REMARK FILENAME="/u/lytle/bc019267/9valid/c108a/refined_input/refined_14.pdb" REMARK Structure ACCEPTED REMARK E-overall: -1892.78 REMARK E-NOE_restraints: 50.4626 REMARK E-CDIH_restraints: 0.561961 REMARK E-COUP_restraints: 0 REMARK E-SANI_restraints: 0 REMARK E-VEAN_restraints: 0 REMARK RMS-NOE_restraints: 3.567492E-02 REMARK RMS-CDIH_restraints: 0.447798 REMARK RMS-COUP_restraints: 0 REMARK RMS-SANI_restraints: 0 REMARK RMS-VEAN_restraints: 0 REMARK NOE Acceptance criterium: 0.5 REMARK NOE violations > 0.5: 0 REMARK All NOE viol. (>0.5,0.4,0.3,0.2,0.1A): 0 0 1 5 27 REMARK CDIH Acceptance criterium: 5 REMARK CDIH violations > 5: 0 REMARK COUP Acceptance criterium: 1 REMARK COUP violations > 1: 0 REMARK SANI Acceptance criterium: 0 REMARK SANI violations > 0: 0 REMARK VEAN Acceptance criterium: 5 REMARK VEAN violations > 5: 0 REMARK DATE:23-Mar-05 23:18:15 created by user: ATOM 10 N ASP 1 1.031 -.802 -.088 1.00 .00 ATOM 14 CA ASP 1 .147 -.872 -1.266 1.00 .00 ATOM 8 C ASP 1 -.399 -2.276 -1.643 1.00 .00 ATOM 9 O ASP 1 -1.296 -2.332 -2.475 1.00 .00 ATOM 2 CB ASP 1 .774 -.217 -2.486 1.00 .00 ATOM 5 CG ASP 1 .981 1.250 -2.300 1.00 .00 ATOM 6 OD1 ASP 1 1.966 1.635 -1.657 1.00 .00 ATOM 7 OD2 ASP 1 .169 2.053 -2.810 1.00 .00 ATOM 1 HA ASP 1 -0.725 -0.288 -1.009 1.00 0.00 ATOM 3 HB1 ASP 1 0.125 -0.370 -3.335 1.00 0.00 ATOM 4 HB2 ASP 1 1.728 -0.680 -2.685 1.00 0.00 ATOM 11 HT1 ASP 1 1.321 0.181 0.089 1.00 0.00 ATOM 12 HT2 ASP 1 1.905 -1.341 -0.247 1.00 0.00 ATOM 13 HT3 ASP 1 0.559 -1.156 0.768 1.00 0.00 ATOM 15 N PRO 2 .118 -3.455 -1.112 1.00 .00 ATOM 16 CA PRO 2 -.497 -4.746 -1.420 1.00 .00 ATOM 27 C PRO 2 -1.979 -4.738 -1.094 1.00 .00 ATOM 28 O PRO 2 -2.384 -4.260 -.019 1.00 .00 ATOM 18 CB PRO 2 .227 -5.747 -.517 1.00 .00 ATOM 21 CG PRO 2 1.037 -4.931 .422 1.00 .00 ATOM 24 CD PRO 2 1.307 -3.643 -.272 1.00 .00 ATOM 17 HA PRO 2 -0.360 -5.011 -2.458 1.00 0.00 ATOM 19 HB1 PRO 2 0.839 -6.378 -1.140 1.00 0.00 ATOM 20 HB2 PRO 2 -0.507 -6.346 0.003 1.00 0.00 ATOM 22 HG1 PRO 2 1.963 -5.439 0.647 1.00 0.00 ATOM 23 HG2 PRO 2 0.477 -4.752 1.328 1.00 0.00 ATOM 25 HD1 PRO 2 2.195 -3.712 -0.879 1.00 0.00 ATOM 26 HD2 PRO 2 1.394 -2.843 0.445 1.00 0.00 ATOM 29 N ASN 3 -2.775 -5.224 -2.041 1.00 .00 ATOM 31 CA ASN 3 -4.239 -5.300 -1.968 1.00 .00 ATOM 41 C ASN 3 -4.915 -3.901 -2.072 1.00 .00 ATOM 42 O ASN 3 -6.010 -3.772 -2.615 1.00 .00 ATOM 33 CB ASN 3 -4.641 -6.012 -.703 1.00 .00 ATOM 36 CG ASN 3 -6.143 -6.135 -.479 1.00 .00 ATOM 37 OD1 ASN 3 -6.609 -6.060 .647 1.00 .00 ATOM 38 ND2 ASN 3 -6.893 -6.397 -1.523 1.00 .00 ATOM 30 HN ASN 3 -2.345 -5.572 -2.840 1.00 0.00 ATOM 32 HA ASN 3 -4.564 -5.885 -2.814 1.00 0.00 ATOM 34 HB1 ASN 3 -4.159 -5.416 0.047 1.00 0.00 ATOM 35 HB2 ASN 3 -4.192 -6.996 -0.731 1.00 0.00 ATOM 39 HD21 ASN 3 -6.472 -6.506 -2.404 1.00 0.00 ATOM 40 HD22 ASN 3 -7.858 -6.482 -1.380 1.00 0.00 ATOM 43 N ALA 4 -4.254 -2.881 -1.579 1.00 .00 ATOM 45 CA ALA 4 -4.753 -1.532 -1.608 1.00 .00 ATOM 51 C ALA 4 -3.971 -.737 -2.612 1.00 .00 ATOM 52 O ALA 4 -3.021 -.018 -2.268 1.00 .00 ATOM 47 CB ALA 4 -4.665 -.887 -.241 1.00 .00 ATOM 44 HN ALA 4 -3.366 -3.036 -1.199 1.00 0.00 ATOM 46 HA ALA 4 -5.790 -1.555 -1.915 1.00 0.00 ATOM 48 HB1 ALA 4 -5.084 0.107 -0.279 1.00 0.00 ATOM 49 HB2 ALA 4 -3.625 -0.816 0.036 1.00 0.00 ATOM 50 HB3 ALA 4 -5.198 -1.485 0.480 1.00 0.00 ATOM 53 N GLU 5 -4.308 -.933 -3.839 1.00 .00 ATOM 55 CA GLU 5 -3.652 -.290 -4.923 1.00 .00 ATOM 66 C GLU 5 -4.032 1.194 -4.995 1.00 .00 ATOM 67 O GLU 5 -3.250 2.065 -4.560 1.00 .00 ATOM 57 CB GLU 5 -3.967 -1.017 -6.229 1.00 .00 ATOM 60 CG GLU 5 -3.302 -.440 -7.459 1.00 .00 ATOM 63 CD GLU 5 -3.736 -1.150 -8.706 1.00 .00 ATOM 64 OE1 GLU 5 -4.807 -.796 -9.255 1.00 .00 ATOM 65 OE2 GLU 5 -3.036 -2.069 -9.155 1.00 .00 ATOM 54 HN GLU 5 -5.038 -1.562 -4.005 1.00 0.00 ATOM 56 HA GLU 5 -2.600 -0.392 -4.721 1.00 0.00 ATOM 58 HB1 GLU 5 -5.036 -1.005 -6.380 1.00 0.00 ATOM 59 HB2 GLU 5 -3.649 -2.045 -6.133 1.00 0.00 ATOM 61 HG1 GLU 5 -2.232 -0.537 -7.356 1.00 0.00 ATOM 62 HG2 GLU 5 -3.563 0.605 -7.540 1.00 0.00 ATOM 68 N PHE 6 -5.243 1.470 -5.509 1.00 .00 ATOM 70 CA PHE 6 -5.770 2.837 -5.688 1.00 .00 ATOM 86 C PHE 6 -4.773 3.672 -6.519 1.00 .00 ATOM 87 O PHE 6 -3.941 3.122 -7.245 1.00 .00 ATOM 72 CB PHE 6 -6.010 3.505 -4.319 1.00 .00 ATOM 75 CG PHE 6 -6.816 2.670 -3.364 1.00 .00 ATOM 76 CD1 PHE 6 -8.058 2.178 -3.718 1.00 .00 ATOM 78 CD2 PHE 6 -6.319 2.376 -2.107 1.00 .00 ATOM 80 CE1 PHE 6 -8.784 1.402 -2.835 1.00 .00 ATOM 82 CE2 PHE 6 -7.044 1.608 -1.225 1.00 .00 ATOM 84 CZ PHE 6 -8.276 1.120 -1.590 1.00 .00 ATOM 69 HN PHE 6 -5.813 0.720 -5.782 1.00 0.00 ATOM 71 HA PHE 6 -6.703 2.766 -6.228 1.00 0.00 ATOM 73 HB1 PHE 6 -6.528 4.440 -4.473 1.00 0.00 ATOM 74 HB2 PHE 6 -5.053 3.700 -3.860 1.00 0.00 ATOM 77 HD1 PHE 6 -8.458 2.399 -4.697 1.00 0.00 ATOM 79 HD2 PHE 6 -5.352 2.759 -1.816 1.00 0.00 ATOM 81 HE1 PHE 6 -9.754 1.017 -3.113 1.00 0.00 ATOM 83 HE2 PHE 6 -6.648 1.387 -0.245 1.00 0.00 ATOM 85 HZ PHE 6 -8.837 0.512 -0.896 1.00 0.00 ATOM 88 N ASP 7 -4.871 4.973 -6.443 1.00 .00 ATOM 90 CA ASP 7 -3.912 5.824 -7.119 1.00 .00 ATOM 98 C ASP 7 -3.076 6.508 -6.053 1.00 .00 ATOM 99 O ASP 7 -3.627 7.007 -5.082 1.00 .00 ATOM 92 CB ASP 7 -4.609 6.882 -7.976 1.00 .00 ATOM 95 CG ASP 7 -3.640 7.647 -8.849 1.00 .00 ATOM 96 OD1 ASP 7 -2.904 8.498 -8.343 1.00 .00 OD2 ATOM 97 OD2 ASP 7 -3.587 7.374 -10.064 1.00 .00 OD1 ATOM 89 HN ASP 7 -5.579 5.387 -5.910 1.00 0.00 ATOM 91 HA ASP 7 -3.297 5.192 -7.739 1.00 0.00 ATOM 93 HB1 ASP 7 -5.099 7.587 -7.320 1.00 0.00 ATOM 94 HB2 ASP 7 -5.342 6.415 -8.615 1.00 0.00 ATOM 100 N PRO 8 -1.749 6.501 -6.158 1.00 .00 ATOM 101 CA PRO 8 -.903 7.140 -5.166 1.00 .00 ATOM 112 C PRO 8 -.654 8.642 -5.387 1.00 .00 ATOM 113 O PRO 8 .094 9.272 -4.627 1.00 .00 ATOM 103 CB PRO 8 .402 6.341 -5.212 1.00 .00 ATOM 106 CG PRO 8 .269 5.394 -6.384 1.00 .00 ATOM 109 CD PRO 8 -.948 5.819 -7.167 1.00 .00 ATOM 102 HA PRO 8 -1.350 7.046 -4.194 1.00 0.00 ATOM 104 HB1 PRO 8 0.525 5.801 -4.285 1.00 0.00 ATOM 105 HB2 PRO 8 1.228 7.024 -5.350 1.00 0.00 ATOM 107 HG1 PRO 8 0.143 4.386 -6.018 1.00 0.00 ATOM 108 HG2 PRO 8 1.149 5.448 -7.006 1.00 0.00 ATOM 110 HD1 PRO 8 -1.445 4.937 -7.540 1.00 0.00 ATOM 111 HD2 PRO 8 -0.671 6.480 -7.974 1.00 0.00 ATOM 114 N ASP 9 -1.245 9.212 -6.393 1.00 .00 ATOM 116 CA ASP 9 -1.110 10.644 -6.612 1.00 .00 ATOM 124 C ASP 9 -2.409 11.327 -6.242 1.00 .00 ATOM 125 O ASP 9 -2.424 12.448 -5.735 1.00 .00 ATOM 118 CB ASP 9 -.715 10.956 -8.059 1.00 .00 ATOM 121 CG ASP 9 -.467 12.432 -8.296 1.00 .00 ATOM 122 OD1 ASP 9 .637 12.923 -7.968 1.00 .00 ATOM 123 OD2 ASP 9 -1.350 13.120 -8.832 1.00 .00 ATOM 115 HN ASP 9 -1.795 8.685 -7.021 1.00 0.00 ATOM 117 HA ASP 9 -0.342 11.001 -5.941 1.00 0.00 ATOM 119 HB1 ASP 9 -1.507 10.629 -8.717 1.00 0.00 ATOM 120 HB2 ASP 9 0.185 10.412 -8.303 1.00 0.00 ATOM 126 N LEU 10 -3.498 10.622 -6.457 1.00 .00 ATOM 128 CA LEU 10 -4.816 11.115 -6.114 1.00 .00 ATOM 143 C LEU 10 -5.305 10.374 -4.907 1.00 .00 ATOM 144 O LEU 10 -5.200 9.159 -4.866 1.00 .00 ATOM 130 CB LEU 10 -5.854 10.916 -7.237 1.00 .00 ATOM 133 CG LEU 10 -5.717 11.721 -8.538 1.00 .00 ATOM 135 CD1 LEU 10 -4.485 11.335 -9.307 1.00 .00 ATOM 139 CD2 LEU 10 -6.959 11.551 -9.397 1.00 .00 ATOM 127 HN LEU 10 -3.407 9.720 -6.838 1.00 0.00 ATOM 129 HA LEU 10 -4.723 12.168 -5.897 1.00 0.00 ATOM 131 HB1 LEU 10 -6.806 11.142 -6.790 1.00 0.00 ATOM 132 HB2 LEU 10 -5.869 9.867 -7.484 1.00 0.00 ATOM 134 HG LEU 10 -5.634 12.769 -8.289 1.00 0.00 ATOM 136 HD11 LEU 10 -4.530 10.282 -9.541 1.00 0.00 ATOM 137 HD12 LEU 10 -3.620 11.542 -8.692 1.00 0.00 ATOM 138 HD13 LEU 10 -4.438 11.912 -10.217 1.00 0.00 ATOM 140 HD21 LEU 10 -6.844 12.123 -10.307 1.00 0.00 ATOM 141 HD22 LEU 10 -7.823 11.907 -8.855 1.00 0.00 ATOM 142 HD23 LEU 10 -7.090 10.507 -9.641 1.00 0.00 ATOM 145 N PRO 11 -5.860 11.070 -3.914 1.00 .00 ATOM 146 CA PRO 11 -6.355 10.431 -2.696 1.00 .00 ATOM 157 C PRO 11 -7.418 9.375 -2.986 1.00 .00 ATOM 158 O PRO 11 -8.561 9.694 -3.344 1.00 .00 ATOM 148 CB PRO 11 -6.926 11.575 -1.858 1.00 .00 ATOM 151 CG PRO 11 -6.354 12.823 -2.448 1.00 .00 ATOM 154 CD PRO 11 -6.054 12.526 -3.893 1.00 .00 ATOM 147 HA PRO 11 -5.558 9.939 -2.168 1.00 0.00 ATOM 149 HB1 PRO 11 -6.631 11.454 -0.826 1.00 0.00 ATOM 150 HB2 PRO 11 -8.004 11.557 -1.924 1.00 0.00 ATOM 152 HG1 PRO 11 -5.447 13.088 -1.924 1.00 0.00 ATOM 153 HG2 PRO 11 -7.070 13.628 -2.372 1.00 0.00 ATOM 155 HD1 PRO 11 -5.146 13.027 -4.191 1.00 0.00 ATOM 156 HD2 PRO 11 -6.863 12.808 -4.550 1.00 0.00 ATOM 159 N GLY 12 -6.998 8.111 -2.911 1.00 .00 ATOM 161 CA GLY 12 -7.893 6.995 -3.151 1.00 .00 ATOM 164 C GLY 12 -8.315 6.922 -4.582 1.00 .00 ATOM 165 O GLY 12 -9.345 6.335 -4.898 1.00 .00 ATOM 160 HN GLY 12 -6.052 7.954 -2.701 1.00 0.00 ATOM 162 HA1 GLY 12 -8.778 7.154 -2.553 1.00 0.00 ATOM 163 HA2 GLY 12 -7.457 6.054 -2.850 1.00 0.00 ATOM 166 N GLY 13 -7.531 7.558 -5.456 1.00 .00 ATOM 168 CA GLY 13 -7.877 7.633 -6.861 1.00 .00 ATOM 171 C GLY 13 -9.089 8.510 -7.069 1.00 .00 ATOM 172 O GLY 13 -9.681 8.540 -8.147 1.00 .00 ATOM 167 HN GLY 13 -6.706 7.988 -5.137 1.00 0.00 ATOM 169 HA1 GLY 13 -8.104 6.642 -7.224 1.00 0.00 ATOM 170 HA2 GLY 13 -7.051 8.042 -7.421 1.00 0.00 ATOM 173 N GLY 14 -9.461 9.233 -6.013 1.00 .00 ATOM 175 CA GLY 14 -10.646 10.038 -6.040 1.00 .00 ATOM 178 C GLY 14 -11.911 9.192 -5.986 1.00 .00 ATOM 179 O GLY 14 -13.013 9.704 -6.143 1.00 .00 ATOM 174 HN GLY 14 -8.907 9.225 -5.196 1.00 0.00 ATOM 176 HA1 GLY 14 -10.656 10.621 -6.949 1.00 0.00 ATOM 177 HA2 GLY 14 -10.624 10.705 -5.190 1.00 0.00 ATOM 180 N LEU 15 -11.743 7.897 -5.741 1.00 .00 ATOM 182 CA LEU 15 -12.830 6.944 -5.753 1.00 .00 ATOM 197 C LEU 15 -13.548 6.895 -4.414 1.00 .00 ATOM 198 O LEU 15 -14.660 6.380 -4.310 1.00 .00 ATOM 184 CB LEU 15 -12.276 5.565 -6.089 1.00 .00 ATOM 187 CG LEU 15 -11.535 5.439 -7.428 1.00 .00 ATOM 189 CD1 LEU 15 -10.993 4.036 -7.604 1.00 .00 ATOM 193 CD2 LEU 15 -12.444 5.802 -8.589 1.00 .00 ATOM 181 HN LEU 15 -10.850 7.533 -5.559 1.00 0.00 ATOM 183 HA LEU 15 -13.522 7.226 -6.529 1.00 0.00 ATOM 185 HB1 LEU 15 -13.103 4.877 -6.092 1.00 0.00 ATOM 186 HB2 LEU 15 -11.595 5.282 -5.300 1.00 0.00 ATOM 188 HG LEU 15 -10.697 6.120 -7.426 1.00 0.00 ATOM 190 HD11 LEU 15 -11.812 3.331 -7.588 1.00 0.00 ATOM 191 HD12 LEU 15 -10.305 3.814 -6.803 1.00 0.00 ATOM 192 HD13 LEU 15 -10.477 3.966 -8.550 1.00 0.00 ATOM 194 HD21 LEU 15 -12.782 6.822 -8.486 1.00 0.00 ATOM 195 HD22 LEU 15 -13.297 5.141 -8.593 1.00 0.00 ATOM 196 HD23 LEU 15 -11.897 5.695 -9.514 1.00 0.00 ATOM 199 N HIS 16 -12.923 7.434 -3.403 1.00 .00 ATOM 201 CA HIS 16 -13.481 7.426 -2.072 1.00 .00 ATOM 215 C HIS 16 -13.586 8.836 -1.621 1.00 .00 ATOM 216 O HIS 16 -12.584 9.452 -1.274 1.00 .00 ATOM 203 CB HIS 16 -12.600 6.652 -1.078 1.00 .00 ATOM 206 CG HIS 16 -12.292 5.238 -1.470 1.00 .00 ATOM 207 ND1 HIS 16 -13.134 4.198 -1.205 1.00 .00 ATOM 209 CD2 HIS 16 -11.209 4.695 -2.091 1.00 .00 ATOM 211 CE1 HIS 16 -12.603 3.075 -1.628 1.00 .00 ATOM 213 NE2 HIS 16 -11.436 3.345 -2.174 1.00 .00 ATOM 200 HN HIS 16 -12.078 7.898 -3.553 1.00 0.00 ATOM 202 HA HIS 16 -14.468 6.986 -2.098 1.00 0.00 ATOM 204 HB1 HIS 16 -13.126 6.621 -0.136 1.00 0.00 ATOM 205 HB2 HIS 16 -11.680 7.188 -0.912 1.00 0.00 ATOM 208 HD1 HIS 16 -14.018 4.276 -0.780 1.00 0.00 ATOM 210 HD2 HIS 16 -10.329 5.220 -2.443 1.00 0.00 ATOM 212 HE1 HIS 16 -13.049 2.100 -1.501 1.00 0.00 ATOM 214 HE2 HIS 16 -11.099 2.792 -2.914 1.00 0.00 ATOM 217 N ARG 17 -14.753 9.378 -1.691 1.00 .00 ATOM 219 CA ARG 17 -14.951 10.728 -1.302 1.00 .00 ATOM 239 C ARG 17 -16.281 10.935 -.640 1.00 .00 ATOM 240 O ARG 17 -17.221 10.170 -.831 1.00 .00 ATOM 221 CB ARG 17 -14.830 11.638 -2.513 1.00 .00 ATOM 224 CG ARG 17 -15.860 11.403 -3.603 1.00 .00 ATOM 227 CD ARG 17 -15.543 12.195 -4.859 1.00 .00 ATOM 230 NE ARG 17 -15.330 13.634 -4.608 1.00 .00 ATOM 232 CZ ARG 17 -15.483 14.596 -5.541 1.00 .00 ATOM 233 NH1 ARG 17 -16.009 14.298 -6.721 1.00 .00 ATOM 236 NH2 ARG 17 -15.114 15.849 -5.285 1.00 .00 ATOM 218 HN ARG 17 -15.515 8.868 -2.034 1.00 0.00 ATOM 220 HA ARG 17 -14.166 11.000 -0.614 1.00 0.00 ATOM 222 HB1 ARG 17 -13.832 11.569 -2.902 1.00 0.00 ATOM 223 HB2 ARG 17 -14.990 12.633 -2.128 1.00 0.00 ATOM 225 HG1 ARG 17 -16.831 11.697 -3.233 1.00 0.00 ATOM 226 HG2 ARG 17 -15.874 10.352 -3.849 1.00 0.00 ATOM 228 HD1 ARG 17 -16.373 12.081 -5.540 1.00 0.00 ATOM 229 HD2 ARG 17 -14.652 11.788 -5.314 1.00 0.00 ATOM 231 HE ARG 17 -14.999 13.852 -3.711 1.00 0.00 ATOM 234 HH11 ARG 17 -16.309 13.372 -6.967 1.00 0.00 ATOM 235 HH12 ARG 17 -16.139 14.986 -7.440 1.00 0.00 ATOM 237 HH21 ARG 17 -14.706 16.157 -4.419 1.00 0.00 ATOM 238 HH22 ARG 17 -15.231 16.579 -5.965 1.00 0.00 ATOM 241 N CYS 18 -16.340 11.954 .140 1.00 .00 ATOM 243 CA CYS 18 -17.573 12.375 .770 1.00 .00 ATOM 249 C CYS 18 -18.170 13.448 -.092 1.00 .00 ATOM 250 O CYS 18 -17.541 14.479 -.298 1.00 .00 ATOM 245 CB CYS 18 -17.324 12.894 2.211 1.00 .00 ATOM 248 SG CYS 18 -18.767 13.722 3.023 1.00 .00 ATOM 242 HN CYS 18 -15.496 12.448 0.238 1.00 0.00 ATOM 244 HA CYS 18 -18.241 11.526 0.795 1.00 0.00 ATOM 246 HB1 CYS 18 -16.470 13.546 2.208 1.00 0.00 ATOM 247 HB2 CYS 18 -17.044 12.041 2.814 1.00 0.00 ATOM 251 N LEU 19 -19.359 13.213 -.603 1.00 .00 ATOM 253 CA LEU 19 -20.023 14.156 -1.502 1.00 .00 ATOM 268 C LEU 19 -20.290 15.471 -.794 1.00 .00 ATOM 269 O LEU 19 -20.138 16.543 -1.367 1.00 .00 ATOM 255 CB LEU 19 -21.332 13.564 -2.028 1.00 .00 ATOM 258 CG LEU 19 -21.221 12.271 -2.824 1.00 .00 ATOM 260 CD1 LEU 19 -22.596 11.785 -3.254 1.00 .00 ATOM 264 CD2 LEU 19 -20.300 12.434 -4.030 1.00 .00 ATOM 252 HN LEU 19 -19.827 12.380 -0.369 1.00 0.00 ATOM 254 HA LEU 19 -19.362 14.347 -2.335 1.00 0.00 ATOM 256 HB1 LEU 19 -21.804 14.291 -2.661 1.00 0.00 ATOM 257 HB2 LEU 19 -21.988 13.381 -1.190 1.00 0.00 ATOM 259 HG LEU 19 -20.789 11.549 -2.157 1.00 0.00 ATOM 261 HD11 LEU 19 -23.070 12.535 -3.870 1.00 0.00 ATOM 262 HD12 LEU 19 -23.202 11.598 -2.381 1.00 0.00 ATOM 263 HD13 LEU 19 -22.494 10.870 -3.819 1.00 0.00 ATOM 265 HD21 LEU 19 -20.262 11.505 -4.581 1.00 0.00 ATOM 266 HD22 LEU 19 -19.307 12.691 -3.693 1.00 0.00 ATOM 267 HD23 LEU 19 -20.675 13.218 -4.671 1.00 0.00 ATOM 270 N ALA 20 -20.640 15.374 .471 1.00 .00 ATOM 272 CA ALA 20 -20.921 16.540 1.295 1.00 .00 ATOM 278 C ALA 20 -19.661 17.384 1.549 1.00 .00 ATOM 279 O ALA 20 -19.753 18.531 1.952 1.00 .00 ATOM 274 CB ALA 20 -21.560 16.120 2.612 1.00 .00 ATOM 271 HN ALA 20 -20.724 14.471 0.844 1.00 0.00 ATOM 273 HA ALA 20 -21.632 17.151 0.757 1.00 0.00 ATOM 275 HB1 ALA 20 -22.441 15.528 2.413 1.00 0.00 ATOM 276 HB2 ALA 20 -21.835 17.000 3.175 1.00 0.00 ATOM 277 HB3 ALA 20 -20.854 15.537 3.185 1.00 0.00 ATOM 280 N CYS 21 -18.487 16.808 1.330 1.00 .00 ATOM 282 CA CYS 21 -17.257 17.550 1.547 1.00 .00 ATOM 288 C CYS 21 -16.451 17.758 .277 1.00 .00 ATOM 289 O CYS 21 -15.545 18.592 .245 1.00 .00 ATOM 284 CB CYS 21 -16.422 16.953 2.693 1.00 .00 ATOM 287 SG CYS 21 -17.263 17.044 4.213 1.00 .00 ATOM 281 HN CYS 21 -18.469 15.881 1.013 1.00 0.00 ATOM 283 HA CYS 21 -17.578 18.535 1.853 1.00 0.00 ATOM 285 HB1 CYS 21 -15.537 17.551 2.844 1.00 0.00 ATOM 286 HB2 CYS 21 -16.175 15.900 2.679 1.00 0.00 ATOM 290 N ALA 22 -16.793 16.997 -.760 1.00 .00 ATOM 292 CA ALA 22 -16.150 17.051 -2.076 1.00 .00 ATOM 298 C ALA 22 -14.656 16.692 -2.005 1.00 .00 ATOM 299 O ALA 22 -13.925 16.859 -2.975 1.00 .00 ATOM 294 CB ALA 22 -16.362 18.416 -2.739 1.00 .00 ATOM 291 HN ALA 22 -17.520 16.347 -0.655 1.00 0.00 ATOM 293 HA ALA 22 -16.646 16.302 -2.678 1.00 0.00 ATOM 295 HB1 ALA 22 -17.419 18.639 -2.773 1.00 0.00 ATOM 296 HB2 ALA 22 -15.965 18.394 -3.743 1.00 0.00 ATOM 297 HB3 ALA 22 -15.851 19.176 -2.167 1.00 0.00 ATOM 300 N ARG 23 -14.238 16.128 -.892 1.00 .00 ATOM 302 CA ARG 23 -12.839 15.803 -.671 1.00 .00 ATOM 322 C ARG 23 -12.638 14.327 -.823 1.00 .00 ATOM 323 O ARG 23 -13.565 13.547 -.581 1.00 .00 ATOM 304 CB ARG 23 -12.388 16.246 .721 1.00 .00 ATOM 307 CG ARG 23 -12.496 17.738 .959 1.00 .00 ATOM 310 CD ARG 23 -12.044 18.104 2.350 1.00 .00 ATOM 313 NE ARG 23 -12.180 19.534 2.613 1.00 .00 ATOM 315 CZ ARG 23 -11.844 20.125 3.758 1.00 .00 ATOM 316 NH1 ARG 23 -11.378 19.398 4.774 1.00 .00 ATOM 319 NH2 ARG 23 -11.990 21.433 3.895 1.00 .00 ATOM 301 HN ARG 23 -14.893 15.909 -0.201 1.00 0.00 ATOM 303 HA ARG 23 -12.256 16.323 -1.415 1.00 0.00 ATOM 305 HB1 ARG 23 -11.358 15.950 0.856 1.00 0.00 ATOM 306 HB2 ARG 23 -12.998 15.741 1.455 1.00 0.00 ATOM 308 HG1 ARG 23 -13.524 18.044 0.826 1.00 0.00 ATOM 309 HG2 ARG 23 -11.868 18.252 0.247 1.00 0.00 ATOM 311 HD1 ARG 23 -11.008 17.825 2.468 1.00 0.00 ATOM 312 HD2 ARG 23 -12.645 17.567 3.067 1.00 0.00 ATOM 314 HE ARG 23 -12.543 20.054 1.861 1.00 0.00 ATOM 317 HH11 ARG 23 -11.271 18.403 4.710 1.00 0.00 ATOM 318 HH12 ARG 23 -11.105 19.815 5.644 1.00 0.00 ATOM 320 HH21 ARG 23 -12.353 22.023 3.168 1.00 0.00 ATOM 321 HH22 ARG 23 -11.731 21.905 4.740 1.00 0.00 ATOM 324 N TYR 24 -11.444 13.945 -1.205 1.00 .00 ATOM 326 CA TYR 24 -11.121 12.599 -1.494 1.00 .00 ATOM 343 C TYR 24 -10.308 12.018 -.347 1.00 .00 ATOM 344 O TYR 24 -9.575 12.748 .337 1.00 .00 ATOM 328 CB TYR 24 -10.245 12.579 -2.731 1.00 .00 ATOM 331 CG TYR 24 -10.768 13.327 -3.937 1.00 .00 ATOM 332 CD1 TYR 24 -11.762 12.808 -4.742 1.00 .00 CD2 ATOM 334 CD2 TYR 24 -10.239 14.559 -4.272 1.00 .00 CD1 ATOM 336 CE1 TYR 24 -12.214 13.501 -5.849 1.00 .00 CE2 ATOM 338 CE2 TYR 24 -10.680 15.253 -5.370 1.00 .00 CE1 ATOM 340 CZ TYR 24 -11.663 14.724 -6.156 1.00 .00 ATOM 341 OH TYR 24 -12.096 15.416 -7.260 1.00 .00 ATOM 325 HN TYR 24 -10.695 14.566 -1.324 1.00 0.00 ATOM 327 HA TYR 24 -12.011 12.021 -1.693 1.00 0.00 ATOM 329 HB1 TYR 24 -10.088 11.553 -2.998 1.00 0.00 ATOM 330 HB2 TYR 24 -9.297 13.027 -2.476 1.00 0.00 ATOM 333 HD1 TYR 24 -9.459 14.979 -3.655 1.00 0.00 ATOM 335 HD2 TYR 24 -12.190 11.848 -4.496 1.00 0.00 ATOM 337 HE1 TYR 24 -10.250 16.214 -5.608 1.00 0.00 ATOM 339 HE2 TYR 24 -12.991 13.080 -6.470 1.00 0.00 ATOM 342 HH TYR 24 -11.299 15.696 -7.730 1.00 0.00 ATOM 345 N PHE 25 -10.432 10.730 -.141 1.00 .00 ATOM 347 CA PHE 25 -9.702 10.029 .893 1.00 .00 ATOM 363 C PHE 25 -9.021 8.829 .271 1.00 .00 ATOM 364 O PHE 25 -9.565 8.229 -.659 1.00 .00 ATOM 349 CB PHE 25 -10.639 9.561 2.008 1.00 .00 ATOM 352 CG PHE 25 -11.420 10.666 2.673 1.00 .00 ATOM 353 CD1 PHE 25 -12.578 11.156 2.093 1.00 .00 ATOM 355 CD2 PHE 25 -11.002 11.207 3.875 1.00 .00 ATOM 357 CE1 PHE 25 -13.303 12.157 2.692 1.00 .00 ATOM 359 CE2 PHE 25 -11.728 12.215 4.480 1.00 .00 ATOM 361 CZ PHE 25 -12.882 12.686 3.881 1.00 .00 ATOM 346 HN PHE 25 -11.042 10.200 -0.705 1.00 0.00 ATOM 348 HA PHE 25 -8.968 10.708 1.293 1.00 0.00 ATOM 350 HB1 PHE 25 -10.050 9.061 2.764 1.00 0.00 ATOM 351 HB2 PHE 25 -11.331 8.846 1.590 1.00 0.00 ATOM 354 HD1 PHE 25 -12.910 10.738 1.154 1.00 0.00 ATOM 356 HD2 PHE 25 -10.101 10.838 4.341 1.00 0.00 ATOM 358 HE1 PHE 25 -14.204 12.527 2.226 1.00 0.00 ATOM 360 HE2 PHE 25 -11.396 12.634 5.419 1.00 0.00 ATOM 362 HZ PHE 25 -13.466 13.467 4.341 1.00 0.00 ATOM 365 N ILE 26 -7.849 8.474 .779 1.00 .00 ATOM 367 CA ILE 26 -7.060 7.395 .230 1.00 .00 ATOM 382 C ILE 26 -7.755 6.025 .279 1.00 .00 ATOM 383 O ILE 26 -7.642 5.234 -.652 1.00 .00 ATOM 369 CB ILE 26 -5.625 7.300 .830 1.00 .00 ATOM 371 CG1 ILE 26 -5.579 6.956 2.349 1.00 .00 ATOM 374 CG2 ILE 26 -4.834 8.563 .534 1.00 .00 ATOM 378 CD1 ILE 26 -6.118 8.011 3.286 1.00 .00 ATOM 366 HN ILE 26 -7.468 8.953 1.542 1.00 0.00 ATOM 368 HA ILE 26 -6.953 7.634 -0.819 1.00 0.00 ATOM 370 HB ILE 26 -5.167 6.505 0.274 1.00 0.00 ATOM 379 HD11 ILE 26 -7.163 8.181 3.078 1.00 0.00 ATOM 380 HD12 ILE 26 -5.564 8.927 3.143 1.00 0.00 ATOM 381 HD13 ILE 26 -6.001 7.678 4.306 1.00 0.00 ATOM 384 N ASP 27 -8.483 5.760 1.334 1.00 .00 ATOM 386 CA ASP 27 -9.168 4.483 1.458 1.00 .00 ATOM 394 C ASP 27 -10.527 4.710 2.061 1.00 .00 ATOM 395 O ASP 27 -10.727 5.709 2.774 1.00 .00 ATOM 388 CB ASP 27 -8.336 3.491 2.302 1.00 .00 ATOM 391 CG ASP 27 -9.013 2.142 2.496 1.00 .00 ATOM 392 OD1 ASP 27 -8.876 1.248 1.648 1.00 .00 OD2 ATOM 393 OD2 ASP 27 -9.697 1.964 3.511 1.00 .00 OD1 ATOM 385 HN ASP 27 -8.586 6.437 2.039 1.00 0.00 ATOM 387 HA ASP 27 -9.296 4.084 0.463 1.00 0.00 ATOM 389 HB1 ASP 27 -8.154 3.928 3.272 1.00 0.00 ATOM 390 HB2 ASP 27 -7.390 3.323 1.809 1.00 0.00 ATOM 396 N SER 28 -11.457 3.812 1.790 1.00 .00 ATOM 398 CA SER 28 -12.818 3.939 2.259 1.00 .00 ATOM 405 C SER 28 -12.873 3.958 3.786 1.00 .00 ATOM 406 O SER 28 -13.738 4.582 4.348 1.00 .00 ATOM 400 CB SER 28 -13.693 2.808 1.679 1.00 .00 ATOM 403 OG SER 28 -15.056 2.968 2.027 1.00 .00 ATOM 397 HN SER 28 -11.225 3.015 1.262 1.00 0.00 ATOM 399 HA SER 28 -13.205 4.887 1.905 1.00 0.00 ATOM 401 HB1 SER 28 -13.346 1.830 1.975 1.00 0.00 ATOM 402 HB2 SER 28 -13.624 2.873 0.603 1.00 0.00 ATOM 404 HG SER 28 -15.241 2.511 2.858 1.00 0.00 ATOM 407 N THR 29 -11.915 3.306 4.443 1.00 .00 ATOM 409 CA THR 29 -11.860 3.287 5.897 1.00 .00 ATOM 419 C THR 29 -11.664 4.715 6.441 1.00 .00 ATOM 420 O THR 29 -12.270 5.106 7.439 1.00 .00 ATOM 411 CB THR 29 -10.713 2.391 6.372 1.00 .00 ATOM 413 OG1 THR 29 -10.837 1.106 5.742 1.00 .00 ATOM 415 CG2 THR 29 -10.727 2.218 7.887 1.00 .00 ATOM 408 HN THR 29 -11.218 2.803 3.959 1.00 0.00 ATOM 410 HA THR 29 -12.789 2.891 6.269 1.00 0.00 ATOM 412 HB THR 29 -9.808 2.883 6.067 1.00 0.00 ATOM 414 HG1 THR 29 -10.414 1.205 4.872 1.00 0.00 ATOM 421 N ASN 30 -10.854 5.495 5.741 1.00 .00 ATOM 423 CA ASN 30 -10.570 6.856 6.104 1.00 .00 ATOM 433 C ASN 30 -11.770 7.738 5.855 1.00 .00 ATOM 434 O ASN 30 -12.082 8.634 6.645 1.00 .00 ATOM 425 CB ASN 30 -9.350 7.343 5.333 1.00 .00 ATOM 428 CG ASN 30 -8.044 6.796 5.871 1.00 .00 ATOM 429 OD1 ASN 30 -7.431 7.383 6.759 1.00 .00 ATOM 430 ND2 ASN 30 -7.596 5.690 5.338 1.00 .00 ATOM 422 HN ASN 30 -10.421 5.182 4.922 1.00 0.00 ATOM 424 HA ASN 30 -10.344 6.879 7.158 1.00 0.00 ATOM 426 HB1 ASN 30 -9.311 8.409 5.257 1.00 0.00 ATOM 427 HB2 ASN 30 -9.462 6.958 4.328 1.00 0.00 ATOM 431 HD21 ASN 30 -8.085 5.241 4.622 1.00 0.00 ATOM 432 HD22 ASN 30 -6.751 5.330 5.685 1.00 0.00 ATOM 435 N LEU 31 -12.453 7.459 4.777 1.00 .00 ATOM 437 CA LEU 31 -13.664 8.156 4.424 1.00 .00 ATOM 452 C LEU 31 -14.777 7.825 5.431 1.00 .00 ATOM 453 O LEU 31 -15.456 8.706 5.937 1.00 .00 ATOM 439 CB LEU 31 -14.021 7.816 2.946 1.00 .00 ATOM 442 CG LEU 31 -15.373 8.262 2.383 1.00 .00 ATOM 444 CD1 LEU 31 -16.478 7.324 2.782 1.00 .00 ATOM 448 CD2 LEU 31 -15.682 9.685 2.793 1.00 .00 ATOM 436 HN LEU 31 -12.128 6.744 4.190 1.00 0.00 ATOM 438 HA LEU 31 -13.452 9.213 4.499 1.00 0.00 ATOM 440 HB1 LEU 31 -13.950 6.743 2.844 1.00 0.00 ATOM 441 HB2 LEU 31 -13.259 8.254 2.319 1.00 0.00 ATOM 443 HG LEU 31 -15.383 8.229 1.315 1.00 0.00 ATOM 445 HD11 LEU 31 -17.416 7.677 2.378 1.00 0.00 ATOM 446 HD12 LEU 31 -16.528 7.280 3.859 1.00 0.00 ATOM 447 HD13 LEU 31 -16.270 6.337 2.399 1.00 0.00 ATOM 449 HD21 LEU 31 -15.762 9.743 3.869 1.00 0.00 ATOM 450 HD22 LEU 31 -16.603 10.003 2.329 1.00 0.00 ATOM 451 HD23 LEU 31 -14.883 10.329 2.460 1.00 0.00 ATOM 454 N LYS 32 -14.933 6.570 5.688 1.00 .00 ATOM 456 CA LYS 32 -15.881 6.047 6.685 1.00 .00 ATOM 474 C LYS 32 -15.634 6.667 8.077 1.00 .00 ATOM 475 O LYS 32 -16.578 7.065 8.762 1.00 .00 ATOM 458 CB LYS 32 -15.746 4.521 6.735 1.00 .00 ATOM 461 CG LYS 32 -16.647 3.806 7.715 1.00 .00 ATOM 464 CD LYS 32 -16.402 2.306 7.654 1.00 .00 ATOM 467 CE LYS 32 -17.292 1.557 8.617 1.00 .00 ATOM 470 NZ LYS 32 -17.099 .094 8.533 1.00 .00 ATOM 455 HN LYS 32 -14.404 5.960 5.125 1.00 0.00 ATOM 457 HA LYS 32 -16.887 6.307 6.393 1.00 0.00 ATOM 459 HB1 LYS 32 -14.720 4.286 6.980 1.00 0.00 ATOM 460 HB2 LYS 32 -15.958 4.126 5.753 1.00 0.00 ATOM 462 HG1 LYS 32 -17.677 4.007 7.460 1.00 0.00 ATOM 463 HG2 LYS 32 -16.438 4.165 8.712 1.00 0.00 ATOM 465 HD1 LYS 32 -15.369 2.107 7.900 1.00 0.00 ATOM 466 HD2 LYS 32 -16.604 1.958 6.652 1.00 0.00 ATOM 468 HE1 LYS 32 -18.317 1.795 8.378 1.00 0.00 ATOM 469 HE2 LYS 32 -17.065 1.884 9.620 1.00 0.00 ATOM 471 HZ1 LYS 32 -17.721 -0.395 9.206 1.00 0.00 ATOM 472 HZ2 LYS 32 -16.121 -0.166 8.766 1.00 0.00 ATOM 473 HZ3 LYS 32 -17.310 -0.257 7.578 1.00 0.00 ATOM 476 N THR 33 -14.365 6.766 8.470 1.00 .00 ATOM 478 CA THR 33 -13.994 7.379 9.745 1.00 .00 ATOM 488 C THR 33 -14.404 8.862 9.768 1.00 .00 ATOM 489 O THR 33 -14.744 9.419 10.811 1.00 .00 ATOM 480 CB THR 33 -12.489 7.227 10.009 1.00 .00 ATOM 482 OG1 THR 33 -12.146 5.829 9.979 1.00 .00 ATOM 484 CG2 THR 33 -12.085 7.811 11.362 1.00 .00 ATOM 477 HN THR 33 -13.664 6.405 7.885 1.00 0.00 ATOM 479 HA THR 33 -14.534 6.864 10.520 1.00 0.00 ATOM 481 HB THR 33 -12.000 7.762 9.218 1.00 0.00 ATOM 483 HG1 THR 33 -12.201 5.526 9.062 1.00 0.00 ATOM 490 N HIS 34 -14.402 9.469 8.595 1.00 .00 ATOM 492 CA HIS 34 -14.798 10.852 8.422 1.00 .00 ATOM 505 C HIS 34 -16.250 11.103 8.839 1.00 .00 ATOM 506 O HIS 34 -16.573 12.188 9.316 1.00 .00 ATOM 494 CB HIS 34 -14.509 11.334 6.968 1.00 .00 ATOM 497 CG HIS 34 -15.214 12.595 6.562 1.00 .00 ATOM 498 ND1 HIS 34 -14.915 13.842 7.053 1.00 .00 ATOM 500 CD2 HIS 34 -16.271 12.768 5.742 1.00 .00 ATOM 502 CE1 HIS 34 -15.775 14.705 6.550 1.00 .00 ATOM 504 NE2 HIS 34 -16.582 14.082 5.768 1.00 .00 ATOM 491 HN HIS 34 -14.136 8.951 7.807 1.00 0.00 ATOM 493 HA HIS 34 -14.178 11.429 9.091 1.00 0.00 ATOM 495 HB1 HIS 34 -14.808 10.552 6.284 1.00 0.00 ATOM 496 HB2 HIS 34 -13.450 11.508 6.850 1.00 0.00 ATOM 499 HD1 HIS 34 -14.193 14.075 7.678 1.00 0.00 ATOM 501 HD2 HIS 34 -16.775 12.005 5.165 1.00 0.00 ATOM 503 HE1 HIS 34 -15.940 15.765 6.692 1.00 0.00 ATOM 507 N PHE 35 -17.125 10.118 8.695 1.00 .00 ATOM 509 CA PHE 35 -18.510 10.372 9.061 1.00 .00 ATOM 525 C PHE 35 -18.751 10.018 10.520 1.00 .00 ATOM 526 O PHE 35 -19.878 9.950 10.970 1.00 .00 ATOM 511 CB PHE 35 -19.505 9.622 8.196 1.00 .00 ATOM 514 CG PHE 35 -19.232 9.661 6.739 1.00 .00 ATOM 515 CD1 PHE 35 -19.253 10.847 6.032 1.00 .00 CD2 ATOM 517 CD2 PHE 35 -18.946 8.501 6.079 1.00 .00 CD1 ATOM 519 CE1 PHE 35 -18.989 10.862 4.681 1.00 .00 CE2 ATOM 521 CE2 PHE 35 -18.680 8.499 4.748 1.00 .00 CE1 ATOM 523 CZ PHE 35 -18.697 9.669 4.029 1.00 .00 ATOM 508 HN PHE 35 -16.859 9.229 8.359 1.00 0.00 ATOM 510 HA PHE 35 -18.672 11.434 8.948 1.00 0.00 ATOM 512 HB1 PHE 35 -20.427 10.166 8.348 1.00 0.00 ATOM 513 HB2 PHE 35 -19.613 8.598 8.509 1.00 0.00 ATOM 516 HD1 PHE 35 -18.929 7.573 6.631 1.00 0.00 ATOM 518 HD2 PHE 35 -19.479 11.768 6.549 1.00 0.00 ATOM 520 HE1 PHE 35 -18.460 7.564 4.257 1.00 0.00 ATOM 522 HE2 PHE 35 -19.016 11.813 4.162 1.00 0.00 ATOM 524 HZ PHE 35 -18.451 9.601 2.972 1.00 0.00 ATOM 527 N ARG 36 -17.690 9.801 11.268 1.00 .00 ATOM 529 CA ARG 36 -17.828 9.551 12.693 1.00 .00 ATOM 549 C ARG 36 -17.916 10.863 13.463 1.00 .00 ATOM 550 O ARG 36 -17.867 10.906 14.696 1.00 .00 ATOM 531 CB ARG 36 -16.747 8.604 13.208 1.00 .00 ATOM 534 CG ARG 36 -16.917 7.208 12.636 1.00 .00 ATOM 537 CD ARG 36 -15.882 6.223 13.127 1.00 .00 ATOM 540 NE ARG 36 -16.182 4.866 12.629 1.00 .00 ATOM 542 CZ ARG 36 -15.469 3.762 12.889 1.00 .00 ATOM 543 NH1 ARG 36 -14.327 3.841 13.557 1.00 .00 ATOM 546 NH2 ARG 36 -15.905 2.578 12.467 1.00 .00 ATOM 528 HN ARG 36 -16.794 9.800 10.863 1.00 0.00 ATOM 530 HA ARG 36 -18.795 9.080 12.802 1.00 0.00 ATOM 532 HB1 ARG 36 -16.810 8.545 14.284 1.00 0.00 ATOM 533 HB2 ARG 36 -15.778 8.986 12.923 1.00 0.00 ATOM 535 HG1 ARG 36 -16.868 7.272 11.558 1.00 0.00 ATOM 536 HG2 ARG 36 -17.892 6.838 12.915 1.00 0.00 ATOM 538 HD1 ARG 36 -15.890 6.201 14.206 1.00 0.00 ATOM 539 HD2 ARG 36 -14.905 6.524 12.778 1.00 0.00 ATOM 541 HE ARG 36 -17.009 4.816 12.095 1.00 0.00 ATOM 544 HH11 ARG 36 -13.952 4.709 13.892 1.00 0.00 ATOM 545 HH12 ARG 36 -13.777 3.031 13.781 1.00 0.00 ATOM 547 HH21 ARG 36 -16.764 2.463 11.957 1.00 0.00 ATOM 548 HH22 ARG 36 -15.388 1.735 12.651 1.00 0.00 ATOM 551 N SER 37 -18.077 11.919 12.702 1.00 .00 ATOM 553 CA SER 37 -18.327 13.218 13.197 1.00 .00 ATOM 560 C SER 37 -19.853 13.432 13.131 1.00 .00 ATOM 561 O SER 37 -20.435 13.525 12.037 1.00 .00 ATOM 555 CB SER 37 -17.576 14.245 12.330 1.00 .00 ATOM 558 OG SER 37 -17.693 15.558 12.841 1.00 .00 ATOM 552 HN SER 37 -18.028 11.790 11.734 1.00 0.00 ATOM 554 HA SER 37 -17.985 13.269 14.217 1.00 0.00 ATOM 556 HB1 SER 37 -17.980 14.220 11.328 1.00 0.00 ATOM 557 HB2 SER 37 -16.529 13.985 12.298 1.00 0.00 ATOM 559 HG SER 37 -17.472 15.524 13.780 1.00 0.00 ATOM 562 N LYS 38 -20.489 13.466 14.293 1.00 .00 ATOM 564 CA LYS 38 -21.942 13.554 14.399 1.00 .00 ATOM 582 C LYS 38 -22.532 14.798 13.784 1.00 .00 ATOM 583 O LYS 38 -23.549 14.724 13.097 1.00 .00 ATOM 566 CB LYS 38 -22.389 13.451 15.826 1.00 .00 ATOM 569 CG LYS 38 -22.136 12.109 16.502 1.00 .00 ATOM 572 CD LYS 38 -22.859 10.957 15.793 1.00 .00 ATOM 575 CE LYS 38 -24.380 11.166 15.719 1.00 .00 ATOM 578 NZ LYS 38 -25.004 11.303 17.053 1.00 .00 ATOM 563 HN LYS 38 -19.949 13.435 15.113 1.00 0.00 ATOM 565 HA LYS 38 -22.340 12.700 13.889 1.00 0.00 ATOM 567 HB1 LYS 38 -23.430 13.725 15.907 1.00 0.00 ATOM 568 HB2 LYS 38 -21.774 14.188 16.300 1.00 0.00 ATOM 570 HG1 LYS 38 -22.477 12.161 17.525 1.00 0.00 ATOM 571 HG2 LYS 38 -21.076 11.910 16.488 1.00 0.00 ATOM 573 HD1 LYS 38 -22.658 10.052 16.347 1.00 0.00 ATOM 574 HD2 LYS 38 -22.470 10.848 14.792 1.00 0.00 ATOM 576 HE1 LYS 38 -24.813 10.313 15.217 1.00 0.00 ATOM 577 HE2 LYS 38 -24.592 12.055 15.144 1.00 0.00 ATOM 579 HZ1 LYS 38 -26.037 11.379 16.969 1.00 0.00 ATOM 580 HZ2 LYS 38 -24.660 12.145 17.560 1.00 0.00 ATOM 581 HZ3 LYS 38 -24.793 10.476 17.649 1.00 0.00 ATOM 584 N ASP 39 -21.883 15.929 14.011 1.00 .00 ATOM 586 CA ASP 39 -22.376 17.252 13.560 1.00 .00 ATOM 594 C ASP 39 -22.589 17.282 12.058 1.00 .00 ATOM 595 O ASP 39 -23.486 17.948 11.547 1.00 .00 ATOM 588 CB ASP 39 -21.375 18.328 13.940 1.00 .00 ATOM 591 CG ASP 39 -21.859 19.729 13.631 1.00 .00 ATOM 592 OD1 ASP 39 -22.583 20.306 14.469 1.00 .00 OD2 ATOM 593 OD2 ASP 39 -21.503 20.285 12.563 1.00 .00 OD1 ATOM 585 HN ASP 39 -21.036 15.879 14.505 1.00 0.00 ATOM 587 HA ASP 39 -23.310 17.457 14.061 1.00 0.00 ATOM 589 HB1 ASP 39 -20.471 18.148 13.377 1.00 0.00 ATOM 590 HB2 ASP 39 -21.150 18.243 14.990 1.00 0.00 ATOM 596 N HIS 40 -21.779 16.532 11.375 1.00 .00 ATOM 598 CA HIS 40 -21.814 16.450 9.924 1.00 .00 ATOM 611 C HIS 40 -23.068 15.809 9.473 1.00 .00 ATOM 612 O HIS 40 -23.826 16.377 8.715 1.00 .00 ATOM 600 CB HIS 40 -20.651 15.613 9.445 1.00 .00 ATOM 603 CG HIS 40 -20.427 15.557 8.007 1.00 .00 ATOM 604 ND1 HIS 40 -20.767 16.612 7.194 1.00 .00 ATOM 606 CD2 HIS 40 -19.582 14.812 7.367 1.00 .00 ATOM 608 CE1 HIS 40 -20.080 16.531 6.112 1.00 .00 ATOM 610 NE2 HIS 40 -19.339 15.463 6.175 1.00 .00 ATOM 597 HN HIS 40 -21.127 16.016 11.896 1.00 0.00 ATOM 599 HA HIS 40 -21.769 17.426 9.474 1.00 0.00 ATOM 601 HB1 HIS 40 -20.721 14.590 9.780 1.00 0.00 ATOM 602 HB2 HIS 40 -19.692 16.021 9.749 1.00 0.00 ATOM 605 HD1 HIS 40 -21.406 17.336 7.381 1.00 0.00 ATOM 607 HD2 HIS 40 -19.374 13.808 7.738 1.00 0.00 ATOM 609 HE1 HIS 40 -20.100 17.196 5.263 1.00 0.00 ATOM 613 N LYS 41 -23.281 14.644 9.957 1.00 .00 ATOM 615 CA LYS 41 -24.393 13.859 9.571 1.00 .00 ATOM 633 C LYS 41 -25.671 14.521 10.070 1.00 .00 ATOM 634 O LYS 41 -26.739 14.389 9.466 1.00 .00 ATOM 617 CB LYS 41 -24.196 12.460 10.080 1.00 .00 ATOM 620 CG LYS 41 -22.838 11.855 9.638 1.00 .00 ATOM 623 CD LYS 41 -22.691 10.428 10.144 1.00 .00 ATOM 626 CE LYS 41 -23.784 9.515 9.621 1.00 .00 ATOM 629 NZ LYS 41 -23.618 8.126 10.089 1.00 .00 ATOM 614 HN LYS 41 -22.656 14.296 10.627 1.00 0.00 ATOM 616 HA LYS 41 -24.418 13.848 8.492 1.00 0.00 ATOM 618 HB1 LYS 41 -24.986 11.839 9.686 1.00 0.00 ATOM 619 HB2 LYS 41 -24.244 12.469 11.160 1.00 0.00 ATOM 621 HG1 LYS 41 -22.032 12.441 10.060 1.00 0.00 ATOM 622 HG2 LYS 41 -22.649 11.943 8.574 1.00 0.00 ATOM 624 HD1 LYS 41 -22.740 10.448 11.223 1.00 0.00 ATOM 625 HD2 LYS 41 -21.732 10.033 9.844 1.00 0.00 ATOM 627 HE1 LYS 41 -23.751 9.530 8.543 1.00 0.00 ATOM 628 HE2 LYS 41 -24.742 9.878 9.960 1.00 0.00 ATOM 630 HZ1 LYS 41 -24.398 7.535 9.741 1.00 0.00 ATOM 631 HZ2 LYS 41 -23.619 8.055 11.126 1.00 0.00 ATOM 632 HZ3 LYS 41 -22.734 7.712 9.739 1.00 0.00 ATOM 635 N LYS 42 -25.528 15.245 11.169 1.00 .00 ATOM 637 CA LYS 42 -26.564 16.093 11.706 1.00 .00 ATOM 655 C LYS 42 -26.963 17.168 10.688 1.00 .00 ATOM 656 O LYS 42 -28.159 17.402 10.468 1.00 .00 ATOM 639 CB LYS 42 -26.076 16.771 12.981 1.00 .00 ATOM 642 CG LYS 42 -27.014 17.830 13.506 1.00 .00 ATOM 645 CD LYS 42 -28.317 17.250 14.038 1.00 .00 ATOM 648 CE LYS 42 -29.244 18.352 14.532 1.00 .00 ATOM 651 NZ LYS 42 -28.611 19.190 15.570 1.00 .00 ATOM 636 HN LYS 42 -24.671 15.190 11.648 1.00 0.00 ATOM 638 HA LYS 42 -27.422 15.485 11.940 1.00 0.00 ATOM 640 HB1 LYS 42 -25.121 17.233 12.778 1.00 0.00 ATOM 641 HB2 LYS 42 -25.945 16.021 13.747 1.00 0.00 ATOM 643 HG1 LYS 42 -27.227 18.426 12.627 1.00 0.00 ATOM 644 HG2 LYS 42 -26.523 18.427 14.258 1.00 0.00 ATOM 646 HD1 LYS 42 -28.096 16.580 14.855 1.00 0.00 ATOM 647 HD2 LYS 42 -28.810 16.708 13.245 1.00 0.00 ATOM 649 HE1 LYS 42 -30.133 17.896 14.944 1.00 0.00 ATOM 650 HE2 LYS 42 -29.517 18.982 13.700 1.00 0.00 ATOM 652 HZ1 LYS 42 -29.258 19.934 15.900 1.00 0.00 ATOM 653 HZ2 LYS 42 -27.746 19.661 15.241 1.00 0.00 ATOM 654 HZ3 LYS 42 -28.366 18.619 16.402 1.00 0.00 ATOM 657 N ARG 43 -25.963 17.818 10.057 1.00 .00 ATOM 659 CA ARG 43 -26.232 18.858 9.079 1.00 .00 ATOM 679 C ARG 43 -27.035 18.272 7.928 1.00 .00 ATOM 680 O ARG 43 -27.893 18.922 7.344 1.00 .00 ATOM 661 CB ARG 43 -24.920 19.426 8.549 1.00 .00 ATOM 664 CG ARG 43 -25.089 20.636 7.653 1.00 .00 ATOM 667 CD ARG 43 -25.680 21.784 8.438 1.00 .00 ATOM 670 NE ARG 43 -24.792 22.189 9.527 1.00 .00 ATOM 672 CZ ARG 43 -25.167 22.421 10.782 1.00 .00 ATOM 673 NH1 ARG 43 -26.447 22.359 11.133 1.00 .00 ATOM 676 NH2 ARG 43 -24.256 22.734 11.680 1.00 .00 ATOM 658 HN ARG 43 -25.008 17.633 10.233 1.00 0.00 ATOM 660 HA ARG 43 -26.795 19.642 9.562 1.00 0.00 ATOM 662 HB1 ARG 43 -24.415 18.653 7.989 1.00 0.00 ATOM 663 HB2 ARG 43 -24.303 19.712 9.387 1.00 0.00 ATOM 665 HG1 ARG 43 -25.753 20.382 6.840 1.00 0.00 ATOM 666 HG2 ARG 43 -24.126 20.931 7.265 1.00 0.00 ATOM 668 HD1 ARG 43 -26.638 21.495 8.841 1.00 0.00 ATOM 669 HD2 ARG 43 -25.815 22.605 7.759 1.00 0.00 ATOM 671 HE ARG 43 -23.845 22.281 9.277 1.00 0.00 ATOM 674 HH11 ARG 43 -27.189 22.153 10.490 1.00 0.00 ATOM 675 HH12 ARG 43 -26.755 22.507 12.077 1.00 0.00 ATOM 677 HH21 ARG 43 -23.290 22.802 11.423 1.00 0.00 ATOM 678 HH22 ARG 43 -24.483 22.918 12.638 1.00 0.00 ATOM 681 N LEU 44 -26.754 17.028 7.640 1.00 .00 ATOM 683 CA LEU 44 -27.416 16.287 6.613 1.00 .00 ATOM 698 C LEU 44 -28.839 15.932 7.013 1.00 .00 ATOM 699 O LEU 44 -29.745 15.913 6.178 1.00 .00 ATOM 685 CB LEU 44 -26.614 15.041 6.280 1.00 .00 ATOM 688 CG LEU 44 -25.425 15.205 5.315 1.00 .00 ATOM 690 CD1 LEU 44 -24.410 16.237 5.776 1.00 .00 ATOM 694 CD2 LEU 44 -24.752 13.877 5.070 1.00 .00 ATOM 682 HN LEU 44 -26.056 16.574 8.156 1.00 0.00 ATOM 684 HA LEU 44 -27.454 16.909 5.732 1.00 0.00 ATOM 686 HB1 LEU 44 -27.299 14.322 5.871 1.00 0.00 ATOM 687 HB2 LEU 44 -26.237 14.648 7.213 1.00 0.00 ATOM 689 HG LEU 44 -25.845 15.541 4.386 1.00 0.00 ATOM 691 HD11 LEU 44 -23.608 16.298 5.054 1.00 0.00 ATOM 692 HD12 LEU 44 -24.012 15.945 6.737 1.00 0.00 ATOM 693 HD13 LEU 44 -24.890 17.200 5.864 1.00 0.00 ATOM 695 HD21 LEU 44 -24.393 13.478 6.008 1.00 0.00 ATOM 696 HD22 LEU 44 -23.907 14.028 4.413 1.00 0.00 ATOM 697 HD23 LEU 44 -25.445 13.182 4.621 1.00 0.00 ATOM 700 N LYS 45 -29.031 15.662 8.282 1.00 .00 ATOM 702 CA LYS 45 -30.355 15.369 8.820 1.00 .00 ATOM 720 C LYS 45 -31.249 16.611 8.707 1.00 .00 ATOM 721 O LYS 45 -32.427 16.522 8.353 1.00 .00 ATOM 704 CB LYS 45 -30.274 14.936 10.292 1.00 .00 ATOM 707 CG LYS 45 -31.632 14.604 10.884 1.00 .00 ATOM 710 CD LYS 45 -31.568 14.319 12.369 1.00 .00 ATOM 713 CE LYS 45 -32.955 13.994 12.914 1.00 .00 ATOM 716 NZ LYS 45 -33.934 15.080 12.643 1.00 .00 ATOM 701 HN LYS 45 -28.233 15.650 8.855 1.00 0.00 ATOM 703 HA LYS 45 -30.785 14.569 8.236 1.00 0.00 ATOM 705 HB1 LYS 45 -29.841 15.739 10.869 1.00 0.00 ATOM 706 HB2 LYS 45 -29.642 14.064 10.370 1.00 0.00 ATOM 708 HG1 LYS 45 -32.019 13.734 10.376 1.00 0.00 ATOM 709 HG2 LYS 45 -32.303 15.436 10.723 1.00 0.00 ATOM 711 HD1 LYS 45 -31.181 15.186 12.884 1.00 0.00 ATOM 712 HD2 LYS 45 -30.914 13.476 12.539 1.00 0.00 ATOM 714 HE1 LYS 45 -32.886 13.837 13.980 1.00 0.00 ATOM 715 HE2 LYS 45 -33.307 13.091 12.438 1.00 0.00 ATOM 717 HZ1 LYS 45 -33.644 15.990 13.051 1.00 0.00 ATOM 718 HZ2 LYS 45 -34.848 14.869 13.095 1.00 0.00 ATOM 719 HZ3 LYS 45 -34.125 15.217 11.631 1.00 0.00 ATOM 722 N GLN 46 -30.675 17.759 9.000 1.00 .00 ATOM 724 CA GLN 46 -31.389 19.028 8.924 1.00 .00 ATOM 737 C GLN 46 -31.559 19.467 7.463 1.00 .00 ATOM 738 O GLN 46 -32.434 20.265 7.134 1.00 .00 ATOM 726 CB GLN 46 -30.678 20.093 9.758 1.00 .00 ATOM 729 CG GLN 46 -30.598 19.744 11.239 1.00 .00 ATOM 732 CD GLN 46 -29.860 20.786 12.053 1.00 .00 ATOM 733 OE1 GLN 46 -28.646 20.710 12.217 1.00 .00 ATOM 734 NE2 GLN 46 -30.577 21.736 12.589 1.00 .00 ATOM 723 HN GLN 46 -29.734 17.752 9.287 1.00 0.00 ATOM 725 HA GLN 46 -32.373 18.855 9.335 1.00 0.00 ATOM 727 HB1 GLN 46 -31.203 21.032 9.659 1.00 0.00 ATOM 728 HB2 GLN 46 -29.671 20.206 9.385 1.00 0.00 ATOM 730 HG1 GLN 46 -30.091 18.796 11.343 1.00 0.00 ATOM 731 HG2 GLN 46 -31.602 19.658 11.626 1.00 0.00 ATOM 739 N LEU 47 -30.710 18.927 6.602 1.00 .00 ATOM 741 CA LEU 47 -30.740 19.175 5.161 1.00 .00 ATOM 756 C LEU 47 -32.019 18.602 4.511 1.00 .00 ATOM 757 O LEU 47 -32.380 18.986 3.395 1.00 .00 ATOM 743 CB LEU 47 -29.501 18.570 4.514 1.00 .00 ATOM 746 CG LEU 47 -29.324 18.747 3.002 1.00 .00 ATOM 748 CD1 LEU 47 -29.161 20.215 2.630 1.00 .00 ATOM 752 CD2 LEU 47 -28.142 17.934 2.514 1.00 .00 ATOM 740 HN LEU 47 -30.007 18.341 6.957 1.00 0.00 ATOM 742 HA LEU 47 -30.714 20.239 5.010 1.00 0.00 ATOM 744 HB1 LEU 47 -29.589 17.523 4.731 1.00 0.00 ATOM 745 HB2 LEU 47 -28.625 18.955 5.015 1.00 0.00 ATOM 747 HG LEU 47 -30.211 18.377 2.509 1.00 0.00 ATOM 749 HD11 LEU 47 -29.056 20.303 1.559 1.00 0.00 ATOM 750 HD12 LEU 47 -28.273 20.609 3.102 1.00 0.00 ATOM 751 HD13 LEU 47 -30.027 20.773 2.955 1.00 0.00 ATOM 753 HD21 LEU 47 -27.247 18.269 3.017 1.00 0.00 ATOM 754 HD22 LEU 47 -28.028 18.063 1.448 1.00 0.00 ATOM 755 HD23 LEU 47 -28.306 16.890 2.733 1.00 0.00 ATOM 758 N SER 48 -32.679 17.686 5.218 1.00 .00 ATOM 760 CA SER 48 -33.914 17.035 4.756 1.00 .00 ATOM 767 C SER 48 -35.007 18.063 4.362 1.00 .00 ATOM 768 O SER 48 -34.973 19.235 4.784 1.00 .00 ATOM 762 CB SER 48 -34.442 16.110 5.856 1.00 .00 ATOM 765 OG SER 48 -33.457 15.153 6.236 1.00 .00 ATOM 759 HN SER 48 -32.325 17.429 6.093 1.00 0.00 ATOM 761 HA SER 48 -33.671 16.436 3.892 1.00 0.00 ATOM 763 HB1 SER 48 -35.320 15.587 5.506 1.00 0.00 ATOM 764 HB2 SER 48 -34.699 16.701 6.723 1.00 0.00 ATOM 766 HG SER 48 -33.086 15.466 7.073 1.00 0.00 ATOM 769 N VAL 49 -35.971 17.609 3.569 1.00 .00 ATOM 771 CA VAL 49 -37.052 18.459 3.076 1.00 .00 ATOM 783 C VAL 49 -37.974 18.873 4.224 1.00 .00 ATOM 784 O VAL 49 -38.463 20.010 4.267 1.00 .00 ATOM 773 CB VAL 49 -37.885 17.733 1.987 1.00 .00 ATOM 775 CG1 VAL 49 -38.954 18.653 1.411 1.00 .00 ATOM 779 CG2 VAL 49 -36.991 17.188 .882 1.00 .00 ATOM 770 HN VAL 49 -35.963 16.662 3.307 1.00 0.00 ATOM 772 HA VAL 49 -36.613 19.343 2.642 1.00 0.00 ATOM 774 HB VAL 49 -38.373 16.904 2.473 1.00 0.00 ATOM 785 N GLU 50 -38.178 17.944 5.153 1.00 .00 ATOM 787 CA GLU 50 -39.031 18.145 6.325 1.00 .00 ATOM 798 C GLU 50 -38.640 19.405 7.082 1.00 .00 ATOM 799 O GLU 50 -37.459 19.620 7.371 1.00 .00 ATOM 789 CB GLU 50 -38.964 16.946 7.288 1.00 .00 ATOM 792 CG GLU 50 -39.539 15.625 6.770 1.00 .00 ATOM 795 CD GLU 50 -38.825 15.092 5.565 1.00 .00 ATOM 796 OE1 GLU 50 -37.688 14.618 5.704 1.00 .00 OE2 ATOM 797 OE2 GLU 50 -39.380 15.164 4.456 1.00 .00 OE1 ATOM 786 HN GLU 50 -37.737 17.077 5.039 1.00 0.00 ATOM 788 HA GLU 50 -40.046 18.244 5.971 1.00 0.00 ATOM 790 HB1 GLU 50 -39.489 17.218 8.192 1.00 0.00 ATOM 791 HB2 GLU 50 -37.927 16.774 7.535 1.00 0.00 ATOM 793 HG1 GLU 50 -40.579 15.777 6.520 1.00 0.00 ATOM 794 HG2 GLU 50 -39.473 14.886 7.555 1.00 0.00 ATOM 800 N PRO 51 -39.616 20.251 7.400 1.00 .00 ATOM 801 CA PRO 51 -39.375 21.499 8.117 1.00 .00 ATOM 812 C PRO 51 -39.037 21.259 9.588 1.00 .00 ATOM 813 O PRO 51 -39.463 20.263 10.186 1.00 .00 ATOM 803 CB PRO 51 -40.715 22.234 7.999 1.00 .00 ATOM 806 CG PRO 51 -41.722 21.147 7.875 1.00 .00 ATOM 809 CD PRO 51 -41.054 20.064 7.085 1.00 .00 ATOM 802 HA PRO 51 -38.596 22.084 7.652 1.00 0.00 ATOM 804 HB1 PRO 51 -40.710 22.859 7.120 1.00 0.00 ATOM 805 HB2 PRO 51 -40.882 22.838 8.879 1.00 0.00 ATOM 807 HG1 PRO 51 -42.597 21.508 7.356 1.00 0.00 ATOM 808 HG2 PRO 51 -41.990 20.784 8.856 1.00 0.00 ATOM 810 HD1 PRO 51 -41.237 20.199 6.029 1.00 0.00 ATOM 811 HD2 PRO 51 -41.401 19.096 7.413 1.00 0.00 ATOM 814 N TYR 52 -38.261 22.147 10.151 1.00 .00 ATOM 816 CA TYR 52 -37.921 22.092 11.553 1.00 .00 ATOM 833 C TYR 52 -38.193 23.449 12.150 1.00 .00 ATOM 834 O TYR 52 -37.655 24.452 11.680 1.00 .00 ATOM 818 CB TYR 52 -36.441 21.734 11.777 1.00 .00 ATOM 821 CG TYR 52 -35.992 20.377 11.249 1.00 .00 ATOM 822 CD1 TYR 52 -36.064 19.253 12.049 1.00 .00 CD2 ATOM 824 CD2 TYR 52 -35.481 20.230 9.963 1.00 .00 CD1 ATOM 826 CE1 TYR 52 -35.647 18.017 11.594 1.00 .00 CE2 ATOM 828 CE2 TYR 52 -35.057 18.992 9.500 1.00 .00 CE1 ATOM 830 CZ TYR 52 -35.147 17.890 10.324 1.00 .00 ATOM 831 OH TYR 52 -34.718 16.648 9.878 1.00 .00 ATOM 815 HN TYR 52 -37.901 22.890 9.620 1.00 0.00 ATOM 817 HA TYR 52 -38.550 21.357 12.031 1.00 0.00 ATOM 819 HB1 TYR 52 -36.290 21.738 12.848 1.00 0.00 ATOM 820 HB2 TYR 52 -35.816 22.491 11.330 1.00 0.00 ATOM 823 HD1 TYR 52 -35.417 21.098 9.324 1.00 0.00 ATOM 825 HD2 TYR 52 -36.458 19.355 13.049 1.00 0.00 ATOM 827 HE1 TYR 52 -34.663 18.894 8.498 1.00 0.00 ATOM 829 HE2 TYR 52 -35.716 17.151 12.233 1.00 0.00 ATOM 832 HH TYR 52 -33.914 16.765 9.355 1.00 0.00 ATOM 835 N SER 53 -39.015 23.499 13.152 1.00 .00 ATOM 837 CA SER 53 -39.359 24.720 13.766 1.00 .00 ATOM 844 C SER 53 -39.512 24.475 15.253 1.00 .00 ATOM 845 O SER 53 -39.743 23.321 15.690 1.00 .00 ATOM 839 CB SER 53 -40.668 25.261 13.155 1.00 .00 ATOM 842 OG SER 53 -41.010 26.530 13.688 1.00 .00 ATOM 836 HN SER 53 -39.430 22.707 13.548 1.00 0.00 ATOM 838 HA SER 53 -38.568 25.434 13.593 1.00 0.00 ATOM 840 HB1 SER 53 -41.469 24.568 13.365 1.00 0.00 ATOM 841 HB2 SER 53 -40.553 25.356 12.086 1.00 0.00 ATOM 843 HG SER 53 -40.887 27.199 13.003 1.00 0.00 ATOM 846 N GLN 54 -39.360 25.521 16.017 1.00 .00 ATOM 848 CA GLN 54 -39.492 25.452 17.445 1.00 .00 ATOM 861 C GLN 54 -40.948 25.347 17.811 1.00 .00 ATOM 862 O GLN 54 -41.697 26.333 17.773 1.00 .00 ATOM 850 CB GLN 54 -38.829 26.634 18.133 1.00 .00 ATOM 853 CG GLN 54 -38.931 26.591 19.646 1.00 .00 ATOM 856 CD GLN 54 -38.196 27.723 20.304 1.00 .00 ATOM 857 OE1 GLN 54 -38.070 28.812 19.743 1.00 .00 ATOM 858 NE2 GLN 54 -37.700 27.486 21.478 1.00 .00 ATOM 847 HN GLN 54 -39.171 26.367 15.564 1.00 0.00 ATOM 849 HA GLN 54 -39.006 24.539 17.758 1.00 0.00 ATOM 851 HB1 GLN 54 -39.296 27.546 17.790 1.00 0.00 ATOM 852 HB2 GLN 54 -37.782 26.649 17.867 1.00 0.00 ATOM 854 HG1 GLN 54 -38.519 25.657 20.000 1.00 0.00 ATOM 855 HG2 GLN 54 -39.972 26.649 19.925 1.00 0.00 ATOM 863 N GLU 55 -41.335 24.149 18.142 1.00 .00 ATOM 865 CA GLU 55 -42.702 23.786 18.428 1.00 .00 ATOM 876 C GLU 55 -42.693 22.349 18.858 1.00 .00 ATOM 877 O GLU 55 -43.081 22.009 19.961 1.00 .00 ATOM 867 CB GLU 55 -43.545 23.973 17.159 1.00 .00 ATOM 870 CG GLU 55 -45.009 23.631 17.285 1.00 .00 ATOM 873 CD GLU 55 -45.735 23.872 15.991 1.00 .00 ATOM 874 OE1 GLU 55 -45.602 23.050 15.066 1.00 .00 OE2 ATOM 875 OE2 GLU 55 -46.435 24.911 15.870 1.00 .00 OE1 ATOM 864 HN GLU 55 -40.638 23.460 18.213 1.00 0.00 ATOM 866 HA GLU 55 -43.089 24.398 19.223 1.00 0.00 ATOM 868 HB1 GLU 55 -43.115 23.360 16.382 1.00 0.00 ATOM 869 HB2 GLU 55 -43.473 25.005 16.851 1.00 0.00 ATOM 871 HG1 GLU 55 -45.452 24.246 18.053 1.00 0.00 ATOM 872 HG2 GLU 55 -45.102 22.589 17.551 1.00 0.00 ATOM 878 N GLU 56 -42.219 21.522 17.973 1.00 .00 ATOM 880 CA GLU 56 -42.023 20.117 18.257 1.00 .00 ATOM 891 C GLU 56 -40.594 19.914 18.703 1.00 .00 ATOM 892 O GLU 56 -40.302 19.138 19.622 1.00 .00 ATOM 882 CB GLU 56 -42.331 19.290 17.025 1.00 .00 ATOM 885 CG GLU 56 -43.792 19.354 16.621 1.00 .00 ATOM 888 CD GLU 56 -44.067 18.638 15.339 1.00 .00 ATOM 889 OE1 GLU 56 -44.241 17.402 15.351 1.00 .00 OE2 ATOM 890 OE2 GLU 56 -44.100 19.312 14.280 1.00 .00 OE1 ATOM 879 HN GLU 56 -42.015 21.896 17.092 1.00 0.00 ATOM 881 HA GLU 56 -42.686 19.837 19.062 1.00 0.00 ATOM 883 HB1 GLU 56 -42.069 18.260 17.216 1.00 0.00 ATOM 884 HB2 GLU 56 -41.721 19.658 16.210 1.00 0.00 ATOM 886 HG1 GLU 56 -44.073 20.391 16.511 1.00 0.00 ATOM 887 HG2 GLU 56 -44.389 18.903 17.400 1.00 0.00 ATOM 893 N ALA 57 -39.706 20.623 18.056 1.00 .00 ATOM 895 CA ALA 57 -38.326 20.632 18.426 1.00 .00 ATOM 901 C ALA 57 -38.061 21.916 19.180 1.00 .00 ATOM 902 O ALA 57 -38.684 22.938 18.881 1.00 .00 ATOM 897 CB ALA 57 -37.444 20.545 17.187 1.00 .00 ATOM 894 HN ALA 57 -39.983 21.176 17.296 1.00 0.00 ATOM 896 HA ALA 57 -38.131 19.786 19.068 1.00 0.00 ATOM 898 HB1 ALA 57 -36.405 20.565 17.482 1.00 0.00 ATOM 899 HB2 ALA 57 -37.650 21.382 16.536 1.00 0.00 ATOM 900 HB3 ALA 57 -37.651 19.623 16.664 1.00 0.00 ATOM 903 N GLU 58 -37.190 21.850 20.178 1.00 .00 ATOM 905 CA GLU 58 -36.798 23.013 20.995 1.00 .00 ATOM 916 C GLU 58 -37.949 23.602 21.785 1.00 .00 ATOM 917 O GLU 58 -37.911 24.770 22.177 1.00 .00 ATOM 907 CB GLU 58 -36.096 24.083 20.151 1.00 .00 ATOM 910 CG GLU 58 -34.793 23.600 19.571 1.00 .00 ATOM 913 CD GLU 58 -33.907 23.033 20.646 1.00 .00 ATOM 914 OE1 GLU 58 -33.278 23.810 21.391 1.00 .00 OE2 ATOM 915 OE2 GLU 58 -33.856 21.798 20.786 1.00 .00 OE1 ATOM 904 HN GLU 58 -36.773 20.988 20.394 1.00 0.00 ATOM 906 HA GLU 58 -36.087 22.641 21.718 1.00 0.00 ATOM 908 HB1 GLU 58 -35.898 24.946 20.768 1.00 0.00 ATOM 909 HB2 GLU 58 -36.750 24.369 19.340 1.00 0.00 ATOM 911 HG1 GLU 58 -34.282 24.426 19.101 1.00 0.00 ATOM 912 HG2 GLU 58 -34.999 22.829 18.843 1.00 0.00 ATOM 918 N ARG 59 -38.936 22.780 22.069 1.00 .00 ATOM 920 CA ARG 59 -40.071 23.204 22.838 1.00 .00 ATOM 940 C ARG 59 -39.647 23.284 24.298 1.00 .00 ATOM 941 O ARG 59 -39.582 22.270 25.004 1.00 .00 ATOM 922 CB ARG 59 -41.266 22.236 22.608 1.00 .00 ATOM 925 CG ARG 59 -42.622 22.633 23.241 1.00 .00 ATOM 928 CD ARG 59 -42.679 22.450 24.757 1.00 .00 ATOM 931 NE ARG 59 -42.480 21.042 25.148 1.00 .00 ATOM 933 CZ ARG 59 -42.291 20.602 26.402 1.00 .00 ATOM 934 NH1 ARG 59 -42.320 21.450 27.426 1.00 .00 ATOM 937 NH2 ARG 59 -42.082 19.306 26.624 1.00 .00 ATOM 919 HN ARG 59 -38.872 21.851 21.767 1.00 0.00 ATOM 921 HA ARG 59 -40.338 24.194 22.497 1.00 0.00 ATOM 923 HB1 ARG 59 -40.986 21.266 22.994 1.00 0.00 ATOM 924 HB2 ARG 59 -41.423 22.142 21.544 1.00 0.00 ATOM 926 HG1 ARG 59 -43.392 22.035 22.776 1.00 0.00 ATOM 927 HG2 ARG 59 -42.806 23.674 23.026 1.00 0.00 ATOM 929 HD1 ARG 59 -43.640 22.782 25.118 1.00 0.00 ATOM 930 HD2 ARG 59 -41.898 23.047 25.207 1.00 0.00 ATOM 932 HE ARG 59 -42.486 20.407 24.396 1.00 0.00 ATOM 935 HH11 ARG 59 -42.480 22.434 27.302 1.00 0.00 ATOM 936 HH12 ARG 59 -42.193 21.143 28.373 1.00 0.00 ATOM 938 HH21 ARG 59 -42.068 18.639 25.872 1.00 0.00 ATOM 939 HH22 ARG 59 -41.918 18.933 27.543 1.00 0.00 ATOM 942 N ALA 60 -39.299 24.465 24.717 1.00 .00 ATOM 944 CA ALA 60 -38.845 24.706 26.042 1.00 .00 ATOM 950 C ALA 60 -38.987 26.164 26.374 1.00 .00 ATOM 951 O ALA 60 -38.091 26.967 26.118 1.00 .00 ATOM 946 CB ALA 60 -37.400 24.249 26.236 1.00 .00 ATOM 943 HN ALA 60 -39.361 25.229 24.101 1.00 0.00 ATOM 945 HA ALA 60 -39.475 24.128 26.700 1.00 0.00 ATOM 947 HB1 ALA 60 -37.317 23.200 25.993 1.00 0.00 ATOM 948 HB2 ALA 60 -37.104 24.410 27.262 1.00 0.00 ATOM 949 HB3 ALA 60 -36.758 24.821 25.584 1.00 0.00 ATOM 952 N ALA 61 -40.137 26.512 26.873 1.00 .00 ATOM 954 CA ALA 61 -40.412 27.870 27.284 1.00 .00 ATOM 960 C ALA 61 -39.789 28.147 28.641 1.00 .00 ATOM 961 O ALA 61 -39.539 29.301 29.004 1.00 .00 ATOM 956 CB ALA 61 -41.909 28.118 27.318 1.00 .00 ATOM 953 HN ALA 61 -40.833 25.826 26.945 1.00 0.00 ATOM 955 HA ALA 61 -39.970 28.531 26.555 1.00 0.00 ATOM 957 HB1 ALA 61 -42.365 27.465 28.047 1.00 0.00 ATOM 958 HB2 ALA 61 -42.333 27.924 26.344 1.00 0.00 ATOM 959 HB3 ALA 61 -42.095 29.145 27.591 1.00 0.00 ATOM 962 N GLY 62 -39.521 27.088 29.371 1.00 .00 ATOM 964 CA GLY 62 -38.950 27.210 30.678 1.00 .00 ATOM 967 C GLY 62 -39.964 26.899 31.738 1.00 .00 ATOM 968 O GLY 62 -41.089 26.495 31.426 1.00 .00 ATOM 963 HN GLY 62 -39.731 26.197 29.021 1.00 0.00 ATOM 965 HA1 GLY 62 -38.596 28.221 30.819 1.00 0.00 ATOM 966 HA2 GLY 62 -38.121 26.523 30.766 1.00 0.00 ATOM 969 N MET 63 -39.584 27.064 32.974 1.00 .00 ATOM 971 CA MET 63 -40.479 26.830 34.084 1.00 .00 ATOM 984 C MET 63 -40.012 27.686 35.251 1.00 .00 ATOM 985 O MET 63 -39.092 27.311 35.995 1.00 .00 ATOM 973 CB MET 63 -40.505 25.318 34.441 1.00 .00 ATOM 976 CG MET 63 -41.609 24.859 35.408 1.00 .00 ATOM 979 SD MET 63 -41.478 25.501 37.094 1.00 .00 ATOM 980 CE MET 63 -42.904 24.709 37.839 1.00 .00 ATOM 970 HN MET 63 -38.667 27.359 33.161 1.00 0.00 ATOM 972 HA MET 63 -41.467 27.153 33.788 1.00 0.00 ATOM 974 HB1 MET 63 -39.549 25.066 34.875 1.00 0.00 ATOM 975 HB2 MET 63 -40.620 24.753 33.528 1.00 0.00 ATOM 977 HG1 MET 63 -41.595 23.779 35.445 1.00 0.00 ATOM 978 HG2 MET 63 -42.560 25.176 35.010 1.00 0.00 ATOM 981 HE1 MET 63 -43.802 25.034 37.334 1.00 0.00 ATOM 982 HE2 MET 63 -42.959 24.970 38.885 1.00 0.00 ATOM 983 HE3 MET 63 -42.809 23.637 37.743 1.00 0.00 ATOM 986 N GLY 64 -40.585 28.858 35.364 1.00 .00 ATOM 988 CA GLY 64 -40.181 29.770 36.398 1.00 .00 ATOM 991 C GLY 64 -41.295 30.135 37.346 1.00 .00 ATOM 992 O GLY 64 -41.030 30.499 38.501 1.00 .00 ATOM 987 HN GLY 64 -41.285 29.110 34.722 1.00 0.00 ATOM 989 HA1 GLY 64 -39.808 30.672 35.935 1.00 0.00 ATOM 990 HA2 GLY 64 -39.381 29.318 36.965 1.00 0.00 ATOM 993 N SER 65 -42.538 30.038 36.889 1.00 .00 ATOM 995 CA SER 65 -43.666 30.398 37.721 1.00 .00 ATOM 1002 C SER 65 -43.963 29.327 38.779 1.00 .00 ATOM 1003 O SER 65 -44.792 28.427 38.574 1.00 .00 ATOM 997 CB SER 65 -44.905 30.738 36.872 1.00 .00 ATOM 1000 OG SER 65 -45.264 29.656 36.005 1.00 .00 ATOM 994 HN SER 65 -42.718 29.723 35.977 1.00 0.00 ATOM 996 HA SER 65 -43.366 31.288 38.256 1.00 0.00 ATOM 998 HB1 SER 65 -44.698 31.611 36.271 1.00 0.00 ATOM 999 HB2 SER 65 -45.737 30.944 37.528 1.00 0.00 ATOM 1001 HG SER 65 -45.460 28.911 36.595 1.00 0.00 ATOM 1004 N TYR 66 -43.226 29.394 39.866 1.00 .00 ATOM 1006 CA TYR 66 -43.364 28.488 40.968 1.00 .00 ATOM 1023 C TYR 66 -42.579 29.014 42.113 1.00 .00 ATOM 1024 O TYR 66 -41.348 28.935 42.145 1.00 .00 ATOM 1008 CB TYR 66 -42.875 27.124 40.581 1.00 .00 ATOM 1011 CG TYR 66 -43.058 26.027 41.613 1.00 .00 ATOM 1012 CD1 TYR 66 -44.321 25.535 41.910 1.00 .00 ATOM 1014 CD2 TYR 66 -41.966 25.460 42.259 1.00 .00 ATOM 1016 CE1 TYR 66 -44.493 24.517 42.818 1.00 .00 ATOM 1018 CE2 TYR 66 -42.132 24.441 43.176 1.00 .00 ATOM 1020 CZ TYR 66 -43.398 23.973 43.448 1.00 .00 ATOM 1021 OH TYR 66 -43.573 22.946 44.352 1.00 .00 ATOM 1005 HN TYR 66 -42.534 30.089 39.919 1.00 0.00 ATOM 1007 HA TYR 66 -44.408 28.431 41.240 1.00 0.00 ATOM 1009 HB1 TYR 66 -41.830 27.244 40.349 1.00 0.00 ATOM 1010 HB2 TYR 66 -43.451 26.886 39.706 1.00 0.00 ATOM 1013 HD1 TYR 66 -45.180 25.967 41.420 1.00 0.00 ATOM 1015 HD2 TYR 66 -40.974 25.829 42.043 1.00 0.00 ATOM 1017 HE1 TYR 66 -45.484 24.147 43.035 1.00 0.00 ATOM 1019 HE2 TYR 66 -41.272 24.014 43.671 1.00 0.00 ATOM 1022 HH TYR 66 -44.152 22.312 43.905 1.00 0.00 ATOM 1025 N VAL 67 -43.272 29.591 42.988 1.00 .00 ATOM 1038 CA VAL 67 -42.730 30.179 44.162 1.00 .00 ATOM 1039 C VAL 67 -43.765 30.180 45.291 1.00 .00 ATOM 1028 CB VAL 67 -42.152 31.590 43.871 1.00 .00 ATOM 1030 CG1 VAL 67 -43.189 32.565 43.335 1.00 .00 ATOM 1034 CG2 VAL 67 -41.396 32.155 45.052 1.00 .00 ATOM 1026 HN VAL 67 -44.225 29.624 42.790 1.00 0.00 ATOM 1027 HA VAL 67 -41.922 29.536 44.480 1.00 0.00 ATOM 1029 HB VAL 67 -41.457 31.400 43.073 1.00 0.00 ATOM 1042 ZN1 ZIN 68 -18.025 14.978 4.824 1.00 0.00 MASTER 1013 END