H 514 7.971 120.310 0.862 3 U -1.900e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU H 515 7.971 120.310 1.547 3 U -2.462e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU H 516 7.971 120.310 1.758 3 U -1.472e+04 0.00e+00 - 0 91 92 1414 0 # 83 LEU H 517 7.971 120.310 2.016 3 U -5.495e+03 0.00e+00 - 0 91 92 1413 0 # 83 LEU H 518 7.971 120.310 3.832 4 U -1.253e+03 0.00e+00 - 0 91 92 1348 0 # 83 LEU H 519 7.971 120.310 4.007 3 U -2.840e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU H 520 7.971 120.310 4.152 3 U -4.997e+03 0.00e+00 - 0 91 92 1350 0 # 83 LEU H 521 7.971 120.310 5.293 4 U -5.143e+02 0.00e+00 - 0 0 0 0 0 # 83 LEU H 522 7.971 120.310 8.453 4 U -1.130e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU H 523 7.971 120.310 8.755 3 U -8.915e+02 0.00e+00 - 0 0 0 0 0 # 83 LEU H 524 7.971 120.310 9.340 4 U -7.898e+02 0.00e+00 - 0 0 0 0 0 # 83 LEU H 525 8.026 117.742 0.851 3 U -5.069e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU H 526 8.026 117.742 0.756 3 U -1.642e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU H 527 8.026 117.742 1.449 3 U -4.482e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU H 528 8.026 117.742 1.774 4 U -1.450e+04 0.00e+00 - 0 0 0 0 0 # 84 LEU H 529 8.026 117.742 3.877 3 U -4.817e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU H 530 8.026 117.742 4.144 3 U -1.478e+03 0.00e+00 - 0 145 146 1350 0 # 84 LEU H 531 8.026 117.742 4.004 3 U -1.062e+03 0.00e+00 - 0 145 146 1347 0 # 84 LEU H 532 8.026 117.742 6.650 4 U -6.108e+02 0.00e+00 - 0 0 0 0 0 # 84 LEU H 533 8.026 117.742 8.305 3 U -4.590e+03 0.00e+00 - 0 145 146 123 0 # 84 LEU H 534 8.026 117.742 8.509 4 U -1.161e+03 0.00e+00 - 0 0 0 0 0 # 84 LEU H 535 8.026 117.742 8.767 3 U -1.205e+03 0.00e+00 - 0 145 146 23 0 # 84 LEU H 536 8.026 117.742 9.422 4 U -6.483e+02 0.00e+00 - 0 0 0 0 0 # 84 LEU H 537 8.307 118.501 0.867 3 U -1.090e+03 0.00e+00 - 0 123 124 1629 0 # 85 THR H 538 8.307 118.501 1.307 3 U -2.198e+03 0.00e+00 - 0 123 124 1632 0 # 85 THR H 539 8.307 118.501 1.428 3 U -1.426e+03 0.00e+00 - 0 123 124 1442 0 # 85 THR H 540 8.307 118.501 1.777 3 U -2.779e+03 0.00e+00 - 0 0 0 0 0 # 85 THR H 541 8.307 118.501 2.875 4 U -4.739e+02 0.00e+00 - 0 123 124 1470 0 # 85 THR H 542 8.307 118.501 3.904 3 U -4.158e+03 0.00e+00 - 0 0 0 0 0 # 85 THR H 543 8.307 118.501 4.055 3 U -1.177e+03 0.00e+00 - 0 123 124 1349 0 # 85 THR H 544 8.307 118.501 4.174 4 U -7.266e+02 0.00e+00 - 0 123 124 1350 0 # 85 THR H 545 8.307 118.501 4.441 3 U -5.487e+03 0.00e+00 - 0 123 124 1415 0 # 85 THR H 546 8.307 118.501 8.037 3 U -5.125e+03 0.00e+00 - 0 0 0 0 0 # 85 THR H 547 8.307 118.501 8.769 3 U -4.362e+03 0.00e+00 - 0 123 124 23 0 # 85 THR H 548 8.307 118.501 9.031 4 U -7.738e+02 0.00e+00 - 0 0 0 0 0 # 85 THR H 549 8.762 125.488 1.309 3 U -1.800e+03 0.00e+00 - 0 23 24 1632 0 # 86 ASP H 550 8.762 125.488 1.518 3 U -1.014e+03 0.00e+00 - 0 23 24 1416 0 # 86 ASP H 551 8.762 125.488 1.749 3 U -7.336e+02 0.00e+00 - 0 0 0 0 0 # 86 ASP H 552 8.762 125.488 2.731 3 U -3.601e+03 0.00e+00 - 0 23 24 1443 0 # 86 ASP H 553 8.762 125.488 2.858 3 U -5.945e+03 0.00e+00 - 0 23 24 1470 0 # 86 ASP H 554 8.762 125.488 3.907 3 U -1.448e+03 0.00e+00 - 0 23 24 1352 0 # 86 ASP H 555 8.762 125.488 4.038 3 U -1.181e+03 0.00e+00 - 0 23 24 1349 0 # 86 ASP H 556 8.762 125.488 4.149 3 U -8.986e+02 0.00e+00 - 0 23 24 1350 0 # 86 ASP H 557 8.762 125.488 4.455 4 U -7.510e+03 0.00e+00 - 0 0 0 0 0 # 86 ASP H 558 8.762 125.488 7.418 3 U -3.834e+03 0.00e+00 - 0 23 24 109 0 # 86 ASP H 559 8.762 125.488 7.747 4 U -4.774e+02 0.00e+00 - 0 0 0 0 0 # 86 ASP H 560 8.762 125.488 7.990 3 U -4.257e+02 0.00e+00 - 0 0 0 0 0 # 86 ASP H 561 8.762 125.488 8.307 3 U -3.305e+03 0.00e+00 - 0 23 24 123 0 # 86 ASP H 562 8.762 125.488 9.248 4 U -7.898e+02 0.00e+00 - 0 0 0 0 0 # 86 ASP H 563 7.426 119.431 0.768 3 U -8.591e+02 0.00e+00 - 0 109 110 1496 0 # 87 ALA H 564 7.426 119.431 0.881 4 U -5.179e+02 0.00e+00 - 0 109 110 1493 0 # 87 ALA H 565 7.426 119.431 1.511 3 U -1.142e+04 0.00e+00 - 0 109 110 1416 0 # 87 ALA H 566 7.426 119.431 1.989 4 U -5.236e+02 0.00e+00 - 0 0 0 0 0 # 87 ALA H 567 7.426 119.431 2.728 3 U -1.309e+03 0.00e+00 - 0 109 110 1443 0 # 87 ALA H 568 7.426 119.431 2.862 3 U -2.067e+03 0.00e+00 - 0 109 110 1470 0 # 87 ALA H 569 7.426 119.431 3.894 3 U -2.474e+03 0.00e+00 - 0 109 110 1351 0 # 87 ALA H 570 7.426 119.431 4.034 4 U -4.767e+02 0.00e+00 - 0 0 0 0 0 # 87 ALA H 571 7.426 119.431 4.134 3 U -8.430e+02 0.00e+00 - 0 109 110 1350 0 # 87 ALA H 572 7.426 119.431 4.465 3 U -5.278e+03 0.00e+00 - 0 0 0 0 0 # 87 ALA H 573 7.426 119.431 7.820 3 U -4.828e+03 0.00e+00 - 0 109 110 225 0 # 87 ALA H 574 7.426 119.431 7.936 4 U -1.211e+03 0.00e+00 - 0 0 0 0 0 # 87 ALA H 575 7.426 119.431 8.075 3 U -9.227e+02 0.00e+00 - 0 109 110 129 0 # 87 ALA H 576 7.426 119.431 8.182 4 U -8.550e+02 0.00e+00 - 0 0 0 0 0 # 87 ALA H 577 7.426 119.431 8.309 3 U -6.925e+02 0.00e+00 - 0 109 110 123 0 # 87 ALA H 578 7.426 119.431 8.771 3 U -3.687e+03 0.00e+00 - 0 109 110 23 0 # 87 ALA H 579 7.426 119.431 8.916 4 U -6.403e+02 0.00e+00 - 0 0 0 0 0 # 87 ALA H 580 7.809 106.098 1.507 3 U -2.260e+03 0.00e+00 - 0 225 226 1416 0 # 88 GLY H 581 7.809 106.098 1.407 3 U -8.731e+02 0.00e+00 - 0 225 226 1635 0 # 88 GLY H 582 7.809 106.098 3.927 3 U -1.026e+03 0.00e+00 - 0 225 226 1352 0 # 88 GLY H 583 7.809 106.098 4.109 3 U -5.350e+03 0.00e+00 - 0 225 226 1383 0 # 88 GLY H 584 7.809 106.098 4.299 3 U -3.374e+03 0.00e+00 - 0 225 226 1388 0 # 88 GLY H 585 7.809 106.098 4.459 3 U -2.184e+03 0.00e+00 - 0 225 226 1354 0 # 88 GLY H 586 7.809 106.098 7.430 3 U -3.133e+03 0.00e+00 - 0 225 226 109 0 # 88 GLY H 587 7.809 106.098 7.559 4 U -8.571e+02 0.00e+00 - 0 0 0 0 0 # 88 GLY H 588 7.809 106.098 8.071 3 U -5.656e+03 0.00e+00 - 0 225 226 129 0 # 88 GLY H 589 7.809 106.098 8.659 3 U -5.902e+02 0.00e+00 - 0 225 226 55 0 # 88 GLY H 590 7.809 106.098 8.783 4 U -5.952e+02 0.00e+00 - 0 225 226 23 0 # 88 GLY H 591 8.067 118.420 0.746 4 U -1.355e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU H 592 8.067 118.420 1.440 3 U -7.305e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU H 593 8.067 118.420 1.542 3 U -5.254e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU H 594 8.067 118.420 3.926 3 U -2.082e+03 0.00e+00 - 0 0 0 0 0 # 89 LEU H 595 8.067 118.420 4.113 3 U -1.528e+03 0.00e+00 - 0 129 130 1383 0 # 89 LEU H 596 8.067 118.420 4.285 3 U -9.454e+02 0.00e+00 - 0 129 130 1388 0 # 89 LEU H 597 8.067 118.420 4.478 4 U -5.839e+02 0.00e+00 - 0 129 130 1354 0 # 89 LEU H 598 8.067 118.420 4.645 3 U -1.971e+03 0.00e+00 - 0 129 130 1355 0 # 89 LEU H 599 8.067 118.420 7.800 3 U -3.326e+03 0.00e+00 - 0 129 130 225 0 # 89 LEU H 600 8.067 118.420 7.426 3 U -7.878e+02 0.00e+00 - 0 129 130 109 0 # 89 LEU H 601 8.067 118.420 8.665 3 U -2.996e+03 0.00e+00 - 0 129 130 55 0 # 89 LEU H 602 8.067 118.420 8.800 4 U -9.256e+02 0.00e+00 - 0 0 0 0 0 # 89 LEU H 603 8.661 121.860 0.774 4 U -6.754e+02 0.00e+00 - 0 55 56 1638 0 # 90 ALA H 604 8.661 121.860 0.922 4 U -5.250e+02 0.00e+00 - 0 55 56 1645 0 # 90 ALA H 605 8.661 121.860 1.069 4 U -4.512e+02 0.00e+00 - 0 0 0 0 0 # 90 ALA H 606 8.661 121.860 1.330 4 U -6.764e+02 0.00e+00 - 0 55 56 1632 0 # 90 ALA H 607 8.661 121.860 1.558 4 U -9.816e+03 0.00e+00 - 0 0 0 0 0 # 90 ALA H 608 8.661 121.860 3.930 4 U -6.218e+03 0.00e+00 - 0 0 0 0 0 # 90 ALA H 609 8.661 121.860 4.639 3 U -2.323e+03 0.00e+00 - 0 55 56 1355 0 # 90 ALA H 610 8.661 121.860 8.069 4 U -3.338e+03 0.00e+00 - 0 55 56 129 0 # 90 ALA H 611 8.079 119.525 2.896 4 U -6.664e+02 0.00e+00 - 0 0 0 0 0 # 91 HIS H 612 8.079 119.525 3.059 4 U -1.448e+03 0.00e+00 - 0 105 106 1452 0 # 91 HIS H 613 8.079 119.525 3.194 4 U -7.878e+02 0.00e+00 - 0 105 106 1479 0 # 91 HIS H 614 8.079 119.525 4.411 4 U -1.945e+03 0.00e+00 - 0 0 0 0 0 # 91 HIS H 615 7.665 118.253 1.641 3 U -4.896e+03 0.00e+00 - 0 0 0 0 0 # 92 GLU H 616 7.665 118.253 2.075 3 U -1.085e+03 0.00e+00 - 0 139 140 1646 0 # 92 GLU H 617 7.665 118.253 2.212 3 U -1.715e+03 0.00e+00 - 0 139 140 1478 0 # 92 GLU H 618 7.665 118.253 3.917 3 U -4.973e+02 0.00e+00 - 0 139 140 1742 0 # 92 GLU H 619 7.665 118.253 4.465 3 U -7.577e+02 0.00e+00 - 0 139 140 1369 0 # 92 GLU H 620 7.665 118.253 4.585 3 U -2.118e+03 0.00e+00 - 0 139 140 1368 0 # 92 GLU H 621 7.665 118.253 7.341 3 U -3.709e+03 0.00e+00 - 0 139 140 147 0 # 92 GLU H 622 7.665 118.253 7.480 4 U -1.195e+03 0.00e+00 - 0 0 0 0 0 # 92 GLU H 623 7.340 117.737 0.711 3 U -4.774e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU H 624 7.340 117.737 0.905 4 U -1.293e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU H 625 7.340 117.737 1.567 3 U -2.747e+03 0.00e+00 - 0 0 0 0 0 # 93 LEU H 626 7.340 117.737 1.805 3 U -5.061e+03 0.00e+00 - 0 147 148 1641 0 # 93 LEU H 627 7.340 117.737 1.897 3 U -4.862e+03 0.00e+00 - 0 147 148 1477 0 # 93 LEU H 628 7.340 117.737 3.930 3 U -7.186e+02 0.00e+00 - 0 147 148 1742 0 # 93 LEU H 629 7.340 117.737 4.300 3 U -2.002e+03 0.00e+00 - 0 147 148 1367 0 # 93 LEU H 630 7.340 117.737 4.586 3 U -1.920e+03 0.00e+00 - 0 147 148 1368 0 # 93 LEU H 631 7.340 117.737 7.665 3 U -3.550e+03 0.00e+00 - 0 147 148 139 0 # 93 LEU H 632 7.340 117.737 7.817 4 U -6.814e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU H 633 8.012 121.604 0.716 3 U -6.915e+02 0.00e+00 - 0 0 0 0 0 # 94 ARG H 634 8.012 121.604 0.878 3 U -2.133e+03 0.00e+00 - 0 57 58 1643 0 # 94 ARG H 635 8.012 121.604 1.568 3 U -2.486e+03 0.00e+00 - 0 57 58 1450 0 # 94 ARG H 636 8.012 121.604 1.702 3 U -5.455e+03 0.00e+00 - 0 57 58 1449 0 # 94 ARG H 637 8.012 121.604 1.831 3 U -5.816e+03 0.00e+00 - 0 0 0 0 0 # 94 ARG H 638 8.012 121.604 3.112 3 U -4.526e+02 0.00e+00 - 0 57 58 1746 0 # 94 ARG H 639 8.012 121.604 4.301 3 U -1.081e+04 0.00e+00 - 0 57 58 1367 0 # 94 ARG H 640 8.012 121.604 4.407 3 U -3.755e+03 0.00e+00 - 0 57 58 1366 0 # 94 ARG H 641 8.012 121.604 4.645 4 U -1.786e+03 0.00e+00 - 0 57 58 1316 0 # 94 ARG H 642 8.012 121.604 6.657 4 U -5.158e+02 0.00e+00 - 0 0 0 0 0 # 94 ARG H 643 8.012 121.604 7.337 3 U -7.396e+02 0.00e+00 - 0 57 58 147 0 # 94 ARG H 644 8.012 121.604 8.809 3 U -7.196e+02 0.00e+00 - 0 57 58 111 0 # 94 ARG H 645 8.672 120.060 1.669 4 U -6.333e+02 0.00e+00 - 0 0 0 0 0 # 95 SER H 646 8.672 120.060 3.904 3 U -6.165e+02 0.00e+00 - 0 101 102 1417 0 # 95 SER H 647 8.672 120.060 4.393 3 U -1.897e+03 0.00e+00 - 0 101 102 1366 0 # 95 SER H 648 8.672 120.060 4.539 4 U -4.682e+02 0.00e+00 - 0 101 102 1356 0 # 95 SER H 649 8.490 123.147 2.575 3 U -1.803e+03 0.00e+00 - 0 41 42 1445 0 # 96 ASP H 650 8.490 123.147 2.777 3 U -5.675e+02 0.00e+00 - 0 41 42 1472 0 # 96 ASP H 651 8.490 123.147 3.907 3 U -1.184e+03 0.00e+00 - 0 41 42 1417 0 # 96 ASP H 652 8.490 123.147 4.571 3 U -3.618e+03 0.00e+00 - 0 41 42 1356 0 # 96 ASP H 653 8.490 123.147 8.700 4 U -6.945e+02 0.00e+00 - 0 41 42 101 0 # 96 ASP H 654 8.490 123.147 9.946 4 U -5.016e+02 0.00e+00 - 0 0 0 0 0 # 96 ASP H 655 7.989 125.715 2.568 3 U -3.129e+03 0.00e+00 - 0 0 0 0 0 # 97 ASP H 656 7.989 125.715 2.783 3 U -1.480e+03 0.00e+00 - 0 19 20 1472 0 # 97 ASP H 657 7.989 125.715 3.903 3 U -1.006e+03 0.00e+00 - 0 19 20 1417 0 # 97 ASP H 658 7.989 125.715 4.714 3 U -5.415e+03 0.00e+00 - 0 19 20 1357 0 # 97 ASP H 659 7.989 125.715 5.354 4 U -1.448e+03 0.00e+00 - 0 0 0 0 0 # 97 ASP H 660 9.437 120.307 7.439 3 U -4.966e+02 0.00e+00 - 0 95 96 127 0 # 24 ARG H 661 9.437 120.307 5.401 3 U -4.604e+02 0.00e+00 - 0 95 96 1376 0 # 24 ARG H 662 9.437 120.307 3.332 4 U -5.711e+02 0.00e+00 - 0 0 0 0 0 # 24 ARG H 663 9.437 120.307 1.610 3 U -1.102e+03 0.00e+00 - 0 0 0 0 0 # 24 ARG H 664 7.446 118.501 7.855 4 U -6.644e+02 0.00e+00 - 0 0 0 0 0 # 23 LEU H 665 8.869 122.374 1.640 4 U -4.540e+02 0.00e+00 - 0 0 0 0 0 # 25 GLU H 666 8.869 122.374 3.301 3 U -4.647e+02 0.00e+00 - 0 51 52 1489 0 # 25 GLU H 667 8.869 122.374 6.874 4 U -5.874e+02 0.00e+00 - 0 0 0 0 0 # 25 GLU H 668 8.869 122.374 9.543 3 U -5.548e+02 0.00e+00 - 0 51 52 3 0 # 25 GLU H 669 9.548 129.290 0.876 3 U -1.468e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU H 670 9.548 129.290 1.838 3 U -1.163e+03 0.00e+00 - 0 0 0 0 0 # 26 LEU H 671 7.549 112.605 8.321 4 U -4.370e+02 0.00e+00 - 0 0 0 0 0 # 27 LEU H 672 7.549 112.605 7.741 4 U -1.566e+03 0.00e+00 - 0 0 0 0 0 # 27 LEU H 673 7.549 112.605 5.550 3 U -4.257e+02 0.00e+00 - 0 179 180 1317 0 # 27 LEU H 674 8.811 119.278 1.541 3 U -1.574e+03 0.00e+00 - 0 0 0 0 0 # 28 ARG H 675 8.811 119.278 7.533 3 U -5.988e+02 0.00e+00 - 0 111 112 179 0 # 28 ARG H 676 8.811 119.278 9.300 4 U -8.943e+02 0.00e+00 - 0 0 0 0 0 # 28 ARG H 677 8.811 119.278 9.549 4 U -5.995e+02 0.00e+00 - 0 0 0 0 0 # 28 ARG H 678 8.881 116.182 8.643 4 U -5.753e+02 0.00e+00 - 0 0 0 0 0 # 29 THR H 679 8.530 124.415 4.972 4 U -4.654e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN H 680 7.126 113.751 2.838 3 U -4.789e+02 0.00e+00 - 0 1696 1695 1421 0 # 55 ASN HD22 681 8.957 124.163 4.364 3 U -4.307e+02 0.00e+00 - 0 31 32 1677 0 # 31 ASP H 682 8.957 124.163 6.812 4 U -4.047e+02 0.00e+00 - 0 0 0 0 0 # 31 ASP H 683 8.834 129.421 7.538 3 U -4.384e+02 0.00e+00 - 0 1 2 33 0 # 32 ALA H 684 8.141 120.563 1.179 4 U -1.253e+03 0.00e+00 - 0 0 0 0 0 # 33 VAL H 685 8.141 120.563 7.392 4 U -1.041e+03 0.00e+00 - 0 0 0 0 0 # 33 VAL H 686 8.141 120.563 7.663 4 U -8.651e+02 0.00e+00 - 0 0 0 0 0 # 33 VAL H 687 8.141 120.563 9.629 4 U -5.448e+02 0.00e+00 - 0 0 0 0 0 # 33 VAL H 688 8.141 120.563 9.512 4 U -4.519e+02 0.00e+00 - 0 0 0 0 0 # 33 VAL H 689 8.141 120.563 8.621 4 U -6.563e+02 0.00e+00 - 0 0 0 0 0 # 33 VAL H 690 7.531 123.907 2.519 4 U -5.966e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU H 691 7.531 123.907 3.984 3 U -5.952e+02 0.00e+00 - 0 33 34 1320 0 # 34 LEU H 692 7.531 123.907 3.166 4 U -4.512e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU H 693 7.531 123.907 7.993 4 U -8.019e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU H 694 8.330 117.741 1.426 3 U -1.202e+03 0.00e+00 - 0 143 144 1515 0 # 35 LEU H 695 8.330 117.741 9.072 4 U -6.066e+02 0.00e+00 - 0 0 0 0 0 # 35 LEU H 696 8.330 117.741 9.733 4 U -5.101e+02 0.00e+00 - 0 0 0 0 0 # 35 LEU H 697 7.939 114.924 0.602 4 U -4.252e+02 0.00e+00 - 0 0 0 0 0 # 36 SER H 698 7.939 114.924 4.148 4 U -1.508e+03 0.00e+00 - 0 0 0 0 0 # 36 SER H 699 7.939 114.924 5.428 4 U -5.264e+02 0.00e+00 - 0 0 0 0 0 # 36 SER H 700 7.939 114.924 6.568 4 U -5.888e+02 0.00e+00 - 0 0 0 0 0 # 36 SER H 701 7.939 114.924 6.763 4 U -4.987e+02 0.00e+00 - 0 0 0 0 0 # 36 SER H 702 8.114 126.104 9.355 4 U -5.853e+02 0.00e+00 - 0 0 0 0 0 # 37 ALA H 703 8.114 126.104 8.633 4 U -4.860e+02 0.00e+00 - 0 0 0 0 0 # 37 ALA H 704 8.114 126.104 9.011 4 U -6.995e+02 0.00e+00 - 0 0 0 0 0 # 37 ALA H 705 8.875 118.905 1.069 4 U -1.147e+03 0.00e+00 - 0 0 0 0 0 # 38 VAL H 706 8.875 118.905 0.864 3 U -8.773e+02 0.00e+00 - 0 0 0 0 0 # 38 VAL H 707 8.875 118.905 6.213 4 U -5.307e+02 0.00e+00 - 0 0 0 0 0 # 38 VAL H 708 8.295 106.943 0.854 4 U -6.363e+02 0.00e+00 - 0 223 224 1493 0 # 39 GLY H 709 8.295 106.943 3.743 4 U -7.517e+02 0.00e+00 - 0 223 224 1323 0 # 39 GLY H 710 8.295 106.943 4.044 3 U -9.483e+02 0.00e+00 - 0 223 224 1397 0 # 39 GLY H 711 8.295 106.943 4.177 4 U -4.994e+02 0.00e+00 - 0 223 224 1325 0 # 39 GLY H 712 8.295 106.943 7.883 3 U -6.443e+02 0.00e+00 - 0 223 224 81 0 # 39 GLY H 713 7.736 121.373 1.302 4 U -4.604e+02 0.00e+00 - 0 0 0 0 0 # 40 ALA H 714 7.736 121.373 4.156 4 U -8.199e+02 0.00e+00 - 0 67 68 1325 0 # 40 ALA H 715 7.889 121.067 1.666 4 U -1.795e+03 0.00e+00 - 0 0 0 0 0 # 41 LEU H 716 7.889 121.067 9.271 4 U -4.739e+02 0.00e+00 - 0 0 0 0 0 # 41 LEU H 717 8.325 118.959 4.223 4 U -4.237e+02 0.00e+00 - 0 0 0 0 0 # 42 LEU H 718 8.325 118.959 5.863 4 U -5.150e+02 0.00e+00 - 0 0 0 0 0 # 42 LEU H 719 8.325 118.959 9.085 4 U -8.259e+02 0.00e+00 - 0 0 0 0 0 # 42 LEU H 720 8.958 120.051 0.824 3 U -4.959e+02 0.00e+00 - 0 0 0 0 0 # 43 ASP H 721 8.958 120.051 7.882 3 U -5.945e+02 0.00e+00 - 0 99 100 81 0 # 43 ASP H 722 8.165 107.711 4.090 3 U -1.979e+03 0.00e+00 - 0 221 222 1328 0 # 44 GLY H 723 8.165 107.711 8.808 4 U -7.577e+02 0.00e+00 - 0 0 0 0 0 # 44 GLY H 724 7.306 122.006 0.906 3 U -7.095e+02 0.00e+00 - 0 53 54 1622 0 # 45 ALA H 725 7.306 122.006 1.942 4 U -5.910e+02 0.00e+00 - 0 0 0 0 0 # 45 ALA H 726 7.306 122.006 4.091 3 U -7.166e+02 0.00e+00 - 0 53 54 1328 0 # 45 ALA H 727 8.245 118.501 4.089 4 U -5.342e+02 0.00e+00 - 0 0 0 0 0 # 47 ILE H 728 8.245 118.501 8.965 3 U -6.895e+02 0.00e+00 - 0 125 126 99 0 # 47 ILE H 729 9.265 118.743 0.787 3 U -5.207e+02 0.00e+00 - 0 121 122 1541 0 # 48 GLY H 730 8.396 117.750 3.058 3 U -4.562e+02 0.00e+00 - 0 141 142 1465 0 # 49 HIS H 731 8.396 117.750 9.244 4 U -6.151e+02 0.00e+00 - 0 141 142 121 0 # 49 HIS H 732 8.396 117.750 8.871 4 U -5.519e+02 0.00e+00 - 0 0 0 0 0 # 49 HIS H 733 8.816 121.062 1.107 4 U -5.555e+02 0.00e+00 - 0 77 78 1549 0 # 50 LEU H 734 8.816 121.062 4.805 3 U -1.022e+03 0.00e+00 - 0 0 0 0 0 # 50 LEU H 735 8.816 121.062 9.311 4 U -6.232e+02 0.00e+00 - 0 0 0 0 0 # 50 LEU H 736 8.630 123.893 0.986 4 U -6.108e+02 0.00e+00 - 0 0 0 0 0 # 51 VAL H 737 8.630 123.893 4.883 4 U -5.321e+02 0.00e+00 - 0 37 38 1371 0 # 51 VAL H 738 9.121 128.180 2.092 3 U -4.547e+02 0.00e+00 - 0 7 8 1425 0 # 52 LEU H 739 8.673 122.869 0.959 4 U -4.312e+02 0.00e+00 - 0 45 46 1713 0 # 53 ASP H 740 8.691 121.062 1.681 4 U -4.252e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN H 741 8.691 121.062 1.765 4 U -4.533e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN H 742 8.691 121.062 2.765 3 U -4.774e+02 0.00e+00 - 0 79 80 1475 0 # 54 GLN H 743 7.495 111.373 0.855 4 U -4.427e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE21 744 7.495 111.373 8.318 4 U -6.002e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE21 745 6.847 111.373 2.023 4 U -4.668e+02 0.00e+00 - 0 0 0 0 0 # 54 GLN HE22 746 7.584 111.055 7.328 4 U -5.413e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HD21 747 7.584 111.055 7.066 4 U -4.923e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HD21 748 6.807 111.055 7.066 4 U -6.804e+02 0.00e+00 - 0 0 0 0 0 # 30 ASN HD22 749 8.368 120.302 2.790 4 U -4.625e+02 0.00e+00 - 0 65 66 1421 0 # 56 MET H 750 8.368 120.302 4.672 3 U -9.085e+02 0.00e+00 - 0 65 66 1364 0 # 56 MET H 751 8.368 120.302 4.967 4 U -5.718e+02 0.00e+00 - 0 0 0 0 0 # 56 MET H 752 8.368 120.302 8.136 4 U -5.349e+02 0.00e+00 - 0 0 0 0 0 # 56 MET H 754 8.407 116.532 3.904 3 U -4.217e+02 0.00e+00 - 0 155 156 1403 0 # 57 SER H 755 8.120 121.573 6.256 4 U -5.619e+02 0.00e+00 - 0 0 0 0 0 # 58 ILE H 756 8.120 121.573 8.587 4 U -5.328e+02 0.00e+00 - 0 0 0 0 0 # 58 ILE H 757 8.438 109.778 2.014 3 U -1.700e+02 0.00e+00 - 0 213 214 1406 0 # 61 GLY H 758 8.319 123.516 0.874 4 U -4.017e+02 0.00e+00 - 0 39 40 1582 0 # 63 LEU H 759 8.319 123.516 4.404 3 U -7.025e+02 0.00e+00 - 0 39 40 1342 0 # 63 LEU H 760 8.351 109.416 5.079 4 U -4.888e+02 0.00e+00 - 0 0 0 0 0 # 64 GLY H 762 7.957 121.130 8.885 3 U -6.158e+02 0.00e+00 - 0 71 72 157 0 # 68 ARG H 763 8.428 118.247 3.086 3 U -5.314e+02 0.00e+00 - 0 133 134 1722 0 # 69 ARG H 764 8.428 118.247 8.867 3 U -4.874e+02 0.00e+00 - 0 0 0 0 0 # 69 ARG H 765 8.428 118.247 9.114 4 U -4.562e+02 0.00e+00 - 0 133 134 7 0 # 69 ARG H 766 8.770 120.981 0.956 3 U -9.596e+02 0.00e+00 - 0 83 84 1678 0 # 70 VAL H 767 8.770 120.981 1.812 3 U -6.674e+02 0.00e+00 - 0 83 84 1393 0 # 70 VAL H 768 8.770 120.981 4.833 3 U -1.945e+03 0.00e+00 - 0 83 84 1371 0 # 70 VAL H 769 8.770 120.981 9.553 4 U -1.036e+03 0.00e+00 - 0 0 0 0 0 # 70 VAL H 770 9.547 129.030 5.156 4 U -6.744e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU H 771 9.547 129.030 9.290 4 U -7.477e+02 0.00e+00 - 0 0 0 0 0 # 71 LEU H 772 8.840 111.059 1.287 3 U -5.186e+02 0.00e+00 - 0 199 200 1429 0 # 72 VAL H 773 10.034 123.885 6.110 4 U -5.299e+02 0.00e+00 - 0 0 0 0 0 # 73 HIS H 774 10.034 123.885 6.874 4 U -4.533e+02 0.00e+00 - 0 0 0 0 0 # 73 HIS H 775 8.326 117.206 1.329 3 U -5.001e+02 0.00e+00 - 0 153 154 1441 0 # 76 ASP H 776 8.326 117.206 3.833 3 U -4.533e+02 0.00e+00 - 0 153 154 1377 0 # 76 ASP H 778 7.391 123.133 7.909 4 U -5.115e+02 0.00e+00 - 0 0 0 0 0 # 77 LEU H 779 9.051 121.062 6.547 4 U -4.853e+02 0.00e+00 - 0 0 0 0 0 # 78 ALA H 780 8.834 108.243 0.812 3 U -4.597e+02 0.00e+00 - 0 217 218 1541 0 # 79 GLY H 781 8.843 125.343 1.758 3 U -4.491e+02 0.00e+00 - 0 25 26 1414 0 # 80 ALA H 782 8.843 125.343 5.099 3 U -4.881e+02 0.00e+00 - 0 25 26 1344 0 # 80 ALA H 783 8.740 117.235 0.745 3 U -6.137e+02 0.00e+00 - 0 151 152 1501 0 # 81 ARG H 784 8.081 122.552 0.719 3 U -4.980e+02 0.00e+00 - 0 0 0 0 0 # 82 ARG H 785 8.081 122.552 1.901 4 U -4.794e+03 0.00e+00 - 0 0 0 0 0 # 82 ARG H 786 7.971 120.310 1.881 4 U -2.104e+03 0.00e+00 - 0 0 0 0 0 # 83 LEU H 787 7.971 120.310 3.270 3 U -5.392e+02 0.00e+00 - 0 91 92 1619 0 # 83 LEU H 788 8.026 117.742 1.573 3 U -1.596e+03 0.00e+00 - 0 145 146 1621 0 # 84 LEU H 789 8.026 117.742 7.553 4 U -8.109e+02 0.00e+00 - 0 0 0 0 0 # 84 LEU H 790 8.661 121.860 4.285 3 U -5.917e+02 0.00e+00 - 0 55 56 1388 0 # 90 ALA H 791 8.661 121.860 4.071 4 U -5.385e+02 0.00e+00 - 0 55 56 1383 0 # 90 ALA H 792 8.079 119.525 7.248 4 U -4.845e+02 0.00e+00 - 0 0 0 0 0 # 91 HIS H 793 7.665 118.253 0.941 3 U -4.881e+02 0.00e+00 - 0 139 140 1645 0 # 92 GLU H 794 7.665 118.253 1.823 4 U -7.296e+02 0.00e+00 - 0 0 0 0 0 # 92 GLU H 795 7.665 118.253 3.112 3 U -4.007e+02 0.00e+00 - 0 139 140 1452 0 # 92 GLU H 796 7.665 118.253 3.224 3 U -5.314e+02 0.00e+00 - 0 139 140 1479 0 # 92 GLU H 797 7.340 117.737 6.590 4 U -4.938e+02 0.00e+00 - 0 0 0 0 0 # 93 LEU H 798 7.340 117.737 8.046 4 U -6.674e+02 0.00e+00 - 0 147 148 57 0 # 93 LEU H 799 8.012 121.604 4.515 4 U -8.360e+02 0.00e+00 - 0 0 0 0 0 # 94 ARG H 800 8.012 121.604 4.914 4 U -7.998e+02 0.00e+00 - 0 0 0 0 0 # 94 ARG H 801 8.490 123.147 9.471 4 U -4.654e+02 0.00e+00 - 0 0 0 0 0 # 96 ASP H 802 8.869 122.374 0.794 0 U -4.434e+02 0.00e+00 - 0 51 52 1608 0 # 25 GLU H 803 7.549 112.605 5.402 0 U -4.370e+02 0.00e+00 - 0 179 180 1376 0 # 27 LEU H 804 7.531 123.907 0.715 0 U -4.782e+02 0.00e+00 - 0 0 0 0 0 # 34 LEU H 805 8.295 106.943 8.110 0 U -9.085e+02 0.00e+00 - 0 223 224 17 0 # 39 GLY H 806 8.165 107.711 7.905 0 U -7.738e+02 0.00e+00 - 0 221 222 81 0 # 44 GLY H 807 9.121 128.180 8.440 0 U -4.739e+02 0.00e+00 - 0 7 8 133 0 # 52 LEU H