USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 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 Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0574 USER MOD Single : A 32 GLN : amide:sc= -0.967 K(o=-0.97,f=-4.9!) USER MOD Single : A 34 GLN : amide:sc= -2.99! C(o=-3!,f=-3!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.106 USER MOD Single : A 61 CYS SG : rot 82:sc= 0.27 USER MOD Single : A 65 GLN : amide:sc=-0.00979 X(o=-0.0098,f=0) USER MOD Single : A 71 MET CE :methyl -154:sc= -0.112 (180deg=-0.692) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.272 F(o=-2.7!,f=-0.27) USER MOD Single : A 78 THR OG1 : rot 140:sc= -1.03 USER MOD Single : A 81 SER OG : rot 141:sc= 0.732 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.763 X(o=-0.76,f=-0.46) USER MOD Single : A 93 SER OG : rot 72:sc= 0.0479 USER MOD Single : A 94 SER OG : rot 70:sc= 0.905 USER MOD Single : A 96 THR OG1 : rot -22:sc= 0.68 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.800 -11.224 -2.496 1.00 0.00 N ATOM 133 CA HIS A 13 13.551 -10.484 -1.271 1.00 0.00 C ATOM 134 C HIS A 13 12.545 -9.364 -1.543 1.00 0.00 C ATOM 135 O HIS A 13 12.269 -9.039 -2.697 1.00 0.00 O ATOM 136 CB HIS A 13 14.861 -9.971 -0.670 1.00 0.00 C ATOM 137 CG HIS A 13 15.560 -8.933 -1.516 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.378 -9.262 -2.582 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.553 -7.571 -1.442 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.838 -8.141 -3.118 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.326 -7.094 -2.409 1.00 0.00 N ATOM 0 HA HIS A 13 13.112 -11.146 -0.525 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.656 -9.546 0.313 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.534 -10.815 -0.518 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.010 -6.981 -0.719 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.502 -8.069 -3.967 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.508 -6.107 -2.592 1.00 0.00 H new ATOM 149 N THR A 14 12.024 -8.803 -0.462 1.00 0.00 N ATOM 150 CA THR A 14 11.055 -7.726 -0.570 1.00 0.00 C ATOM 151 C THR A 14 11.484 -6.534 0.287 1.00 0.00 C ATOM 152 O THR A 14 12.046 -6.712 1.367 1.00 0.00 O ATOM 153 CB THR A 14 9.683 -8.285 -0.189 1.00 0.00 C ATOM 154 OG1 THR A 14 9.966 -9.234 0.836 1.00 0.00 O ATOM 155 CG2 THR A 14 9.059 -9.121 -1.309 1.00 0.00 C ATOM 0 H THR A 14 12.255 -9.074 0.494 1.00 0.00 H new ATOM 0 HA THR A 14 10.997 -7.348 -1.591 1.00 0.00 H new ATOM 0 HB THR A 14 9.015 -7.462 0.065 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.130 -9.644 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.087 -9.494 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.934 -8.503 -2.198 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.711 -9.963 -1.541 1.00 0.00 H new ATOM 163 N GLU A 15 11.204 -5.345 -0.226 1.00 0.00 N ATOM 164 CA GLU A 15 11.555 -4.124 0.479 1.00 0.00 C ATOM 165 C GLU A 15 10.292 -3.345 0.852 1.00 0.00 C ATOM 166 O GLU A 15 9.183 -3.754 0.511 1.00 0.00 O ATOM 167 CB GLU A 15 12.504 -3.262 -0.356 1.00 0.00 C ATOM 168 CG GLU A 15 13.935 -3.348 0.177 1.00 0.00 C ATOM 169 CD GLU A 15 14.205 -2.245 1.203 1.00 0.00 C ATOM 170 OE1 GLU A 15 14.605 -1.146 0.762 1.00 0.00 O ATOM 171 OE2 GLU A 15 14.006 -2.526 2.404 1.00 0.00 O ATOM 0 H GLU A 15 10.738 -5.201 -1.122 1.00 0.00 H new ATOM 0 HA GLU A 15 12.076 -4.395 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.479 -3.590 -1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.168 -2.225 -0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.098 -4.324 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.641 -3.262 -0.649 1.00 0.00 H new ATOM 178 N THR A 16 10.502 -2.237 1.548 1.00 0.00 N ATOM 179 CA THR A 16 9.394 -1.398 1.971 1.00 0.00 C ATOM 180 C THR A 16 9.666 0.064 1.613 1.00 0.00 C ATOM 181 O THR A 16 10.795 0.537 1.735 1.00 0.00 O ATOM 182 CB THR A 16 9.172 -1.627 3.467 1.00 0.00 C ATOM 183 OG1 THR A 16 10.470 -1.937 3.967 1.00 0.00 O ATOM 184 CG2 THR A 16 8.352 -2.887 3.752 1.00 0.00 C ATOM 0 H THR A 16 11.423 -1.901 1.829 1.00 0.00 H new ATOM 0 HA THR A 16 8.475 -1.662 1.448 1.00 0.00 H new ATOM 0 HB THR A 16 8.667 -0.761 3.895 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.419 -2.099 4.932 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.224 -3.002 4.828 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.375 -2.800 3.278 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.873 -3.758 3.353 1.00 0.00 H new ATOM 192 N THR A 17 8.612 0.740 1.179 1.00 0.00 N ATOM 193 CA THR A 17 8.723 2.139 0.803 1.00 0.00 C ATOM 194 C THR A 17 7.696 2.979 1.565 1.00 0.00 C ATOM 195 O THR A 17 6.566 2.543 1.775 1.00 0.00 O ATOM 196 CB THR A 17 8.578 2.233 -0.717 1.00 0.00 C ATOM 197 OG1 THR A 17 8.886 3.593 -1.012 1.00 0.00 O ATOM 198 CG2 THR A 17 7.128 2.071 -1.178 1.00 0.00 C ATOM 0 H THR A 17 7.677 0.345 1.079 1.00 0.00 H new ATOM 0 HA THR A 17 9.696 2.546 1.077 1.00 0.00 H new ATOM 0 HB THR A 17 9.196 1.469 -1.188 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.818 3.742 -1.978 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.081 2.146 -2.264 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.753 1.096 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.515 2.855 -0.733 1.00 0.00 H new ATOM 206 N GLU A 18 8.127 4.169 1.957 1.00 0.00 N ATOM 207 CA GLU A 18 7.259 5.074 2.691 1.00 0.00 C ATOM 208 C GLU A 18 6.633 6.097 1.740 1.00 0.00 C ATOM 209 O GLU A 18 7.344 6.829 1.055 1.00 0.00 O ATOM 210 CB GLU A 18 8.021 5.771 3.820 1.00 0.00 C ATOM 211 CG GLU A 18 7.177 6.880 4.449 1.00 0.00 C ATOM 212 CD GLU A 18 7.893 8.230 4.364 1.00 0.00 C ATOM 213 OE1 GLU A 18 9.120 8.237 4.604 1.00 0.00 O ATOM 214 OE2 GLU A 18 7.198 9.223 4.062 1.00 0.00 O ATOM 0 H GLU A 18 9.065 4.527 1.780 1.00 0.00 H new ATOM 0 HA GLU A 18 6.458 4.490 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.296 5.042 4.582 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.949 6.191 3.432 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.215 6.942 3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.972 6.638 5.492 1.00 0.00 H new ATOM 221 N VAL A 19 5.308 6.113 1.730 1.00 0.00 N ATOM 222 CA VAL A 19 4.578 7.034 0.875 1.00 0.00 C ATOM 223 C VAL A 19 4.206 8.282 1.677 1.00 0.00 C ATOM 224 O VAL A 19 3.507 8.191 2.685 1.00 0.00 O ATOM 225 CB VAL A 19 3.363 6.330 0.266 1.00 0.00 C ATOM 226 CG1 VAL A 19 2.765 7.157 -0.875 1.00 0.00 C ATOM 227 CG2 VAL A 19 3.726 4.922 -0.210 1.00 0.00 C ATOM 0 H VAL A 19 4.721 5.503 2.300 1.00 0.00 H new ATOM 0 HA VAL A 19 5.201 7.358 0.042 1.00 0.00 H new ATOM 0 HB VAL A 19 2.606 6.236 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.903 6.634 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.451 8.129 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.514 7.297 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.845 4.444 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.509 4.984 -0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.083 4.333 0.635 1.00 0.00 H new ATOM 237 N VAL A 20 4.688 9.420 1.198 1.00 0.00 N ATOM 238 CA VAL A 20 4.415 10.685 1.858 1.00 0.00 C ATOM 239 C VAL A 20 3.413 11.485 1.024 1.00 0.00 C ATOM 240 O VAL A 20 3.769 12.044 -0.012 1.00 0.00 O ATOM 241 CB VAL A 20 5.723 11.439 2.106 1.00 0.00 C ATOM 242 CG1 VAL A 20 6.260 12.046 0.808 1.00 0.00 C ATOM 243 CG2 VAL A 20 5.542 12.514 3.179 1.00 0.00 C ATOM 0 H VAL A 20 5.266 9.492 0.361 1.00 0.00 H new ATOM 0 HA VAL A 20 3.963 10.516 2.835 1.00 0.00 H new ATOM 0 HB VAL A 20 6.458 10.722 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.190 12.576 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.446 11.252 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.527 12.743 0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.487 13.035 3.336 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.784 13.227 2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.226 12.047 4.112 1.00 0.00 H new ATOM 253 N LEU A 21 2.179 11.513 1.506 1.00 0.00 N ATOM 254 CA LEU A 21 1.123 12.234 0.817 1.00 0.00 C ATOM 255 C LEU A 21 0.747 13.476 1.628 1.00 0.00 C ATOM 256 O LEU A 21 0.544 13.394 2.839 1.00 0.00 O ATOM 257 CB LEU A 21 -0.060 11.307 0.529 1.00 0.00 C ATOM 258 CG LEU A 21 0.271 10.008 -0.209 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.920 9.048 -0.188 1.00 0.00 C ATOM 260 CD2 LEU A 21 0.752 10.294 -1.633 1.00 0.00 C ATOM 0 H LEU A 21 1.887 11.048 2.366 1.00 0.00 H new ATOM 0 HA LEU A 21 1.471 12.580 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.536 11.053 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.794 11.859 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 21 1.091 9.516 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.659 8.133 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.176 8.808 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.775 9.518 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.981 9.354 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.030 10.819 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.648 10.913 -1.597 1.00 0.00 H new ATOM 272 N THR A 22 0.665 14.598 0.928 1.00 0.00 N ATOM 273 CA THR A 22 0.317 15.856 1.568 1.00 0.00 C ATOM 274 C THR A 22 -1.166 16.168 1.360 1.00 0.00 C ATOM 275 O THR A 22 -1.589 16.469 0.245 1.00 0.00 O ATOM 276 CB THR A 22 1.249 16.938 1.021 1.00 0.00 C ATOM 277 OG1 THR A 22 2.523 16.302 0.960 1.00 0.00 O ATOM 278 CG2 THR A 22 1.454 18.089 2.008 1.00 0.00 C ATOM 0 H THR A 22 0.833 14.662 -0.076 1.00 0.00 H new ATOM 0 HA THR A 22 0.456 15.803 2.648 1.00 0.00 H new ATOM 0 HB THR A 22 0.842 17.328 0.088 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.188 16.933 0.614 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.124 18.829 1.570 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.493 18.554 2.229 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.891 17.705 2.929 1.00 0.00 H new ATOM 286 N ALA A 23 -1.914 16.085 2.450 1.00 0.00 N ATOM 287 CA ALA A 23 -3.341 16.354 2.400 1.00 0.00 C ATOM 288 C ALA A 23 -3.587 17.625 1.585 1.00 0.00 C ATOM 289 O ALA A 23 -3.434 18.734 2.095 1.00 0.00 O ATOM 290 CB ALA A 23 -3.891 16.460 3.824 1.00 0.00 C ATOM 0 H ALA A 23 -1.559 15.835 3.373 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.868 15.538 1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.961 16.662 3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.717 15.523 4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.387 17.271 4.349 1.00 0.00 H new ATOM 296 N ASP A 24 -3.965 17.422 0.331 1.00 0.00 N ATOM 297 CA ASP A 24 -4.234 18.538 -0.560 1.00 0.00 C ATOM 298 C ASP A 24 -5.325 19.420 0.050 1.00 0.00 C ATOM 299 O ASP A 24 -6.027 19.000 0.969 1.00 0.00 O ATOM 300 CB ASP A 24 -4.728 18.048 -1.922 1.00 0.00 C ATOM 301 CG ASP A 24 -3.935 18.568 -3.123 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.790 19.014 -2.896 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.492 18.508 -4.240 1.00 0.00 O ATOM 0 H ASP A 24 -4.091 16.501 -0.089 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.307 19.096 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.700 16.958 -1.931 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.771 18.341 -2.040 1.00 0.00 H new ATOM 308 N PRO A 25 -5.437 20.659 -0.500 1.00 0.00 N ATOM 309 CA PRO A 25 -6.431 21.604 -0.020 1.00 0.00 C ATOM 310 C PRO A 25 -7.830 21.223 -0.508 1.00 0.00 C ATOM 311 O PRO A 25 -8.798 21.936 -0.248 1.00 0.00 O ATOM 312 CB PRO A 25 -5.969 22.957 -0.537 1.00 0.00 C ATOM 313 CG PRO A 25 -4.999 22.662 -1.669 1.00 0.00 C ATOM 314 CD PRO A 25 -4.623 21.191 -1.589 1.00 0.00 C ATOM 0 HA PRO A 25 -6.512 21.614 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.813 23.549 -0.891 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.485 23.532 0.252 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.457 22.887 -2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.111 23.288 -1.584 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.832 20.677 -2.527 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.559 21.065 -1.387 1.00 0.00 H new ATOM 322 N VAL A 26 -7.892 20.100 -1.208 1.00 0.00 N ATOM 323 CA VAL A 26 -9.157 19.616 -1.735 1.00 0.00 C ATOM 324 C VAL A 26 -9.204 18.091 -1.615 1.00 0.00 C ATOM 325 O VAL A 26 -10.077 17.545 -0.943 1.00 0.00 O ATOM 326 CB VAL A 26 -9.349 20.109 -3.171 1.00 0.00 C ATOM 327 CG1 VAL A 26 -9.727 21.591 -3.195 1.00 0.00 C ATOM 328 CG2 VAL A 26 -8.098 19.848 -4.012 1.00 0.00 C ATOM 0 H VAL A 26 -7.087 19.511 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.990 20.014 -1.155 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.172 19.546 -3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.858 21.917 -4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.658 21.738 -2.648 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.935 22.176 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.261 20.208 -5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.249 20.372 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.892 18.778 -4.035 1.00 0.00 H new ATOM 338 N THR A 27 -8.254 17.448 -2.278 1.00 0.00 N ATOM 339 CA THR A 27 -8.177 15.997 -2.254 1.00 0.00 C ATOM 340 C THR A 27 -7.049 15.538 -1.327 1.00 0.00 C ATOM 341 O THR A 27 -6.037 15.014 -1.788 1.00 0.00 O ATOM 342 CB THR A 27 -8.015 15.508 -3.695 1.00 0.00 C ATOM 343 OG1 THR A 27 -7.038 16.384 -4.251 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.265 15.759 -4.542 1.00 0.00 C ATOM 0 H THR A 27 -7.532 17.905 -2.835 1.00 0.00 H new ATOM 0 HA THR A 27 -9.089 15.560 -1.847 1.00 0.00 H new ATOM 0 HB THR A 27 -7.785 14.443 -3.693 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.871 16.137 -5.184 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.097 15.394 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.113 15.234 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.476 16.828 -4.572 1.00 0.00 H new ATOM 352 N GLY A 28 -7.263 15.753 -0.037 1.00 0.00 N ATOM 353 CA GLY A 28 -6.277 15.368 0.959 1.00 0.00 C ATOM 354 C GLY A 28 -5.373 14.251 0.433 1.00 0.00 C ATOM 355 O GLY A 28 -4.331 14.520 -0.163 1.00 0.00 O ATOM 0 H GLY A 28 -8.104 16.189 0.341 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.672 16.233 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.782 15.035 1.866 1.00 0.00 H new ATOM 359 N PHE A 29 -5.805 13.022 0.672 1.00 0.00 N ATOM 360 CA PHE A 29 -5.048 11.863 0.229 1.00 0.00 C ATOM 361 C PHE A 29 -5.809 11.089 -0.848 1.00 0.00 C ATOM 362 O PHE A 29 -5.202 10.439 -1.697 1.00 0.00 O ATOM 363 CB PHE A 29 -4.858 10.961 1.450 1.00 0.00 C ATOM 364 CG PHE A 29 -4.338 11.692 2.690 1.00 0.00 C ATOM 365 CD1 PHE A 29 -3.161 12.371 2.635 1.00 0.00 C ATOM 366 CD2 PHE A 29 -5.053 11.663 3.846 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.679 13.049 3.786 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.571 12.341 4.996 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.394 13.020 4.942 1.00 0.00 C ATOM 0 H PHE A 29 -6.670 12.803 1.167 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.096 12.181 -0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.810 10.489 1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.162 10.162 1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.593 12.395 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.988 11.124 3.889 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.744 13.588 3.743 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.139 12.318 5.914 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.027 13.536 5.817 1.00 0.00 H new ATOM 379 N GLY A 30 -7.129 11.185 -0.779 1.00 0.00 N ATOM 380 CA GLY A 30 -7.980 10.502 -1.739 1.00 0.00 C ATOM 381 C GLY A 30 -7.508 9.064 -1.964 1.00 0.00 C ATOM 382 O GLY A 30 -7.081 8.712 -3.063 1.00 0.00 O ATOM 0 H GLY A 30 -7.630 11.725 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.009 10.499 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.974 11.043 -2.685 1.00 0.00 H new ATOM 386 N ILE A 31 -7.600 8.272 -0.906 1.00 0.00 N ATOM 387 CA ILE A 31 -7.188 6.880 -0.975 1.00 0.00 C ATOM 388 C ILE A 31 -8.338 5.988 -0.504 1.00 0.00 C ATOM 389 O ILE A 31 -9.064 6.342 0.424 1.00 0.00 O ATOM 390 CB ILE A 31 -5.887 6.668 -0.198 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.845 7.722 -0.575 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.359 5.245 -0.391 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.526 7.478 0.161 1.00 0.00 C ATOM 0 H ILE A 31 -7.954 8.568 0.004 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.967 6.598 -2.005 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.099 6.791 0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.674 7.701 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.223 8.715 -0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.434 5.121 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.100 4.530 -0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.166 5.069 -1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.803 8.242 -0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.696 7.524 1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.138 6.494 -0.103 1.00 0.00 H new ATOM 405 N GLN A 32 -8.470 4.848 -1.166 1.00 0.00 N ATOM 406 CA GLN A 32 -9.519 3.902 -0.827 1.00 0.00 C ATOM 407 C GLN A 32 -8.917 2.533 -0.504 1.00 0.00 C ATOM 408 O GLN A 32 -7.974 2.096 -1.161 1.00 0.00 O ATOM 409 CB GLN A 32 -10.548 3.797 -1.955 1.00 0.00 C ATOM 410 CG GLN A 32 -11.707 4.771 -1.733 1.00 0.00 C ATOM 411 CD GLN A 32 -12.632 4.277 -0.619 1.00 0.00 C ATOM 412 OE1 GLN A 32 -12.200 3.846 0.437 1.00 0.00 O ATOM 413 NE2 GLN A 32 -13.926 4.364 -0.913 1.00 0.00 N ATOM 0 H GLN A 32 -7.867 4.558 -1.936 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.037 4.267 0.060 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.068 4.009 -2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.930 2.778 -2.009 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.316 5.755 -1.476 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.273 4.885 -2.657 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.220 4.735 -1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.625 4.060 -0.235 1.00 0.00 H new ATOM 422 N LEU A 33 -9.486 1.895 0.508 1.00 0.00 N ATOM 423 CA LEU A 33 -9.017 0.585 0.926 1.00 0.00 C ATOM 424 C LEU A 33 -10.140 -0.437 0.739 1.00 0.00 C ATOM 425 O LEU A 33 -11.312 -0.071 0.666 1.00 0.00 O ATOM 426 CB LEU A 33 -8.469 0.642 2.353 1.00 0.00 C ATOM 427 CG LEU A 33 -7.569 1.836 2.678 1.00 0.00 C ATOM 428 CD1 LEU A 33 -7.902 2.414 4.055 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.091 1.458 2.557 1.00 0.00 C ATOM 0 H LEU A 33 -10.268 2.261 1.051 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.184 0.262 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.311 0.648 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.908 -0.273 2.542 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.762 2.619 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.248 3.261 4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.940 2.745 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.755 1.648 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.473 2.324 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.864 0.650 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.882 1.130 1.539 1.00 0.00 H new ATOM 441 N GLN A 34 -9.742 -1.699 0.666 1.00 0.00 N ATOM 442 CA GLN A 34 -10.700 -2.777 0.489 1.00 0.00 C ATOM 443 C GLN A 34 -10.720 -3.678 1.725 1.00 0.00 C ATOM 444 O GLN A 34 -9.668 -4.059 2.237 1.00 0.00 O ATOM 445 CB GLN A 34 -10.389 -3.584 -0.773 1.00 0.00 C ATOM 446 CG GLN A 34 -9.003 -4.226 -0.687 1.00 0.00 C ATOM 447 CD GLN A 34 -9.081 -5.734 -0.934 1.00 0.00 C ATOM 448 OE1 GLN A 34 -9.047 -6.542 -0.020 1.00 0.00 O ATOM 449 NE2 GLN A 34 -9.187 -6.067 -2.217 1.00 0.00 N ATOM 0 H GLN A 34 -8.769 -1.999 0.726 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.691 -2.340 0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.144 -4.358 -0.909 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.439 -2.933 -1.646 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.340 -3.768 -1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.571 -4.037 0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.210 -5.340 -2.932 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.245 -7.049 -2.486 1.00 0.00 H new ATOM 620 N PRO A 47 -5.174 -4.654 3.943 1.00 0.00 N ATOM 621 CA PRO A 47 -5.847 -3.516 3.340 1.00 0.00 C ATOM 622 C PRO A 47 -5.147 -3.083 2.051 1.00 0.00 C ATOM 623 O PRO A 47 -4.075 -2.482 2.094 1.00 0.00 O ATOM 624 CB PRO A 47 -5.835 -2.439 4.413 1.00 0.00 C ATOM 625 CG PRO A 47 -4.755 -2.847 5.401 1.00 0.00 C ATOM 626 CD PRO A 47 -4.387 -4.294 5.119 1.00 0.00 C ATOM 0 HA PRO A 47 -6.868 -3.745 3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.621 -1.461 3.982 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.806 -2.366 4.904 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -3.881 -2.204 5.298 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.113 -2.737 6.425 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.319 -4.401 4.929 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.626 -4.936 5.967 1.00 0.00 H new ATOM 634 N LEU A 48 -5.781 -3.406 0.933 1.00 0.00 N ATOM 635 CA LEU A 48 -5.232 -3.059 -0.366 1.00 0.00 C ATOM 636 C LEU A 48 -5.897 -1.776 -0.869 1.00 0.00 C ATOM 637 O LEU A 48 -7.064 -1.521 -0.576 1.00 0.00 O ATOM 638 CB LEU A 48 -5.358 -4.237 -1.334 1.00 0.00 C ATOM 639 CG LEU A 48 -5.045 -5.618 -0.753 1.00 0.00 C ATOM 640 CD1 LEU A 48 -5.886 -6.701 -1.431 1.00 0.00 C ATOM 641 CD2 LEU A 48 -3.548 -5.920 -0.835 1.00 0.00 C ATOM 0 H LEU A 48 -6.670 -3.905 0.901 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.164 -2.856 -0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.375 -4.252 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.692 -4.060 -2.179 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.316 -5.614 0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.644 -7.672 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.944 -6.489 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.670 -6.714 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.352 -6.907 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.229 -5.899 -1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.994 -5.170 -0.271 1.00 0.00 H new ATOM 653 N ILE A 49 -5.126 -1.002 -1.619 1.00 0.00 N ATOM 654 CA ILE A 49 -5.625 0.248 -2.166 1.00 0.00 C ATOM 655 C ILE A 49 -6.757 -0.049 -3.152 1.00 0.00 C ATOM 656 O ILE A 49 -6.505 -0.404 -4.303 1.00 0.00 O ATOM 657 CB ILE A 49 -4.481 1.064 -2.770 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.585 1.646 -1.675 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.016 2.147 -3.709 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.521 2.570 -2.270 1.00 0.00 C ATOM 0 H ILE A 49 -4.159 -1.217 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.045 0.870 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.864 0.395 -3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.193 2.199 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.103 0.837 -1.126 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.182 2.712 -4.125 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.578 1.681 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.669 2.820 -3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.898 2.970 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.900 2.008 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.006 3.391 -2.797 1.00 0.00 H new ATOM 672 N SER A 50 -7.979 0.109 -2.666 1.00 0.00 N ATOM 673 CA SER A 50 -9.150 -0.137 -3.491 1.00 0.00 C ATOM 674 C SER A 50 -9.144 0.799 -4.701 1.00 0.00 C ATOM 675 O SER A 50 -9.192 0.344 -5.843 1.00 0.00 O ATOM 676 CB SER A 50 -10.438 0.045 -2.686 1.00 0.00 C ATOM 677 OG SER A 50 -11.564 0.279 -3.527 1.00 0.00 O ATOM 0 H SER A 50 -8.184 0.404 -1.711 1.00 0.00 H new ATOM 0 HA SER A 50 -9.113 -1.169 -3.838 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.616 -0.844 -2.081 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.320 0.881 -1.997 1.00 0.00 H new ATOM 0 HG SER A 50 -12.367 0.388 -2.976 1.00 0.00 H new ATOM 683 N TYR A 51 -9.084 2.090 -4.410 1.00 0.00 N ATOM 684 CA TYR A 51 -9.071 3.094 -5.460 1.00 0.00 C ATOM 685 C TYR A 51 -8.219 4.300 -5.056 1.00 0.00 C ATOM 686 O TYR A 51 -8.039 4.567 -3.868 1.00 0.00 O ATOM 687 CB TYR A 51 -10.523 3.545 -5.631 1.00 0.00 C ATOM 688 CG TYR A 51 -10.696 4.747 -6.562 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.708 4.564 -7.929 1.00 0.00 C ATOM 690 CD2 TYR A 51 -10.840 6.014 -6.033 1.00 0.00 C ATOM 691 CE1 TYR A 51 -10.871 5.696 -8.805 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.003 7.145 -6.909 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.010 6.930 -8.252 1.00 0.00 C ATOM 694 OH TYR A 51 -11.164 7.999 -9.079 1.00 0.00 O ATOM 0 H TYR A 51 -9.044 2.464 -3.462 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.650 2.683 -6.378 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.108 2.711 -6.018 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.933 3.795 -4.652 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.595 3.573 -8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.830 6.157 -4.963 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.883 5.567 -9.877 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.117 8.142 -6.509 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.253 8.816 -8.545 1.00 0.00 H new ATOM 704 N ILE A 52 -7.718 4.995 -6.066 1.00 0.00 N ATOM 705 CA ILE A 52 -6.891 6.166 -5.830 1.00 0.00 C ATOM 706 C ILE A 52 -7.460 7.353 -6.609 1.00 0.00 C ATOM 707 O ILE A 52 -7.410 7.376 -7.838 1.00 0.00 O ATOM 708 CB ILE A 52 -5.427 5.862 -6.157 1.00 0.00 C ATOM 709 CG1 ILE A 52 -4.936 4.636 -5.384 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.544 7.087 -5.910 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.791 3.943 -6.126 1.00 0.00 C ATOM 0 H ILE A 52 -7.869 4.770 -7.049 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.909 6.438 -4.775 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.356 5.623 -7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.601 4.937 -4.391 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.760 3.936 -5.244 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.509 6.844 -6.150 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.879 7.910 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.614 7.381 -4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.460 3.075 -5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.136 3.621 -7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.960 4.638 -6.243 1.00 0.00 H new ATOM 723 N GLU A 53 -7.989 8.311 -5.862 1.00 0.00 N ATOM 724 CA GLU A 53 -8.568 9.499 -6.467 1.00 0.00 C ATOM 725 C GLU A 53 -7.593 10.109 -7.477 1.00 0.00 C ATOM 726 O GLU A 53 -6.381 9.940 -7.355 1.00 0.00 O ATOM 727 CB GLU A 53 -8.962 10.521 -5.399 1.00 0.00 C ATOM 728 CG GLU A 53 -10.479 10.549 -5.200 1.00 0.00 C ATOM 729 CD GLU A 53 -10.952 9.321 -4.420 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.075 8.508 -4.055 1.00 0.00 O ATOM 731 OE2 GLU A 53 -12.179 9.223 -4.206 1.00 0.00 O ATOM 0 H GLU A 53 -8.029 8.289 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.475 9.208 -6.997 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.473 10.275 -4.457 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.612 11.511 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.763 11.455 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.976 10.582 -6.169 1.00 0.00 H new ATOM 738 N ALA A 54 -8.160 10.805 -8.451 1.00 0.00 N ATOM 739 CA ALA A 54 -7.356 11.441 -9.481 1.00 0.00 C ATOM 740 C ALA A 54 -7.054 12.883 -9.069 1.00 0.00 C ATOM 741 O ALA A 54 -7.771 13.463 -8.255 1.00 0.00 O ATOM 742 CB ALA A 54 -8.088 11.359 -10.822 1.00 0.00 C ATOM 0 H ALA A 54 -9.166 10.943 -8.549 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.403 10.925 -9.597 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.486 11.836 -11.595 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.253 10.314 -11.083 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.048 11.869 -10.744 1.00 0.00 H new ATOM 748 N ASP A 55 -5.991 13.420 -9.649 1.00 0.00 N ATOM 749 CA ASP A 55 -5.585 14.783 -9.352 1.00 0.00 C ATOM 750 C ASP A 55 -5.249 14.898 -7.864 1.00 0.00 C ATOM 751 O ASP A 55 -5.151 16.001 -7.329 1.00 0.00 O ATOM 752 CB ASP A 55 -6.710 15.773 -9.660 1.00 0.00 C ATOM 753 CG ASP A 55 -6.264 17.069 -10.340 1.00 0.00 C ATOM 754 OD1 ASP A 55 -5.160 17.051 -10.927 1.00 0.00 O ATOM 755 OD2 ASP A 55 -7.037 18.048 -10.258 1.00 0.00 O ATOM 0 H ASP A 55 -5.398 12.936 -10.323 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.718 15.018 -9.970 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.443 15.279 -10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.217 16.025 -8.728 1.00 0.00 H new ATOM 760 N SER A 56 -5.082 13.743 -7.237 1.00 0.00 N ATOM 761 CA SER A 56 -4.759 13.699 -5.821 1.00 0.00 C ATOM 762 C SER A 56 -3.260 13.455 -5.633 1.00 0.00 C ATOM 763 O SER A 56 -2.552 13.154 -6.592 1.00 0.00 O ATOM 764 CB SER A 56 -5.568 12.616 -5.104 1.00 0.00 C ATOM 765 OG SER A 56 -4.795 11.442 -4.868 1.00 0.00 O ATOM 0 H SER A 56 -5.164 12.830 -7.684 1.00 0.00 H new ATOM 0 HA SER A 56 -5.022 14.661 -5.381 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.935 13.006 -4.154 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.442 12.360 -5.702 1.00 0.00 H new ATOM 0 HG SER A 56 -5.346 10.775 -4.408 1.00 0.00 H new ATOM 771 N PRO A 57 -2.810 13.597 -4.358 1.00 0.00 N ATOM 772 CA PRO A 57 -1.409 13.395 -4.032 1.00 0.00 C ATOM 773 C PRO A 57 -1.056 11.906 -4.027 1.00 0.00 C ATOM 774 O PRO A 57 0.090 11.535 -4.274 1.00 0.00 O ATOM 775 CB PRO A 57 -1.221 14.054 -2.675 1.00 0.00 C ATOM 776 CG PRO A 57 -2.614 14.191 -2.082 1.00 0.00 C ATOM 777 CD PRO A 57 -3.620 13.953 -3.196 1.00 0.00 C ATOM 0 HA PRO A 57 -0.738 13.835 -4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.581 13.450 -2.033 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.742 15.028 -2.777 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.759 13.471 -1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.749 15.183 -1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.315 13.154 -2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.217 14.845 -3.388 1.00 0.00 H new ATOM 785 N ALA A 58 -2.063 11.093 -3.743 1.00 0.00 N ATOM 786 CA ALA A 58 -1.874 9.653 -3.703 1.00 0.00 C ATOM 787 C ALA A 58 -1.624 9.136 -5.121 1.00 0.00 C ATOM 788 O ALA A 58 -0.987 8.100 -5.305 1.00 0.00 O ATOM 789 CB ALA A 58 -3.091 8.996 -3.048 1.00 0.00 C ATOM 0 H ALA A 58 -3.013 11.404 -3.538 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.002 9.397 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.949 7.916 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.207 9.375 -2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.985 9.229 -3.626 1.00 0.00 H new ATOM 795 N GLU A 59 -2.141 9.881 -6.088 1.00 0.00 N ATOM 796 CA GLU A 59 -1.982 9.511 -7.484 1.00 0.00 C ATOM 797 C GLU A 59 -0.801 10.262 -8.101 1.00 0.00 C ATOM 798 O GLU A 59 -0.028 9.689 -8.868 1.00 0.00 O ATOM 799 CB GLU A 59 -3.269 9.771 -8.270 1.00 0.00 C ATOM 800 CG GLU A 59 -3.283 8.977 -9.577 1.00 0.00 C ATOM 801 CD GLU A 59 -3.663 7.516 -9.327 1.00 0.00 C ATOM 802 OE1 GLU A 59 -4.817 7.295 -8.900 1.00 0.00 O ATOM 803 OE2 GLU A 59 -2.791 6.653 -9.568 1.00 0.00 O ATOM 0 H GLU A 59 -2.670 10.739 -5.932 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.774 8.442 -7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.132 9.495 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.359 10.836 -8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.992 9.427 -10.272 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.301 9.026 -10.047 1.00 0.00 H new ATOM 810 N ARG A 60 -0.698 11.534 -7.744 1.00 0.00 N ATOM 811 CA ARG A 60 0.376 12.370 -8.254 1.00 0.00 C ATOM 812 C ARG A 60 1.702 11.606 -8.225 1.00 0.00 C ATOM 813 O ARG A 60 2.441 11.602 -9.208 1.00 0.00 O ATOM 814 CB ARG A 60 0.515 13.651 -7.429 1.00 0.00 C ATOM 815 CG ARG A 60 -0.376 14.762 -7.988 1.00 0.00 C ATOM 816 CD ARG A 60 0.331 16.117 -7.923 1.00 0.00 C ATOM 817 NE ARG A 60 -0.470 17.067 -7.118 1.00 0.00 N ATOM 818 CZ ARG A 60 -0.218 18.381 -7.036 1.00 0.00 C ATOM 819 NH1 ARG A 60 0.815 18.908 -7.708 1.00 0.00 N ATOM 820 NH2 ARG A 60 -0.998 19.167 -6.282 1.00 0.00 N ATOM 0 H ARG A 60 -1.341 12.006 -7.108 1.00 0.00 H new ATOM 0 HA ARG A 60 0.129 12.638 -9.281 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.246 13.451 -6.392 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.555 13.978 -7.431 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.641 14.535 -9.021 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.307 14.806 -7.422 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.321 15.999 -7.483 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.474 16.511 -8.929 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.263 16.699 -6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.409 18.309 -8.282 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.007 19.908 -7.646 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.784 18.766 -5.770 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.806 20.167 -6.220 1.00 0.00 H new ATOM 834 N CYS A 61 1.962 10.979 -7.087 1.00 0.00 N ATOM 835 CA CYS A 61 3.186 10.215 -6.917 1.00 0.00 C ATOM 836 C CYS A 61 3.178 9.065 -7.927 1.00 0.00 C ATOM 837 O CYS A 61 4.205 8.756 -8.529 1.00 0.00 O ATOM 838 CB CYS A 61 3.344 9.712 -5.481 1.00 0.00 C ATOM 839 SG CYS A 61 3.406 11.129 -4.325 1.00 0.00 S ATOM 0 H CYS A 61 1.346 10.985 -6.274 1.00 0.00 H new ATOM 0 HA CYS A 61 4.047 10.856 -7.104 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.512 9.057 -5.223 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.255 9.120 -5.392 1.00 0.00 H new ATOM 0 HG CYS A 61 2.197 11.536 -4.072 1.00 0.00 H new ATOM 845 N GLY A 62 2.008 8.463 -8.080 1.00 0.00 N ATOM 846 CA GLY A 62 1.853 7.354 -9.007 1.00 0.00 C ATOM 847 C GLY A 62 2.566 6.103 -8.489 1.00 0.00 C ATOM 848 O GLY A 62 2.623 5.087 -9.179 1.00 0.00 O ATOM 0 H GLY A 62 1.159 8.722 -7.578 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.794 7.140 -9.150 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.257 7.630 -9.981 1.00 0.00 H new ATOM 852 N VAL A 63 3.091 6.219 -7.278 1.00 0.00 N ATOM 853 CA VAL A 63 3.798 5.110 -6.660 1.00 0.00 C ATOM 854 C VAL A 63 2.790 4.191 -5.968 1.00 0.00 C ATOM 855 O VAL A 63 3.129 3.075 -5.576 1.00 0.00 O ATOM 856 CB VAL A 63 4.874 5.640 -5.710 1.00 0.00 C ATOM 857 CG1 VAL A 63 5.719 6.721 -6.387 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.252 6.161 -4.413 1.00 0.00 C ATOM 0 H VAL A 63 3.041 7.064 -6.708 1.00 0.00 H new ATOM 0 HA VAL A 63 4.314 4.517 -7.415 1.00 0.00 H new ATOM 0 HB VAL A 63 5.534 4.811 -5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.476 7.081 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.206 6.303 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.078 7.550 -6.686 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.038 6.532 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.558 6.970 -4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.715 5.353 -3.916 1.00 0.00 H new ATOM 868 N LEU A 64 1.571 4.693 -5.839 1.00 0.00 N ATOM 869 CA LEU A 64 0.511 3.930 -5.201 1.00 0.00 C ATOM 870 C LEU A 64 -0.355 3.272 -6.276 1.00 0.00 C ATOM 871 O LEU A 64 -1.164 3.937 -6.921 1.00 0.00 O ATOM 872 CB LEU A 64 -0.277 4.815 -4.233 1.00 0.00 C ATOM 873 CG LEU A 64 0.486 5.307 -3.001 1.00 0.00 C ATOM 874 CD1 LEU A 64 0.058 6.726 -2.621 1.00 0.00 C ATOM 875 CD2 LEU A 64 0.332 4.330 -1.834 1.00 0.00 C ATOM 0 H LEU A 64 1.293 5.619 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 64 0.931 3.128 -4.594 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.641 5.684 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.153 4.260 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 64 1.546 5.347 -3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.615 7.051 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.262 7.402 -3.451 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.009 6.737 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.884 4.704 -0.971 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.723 4.234 -1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.725 3.355 -2.122 1.00 0.00 H new ATOM 887 N GLN A 65 -0.157 1.971 -6.436 1.00 0.00 N ATOM 888 CA GLN A 65 -0.910 1.215 -7.421 1.00 0.00 C ATOM 889 C GLN A 65 -2.233 0.732 -6.823 1.00 0.00 C ATOM 890 O GLN A 65 -2.374 0.652 -5.603 1.00 0.00 O ATOM 891 CB GLN A 65 -0.089 0.040 -7.956 1.00 0.00 C ATOM 892 CG GLN A 65 -0.735 -0.556 -9.208 1.00 0.00 C ATOM 893 CD GLN A 65 0.329 -1.040 -10.196 1.00 0.00 C ATOM 894 OE1 GLN A 65 1.187 -1.847 -9.878 1.00 0.00 O ATOM 895 NE2 GLN A 65 0.225 -0.503 -11.409 1.00 0.00 N ATOM 0 H GLN A 65 0.515 1.422 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.132 1.873 -8.261 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.922 0.374 -8.188 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.002 -0.728 -7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.381 -1.388 -8.927 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.368 0.192 -9.686 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.518 0.167 -11.608 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.888 -0.762 -12.140 1.00 0.00 H new ATOM 904 N ILE A 66 -3.169 0.423 -7.708 1.00 0.00 N ATOM 905 CA ILE A 66 -4.475 -0.050 -7.283 1.00 0.00 C ATOM 906 C ILE A 66 -4.355 -1.493 -6.791 1.00 0.00 C ATOM 907 O ILE A 66 -4.053 -2.396 -7.570 1.00 0.00 O ATOM 908 CB ILE A 66 -5.503 0.135 -8.401 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.740 1.619 -8.688 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.804 -0.601 -8.077 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.796 2.198 -7.745 1.00 0.00 C ATOM 0 H ILE A 66 -3.049 0.491 -8.719 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.840 0.544 -6.445 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.101 -0.309 -9.312 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.806 2.169 -8.575 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.061 1.746 -9.722 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.517 -0.453 -8.888 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.601 -1.666 -7.962 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.222 -0.209 -7.150 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.945 3.254 -7.970 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.736 1.662 -7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.460 2.091 -6.713 1.00 0.00 H new ATOM 923 N GLY A 67 -4.597 -1.667 -5.500 1.00 0.00 N ATOM 924 CA GLY A 67 -4.519 -2.986 -4.894 1.00 0.00 C ATOM 925 C GLY A 67 -3.121 -3.250 -4.332 1.00 0.00 C ATOM 926 O GLY A 67 -2.629 -4.376 -4.386 1.00 0.00 O ATOM 0 H GLY A 67 -4.847 -0.916 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.257 -3.068 -4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.766 -3.746 -5.635 1.00 0.00 H new ATOM 930 N ASP A 68 -2.520 -2.193 -3.806 1.00 0.00 N ATOM 931 CA ASP A 68 -1.188 -2.296 -3.234 1.00 0.00 C ATOM 932 C ASP A 68 -1.231 -3.221 -2.016 1.00 0.00 C ATOM 933 O ASP A 68 -2.274 -3.794 -1.704 1.00 0.00 O ATOM 934 CB ASP A 68 -0.680 -0.929 -2.773 1.00 0.00 C ATOM 935 CG ASP A 68 -0.482 0.098 -3.889 1.00 0.00 C ATOM 936 OD1 ASP A 68 -0.268 -0.346 -5.038 1.00 0.00 O ATOM 937 OD2 ASP A 68 -0.550 1.304 -3.569 1.00 0.00 O ATOM 0 H ASP A 68 -2.931 -1.260 -3.764 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.520 -2.688 -4.001 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.384 -0.523 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.269 -1.067 -2.254 1.00 0.00 H new ATOM 942 N ARG A 69 -0.086 -3.337 -1.361 1.00 0.00 N ATOM 943 CA ARG A 69 0.021 -4.182 -0.184 1.00 0.00 C ATOM 944 C ARG A 69 0.596 -3.387 0.990 1.00 0.00 C ATOM 945 O ARG A 69 1.795 -3.452 1.260 1.00 0.00 O ATOM 946 CB ARG A 69 0.913 -5.395 -0.456 1.00 0.00 C ATOM 947 CG ARG A 69 2.046 -5.038 -1.421 1.00 0.00 C ATOM 948 CD ARG A 69 1.544 -5.001 -2.865 1.00 0.00 C ATOM 949 NE ARG A 69 2.589 -5.516 -3.778 1.00 0.00 N ATOM 950 CZ ARG A 69 3.603 -4.779 -4.251 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.714 -3.490 -3.902 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.505 -5.330 -5.074 1.00 0.00 N ATOM 0 H ARG A 69 0.776 -2.860 -1.623 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.981 -4.531 0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.331 -5.761 0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.315 -6.204 -0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.465 -4.068 -1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.850 -5.769 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.639 -5.601 -2.959 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.280 -3.980 -3.141 1.00 0.00 H new ATOM 0 HE ARG A 69 2.534 -6.493 -4.065 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.027 -3.070 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.486 -2.929 -4.262 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.420 -6.311 -5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.277 -4.769 -5.434 1.00 0.00 H new ATOM 966 N VAL A 70 -0.285 -2.656 1.656 1.00 0.00 N ATOM 967 CA VAL A 70 0.120 -1.849 2.795 1.00 0.00 C ATOM 968 C VAL A 70 0.405 -2.765 3.987 1.00 0.00 C ATOM 969 O VAL A 70 -0.488 -3.459 4.468 1.00 0.00 O ATOM 970 CB VAL A 70 -0.945 -0.793 3.093 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.190 -1.430 3.714 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.386 0.310 3.994 1.00 0.00 C ATOM 0 H VAL A 70 -1.278 -2.605 1.429 1.00 0.00 H new ATOM 0 HA VAL A 70 1.040 -1.309 2.573 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.238 -0.337 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.932 -0.657 3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.608 -2.162 3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.919 -1.925 4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.164 1.048 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.051 -0.124 4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.456 0.793 3.498 1.00 0.00 H new ATOM 982 N MET A 71 1.654 -2.736 4.429 1.00 0.00 N ATOM 983 CA MET A 71 2.068 -3.554 5.556 1.00 0.00 C ATOM 984 C MET A 71 1.867 -2.810 6.878 1.00 0.00 C ATOM 985 O MET A 71 1.951 -3.407 7.950 1.00 0.00 O ATOM 986 CB MET A 71 3.543 -3.929 5.401 1.00 0.00 C ATOM 987 CG MET A 71 3.853 -4.351 3.963 1.00 0.00 C ATOM 988 SD MET A 71 3.099 -5.931 3.614 1.00 0.00 S ATOM 989 CE MET A 71 4.150 -6.997 4.587 1.00 0.00 C ATOM 0 H MET A 71 2.393 -2.159 4.027 1.00 0.00 H new ATOM 0 HA MET A 71 1.454 -4.455 5.571 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.169 -3.080 5.678 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.789 -4.742 6.084 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.481 -3.600 3.267 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.932 -4.414 3.818 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.147 -8.000 4.160 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.167 -6.605 4.585 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.779 -7.038 5.611 1.00 0.00 H new ATOM 999 N ALA A 72 1.604 -1.517 6.758 1.00 0.00 N ATOM 1000 CA ALA A 72 1.391 -0.685 7.930 1.00 0.00 C ATOM 1001 C ALA A 72 1.011 0.728 7.484 1.00 0.00 C ATOM 1002 O ALA A 72 1.247 1.106 6.337 1.00 0.00 O ATOM 1003 CB ALA A 72 2.646 -0.702 8.804 1.00 0.00 C ATOM 0 H ALA A 72 1.534 -1.025 5.867 1.00 0.00 H new ATOM 0 HA ALA A 72 0.570 -1.074 8.532 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.486 -0.078 9.683 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.857 -1.724 9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.491 -0.316 8.234 1.00 0.00 H new ATOM 1009 N ILE A 73 0.427 1.471 8.413 1.00 0.00 N ATOM 1010 CA ILE A 73 0.012 2.834 8.130 1.00 0.00 C ATOM 1011 C ILE A 73 0.560 3.765 9.214 1.00 0.00 C ATOM 1012 O ILE A 73 -0.008 3.860 10.301 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.507 2.909 7.966 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -1.981 2.009 6.823 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -1.969 4.356 7.786 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.479 2.188 6.568 1.00 0.00 C ATOM 0 H ILE A 73 0.231 1.154 9.363 1.00 0.00 H new ATOM 0 HA ILE A 73 0.429 3.169 7.180 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.967 2.536 8.881 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.424 2.243 5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.772 0.967 7.065 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.053 4.380 7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.683 4.941 8.660 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.501 4.780 6.897 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.789 1.537 5.751 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.035 1.929 7.469 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.681 3.225 6.302 1.00 0.00 H new ATOM 1028 N ASN A 74 1.658 4.428 8.880 1.00 0.00 N ATOM 1029 CA ASN A 74 2.289 5.348 9.811 1.00 0.00 C ATOM 1030 C ASN A 74 2.887 4.557 10.976 1.00 0.00 C ATOM 1031 O ASN A 74 3.034 5.084 12.078 1.00 0.00 O ATOM 1032 CB ASN A 74 1.271 6.337 10.383 1.00 0.00 C ATOM 1033 CG ASN A 74 1.607 7.771 9.968 1.00 0.00 C ATOM 1034 OD1 ASN A 74 0.730 8.309 9.124 1.00 0.00 O flip ATOM 1035 ND2 ASN A 74 2.595 8.350 10.386 1.00 0.00 N flip ATOM 0 H ASN A 74 2.126 4.346 7.978 1.00 0.00 H new ATOM 0 HA ASN A 74 3.061 5.897 9.272 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.271 6.078 10.034 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.258 6.263 11.470 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.227 7.878 11.032 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.789 9.306 10.089 1.00 0.00 H new ATOM 1042 N GLY A 75 3.215 3.305 10.693 1.00 0.00 N ATOM 1043 CA GLY A 75 3.794 2.437 11.704 1.00 0.00 C ATOM 1044 C GLY A 75 2.754 1.450 12.239 1.00 0.00 C ATOM 1045 O GLY A 75 3.107 0.400 12.774 1.00 0.00 O ATOM 0 H GLY A 75 3.091 2.871 9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.636 1.890 11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.186 3.039 12.524 1.00 0.00 H new ATOM 1049 N ILE A 76 1.493 1.823 12.077 1.00 0.00 N ATOM 1050 CA ILE A 76 0.400 0.984 12.538 1.00 0.00 C ATOM 1051 C ILE A 76 0.447 -0.357 11.803 1.00 0.00 C ATOM 1052 O ILE A 76 0.463 -0.396 10.573 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.936 1.717 12.393 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -1.054 2.847 13.418 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -2.110 0.740 12.480 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -1.221 2.289 14.833 1.00 0.00 C ATOM 0 H ILE A 76 1.204 2.695 11.633 1.00 0.00 H new ATOM 0 HA ILE A 76 0.507 0.770 13.601 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.970 2.173 11.404 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.165 3.477 13.374 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.906 3.480 13.170 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.047 1.287 12.374 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.029 0.001 11.682 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.092 0.235 13.446 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.302 3.113 15.542 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.124 1.680 14.880 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.356 1.676 15.087 1.00 0.00 H new ATOM 1068 N PRO A 77 0.469 -1.453 12.608 1.00 0.00 N ATOM 1069 CA PRO A 77 0.515 -2.793 12.047 1.00 0.00 C ATOM 1070 C PRO A 77 -0.847 -3.196 11.478 1.00 0.00 C ATOM 1071 O PRO A 77 -1.717 -3.664 12.211 1.00 0.00 O ATOM 1072 CB PRO A 77 0.966 -3.684 13.193 1.00 0.00 C ATOM 1073 CG PRO A 77 0.709 -2.891 14.464 1.00 0.00 C ATOM 1074 CD PRO A 77 0.451 -1.446 14.068 1.00 0.00 C ATOM 0 HA PRO A 77 1.201 -2.873 11.204 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.412 -4.622 13.199 1.00 0.00 H new ATOM 0 HB3 PRO A 77 2.022 -3.938 13.098 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.147 -3.298 15.001 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.566 -2.956 15.134 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.508 -1.096 14.451 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.216 -0.782 14.470 1.00 0.00 H new ATOM 1082 N THR A 78 -0.990 -2.998 10.175 1.00 0.00 N ATOM 1083 CA THR A 78 -2.231 -3.335 9.499 1.00 0.00 C ATOM 1084 C THR A 78 -2.521 -4.832 9.629 1.00 0.00 C ATOM 1085 O THR A 78 -2.185 -5.612 8.740 1.00 0.00 O ATOM 1086 CB THR A 78 -2.123 -2.861 8.049 1.00 0.00 C ATOM 1087 OG1 THR A 78 -0.768 -3.124 7.697 1.00 0.00 O ATOM 1088 CG2 THR A 78 -2.254 -1.342 7.918 1.00 0.00 C ATOM 0 H THR A 78 -0.267 -2.609 9.570 1.00 0.00 H new ATOM 0 HA THR A 78 -3.081 -2.831 9.959 1.00 0.00 H new ATOM 0 HB THR A 78 -2.895 -3.345 7.451 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.729 -3.468 6.780 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.170 -1.059 6.869 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.224 -1.026 8.303 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.462 -0.858 8.489 1.00 0.00 H new ATOM 1096 N GLU A 79 -3.141 -5.187 10.745 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.479 -6.577 11.003 1.00 0.00 C ATOM 1098 C GLU A 79 -4.362 -6.686 12.248 1.00 0.00 C ATOM 1099 O GLU A 79 -4.112 -7.517 13.119 1.00 0.00 O ATOM 1100 CB GLU A 79 -2.218 -7.430 11.148 1.00 0.00 C ATOM 1101 CG GLU A 79 -1.983 -8.279 9.897 1.00 0.00 C ATOM 1102 CD GLU A 79 -0.488 -8.419 9.602 1.00 0.00 C ATOM 1103 OE1 GLU A 79 0.186 -9.103 10.402 1.00 0.00 O ATOM 1104 OE2 GLU A 79 -0.054 -7.840 8.583 1.00 0.00 O ATOM 0 H GLU A 79 -3.418 -4.537 11.480 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.039 -6.959 10.150 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.356 -6.785 11.321 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.311 -8.078 12.019 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.424 -9.266 10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.484 -7.822 9.044 1.00 0.00 H new ATOM 1111 N ASP A 80 -5.376 -5.834 12.292 1.00 0.00 N ATOM 1112 CA ASP A 80 -6.297 -5.824 13.416 1.00 0.00 C ATOM 1113 C ASP A 80 -7.247 -4.633 13.281 1.00 0.00 C ATOM 1114 O ASP A 80 -7.116 -3.831 12.357 1.00 0.00 O ATOM 1115 CB ASP A 80 -5.546 -5.682 14.741 1.00 0.00 C ATOM 1116 CG ASP A 80 -5.989 -6.648 15.842 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -7.070 -7.252 15.666 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -5.238 -6.761 16.835 1.00 0.00 O ATOM 0 H ASP A 80 -5.580 -5.146 11.567 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.846 -6.766 13.411 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.482 -5.829 14.556 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.668 -4.661 15.103 1.00 0.00 H new ATOM 1123 N SER A 81 -8.183 -4.555 14.215 1.00 0.00 N ATOM 1124 CA SER A 81 -9.156 -3.475 14.211 1.00 0.00 C ATOM 1125 C SER A 81 -10.138 -3.659 13.053 1.00 0.00 C ATOM 1126 O SER A 81 -10.229 -4.742 12.478 1.00 0.00 O ATOM 1127 CB SER A 81 -8.466 -2.113 14.111 1.00 0.00 C ATOM 1128 OG SER A 81 -7.385 -1.993 15.031 1.00 0.00 O ATOM 0 H SER A 81 -8.289 -5.222 14.980 1.00 0.00 H new ATOM 0 HA SER A 81 -9.705 -3.506 15.152 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.096 -1.968 13.096 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.193 -1.324 14.301 1.00 0.00 H new ATOM 0 HG SER A 81 -6.641 -1.521 14.602 1.00 0.00 H new ATOM 1134 N THR A 82 -10.850 -2.584 12.746 1.00 0.00 N ATOM 1135 CA THR A 82 -11.822 -2.614 11.667 1.00 0.00 C ATOM 1136 C THR A 82 -11.362 -1.725 10.510 1.00 0.00 C ATOM 1137 O THR A 82 -10.595 -0.785 10.711 1.00 0.00 O ATOM 1138 CB THR A 82 -13.180 -2.206 12.243 1.00 0.00 C ATOM 1139 OG1 THR A 82 -13.098 -0.788 12.354 1.00 0.00 O ATOM 1140 CG2 THR A 82 -13.371 -2.682 13.685 1.00 0.00 C ATOM 0 H THR A 82 -10.773 -1.687 13.226 1.00 0.00 H new ATOM 0 HA THR A 82 -11.917 -3.616 11.248 1.00 0.00 H new ATOM 0 HB THR A 82 -13.976 -2.611 11.618 1.00 0.00 H new ATOM 0 HG1 THR A 82 -13.938 -0.439 12.718 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.350 -2.366 14.046 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.304 -3.769 13.721 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.595 -2.250 14.317 1.00 0.00 H new ATOM 1148 N PHE A 83 -11.849 -2.055 9.323 1.00 0.00 N ATOM 1149 CA PHE A 83 -11.497 -1.299 8.133 1.00 0.00 C ATOM 1150 C PHE A 83 -11.558 0.206 8.402 1.00 0.00 C ATOM 1151 O PHE A 83 -10.821 0.979 7.792 1.00 0.00 O ATOM 1152 CB PHE A 83 -12.525 -1.655 7.057 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.701 -0.578 5.984 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -13.450 0.526 6.245 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -12.107 -0.725 4.769 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.613 1.526 5.250 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.270 0.274 3.774 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.020 1.378 4.035 1.00 0.00 C ATOM 0 H PHE A 83 -12.485 -2.836 9.160 1.00 0.00 H new ATOM 0 HA PHE A 83 -10.481 -1.545 7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -12.225 -2.586 6.577 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.487 -1.838 7.535 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.921 0.643 7.210 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.511 -1.602 4.562 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.207 2.403 5.458 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -11.798 0.157 2.809 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.145 2.137 3.277 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.443 0.576 9.316 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.609 1.975 9.673 1.00 0.00 C ATOM 1170 C GLU A 84 -11.325 2.518 10.301 1.00 0.00 C ATOM 1171 O GLU A 84 -10.886 3.619 9.972 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.802 2.162 10.613 1.00 0.00 C ATOM 1173 CG GLU A 84 -15.120 1.888 9.887 1.00 0.00 C ATOM 1174 CD GLU A 84 -16.291 1.854 10.872 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -16.464 0.794 11.511 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -16.987 2.889 10.963 1.00 0.00 O ATOM 0 H GLU A 84 -13.052 -0.068 9.820 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.812 2.541 8.764 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.706 1.490 11.466 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.804 3.179 11.006 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.293 2.659 9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.057 0.937 9.358 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.758 1.722 11.196 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.532 2.109 11.873 1.00 0.00 C ATOM 1185 C GLU A 85 -8.528 2.678 10.869 1.00 0.00 C ATOM 1186 O GLU A 85 -8.124 3.835 10.977 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.933 0.929 12.640 1.00 0.00 C ATOM 1188 CG GLU A 85 -8.595 1.325 14.079 1.00 0.00 C ATOM 1189 CD GLU A 85 -7.193 0.848 14.464 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -6.677 -0.035 13.745 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -6.669 1.377 15.468 1.00 0.00 O ATOM 0 H GLU A 85 -11.125 0.810 11.468 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.771 2.887 12.598 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.638 0.098 12.644 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.033 0.581 12.134 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.657 2.408 14.186 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.329 0.895 14.760 1.00 0.00 H new ATOM 1198 N ALA A 86 -8.154 1.839 9.915 1.00 0.00 N ATOM 1199 CA ALA A 86 -7.204 2.243 8.892 1.00 0.00 C ATOM 1200 C ALA A 86 -7.712 3.511 8.203 1.00 0.00 C ATOM 1201 O ALA A 86 -6.960 4.467 8.021 1.00 0.00 O ATOM 1202 CB ALA A 86 -6.990 1.091 7.909 1.00 0.00 C ATOM 0 H ALA A 86 -8.492 0.880 9.828 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.236 2.475 9.337 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.277 1.395 7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.601 0.224 8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.939 0.832 7.440 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.986 3.478 7.839 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.603 4.613 7.174 1.00 0.00 C ATOM 1210 C ASN A 87 -9.428 5.863 8.038 1.00 0.00 C ATOM 1211 O ASN A 87 -9.145 6.943 7.522 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.103 4.384 6.973 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.654 5.292 5.871 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -12.008 6.437 6.095 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -11.704 4.718 4.673 1.00 0.00 N ATOM 0 H ASN A 87 -9.607 2.684 7.992 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.123 4.737 6.203 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.284 3.341 6.714 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.632 4.577 7.906 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.055 5.241 3.871 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.391 3.754 4.556 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.602 5.674 9.338 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.465 6.773 10.278 1.00 0.00 C ATOM 1224 C GLN A 88 -8.034 7.314 10.259 1.00 0.00 C ATOM 1225 O GLN A 88 -7.825 8.526 10.274 1.00 0.00 O ATOM 1226 CB GLN A 88 -9.869 6.340 11.689 1.00 0.00 C ATOM 1227 CG GLN A 88 -10.965 7.249 12.249 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.149 7.338 11.284 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.632 8.408 10.950 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.588 6.158 10.856 1.00 0.00 N ATOM 0 H GLN A 88 -9.837 4.776 9.762 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.138 7.573 9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.222 5.309 11.670 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.999 6.367 12.345 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.304 6.866 13.212 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.560 8.245 12.427 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.138 5.300 11.175 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.375 6.111 10.208 1.00 0.00 H new ATOM 1239 N LEU A 89 -7.086 6.389 10.225 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.681 6.758 10.203 1.00 0.00 C ATOM 1241 C LEU A 89 -5.469 7.883 9.188 1.00 0.00 C ATOM 1242 O LEU A 89 -4.957 8.947 9.532 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.808 5.528 9.950 1.00 0.00 C ATOM 1244 CG LEU A 89 -4.893 4.417 10.999 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.697 3.469 10.891 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.036 5.002 12.405 1.00 0.00 C ATOM 0 H LEU A 89 -7.263 5.385 10.212 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.373 7.144 11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.079 5.108 8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.770 5.853 9.877 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.789 3.828 10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.782 2.689 11.647 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.682 3.014 9.901 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.774 4.028 11.048 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.094 4.192 13.132 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.172 5.628 12.628 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.944 5.603 12.458 1.00 0.00 H new ATOM 1258 N LEU A 90 -5.874 7.609 7.956 1.00 0.00 N ATOM 1259 CA LEU A 90 -5.735 8.584 6.888 1.00 0.00 C ATOM 1260 C LEU A 90 -6.300 9.928 7.353 1.00 0.00 C ATOM 1261 O LEU A 90 -5.555 10.889 7.537 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.373 8.062 5.599 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.617 6.940 4.883 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.173 6.717 3.476 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.112 7.216 4.869 1.00 0.00 C ATOM 0 H LEU A 90 -6.298 6.725 7.674 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.683 8.744 6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.376 7.706 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.484 8.897 4.908 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.769 6.015 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.619 5.915 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.226 6.443 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.071 7.634 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.598 6.404 4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.919 8.155 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.745 7.286 5.893 1.00 0.00 H new ATOM 1277 N ARG A 91 -7.613 9.951 7.531 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.287 11.161 7.972 1.00 0.00 C ATOM 1279 C ARG A 91 -7.427 11.905 8.996 1.00 0.00 C ATOM 1280 O ARG A 91 -7.055 13.057 8.779 1.00 0.00 O ATOM 1281 CB ARG A 91 -9.646 10.839 8.596 1.00 0.00 C ATOM 1282 CG ARG A 91 -10.628 10.329 7.538 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.012 10.954 7.729 1.00 0.00 C ATOM 1284 NE ARG A 91 -12.901 10.565 6.612 1.00 0.00 N ATOM 1285 CZ ARG A 91 -14.092 11.129 6.368 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -14.543 12.111 7.161 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -14.831 10.712 5.331 1.00 0.00 N ATOM 0 H ARG A 91 -8.228 9.152 7.378 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.442 11.791 7.096 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.523 10.087 9.376 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.051 11.731 9.074 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.252 10.566 6.543 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.703 9.243 7.600 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.440 10.627 8.676 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.927 12.040 7.776 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.588 9.821 5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.980 12.429 7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.449 12.541 6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.487 9.965 4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.737 11.141 5.145 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.136 11.215 10.089 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.327 11.796 11.147 1.00 0.00 C ATOM 1303 C ASP A 92 -5.046 12.377 10.543 1.00 0.00 C ATOM 1304 O ASP A 92 -4.696 13.525 10.809 1.00 0.00 O ATOM 1305 CB ASP A 92 -5.926 10.739 12.177 1.00 0.00 C ATOM 1306 CG ASP A 92 -4.816 11.163 13.141 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -4.588 12.388 13.240 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -4.221 10.253 13.758 1.00 0.00 O ATOM 0 H ASP A 92 -7.446 10.259 10.265 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.917 12.571 11.636 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.807 10.467 12.758 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.604 9.842 11.648 1.00 0.00 H new ATOM 1313 N SER A 93 -4.383 11.556 9.742 1.00 0.00 N ATOM 1314 CA SER A 93 -3.149 11.974 9.098 1.00 0.00 C ATOM 1315 C SER A 93 -3.307 13.385 8.529 1.00 0.00 C ATOM 1316 O SER A 93 -2.347 14.152 8.486 1.00 0.00 O ATOM 1317 CB SER A 93 -2.747 10.997 7.991 1.00 0.00 C ATOM 1318 OG SER A 93 -2.841 9.640 8.416 1.00 0.00 O ATOM 0 H SER A 93 -4.677 10.604 9.524 1.00 0.00 H new ATOM 0 HA SER A 93 -2.357 11.978 9.847 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.387 11.150 7.122 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.725 11.208 7.675 1.00 0.00 H new ATOM 0 HG SER A 93 -3.784 9.385 8.491 1.00 0.00 H new ATOM 1324 N SER A 94 -4.527 13.685 8.107 1.00 0.00 N ATOM 1325 CA SER A 94 -4.823 14.991 7.543 1.00 0.00 C ATOM 1326 C SER A 94 -4.348 16.092 8.493 1.00 0.00 C ATOM 1327 O SER A 94 -3.941 17.165 8.051 1.00 0.00 O ATOM 1328 CB SER A 94 -6.319 15.142 7.261 1.00 0.00 C ATOM 1329 OG SER A 94 -6.827 14.065 6.479 1.00 0.00 O ATOM 0 H SER A 94 -5.321 13.046 8.144 1.00 0.00 H new ATOM 0 HA SER A 94 -4.291 15.083 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.862 15.192 8.205 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.496 16.083 6.740 1.00 0.00 H new ATOM 0 HG SER A 94 -6.842 13.247 7.019 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.416 15.788 9.781 1.00 0.00 N ATOM 1336 CA ILE A 95 -3.998 16.739 10.797 1.00 0.00 C ATOM 1337 C ILE A 95 -2.591 17.242 10.470 1.00 0.00 C ATOM 1338 O ILE A 95 -2.402 18.421 10.174 1.00 0.00 O ATOM 1339 CB ILE A 95 -4.122 16.122 12.191 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.571 16.164 12.683 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.163 16.794 13.176 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.835 15.059 13.707 1.00 0.00 C ATOM 0 H ILE A 95 -4.754 14.897 10.144 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.655 17.609 10.799 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.834 15.073 12.126 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.779 17.136 13.130 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.249 16.051 11.837 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.272 16.336 14.159 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.138 16.668 12.829 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.396 17.857 13.243 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.872 15.112 14.040 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.650 14.087 13.249 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.172 15.190 14.562 1.00 0.00 H new ATOM 1354 N THR A 96 -1.638 16.323 10.535 1.00 0.00 N ATOM 1355 CA THR A 96 -0.254 16.658 10.250 1.00 0.00 C ATOM 1356 C THR A 96 -0.074 16.959 8.761 1.00 0.00 C ATOM 1357 O THR A 96 0.999 17.384 8.335 1.00 0.00 O ATOM 1358 CB THR A 96 0.624 15.508 10.748 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.950 15.922 10.433 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.430 14.228 9.932 1.00 0.00 C ATOM 0 H THR A 96 -1.798 15.346 10.781 1.00 0.00 H new ATOM 0 HA THR A 96 0.048 17.566 10.772 1.00 0.00 H new ATOM 0 HB THR A 96 0.400 15.308 11.796 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.923 16.585 9.711 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.076 13.444 10.327 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.610 13.909 9.998 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.686 14.419 8.890 1.00 0.00 H new ATOM 1368 N SER A 97 -1.140 16.727 8.010 1.00 0.00 N ATOM 1369 CA SER A 97 -1.114 16.968 6.577 1.00 0.00 C ATOM 1370 C SER A 97 -0.088 16.049 5.911 1.00 0.00 C ATOM 1371 O SER A 97 0.467 16.387 4.867 1.00 0.00 O ATOM 1372 CB SER A 97 -0.793 18.432 6.271 1.00 0.00 C ATOM 1373 OG SER A 97 -1.946 19.155 5.849 1.00 0.00 O ATOM 0 H SER A 97 -2.028 16.374 8.367 1.00 0.00 H new ATOM 0 HA SER A 97 -2.103 16.749 6.175 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.374 18.904 7.159 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.030 18.481 5.494 1.00 0.00 H new ATOM 0 HG SER A 97 -1.699 20.085 5.665 1.00 0.00 H new ATOM 1379 N LYS A 98 0.132 14.905 6.542 1.00 0.00 N ATOM 1380 CA LYS A 98 1.081 13.935 6.024 1.00 0.00 C ATOM 1381 C LYS A 98 0.707 12.541 6.530 1.00 0.00 C ATOM 1382 O LYS A 98 0.476 12.351 7.724 1.00 0.00 O ATOM 1383 CB LYS A 98 2.513 14.350 6.367 1.00 0.00 C ATOM 1384 CG LYS A 98 3.486 13.924 5.266 1.00 0.00 C ATOM 1385 CD LYS A 98 4.545 15.001 5.022 1.00 0.00 C ATOM 1386 CE LYS A 98 4.198 15.843 3.793 1.00 0.00 C ATOM 1387 NZ LYS A 98 5.408 16.512 3.265 1.00 0.00 N ATOM 0 H LYS A 98 -0.331 14.628 7.408 1.00 0.00 H new ATOM 0 HA LYS A 98 1.035 13.902 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.560 15.431 6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.809 13.899 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.971 12.989 5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.937 13.734 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.623 15.645 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.520 14.533 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.760 15.209 3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.448 16.589 4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.155 17.079 2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 5.809 17.132 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.111 15.795 2.995 1.00 0.00 H new ATOM 1401 N VAL A 99 0.658 11.600 5.598 1.00 0.00 N ATOM 1402 CA VAL A 99 0.316 10.229 5.936 1.00 0.00 C ATOM 1403 C VAL A 99 1.420 9.295 5.436 1.00 0.00 C ATOM 1404 O VAL A 99 1.958 9.491 4.348 1.00 0.00 O ATOM 1405 CB VAL A 99 -1.063 9.880 5.372 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -1.070 9.973 3.845 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.511 8.494 5.839 1.00 0.00 C ATOM 0 H VAL A 99 0.849 11.760 4.609 1.00 0.00 H new ATOM 0 HA VAL A 99 0.251 10.106 7.017 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.777 10.609 5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.062 9.720 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.815 10.988 3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.338 9.277 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.494 8.270 5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.795 7.746 5.499 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.564 8.476 6.928 1.00 0.00 H new ATOM 1417 N THR A 100 1.724 8.299 6.256 1.00 0.00 N ATOM 1418 CA THR A 100 2.754 7.334 5.911 1.00 0.00 C ATOM 1419 C THR A 100 2.132 5.961 5.648 1.00 0.00 C ATOM 1420 O THR A 100 1.435 5.417 6.503 1.00 0.00 O ATOM 1421 CB THR A 100 3.790 7.326 7.037 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.698 8.365 6.681 1.00 0.00 O ATOM 1423 CG2 THR A 100 4.651 6.061 7.031 1.00 0.00 C ATOM 0 H THR A 100 1.275 8.140 7.158 1.00 0.00 H new ATOM 0 HA THR A 100 3.260 7.609 4.986 1.00 0.00 H new ATOM 0 HB THR A 100 3.283 7.416 7.998 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.402 8.430 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.369 6.106 7.850 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.013 5.186 7.156 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.185 5.989 6.083 1.00 0.00 H new ATOM 1431 N LEU A 101 2.407 5.441 4.461 1.00 0.00 N ATOM 1432 CA LEU A 101 1.883 4.142 4.074 1.00 0.00 C ATOM 1433 C LEU A 101 3.047 3.187 3.803 1.00 0.00 C ATOM 1434 O LEU A 101 3.870 3.440 2.924 1.00 0.00 O ATOM 1435 CB LEU A 101 0.916 4.283 2.896 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.281 5.209 3.119 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -0.970 5.542 1.794 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -1.255 4.611 4.137 1.00 0.00 C ATOM 0 H LEU A 101 2.986 5.895 3.755 1.00 0.00 H new ATOM 0 HA LEU A 101 1.298 3.710 4.886 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.475 4.646 2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.541 3.292 2.639 1.00 0.00 H new ATOM 0 HG LEU A 101 0.085 6.147 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.818 6.202 1.980 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.262 6.039 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.322 4.623 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.097 5.289 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.619 3.651 3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.743 4.466 5.089 1.00 0.00 H new ATOM 1450 N GLU A 102 3.079 2.110 4.574 1.00 0.00 N ATOM 1451 CA GLU A 102 4.129 1.116 4.428 1.00 0.00 C ATOM 1452 C GLU A 102 3.755 0.105 3.342 1.00 0.00 C ATOM 1453 O GLU A 102 2.894 -0.748 3.554 1.00 0.00 O ATOM 1454 CB GLU A 102 4.409 0.415 5.758 1.00 0.00 C ATOM 1455 CG GLU A 102 5.828 -0.157 5.789 1.00 0.00 C ATOM 1456 CD GLU A 102 6.484 0.078 7.151 1.00 0.00 C ATOM 1457 OE1 GLU A 102 5.890 -0.374 8.153 1.00 0.00 O ATOM 1458 OE2 GLU A 102 7.566 0.705 7.159 1.00 0.00 O ATOM 0 H GLU A 102 2.395 1.904 5.302 1.00 0.00 H new ATOM 0 HA GLU A 102 5.044 1.624 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.279 1.120 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.687 -0.387 5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.798 -1.225 5.575 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.429 0.308 5.007 1.00 0.00 H new ATOM 1465 N ILE A 103 4.421 0.233 2.204 1.00 0.00 N ATOM 1466 CA ILE A 103 4.170 -0.659 1.085 1.00 0.00 C ATOM 1467 C ILE A 103 5.272 -1.719 1.026 1.00 0.00 C ATOM 1468 O ILE A 103 6.330 -1.553 1.631 1.00 0.00 O ATOM 1469 CB ILE A 103 4.012 0.138 -0.211 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.991 1.265 -0.041 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.661 -0.783 -1.381 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.568 0.756 -0.280 1.00 0.00 C ATOM 0 H ILE A 103 5.135 0.941 2.033 1.00 0.00 H new ATOM 0 HA ILE A 103 3.227 -1.187 1.223 1.00 0.00 H new ATOM 0 HB ILE A 103 4.969 0.604 -0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.068 1.682 0.963 1.00 0.00 H new ATOM 0 HG13 ILE A 103 3.215 2.072 -0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.554 -0.192 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.455 -1.517 -1.517 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.723 -1.297 -1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.862 1.577 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.488 0.362 -1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.339 -0.034 0.436 1.00 0.00 H new ATOM 1484 N GLU A 104 4.987 -2.783 0.290 1.00 0.00 N ATOM 1485 CA GLU A 104 5.941 -3.869 0.144 1.00 0.00 C ATOM 1486 C GLU A 104 6.007 -4.324 -1.315 1.00 0.00 C ATOM 1487 O GLU A 104 4.989 -4.690 -1.902 1.00 0.00 O ATOM 1488 CB GLU A 104 5.588 -5.037 1.067 1.00 0.00 C ATOM 1489 CG GLU A 104 6.267 -6.327 0.603 1.00 0.00 C ATOM 1490 CD GLU A 104 6.639 -7.211 1.795 1.00 0.00 C ATOM 1491 OE1 GLU A 104 7.342 -6.691 2.689 1.00 0.00 O ATOM 1492 OE2 GLU A 104 6.213 -8.386 1.786 1.00 0.00 O ATOM 0 H GLU A 104 4.109 -2.916 -0.212 1.00 0.00 H new ATOM 0 HA GLU A 104 6.926 -3.504 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.897 -4.806 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.507 -5.177 1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.601 -6.873 -0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.163 -6.085 0.032 1.00 0.00 H new ATOM 1499 N PHE A 105 7.214 -4.287 -1.860 1.00 0.00 N ATOM 1500 CA PHE A 105 7.426 -4.691 -3.239 1.00 0.00 C ATOM 1501 C PHE A 105 8.589 -5.679 -3.348 1.00 0.00 C ATOM 1502 O PHE A 105 9.255 -5.972 -2.356 1.00 0.00 O ATOM 1503 CB PHE A 105 7.772 -3.426 -4.027 1.00 0.00 C ATOM 1504 CG PHE A 105 8.814 -2.535 -3.349 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.491 -1.847 -2.221 1.00 0.00 C ATOM 1506 CD2 PHE A 105 10.065 -2.430 -3.874 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.458 -1.020 -1.591 1.00 0.00 C ATOM 1508 CE2 PHE A 105 11.032 -1.603 -3.244 1.00 0.00 C ATOM 1509 CZ PHE A 105 10.708 -0.916 -2.116 1.00 0.00 C ATOM 0 H PHE A 105 8.056 -3.983 -1.371 1.00 0.00 H new ATOM 0 HA PHE A 105 6.532 -5.180 -3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 105 8.141 -3.713 -5.012 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.861 -2.848 -4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.498 -1.930 -1.804 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.322 -2.976 -4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.201 -0.474 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.025 -1.520 -3.661 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.444 -0.287 -1.637 1.00 0.00 H new ATOM 1519 N ASP A 106 8.799 -6.165 -4.563 1.00 0.00 N ATOM 1520 CA ASP A 106 9.870 -7.114 -4.815 1.00 0.00 C ATOM 1521 C ASP A 106 11.077 -6.372 -5.392 1.00 0.00 C ATOM 1522 O ASP A 106 10.934 -5.288 -5.954 1.00 0.00 O ATOM 1523 CB ASP A 106 9.438 -8.175 -5.829 1.00 0.00 C ATOM 1524 CG ASP A 106 7.983 -8.632 -5.707 1.00 0.00 C ATOM 1525 OD1 ASP A 106 7.709 -9.407 -4.765 1.00 0.00 O ATOM 1526 OD2 ASP A 106 7.178 -8.195 -6.557 1.00 0.00 O ATOM 0 H ASP A 106 8.245 -5.919 -5.384 1.00 0.00 H new ATOM 0 HA ASP A 106 10.121 -7.598 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.597 -7.782 -6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 106 10.086 -9.044 -5.721 1.00 0.00 H new