USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 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 Set 1.1: A 74 ASN :FLIP amide:sc= 0.493 F(o=-0.66,f=0.35) USER MOD Set 1.2: A 93 SER OG : rot -88:sc= -0.148 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0764 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 62:sc= 0.129 USER MOD Single : A 32 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.28) USER MOD Single : A 34 GLN : amide:sc= -3.93! C(o=-3.9!,f=-5.1!) 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 127:sc= 0.708 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00872 X(o=-0.0087,f=0) USER MOD Single : A 71 MET CE :methyl 145:sc= -0.409 (180deg=-2.32!) USER MOD Single : A 78 THR OG1 : rot 35:sc= -2.02! USER MOD Single : A 81 SER OG : rot 180:sc= 0.0875 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0513 X(o=-0.051,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.00064) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -33:sc= 0.269! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -131:sc= -0.0584 (180deg=-1.39!) USER MOD Single : A 100 THR OG1 : rot 170:sc=-0.00248 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.737 -11.383 -2.020 1.00 0.00 N ATOM 133 CA HIS A 13 13.537 -10.566 -0.835 1.00 0.00 C ATOM 134 C HIS A 13 12.516 -9.468 -1.135 1.00 0.00 C ATOM 135 O HIS A 13 12.227 -9.184 -2.297 1.00 0.00 O ATOM 136 CB HIS A 13 14.870 -10.014 -0.326 1.00 0.00 C ATOM 137 CG HIS A 13 15.568 -9.097 -1.302 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.320 -9.566 -2.365 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.619 -7.735 -1.365 1.00 0.00 C ATOM 140 CE1 HIS A 13 16.798 -8.525 -3.030 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.363 -7.391 -2.409 1.00 0.00 N ATOM 0 HA HIS A 13 13.132 -11.179 -0.030 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.696 -9.473 0.604 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.531 -10.848 -0.091 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.136 -7.053 -0.681 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.423 -8.567 -3.910 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.575 -6.436 -2.699 1.00 0.00 H new ATOM 149 N THR A 14 11.997 -8.879 -0.068 1.00 0.00 N ATOM 150 CA THR A 14 11.014 -7.817 -0.202 1.00 0.00 C ATOM 151 C THR A 14 11.397 -6.622 0.672 1.00 0.00 C ATOM 152 O THR A 14 11.850 -6.794 1.803 1.00 0.00 O ATOM 153 CB THR A 14 9.640 -8.400 0.134 1.00 0.00 C ATOM 154 OG1 THR A 14 9.914 -9.385 1.127 1.00 0.00 O ATOM 155 CG2 THR A 14 9.042 -9.198 -1.027 1.00 0.00 C ATOM 0 H THR A 14 12.239 -9.117 0.894 1.00 0.00 H new ATOM 0 HA THR A 14 10.981 -7.435 -1.222 1.00 0.00 H new ATOM 0 HB THR A 14 8.961 -7.593 0.407 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.077 -9.812 1.404 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.067 -9.589 -0.736 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.927 -8.548 -1.894 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.705 -10.026 -1.279 1.00 0.00 H new ATOM 163 N GLU A 15 11.202 -5.435 0.115 1.00 0.00 N ATOM 164 CA GLU A 15 11.521 -4.211 0.829 1.00 0.00 C ATOM 165 C GLU A 15 10.267 -3.352 0.997 1.00 0.00 C ATOM 166 O GLU A 15 9.359 -3.405 0.169 1.00 0.00 O ATOM 167 CB GLU A 15 12.628 -3.433 0.116 1.00 0.00 C ATOM 168 CG GLU A 15 13.992 -4.088 0.340 1.00 0.00 C ATOM 169 CD GLU A 15 15.119 -3.058 0.244 1.00 0.00 C ATOM 170 OE1 GLU A 15 14.980 -2.142 -0.596 1.00 0.00 O ATOM 171 OE2 GLU A 15 16.093 -3.208 1.013 1.00 0.00 O ATOM 0 H GLU A 15 10.827 -5.296 -0.823 1.00 0.00 H new ATOM 0 HA GLU A 15 11.890 -4.477 1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.414 -3.386 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.649 -2.407 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.013 -4.565 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.148 -4.873 -0.400 1.00 0.00 H new ATOM 178 N THR A 16 10.257 -2.580 2.074 1.00 0.00 N ATOM 179 CA THR A 16 9.129 -1.710 2.360 1.00 0.00 C ATOM 180 C THR A 16 9.465 -0.262 1.997 1.00 0.00 C ATOM 181 O THR A 16 10.618 0.154 2.096 1.00 0.00 O ATOM 182 CB THR A 16 8.751 -1.894 3.831 1.00 0.00 C ATOM 183 OG1 THR A 16 9.918 -2.461 4.421 1.00 0.00 O ATOM 184 CG2 THR A 16 7.676 -2.965 4.030 1.00 0.00 C ATOM 0 H THR A 16 11.012 -2.539 2.759 1.00 0.00 H new ATOM 0 HA THR A 16 8.264 -1.972 1.751 1.00 0.00 H new ATOM 0 HB THR A 16 8.398 -0.946 4.236 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.761 -2.612 5.377 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.445 -3.056 5.091 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.775 -2.682 3.485 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.041 -3.921 3.655 1.00 0.00 H new ATOM 192 N THR A 17 8.438 0.465 1.583 1.00 0.00 N ATOM 193 CA THR A 17 8.610 1.857 1.204 1.00 0.00 C ATOM 194 C THR A 17 7.619 2.742 1.962 1.00 0.00 C ATOM 195 O THR A 17 6.543 2.288 2.346 1.00 0.00 O ATOM 196 CB THR A 17 8.471 1.953 -0.317 1.00 0.00 C ATOM 197 OG1 THR A 17 8.619 3.344 -0.591 1.00 0.00 O ATOM 198 CG2 THR A 17 7.055 1.627 -0.797 1.00 0.00 C ATOM 0 H THR A 17 7.483 0.116 1.502 1.00 0.00 H new ATOM 0 HA THR A 17 9.600 2.223 1.478 1.00 0.00 H new ATOM 0 HB THR A 17 9.180 1.274 -0.790 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.544 3.497 -1.556 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.011 1.710 -1.883 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.795 0.611 -0.500 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.349 2.328 -0.351 1.00 0.00 H new ATOM 206 N GLU A 18 8.019 3.991 2.155 1.00 0.00 N ATOM 207 CA GLU A 18 7.180 4.944 2.861 1.00 0.00 C ATOM 208 C GLU A 18 6.785 6.094 1.931 1.00 0.00 C ATOM 209 O GLU A 18 7.641 6.853 1.480 1.00 0.00 O ATOM 210 CB GLU A 18 7.881 5.469 4.115 1.00 0.00 C ATOM 211 CG GLU A 18 7.260 6.788 4.580 1.00 0.00 C ATOM 212 CD GLU A 18 7.566 7.048 6.056 1.00 0.00 C ATOM 213 OE1 GLU A 18 7.840 6.054 6.762 1.00 0.00 O ATOM 214 OE2 GLU A 18 7.518 8.235 6.445 1.00 0.00 O ATOM 0 H GLU A 18 8.913 4.364 1.835 1.00 0.00 H new ATOM 0 HA GLU A 18 6.272 4.432 3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.810 4.729 4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.941 5.615 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.645 7.609 3.975 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.181 6.759 4.428 1.00 0.00 H new ATOM 221 N VAL A 19 5.489 6.185 1.673 1.00 0.00 N ATOM 222 CA VAL A 19 4.971 7.229 0.805 1.00 0.00 C ATOM 223 C VAL A 19 4.492 8.405 1.659 1.00 0.00 C ATOM 224 O VAL A 19 3.860 8.207 2.696 1.00 0.00 O ATOM 225 CB VAL A 19 3.875 6.662 -0.099 1.00 0.00 C ATOM 226 CG1 VAL A 19 2.551 6.534 0.657 1.00 0.00 C ATOM 227 CG2 VAL A 19 3.707 7.515 -1.358 1.00 0.00 C ATOM 0 H VAL A 19 4.782 5.553 2.050 1.00 0.00 H new ATOM 0 HA VAL A 19 5.756 7.603 0.147 1.00 0.00 H new ATOM 0 HB VAL A 19 4.181 5.663 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.789 6.129 -0.009 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.681 5.866 1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.238 7.516 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.922 7.090 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.435 8.532 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.644 7.532 -1.914 1.00 0.00 H new ATOM 237 N VAL A 20 4.811 9.603 1.192 1.00 0.00 N ATOM 238 CA VAL A 20 4.421 10.810 1.900 1.00 0.00 C ATOM 239 C VAL A 20 3.423 11.596 1.047 1.00 0.00 C ATOM 240 O VAL A 20 3.769 12.088 -0.026 1.00 0.00 O ATOM 241 CB VAL A 20 5.662 11.624 2.269 1.00 0.00 C ATOM 242 CG1 VAL A 20 6.393 12.110 1.016 1.00 0.00 C ATOM 243 CG2 VAL A 20 5.297 12.798 3.181 1.00 0.00 C ATOM 0 H VAL A 20 5.335 9.764 0.332 1.00 0.00 H new ATOM 0 HA VAL A 20 3.923 10.559 2.836 1.00 0.00 H new ATOM 0 HB VAL A 20 6.339 10.970 2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.271 12.686 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.703 11.252 0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.726 12.739 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.197 13.360 3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.591 13.451 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.843 12.420 4.097 1.00 0.00 H new ATOM 253 N LEU A 21 2.203 11.690 1.556 1.00 0.00 N ATOM 254 CA LEU A 21 1.152 12.408 0.855 1.00 0.00 C ATOM 255 C LEU A 21 0.698 13.597 1.704 1.00 0.00 C ATOM 256 O LEU A 21 0.468 13.455 2.904 1.00 0.00 O ATOM 257 CB LEU A 21 0.017 11.456 0.472 1.00 0.00 C ATOM 258 CG LEU A 21 0.428 10.195 -0.290 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.679 9.140 -0.240 1.00 0.00 C ATOM 260 CD2 LEU A 21 0.836 10.530 -1.726 1.00 0.00 C ATOM 0 H LEU A 21 1.919 11.281 2.446 1.00 0.00 H new ATOM 0 HA LEU A 21 1.528 12.813 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.500 11.154 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.702 12.005 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 21 1.302 9.769 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.362 8.253 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.880 8.872 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.585 9.542 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.124 9.616 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.004 10.993 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.679 11.220 -1.713 1.00 0.00 H new ATOM 272 N THR A 22 0.583 14.742 1.049 1.00 0.00 N ATOM 273 CA THR A 22 0.160 15.955 1.729 1.00 0.00 C ATOM 274 C THR A 22 -1.333 16.199 1.503 1.00 0.00 C ATOM 275 O THR A 22 -1.745 16.582 0.410 1.00 0.00 O ATOM 276 CB THR A 22 1.045 17.103 1.240 1.00 0.00 C ATOM 277 OG1 THR A 22 2.346 16.529 1.158 1.00 0.00 O ATOM 278 CG2 THR A 22 1.192 18.213 2.283 1.00 0.00 C ATOM 0 H THR A 22 0.775 14.856 0.054 1.00 0.00 H new ATOM 0 HA THR A 22 0.283 15.868 2.809 1.00 0.00 H new ATOM 0 HB THR A 22 0.626 17.519 0.323 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.983 17.205 0.846 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.829 19.003 1.886 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.210 18.623 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.642 17.805 3.188 1.00 0.00 H new ATOM 286 N ALA A 23 -2.104 15.968 2.557 1.00 0.00 N ATOM 287 CA ALA A 23 -3.542 16.159 2.488 1.00 0.00 C ATOM 288 C ALA A 23 -3.847 17.417 1.672 1.00 0.00 C ATOM 289 O ALA A 23 -3.788 18.529 2.195 1.00 0.00 O ATOM 290 CB ALA A 23 -4.117 16.228 3.904 1.00 0.00 C ATOM 0 H ALA A 23 -1.759 15.650 3.463 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.017 15.317 1.985 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.196 16.371 3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.899 15.299 4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.666 17.063 4.440 1.00 0.00 H new ATOM 296 N ASP A 24 -4.167 17.199 0.405 1.00 0.00 N ATOM 297 CA ASP A 24 -4.482 18.302 -0.487 1.00 0.00 C ATOM 298 C ASP A 24 -5.532 19.200 0.169 1.00 0.00 C ATOM 299 O ASP A 24 -6.095 18.848 1.204 1.00 0.00 O ATOM 300 CB ASP A 24 -5.056 17.792 -1.811 1.00 0.00 C ATOM 301 CG ASP A 24 -4.267 18.199 -3.057 1.00 0.00 C ATOM 302 OD1 ASP A 24 -3.065 18.499 -2.895 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.885 18.202 -4.144 1.00 0.00 O ATOM 0 H ASP A 24 -4.215 16.275 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.561 18.853 -0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.108 16.704 -1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.078 18.157 -1.911 1.00 0.00 H new ATOM 308 N PRO A 25 -5.770 20.373 -0.477 1.00 0.00 N ATOM 309 CA PRO A 25 -6.743 21.324 0.033 1.00 0.00 C ATOM 310 C PRO A 25 -8.171 20.846 -0.237 1.00 0.00 C ATOM 311 O PRO A 25 -9.123 21.360 0.349 1.00 0.00 O ATOM 312 CB PRO A 25 -6.414 22.634 -0.664 1.00 0.00 C ATOM 313 CG PRO A 25 -5.576 22.263 -1.876 1.00 0.00 C ATOM 314 CD PRO A 25 -5.122 20.822 -1.706 1.00 0.00 C ATOM 0 HA PRO A 25 -6.691 21.439 1.116 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.323 23.156 -0.963 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.866 23.303 -0.000 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.158 22.374 -2.791 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.716 22.927 -1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.420 20.210 -2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.037 20.755 -1.629 1.00 0.00 H new ATOM 322 N VAL A 26 -8.276 19.867 -1.123 1.00 0.00 N ATOM 323 CA VAL A 26 -9.572 19.313 -1.477 1.00 0.00 C ATOM 324 C VAL A 26 -9.520 17.789 -1.360 1.00 0.00 C ATOM 325 O VAL A 26 -10.254 17.198 -0.569 1.00 0.00 O ATOM 326 CB VAL A 26 -9.982 19.792 -2.872 1.00 0.00 C ATOM 327 CG1 VAL A 26 -11.077 18.899 -3.458 1.00 0.00 C ATOM 328 CG2 VAL A 26 -10.427 21.256 -2.840 1.00 0.00 C ATOM 0 H VAL A 26 -7.484 19.443 -1.607 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.339 19.666 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.109 19.721 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.350 19.261 -4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.710 17.875 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.952 18.923 -2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.713 21.571 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.280 21.363 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.606 21.878 -2.484 1.00 0.00 H new ATOM 338 N THR A 27 -8.645 17.195 -2.159 1.00 0.00 N ATOM 339 CA THR A 27 -8.487 15.751 -2.154 1.00 0.00 C ATOM 340 C THR A 27 -7.312 15.345 -1.262 1.00 0.00 C ATOM 341 O THR A 27 -6.288 14.874 -1.755 1.00 0.00 O ATOM 342 CB THR A 27 -8.338 15.287 -3.604 1.00 0.00 C ATOM 343 OG1 THR A 27 -7.341 16.150 -4.144 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.582 15.583 -4.445 1.00 0.00 C ATOM 0 H THR A 27 -8.038 17.688 -2.814 1.00 0.00 H new ATOM 0 HA THR A 27 -9.362 15.259 -1.728 1.00 0.00 H new ATOM 0 HB THR A 27 -8.134 14.217 -3.623 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.502 16.029 -3.652 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.423 15.234 -5.465 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.442 15.070 -4.015 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.768 16.657 -4.454 1.00 0.00 H new ATOM 352 N GLY A 28 -7.499 15.543 0.034 1.00 0.00 N ATOM 353 CA GLY A 28 -6.467 15.203 1.000 1.00 0.00 C ATOM 354 C GLY A 28 -5.475 14.199 0.411 1.00 0.00 C ATOM 355 O GLY A 28 -4.464 14.588 -0.173 1.00 0.00 O ATOM 0 H GLY A 28 -8.350 15.935 0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.938 16.106 1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.926 14.784 1.895 1.00 0.00 H new ATOM 359 N PHE A 29 -5.798 12.926 0.584 1.00 0.00 N ATOM 360 CA PHE A 29 -4.947 11.862 0.077 1.00 0.00 C ATOM 361 C PHE A 29 -5.596 11.164 -1.120 1.00 0.00 C ATOM 362 O PHE A 29 -4.903 10.606 -1.969 1.00 0.00 O ATOM 363 CB PHE A 29 -4.773 10.849 1.210 1.00 0.00 C ATOM 364 CG PHE A 29 -4.381 11.476 2.549 1.00 0.00 C ATOM 365 CD1 PHE A 29 -3.292 12.286 2.628 1.00 0.00 C ATOM 366 CD2 PHE A 29 -5.121 11.221 3.662 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.927 12.868 3.871 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.756 11.802 4.905 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.667 12.613 4.984 1.00 0.00 C ATOM 0 H PHE A 29 -6.637 12.607 1.068 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.992 12.274 -0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.705 10.298 1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.011 10.125 0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.704 12.487 1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.986 10.577 3.600 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.063 13.513 3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.343 11.600 5.788 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.390 13.054 5.930 1.00 0.00 H new ATOM 379 N GLY A 30 -6.920 11.219 -1.150 1.00 0.00 N ATOM 380 CA GLY A 30 -7.670 10.599 -2.229 1.00 0.00 C ATOM 381 C GLY A 30 -7.260 9.136 -2.412 1.00 0.00 C ATOM 382 O GLY A 30 -6.674 8.775 -3.432 1.00 0.00 O ATOM 0 H GLY A 30 -7.492 11.683 -0.445 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.737 10.657 -2.015 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.500 11.147 -3.156 1.00 0.00 H new ATOM 386 N ILE A 31 -7.584 8.334 -1.409 1.00 0.00 N ATOM 387 CA ILE A 31 -7.256 6.919 -1.447 1.00 0.00 C ATOM 388 C ILE A 31 -8.456 6.109 -0.952 1.00 0.00 C ATOM 389 O ILE A 31 -9.224 6.579 -0.114 1.00 0.00 O ATOM 390 CB ILE A 31 -5.967 6.646 -0.669 1.00 0.00 C ATOM 391 CG1 ILE A 31 -4.899 7.691 -0.995 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.469 5.221 -0.915 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.735 7.613 -0.004 1.00 0.00 C ATOM 0 H ILE A 31 -8.070 8.637 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.056 6.602 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.186 6.730 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.530 7.535 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.340 8.688 -0.966 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.552 5.054 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.229 4.509 -0.592 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.271 5.083 -1.978 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.990 8.367 -0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.104 7.794 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.281 6.623 -0.053 1.00 0.00 H new ATOM 405 N GLN A 32 -8.580 4.905 -1.492 1.00 0.00 N ATOM 406 CA GLN A 32 -9.673 4.025 -1.115 1.00 0.00 C ATOM 407 C GLN A 32 -9.132 2.661 -0.683 1.00 0.00 C ATOM 408 O GLN A 32 -8.169 2.160 -1.260 1.00 0.00 O ATOM 409 CB GLN A 32 -10.678 3.878 -2.260 1.00 0.00 C ATOM 410 CG GLN A 32 -11.877 4.807 -2.060 1.00 0.00 C ATOM 411 CD GLN A 32 -12.761 4.321 -0.910 1.00 0.00 C ATOM 412 OE1 GLN A 32 -12.713 4.826 0.200 1.00 0.00 O ATOM 413 NE2 GLN A 32 -13.568 3.315 -1.235 1.00 0.00 N ATOM 0 H GLN A 32 -7.942 4.519 -2.187 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.197 4.471 -0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.191 4.106 -3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.020 2.845 -2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.527 5.818 -1.852 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.462 4.854 -2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -13.558 2.939 -2.183 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.197 2.920 -0.536 1.00 0.00 H new ATOM 422 N LEU A 33 -9.776 2.099 0.330 1.00 0.00 N ATOM 423 CA LEU A 33 -9.371 0.803 0.847 1.00 0.00 C ATOM 424 C LEU A 33 -10.527 -0.187 0.691 1.00 0.00 C ATOM 425 O LEU A 33 -11.680 0.217 0.550 1.00 0.00 O ATOM 426 CB LEU A 33 -8.863 0.934 2.284 1.00 0.00 C ATOM 427 CG LEU A 33 -7.975 2.146 2.574 1.00 0.00 C ATOM 428 CD1 LEU A 33 -8.216 2.676 3.989 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.501 1.817 2.328 1.00 0.00 C ATOM 0 H LEU A 33 -10.575 2.518 0.806 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.533 0.409 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.724 0.972 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.305 0.032 2.535 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.247 2.943 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.573 3.537 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.259 2.974 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.988 1.895 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.892 2.695 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.197 0.998 2.980 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.362 1.523 1.287 1.00 0.00 H new ATOM 441 N GLN A 34 -10.178 -1.465 0.722 1.00 0.00 N ATOM 442 CA GLN A 34 -11.172 -2.516 0.585 1.00 0.00 C ATOM 443 C GLN A 34 -11.439 -3.173 1.941 1.00 0.00 C ATOM 444 O GLN A 34 -10.508 -3.434 2.702 1.00 0.00 O ATOM 445 CB GLN A 34 -10.735 -3.553 -0.451 1.00 0.00 C ATOM 446 CG GLN A 34 -9.259 -3.917 -0.274 1.00 0.00 C ATOM 447 CD GLN A 34 -8.996 -5.363 -0.698 1.00 0.00 C ATOM 448 OE1 GLN A 34 -8.790 -5.668 -1.862 1.00 0.00 O ATOM 449 NE2 GLN A 34 -9.014 -6.234 0.307 1.00 0.00 N ATOM 0 H GLN A 34 -9.221 -1.796 0.840 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.100 -2.068 0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.348 -4.449 -0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.899 -3.161 -1.455 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.641 -3.242 -0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.970 -3.782 0.768 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -9.193 -5.912 1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.849 -7.224 0.127 1.00 0.00 H new ATOM 620 N PRO A 47 -5.523 -3.946 4.345 1.00 0.00 N ATOM 621 CA PRO A 47 -6.371 -3.139 3.486 1.00 0.00 C ATOM 622 C PRO A 47 -5.640 -2.757 2.197 1.00 0.00 C ATOM 623 O PRO A 47 -4.617 -2.075 2.238 1.00 0.00 O ATOM 624 CB PRO A 47 -6.755 -1.934 4.330 1.00 0.00 C ATOM 625 CG PRO A 47 -5.740 -1.878 5.460 1.00 0.00 C ATOM 626 CD PRO A 47 -5.000 -3.205 5.490 1.00 0.00 C ATOM 0 HA PRO A 47 -7.260 -3.673 3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.732 -1.019 3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.768 -2.036 4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.042 -1.055 5.305 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.239 -1.698 6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.923 -3.060 5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.181 -3.738 6.423 1.00 0.00 H new ATOM 634 N LEU A 48 -6.194 -3.212 1.083 1.00 0.00 N ATOM 635 CA LEU A 48 -5.608 -2.927 -0.216 1.00 0.00 C ATOM 636 C LEU A 48 -6.235 -1.652 -0.784 1.00 0.00 C ATOM 637 O LEU A 48 -7.407 -1.370 -0.540 1.00 0.00 O ATOM 638 CB LEU A 48 -5.736 -4.139 -1.140 1.00 0.00 C ATOM 639 CG LEU A 48 -5.337 -5.487 -0.536 1.00 0.00 C ATOM 640 CD1 LEU A 48 -5.963 -6.645 -1.317 1.00 0.00 C ATOM 641 CD2 LEU A 48 -3.816 -5.617 -0.440 1.00 0.00 C ATOM 0 H LEU A 48 -7.043 -3.776 1.053 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.538 -2.742 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.770 -4.206 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.123 -3.964 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.729 -5.535 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.663 -7.591 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.049 -6.558 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.623 -6.612 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.560 -6.584 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.381 -5.538 -1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.422 -4.821 0.192 1.00 0.00 H new ATOM 653 N ILE A 49 -5.425 -0.915 -1.531 1.00 0.00 N ATOM 654 CA ILE A 49 -5.886 0.323 -2.136 1.00 0.00 C ATOM 655 C ILE A 49 -6.976 0.010 -3.163 1.00 0.00 C ATOM 656 O ILE A 49 -6.677 -0.307 -4.314 1.00 0.00 O ATOM 657 CB ILE A 49 -4.706 1.109 -2.712 1.00 0.00 C ATOM 658 CG1 ILE A 49 -3.824 1.672 -1.595 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.189 2.202 -3.667 1.00 0.00 C ATOM 660 CD1 ILE A 49 -2.633 2.440 -2.171 1.00 0.00 C ATOM 0 H ILE A 49 -4.453 -1.152 -1.731 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.334 0.971 -1.383 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.090 0.423 -3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.414 2.332 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.466 0.858 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.331 2.745 -4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.741 1.748 -4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.840 2.892 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.023 2.829 -1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.032 1.771 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.995 3.268 -2.781 1.00 0.00 H new ATOM 672 N SER A 50 -8.217 0.109 -2.710 1.00 0.00 N ATOM 673 CA SER A 50 -9.353 -0.160 -3.575 1.00 0.00 C ATOM 674 C SER A 50 -9.301 0.749 -4.805 1.00 0.00 C ATOM 675 O SER A 50 -9.283 0.268 -5.937 1.00 0.00 O ATOM 676 CB SER A 50 -10.673 0.033 -2.827 1.00 0.00 C ATOM 677 OG SER A 50 -11.773 0.196 -3.718 1.00 0.00 O ATOM 0 H SER A 50 -8.461 0.372 -1.755 1.00 0.00 H new ATOM 0 HA SER A 50 -9.299 -1.200 -3.897 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.853 -0.827 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.598 0.907 -2.180 1.00 0.00 H new ATOM 0 HG SER A 50 -12.597 0.315 -3.202 1.00 0.00 H new ATOM 683 N TYR A 51 -9.280 2.047 -4.540 1.00 0.00 N ATOM 684 CA TYR A 51 -9.231 3.028 -5.611 1.00 0.00 C ATOM 685 C TYR A 51 -8.385 4.237 -5.209 1.00 0.00 C ATOM 686 O TYR A 51 -8.195 4.500 -4.022 1.00 0.00 O ATOM 687 CB TYR A 51 -10.675 3.483 -5.833 1.00 0.00 C ATOM 688 CG TYR A 51 -10.808 4.722 -6.720 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.655 4.611 -8.087 1.00 0.00 C ATOM 690 CD2 TYR A 51 -11.081 5.951 -6.154 1.00 0.00 C ATOM 691 CE1 TYR A 51 -10.780 5.778 -8.923 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.206 7.117 -6.989 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.050 6.973 -8.332 1.00 0.00 C ATOM 694 OH TYR A 51 -11.168 8.074 -9.121 1.00 0.00 O ATOM 0 H TYR A 51 -9.296 2.442 -3.600 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.786 2.595 -6.507 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.238 2.665 -6.283 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.132 3.691 -4.866 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.442 3.650 -8.530 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -11.201 6.038 -5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.662 5.706 -9.994 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.419 8.084 -6.558 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.362 8.856 -8.564 1.00 0.00 H new ATOM 704 N ILE A 52 -7.897 4.941 -6.220 1.00 0.00 N ATOM 705 CA ILE A 52 -7.075 6.116 -5.987 1.00 0.00 C ATOM 706 C ILE A 52 -7.691 7.316 -6.709 1.00 0.00 C ATOM 707 O ILE A 52 -7.680 7.378 -7.937 1.00 0.00 O ATOM 708 CB ILE A 52 -5.622 5.840 -6.381 1.00 0.00 C ATOM 709 CG1 ILE A 52 -5.063 4.643 -5.610 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.759 7.091 -6.202 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.878 4.019 -6.351 1.00 0.00 C ATOM 0 H ILE A 52 -8.055 4.720 -7.203 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.052 6.360 -4.925 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.598 5.581 -7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.748 4.961 -4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.845 3.896 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.731 6.868 -6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.146 7.893 -6.831 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.785 7.404 -5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.499 3.170 -5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.202 3.680 -7.335 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.088 4.761 -6.464 1.00 0.00 H new ATOM 723 N GLU A 53 -8.213 8.239 -5.916 1.00 0.00 N ATOM 724 CA GLU A 53 -8.833 9.434 -6.464 1.00 0.00 C ATOM 725 C GLU A 53 -7.900 10.097 -7.479 1.00 0.00 C ATOM 726 O GLU A 53 -6.685 9.909 -7.428 1.00 0.00 O ATOM 727 CB GLU A 53 -9.217 10.412 -5.352 1.00 0.00 C ATOM 728 CG GLU A 53 -10.724 10.380 -5.090 1.00 0.00 C ATOM 729 CD GLU A 53 -11.132 9.082 -4.391 1.00 0.00 C ATOM 730 OE1 GLU A 53 -10.211 8.312 -4.041 1.00 0.00 O ATOM 731 OE2 GLU A 53 -12.355 8.888 -4.223 1.00 0.00 O ATOM 0 H GLU A 53 -8.220 8.184 -4.898 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.749 9.142 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.680 10.158 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.914 11.421 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -11.008 11.233 -4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.263 10.474 -6.033 1.00 0.00 H new ATOM 738 N ALA A 54 -8.503 10.860 -8.379 1.00 0.00 N ATOM 739 CA ALA A 54 -7.742 11.552 -9.405 1.00 0.00 C ATOM 740 C ALA A 54 -7.348 12.939 -8.894 1.00 0.00 C ATOM 741 O ALA A 54 -7.867 13.400 -7.878 1.00 0.00 O ATOM 742 CB ALA A 54 -8.563 11.617 -10.694 1.00 0.00 C ATOM 0 H ALA A 54 -9.511 11.014 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.823 11.011 -9.631 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.992 12.136 -11.463 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.791 10.606 -11.032 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.492 12.155 -10.507 1.00 0.00 H new ATOM 748 N ASP A 55 -6.435 13.566 -9.621 1.00 0.00 N ATOM 749 CA ASP A 55 -5.966 14.891 -9.253 1.00 0.00 C ATOM 750 C ASP A 55 -5.610 14.907 -7.765 1.00 0.00 C ATOM 751 O ASP A 55 -5.628 15.960 -7.130 1.00 0.00 O ATOM 752 CB ASP A 55 -7.050 15.944 -9.491 1.00 0.00 C ATOM 753 CG ASP A 55 -6.575 17.212 -10.204 1.00 0.00 C ATOM 754 OD1 ASP A 55 -6.617 17.209 -11.453 1.00 0.00 O ATOM 755 OD2 ASP A 55 -6.181 18.154 -9.484 1.00 0.00 O ATOM 0 H ASP A 55 -6.007 13.181 -10.463 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.096 15.123 -9.867 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.850 15.493 -10.078 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.479 16.225 -8.529 1.00 0.00 H new ATOM 760 N SER A 56 -5.294 13.727 -7.253 1.00 0.00 N ATOM 761 CA SER A 56 -4.933 13.592 -5.852 1.00 0.00 C ATOM 762 C SER A 56 -3.419 13.419 -5.715 1.00 0.00 C ATOM 763 O SER A 56 -2.732 13.139 -6.695 1.00 0.00 O ATOM 764 CB SER A 56 -5.662 12.411 -5.207 1.00 0.00 C ATOM 765 OG SER A 56 -4.778 11.331 -4.918 1.00 0.00 O ATOM 0 H SER A 56 -5.280 12.856 -7.783 1.00 0.00 H new ATOM 0 HA SER A 56 -5.237 14.501 -5.332 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.144 12.741 -4.287 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.452 12.065 -5.874 1.00 0.00 H new ATOM 0 HG SER A 56 -4.865 11.080 -3.975 1.00 0.00 H new ATOM 771 N PRO A 57 -2.932 13.600 -4.458 1.00 0.00 N ATOM 772 CA PRO A 57 -1.511 13.467 -4.180 1.00 0.00 C ATOM 773 C PRO A 57 -1.089 11.997 -4.171 1.00 0.00 C ATOM 774 O PRO A 57 0.090 11.684 -4.330 1.00 0.00 O ATOM 775 CB PRO A 57 -1.307 14.152 -2.839 1.00 0.00 C ATOM 776 CG PRO A 57 -2.684 14.233 -2.199 1.00 0.00 C ATOM 777 CD PRO A 57 -3.716 13.933 -3.273 1.00 0.00 C ATOM 0 HA PRO A 57 -0.888 13.928 -4.946 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.618 13.586 -2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.878 15.145 -2.969 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.767 13.518 -1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.850 15.224 -1.776 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.363 13.106 -2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.361 14.793 -3.454 1.00 0.00 H new ATOM 785 N ALA A 58 -2.076 11.132 -3.982 1.00 0.00 N ATOM 786 CA ALA A 58 -1.821 9.702 -3.950 1.00 0.00 C ATOM 787 C ALA A 58 -1.546 9.205 -5.370 1.00 0.00 C ATOM 788 O ALA A 58 -0.861 8.201 -5.558 1.00 0.00 O ATOM 789 CB ALA A 58 -3.009 8.987 -3.302 1.00 0.00 C ATOM 0 H ALA A 58 -3.053 11.394 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.939 9.483 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.819 7.914 -3.278 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.144 9.355 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.911 9.182 -3.881 1.00 0.00 H new ATOM 795 N GLU A 59 -2.093 9.931 -6.334 1.00 0.00 N ATOM 796 CA GLU A 59 -1.915 9.577 -7.732 1.00 0.00 C ATOM 797 C GLU A 59 -0.728 10.339 -8.325 1.00 0.00 C ATOM 798 O GLU A 59 -0.125 9.894 -9.301 1.00 0.00 O ATOM 799 CB GLU A 59 -3.192 9.841 -8.532 1.00 0.00 C ATOM 800 CG GLU A 59 -3.167 9.092 -9.866 1.00 0.00 C ATOM 801 CD GLU A 59 -3.387 7.593 -9.657 1.00 0.00 C ATOM 802 OE1 GLU A 59 -2.418 6.931 -9.228 1.00 0.00 O ATOM 803 OE2 GLU A 59 -4.520 7.142 -9.932 1.00 0.00 O ATOM 0 H GLU A 59 -2.660 10.764 -6.174 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.703 8.509 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.060 9.529 -7.952 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.298 10.911 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.940 9.488 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.211 9.257 -10.362 1.00 0.00 H new ATOM 810 N ARG A 60 -0.428 11.474 -7.712 1.00 0.00 N ATOM 811 CA ARG A 60 0.675 12.302 -8.167 1.00 0.00 C ATOM 812 C ARG A 60 1.975 11.494 -8.181 1.00 0.00 C ATOM 813 O ARG A 60 2.658 11.429 -9.202 1.00 0.00 O ATOM 814 CB ARG A 60 0.854 13.526 -7.267 1.00 0.00 C ATOM 815 CG ARG A 60 0.265 14.778 -7.920 1.00 0.00 C ATOM 816 CD ARG A 60 1.292 15.912 -7.957 1.00 0.00 C ATOM 817 NE ARG A 60 0.601 17.221 -7.941 1.00 0.00 N ATOM 818 CZ ARG A 60 1.211 18.394 -8.161 1.00 0.00 C ATOM 819 NH1 ARG A 60 2.526 18.429 -8.414 1.00 0.00 N ATOM 820 NH2 ARG A 60 0.504 19.532 -8.127 1.00 0.00 N ATOM 0 H ARG A 60 -0.930 11.840 -6.903 1.00 0.00 H new ATOM 0 HA ARG A 60 0.441 12.639 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.369 13.350 -6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.914 13.681 -7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.061 14.545 -8.934 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.618 15.100 -7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.962 15.835 -7.101 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.908 15.827 -8.853 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.401 17.231 -7.751 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.064 17.563 -8.439 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.990 19.322 -8.581 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.497 19.505 -7.934 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.967 20.425 -8.294 1.00 0.00 H new ATOM 834 N CYS A 61 2.276 10.899 -7.037 1.00 0.00 N ATOM 835 CA CYS A 61 3.481 10.098 -6.904 1.00 0.00 C ATOM 836 C CYS A 61 3.404 8.945 -7.907 1.00 0.00 C ATOM 837 O CYS A 61 4.388 8.630 -8.573 1.00 0.00 O ATOM 838 CB CYS A 61 3.673 9.598 -5.471 1.00 0.00 C ATOM 839 SG CYS A 61 4.434 10.909 -4.447 1.00 0.00 S ATOM 0 H CYS A 61 1.706 10.955 -6.193 1.00 0.00 H new ATOM 0 HA CYS A 61 4.355 10.711 -7.124 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.712 9.306 -5.047 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.305 8.710 -5.469 1.00 0.00 H new ATOM 0 HG CYS A 61 4.590 10.475 -3.232 1.00 0.00 H new ATOM 845 N GLY A 62 2.224 8.346 -7.981 1.00 0.00 N ATOM 846 CA GLY A 62 2.005 7.234 -8.890 1.00 0.00 C ATOM 847 C GLY A 62 2.561 5.932 -8.308 1.00 0.00 C ATOM 848 O GLY A 62 2.373 4.861 -8.884 1.00 0.00 O ATOM 0 H GLY A 62 1.410 8.610 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.938 7.123 -9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.483 7.442 -9.847 1.00 0.00 H new ATOM 852 N VAL A 63 3.233 6.068 -7.175 1.00 0.00 N ATOM 853 CA VAL A 63 3.817 4.916 -6.509 1.00 0.00 C ATOM 854 C VAL A 63 2.699 4.042 -5.936 1.00 0.00 C ATOM 855 O VAL A 63 2.857 2.829 -5.811 1.00 0.00 O ATOM 856 CB VAL A 63 4.819 5.377 -5.448 1.00 0.00 C ATOM 857 CG1 VAL A 63 5.913 6.248 -6.069 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.111 6.114 -4.309 1.00 0.00 C ATOM 0 H VAL A 63 3.386 6.958 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 63 4.374 4.306 -7.220 1.00 0.00 H new ATOM 0 HB VAL A 63 5.295 4.491 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.612 6.562 -5.294 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.446 5.676 -6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.461 7.127 -6.528 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.846 6.431 -3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.596 6.988 -4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.387 5.448 -3.840 1.00 0.00 H new ATOM 868 N LEU A 64 1.594 4.694 -5.603 1.00 0.00 N ATOM 869 CA LEU A 64 0.450 3.992 -5.047 1.00 0.00 C ATOM 870 C LEU A 64 -0.359 3.362 -6.183 1.00 0.00 C ATOM 871 O LEU A 64 -1.053 4.063 -6.918 1.00 0.00 O ATOM 872 CB LEU A 64 -0.368 4.925 -4.153 1.00 0.00 C ATOM 873 CG LEU A 64 0.397 5.609 -3.018 1.00 0.00 C ATOM 874 CD1 LEU A 64 -0.398 6.787 -2.451 1.00 0.00 C ATOM 875 CD2 LEU A 64 0.782 4.602 -1.932 1.00 0.00 C ATOM 0 H LEU A 64 1.467 5.701 -5.708 1.00 0.00 H new ATOM 0 HA LEU A 64 0.780 3.178 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.815 5.697 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.188 4.353 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 64 1.323 6.013 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.169 7.255 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.578 7.517 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.352 6.429 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.325 5.114 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.120 4.147 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.416 3.827 -2.363 1.00 0.00 H new ATOM 887 N GLN A 65 -0.242 2.047 -6.291 1.00 0.00 N ATOM 888 CA GLN A 65 -0.954 1.316 -7.325 1.00 0.00 C ATOM 889 C GLN A 65 -2.255 0.736 -6.766 1.00 0.00 C ATOM 890 O GLN A 65 -2.341 0.427 -5.578 1.00 0.00 O ATOM 891 CB GLN A 65 -0.075 0.214 -7.921 1.00 0.00 C ATOM 892 CG GLN A 65 -0.774 -0.467 -9.100 1.00 0.00 C ATOM 893 CD GLN A 65 0.229 -0.827 -10.198 1.00 0.00 C ATOM 894 OE1 GLN A 65 0.756 0.023 -10.897 1.00 0.00 O ATOM 895 NE2 GLN A 65 0.463 -2.131 -10.310 1.00 0.00 N ATOM 0 H GLN A 65 0.335 1.469 -5.680 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.204 2.011 -8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.873 0.639 -8.252 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.157 -0.526 -7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -1.281 -1.368 -8.756 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -1.540 0.194 -9.505 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.012 -2.789 -9.693 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.118 -2.473 -11.013 1.00 0.00 H new ATOM 904 N ILE A 66 -3.236 0.608 -7.647 1.00 0.00 N ATOM 905 CA ILE A 66 -4.528 0.071 -7.256 1.00 0.00 C ATOM 906 C ILE A 66 -4.346 -1.352 -6.726 1.00 0.00 C ATOM 907 O ILE A 66 -3.829 -2.219 -7.429 1.00 0.00 O ATOM 908 CB ILE A 66 -5.523 0.173 -8.414 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.804 1.635 -8.769 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.807 -0.598 -8.103 1.00 0.00 C ATOM 911 CD1 ILE A 66 -6.951 2.193 -7.926 1.00 0.00 C ATOM 0 H ILE A 66 -3.162 0.867 -8.631 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.955 0.661 -6.445 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.073 -0.291 -9.292 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.906 2.231 -8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.053 1.715 -9.827 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.497 -0.509 -8.942 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.569 -1.649 -7.938 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.271 -0.186 -7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.130 3.233 -8.198 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.854 1.610 -8.108 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.688 2.134 -6.870 1.00 0.00 H new ATOM 923 N GLY A 67 -4.780 -1.549 -5.490 1.00 0.00 N ATOM 924 CA GLY A 67 -4.670 -2.852 -4.857 1.00 0.00 C ATOM 925 C GLY A 67 -3.241 -3.110 -4.375 1.00 0.00 C ATOM 926 O GLY A 67 -2.649 -4.139 -4.696 1.00 0.00 O ATOM 0 H GLY A 67 -5.209 -0.828 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.358 -2.909 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.965 -3.629 -5.562 1.00 0.00 H new ATOM 930 N ASP A 68 -2.728 -2.157 -3.610 1.00 0.00 N ATOM 931 CA ASP A 68 -1.380 -2.267 -3.080 1.00 0.00 C ATOM 932 C ASP A 68 -1.412 -3.074 -1.780 1.00 0.00 C ATOM 933 O ASP A 68 -2.465 -3.565 -1.376 1.00 0.00 O ATOM 934 CB ASP A 68 -0.797 -0.888 -2.766 1.00 0.00 C ATOM 935 CG ASP A 68 -0.322 -0.094 -3.984 1.00 0.00 C ATOM 936 OD1 ASP A 68 0.098 -0.751 -4.961 1.00 0.00 O ATOM 937 OD2 ASP A 68 -0.390 1.152 -3.911 1.00 0.00 O ATOM 0 H ASP A 68 -3.222 -1.305 -3.345 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.761 -2.757 -3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.552 -0.302 -2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.043 -1.012 -2.082 1.00 0.00 H new ATOM 942 N ARG A 69 -0.246 -3.186 -1.162 1.00 0.00 N ATOM 943 CA ARG A 69 -0.127 -3.925 0.084 1.00 0.00 C ATOM 944 C ARG A 69 0.491 -3.040 1.169 1.00 0.00 C ATOM 945 O ARG A 69 1.711 -2.998 1.320 1.00 0.00 O ATOM 946 CB ARG A 69 0.735 -5.175 -0.098 1.00 0.00 C ATOM 947 CG ARG A 69 1.802 -4.954 -1.172 1.00 0.00 C ATOM 948 CD ARG A 69 1.228 -5.188 -2.571 1.00 0.00 C ATOM 949 NE ARG A 69 2.281 -5.712 -3.469 1.00 0.00 N ATOM 950 CZ ARG A 69 3.179 -4.944 -4.102 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.157 -3.615 -3.940 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.099 -5.507 -4.898 1.00 0.00 N ATOM 0 H ARG A 69 0.625 -2.778 -1.500 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.129 -4.230 0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.213 -5.432 0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.104 -6.019 -0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.191 -3.938 -1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.640 -5.629 -1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.398 -5.893 -2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 69 0.829 -4.255 -2.970 1.00 0.00 H new ATOM 0 HE ARG A 69 2.326 -6.720 -3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.457 -3.187 -3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.841 -3.031 -4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.115 -6.519 -5.022 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.783 -4.923 -5.380 1.00 0.00 H new ATOM 966 N VAL A 70 -0.380 -2.356 1.896 1.00 0.00 N ATOM 967 CA VAL A 70 0.065 -1.475 2.963 1.00 0.00 C ATOM 968 C VAL A 70 0.328 -2.300 4.224 1.00 0.00 C ATOM 969 O VAL A 70 -0.607 -2.768 4.870 1.00 0.00 O ATOM 970 CB VAL A 70 -0.959 -0.359 3.181 1.00 0.00 C ATOM 971 CG1 VAL A 70 -2.207 -0.892 3.889 1.00 0.00 C ATOM 972 CG2 VAL A 70 -0.343 0.806 3.958 1.00 0.00 C ATOM 0 H VAL A 70 -1.391 -2.394 1.768 1.00 0.00 H new ATOM 0 HA VAL A 70 1.002 -0.989 2.691 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.262 0.014 2.203 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.919 -0.079 4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.665 -1.673 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.927 -1.304 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.092 1.585 4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.002 0.453 4.930 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.501 1.211 3.399 1.00 0.00 H new ATOM 982 N MET A 71 1.607 -2.454 4.535 1.00 0.00 N ATOM 983 CA MET A 71 2.005 -3.215 5.707 1.00 0.00 C ATOM 984 C MET A 71 1.738 -2.426 6.990 1.00 0.00 C ATOM 985 O MET A 71 1.470 -3.010 8.039 1.00 0.00 O ATOM 986 CB MET A 71 3.495 -3.552 5.616 1.00 0.00 C ATOM 987 CG MET A 71 3.873 -3.983 4.197 1.00 0.00 C ATOM 988 SD MET A 71 4.985 -5.378 4.260 1.00 0.00 S ATOM 989 CE MET A 71 3.994 -6.522 5.206 1.00 0.00 C ATOM 0 H MET A 71 2.381 -2.065 3.996 1.00 0.00 H new ATOM 0 HA MET A 71 1.417 -4.132 5.738 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.086 -2.684 5.906 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.735 -4.350 6.319 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.976 -4.247 3.637 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.345 -3.154 3.670 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.172 -7.537 4.852 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.264 -6.453 6.260 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.939 -6.276 5.085 1.00 0.00 H new ATOM 999 N ALA A 72 1.820 -1.109 6.865 1.00 0.00 N ATOM 1000 CA ALA A 72 1.590 -0.234 8.002 1.00 0.00 C ATOM 1001 C ALA A 72 1.155 1.144 7.499 1.00 0.00 C ATOM 1002 O ALA A 72 1.334 1.466 6.325 1.00 0.00 O ATOM 1003 CB ALA A 72 2.855 -0.169 8.860 1.00 0.00 C ATOM 0 H ALA A 72 2.042 -0.627 5.994 1.00 0.00 H new ATOM 0 HA ALA A 72 0.789 -0.623 8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.683 0.487 9.713 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.105 -1.168 9.216 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.680 0.221 8.263 1.00 0.00 H new ATOM 1009 N ILE A 73 0.592 1.922 8.412 1.00 0.00 N ATOM 1010 CA ILE A 73 0.131 3.258 8.076 1.00 0.00 C ATOM 1011 C ILE A 73 0.517 4.224 9.198 1.00 0.00 C ATOM 1012 O ILE A 73 -0.141 4.269 10.236 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.367 3.245 7.764 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -1.659 2.415 6.512 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -1.916 4.668 7.650 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.148 2.458 6.161 1.00 0.00 C ATOM 0 H ILE A 73 0.445 1.652 9.385 1.00 0.00 H new ATOM 0 HA ILE A 73 0.619 3.612 7.168 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.885 2.767 8.595 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.073 2.795 5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.350 1.383 6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.982 4.630 7.428 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.760 5.195 8.591 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.397 5.195 6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.329 1.860 5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.729 2.055 6.991 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.448 3.489 5.975 1.00 0.00 H new ATOM 1028 N ASN A 74 1.582 4.972 8.951 1.00 0.00 N ATOM 1029 CA ASN A 74 2.063 5.934 9.927 1.00 0.00 C ATOM 1030 C ASN A 74 2.739 5.190 11.080 1.00 0.00 C ATOM 1031 O ASN A 74 3.017 5.776 12.125 1.00 0.00 O ATOM 1032 CB ASN A 74 0.909 6.755 10.507 1.00 0.00 C ATOM 1033 CG ASN A 74 1.133 8.252 10.281 1.00 0.00 C ATOM 1034 OD1 ASN A 74 0.279 8.803 9.425 1.00 0.00 O flip ATOM 1035 ND2 ASN A 74 2.023 8.865 10.848 1.00 0.00 N flip ATOM 0 H ASN A 74 2.125 4.931 8.089 1.00 0.00 H new ATOM 0 HA ASN A 74 2.764 6.601 9.425 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.029 6.450 10.042 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.816 6.555 11.574 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.645 8.379 11.494 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.145 9.863 10.675 1.00 0.00 H new ATOM 1042 N GLY A 75 2.985 3.908 10.851 1.00 0.00 N ATOM 1043 CA GLY A 75 3.624 3.077 11.857 1.00 0.00 C ATOM 1044 C GLY A 75 2.647 2.037 12.411 1.00 0.00 C ATOM 1045 O GLY A 75 3.063 1.038 12.994 1.00 0.00 O ATOM 0 H GLY A 75 2.753 3.425 9.983 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.488 2.574 11.423 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.994 3.703 12.669 1.00 0.00 H new ATOM 1049 N ILE A 76 1.366 2.310 12.208 1.00 0.00 N ATOM 1050 CA ILE A 76 0.326 1.410 12.680 1.00 0.00 C ATOM 1051 C ILE A 76 0.426 0.083 11.926 1.00 0.00 C ATOM 1052 O ILE A 76 0.500 0.065 10.699 1.00 0.00 O ATOM 1053 CB ILE A 76 -1.047 2.076 12.573 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -1.212 3.167 13.633 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -2.167 1.037 12.641 1.00 0.00 C ATOM 1056 CD1 ILE A 76 -1.429 2.556 15.019 1.00 0.00 C ATOM 0 H ILE A 76 1.025 3.140 11.724 1.00 0.00 H new ATOM 0 HA ILE A 76 0.465 1.187 13.738 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.116 2.561 11.599 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.327 3.803 13.646 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.058 3.804 13.376 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.132 1.537 12.563 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.057 0.329 11.819 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.111 0.503 13.590 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.543 3.353 15.754 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.328 1.940 15.008 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.570 1.939 15.283 1.00 0.00 H new ATOM 1068 N PRO A 77 0.425 -1.026 12.713 1.00 0.00 N ATOM 1069 CA PRO A 77 0.515 -2.356 12.134 1.00 0.00 C ATOM 1070 C PRO A 77 -0.813 -2.766 11.495 1.00 0.00 C ATOM 1071 O PRO A 77 -1.772 -3.083 12.197 1.00 0.00 O ATOM 1072 CB PRO A 77 0.925 -3.260 13.285 1.00 0.00 C ATOM 1073 CG PRO A 77 0.599 -2.492 14.555 1.00 0.00 C ATOM 1074 CD PRO A 77 0.340 -1.044 14.171 1.00 0.00 C ATOM 0 HA PRO A 77 1.241 -2.414 11.323 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.384 -4.206 13.251 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.987 -3.499 13.235 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.276 -2.919 15.045 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.425 -2.557 15.263 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.640 -0.712 14.515 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.077 -0.378 14.619 1.00 0.00 H new ATOM 1082 N THR A 78 -0.827 -2.747 10.170 1.00 0.00 N ATOM 1083 CA THR A 78 -2.022 -3.113 9.429 1.00 0.00 C ATOM 1084 C THR A 78 -1.993 -4.600 9.072 1.00 0.00 C ATOM 1085 O THR A 78 -1.485 -4.979 8.018 1.00 0.00 O ATOM 1086 CB THR A 78 -2.120 -2.196 8.208 1.00 0.00 C ATOM 1087 OG1 THR A 78 -0.777 -2.091 7.743 1.00 0.00 O ATOM 1088 CG2 THR A 78 -2.498 -0.761 8.581 1.00 0.00 C ATOM 0 H THR A 78 -0.030 -2.484 9.591 1.00 0.00 H new ATOM 0 HA THR A 78 -2.920 -2.973 10.031 1.00 0.00 H new ATOM 0 HB THR A 78 -2.858 -2.597 7.513 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.316 -2.945 7.880 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.554 -0.153 7.678 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.467 -0.758 9.081 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.743 -0.348 9.250 1.00 0.00 H new ATOM 1096 N GLU A 79 -2.545 -5.402 9.970 1.00 0.00 N ATOM 1097 CA GLU A 79 -2.590 -6.840 9.762 1.00 0.00 C ATOM 1098 C GLU A 79 -3.369 -7.515 10.893 1.00 0.00 C ATOM 1099 O GLU A 79 -2.989 -8.590 11.357 1.00 0.00 O ATOM 1100 CB GLU A 79 -1.179 -7.420 9.645 1.00 0.00 C ATOM 1101 CG GLU A 79 -0.382 -7.187 10.931 1.00 0.00 C ATOM 1102 CD GLU A 79 1.047 -6.738 10.616 1.00 0.00 C ATOM 1103 OE1 GLU A 79 1.672 -7.396 9.757 1.00 0.00 O ATOM 1104 OE2 GLU A 79 1.481 -5.747 11.242 1.00 0.00 O ATOM 0 H GLU A 79 -2.965 -5.084 10.843 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.107 -7.037 8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.237 -8.488 9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.661 -6.960 8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.879 -6.431 11.539 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.358 -8.104 11.519 1.00 0.00 H new ATOM 1111 N ASP A 80 -4.444 -6.858 11.303 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.279 -7.382 12.369 1.00 0.00 C ATOM 1113 C ASP A 80 -6.442 -6.420 12.620 1.00 0.00 C ATOM 1114 O ASP A 80 -7.582 -6.849 12.793 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.489 -7.517 13.672 1.00 0.00 C ATOM 1116 CG ASP A 80 -5.217 -8.256 14.797 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -5.490 -9.460 14.601 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -5.484 -7.600 15.827 1.00 0.00 O ATOM 0 H ASP A 80 -4.756 -5.967 10.916 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.640 -8.364 12.062 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.555 -8.038 13.461 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.225 -6.520 14.024 1.00 0.00 H new ATOM 1123 N SER A 81 -6.115 -5.136 12.630 1.00 0.00 N ATOM 1124 CA SER A 81 -7.118 -4.109 12.856 1.00 0.00 C ATOM 1125 C SER A 81 -8.260 -4.263 11.849 1.00 0.00 C ATOM 1126 O SER A 81 -8.265 -5.197 11.049 1.00 0.00 O ATOM 1127 CB SER A 81 -6.506 -2.710 12.755 1.00 0.00 C ATOM 1128 OG SER A 81 -5.281 -2.714 12.028 1.00 0.00 O ATOM 0 H SER A 81 -5.169 -4.783 12.485 1.00 0.00 H new ATOM 0 HA SER A 81 -7.512 -4.232 13.865 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.214 -2.039 12.269 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.332 -2.317 13.757 1.00 0.00 H new ATOM 0 HG SER A 81 -4.923 -1.803 11.985 1.00 0.00 H new ATOM 1134 N THR A 82 -9.199 -3.332 11.922 1.00 0.00 N ATOM 1135 CA THR A 82 -10.344 -3.352 11.027 1.00 0.00 C ATOM 1136 C THR A 82 -10.184 -2.295 9.933 1.00 0.00 C ATOM 1137 O THR A 82 -9.554 -1.261 10.151 1.00 0.00 O ATOM 1138 CB THR A 82 -11.607 -3.167 11.871 1.00 0.00 C ATOM 1139 OG1 THR A 82 -11.642 -1.769 12.142 1.00 0.00 O ATOM 1140 CG2 THR A 82 -11.487 -3.812 13.253 1.00 0.00 C ATOM 0 H THR A 82 -9.191 -2.559 12.587 1.00 0.00 H new ATOM 0 HA THR A 82 -10.421 -4.306 10.505 1.00 0.00 H new ATOM 0 HB THR A 82 -12.461 -3.593 11.345 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.431 -1.561 12.684 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.410 -3.652 13.811 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.312 -4.882 13.141 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.654 -3.363 13.793 1.00 0.00 H new ATOM 1148 N PHE A 83 -10.765 -2.591 8.780 1.00 0.00 N ATOM 1149 CA PHE A 83 -10.695 -1.679 7.651 1.00 0.00 C ATOM 1150 C PHE A 83 -10.989 -0.242 8.087 1.00 0.00 C ATOM 1151 O PHE A 83 -10.407 0.703 7.558 1.00 0.00 O ATOM 1152 CB PHE A 83 -11.763 -2.123 6.649 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.268 -1.002 5.739 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -13.322 -0.235 6.125 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -11.661 -0.773 4.543 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.790 0.805 5.279 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.129 0.268 3.698 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.184 1.035 4.084 1.00 0.00 C ATOM 0 H PHE A 83 -11.286 -3.450 8.603 1.00 0.00 H new ATOM 0 HA PHE A 83 -9.695 -1.702 7.217 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.356 -2.923 6.031 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.608 -2.541 7.196 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.803 -0.417 7.075 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.824 -1.383 4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.628 1.414 5.585 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -11.647 0.451 2.749 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.540 1.827 3.441 1.00 0.00 H new ATOM 1168 N GLU A 84 -11.893 -0.123 9.049 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.271 1.182 9.563 1.00 0.00 C ATOM 1170 C GLU A 84 -11.049 1.900 10.141 1.00 0.00 C ATOM 1171 O GLU A 84 -10.919 3.116 10.009 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.380 1.059 10.610 1.00 0.00 C ATOM 1173 CG GLU A 84 -14.733 1.469 10.026 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.834 1.393 11.086 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -16.039 0.278 11.611 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -16.445 2.452 11.346 1.00 0.00 O ATOM 0 H GLU A 84 -12.374 -0.909 9.486 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.661 1.777 8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.432 0.032 10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.145 1.687 11.469 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.671 2.484 9.633 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.984 0.818 9.189 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.184 1.116 10.768 1.00 0.00 N ATOM 1184 CA GLU A 85 -8.977 1.661 11.366 1.00 0.00 C ATOM 1185 C GLU A 85 -8.175 2.443 10.323 1.00 0.00 C ATOM 1186 O GLU A 85 -8.051 3.664 10.418 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.128 0.555 11.994 1.00 0.00 C ATOM 1188 CG GLU A 85 -7.758 0.900 13.437 1.00 0.00 C ATOM 1189 CD GLU A 85 -6.418 1.637 13.499 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -5.408 1.010 13.112 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -6.435 2.809 13.931 1.00 0.00 O ATOM 0 H GLU A 85 -10.295 0.108 10.875 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.267 2.346 12.162 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.676 -0.387 11.971 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.221 0.410 11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.539 1.520 13.878 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.703 -0.013 14.030 1.00 0.00 H new ATOM 1198 N ALA A 86 -7.651 1.709 9.353 1.00 0.00 N ATOM 1199 CA ALA A 86 -6.864 2.318 8.295 1.00 0.00 C ATOM 1200 C ALA A 86 -7.515 3.638 7.877 1.00 0.00 C ATOM 1201 O ALA A 86 -6.845 4.666 7.795 1.00 0.00 O ATOM 1202 CB ALA A 86 -6.732 1.338 7.128 1.00 0.00 C ATOM 0 H ALA A 86 -7.756 0.697 9.278 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.857 2.543 8.647 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.141 1.795 6.334 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.238 0.429 7.470 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -7.723 1.091 6.747 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.814 3.566 7.623 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.563 4.743 7.215 1.00 0.00 C ATOM 1210 C ASN A 87 -9.369 5.850 8.253 1.00 0.00 C ATOM 1211 O ASN A 87 -9.093 6.995 7.899 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.059 4.438 7.122 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.698 5.178 5.945 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -12.242 6.261 6.081 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -11.600 4.536 4.785 1.00 0.00 N ATOM 0 H ASN A 87 -9.367 2.711 7.692 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.197 5.054 6.236 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.208 3.365 7.005 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.551 4.729 8.050 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.994 4.948 3.939 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -11.131 3.631 4.741 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.522 5.469 9.513 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.367 6.416 10.604 1.00 0.00 C ATOM 1224 C GLN A 88 -7.978 7.055 10.560 1.00 0.00 C ATOM 1225 O GLN A 88 -7.841 8.265 10.731 1.00 0.00 O ATOM 1226 CB GLN A 88 -9.618 5.742 11.954 1.00 0.00 C ATOM 1227 CG GLN A 88 -10.942 6.209 12.563 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.086 5.270 12.173 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.639 4.552 12.990 1.00 0.00 O ATOM 1230 NE2 GLN A 88 -12.408 5.315 10.884 1.00 0.00 N ATOM 0 H GLN A 88 -9.751 4.518 9.802 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.111 7.204 10.484 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.634 4.660 11.827 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.799 5.970 12.636 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.853 6.249 13.649 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.165 7.221 12.224 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.904 5.939 10.254 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.159 4.725 10.525 1.00 0.00 H new ATOM 1239 N LEU A 89 -6.981 6.212 10.330 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.607 6.679 10.262 1.00 0.00 C ATOM 1241 C LEU A 89 -5.537 7.913 9.360 1.00 0.00 C ATOM 1242 O LEU A 89 -5.108 8.981 9.795 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.677 5.546 9.826 1.00 0.00 C ATOM 1244 CG LEU A 89 -4.783 4.246 10.627 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.578 3.341 10.364 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -4.969 4.534 12.118 1.00 0.00 C ATOM 0 H LEU A 89 -7.098 5.209 10.188 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.259 6.984 11.249 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.877 5.321 8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.649 5.903 9.885 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.669 3.708 10.290 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.678 2.424 10.945 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.532 3.095 9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.664 3.858 10.656 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.042 3.593 12.664 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.116 5.103 12.488 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.882 5.111 12.266 1.00 0.00 H new ATOM 1258 N LEU A 90 -5.964 7.726 8.120 1.00 0.00 N ATOM 1259 CA LEU A 90 -5.955 8.810 7.153 1.00 0.00 C ATOM 1260 C LEU A 90 -6.612 10.045 7.772 1.00 0.00 C ATOM 1261 O LEU A 90 -6.000 11.110 7.841 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.602 8.363 5.840 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.848 7.289 5.053 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -6.375 7.189 3.620 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -4.339 7.538 5.093 1.00 0.00 C ATOM 0 H LEU A 90 -6.319 6.839 7.763 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.931 9.085 6.900 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.602 7.990 6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.721 9.238 5.200 1.00 0.00 H new ATOM 0 HG LEU A 90 -6.028 6.326 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.822 6.419 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.434 6.930 3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.245 8.147 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.827 6.761 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.119 8.511 4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.995 7.520 6.127 1.00 0.00 H new ATOM 1277 N ARG A 91 -7.850 9.863 8.208 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.596 10.949 8.819 1.00 0.00 C ATOM 1279 C ARG A 91 -7.751 11.634 9.895 1.00 0.00 C ATOM 1280 O ARG A 91 -7.964 12.806 10.204 1.00 0.00 O ATOM 1281 CB ARG A 91 -9.894 10.439 9.449 1.00 0.00 C ATOM 1282 CG ARG A 91 -10.922 10.081 8.373 1.00 0.00 C ATOM 1283 CD ARG A 91 -12.304 10.631 8.730 1.00 0.00 C ATOM 1284 NE ARG A 91 -12.744 11.601 7.702 1.00 0.00 N ATOM 1285 CZ ARG A 91 -12.396 12.895 7.692 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -11.602 13.382 8.655 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -12.843 13.701 6.720 1.00 0.00 N ATOM 0 H ARG A 91 -8.355 8.979 8.150 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.842 11.665 8.035 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.685 9.563 10.063 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.305 11.201 10.111 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.603 10.485 7.412 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.975 8.998 8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.022 9.814 8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.271 11.114 9.707 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.350 11.263 6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.263 12.768 9.395 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.337 14.367 8.648 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.448 13.330 5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.578 14.686 6.712 1.00 0.00 H new ATOM 1301 N ASP A 92 -6.809 10.875 10.435 1.00 0.00 N ATOM 1302 CA ASP A 92 -5.931 11.395 11.469 1.00 0.00 C ATOM 1303 C ASP A 92 -4.712 12.050 10.816 1.00 0.00 C ATOM 1304 O ASP A 92 -4.334 13.164 11.175 1.00 0.00 O ATOM 1305 CB ASP A 92 -5.432 10.274 12.383 1.00 0.00 C ATOM 1306 CG ASP A 92 -5.145 10.694 13.825 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -4.943 11.910 14.032 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -5.133 9.790 14.689 1.00 0.00 O ATOM 0 H ASP A 92 -6.635 9.904 10.176 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.496 12.117 12.059 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.175 9.477 12.394 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.522 9.855 11.955 1.00 0.00 H new ATOM 1313 N SER A 93 -4.131 11.330 9.867 1.00 0.00 N ATOM 1314 CA SER A 93 -2.963 11.827 9.160 1.00 0.00 C ATOM 1315 C SER A 93 -3.234 13.236 8.628 1.00 0.00 C ATOM 1316 O SER A 93 -2.305 14.016 8.425 1.00 0.00 O ATOM 1317 CB SER A 93 -2.575 10.892 8.013 1.00 0.00 C ATOM 1318 OG SER A 93 -2.423 9.545 8.450 1.00 0.00 O ATOM 0 H SER A 93 -4.448 10.406 9.571 1.00 0.00 H new ATOM 0 HA SER A 93 -2.129 11.864 9.861 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.337 10.937 7.235 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.642 11.235 7.565 1.00 0.00 H new ATOM 0 HG SER A 93 -1.501 9.400 8.749 1.00 0.00 H new ATOM 1324 N SER A 94 -4.511 13.520 8.418 1.00 0.00 N ATOM 1325 CA SER A 94 -4.916 14.821 7.914 1.00 0.00 C ATOM 1326 C SER A 94 -4.437 15.921 8.863 1.00 0.00 C ATOM 1327 O SER A 94 -4.096 17.019 8.425 1.00 0.00 O ATOM 1328 CB SER A 94 -6.433 14.895 7.737 1.00 0.00 C ATOM 1329 OG SER A 94 -6.827 16.037 6.981 1.00 0.00 O ATOM 0 H SER A 94 -5.279 12.871 8.588 1.00 0.00 H new ATOM 0 HA SER A 94 -4.457 14.968 6.937 1.00 0.00 H new ATOM 0 HB2 SER A 94 -6.784 13.991 7.239 1.00 0.00 H new ATOM 0 HB3 SER A 94 -6.911 14.926 8.716 1.00 0.00 H new ATOM 0 HG SER A 94 -7.803 16.048 6.889 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.428 15.590 10.146 1.00 0.00 N ATOM 1336 CA ILE A 95 -3.997 16.537 11.161 1.00 0.00 C ATOM 1337 C ILE A 95 -2.664 17.157 10.739 1.00 0.00 C ATOM 1338 O ILE A 95 -2.608 18.332 10.379 1.00 0.00 O ATOM 1339 CB ILE A 95 -3.957 15.867 12.536 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.362 15.752 13.131 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -2.995 16.598 13.474 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.439 14.602 14.137 1.00 0.00 C ATOM 0 H ILE A 95 -4.712 14.679 10.506 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.714 17.353 11.251 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.577 14.853 12.411 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.631 16.688 13.622 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.087 15.591 12.333 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.985 16.102 14.444 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.991 16.584 13.049 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.322 17.630 13.598 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.448 14.542 14.545 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.193 13.665 13.638 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.730 14.778 14.946 1.00 0.00 H new ATOM 1354 N THR A 96 -1.623 16.340 10.799 1.00 0.00 N ATOM 1355 CA THR A 96 -0.293 16.795 10.428 1.00 0.00 C ATOM 1356 C THR A 96 -0.247 17.153 8.941 1.00 0.00 C ATOM 1357 O THR A 96 0.717 17.756 8.474 1.00 0.00 O ATOM 1358 CB THR A 96 0.706 15.705 10.822 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.959 16.196 10.354 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.498 14.408 10.036 1.00 0.00 C ATOM 0 H THR A 96 -1.673 15.366 11.099 1.00 0.00 H new ATOM 0 HA THR A 96 -0.025 17.709 10.958 1.00 0.00 H new ATOM 0 HB THR A 96 0.618 15.501 11.889 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.822 16.711 9.532 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.232 13.668 10.354 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.506 14.026 10.223 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.619 14.605 8.971 1.00 0.00 H new ATOM 1368 N SER A 97 -1.302 16.765 8.239 1.00 0.00 N ATOM 1369 CA SER A 97 -1.394 17.037 6.815 1.00 0.00 C ATOM 1370 C SER A 97 -0.395 16.167 6.050 1.00 0.00 C ATOM 1371 O SER A 97 0.037 16.527 4.956 1.00 0.00 O ATOM 1372 CB SER A 97 -1.143 18.517 6.520 1.00 0.00 C ATOM 1373 OG SER A 97 -2.329 19.186 6.099 1.00 0.00 O ATOM 0 H SER A 97 -2.100 16.265 8.630 1.00 0.00 H new ATOM 0 HA SER A 97 -2.404 16.794 6.485 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.750 19.003 7.413 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.381 18.608 5.746 1.00 0.00 H new ATOM 0 HG SER A 97 -2.128 20.129 5.922 1.00 0.00 H new ATOM 1379 N LYS A 98 -0.056 15.038 6.656 1.00 0.00 N ATOM 1380 CA LYS A 98 0.884 14.114 6.045 1.00 0.00 C ATOM 1381 C LYS A 98 0.561 12.689 6.501 1.00 0.00 C ATOM 1382 O LYS A 98 0.308 12.454 7.682 1.00 0.00 O ATOM 1383 CB LYS A 98 2.323 14.542 6.339 1.00 0.00 C ATOM 1384 CG LYS A 98 3.238 14.242 5.149 1.00 0.00 C ATOM 1385 CD LYS A 98 4.508 15.093 5.206 1.00 0.00 C ATOM 1386 CE LYS A 98 4.709 15.865 3.900 1.00 0.00 C ATOM 1387 NZ LYS A 98 6.151 16.004 3.597 1.00 0.00 N ATOM 0 H LYS A 98 -0.416 14.743 7.564 1.00 0.00 H new ATOM 0 HA LYS A 98 0.786 14.132 4.960 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.350 15.608 6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.688 14.020 7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.504 13.185 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.706 14.438 4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.445 15.792 6.040 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.371 14.453 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.208 15.346 3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.251 16.851 3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.364 16.996 3.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.709 15.713 4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.395 15.401 2.785 1.00 0.00 H new ATOM 1401 N VAL A 99 0.580 11.777 5.541 1.00 0.00 N ATOM 1402 CA VAL A 99 0.292 10.382 5.829 1.00 0.00 C ATOM 1403 C VAL A 99 1.463 9.516 5.359 1.00 0.00 C ATOM 1404 O VAL A 99 2.079 9.803 4.334 1.00 0.00 O ATOM 1405 CB VAL A 99 -1.041 9.980 5.194 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -0.999 10.158 3.675 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.416 8.545 5.568 1.00 0.00 C ATOM 0 H VAL A 99 0.790 11.976 4.563 1.00 0.00 H new ATOM 0 HA VAL A 99 0.184 10.229 6.903 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.813 10.641 5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.958 9.866 3.248 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.799 11.203 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.210 9.533 3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.367 8.285 5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.642 7.863 5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.506 8.463 6.651 1.00 0.00 H new ATOM 1417 N THR A 100 1.735 8.474 6.132 1.00 0.00 N ATOM 1418 CA THR A 100 2.821 7.565 5.807 1.00 0.00 C ATOM 1419 C THR A 100 2.283 6.152 5.578 1.00 0.00 C ATOM 1420 O THR A 100 1.892 5.472 6.525 1.00 0.00 O ATOM 1421 CB THR A 100 3.857 7.647 6.930 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.782 8.632 6.479 1.00 0.00 O ATOM 1423 CG2 THR A 100 4.697 6.373 7.045 1.00 0.00 C ATOM 0 H THR A 100 1.222 8.239 6.982 1.00 0.00 H new ATOM 0 HA THR A 100 3.309 7.848 4.874 1.00 0.00 H new ATOM 0 HB THR A 100 3.351 7.836 7.877 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.393 8.865 7.209 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.416 6.483 7.856 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.045 5.524 7.251 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.229 6.202 6.109 1.00 0.00 H new ATOM 1431 N LEU A 101 2.280 5.752 4.315 1.00 0.00 N ATOM 1432 CA LEU A 101 1.797 4.431 3.949 1.00 0.00 C ATOM 1433 C LEU A 101 2.990 3.515 3.669 1.00 0.00 C ATOM 1434 O LEU A 101 3.807 3.805 2.796 1.00 0.00 O ATOM 1435 CB LEU A 101 0.807 4.526 2.786 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.368 5.485 2.982 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -1.006 5.297 4.360 1.00 0.00 C ATOM 1438 CD2 LEU A 101 0.060 6.934 2.742 1.00 0.00 C ATOM 0 H LEU A 101 2.604 6.319 3.532 1.00 0.00 H new ATOM 0 HA LEU A 101 1.241 3.986 4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.354 4.831 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.409 3.530 2.592 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.130 5.247 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.839 5.991 4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.370 4.274 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.264 5.492 5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.795 7.595 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.850 7.201 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.430 7.040 1.722 1.00 0.00 H new ATOM 1450 N GLU A 102 3.052 2.429 4.425 1.00 0.00 N ATOM 1451 CA GLU A 102 4.131 1.469 4.268 1.00 0.00 C ATOM 1452 C GLU A 102 3.724 0.368 3.287 1.00 0.00 C ATOM 1453 O GLU A 102 2.909 -0.492 3.616 1.00 0.00 O ATOM 1454 CB GLU A 102 4.538 0.876 5.619 1.00 0.00 C ATOM 1455 CG GLU A 102 5.646 -0.165 5.450 1.00 0.00 C ATOM 1456 CD GLU A 102 6.185 -0.618 6.808 1.00 0.00 C ATOM 1457 OE1 GLU A 102 6.887 0.200 7.441 1.00 0.00 O ATOM 1458 OE2 GLU A 102 5.884 -1.772 7.182 1.00 0.00 O ATOM 0 H GLU A 102 2.372 2.193 5.148 1.00 0.00 H new ATOM 0 HA GLU A 102 4.998 1.990 3.860 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.880 1.672 6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.671 0.416 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.261 -1.025 4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.457 0.255 4.855 1.00 0.00 H new ATOM 1465 N ILE A 103 4.311 0.431 2.100 1.00 0.00 N ATOM 1466 CA ILE A 103 4.020 -0.550 1.069 1.00 0.00 C ATOM 1467 C ILE A 103 5.162 -1.567 1.001 1.00 0.00 C ATOM 1468 O ILE A 103 6.227 -1.348 1.575 1.00 0.00 O ATOM 1469 CB ILE A 103 3.734 0.144 -0.265 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.644 1.205 -0.108 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.389 -0.877 -1.351 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.270 0.557 0.078 1.00 0.00 C ATOM 0 H ILE A 103 4.986 1.146 1.830 1.00 0.00 H new ATOM 0 HA ILE A 103 3.114 -1.104 1.315 1.00 0.00 H new ATOM 0 HB ILE A 103 4.640 0.659 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.870 1.839 0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.630 1.850 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.190 -0.358 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.226 -1.562 -1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.504 -1.440 -1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.513 1.334 0.187 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.037 -0.057 -0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.280 -0.068 0.971 1.00 0.00 H new ATOM 1484 N GLU A 104 4.900 -2.656 0.293 1.00 0.00 N ATOM 1485 CA GLU A 104 5.893 -3.706 0.143 1.00 0.00 C ATOM 1486 C GLU A 104 5.803 -4.325 -1.254 1.00 0.00 C ATOM 1487 O GLU A 104 4.732 -4.755 -1.679 1.00 0.00 O ATOM 1488 CB GLU A 104 5.730 -4.774 1.226 1.00 0.00 C ATOM 1489 CG GLU A 104 6.378 -6.092 0.800 1.00 0.00 C ATOM 1490 CD GLU A 104 6.891 -6.869 2.014 1.00 0.00 C ATOM 1491 OE1 GLU A 104 8.040 -6.592 2.422 1.00 0.00 O ATOM 1492 OE2 GLU A 104 6.123 -7.723 2.507 1.00 0.00 O ATOM 0 H GLU A 104 4.015 -2.834 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 104 6.882 -3.263 0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.182 -4.426 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.671 -4.934 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.654 -6.698 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.203 -5.891 0.117 1.00 0.00 H new ATOM 1499 N PHE A 105 6.943 -4.349 -1.930 1.00 0.00 N ATOM 1500 CA PHE A 105 7.006 -4.908 -3.269 1.00 0.00 C ATOM 1501 C PHE A 105 8.118 -5.954 -3.375 1.00 0.00 C ATOM 1502 O PHE A 105 8.827 -6.212 -2.404 1.00 0.00 O ATOM 1503 CB PHE A 105 7.318 -3.752 -4.222 1.00 0.00 C ATOM 1504 CG PHE A 105 8.510 -2.895 -3.791 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.392 -2.049 -2.733 1.00 0.00 C ATOM 1506 CD2 PHE A 105 9.687 -2.979 -4.466 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.498 -1.254 -2.333 1.00 0.00 C ATOM 1508 CE2 PHE A 105 10.794 -2.184 -4.067 1.00 0.00 C ATOM 1509 CZ PHE A 105 10.676 -1.338 -3.008 1.00 0.00 C ATOM 0 H PHE A 105 7.829 -3.990 -1.575 1.00 0.00 H new ATOM 0 HA PHE A 105 6.062 -5.394 -3.514 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.514 -4.156 -5.215 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.437 -3.115 -4.305 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.457 -1.982 -2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 105 9.780 -3.651 -5.306 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.404 -0.582 -1.493 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.729 -2.251 -4.604 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.517 -0.733 -2.703 1.00 0.00 H new ATOM 1519 N ASP A 106 8.235 -6.528 -4.563 1.00 0.00 N ATOM 1520 CA ASP A 106 9.249 -7.540 -4.809 1.00 0.00 C ATOM 1521 C ASP A 106 10.499 -6.874 -5.388 1.00 0.00 C ATOM 1522 O ASP A 106 10.398 -5.928 -6.167 1.00 0.00 O ATOM 1523 CB ASP A 106 8.756 -8.579 -5.818 1.00 0.00 C ATOM 1524 CG ASP A 106 8.036 -8.004 -7.039 1.00 0.00 C ATOM 1525 OD1 ASP A 106 8.744 -7.448 -7.906 1.00 0.00 O ATOM 1526 OD2 ASP A 106 6.793 -8.134 -7.078 1.00 0.00 O ATOM 0 H ASP A 106 7.645 -6.312 -5.366 1.00 0.00 H new ATOM 0 HA ASP A 106 9.470 -8.033 -3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 106 9.609 -9.164 -6.161 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.082 -9.267 -5.308 1.00 0.00 H new