USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 593 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot -160:sc= -0.0727 USER MOD Set 1.2: A 28 SER OG : rot 136:sc= 0.73 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 158:sc= -3.03! USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0332 X(o=-0.033,f=-0.033) USER MOD Single : A 25 CYS SG : rot 111:sc= -1.28 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= 0.175 F(o=-0.72,f=0.18) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.552 USER MOD Single : A 60 HIS : no HD1:sc= -0.941 X(o=-0.94,f=-1.2) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -151:sc= 1.25 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 76 MET CE :methyl -144:sc= -0.453 (180deg=-1.76!) USER MOD ----------------------------------------------------------------- ATOM 41 N VAL A 3 0.844 -1.857 -14.089 1.00 0.00 N ATOM 42 CA VAL A 3 1.410 -1.710 -12.751 1.00 0.00 C ATOM 43 C VAL A 3 1.762 -0.250 -12.463 1.00 0.00 C ATOM 44 O VAL A 3 2.441 0.402 -13.261 1.00 0.00 O ATOM 45 CB VAL A 3 2.675 -2.586 -12.574 1.00 0.00 C ATOM 46 CG1 VAL A 3 3.155 -2.561 -11.130 1.00 0.00 C ATOM 47 CG2 VAL A 3 2.408 -4.020 -13.020 1.00 0.00 C ATOM 0 HA VAL A 3 0.650 -2.042 -12.044 1.00 0.00 H new ATOM 0 HB VAL A 3 3.461 -2.170 -13.204 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.044 -3.184 -11.031 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.395 -1.537 -10.844 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.370 -2.945 -10.479 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.310 -4.617 -12.887 1.00 0.00 H new ATOM 0 HG22 VAL A 3 1.602 -4.443 -12.421 1.00 0.00 H new ATOM 0 HG23 VAL A 3 2.121 -4.027 -14.072 1.00 0.00 H new ATOM 57 N ARG A 4 1.288 0.261 -11.325 1.00 0.00 N ATOM 58 CA ARG A 4 1.542 1.645 -10.931 1.00 0.00 C ATOM 59 C ARG A 4 2.245 1.712 -9.573 1.00 0.00 C ATOM 60 O ARG A 4 1.933 0.943 -8.662 1.00 0.00 O ATOM 61 CB ARG A 4 0.221 2.422 -10.885 1.00 0.00 C ATOM 62 CG ARG A 4 0.370 3.865 -10.428 1.00 0.00 C ATOM 63 CD ARG A 4 0.790 4.777 -11.572 1.00 0.00 C ATOM 64 NE ARG A 4 0.340 6.157 -11.371 1.00 0.00 N ATOM 65 CZ ARG A 4 0.828 7.212 -12.034 1.00 0.00 C ATOM 66 NH1 ARG A 4 1.780 7.054 -12.953 1.00 0.00 N ATOM 67 NH2 ARG A 4 0.359 8.429 -11.779 1.00 0.00 N ATOM 0 H ARG A 4 0.724 -0.267 -10.659 1.00 0.00 H new ATOM 0 HA ARG A 4 2.201 2.099 -11.672 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.231 2.410 -11.877 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.468 1.908 -10.215 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.575 4.214 -10.012 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.109 3.919 -9.629 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.876 4.761 -11.668 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.381 4.396 -12.508 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.393 6.324 -10.681 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.143 6.123 -13.156 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.146 7.864 -13.453 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.372 8.558 -11.079 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.730 9.234 -12.283 1.00 0.00 H new ATOM 81 N SER A 5 3.197 2.642 -9.449 1.00 0.00 N ATOM 82 CA SER A 5 3.948 2.819 -8.206 1.00 0.00 C ATOM 83 C SER A 5 3.360 3.956 -7.370 1.00 0.00 C ATOM 84 O SER A 5 3.172 5.069 -7.867 1.00 0.00 O ATOM 85 CB SER A 5 5.424 3.098 -8.509 1.00 0.00 C ATOM 86 OG SER A 5 5.938 2.175 -9.459 1.00 0.00 O ATOM 0 H SER A 5 3.465 3.283 -10.196 1.00 0.00 H new ATOM 0 HA SER A 5 3.873 1.896 -7.632 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.534 4.114 -8.889 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.005 3.037 -7.588 1.00 0.00 H new ATOM 0 HG SER A 5 6.881 2.377 -9.635 1.00 0.00 H new ATOM 92 N VAL A 6 3.069 3.666 -6.101 1.00 0.00 N ATOM 93 CA VAL A 6 2.496 4.653 -5.186 1.00 0.00 C ATOM 94 C VAL A 6 3.410 4.882 -3.977 1.00 0.00 C ATOM 95 O VAL A 6 4.016 3.941 -3.462 1.00 0.00 O ATOM 96 CB VAL A 6 1.099 4.209 -4.687 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.450 5.296 -3.839 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.195 3.832 -5.856 1.00 0.00 C ATOM 0 H VAL A 6 3.222 2.749 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 6 2.398 5.585 -5.743 1.00 0.00 H new ATOM 0 HB VAL A 6 1.236 3.326 -4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.530 4.958 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.079 5.507 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.336 6.202 -4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.780 3.524 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.073 4.692 -6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.644 3.010 -6.413 1.00 0.00 H new ATOM 108 N GLU A 7 3.500 6.138 -3.531 1.00 0.00 N ATOM 109 CA GLU A 7 4.339 6.491 -2.384 1.00 0.00 C ATOM 110 C GLU A 7 3.533 7.236 -1.319 1.00 0.00 C ATOM 111 O GLU A 7 2.943 8.282 -1.595 1.00 0.00 O ATOM 112 CB GLU A 7 5.523 7.347 -2.837 1.00 0.00 C ATOM 113 CG GLU A 7 6.721 6.531 -3.298 1.00 0.00 C ATOM 114 CD GLU A 7 7.039 6.725 -4.767 1.00 0.00 C ATOM 115 OE1 GLU A 7 7.313 7.876 -5.171 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.019 5.724 -5.515 1.00 0.00 O ATOM 0 H GLU A 7 3.003 6.926 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 7 4.713 5.566 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.201 7.997 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.829 7.994 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.592 6.807 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.528 5.475 -3.110 1.00 0.00 H new ATOM 123 N VAL A 8 3.518 6.691 -0.099 1.00 0.00 N ATOM 124 CA VAL A 8 2.789 7.299 1.012 1.00 0.00 C ATOM 125 C VAL A 8 3.748 7.971 2.000 1.00 0.00 C ATOM 126 O VAL A 8 4.886 7.537 2.166 1.00 0.00 O ATOM 127 CB VAL A 8 1.933 6.257 1.767 1.00 0.00 C ATOM 128 CG1 VAL A 8 0.950 6.944 2.705 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.191 5.352 0.789 1.00 0.00 C ATOM 0 H VAL A 8 4.005 5.828 0.142 1.00 0.00 H new ATOM 0 HA VAL A 8 2.129 8.052 0.581 1.00 0.00 H new ATOM 0 HB VAL A 8 2.604 5.639 2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.358 6.192 3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.499 7.542 3.433 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.289 7.591 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.596 4.627 1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.535 5.955 0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.911 4.826 0.162 1.00 0.00 H new ATOM 139 N ALA A 9 3.271 9.033 2.649 1.00 0.00 N ATOM 140 CA ALA A 9 4.063 9.779 3.618 1.00 0.00 C ATOM 141 C ALA A 9 3.582 9.515 5.042 1.00 0.00 C ATOM 142 O ALA A 9 2.569 10.065 5.479 1.00 0.00 O ATOM 143 CB ALA A 9 4.006 11.270 3.310 1.00 0.00 C ATOM 0 H ALA A 9 2.327 9.397 2.516 1.00 0.00 H new ATOM 0 HA ALA A 9 5.096 9.440 3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.602 11.816 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.403 11.451 2.311 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.972 11.612 3.357 1.00 0.00 H new ATOM 149 N ARG A 10 4.317 8.668 5.755 1.00 0.00 N ATOM 150 CA ARG A 10 3.981 8.319 7.139 1.00 0.00 C ATOM 151 C ARG A 10 3.918 9.568 8.019 1.00 0.00 C ATOM 152 O ARG A 10 4.906 10.291 8.156 1.00 0.00 O ATOM 153 CB ARG A 10 5.006 7.334 7.713 1.00 0.00 C ATOM 154 CG ARG A 10 4.442 6.435 8.804 1.00 0.00 C ATOM 155 CD ARG A 10 4.704 6.999 10.193 1.00 0.00 C ATOM 156 NE ARG A 10 4.704 5.952 11.215 1.00 0.00 N ATOM 157 CZ ARG A 10 5.247 6.084 12.428 1.00 0.00 C ATOM 158 NH1 ARG A 10 5.823 7.229 12.792 1.00 0.00 N ATOM 159 NH2 ARG A 10 5.207 5.069 13.284 1.00 0.00 N ATOM 0 H ARG A 10 5.154 8.206 5.399 1.00 0.00 H new ATOM 0 HA ARG A 10 2.999 7.846 7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.392 6.712 6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.850 7.894 8.116 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.369 6.315 8.657 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.888 5.443 8.724 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.665 7.514 10.201 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.943 7.741 10.433 1.00 0.00 H new ATOM 0 HE ARG A 10 4.260 5.063 10.986 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.852 8.015 12.142 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.235 7.320 13.721 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.762 4.192 13.014 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.621 5.167 14.211 1.00 0.00 H new ATOM 173 N GLY A 11 2.748 9.809 8.614 1.00 0.00 N ATOM 174 CA GLY A 11 2.570 10.967 9.474 1.00 0.00 C ATOM 175 C GLY A 11 3.103 10.731 10.876 1.00 0.00 C ATOM 176 O GLY A 11 4.315 10.642 11.077 1.00 0.00 O ATOM 0 H GLY A 11 1.921 9.221 8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.078 11.825 9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.511 11.217 9.528 1.00 0.00 H new ATOM 180 N ARG A 12 2.195 10.630 11.845 1.00 0.00 N ATOM 181 CA ARG A 12 2.576 10.402 13.236 1.00 0.00 C ATOM 182 C ARG A 12 2.262 8.971 13.659 1.00 0.00 C ATOM 183 O ARG A 12 3.168 8.160 13.850 1.00 0.00 O ATOM 184 CB ARG A 12 1.864 11.399 14.159 1.00 0.00 C ATOM 185 CG ARG A 12 2.747 12.551 14.603 1.00 0.00 C ATOM 186 CD ARG A 12 1.952 13.611 15.351 1.00 0.00 C ATOM 187 NE ARG A 12 2.788 14.366 16.283 1.00 0.00 N ATOM 188 CZ ARG A 12 3.624 15.345 15.921 1.00 0.00 C ATOM 189 NH1 ARG A 12 3.748 15.691 14.638 1.00 0.00 N ATOM 190 NH2 ARG A 12 4.339 15.980 16.844 1.00 0.00 N ATOM 0 H ARG A 12 1.189 10.703 11.691 1.00 0.00 H new ATOM 0 HA ARG A 12 3.652 10.555 13.321 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.991 11.799 13.644 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.500 10.870 15.040 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.544 12.173 15.244 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.224 13.001 13.732 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.498 14.296 14.635 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.138 13.135 15.898 1.00 0.00 H new ATOM 0 HE ARG A 12 2.730 14.131 17.274 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.203 15.208 13.924 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.388 16.439 14.371 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.250 15.720 17.826 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.977 16.727 16.570 1.00 0.00 H new ATOM 204 N ALA A 13 0.975 8.667 13.801 1.00 0.00 N ATOM 205 CA ALA A 13 0.545 7.332 14.200 1.00 0.00 C ATOM 206 C ALA A 13 -0.151 6.607 13.045 1.00 0.00 C ATOM 207 O ALA A 13 -1.198 5.983 13.229 1.00 0.00 O ATOM 208 CB ALA A 13 -0.372 7.412 15.415 1.00 0.00 C ATOM 0 H ALA A 13 0.213 9.327 13.646 1.00 0.00 H new ATOM 0 HA ALA A 13 1.431 6.757 14.469 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.685 6.408 15.701 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.162 7.876 16.244 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.250 8.010 15.170 1.00 0.00 H new ATOM 214 N GLY A 14 0.439 6.697 11.851 1.00 0.00 N ATOM 215 CA GLY A 14 -0.135 6.045 10.685 1.00 0.00 C ATOM 216 C GLY A 14 0.161 6.782 9.391 1.00 0.00 C ATOM 217 O GLY A 14 1.171 7.484 9.287 1.00 0.00 O ATOM 0 H GLY A 14 1.303 7.209 11.673 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.253 5.029 10.615 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.215 5.966 10.814 1.00 0.00 H new ATOM 221 N TYR A 15 -0.717 6.611 8.400 1.00 0.00 N ATOM 222 CA TYR A 15 -0.555 7.254 7.095 1.00 0.00 C ATOM 223 C TYR A 15 -1.849 7.931 6.649 1.00 0.00 C ATOM 224 O TYR A 15 -1.859 9.118 6.324 1.00 0.00 O ATOM 225 CB TYR A 15 -0.127 6.231 6.032 1.00 0.00 C ATOM 226 CG TYR A 15 1.126 5.456 6.381 1.00 0.00 C ATOM 227 CD1 TYR A 15 1.109 4.474 7.362 1.00 0.00 C ATOM 228 CD2 TYR A 15 2.326 5.708 5.726 1.00 0.00 C ATOM 229 CE1 TYR A 15 2.248 3.768 7.683 1.00 0.00 C ATOM 230 CE2 TYR A 15 3.469 5.005 6.041 1.00 0.00 C ATOM 231 CZ TYR A 15 3.425 4.037 7.023 1.00 0.00 C ATOM 232 OH TYR A 15 4.558 3.336 7.350 1.00 0.00 O ATOM 0 H TYR A 15 -1.551 6.029 8.478 1.00 0.00 H new ATOM 0 HA TYR A 15 0.222 8.011 7.201 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.943 5.526 5.873 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.033 6.751 5.088 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.187 4.260 7.883 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.363 6.467 4.958 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.217 3.007 8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.394 5.211 5.522 1.00 0.00 H new ATOM 0 HH TYR A 15 5.191 3.371 6.603 1.00 0.00 H new ATOM 242 N GLY A 16 -2.930 7.158 6.627 1.00 0.00 N ATOM 243 CA GLY A 16 -4.222 7.683 6.207 1.00 0.00 C ATOM 244 C GLY A 16 -5.074 6.650 5.480 1.00 0.00 C ATOM 245 O GLY A 16 -6.295 6.781 5.425 1.00 0.00 O ATOM 0 H GLY A 16 -2.937 6.173 6.893 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.764 8.043 7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.065 8.541 5.554 1.00 0.00 H new ATOM 249 N PHE A 17 -4.429 5.619 4.925 1.00 0.00 N ATOM 250 CA PHE A 17 -5.135 4.566 4.203 1.00 0.00 C ATOM 251 C PHE A 17 -5.345 3.339 5.093 1.00 0.00 C ATOM 252 O PHE A 17 -4.690 3.187 6.126 1.00 0.00 O ATOM 253 CB PHE A 17 -4.363 4.175 2.935 1.00 0.00 C ATOM 254 CG PHE A 17 -3.029 3.527 3.204 1.00 0.00 C ATOM 255 CD1 PHE A 17 -1.900 4.296 3.439 1.00 0.00 C ATOM 256 CD2 PHE A 17 -2.907 2.146 3.222 1.00 0.00 C ATOM 257 CE1 PHE A 17 -0.678 3.702 3.688 1.00 0.00 C ATOM 258 CE2 PHE A 17 -1.686 1.546 3.473 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.570 2.325 3.705 1.00 0.00 C ATOM 0 H PHE A 17 -3.417 5.495 4.964 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.113 4.951 3.915 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.975 3.492 2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.206 5.067 2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.977 5.373 3.427 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.776 1.531 3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.193 4.314 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.606 0.469 3.487 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.385 1.859 3.899 1.00 0.00 H new ATOM 269 N THR A 18 -6.263 2.469 4.680 1.00 0.00 N ATOM 270 CA THR A 18 -6.567 1.252 5.433 1.00 0.00 C ATOM 271 C THR A 18 -6.059 0.014 4.697 1.00 0.00 C ATOM 272 O THR A 18 -6.438 -0.237 3.551 1.00 0.00 O ATOM 273 CB THR A 18 -8.077 1.129 5.682 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.693 2.406 5.751 1.00 0.00 O ATOM 275 CG2 THR A 18 -8.412 0.387 6.960 1.00 0.00 C ATOM 0 H THR A 18 -6.811 2.583 3.827 1.00 0.00 H new ATOM 0 HA THR A 18 -6.057 1.320 6.394 1.00 0.00 H new ATOM 0 HB THR A 18 -8.459 0.560 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.654 2.297 5.908 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.494 0.335 7.077 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.003 -0.622 6.913 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.980 0.914 7.811 1.00 0.00 H new ATOM 283 N LEU A 19 -5.200 -0.754 5.365 1.00 0.00 N ATOM 284 CA LEU A 19 -4.636 -1.964 4.776 1.00 0.00 C ATOM 285 C LEU A 19 -5.275 -3.216 5.368 1.00 0.00 C ATOM 286 O LEU A 19 -5.268 -3.413 6.586 1.00 0.00 O ATOM 287 CB LEU A 19 -3.123 -2.020 5.001 1.00 0.00 C ATOM 288 CG LEU A 19 -2.276 -2.300 3.754 1.00 0.00 C ATOM 289 CD1 LEU A 19 -0.810 -2.456 4.136 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.778 -3.543 3.028 1.00 0.00 C ATOM 0 H LEU A 19 -4.880 -0.559 6.314 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.844 -1.932 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.802 -1.071 5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.913 -2.792 5.742 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.369 -1.452 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.220 -2.654 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.457 -1.539 4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.702 -3.287 4.833 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.163 -3.723 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.717 -4.403 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.814 -3.393 2.723 1.00 0.00 H new ATOM 302 N SER A 20 -5.803 -4.065 4.495 1.00 0.00 N ATOM 303 CA SER A 20 -6.428 -5.318 4.912 1.00 0.00 C ATOM 304 C SER A 20 -6.355 -6.342 3.788 1.00 0.00 C ATOM 305 O SER A 20 -7.014 -6.199 2.758 1.00 0.00 O ATOM 306 CB SER A 20 -7.887 -5.116 5.335 1.00 0.00 C ATOM 307 OG SER A 20 -8.379 -3.842 4.944 1.00 0.00 O ATOM 0 H SER A 20 -5.811 -3.909 3.487 1.00 0.00 H new ATOM 0 HA SER A 20 -5.877 -5.685 5.778 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.505 -5.896 4.891 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.969 -5.221 6.417 1.00 0.00 H new ATOM 0 HG SER A 20 -9.167 -3.616 5.482 1.00 0.00 H new ATOM 313 N GLY A 21 -5.546 -7.373 4.000 1.00 0.00 N ATOM 314 CA GLY A 21 -5.390 -8.410 3.006 1.00 0.00 C ATOM 315 C GLY A 21 -4.721 -9.638 3.574 1.00 0.00 C ATOM 316 O GLY A 21 -3.521 -9.838 3.380 1.00 0.00 O ATOM 0 H GLY A 21 -4.994 -7.507 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.368 -8.681 2.607 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.801 -8.028 2.172 1.00 0.00 H new ATOM 320 N GLN A 22 -5.500 -10.453 4.287 1.00 0.00 N ATOM 321 CA GLN A 22 -4.983 -11.683 4.897 1.00 0.00 C ATOM 322 C GLN A 22 -4.086 -12.430 3.912 1.00 0.00 C ATOM 323 O GLN A 22 -2.988 -12.869 4.262 1.00 0.00 O ATOM 324 CB GLN A 22 -6.132 -12.590 5.358 1.00 0.00 C ATOM 325 CG GLN A 22 -5.888 -13.236 6.714 1.00 0.00 C ATOM 326 CD GLN A 22 -4.687 -14.164 6.706 1.00 0.00 C ATOM 327 OE1 GLN A 22 -4.801 -15.338 6.356 1.00 0.00 O ATOM 328 NE2 GLN A 22 -3.528 -13.637 7.088 1.00 0.00 N ATOM 0 H GLN A 22 -6.492 -10.285 4.457 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.393 -11.405 5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.051 -12.005 5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.288 -13.372 4.615 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.737 -12.458 7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.775 -13.796 7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.481 -12.658 7.370 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.685 -14.212 7.099 1.00 0.00 H new ATOM 337 N ALA A 23 -4.556 -12.541 2.671 1.00 0.00 N ATOM 338 CA ALA A 23 -3.801 -13.201 1.614 1.00 0.00 C ATOM 339 C ALA A 23 -3.413 -12.194 0.526 1.00 0.00 C ATOM 340 O ALA A 23 -2.231 -11.890 0.358 1.00 0.00 O ATOM 341 CB ALA A 23 -4.590 -14.370 1.031 1.00 0.00 C ATOM 0 H ALA A 23 -5.462 -12.179 2.374 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.884 -13.604 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.006 -14.847 0.244 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.800 -15.095 1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.529 -14.004 0.615 1.00 0.00 H new ATOM 347 N PRO A 24 -4.401 -11.641 -0.216 1.00 0.00 N ATOM 348 CA PRO A 24 -4.141 -10.659 -1.268 1.00 0.00 C ATOM 349 C PRO A 24 -4.100 -9.228 -0.728 1.00 0.00 C ATOM 350 O PRO A 24 -5.138 -8.575 -0.597 1.00 0.00 O ATOM 351 CB PRO A 24 -5.334 -10.853 -2.200 1.00 0.00 C ATOM 352 CG PRO A 24 -6.461 -11.246 -1.299 1.00 0.00 C ATOM 353 CD PRO A 24 -5.848 -11.916 -0.089 1.00 0.00 C ATOM 0 HA PRO A 24 -3.172 -10.801 -1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.564 -9.937 -2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.134 -11.625 -2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.041 -10.372 -1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.145 -11.924 -1.810 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.251 -11.509 0.838 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.051 -12.987 -0.081 1.00 0.00 H new ATOM 361 N CYS A 25 -2.894 -8.753 -0.413 1.00 0.00 N ATOM 362 CA CYS A 25 -2.713 -7.399 0.114 1.00 0.00 C ATOM 363 C CYS A 25 -3.378 -6.374 -0.808 1.00 0.00 C ATOM 364 O CYS A 25 -2.980 -6.224 -1.965 1.00 0.00 O ATOM 365 CB CYS A 25 -1.221 -7.076 0.267 1.00 0.00 C ATOM 366 SG CYS A 25 -0.402 -7.976 1.604 1.00 0.00 S ATOM 0 H CYS A 25 -2.029 -9.285 -0.513 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.185 -7.348 1.095 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.714 -7.301 -0.671 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.108 -6.006 0.442 1.00 0.00 H new ATOM 0 HG CYS A 25 0.425 -8.844 1.100 1.00 0.00 H new ATOM 372 N VAL A 26 -4.400 -5.688 -0.299 1.00 0.00 N ATOM 373 CA VAL A 26 -5.122 -4.694 -1.091 1.00 0.00 C ATOM 374 C VAL A 26 -5.604 -3.525 -0.232 1.00 0.00 C ATOM 375 O VAL A 26 -5.968 -3.705 0.933 1.00 0.00 O ATOM 376 CB VAL A 26 -6.333 -5.336 -1.810 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.325 -5.912 -0.806 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.016 -4.332 -2.730 1.00 0.00 C ATOM 0 H VAL A 26 -4.746 -5.801 0.654 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.421 -4.311 -1.833 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.960 -6.157 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.165 -6.356 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.832 -6.676 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.688 -5.116 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.863 -4.808 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.367 -3.482 -2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.306 -3.986 -3.482 1.00 0.00 H new ATOM 388 N LEU A 27 -5.608 -2.328 -0.821 1.00 0.00 N ATOM 389 CA LEU A 27 -6.056 -1.126 -0.119 1.00 0.00 C ATOM 390 C LEU A 27 -7.579 -1.129 0.023 1.00 0.00 C ATOM 391 O LEU A 27 -8.296 -0.637 -0.852 1.00 0.00 O ATOM 392 CB LEU A 27 -5.601 0.133 -0.865 1.00 0.00 C ATOM 393 CG LEU A 27 -4.402 0.856 -0.247 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.231 0.877 -1.216 1.00 0.00 C ATOM 395 CD2 LEU A 27 -4.789 2.270 0.166 1.00 0.00 C ATOM 0 H LEU A 27 -5.306 -2.166 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.610 -1.123 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.351 -0.141 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.438 0.829 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.092 0.312 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.389 1.395 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.940 -0.145 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.523 1.396 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.925 2.770 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.125 2.826 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.594 2.227 0.900 1.00 0.00 H new ATOM 407 N SER A 28 -8.061 -1.704 1.127 1.00 0.00 N ATOM 408 CA SER A 28 -9.499 -1.797 1.405 1.00 0.00 C ATOM 409 C SER A 28 -10.209 -0.465 1.179 1.00 0.00 C ATOM 410 O SER A 28 -11.216 -0.402 0.471 1.00 0.00 O ATOM 411 CB SER A 28 -9.732 -2.264 2.839 1.00 0.00 C ATOM 412 OG SER A 28 -10.184 -3.606 2.871 1.00 0.00 O ATOM 0 H SER A 28 -7.471 -2.116 1.850 1.00 0.00 H new ATOM 0 HA SER A 28 -9.917 -2.525 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.807 -2.175 3.409 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.466 -1.618 3.320 1.00 0.00 H new ATOM 0 HG SER A 28 -9.712 -4.093 3.578 1.00 0.00 H new ATOM 418 N CYS A 29 -9.682 0.595 1.788 1.00 0.00 N ATOM 419 CA CYS A 29 -10.266 1.926 1.657 1.00 0.00 C ATOM 420 C CYS A 29 -9.222 3.019 1.878 1.00 0.00 C ATOM 421 O CYS A 29 -8.177 2.784 2.492 1.00 0.00 O ATOM 422 CB CYS A 29 -11.423 2.105 2.643 1.00 0.00 C ATOM 423 SG CYS A 29 -12.732 3.203 2.051 1.00 0.00 S ATOM 0 H CYS A 29 -8.851 0.557 2.378 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.646 2.018 0.639 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.854 1.128 2.862 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.030 2.498 3.581 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.666 3.290 2.951 1.00 0.00 H new ATOM 429 N VAL A 30 -9.520 4.216 1.377 1.00 0.00 N ATOM 430 CA VAL A 30 -8.625 5.362 1.512 1.00 0.00 C ATOM 431 C VAL A 30 -9.356 6.543 2.151 1.00 0.00 C ATOM 432 O VAL A 30 -10.581 6.652 2.047 1.00 0.00 O ATOM 433 CB VAL A 30 -8.047 5.796 0.142 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.884 6.759 0.324 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.614 4.581 -0.673 1.00 0.00 C ATOM 0 H VAL A 30 -10.382 4.418 0.870 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.800 5.054 2.154 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.835 6.313 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.496 7.049 -0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.226 7.646 0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.095 6.273 0.898 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.211 4.910 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.848 4.031 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.473 3.933 -0.844 1.00 0.00 H new ATOM 445 N MET A 31 -8.603 7.428 2.803 1.00 0.00 N ATOM 446 CA MET A 31 -9.178 8.597 3.448 1.00 0.00 C ATOM 447 C MET A 31 -8.835 9.854 2.663 1.00 0.00 C ATOM 448 O MET A 31 -7.702 10.341 2.699 1.00 0.00 O ATOM 449 CB MET A 31 -8.679 8.730 4.890 1.00 0.00 C ATOM 450 CG MET A 31 -9.208 7.650 5.825 1.00 0.00 C ATOM 451 SD MET A 31 -9.491 8.255 7.498 1.00 0.00 S ATOM 452 CE MET A 31 -11.128 8.962 7.332 1.00 0.00 C ATOM 0 H MET A 31 -7.590 7.353 2.896 1.00 0.00 H new ATOM 0 HA MET A 31 -10.261 8.472 3.469 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.589 8.698 4.892 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.970 9.707 5.277 1.00 0.00 H new ATOM 0 HG2 MET A 31 -10.141 7.253 5.424 1.00 0.00 H new ATOM 0 HG3 MET A 31 -8.498 6.824 5.857 1.00 0.00 H new ATOM 0 HE1 MET A 31 -11.443 9.379 8.289 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.109 9.752 6.581 1.00 0.00 H new ATOM 0 HE3 MET A 31 -11.830 8.187 7.025 1.00 0.00 H new ATOM 462 N ARG A 32 -9.828 10.358 1.947 1.00 0.00 N ATOM 463 CA ARG A 32 -9.678 11.554 1.131 1.00 0.00 C ATOM 464 C ARG A 32 -9.115 12.710 1.957 1.00 0.00 C ATOM 465 O ARG A 32 -9.647 13.044 3.019 1.00 0.00 O ATOM 466 CB ARG A 32 -11.023 11.944 0.518 1.00 0.00 C ATOM 467 CG ARG A 32 -11.617 10.867 -0.379 1.00 0.00 C ATOM 468 CD ARG A 32 -13.067 11.167 -0.730 1.00 0.00 C ATOM 469 NE ARG A 32 -13.218 11.633 -2.111 1.00 0.00 N ATOM 470 CZ ARG A 32 -14.287 12.293 -2.565 1.00 0.00 C ATOM 471 NH1 ARG A 32 -15.309 12.565 -1.756 1.00 0.00 N ATOM 472 NH2 ARG A 32 -14.337 12.680 -3.835 1.00 0.00 N ATOM 0 H ARG A 32 -10.762 9.949 1.915 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.973 11.336 0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.727 12.167 1.319 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.898 12.859 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.029 10.790 -1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.556 9.901 0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.668 10.269 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.455 11.924 -0.049 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.460 11.442 -2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.280 12.269 -0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.121 13.070 -2.112 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.560 12.473 -4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.153 13.184 -4.183 1.00 0.00 H new ATOM 486 N GLY A 33 -8.028 13.299 1.469 1.00 0.00 N ATOM 487 CA GLY A 33 -7.389 14.401 2.171 1.00 0.00 C ATOM 488 C GLY A 33 -6.206 13.944 3.018 1.00 0.00 C ATOM 489 O GLY A 33 -5.842 14.608 3.990 1.00 0.00 O ATOM 0 H GLY A 33 -7.575 13.032 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.049 15.141 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.121 14.894 2.811 1.00 0.00 H new ATOM 493 N SER A 34 -5.607 12.811 2.642 1.00 0.00 N ATOM 494 CA SER A 34 -4.459 12.264 3.360 1.00 0.00 C ATOM 495 C SER A 34 -3.367 11.848 2.370 1.00 0.00 C ATOM 496 O SER A 34 -3.598 11.841 1.160 1.00 0.00 O ATOM 497 CB SER A 34 -4.892 11.064 4.212 1.00 0.00 C ATOM 498 OG SER A 34 -4.918 11.394 5.593 1.00 0.00 O ATOM 0 H SER A 34 -5.902 12.254 1.840 1.00 0.00 H new ATOM 0 HA SER A 34 -4.057 13.033 4.020 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.881 10.730 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.207 10.232 4.047 1.00 0.00 H new ATOM 0 HG SER A 34 -5.199 10.611 6.111 1.00 0.00 H new ATOM 504 N PRO A 35 -2.159 11.497 2.866 1.00 0.00 N ATOM 505 CA PRO A 35 -1.032 11.082 2.014 1.00 0.00 C ATOM 506 C PRO A 35 -1.415 10.049 0.950 1.00 0.00 C ATOM 507 O PRO A 35 -0.826 10.020 -0.128 1.00 0.00 O ATOM 508 CB PRO A 35 -0.042 10.483 3.010 1.00 0.00 C ATOM 509 CG PRO A 35 -0.317 11.189 4.288 1.00 0.00 C ATOM 510 CD PRO A 35 -1.795 11.483 4.297 1.00 0.00 C ATOM 0 HA PRO A 35 -0.639 11.922 1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.186 9.407 3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.987 10.637 2.686 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.038 10.571 5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.263 12.109 4.357 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.351 10.722 4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -2.010 12.439 4.774 1.00 0.00 H new ATOM 518 N ALA A 36 -2.405 9.209 1.262 1.00 0.00 N ATOM 519 CA ALA A 36 -2.867 8.184 0.327 1.00 0.00 C ATOM 520 C ALA A 36 -3.630 8.810 -0.840 1.00 0.00 C ATOM 521 O ALA A 36 -3.371 8.497 -2.005 1.00 0.00 O ATOM 522 CB ALA A 36 -3.742 7.165 1.046 1.00 0.00 C ATOM 0 H ALA A 36 -2.900 9.219 2.154 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.992 7.674 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.078 6.409 0.336 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.167 6.688 1.840 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.608 7.668 1.477 1.00 0.00 H new ATOM 528 N ASP A 37 -4.569 9.696 -0.513 1.00 0.00 N ATOM 529 CA ASP A 37 -5.380 10.382 -1.521 1.00 0.00 C ATOM 530 C ASP A 37 -4.546 11.382 -2.328 1.00 0.00 C ATOM 531 O ASP A 37 -4.831 11.628 -3.500 1.00 0.00 O ATOM 532 CB ASP A 37 -6.552 11.103 -0.850 1.00 0.00 C ATOM 533 CG ASP A 37 -7.600 11.575 -1.841 1.00 0.00 C ATOM 534 OD1 ASP A 37 -8.117 10.735 -2.610 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.908 12.784 -1.843 1.00 0.00 O ATOM 0 H ASP A 37 -4.789 9.958 0.448 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.762 9.629 -2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.018 10.433 -0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.174 11.960 -0.293 1.00 0.00 H new ATOM 540 N PHE A 38 -3.514 11.952 -1.696 1.00 0.00 N ATOM 541 CA PHE A 38 -2.637 12.925 -2.360 1.00 0.00 C ATOM 542 C PHE A 38 -1.944 12.317 -3.585 1.00 0.00 C ATOM 543 O PHE A 38 -1.538 13.042 -4.493 1.00 0.00 O ATOM 544 CB PHE A 38 -1.579 13.458 -1.385 1.00 0.00 C ATOM 545 CG PHE A 38 -2.139 14.162 -0.173 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.424 14.691 -0.176 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.374 14.289 0.976 1.00 0.00 C ATOM 548 CE1 PHE A 38 -3.929 15.329 0.940 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.875 14.927 2.094 1.00 0.00 C ATOM 550 CZ PHE A 38 -3.154 15.445 2.078 1.00 0.00 C ATOM 0 H PHE A 38 -3.265 11.757 -0.726 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.267 13.749 -2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.959 12.626 -1.051 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.926 14.147 -1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.035 14.602 -1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.373 13.884 0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.929 15.737 0.923 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.266 15.020 2.981 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.548 15.940 2.953 1.00 0.00 H new ATOM 560 N VAL A 39 -1.812 10.986 -3.605 1.00 0.00 N ATOM 561 CA VAL A 39 -1.171 10.293 -4.724 1.00 0.00 C ATOM 562 C VAL A 39 -2.194 9.937 -5.803 1.00 0.00 C ATOM 563 O VAL A 39 -1.866 9.892 -6.991 1.00 0.00 O ATOM 564 CB VAL A 39 -0.471 8.994 -4.263 1.00 0.00 C ATOM 565 CG1 VAL A 39 0.339 8.382 -5.398 1.00 0.00 C ATOM 566 CG2 VAL A 39 0.412 9.251 -3.050 1.00 0.00 C ATOM 0 H VAL A 39 -2.140 10.370 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.426 10.976 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.244 8.282 -3.974 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.822 7.469 -5.049 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.323 8.147 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.098 9.091 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.893 8.321 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.174 9.987 -3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.198 9.629 -2.230 1.00 0.00 H new ATOM 576 N GLY A 40 -3.431 9.681 -5.381 1.00 0.00 N ATOM 577 CA GLY A 40 -4.483 9.329 -6.317 1.00 0.00 C ATOM 578 C GLY A 40 -4.802 7.845 -6.302 1.00 0.00 C ATOM 579 O GLY A 40 -5.105 7.261 -7.345 1.00 0.00 O ATOM 0 H GLY A 40 -3.722 9.712 -4.404 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.384 9.893 -6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.183 9.623 -7.323 1.00 0.00 H new ATOM 583 N LEU A 41 -4.740 7.235 -5.116 1.00 0.00 N ATOM 584 CA LEU A 41 -5.031 5.814 -4.964 1.00 0.00 C ATOM 585 C LEU A 41 -6.520 5.539 -5.186 1.00 0.00 C ATOM 586 O LEU A 41 -7.295 6.453 -5.479 1.00 0.00 O ATOM 587 CB LEU A 41 -4.612 5.333 -3.567 1.00 0.00 C ATOM 588 CG LEU A 41 -3.255 4.625 -3.498 1.00 0.00 C ATOM 589 CD1 LEU A 41 -2.878 4.327 -2.052 1.00 0.00 C ATOM 590 CD2 LEU A 41 -3.276 3.345 -4.325 1.00 0.00 C ATOM 0 H LEU A 41 -4.490 7.707 -4.247 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.462 5.266 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.590 6.192 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.377 4.654 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.499 5.290 -3.917 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.911 3.824 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.818 5.260 -1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.635 3.683 -1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.304 2.856 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.044 2.675 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.495 3.587 -5.365 1.00 0.00 H new ATOM 602 N ARG A 42 -6.915 4.277 -5.032 1.00 0.00 N ATOM 603 CA ARG A 42 -8.302 3.871 -5.203 1.00 0.00 C ATOM 604 C ARG A 42 -8.558 2.556 -4.485 1.00 0.00 C ATOM 605 O ARG A 42 -7.792 1.599 -4.625 1.00 0.00 O ATOM 606 CB ARG A 42 -8.663 3.729 -6.688 1.00 0.00 C ATOM 607 CG ARG A 42 -7.683 2.886 -7.491 1.00 0.00 C ATOM 608 CD ARG A 42 -8.128 1.431 -7.579 1.00 0.00 C ATOM 609 NE ARG A 42 -8.114 0.935 -8.955 1.00 0.00 N ATOM 610 CZ ARG A 42 -9.084 1.169 -9.846 1.00 0.00 C ATOM 611 NH1 ARG A 42 -10.143 1.906 -9.517 1.00 0.00 N ATOM 612 NH2 ARG A 42 -8.990 0.670 -11.074 1.00 0.00 N ATOM 0 H ARG A 42 -6.285 3.514 -4.787 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.932 4.649 -4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.656 3.287 -6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.720 4.722 -7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.587 3.298 -8.496 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.697 2.937 -7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.472 0.814 -6.965 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.133 1.334 -7.169 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.315 0.376 -9.254 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.220 2.298 -8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.877 2.079 -10.204 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.179 0.109 -11.336 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.729 0.847 -11.755 1.00 0.00 H new ATOM 626 N ALA A 43 -9.637 2.520 -3.716 1.00 0.00 N ATOM 627 CA ALA A 43 -10.014 1.324 -2.967 1.00 0.00 C ATOM 628 C ALA A 43 -10.240 0.150 -3.918 1.00 0.00 C ATOM 629 O ALA A 43 -11.299 0.040 -4.541 1.00 0.00 O ATOM 630 CB ALA A 43 -11.264 1.592 -2.139 1.00 0.00 C ATOM 0 H ALA A 43 -10.272 3.309 -3.592 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.200 1.065 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.534 0.692 -1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.069 2.404 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.085 1.872 -2.799 1.00 0.00 H new ATOM 636 N GLY A 44 -9.230 -0.709 -4.043 1.00 0.00 N ATOM 637 CA GLY A 44 -9.327 -1.851 -4.938 1.00 0.00 C ATOM 638 C GLY A 44 -7.984 -2.245 -5.535 1.00 0.00 C ATOM 639 O GLY A 44 -7.788 -3.405 -5.906 1.00 0.00 O ATOM 0 H GLY A 44 -8.346 -0.634 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.741 -2.700 -4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.024 -1.618 -5.743 1.00 0.00 H new ATOM 643 N ASP A 45 -7.057 -1.283 -5.625 1.00 0.00 N ATOM 644 CA ASP A 45 -5.727 -1.537 -6.174 1.00 0.00 C ATOM 645 C ASP A 45 -5.038 -2.671 -5.418 1.00 0.00 C ATOM 646 O ASP A 45 -4.801 -2.570 -4.210 1.00 0.00 O ATOM 647 CB ASP A 45 -4.864 -0.267 -6.108 1.00 0.00 C ATOM 648 CG ASP A 45 -4.975 0.598 -7.354 1.00 0.00 C ATOM 649 OD1 ASP A 45 -5.288 0.059 -8.438 1.00 0.00 O ATOM 650 OD2 ASP A 45 -4.743 1.819 -7.242 1.00 0.00 O ATOM 0 H ASP A 45 -7.208 -0.321 -5.323 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.844 -1.831 -7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.159 0.320 -5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.822 -0.551 -5.962 1.00 0.00 H new ATOM 655 N GLN A 46 -4.726 -3.750 -6.134 1.00 0.00 N ATOM 656 CA GLN A 46 -4.073 -4.908 -5.530 1.00 0.00 C ATOM 657 C GLN A 46 -2.586 -4.640 -5.312 1.00 0.00 C ATOM 658 O GLN A 46 -1.854 -4.325 -6.254 1.00 0.00 O ATOM 659 CB GLN A 46 -4.268 -6.150 -6.408 1.00 0.00 C ATOM 660 CG GLN A 46 -5.689 -6.692 -6.387 1.00 0.00 C ATOM 661 CD GLN A 46 -5.878 -7.863 -7.336 1.00 0.00 C ATOM 662 OE1 GLN A 46 -6.430 -7.710 -8.424 1.00 0.00 O ATOM 663 NE2 GLN A 46 -5.423 -9.042 -6.924 1.00 0.00 N ATOM 0 H GLN A 46 -4.915 -3.846 -7.132 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.533 -5.091 -4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -3.996 -5.905 -7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.585 -6.931 -6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.940 -7.005 -5.374 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.383 -5.895 -6.655 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -4.971 -9.124 -6.013 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.526 -9.864 -7.519 1.00 0.00 H new ATOM 672 N ILE A 47 -2.145 -4.770 -4.061 1.00 0.00 N ATOM 673 CA ILE A 47 -0.747 -4.547 -3.703 1.00 0.00 C ATOM 674 C ILE A 47 0.109 -5.751 -4.094 1.00 0.00 C ATOM 675 O ILE A 47 -0.141 -6.872 -3.649 1.00 0.00 O ATOM 676 CB ILE A 47 -0.586 -4.283 -2.188 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.591 -3.228 -1.705 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.836 -3.843 -1.876 1.00 0.00 C ATOM 679 CD1 ILE A 47 -1.608 -3.048 -0.200 1.00 0.00 C ATOM 0 H ILE A 47 -2.741 -5.030 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.412 -3.666 -4.251 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.789 -5.213 -1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.355 -2.273 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.589 -3.510 -2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.934 -3.661 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.533 -4.625 -2.176 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.062 -2.927 -2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.341 -2.287 0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.874 -3.992 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.621 -2.735 0.140 1.00 0.00 H new ATOM 691 N LEU A 48 1.115 -5.510 -4.933 1.00 0.00 N ATOM 692 CA LEU A 48 2.005 -6.576 -5.388 1.00 0.00 C ATOM 693 C LEU A 48 3.324 -6.569 -4.616 1.00 0.00 C ATOM 694 O LEU A 48 3.787 -7.615 -4.167 1.00 0.00 O ATOM 695 CB LEU A 48 2.270 -6.448 -6.892 1.00 0.00 C ATOM 696 CG LEU A 48 1.017 -6.400 -7.773 1.00 0.00 C ATOM 697 CD1 LEU A 48 1.191 -5.392 -8.898 1.00 0.00 C ATOM 698 CD2 LEU A 48 0.707 -7.783 -8.333 1.00 0.00 C ATOM 0 H LEU A 48 1.334 -4.588 -5.311 1.00 0.00 H new ATOM 0 HA LEU A 48 1.508 -7.527 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.852 -5.543 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.886 -7.290 -7.209 1.00 0.00 H new ATOM 0 HG LEU A 48 0.175 -6.081 -7.158 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.291 -5.373 -9.512 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.363 -4.402 -8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.044 -5.677 -9.514 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.186 -7.731 -8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.549 -8.130 -8.932 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.536 -8.478 -7.511 1.00 0.00 H new ATOM 710 N ALA A 49 3.921 -5.386 -4.473 1.00 0.00 N ATOM 711 CA ALA A 49 5.189 -5.237 -3.756 1.00 0.00 C ATOM 712 C ALA A 49 5.137 -4.061 -2.776 1.00 0.00 C ATOM 713 O ALA A 49 4.607 -2.996 -3.098 1.00 0.00 O ATOM 714 CB ALA A 49 6.332 -5.049 -4.744 1.00 0.00 C ATOM 0 H ALA A 49 3.546 -4.514 -4.845 1.00 0.00 H new ATOM 0 HA ALA A 49 5.361 -6.147 -3.181 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.270 -4.939 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.393 -5.918 -5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.153 -4.155 -5.342 1.00 0.00 H new ATOM 720 N VAL A 50 5.702 -4.259 -1.583 1.00 0.00 N ATOM 721 CA VAL A 50 5.736 -3.219 -0.553 1.00 0.00 C ATOM 722 C VAL A 50 7.159 -3.050 -0.041 1.00 0.00 C ATOM 723 O VAL A 50 7.698 -3.948 0.608 1.00 0.00 O ATOM 724 CB VAL A 50 4.805 -3.543 0.639 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.592 -2.310 1.507 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.471 -4.092 0.154 1.00 0.00 C ATOM 0 H VAL A 50 6.144 -5.135 -1.306 1.00 0.00 H new ATOM 0 HA VAL A 50 5.382 -2.296 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 50 5.288 -4.310 1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.934 -2.560 2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.552 -1.967 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.137 -1.519 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.835 -4.312 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.982 -3.353 -0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.639 -5.005 -0.417 1.00 0.00 H new ATOM 736 N ASN A 51 7.776 -1.914 -0.365 1.00 0.00 N ATOM 737 CA ASN A 51 9.156 -1.642 0.033 1.00 0.00 C ATOM 738 C ASN A 51 10.112 -2.429 -0.871 1.00 0.00 C ATOM 739 O ASN A 51 11.194 -2.830 -0.450 1.00 0.00 O ATOM 740 CB ASN A 51 9.388 -1.996 1.511 1.00 0.00 C ATOM 741 CG ASN A 51 10.563 -1.249 2.122 1.00 0.00 C ATOM 742 OD1 ASN A 51 10.279 -0.158 2.828 1.00 0.00 O flip ATOM 743 ND2 ASN A 51 11.717 -1.647 1.964 1.00 0.00 N flip ATOM 0 H ASN A 51 7.340 -1.166 -0.904 1.00 0.00 H new ATOM 0 HA ASN A 51 9.351 -0.576 -0.081 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.486 -1.770 2.079 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.560 -3.069 1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.896 -2.488 1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 51 12.495 -1.135 2.381 1.00 0.00 H new ATOM 750 N GLU A 52 9.679 -2.636 -2.125 1.00 0.00 N ATOM 751 CA GLU A 52 10.449 -3.364 -3.141 1.00 0.00 C ATOM 752 C GLU A 52 10.314 -4.890 -3.012 1.00 0.00 C ATOM 753 O GLU A 52 10.866 -5.631 -3.832 1.00 0.00 O ATOM 754 CB GLU A 52 11.933 -2.932 -3.136 1.00 0.00 C ATOM 755 CG GLU A 52 12.889 -3.871 -2.391 1.00 0.00 C ATOM 756 CD GLU A 52 14.284 -3.904 -2.993 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.723 -2.876 -3.552 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.946 -4.960 -2.896 1.00 0.00 O ATOM 0 H GLU A 52 8.777 -2.299 -2.463 1.00 0.00 H new ATOM 0 HA GLU A 52 10.018 -3.095 -4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.271 -2.841 -4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.004 -1.940 -2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.957 -3.558 -1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.474 -4.879 -2.395 1.00 0.00 H new ATOM 765 N ILE A 53 9.580 -5.369 -1.999 1.00 0.00 N ATOM 766 CA ILE A 53 9.398 -6.806 -1.809 1.00 0.00 C ATOM 767 C ILE A 53 7.955 -7.231 -2.107 1.00 0.00 C ATOM 768 O ILE A 53 7.001 -6.654 -1.582 1.00 0.00 O ATOM 769 CB ILE A 53 9.793 -7.248 -0.380 1.00 0.00 C ATOM 770 CG1 ILE A 53 8.850 -6.645 0.664 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.236 -6.857 -0.084 1.00 0.00 C ATOM 772 CD1 ILE A 53 8.033 -7.681 1.402 1.00 0.00 C ATOM 0 H ILE A 53 9.109 -4.786 -1.307 1.00 0.00 H new ATOM 0 HA ILE A 53 10.061 -7.303 -2.517 1.00 0.00 H new ATOM 0 HB ILE A 53 9.706 -8.333 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.435 -6.073 1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.176 -5.944 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.499 -7.175 0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.899 -7.341 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.343 -5.775 -0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.386 -7.186 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.422 -8.237 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.701 -8.368 1.922 1.00 0.00 H new ATOM 784 N ASN A 54 7.813 -8.244 -2.963 1.00 0.00 N ATOM 785 CA ASN A 54 6.509 -8.762 -3.359 1.00 0.00 C ATOM 786 C ASN A 54 5.774 -9.396 -2.180 1.00 0.00 C ATOM 787 O ASN A 54 6.387 -10.037 -1.322 1.00 0.00 O ATOM 788 CB ASN A 54 6.664 -9.789 -4.484 1.00 0.00 C ATOM 789 CG ASN A 54 6.496 -9.176 -5.862 1.00 0.00 C ATOM 790 OD1 ASN A 54 7.448 -8.654 -6.440 1.00 0.00 O ATOM 791 ND2 ASN A 54 5.281 -9.232 -6.396 1.00 0.00 N ATOM 0 H ASN A 54 8.599 -8.726 -3.399 1.00 0.00 H new ATOM 0 HA ASN A 54 5.916 -7.920 -3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.648 -10.253 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.928 -10.582 -4.351 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.111 -8.833 -7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.518 -9.674 -5.883 1.00 0.00 H new ATOM 798 N VAL A 55 4.459 -9.205 -2.153 1.00 0.00 N ATOM 799 CA VAL A 55 3.613 -9.741 -1.085 1.00 0.00 C ATOM 800 C VAL A 55 2.235 -10.160 -1.617 1.00 0.00 C ATOM 801 O VAL A 55 1.205 -9.612 -1.215 1.00 0.00 O ATOM 802 CB VAL A 55 3.432 -8.707 0.049 1.00 0.00 C ATOM 803 CG1 VAL A 55 4.728 -8.533 0.831 1.00 0.00 C ATOM 804 CG2 VAL A 55 2.957 -7.371 -0.508 1.00 0.00 C ATOM 0 H VAL A 55 3.950 -8.679 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 55 4.118 -10.622 -0.690 1.00 0.00 H new ATOM 0 HB VAL A 55 2.669 -9.082 0.731 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.579 -7.801 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.020 -9.488 1.268 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.514 -8.186 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.836 -6.659 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.693 -6.990 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.002 -7.507 -1.015 1.00 0.00 H new ATOM 814 N LYS A 56 2.223 -11.137 -2.525 1.00 0.00 N ATOM 815 CA LYS A 56 0.970 -11.628 -3.110 1.00 0.00 C ATOM 816 C LYS A 56 0.154 -12.428 -2.095 1.00 0.00 C ATOM 817 O LYS A 56 -1.074 -12.335 -2.071 1.00 0.00 O ATOM 818 CB LYS A 56 1.234 -12.487 -4.351 1.00 0.00 C ATOM 819 CG LYS A 56 2.155 -11.838 -5.374 1.00 0.00 C ATOM 820 CD LYS A 56 3.112 -12.854 -5.978 1.00 0.00 C ATOM 821 CE LYS A 56 3.046 -12.855 -7.499 1.00 0.00 C ATOM 822 NZ LYS A 56 3.089 -14.235 -8.057 1.00 0.00 N ATOM 0 H LYS A 56 3.061 -11.603 -2.871 1.00 0.00 H new ATOM 0 HA LYS A 56 0.394 -10.751 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.669 -13.436 -4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.282 -12.716 -4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.560 -11.381 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.723 -11.038 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.130 -12.630 -5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.871 -13.849 -5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.130 -12.361 -7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.879 -12.276 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.042 -14.191 -9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.975 -14.698 -7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.280 -14.781 -7.696 1.00 0.00 H new ATOM 836 N LYS A 57 0.843 -13.211 -1.261 1.00 0.00 N ATOM 837 CA LYS A 57 0.182 -14.020 -0.237 1.00 0.00 C ATOM 838 C LYS A 57 0.971 -13.986 1.077 1.00 0.00 C ATOM 839 O LYS A 57 0.993 -14.967 1.825 1.00 0.00 O ATOM 840 CB LYS A 57 0.025 -15.469 -0.719 1.00 0.00 C ATOM 841 CG LYS A 57 -0.956 -15.633 -1.872 1.00 0.00 C ATOM 842 CD LYS A 57 -1.780 -16.905 -1.729 1.00 0.00 C ATOM 843 CE LYS A 57 -2.253 -17.423 -3.082 1.00 0.00 C ATOM 844 NZ LYS A 57 -1.655 -18.749 -3.418 1.00 0.00 N ATOM 0 H LYS A 57 1.859 -13.301 -1.276 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.807 -13.598 -0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.000 -15.846 -1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.305 -16.086 0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.621 -14.770 -1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.410 -15.657 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.184 -17.671 -1.234 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.643 -16.711 -1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.340 -17.507 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.992 -16.702 -3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.005 -19.062 -4.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.619 -18.665 -3.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.924 -19.445 -2.694 1.00 0.00 H new ATOM 858 N ALA A 58 1.619 -12.849 1.352 1.00 0.00 N ATOM 859 CA ALA A 58 2.406 -12.680 2.564 1.00 0.00 C ATOM 860 C ALA A 58 1.516 -12.437 3.782 1.00 0.00 C ATOM 861 O ALA A 58 0.289 -12.400 3.670 1.00 0.00 O ATOM 862 CB ALA A 58 3.396 -11.533 2.393 1.00 0.00 C ATOM 0 H ALA A 58 1.609 -12.031 0.743 1.00 0.00 H new ATOM 0 HA ALA A 58 2.957 -13.604 2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.979 -11.416 3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.065 -11.751 1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.852 -10.610 2.189 1.00 0.00 H new ATOM 868 N SER A 59 2.145 -12.269 4.943 1.00 0.00 N ATOM 869 CA SER A 59 1.420 -12.026 6.186 1.00 0.00 C ATOM 870 C SER A 59 1.284 -10.538 6.446 1.00 0.00 C ATOM 871 O SER A 59 2.231 -9.769 6.283 1.00 0.00 O ATOM 872 CB SER A 59 2.123 -12.704 7.366 1.00 0.00 C ATOM 873 OG SER A 59 3.522 -12.795 7.152 1.00 0.00 O ATOM 0 H SER A 59 3.159 -12.297 5.048 1.00 0.00 H new ATOM 0 HA SER A 59 0.423 -12.454 6.082 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.929 -12.141 8.279 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.710 -13.702 7.513 1.00 0.00 H new ATOM 0 HG SER A 59 3.943 -13.230 7.922 1.00 0.00 H new ATOM 879 N HIS A 60 0.082 -10.150 6.843 1.00 0.00 N ATOM 880 CA HIS A 60 -0.232 -8.761 7.128 1.00 0.00 C ATOM 881 C HIS A 60 0.737 -8.152 8.138 1.00 0.00 C ATOM 882 O HIS A 60 1.202 -7.029 7.953 1.00 0.00 O ATOM 883 CB HIS A 60 -1.661 -8.664 7.639 1.00 0.00 C ATOM 884 CG HIS A 60 -2.335 -7.381 7.273 1.00 0.00 C ATOM 885 ND1 HIS A 60 -2.755 -7.090 5.996 1.00 0.00 N ATOM 886 CD2 HIS A 60 -2.643 -6.298 8.026 1.00 0.00 C ATOM 887 CE1 HIS A 60 -3.289 -5.883 5.975 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.237 -5.381 7.195 1.00 0.00 N ATOM 0 H HIS A 60 -0.702 -10.789 6.976 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.130 -8.192 6.204 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.240 -9.497 7.239 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.659 -8.769 8.724 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.456 -6.178 9.083 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.699 -5.389 5.106 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.582 -4.462 7.474 1.00 0.00 H new ATOM 897 N GLU A 61 1.041 -8.901 9.197 1.00 0.00 N ATOM 898 CA GLU A 61 1.966 -8.433 10.231 1.00 0.00 C ATOM 899 C GLU A 61 3.356 -8.190 9.650 1.00 0.00 C ATOM 900 O GLU A 61 4.038 -7.238 10.032 1.00 0.00 O ATOM 901 CB GLU A 61 2.044 -9.442 11.378 1.00 0.00 C ATOM 902 CG GLU A 61 0.845 -9.398 12.311 1.00 0.00 C ATOM 903 CD GLU A 61 1.241 -9.235 13.766 1.00 0.00 C ATOM 904 OE1 GLU A 61 1.496 -8.086 14.187 1.00 0.00 O ATOM 905 OE2 GLU A 61 1.292 -10.254 14.483 1.00 0.00 O ATOM 0 H GLU A 61 0.661 -9.833 9.362 1.00 0.00 H new ATOM 0 HA GLU A 61 1.586 -7.488 10.619 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.133 -10.446 10.962 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.950 -9.254 11.955 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.194 -8.573 12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.267 -10.315 12.197 1.00 0.00 H new ATOM 912 N ASP A 62 3.763 -9.039 8.710 1.00 0.00 N ATOM 913 CA ASP A 62 5.063 -8.887 8.069 1.00 0.00 C ATOM 914 C ASP A 62 5.044 -7.678 7.138 1.00 0.00 C ATOM 915 O ASP A 62 6.005 -6.912 7.082 1.00 0.00 O ATOM 916 CB ASP A 62 5.436 -10.147 7.285 1.00 0.00 C ATOM 917 CG ASP A 62 6.920 -10.447 7.348 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.403 -10.831 8.434 1.00 0.00 O ATOM 919 OD2 ASP A 62 7.600 -10.298 6.311 1.00 0.00 O ATOM 0 H ASP A 62 3.215 -9.833 8.378 1.00 0.00 H new ATOM 0 HA ASP A 62 5.813 -8.733 8.844 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.879 -10.996 7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.136 -10.026 6.244 1.00 0.00 H new ATOM 924 N VAL A 63 3.934 -7.514 6.420 1.00 0.00 N ATOM 925 CA VAL A 63 3.777 -6.396 5.494 1.00 0.00 C ATOM 926 C VAL A 63 3.745 -5.064 6.239 1.00 0.00 C ATOM 927 O VAL A 63 4.395 -4.103 5.824 1.00 0.00 O ATOM 928 CB VAL A 63 2.500 -6.533 4.630 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.411 -5.398 3.619 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.463 -7.884 3.924 1.00 0.00 C ATOM 0 H VAL A 63 3.131 -8.141 6.462 1.00 0.00 H new ATOM 0 HA VAL A 63 4.643 -6.418 4.832 1.00 0.00 H new ATOM 0 HB VAL A 63 1.636 -6.472 5.292 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.506 -5.513 3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.380 -4.444 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.283 -5.424 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.556 -7.956 3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.335 -7.981 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.471 -8.683 4.666 1.00 0.00 H new ATOM 940 N VAL A 64 3.015 -5.015 7.356 1.00 0.00 N ATOM 941 CA VAL A 64 2.930 -3.809 8.160 1.00 0.00 C ATOM 942 C VAL A 64 4.290 -3.490 8.755 1.00 0.00 C ATOM 943 O VAL A 64 4.685 -2.329 8.834 1.00 0.00 O ATOM 944 CB VAL A 64 1.868 -3.921 9.280 1.00 0.00 C ATOM 945 CG1 VAL A 64 0.470 -4.041 8.692 1.00 0.00 C ATOM 946 CG2 VAL A 64 2.162 -5.085 10.213 1.00 0.00 C ATOM 0 H VAL A 64 2.476 -5.801 7.719 1.00 0.00 H new ATOM 0 HA VAL A 64 2.616 -2.998 7.503 1.00 0.00 H new ATOM 0 HB VAL A 64 1.915 -3.005 9.869 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.259 -4.118 9.499 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.252 -3.159 8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.414 -4.931 8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.396 -5.133 10.987 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.163 -6.015 9.645 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.138 -4.942 10.677 1.00 0.00 H new ATOM 956 N LYS A 65 5.010 -4.539 9.163 1.00 0.00 N ATOM 957 CA LYS A 65 6.336 -4.375 9.742 1.00 0.00 C ATOM 958 C LYS A 65 7.272 -3.655 8.774 1.00 0.00 C ATOM 959 O LYS A 65 8.048 -2.787 9.181 1.00 0.00 O ATOM 960 CB LYS A 65 6.934 -5.733 10.132 1.00 0.00 C ATOM 961 CG LYS A 65 7.099 -5.924 11.633 1.00 0.00 C ATOM 962 CD LYS A 65 7.855 -7.205 11.955 1.00 0.00 C ATOM 963 CE LYS A 65 9.322 -7.109 11.554 1.00 0.00 C ATOM 964 NZ LYS A 65 10.189 -8.004 12.376 1.00 0.00 N ATOM 0 H LYS A 65 4.693 -5.507 9.101 1.00 0.00 H new ATOM 0 HA LYS A 65 6.230 -3.767 10.640 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.296 -6.526 9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.907 -5.842 9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.632 -5.071 12.052 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.118 -5.951 12.107 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.782 -7.412 13.023 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.390 -8.043 11.436 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.427 -7.370 10.501 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.660 -6.078 11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.178 -7.907 12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.110 -7.739 13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.884 -8.991 12.254 1.00 0.00 H new ATOM 978 N LEU A 66 7.190 -4.013 7.493 1.00 0.00 N ATOM 979 CA LEU A 66 8.027 -3.393 6.466 1.00 0.00 C ATOM 980 C LEU A 66 7.633 -1.933 6.258 1.00 0.00 C ATOM 981 O LEU A 66 8.493 -1.065 6.098 1.00 0.00 O ATOM 982 CB LEU A 66 7.918 -4.161 5.145 1.00 0.00 C ATOM 983 CG LEU A 66 8.312 -5.639 5.214 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.436 -6.473 4.290 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.785 -5.817 4.865 1.00 0.00 C ATOM 0 H LEU A 66 6.553 -4.728 7.142 1.00 0.00 H new ATOM 0 HA LEU A 66 9.062 -3.429 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.891 -4.092 4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.547 -3.668 4.404 1.00 0.00 H new ATOM 0 HG LEU A 66 8.157 -5.987 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.733 -7.520 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.393 -6.372 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.554 -6.125 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.047 -6.874 4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.967 -5.450 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.397 -5.255 5.571 1.00 0.00 H new ATOM 997 N ILE A 67 6.327 -1.668 6.267 1.00 0.00 N ATOM 998 CA ILE A 67 5.814 -0.314 6.089 1.00 0.00 C ATOM 999 C ILE A 67 6.148 0.551 7.303 1.00 0.00 C ATOM 1000 O ILE A 67 6.549 1.706 7.160 1.00 0.00 O ATOM 1001 CB ILE A 67 4.283 -0.301 5.860 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.887 -1.274 4.740 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.801 1.106 5.528 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.494 -1.842 4.893 1.00 0.00 C ATOM 0 H ILE A 67 5.605 -2.377 6.396 1.00 0.00 H new ATOM 0 HA ILE A 67 6.297 0.094 5.201 1.00 0.00 H new ATOM 0 HB ILE A 67 3.804 -0.626 6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.957 -0.759 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.604 -2.095 4.714 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.722 1.093 5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.040 1.777 6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.296 1.456 4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.285 -2.520 4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.424 -2.386 5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.767 -1.030 4.889 1.00 0.00 H new ATOM 1016 N GLY A 68 5.989 -0.024 8.495 1.00 0.00 N ATOM 1017 CA GLY A 68 6.280 0.703 9.720 1.00 0.00 C ATOM 1018 C GLY A 68 7.769 0.805 10.024 1.00 0.00 C ATOM 1019 O GLY A 68 8.158 1.466 10.990 1.00 0.00 O ATOM 0 H GLY A 68 5.664 -0.981 8.633 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.862 1.707 9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.779 0.210 10.554 1.00 0.00 H new ATOM 1023 N LYS A 69 8.601 0.158 9.204 1.00 0.00 N ATOM 1024 CA LYS A 69 10.050 0.189 9.400 1.00 0.00 C ATOM 1025 C LYS A 69 10.663 1.491 8.877 1.00 0.00 C ATOM 1026 O LYS A 69 11.604 2.018 9.472 1.00 0.00 O ATOM 1027 CB LYS A 69 10.701 -1.014 8.710 1.00 0.00 C ATOM 1028 CG LYS A 69 12.191 -1.143 8.983 1.00 0.00 C ATOM 1029 CD LYS A 69 12.606 -2.595 9.149 1.00 0.00 C ATOM 1030 CE LYS A 69 13.618 -2.758 10.269 1.00 0.00 C ATOM 1031 NZ LYS A 69 14.096 -4.163 10.387 1.00 0.00 N ATOM 0 H LYS A 69 8.296 -0.392 8.401 1.00 0.00 H new ATOM 0 HA LYS A 69 10.242 0.138 10.472 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.200 -1.925 9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.543 -0.934 7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.752 -0.695 8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.446 -0.586 9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.727 -3.204 9.359 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.032 -2.962 8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.468 -2.100 10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.169 -2.447 11.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.785 -4.231 11.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.289 -4.789 10.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.548 -4.452 9.496 1.00 0.00 H new ATOM 1045 N CYS A 70 10.126 2.001 7.770 1.00 0.00 N ATOM 1046 CA CYS A 70 10.626 3.241 7.178 1.00 0.00 C ATOM 1047 C CYS A 70 10.361 4.429 8.098 1.00 0.00 C ATOM 1048 O CYS A 70 11.294 5.101 8.543 1.00 0.00 O ATOM 1049 CB CYS A 70 9.984 3.476 5.804 1.00 0.00 C ATOM 1050 SG CYS A 70 11.074 4.300 4.620 1.00 0.00 S ATOM 0 H CYS A 70 9.347 1.577 7.266 1.00 0.00 H new ATOM 0 HA CYS A 70 11.704 3.144 7.048 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.672 2.517 5.390 1.00 0.00 H new ATOM 0 HB3 CYS A 70 9.083 4.076 5.932 1.00 0.00 H new ATOM 0 HG CYS A 70 10.360 4.985 3.777 1.00 0.00 H new ATOM 1056 N SER A 71 9.082 4.678 8.373 1.00 0.00 N ATOM 1057 CA SER A 71 8.664 5.782 9.241 1.00 0.00 C ATOM 1058 C SER A 71 8.864 7.132 8.550 1.00 0.00 C ATOM 1059 O SER A 71 9.162 8.140 9.196 1.00 0.00 O ATOM 1060 CB SER A 71 9.428 5.743 10.573 1.00 0.00 C ATOM 1061 OG SER A 71 8.542 5.624 11.669 1.00 0.00 O ATOM 0 H SER A 71 8.309 4.125 8.004 1.00 0.00 H new ATOM 0 HA SER A 71 7.600 5.661 9.447 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.123 4.904 10.572 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.023 6.650 10.680 1.00 0.00 H new ATOM 0 HG SER A 71 9.055 5.600 12.503 1.00 0.00 H new ATOM 1067 N GLY A 72 8.690 7.140 7.229 1.00 0.00 N ATOM 1068 CA GLY A 72 8.848 8.361 6.457 1.00 0.00 C ATOM 1069 C GLY A 72 8.128 8.293 5.123 1.00 0.00 C ATOM 1070 O GLY A 72 7.370 9.200 4.773 1.00 0.00 O ATOM 0 H GLY A 72 8.441 6.318 6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.465 9.204 7.032 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.909 8.546 6.287 1.00 0.00 H new ATOM 1074 N VAL A 73 8.364 7.208 4.382 1.00 0.00 N ATOM 1075 CA VAL A 73 7.735 7.017 3.079 1.00 0.00 C ATOM 1076 C VAL A 73 8.072 5.654 2.485 1.00 0.00 C ATOM 1077 O VAL A 73 9.233 5.239 2.463 1.00 0.00 O ATOM 1078 CB VAL A 73 8.142 8.122 2.086 1.00 0.00 C ATOM 1079 CG1 VAL A 73 9.657 8.197 1.935 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.472 7.912 0.736 1.00 0.00 C ATOM 0 H VAL A 73 8.986 6.450 4.664 1.00 0.00 H new ATOM 0 HA VAL A 73 6.659 7.071 3.245 1.00 0.00 H new ATOM 0 HB VAL A 73 7.800 9.075 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.914 8.986 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.109 8.416 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.034 7.243 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.775 8.705 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.771 6.947 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.389 7.934 0.860 1.00 0.00 H new ATOM 1090 N LEU A 74 7.043 4.964 2.002 1.00 0.00 N ATOM 1091 CA LEU A 74 7.213 3.647 1.399 1.00 0.00 C ATOM 1092 C LEU A 74 6.865 3.656 -0.087 1.00 0.00 C ATOM 1093 O LEU A 74 6.072 4.482 -0.546 1.00 0.00 O ATOM 1094 CB LEU A 74 6.354 2.612 2.124 1.00 0.00 C ATOM 1095 CG LEU A 74 7.138 1.446 2.722 1.00 0.00 C ATOM 1096 CD1 LEU A 74 7.630 1.795 4.117 1.00 0.00 C ATOM 1097 CD2 LEU A 74 6.287 0.186 2.744 1.00 0.00 C ATOM 0 H LEU A 74 6.079 5.297 2.017 1.00 0.00 H new ATOM 0 HA LEU A 74 8.265 3.378 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.803 3.110 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.616 2.217 1.426 1.00 0.00 H new ATOM 0 HG LEU A 74 8.008 1.255 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.187 0.953 4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.280 2.669 4.066 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.777 2.014 4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.862 -0.634 3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.396 0.359 3.348 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.992 -0.071 1.727 1.00 0.00 H new ATOM 1109 N HIS A 75 7.456 2.717 -0.824 1.00 0.00 N ATOM 1110 CA HIS A 75 7.211 2.585 -2.259 1.00 0.00 C ATOM 1111 C HIS A 75 6.403 1.320 -2.538 1.00 0.00 C ATOM 1112 O HIS A 75 6.953 0.215 -2.584 1.00 0.00 O ATOM 1113 CB HIS A 75 8.538 2.551 -3.032 1.00 0.00 C ATOM 1114 CG HIS A 75 9.523 3.589 -2.586 1.00 0.00 C ATOM 1115 ND1 HIS A 75 10.471 3.357 -1.609 1.00 0.00 N ATOM 1116 CD2 HIS A 75 9.701 4.872 -2.982 1.00 0.00 C ATOM 1117 CE1 HIS A 75 11.187 4.452 -1.426 1.00 0.00 C ATOM 1118 NE2 HIS A 75 10.740 5.385 -2.245 1.00 0.00 N ATOM 0 H HIS A 75 8.112 2.032 -0.448 1.00 0.00 H new ATOM 0 HA HIS A 75 6.640 3.450 -2.595 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.988 1.564 -2.920 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.333 2.690 -4.094 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.132 5.394 -3.737 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.001 4.565 -0.725 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.107 6.334 -2.319 1.00 0.00 H new ATOM 1127 N MET A 76 5.092 1.488 -2.702 1.00 0.00 N ATOM 1128 CA MET A 76 4.194 0.369 -2.961 1.00 0.00 C ATOM 1129 C MET A 76 3.902 0.225 -4.450 1.00 0.00 C ATOM 1130 O MET A 76 3.503 1.187 -5.108 1.00 0.00 O ATOM 1131 CB MET A 76 2.885 0.557 -2.188 1.00 0.00 C ATOM 1132 CG MET A 76 2.260 -0.745 -1.715 1.00 0.00 C ATOM 1133 SD MET A 76 0.893 -0.480 -0.568 1.00 0.00 S ATOM 1134 CE MET A 76 1.706 0.478 0.709 1.00 0.00 C ATOM 0 H MET A 76 4.628 2.395 -2.659 1.00 0.00 H new ATOM 0 HA MET A 76 4.687 -0.543 -2.623 1.00 0.00 H new ATOM 0 HB2 MET A 76 3.073 1.194 -1.324 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.171 1.082 -2.823 1.00 0.00 H new ATOM 0 HG2 MET A 76 1.902 -1.307 -2.578 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.023 -1.355 -1.231 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.302 0.202 1.683 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.777 0.276 0.689 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.534 1.540 0.532 1.00 0.00 H new ATOM 1144 N VAL A 77 4.093 -0.983 -4.972 1.00 0.00 N ATOM 1145 CA VAL A 77 3.840 -1.257 -6.382 1.00 0.00 C ATOM 1146 C VAL A 77 2.559 -2.074 -6.544 1.00 0.00 C ATOM 1147 O VAL A 77 2.570 -3.301 -6.422 1.00 0.00 O ATOM 1148 CB VAL A 77 5.024 -2.004 -7.037 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.833 -2.102 -8.542 1.00 0.00 C ATOM 1150 CG2 VAL A 77 6.343 -1.313 -6.709 1.00 0.00 C ATOM 0 H VAL A 77 4.422 -1.788 -4.439 1.00 0.00 H new ATOM 0 HA VAL A 77 3.723 -0.298 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 77 5.055 -3.015 -6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.678 -2.631 -8.982 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.913 -2.645 -8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.771 -1.100 -8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.164 -1.854 -7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.321 -0.290 -7.084 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.488 -1.300 -5.629 1.00 0.00 H new ATOM 1160 N ILE A 78 1.454 -1.376 -6.805 1.00 0.00 N ATOM 1161 CA ILE A 78 0.153 -2.020 -6.974 1.00 0.00 C ATOM 1162 C ILE A 78 -0.211 -2.168 -8.452 1.00 0.00 C ATOM 1163 O ILE A 78 0.463 -1.619 -9.328 1.00 0.00 O ATOM 1164 CB ILE A 78 -0.969 -1.235 -6.250 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -1.124 0.174 -6.841 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -0.687 -1.157 -4.756 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -1.965 0.218 -8.099 1.00 0.00 C ATOM 0 H ILE A 78 1.435 -0.361 -6.904 1.00 0.00 H new ATOM 0 HA ILE A 78 0.237 -3.011 -6.527 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.907 -1.770 -6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.573 0.825 -6.091 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.135 0.577 -7.061 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.485 -0.602 -4.264 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.636 -2.164 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.263 -0.649 -4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.029 1.245 -8.458 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.506 -0.406 -8.866 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.966 -0.153 -7.881 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.286 -2.911 -8.718 1.00 0.00 N ATOM 1180 CA ALA A 79 -1.755 -3.130 -10.083 1.00 0.00 C ATOM 1181 C ALA A 79 -3.209 -2.698 -10.244 1.00 0.00 C ATOM 1182 O ALA A 79 -4.022 -2.871 -9.333 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.596 -4.593 -10.466 1.00 0.00 C ATOM 0 H ALA A 79 -1.848 -3.372 -8.003 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.146 -2.519 -10.750 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.949 -4.743 -11.486 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.545 -4.874 -10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.180 -5.213 -9.785 1.00 0.00 H new ATOM 1189 N GLU A 80 -3.531 -2.137 -11.409 1.00 0.00 N ATOM 1190 CA GLU A 80 -4.887 -1.680 -11.697 1.00 0.00 C ATOM 1191 C GLU A 80 -5.648 -2.711 -12.527 1.00 0.00 C ATOM 1192 O GLU A 80 -5.060 -3.651 -13.067 1.00 0.00 O ATOM 1193 CB GLU A 80 -4.849 -0.340 -12.439 1.00 0.00 C ATOM 1194 CG GLU A 80 -5.135 0.861 -11.548 1.00 0.00 C ATOM 1195 CD GLU A 80 -5.711 2.036 -12.314 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -6.877 1.944 -12.756 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -4.998 3.049 -12.469 1.00 0.00 O ATOM 0 H GLU A 80 -2.868 -1.988 -12.170 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.407 -1.550 -10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.868 -0.216 -12.897 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.578 -0.362 -13.249 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.832 0.568 -10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.213 1.171 -11.056 1.00 0.00 H new