USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 618 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 12 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 38:sc= 0.761 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 61:sc= 0.487 USER MOD Single : A 19 SER OG : rot 60:sc= -3.16! USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -129:sc= -2.98 (180deg=-6.58!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00278 USER MOD Single : A 54 SER OG : rot -62:sc= -0.841 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0153 USER MOD Single : A 59 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.3!) USER MOD Single : A 65 ASN : amide:sc= -0.0159 X(o=-0.016,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.773 K(o=-0.77,f=-2.4!) USER MOD Single : A 69 THR OG1 : rot 100:sc= -1.18 USER MOD Single : A 72 ASN : amide:sc= -0.362 K(o=-0.36,f=-2.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -14.2! C(o=-14!,f=-14!) USER MOD Single : A 79 SER OG : rot 180:sc=-0.00957 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -11.536 -15.421 2.502 1.00 0.00 N ATOM 93 CA SER A 9 -10.522 -14.742 3.291 1.00 0.00 C ATOM 94 C SER A 9 -9.825 -13.676 2.443 1.00 0.00 C ATOM 95 O SER A 9 -8.953 -13.993 1.636 1.00 0.00 O ATOM 96 CB SER A 9 -9.498 -15.734 3.843 1.00 0.00 C ATOM 97 OG SER A 9 -8.826 -16.442 2.805 1.00 0.00 O ATOM 0 HA SER A 9 -11.013 -14.260 4.136 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.767 -15.200 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.999 -16.444 4.500 1.00 0.00 H new ATOM 0 HG SER A 9 -8.662 -15.838 2.051 1.00 0.00 H new ATOM 103 N LYS A 10 -10.237 -12.435 2.654 1.00 0.00 N ATOM 104 CA LYS A 10 -9.663 -11.321 1.919 1.00 0.00 C ATOM 105 C LYS A 10 -9.308 -10.198 2.897 1.00 0.00 C ATOM 106 O LYS A 10 -9.648 -10.268 4.077 1.00 0.00 O ATOM 107 CB LYS A 10 -10.601 -10.882 0.793 1.00 0.00 C ATOM 108 CG LYS A 10 -10.407 -11.750 -0.452 1.00 0.00 C ATOM 109 CD LYS A 10 -10.800 -10.988 -1.719 1.00 0.00 C ATOM 110 CE LYS A 10 -10.355 -11.743 -2.973 1.00 0.00 C ATOM 111 NZ LYS A 10 -11.388 -12.722 -3.382 1.00 0.00 N ATOM 0 H LYS A 10 -10.962 -12.176 3.324 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.736 -11.624 1.431 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.636 -10.949 1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.413 -9.837 0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.366 -12.065 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.009 -12.655 -0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.880 -10.844 -1.741 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.347 -9.997 -1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.172 -11.038 -3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.414 -12.258 -2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.070 -13.226 -4.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.542 -13.405 -2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.278 -12.223 -3.586 1.00 0.00 H new ATOM 125 N VAL A 11 -8.630 -9.190 2.369 1.00 0.00 N ATOM 126 CA VAL A 11 -8.226 -8.054 3.181 1.00 0.00 C ATOM 127 C VAL A 11 -8.242 -6.788 2.322 1.00 0.00 C ATOM 128 O VAL A 11 -7.642 -6.753 1.249 1.00 0.00 O ATOM 129 CB VAL A 11 -6.862 -8.326 3.819 1.00 0.00 C ATOM 130 CG1 VAL A 11 -6.960 -9.435 4.869 1.00 0.00 C ATOM 131 CG2 VAL A 11 -5.817 -8.668 2.755 1.00 0.00 C ATOM 0 H VAL A 11 -8.350 -9.136 1.390 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.929 -7.900 4.000 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.540 -7.415 4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.977 -9.609 5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.658 -9.135 5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.315 -10.352 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.857 -8.857 3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.131 -9.558 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.718 -7.833 2.061 1.00 0.00 H new ATOM 141 N SER A 12 -8.936 -5.778 2.827 1.00 0.00 N ATOM 142 CA SER A 12 -9.038 -4.513 2.120 1.00 0.00 C ATOM 143 C SER A 12 -8.096 -3.484 2.748 1.00 0.00 C ATOM 144 O SER A 12 -8.172 -3.219 3.947 1.00 0.00 O ATOM 145 CB SER A 12 -10.477 -3.991 2.130 1.00 0.00 C ATOM 146 OG SER A 12 -11.418 -5.026 2.404 1.00 0.00 O ATOM 0 H SER A 12 -9.433 -5.810 3.717 1.00 0.00 H new ATOM 0 HA SER A 12 -8.746 -4.677 1.083 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.573 -3.206 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.706 -3.539 1.165 1.00 0.00 H new ATOM 0 HG SER A 12 -12.324 -4.653 2.403 1.00 0.00 H new ATOM 152 N PHE A 13 -7.231 -2.932 1.911 1.00 0.00 N ATOM 153 CA PHE A 13 -6.275 -1.939 2.370 1.00 0.00 C ATOM 154 C PHE A 13 -6.706 -0.531 1.954 1.00 0.00 C ATOM 155 O PHE A 13 -7.036 -0.297 0.792 1.00 0.00 O ATOM 156 CB PHE A 13 -4.936 -2.266 1.707 1.00 0.00 C ATOM 157 CG PHE A 13 -4.714 -3.759 1.457 1.00 0.00 C ATOM 158 CD1 PHE A 13 -5.250 -4.352 0.356 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.980 -4.494 2.335 1.00 0.00 C ATOM 160 CE1 PHE A 13 -5.045 -5.737 0.124 1.00 0.00 C ATOM 161 CE2 PHE A 13 -3.774 -5.880 2.103 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.311 -6.472 1.003 1.00 0.00 C ATOM 0 H PHE A 13 -7.172 -3.153 0.917 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.207 -1.963 3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.874 -1.736 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.129 -1.889 2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.832 -3.768 -0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.554 -4.024 3.209 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.471 -6.207 -0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.191 -6.464 2.800 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.155 -7.526 0.827 1.00 0.00 H new ATOM 172 N LYS A 14 -6.688 0.370 2.925 1.00 0.00 N ATOM 173 CA LYS A 14 -7.073 1.749 2.674 1.00 0.00 C ATOM 174 C LYS A 14 -5.819 2.583 2.404 1.00 0.00 C ATOM 175 O LYS A 14 -5.169 3.053 3.336 1.00 0.00 O ATOM 176 CB LYS A 14 -7.931 2.283 3.823 1.00 0.00 C ATOM 177 CG LYS A 14 -8.976 3.276 3.311 1.00 0.00 C ATOM 178 CD LYS A 14 -9.394 4.250 4.414 1.00 0.00 C ATOM 179 CE LYS A 14 -10.915 4.269 4.581 1.00 0.00 C ATOM 180 NZ LYS A 14 -11.326 5.385 5.462 1.00 0.00 N ATOM 0 H LYS A 14 -6.413 0.172 3.887 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.698 1.814 1.783 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.428 1.454 4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.294 2.769 4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.571 3.831 2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.850 2.735 2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.925 3.963 5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.038 5.252 4.173 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -11.392 4.372 3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.252 3.322 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.361 5.383 5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -10.885 5.270 6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.021 6.287 5.044 1.00 0.00 H new ATOM 194 N ILE A 15 -5.517 2.741 1.124 1.00 0.00 N ATOM 195 CA ILE A 15 -4.353 3.509 0.719 1.00 0.00 C ATOM 196 C ILE A 15 -4.810 4.817 0.069 1.00 0.00 C ATOM 197 O ILE A 15 -5.891 4.878 -0.516 1.00 0.00 O ATOM 198 CB ILE A 15 -3.438 2.667 -0.172 1.00 0.00 C ATOM 199 CG1 ILE A 15 -3.165 1.300 0.458 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.144 3.418 -0.496 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.831 0.259 -0.612 1.00 0.00 C ATOM 0 H ILE A 15 -6.059 2.350 0.353 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.753 3.777 1.589 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.952 2.489 -1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.338 1.380 1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.038 0.976 1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.512 2.797 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.382 4.345 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.615 3.648 0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.641 -0.703 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.670 0.164 -1.302 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.944 0.574 -1.161 1.00 0.00 H new ATOM 213 N THR A 16 -3.966 5.830 0.194 1.00 0.00 N ATOM 214 CA THR A 16 -4.271 7.132 -0.374 1.00 0.00 C ATOM 215 C THR A 16 -3.074 7.661 -1.167 1.00 0.00 C ATOM 216 O THR A 16 -2.021 7.942 -0.596 1.00 0.00 O ATOM 217 CB THR A 16 -4.700 8.057 0.767 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.086 7.777 0.938 1.00 0.00 O ATOM 219 CG2 THR A 16 -4.664 9.534 0.369 1.00 0.00 C ATOM 0 H THR A 16 -3.071 5.776 0.680 1.00 0.00 H new ATOM 0 HA THR A 16 -5.093 7.070 -1.088 1.00 0.00 H new ATOM 0 HB THR A 16 -4.050 7.897 1.627 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.445 8.333 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.977 10.146 1.215 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.650 9.808 0.079 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.339 9.701 -0.470 1.00 0.00 H new ATOM 227 N LEU A 17 -3.276 7.782 -2.471 1.00 0.00 N ATOM 228 CA LEU A 17 -2.227 8.272 -3.349 1.00 0.00 C ATOM 229 C LEU A 17 -1.842 9.693 -2.932 1.00 0.00 C ATOM 230 O LEU A 17 -2.708 10.545 -2.745 1.00 0.00 O ATOM 231 CB LEU A 17 -2.655 8.156 -4.813 1.00 0.00 C ATOM 232 CG LEU A 17 -1.899 9.041 -5.805 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.491 8.498 -6.061 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.692 9.212 -7.102 1.00 0.00 C ATOM 0 H LEU A 17 -4.151 7.549 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.332 7.657 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.541 7.117 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.717 8.394 -4.880 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.787 10.031 -5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.025 9.145 -6.770 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.064 8.470 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.559 7.491 -6.472 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.132 9.845 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.856 8.236 -7.559 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.653 9.676 -6.882 1.00 0.00 H new ATOM 246 N THR A 18 -0.540 9.904 -2.798 1.00 0.00 N ATOM 247 CA THR A 18 -0.030 11.206 -2.406 1.00 0.00 C ATOM 248 C THR A 18 1.061 11.665 -3.376 1.00 0.00 C ATOM 249 O THR A 18 2.205 11.877 -2.974 1.00 0.00 O ATOM 250 CB THR A 18 0.447 11.111 -0.956 1.00 0.00 C ATOM 251 OG1 THR A 18 1.503 10.156 -1.000 1.00 0.00 O ATOM 252 CG2 THR A 18 -0.596 10.471 -0.037 1.00 0.00 C ATOM 0 H THR A 18 0.176 9.195 -2.954 1.00 0.00 H new ATOM 0 HA THR A 18 -0.808 11.967 -2.457 1.00 0.00 H new ATOM 0 HB THR A 18 0.692 12.108 -0.589 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.215 10.482 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.207 10.428 0.980 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.508 11.067 -0.052 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.817 9.462 -0.384 1.00 0.00 H new ATOM 260 N SER A 19 0.670 11.804 -4.634 1.00 0.00 N ATOM 261 CA SER A 19 1.601 12.233 -5.664 1.00 0.00 C ATOM 262 C SER A 19 0.864 13.048 -6.729 1.00 0.00 C ATOM 263 O SER A 19 0.898 12.708 -7.910 1.00 0.00 O ATOM 264 CB SER A 19 2.304 11.035 -6.305 1.00 0.00 C ATOM 265 OG SER A 19 1.426 10.285 -7.139 1.00 0.00 O ATOM 0 H SER A 19 -0.279 11.627 -4.964 1.00 0.00 H new ATOM 0 HA SER A 19 2.362 12.859 -5.198 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.152 11.385 -6.893 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.703 10.388 -5.524 1.00 0.00 H new ATOM 0 HG SER A 19 1.089 10.858 -7.859 1.00 0.00 H new ATOM 271 N ASP A 20 0.215 14.109 -6.272 1.00 0.00 N ATOM 272 CA ASP A 20 -0.530 14.975 -7.170 1.00 0.00 C ATOM 273 C ASP A 20 -1.491 15.843 -6.356 1.00 0.00 C ATOM 274 O ASP A 20 -1.646 15.642 -5.152 1.00 0.00 O ATOM 275 CB ASP A 20 -1.358 14.157 -8.164 1.00 0.00 C ATOM 276 CG ASP A 20 -0.974 14.343 -9.633 1.00 0.00 C ATOM 277 OD1 ASP A 20 -0.388 15.405 -9.936 1.00 0.00 O ATOM 278 OD2 ASP A 20 -1.276 13.420 -10.419 1.00 0.00 O ATOM 0 H ASP A 20 0.190 14.389 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 20 0.186 15.589 -7.716 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.263 13.101 -7.910 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.409 14.421 -8.043 1.00 0.00 H new ATOM 283 N PRO A 21 -2.127 16.815 -7.063 1.00 0.00 N ATOM 284 CA PRO A 21 -3.068 17.715 -6.418 1.00 0.00 C ATOM 285 C PRO A 21 -4.394 17.007 -6.131 1.00 0.00 C ATOM 286 O PRO A 21 -5.451 17.460 -6.570 1.00 0.00 O ATOM 287 CB PRO A 21 -3.215 18.885 -7.377 1.00 0.00 C ATOM 288 CG PRO A 21 -2.716 18.385 -8.723 1.00 0.00 C ATOM 289 CD PRO A 21 -1.967 17.083 -8.489 1.00 0.00 C ATOM 0 HA PRO A 21 -2.721 18.058 -5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.254 19.209 -7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.634 19.743 -7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.551 18.227 -9.405 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.062 19.124 -9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.380 16.275 -9.093 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.915 17.177 -8.759 1.00 0.00 H new ATOM 297 N ARG A 22 -4.295 15.909 -5.397 1.00 0.00 N ATOM 298 CA ARG A 22 -5.474 15.134 -5.047 1.00 0.00 C ATOM 299 C ARG A 22 -5.107 14.028 -4.056 1.00 0.00 C ATOM 300 O ARG A 22 -3.947 13.628 -3.969 1.00 0.00 O ATOM 301 CB ARG A 22 -6.110 14.507 -6.289 1.00 0.00 C ATOM 302 CG ARG A 22 -7.125 15.458 -6.925 1.00 0.00 C ATOM 303 CD ARG A 22 -8.336 14.690 -7.460 1.00 0.00 C ATOM 304 NE ARG A 22 -9.569 15.483 -7.255 1.00 0.00 N ATOM 305 CZ ARG A 22 -10.161 15.658 -6.066 1.00 0.00 C ATOM 306 NH1 ARG A 22 -9.637 15.097 -4.968 1.00 0.00 N ATOM 307 NH2 ARG A 22 -11.277 16.394 -5.975 1.00 0.00 N ATOM 0 H ARG A 22 -3.417 15.537 -5.035 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.193 15.813 -4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.334 14.260 -7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.602 13.573 -6.018 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.452 16.192 -6.189 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.652 16.010 -7.737 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.203 14.477 -8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -8.422 13.730 -6.951 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.995 15.924 -8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.787 14.537 -5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.088 15.230 -4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.676 16.821 -6.811 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.728 16.527 -5.070 1.00 0.00 H new ATOM 321 N LEU A 23 -6.117 13.564 -3.335 1.00 0.00 N ATOM 322 CA LEU A 23 -5.914 12.512 -2.353 1.00 0.00 C ATOM 323 C LEU A 23 -6.998 11.446 -2.524 1.00 0.00 C ATOM 324 O LEU A 23 -7.842 11.267 -1.647 1.00 0.00 O ATOM 325 CB LEU A 23 -5.848 13.100 -0.942 1.00 0.00 C ATOM 326 CG LEU A 23 -4.456 13.498 -0.447 1.00 0.00 C ATOM 327 CD1 LEU A 23 -3.457 12.356 -0.644 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.986 14.792 -1.113 1.00 0.00 C ATOM 0 H LEU A 23 -7.078 13.897 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.954 12.021 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.490 13.980 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.265 12.372 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.517 13.691 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.476 12.665 -0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.790 11.481 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.393 12.107 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.994 15.052 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.945 14.651 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.683 15.596 -0.878 1.00 0.00 H new ATOM 340 N PRO A 24 -6.939 10.748 -3.690 1.00 0.00 N ATOM 341 CA PRO A 24 -7.906 9.705 -3.988 1.00 0.00 C ATOM 342 C PRO A 24 -7.615 8.441 -3.176 1.00 0.00 C ATOM 343 O PRO A 24 -6.456 8.106 -2.935 1.00 0.00 O ATOM 344 CB PRO A 24 -7.798 9.485 -5.488 1.00 0.00 C ATOM 345 CG PRO A 24 -6.460 10.076 -5.901 1.00 0.00 C ATOM 346 CD PRO A 24 -5.955 10.933 -4.752 1.00 0.00 C ATOM 0 HA PRO A 24 -8.923 9.983 -3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.848 8.424 -5.732 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.619 9.972 -6.014 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.747 9.284 -6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.570 10.675 -6.805 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.962 10.619 -4.431 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.879 11.981 -5.043 1.00 0.00 H new ATOM 354 N TYR A 25 -8.687 7.773 -2.776 1.00 0.00 N ATOM 355 CA TYR A 25 -8.562 6.553 -1.997 1.00 0.00 C ATOM 356 C TYR A 25 -9.276 5.387 -2.684 1.00 0.00 C ATOM 357 O TYR A 25 -10.227 5.594 -3.437 1.00 0.00 O ATOM 358 CB TYR A 25 -9.246 6.836 -0.658 1.00 0.00 C ATOM 359 CG TYR A 25 -10.762 6.633 -0.678 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.293 5.377 -0.465 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.599 7.705 -0.910 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.720 5.186 -0.484 1.00 0.00 C ATOM 363 CE2 TYR A 25 -13.026 7.514 -0.929 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.516 6.264 -0.715 1.00 0.00 C ATOM 365 OH TYR A 25 -14.864 6.083 -0.733 1.00 0.00 O ATOM 0 H TYR A 25 -9.647 8.054 -2.977 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.514 6.278 -1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -8.813 6.187 0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.031 7.863 -0.362 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.638 4.537 -0.284 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.184 8.688 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.149 4.209 -0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.692 8.345 -1.109 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.307 6.940 -0.908 1.00 0.00 H new ATOM 375 N LYS A 26 -8.790 4.188 -2.400 1.00 0.00 N ATOM 376 CA LYS A 26 -9.370 2.989 -2.982 1.00 0.00 C ATOM 377 C LYS A 26 -8.967 1.774 -2.143 1.00 0.00 C ATOM 378 O LYS A 26 -7.801 1.625 -1.781 1.00 0.00 O ATOM 379 CB LYS A 26 -8.988 2.871 -4.458 1.00 0.00 C ATOM 380 CG LYS A 26 -7.513 2.492 -4.615 1.00 0.00 C ATOM 381 CD LYS A 26 -7.364 1.024 -5.019 1.00 0.00 C ATOM 382 CE LYS A 26 -5.918 0.705 -5.404 1.00 0.00 C ATOM 383 NZ LYS A 26 -5.408 -0.432 -4.606 1.00 0.00 N ATOM 0 H LYS A 26 -8.002 4.021 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.458 3.044 -2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.613 2.120 -4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.180 3.817 -4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.048 3.129 -5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.986 2.670 -3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.674 0.383 -4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.024 0.805 -5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.863 0.465 -6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.290 1.581 -5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.497 -0.174 -4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.091 -0.664 -3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.278 -1.259 -5.223 1.00 0.00 H new ATOM 397 N VAL A 27 -9.954 0.938 -1.859 1.00 0.00 N ATOM 398 CA VAL A 27 -9.717 -0.259 -1.070 1.00 0.00 C ATOM 399 C VAL A 27 -9.606 -1.466 -2.003 1.00 0.00 C ATOM 400 O VAL A 27 -10.531 -1.759 -2.758 1.00 0.00 O ATOM 401 CB VAL A 27 -10.815 -0.417 -0.016 1.00 0.00 C ATOM 402 CG1 VAL A 27 -10.914 0.831 0.864 1.00 0.00 C ATOM 403 CG2 VAL A 27 -12.161 -0.735 -0.670 1.00 0.00 C ATOM 0 H VAL A 27 -10.920 1.066 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.774 -0.179 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.547 -1.258 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.702 0.692 1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.963 0.995 1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.147 1.696 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.924 -0.842 0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.438 0.075 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.081 -1.665 -1.233 1.00 0.00 H new ATOM 413 N LEU A 28 -8.465 -2.135 -1.920 1.00 0.00 N ATOM 414 CA LEU A 28 -8.221 -3.304 -2.748 1.00 0.00 C ATOM 415 C LEU A 28 -8.391 -4.567 -1.902 1.00 0.00 C ATOM 416 O LEU A 28 -7.746 -4.716 -0.865 1.00 0.00 O ATOM 417 CB LEU A 28 -6.855 -3.201 -3.431 1.00 0.00 C ATOM 418 CG LEU A 28 -6.432 -4.410 -4.268 1.00 0.00 C ATOM 419 CD1 LEU A 28 -6.939 -4.285 -5.706 1.00 0.00 C ATOM 420 CD2 LEU A 28 -4.916 -4.613 -4.210 1.00 0.00 C ATOM 0 H LEU A 28 -7.700 -1.890 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.952 -3.359 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.858 -2.321 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.099 -3.032 -2.664 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.893 -5.300 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.625 -5.157 -6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.027 -4.225 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.527 -3.384 -6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.641 -5.478 -4.813 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.415 -3.726 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.610 -4.779 -3.177 1.00 0.00 H new ATOM 432 N SER A 29 -9.264 -5.445 -2.375 1.00 0.00 N ATOM 433 CA SER A 29 -9.528 -6.690 -1.675 1.00 0.00 C ATOM 434 C SER A 29 -8.849 -7.853 -2.402 1.00 0.00 C ATOM 435 O SER A 29 -9.114 -8.093 -3.579 1.00 0.00 O ATOM 436 CB SER A 29 -11.031 -6.945 -1.553 1.00 0.00 C ATOM 437 OG SER A 29 -11.425 -7.185 -0.205 1.00 0.00 O ATOM 0 H SER A 29 -9.797 -5.318 -3.235 1.00 0.00 H new ATOM 0 HA SER A 29 -9.118 -6.610 -0.668 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.577 -6.086 -1.943 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.304 -7.802 -2.168 1.00 0.00 H new ATOM 0 HG SER A 29 -12.392 -7.342 -0.170 1.00 0.00 H new ATOM 443 N VAL A 30 -7.987 -8.544 -1.671 1.00 0.00 N ATOM 444 CA VAL A 30 -7.269 -9.676 -2.232 1.00 0.00 C ATOM 445 C VAL A 30 -7.161 -10.779 -1.177 1.00 0.00 C ATOM 446 O VAL A 30 -7.269 -10.512 0.019 1.00 0.00 O ATOM 447 CB VAL A 30 -5.908 -9.221 -2.762 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.069 -8.360 -4.017 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.120 -8.475 -1.683 1.00 0.00 C ATOM 0 H VAL A 30 -7.769 -8.342 -0.695 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.812 -10.090 -3.081 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.341 -10.111 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.087 -8.050 -4.374 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.571 -8.938 -4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.664 -7.478 -3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.157 -8.163 -2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.682 -7.597 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.960 -9.133 -0.829 1.00 0.00 H new ATOM 459 N PRO A 31 -6.944 -12.027 -1.671 1.00 0.00 N ATOM 460 CA PRO A 31 -6.820 -13.172 -0.785 1.00 0.00 C ATOM 461 C PRO A 31 -5.461 -13.176 -0.081 1.00 0.00 C ATOM 462 O PRO A 31 -4.420 -13.135 -0.734 1.00 0.00 O ATOM 463 CB PRO A 31 -7.031 -14.384 -1.676 1.00 0.00 C ATOM 464 CG PRO A 31 -6.803 -13.900 -3.099 1.00 0.00 C ATOM 465 CD PRO A 31 -6.811 -12.381 -3.081 1.00 0.00 C ATOM 0 HA PRO A 31 -7.550 -13.158 0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.336 -15.183 -1.419 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.037 -14.786 -1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.852 -14.272 -3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.583 -14.278 -3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.893 -11.975 -3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.638 -11.982 -3.669 1.00 0.00 H new ATOM 473 N GLU A 32 -5.516 -13.227 1.242 1.00 0.00 N ATOM 474 CA GLU A 32 -4.303 -13.237 2.041 1.00 0.00 C ATOM 475 C GLU A 32 -3.232 -14.099 1.369 1.00 0.00 C ATOM 476 O GLU A 32 -2.071 -13.702 1.289 1.00 0.00 O ATOM 477 CB GLU A 32 -4.587 -13.725 3.463 1.00 0.00 C ATOM 478 CG GLU A 32 -5.424 -15.006 3.446 1.00 0.00 C ATOM 479 CD GLU A 32 -5.705 -15.495 4.868 1.00 0.00 C ATOM 480 OE1 GLU A 32 -5.595 -14.657 5.789 1.00 0.00 O ATOM 481 OE2 GLU A 32 -6.024 -16.696 5.002 1.00 0.00 O ATOM 0 H GLU A 32 -6.382 -13.262 1.780 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.929 -12.216 2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.647 -13.908 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.114 -12.949 4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.365 -14.823 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.898 -15.781 2.888 1.00 0.00 H new ATOM 488 N SER A 33 -3.661 -15.264 0.905 1.00 0.00 N ATOM 489 CA SER A 33 -2.753 -16.185 0.242 1.00 0.00 C ATOM 490 C SER A 33 -1.766 -15.410 -0.632 1.00 0.00 C ATOM 491 O SER A 33 -0.639 -15.854 -0.846 1.00 0.00 O ATOM 492 CB SER A 33 -3.522 -17.205 -0.600 1.00 0.00 C ATOM 493 OG SER A 33 -2.724 -18.340 -0.924 1.00 0.00 O ATOM 0 H SER A 33 -4.625 -15.591 0.975 1.00 0.00 H new ATOM 0 HA SER A 33 -2.199 -16.729 1.007 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.409 -17.529 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.867 -16.730 -1.519 1.00 0.00 H new ATOM 0 HG SER A 33 -3.251 -18.968 -1.461 1.00 0.00 H new ATOM 499 N THR A 34 -2.226 -14.265 -1.115 1.00 0.00 N ATOM 500 CA THR A 34 -1.397 -13.423 -1.961 1.00 0.00 C ATOM 501 C THR A 34 -0.542 -12.484 -1.108 1.00 0.00 C ATOM 502 O THR A 34 -0.972 -12.045 -0.042 1.00 0.00 O ATOM 503 CB THR A 34 -2.315 -12.688 -2.940 1.00 0.00 C ATOM 504 OG1 THR A 34 -2.600 -13.658 -3.944 1.00 0.00 O ATOM 505 CG2 THR A 34 -1.591 -11.572 -3.696 1.00 0.00 C ATOM 0 H THR A 34 -3.162 -13.901 -0.937 1.00 0.00 H new ATOM 0 HA THR A 34 -0.690 -14.018 -2.539 1.00 0.00 H new ATOM 0 HB THR A 34 -3.162 -12.269 -2.397 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.192 -13.266 -4.619 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.287 -11.083 -4.377 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.205 -10.842 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.764 -11.996 -4.265 1.00 0.00 H new ATOM 513 N PRO A 35 0.683 -12.197 -1.621 1.00 0.00 N ATOM 514 CA PRO A 35 1.602 -11.318 -0.918 1.00 0.00 C ATOM 515 C PRO A 35 1.168 -9.856 -1.044 1.00 0.00 C ATOM 516 O PRO A 35 0.682 -9.438 -2.094 1.00 0.00 O ATOM 517 CB PRO A 35 2.962 -11.590 -1.541 1.00 0.00 C ATOM 518 CG PRO A 35 2.681 -12.262 -2.875 1.00 0.00 C ATOM 519 CD PRO A 35 1.225 -12.698 -2.881 1.00 0.00 C ATOM 0 HA PRO A 35 1.626 -11.507 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.520 -10.664 -1.680 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.564 -12.233 -0.899 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.877 -11.574 -3.697 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.337 -13.121 -3.015 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.691 -12.282 -3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.137 -13.782 -2.947 1.00 0.00 H new ATOM 527 N PHE A 36 1.359 -9.120 0.040 1.00 0.00 N ATOM 528 CA PHE A 36 0.993 -7.714 0.064 1.00 0.00 C ATOM 529 C PHE A 36 1.752 -6.931 -1.010 1.00 0.00 C ATOM 530 O PHE A 36 1.401 -5.794 -1.319 1.00 0.00 O ATOM 531 CB PHE A 36 1.382 -7.173 1.442 1.00 0.00 C ATOM 532 CG PHE A 36 0.632 -5.902 1.846 1.00 0.00 C ATOM 533 CD1 PHE A 36 0.955 -4.711 1.274 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.357 -5.963 2.777 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.260 -3.532 1.649 1.00 0.00 C ATOM 536 CE2 PHE A 36 -1.053 -4.784 3.152 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.730 -3.593 2.580 1.00 0.00 C ATOM 0 H PHE A 36 1.763 -9.471 0.909 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.074 -7.605 -0.130 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.197 -7.945 2.189 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.453 -6.969 1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.740 -4.663 0.534 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.613 -6.909 3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.517 -2.586 1.195 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.839 -4.833 3.891 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.259 -2.696 2.865 1.00 0.00 H new ATOM 547 N THR A 37 2.779 -7.572 -1.549 1.00 0.00 N ATOM 548 CA THR A 37 3.591 -6.951 -2.581 1.00 0.00 C ATOM 549 C THR A 37 2.781 -6.787 -3.869 1.00 0.00 C ATOM 550 O THR A 37 3.028 -5.868 -4.649 1.00 0.00 O ATOM 551 CB THR A 37 4.854 -7.794 -2.761 1.00 0.00 C ATOM 552 OG1 THR A 37 5.830 -6.864 -3.222 1.00 0.00 O ATOM 553 CG2 THR A 37 4.728 -8.801 -3.906 1.00 0.00 C ATOM 0 H THR A 37 3.067 -8.516 -1.290 1.00 0.00 H new ATOM 0 HA THR A 37 3.894 -5.944 -2.294 1.00 0.00 H new ATOM 0 HB THR A 37 5.071 -8.324 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.682 -7.327 -3.363 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.652 -9.373 -3.991 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.898 -9.479 -3.705 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.544 -8.269 -4.840 1.00 0.00 H new ATOM 561 N ALA A 38 1.832 -7.693 -4.053 1.00 0.00 N ATOM 562 CA ALA A 38 0.985 -7.660 -5.233 1.00 0.00 C ATOM 563 C ALA A 38 0.003 -6.492 -5.119 1.00 0.00 C ATOM 564 O ALA A 38 -0.450 -5.956 -6.129 1.00 0.00 O ATOM 565 CB ALA A 38 0.274 -9.006 -5.389 1.00 0.00 C ATOM 0 H ALA A 38 1.631 -8.454 -3.405 1.00 0.00 H new ATOM 0 HA ALA A 38 1.583 -7.501 -6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.361 -8.981 -6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.015 -9.798 -5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.338 -9.198 -4.508 1.00 0.00 H new ATOM 571 N VAL A 39 -0.297 -6.132 -3.879 1.00 0.00 N ATOM 572 CA VAL A 39 -1.216 -5.037 -3.620 1.00 0.00 C ATOM 573 C VAL A 39 -0.639 -3.743 -4.198 1.00 0.00 C ATOM 574 O VAL A 39 -1.350 -2.976 -4.845 1.00 0.00 O ATOM 575 CB VAL A 39 -1.510 -4.944 -2.121 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.344 -3.702 -1.802 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.201 -6.213 -1.618 1.00 0.00 C ATOM 0 H VAL A 39 0.080 -6.579 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.171 -5.215 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.558 -4.851 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.539 -3.660 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.798 -2.809 -2.107 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.290 -3.751 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.399 -6.121 -0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.142 -6.350 -2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.555 -7.073 -1.795 1.00 0.00 H new ATOM 587 N LEU A 40 0.646 -3.541 -3.943 1.00 0.00 N ATOM 588 CA LEU A 40 1.327 -2.353 -4.429 1.00 0.00 C ATOM 589 C LEU A 40 1.102 -2.223 -5.937 1.00 0.00 C ATOM 590 O LEU A 40 0.442 -1.290 -6.391 1.00 0.00 O ATOM 591 CB LEU A 40 2.803 -2.380 -4.028 1.00 0.00 C ATOM 592 CG LEU A 40 3.703 -1.348 -4.710 1.00 0.00 C ATOM 593 CD1 LEU A 40 4.544 -0.589 -3.682 1.00 0.00 C ATOM 594 CD2 LEU A 40 4.569 -2.003 -5.788 1.00 0.00 C ATOM 0 H LEU A 40 1.233 -4.180 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 40 0.911 -1.459 -3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.869 -2.234 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.198 -3.374 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 40 3.067 -0.616 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.175 0.138 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.886 -0.071 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.172 -1.292 -3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.199 -1.247 -6.257 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.198 -2.769 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.928 -2.460 -6.542 1.00 0.00 H new ATOM 606 N LYS A 41 1.664 -3.173 -6.671 1.00 0.00 N ATOM 607 CA LYS A 41 1.532 -3.176 -8.118 1.00 0.00 C ATOM 608 C LYS A 41 0.095 -2.813 -8.496 1.00 0.00 C ATOM 609 O LYS A 41 -0.137 -1.826 -9.193 1.00 0.00 O ATOM 610 CB LYS A 41 2.001 -4.513 -8.695 1.00 0.00 C ATOM 611 CG LYS A 41 3.164 -4.312 -9.670 1.00 0.00 C ATOM 612 CD LYS A 41 3.760 -5.654 -10.097 1.00 0.00 C ATOM 613 CE LYS A 41 5.266 -5.696 -9.829 1.00 0.00 C ATOM 614 NZ LYS A 41 6.013 -5.149 -10.983 1.00 0.00 N ATOM 0 H LYS A 41 2.211 -3.945 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 41 2.179 -2.419 -8.561 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.311 -5.174 -7.885 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.173 -5.003 -9.207 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.817 -3.768 -10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.935 -3.701 -9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.268 -6.463 -9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.571 -5.819 -11.158 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.498 -5.121 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.579 -6.723 -9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.033 -5.185 -10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.805 -5.714 -11.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.727 -4.163 -11.146 1.00 0.00 H new ATOM 628 N PHE A 42 -0.833 -3.630 -8.020 1.00 0.00 N ATOM 629 CA PHE A 42 -2.241 -3.407 -8.299 1.00 0.00 C ATOM 630 C PHE A 42 -2.635 -1.957 -8.011 1.00 0.00 C ATOM 631 O PHE A 42 -3.094 -1.246 -8.903 1.00 0.00 O ATOM 632 CB PHE A 42 -3.033 -4.332 -7.373 1.00 0.00 C ATOM 633 CG PHE A 42 -4.441 -4.659 -7.875 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.271 -3.657 -8.271 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.862 -5.951 -7.925 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.578 -3.960 -8.736 1.00 0.00 C ATOM 637 CE2 PHE A 42 -6.169 -6.254 -8.390 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.999 -5.252 -8.786 1.00 0.00 C ATOM 0 H PHE A 42 -0.637 -4.448 -7.443 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.448 -3.609 -9.350 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.479 -5.262 -7.245 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.108 -3.868 -6.390 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.936 -2.631 -8.232 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.202 -6.747 -7.611 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.238 -3.164 -9.050 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.504 -7.280 -8.429 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.993 -5.483 -9.140 1.00 0.00 H new ATOM 648 N ALA A 43 -2.440 -1.563 -6.761 1.00 0.00 N ATOM 649 CA ALA A 43 -2.769 -0.210 -6.344 1.00 0.00 C ATOM 650 C ALA A 43 -2.249 0.781 -7.386 1.00 0.00 C ATOM 651 O ALA A 43 -3.030 1.489 -8.019 1.00 0.00 O ATOM 652 CB ALA A 43 -2.191 0.049 -4.951 1.00 0.00 C ATOM 0 H ALA A 43 -2.059 -2.156 -6.024 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.849 -0.080 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.437 1.064 -4.638 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.616 -0.663 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.108 -0.069 -4.979 1.00 0.00 H new ATOM 658 N ALA A 44 -0.932 0.801 -7.531 1.00 0.00 N ATOM 659 CA ALA A 44 -0.297 1.695 -8.485 1.00 0.00 C ATOM 660 C ALA A 44 -1.081 1.670 -9.799 1.00 0.00 C ATOM 661 O ALA A 44 -1.607 2.695 -10.231 1.00 0.00 O ATOM 662 CB ALA A 44 1.166 1.287 -8.671 1.00 0.00 C ATOM 0 H ALA A 44 -0.287 0.212 -7.004 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.305 2.720 -8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.643 1.957 -9.386 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.685 1.348 -7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.214 0.264 -9.045 1.00 0.00 H new ATOM 668 N GLU A 45 -1.135 0.489 -10.397 1.00 0.00 N ATOM 669 CA GLU A 45 -1.846 0.318 -11.652 1.00 0.00 C ATOM 670 C GLU A 45 -3.264 0.882 -11.541 1.00 0.00 C ATOM 671 O GLU A 45 -3.754 1.529 -12.466 1.00 0.00 O ATOM 672 CB GLU A 45 -1.873 -1.153 -12.071 1.00 0.00 C ATOM 673 CG GLU A 45 -0.627 -1.515 -12.883 1.00 0.00 C ATOM 674 CD GLU A 45 -0.947 -2.583 -13.931 1.00 0.00 C ATOM 675 OE1 GLU A 45 -1.771 -3.465 -13.609 1.00 0.00 O ATOM 676 OE2 GLU A 45 -0.359 -2.492 -15.030 1.00 0.00 O ATOM 0 H GLU A 45 -0.698 -0.359 -10.035 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.315 0.873 -12.426 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.931 -1.786 -11.186 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.767 -1.350 -12.663 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.237 -0.624 -13.374 1.00 0.00 H new ATOM 0 HG3 GLU A 45 0.154 -1.878 -12.215 1.00 0.00 H new ATOM 683 N GLU A 46 -3.884 0.617 -10.400 1.00 0.00 N ATOM 684 CA GLU A 46 -5.236 1.090 -10.156 1.00 0.00 C ATOM 685 C GLU A 46 -5.259 2.618 -10.083 1.00 0.00 C ATOM 686 O GLU A 46 -6.308 3.236 -10.258 1.00 0.00 O ATOM 687 CB GLU A 46 -5.811 0.471 -8.880 1.00 0.00 C ATOM 688 CG GLU A 46 -6.842 -0.610 -9.211 1.00 0.00 C ATOM 689 CD GLU A 46 -8.080 -0.003 -9.872 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.736 0.823 -9.200 1.00 0.00 O ATOM 691 OE2 GLU A 46 -8.344 -0.377 -11.035 1.00 0.00 O ATOM 0 H GLU A 46 -3.475 0.081 -9.635 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.866 0.776 -10.989 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.005 0.040 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.275 1.248 -8.272 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.397 -1.351 -9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.132 -1.133 -8.299 1.00 0.00 H new ATOM 698 N PHE A 47 -4.089 3.184 -9.824 1.00 0.00 N ATOM 699 CA PHE A 47 -3.961 4.628 -9.726 1.00 0.00 C ATOM 700 C PHE A 47 -3.347 5.212 -11.000 1.00 0.00 C ATOM 701 O PHE A 47 -3.099 6.414 -11.079 1.00 0.00 O ATOM 702 CB PHE A 47 -3.030 4.915 -8.547 1.00 0.00 C ATOM 703 CG PHE A 47 -3.753 5.082 -7.209 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.732 6.018 -7.077 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.418 4.295 -6.152 1.00 0.00 C ATOM 706 CE1 PHE A 47 -5.403 6.173 -5.835 1.00 0.00 C ATOM 707 CE2 PHE A 47 -4.089 4.450 -4.910 1.00 0.00 C ATOM 708 CZ PHE A 47 -5.067 5.385 -4.778 1.00 0.00 C ATOM 0 H PHE A 47 -3.221 2.668 -9.679 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.943 5.080 -9.588 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.310 4.102 -8.460 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.463 5.822 -8.757 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.999 6.643 -7.917 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.641 3.552 -6.257 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.180 6.916 -5.730 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.822 3.825 -4.070 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.578 5.502 -3.834 1.00 0.00 H new ATOM 718 N LYS A 48 -3.120 4.333 -11.966 1.00 0.00 N ATOM 719 CA LYS A 48 -2.540 4.747 -13.232 1.00 0.00 C ATOM 720 C LYS A 48 -1.151 5.338 -12.983 1.00 0.00 C ATOM 721 O LYS A 48 -0.803 6.375 -13.546 1.00 0.00 O ATOM 722 CB LYS A 48 -3.487 5.693 -13.972 1.00 0.00 C ATOM 723 CG LYS A 48 -3.436 5.451 -15.482 1.00 0.00 C ATOM 724 CD LYS A 48 -4.835 5.187 -16.043 1.00 0.00 C ATOM 725 CE LYS A 48 -4.760 4.410 -17.359 1.00 0.00 C ATOM 726 NZ LYS A 48 -6.082 4.392 -18.025 1.00 0.00 N ATOM 0 H LYS A 48 -3.327 3.337 -11.897 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.408 3.887 -13.889 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.505 5.549 -13.611 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.216 6.726 -13.757 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.999 6.318 -15.978 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.788 4.601 -15.696 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.422 4.624 -15.317 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.351 6.134 -16.204 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.021 4.867 -18.017 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.428 3.389 -17.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.014 3.861 -18.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.778 3.935 -17.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.383 5.367 -18.225 1.00 0.00 H new ATOM 740 N VAL A 49 -0.394 4.652 -12.138 1.00 0.00 N ATOM 741 CA VAL A 49 0.950 5.096 -11.808 1.00 0.00 C ATOM 742 C VAL A 49 1.906 3.903 -11.866 1.00 0.00 C ATOM 743 O VAL A 49 1.481 2.756 -11.737 1.00 0.00 O ATOM 744 CB VAL A 49 0.950 5.796 -10.447 1.00 0.00 C ATOM 745 CG1 VAL A 49 -0.074 6.932 -10.415 1.00 0.00 C ATOM 746 CG2 VAL A 49 0.695 4.796 -9.317 1.00 0.00 C ATOM 0 H VAL A 49 -0.686 3.793 -11.672 1.00 0.00 H new ATOM 0 HA VAL A 49 1.300 5.828 -12.536 1.00 0.00 H new ATOM 0 HB VAL A 49 1.938 6.231 -10.293 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.054 7.413 -9.437 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.171 7.664 -11.184 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.070 6.530 -10.601 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.700 5.319 -8.361 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.274 4.319 -9.465 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.477 4.037 -9.320 1.00 0.00 H new ATOM 756 N PRO A 50 3.212 4.223 -12.066 1.00 0.00 N ATOM 757 CA PRO A 50 4.232 3.190 -12.144 1.00 0.00 C ATOM 758 C PRO A 50 4.547 2.626 -10.757 1.00 0.00 C ATOM 759 O PRO A 50 4.910 3.370 -9.847 1.00 0.00 O ATOM 760 CB PRO A 50 5.427 3.866 -12.795 1.00 0.00 C ATOM 761 CG PRO A 50 5.200 5.361 -12.635 1.00 0.00 C ATOM 762 CD PRO A 50 3.752 5.570 -12.224 1.00 0.00 C ATOM 0 HA PRO A 50 3.913 2.326 -12.728 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.357 3.559 -12.317 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.504 3.593 -13.848 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.874 5.771 -11.883 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.411 5.881 -13.569 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.682 6.136 -11.295 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.203 6.130 -12.981 1.00 0.00 H new ATOM 770 N ALA A 51 4.396 1.315 -10.639 1.00 0.00 N ATOM 771 CA ALA A 51 4.659 0.641 -9.379 1.00 0.00 C ATOM 772 C ALA A 51 6.161 0.382 -9.248 1.00 0.00 C ATOM 773 O ALA A 51 6.650 0.075 -8.162 1.00 0.00 O ATOM 774 CB ALA A 51 3.837 -0.647 -9.306 1.00 0.00 C ATOM 0 H ALA A 51 4.095 0.701 -11.396 1.00 0.00 H new ATOM 0 HA ALA A 51 4.358 1.267 -8.539 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.035 -1.152 -8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.776 -0.406 -9.373 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.113 -1.302 -10.132 1.00 0.00 H new ATOM 780 N ALA A 52 6.852 0.516 -10.371 1.00 0.00 N ATOM 781 CA ALA A 52 8.289 0.300 -10.395 1.00 0.00 C ATOM 782 C ALA A 52 8.959 1.243 -9.394 1.00 0.00 C ATOM 783 O ALA A 52 9.898 0.853 -8.702 1.00 0.00 O ATOM 784 CB ALA A 52 8.810 0.497 -11.820 1.00 0.00 C ATOM 0 H ALA A 52 6.444 0.771 -11.270 1.00 0.00 H new ATOM 0 HA ALA A 52 8.529 -0.721 -10.097 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.888 0.335 -11.839 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.324 -0.216 -12.487 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.590 1.512 -12.151 1.00 0.00 H new ATOM 790 N THR A 53 8.450 2.465 -9.349 1.00 0.00 N ATOM 791 CA THR A 53 8.988 3.467 -8.444 1.00 0.00 C ATOM 792 C THR A 53 7.970 3.800 -7.352 1.00 0.00 C ATOM 793 O THR A 53 7.809 4.963 -6.982 1.00 0.00 O ATOM 794 CB THR A 53 9.407 4.680 -9.276 1.00 0.00 C ATOM 795 OG1 THR A 53 8.218 5.054 -9.967 1.00 0.00 O ATOM 796 CG2 THR A 53 10.387 4.315 -10.392 1.00 0.00 C ATOM 0 H THR A 53 7.671 2.784 -9.924 1.00 0.00 H new ATOM 0 HA THR A 53 9.869 3.095 -7.920 1.00 0.00 H new ATOM 0 HB THR A 53 9.861 5.427 -8.625 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.399 5.835 -10.530 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.652 5.212 -10.952 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.287 3.879 -9.958 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.922 3.593 -11.063 1.00 0.00 H new ATOM 804 N SER A 54 7.308 2.760 -6.866 1.00 0.00 N ATOM 805 CA SER A 54 6.309 2.929 -5.824 1.00 0.00 C ATOM 806 C SER A 54 6.714 2.137 -4.579 1.00 0.00 C ATOM 807 O SER A 54 7.457 1.161 -4.674 1.00 0.00 O ATOM 808 CB SER A 54 4.927 2.486 -6.309 1.00 0.00 C ATOM 809 OG SER A 54 4.777 1.070 -6.274 1.00 0.00 O ATOM 0 H SER A 54 7.444 1.797 -7.175 1.00 0.00 H new ATOM 0 HA SER A 54 6.253 3.988 -5.571 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.160 2.947 -5.687 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.769 2.842 -7.327 1.00 0.00 H new ATOM 0 HG SER A 54 5.432 0.657 -6.874 1.00 0.00 H new ATOM 815 N ALA A 55 6.207 2.586 -3.441 1.00 0.00 N ATOM 816 CA ALA A 55 6.506 1.932 -2.178 1.00 0.00 C ATOM 817 C ALA A 55 5.405 2.258 -1.166 1.00 0.00 C ATOM 818 O ALA A 55 4.801 3.328 -1.224 1.00 0.00 O ATOM 819 CB ALA A 55 7.891 2.366 -1.694 1.00 0.00 C ATOM 0 H ALA A 55 5.591 3.395 -3.367 1.00 0.00 H new ATOM 0 HA ALA A 55 6.529 0.849 -2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.116 1.876 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.640 2.085 -2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.906 3.447 -1.555 1.00 0.00 H new ATOM 825 N ILE A 56 5.178 1.316 -0.263 1.00 0.00 N ATOM 826 CA ILE A 56 4.161 1.490 0.760 1.00 0.00 C ATOM 827 C ILE A 56 4.816 1.418 2.141 1.00 0.00 C ATOM 828 O ILE A 56 5.752 0.648 2.349 1.00 0.00 O ATOM 829 CB ILE A 56 3.027 0.482 0.565 1.00 0.00 C ATOM 830 CG1 ILE A 56 2.327 0.698 -0.779 1.00 0.00 C ATOM 831 CG2 ILE A 56 2.045 0.527 1.737 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.714 -0.605 -1.294 1.00 0.00 C ATOM 0 H ILE A 56 5.681 0.430 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 56 3.700 2.474 0.675 1.00 0.00 H new ATOM 0 HB ILE A 56 3.459 -0.519 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.548 1.452 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.042 1.081 -1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.249 -0.199 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.570 0.287 2.661 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.615 1.526 1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.223 -0.423 -2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.499 -1.350 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.982 -0.972 -0.574 1.00 0.00 H new ATOM 844 N ILE A 57 4.297 2.232 3.049 1.00 0.00 N ATOM 845 CA ILE A 57 4.820 2.271 4.405 1.00 0.00 C ATOM 846 C ILE A 57 3.669 2.510 5.384 1.00 0.00 C ATOM 847 O ILE A 57 2.588 2.939 4.983 1.00 0.00 O ATOM 848 CB ILE A 57 5.945 3.301 4.516 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.405 4.723 4.356 1.00 0.00 C ATOM 850 CG2 ILE A 57 7.066 2.998 3.519 1.00 0.00 C ATOM 851 CD1 ILE A 57 6.162 5.702 5.256 1.00 0.00 C ATOM 0 H ILE A 57 3.520 2.869 2.873 1.00 0.00 H new ATOM 0 HA ILE A 57 5.269 1.313 4.668 1.00 0.00 H new ATOM 0 HB ILE A 57 6.375 3.231 5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.496 5.035 3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.344 4.743 4.603 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.853 3.745 3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.476 2.009 3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.668 3.024 2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.758 6.706 5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.049 5.401 6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.219 5.698 4.990 1.00 0.00 H new ATOM 863 N THR A 58 3.940 2.222 6.648 1.00 0.00 N ATOM 864 CA THR A 58 2.940 2.400 7.687 1.00 0.00 C ATOM 865 C THR A 58 3.033 3.807 8.281 1.00 0.00 C ATOM 866 O THR A 58 4.081 4.447 8.207 1.00 0.00 O ATOM 867 CB THR A 58 3.131 1.289 8.722 1.00 0.00 C ATOM 868 OG1 THR A 58 4.250 1.720 9.491 1.00 0.00 O ATOM 869 CG2 THR A 58 3.595 -0.025 8.092 1.00 0.00 C ATOM 0 H THR A 58 4.838 1.867 6.977 1.00 0.00 H new ATOM 0 HA THR A 58 1.931 2.318 7.283 1.00 0.00 H new ATOM 0 HB THR A 58 2.194 1.125 9.255 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.443 1.058 10.188 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.715 -0.779 8.870 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.853 -0.364 7.369 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.548 0.130 7.587 1.00 0.00 H new ATOM 877 N ASN A 59 1.924 4.246 8.857 1.00 0.00 N ATOM 878 CA ASN A 59 1.867 5.565 9.463 1.00 0.00 C ATOM 879 C ASN A 59 2.880 5.640 10.607 1.00 0.00 C ATOM 880 O ASN A 59 2.546 5.356 11.757 1.00 0.00 O ATOM 881 CB ASN A 59 0.479 5.846 10.042 1.00 0.00 C ATOM 882 CG ASN A 59 0.291 7.340 10.316 1.00 0.00 C ATOM 883 OD1 ASN A 59 1.239 8.092 10.475 1.00 0.00 O ATOM 884 ND2 ASN A 59 -0.981 7.726 10.361 1.00 0.00 N ATOM 0 H ASN A 59 1.057 3.711 8.917 1.00 0.00 H new ATOM 0 HA ASN A 59 2.091 6.301 8.691 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.286 5.501 9.346 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.346 5.284 10.966 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.211 8.704 10.537 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.726 7.044 10.219 1.00 0.00 H new ATOM 891 N ASP A 60 4.098 6.023 10.253 1.00 0.00 N ATOM 892 CA ASP A 60 5.162 6.139 11.236 1.00 0.00 C ATOM 893 C ASP A 60 6.506 6.253 10.515 1.00 0.00 C ATOM 894 O ASP A 60 7.430 6.895 11.014 1.00 0.00 O ATOM 895 CB ASP A 60 5.214 4.905 12.139 1.00 0.00 C ATOM 896 CG ASP A 60 5.069 5.192 13.635 1.00 0.00 C ATOM 897 OD1 ASP A 60 3.908 5.218 14.098 1.00 0.00 O ATOM 898 OD2 ASP A 60 6.123 5.379 14.281 1.00 0.00 O ATOM 0 H ASP A 60 4.372 6.257 9.299 1.00 0.00 H new ATOM 0 HA ASP A 60 4.965 7.023 11.843 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.422 4.219 11.838 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.161 4.391 11.973 1.00 0.00 H new ATOM 903 N GLY A 61 6.574 5.622 9.352 1.00 0.00 N ATOM 904 CA GLY A 61 7.790 5.645 8.557 1.00 0.00 C ATOM 905 C GLY A 61 8.477 4.278 8.567 1.00 0.00 C ATOM 906 O GLY A 61 9.702 4.195 8.487 1.00 0.00 O ATOM 0 H GLY A 61 5.806 5.091 8.941 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.553 5.930 7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.471 6.401 8.949 1.00 0.00 H new ATOM 910 N ILE A 62 7.659 3.241 8.666 1.00 0.00 N ATOM 911 CA ILE A 62 8.173 1.882 8.688 1.00 0.00 C ATOM 912 C ILE A 62 7.756 1.163 7.403 1.00 0.00 C ATOM 913 O ILE A 62 6.587 1.196 7.021 1.00 0.00 O ATOM 914 CB ILE A 62 7.735 1.163 9.965 1.00 0.00 C ATOM 915 CG1 ILE A 62 8.475 1.713 11.186 1.00 0.00 C ATOM 916 CG2 ILE A 62 7.903 -0.351 9.828 1.00 0.00 C ATOM 917 CD1 ILE A 62 9.988 1.547 11.030 1.00 0.00 C ATOM 0 H ILE A 62 6.644 3.314 8.732 1.00 0.00 H new ATOM 0 HA ILE A 62 9.263 1.888 8.712 1.00 0.00 H new ATOM 0 HB ILE A 62 6.673 1.357 10.118 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.233 2.768 11.318 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.139 1.194 12.084 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.584 -0.837 10.750 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.294 -0.711 8.999 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.950 -0.585 9.638 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.491 1.946 11.911 1.00 0.00 H new ATOM 0 HD12 ILE A 62 10.229 0.489 10.922 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.324 2.087 10.145 1.00 0.00 H new ATOM 929 N GLY A 63 8.734 0.530 6.772 1.00 0.00 N ATOM 930 CA GLY A 63 8.483 -0.196 5.539 1.00 0.00 C ATOM 931 C GLY A 63 7.621 -1.433 5.797 1.00 0.00 C ATOM 932 O GLY A 63 7.041 -1.577 6.872 1.00 0.00 O ATOM 0 H GLY A 63 9.702 0.505 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.983 0.457 4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.430 -0.495 5.090 1.00 0.00 H new ATOM 936 N ILE A 64 7.563 -2.295 4.792 1.00 0.00 N ATOM 937 CA ILE A 64 6.781 -3.515 4.897 1.00 0.00 C ATOM 938 C ILE A 64 7.571 -4.676 4.288 1.00 0.00 C ATOM 939 O ILE A 64 8.319 -4.487 3.329 1.00 0.00 O ATOM 940 CB ILE A 64 5.398 -3.320 4.274 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.803 -1.968 4.674 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.468 -4.483 4.628 1.00 0.00 C ATOM 943 CD1 ILE A 64 3.522 -1.679 3.887 1.00 0.00 C ATOM 0 H ILE A 64 8.045 -2.172 3.901 1.00 0.00 H new ATOM 0 HA ILE A 64 6.602 -3.764 5.943 1.00 0.00 H new ATOM 0 HB ILE A 64 5.509 -3.315 3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.587 -1.963 5.742 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.532 -1.178 4.493 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.491 -4.319 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.892 -5.415 4.253 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.358 -4.544 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.119 -0.713 4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.747 -1.660 2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.787 -2.458 4.089 1.00 0.00 H new ATOM 955 N ASN A 65 7.379 -5.850 4.870 1.00 0.00 N ATOM 956 CA ASN A 65 8.064 -7.041 4.397 1.00 0.00 C ATOM 957 C ASN A 65 7.035 -8.035 3.855 1.00 0.00 C ATOM 958 O ASN A 65 6.346 -8.702 4.625 1.00 0.00 O ATOM 959 CB ASN A 65 8.829 -7.724 5.532 1.00 0.00 C ATOM 960 CG ASN A 65 10.319 -7.835 5.200 1.00 0.00 C ATOM 961 OD1 ASN A 65 11.039 -6.854 5.127 1.00 0.00 O ATOM 962 ND2 ASN A 65 10.738 -9.082 5.006 1.00 0.00 N ATOM 0 H ASN A 65 6.759 -6.002 5.665 1.00 0.00 H new ATOM 0 HA ASN A 65 8.766 -6.740 3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.700 -7.158 6.455 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.417 -8.718 5.707 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.716 -9.262 4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.081 -9.858 5.083 1.00 0.00 H new ATOM 969 N PRO A 66 6.961 -8.104 2.499 1.00 0.00 N ATOM 970 CA PRO A 66 6.028 -9.005 1.845 1.00 0.00 C ATOM 971 C PRO A 66 6.515 -10.454 1.926 1.00 0.00 C ATOM 972 O PRO A 66 6.592 -11.145 0.912 1.00 0.00 O ATOM 973 CB PRO A 66 5.922 -8.494 0.417 1.00 0.00 C ATOM 974 CG PRO A 66 7.143 -7.617 0.197 1.00 0.00 C ATOM 975 CD PRO A 66 7.762 -7.329 1.555 1.00 0.00 C ATOM 0 HA PRO A 66 5.049 -9.016 2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.902 -9.321 -0.293 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.002 -7.927 0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.861 -8.119 -0.451 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.861 -6.688 -0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.809 -7.629 1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.729 -6.265 1.788 1.00 0.00 H new ATOM 983 N ALA A 67 6.832 -10.870 3.144 1.00 0.00 N ATOM 984 CA ALA A 67 7.309 -12.223 3.371 1.00 0.00 C ATOM 985 C ALA A 67 6.153 -13.090 3.873 1.00 0.00 C ATOM 986 O ALA A 67 6.298 -14.304 4.013 1.00 0.00 O ATOM 987 CB ALA A 67 8.483 -12.192 4.353 1.00 0.00 C ATOM 0 H ALA A 67 6.768 -10.294 3.983 1.00 0.00 H new ATOM 0 HA ALA A 67 7.671 -12.663 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.841 -13.207 4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.289 -11.588 3.937 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.155 -11.759 5.298 1.00 0.00 H new ATOM 993 N GLN A 68 5.031 -12.434 4.129 1.00 0.00 N ATOM 994 CA GLN A 68 3.850 -13.129 4.611 1.00 0.00 C ATOM 995 C GLN A 68 2.620 -12.710 3.804 1.00 0.00 C ATOM 996 O GLN A 68 2.683 -11.771 3.011 1.00 0.00 O ATOM 997 CB GLN A 68 3.638 -12.878 6.105 1.00 0.00 C ATOM 998 CG GLN A 68 3.798 -11.393 6.439 1.00 0.00 C ATOM 999 CD GLN A 68 5.091 -11.143 7.217 1.00 0.00 C ATOM 1000 OE1 GLN A 68 5.659 -12.031 7.830 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.523 -9.886 7.159 1.00 0.00 N ATOM 0 H GLN A 68 4.915 -11.427 4.012 1.00 0.00 H new ATOM 0 HA GLN A 68 4.002 -14.200 4.474 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.643 -13.215 6.397 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.355 -13.463 6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.804 -10.808 5.519 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.945 -11.055 7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.999 -9.191 6.627 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.378 -9.618 7.646 1.00 0.00 H new ATOM 1010 N THR A 69 1.529 -13.425 4.034 1.00 0.00 N ATOM 1011 CA THR A 69 0.286 -13.139 3.338 1.00 0.00 C ATOM 1012 C THR A 69 -0.161 -11.702 3.614 1.00 0.00 C ATOM 1013 O THR A 69 0.073 -11.173 4.700 1.00 0.00 O ATOM 1014 CB THR A 69 -0.745 -14.188 3.761 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.645 -14.220 5.182 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.354 -15.602 3.327 1.00 0.00 C ATOM 0 H THR A 69 1.480 -14.202 4.693 1.00 0.00 H new ATOM 0 HA THR A 69 0.413 -13.205 2.257 1.00 0.00 H new ATOM 0 HB THR A 69 -1.716 -13.934 3.336 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.371 -13.690 5.573 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.119 -16.307 3.652 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.265 -15.638 2.241 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.601 -15.870 3.778 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.797 -11.111 2.613 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.278 -9.746 2.734 1.00 0.00 C ATOM 1026 C ALA A 70 -2.034 -9.591 4.056 1.00 0.00 C ATOM 1027 O ALA A 70 -1.829 -8.620 4.782 1.00 0.00 O ATOM 1028 CB ALA A 70 -2.147 -9.401 1.523 1.00 0.00 C ATOM 0 H ALA A 70 -0.990 -11.553 1.714 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.443 -9.045 2.747 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.508 -8.377 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.557 -9.498 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.997 -10.082 1.479 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.892 -10.564 4.327 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.679 -10.549 5.549 1.00 0.00 C ATOM 1036 C GLY A 71 -2.775 -10.557 6.783 1.00 0.00 C ATOM 1037 O GLY A 71 -3.191 -10.141 7.864 1.00 0.00 O ATOM 0 H GLY A 71 -3.059 -11.368 3.722 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.315 -9.664 5.565 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.339 -11.416 5.572 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.556 -11.035 6.582 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.590 -11.102 7.665 1.00 0.00 C ATOM 1043 C ASN A 72 0.296 -9.856 7.631 1.00 0.00 C ATOM 1044 O ASN A 72 0.999 -9.563 8.597 1.00 0.00 O ATOM 1045 CB ASN A 72 0.313 -12.329 7.521 1.00 0.00 C ATOM 1046 CG ASN A 72 -0.090 -13.426 8.508 1.00 0.00 C ATOM 1047 OD1 ASN A 72 -0.784 -13.194 9.485 1.00 0.00 O ATOM 1048 ND2 ASN A 72 0.382 -14.631 8.201 1.00 0.00 N ATOM 0 H ASN A 72 -1.215 -11.380 5.685 1.00 0.00 H new ATOM 0 HA ASN A 72 -1.140 -11.166 8.604 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.253 -12.712 6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.351 -12.043 7.693 1.00 0.00 H new ATOM 0 HD21 ASN A 72 0.169 -15.430 8.798 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.957 -14.756 7.368 1.00 0.00 H new ATOM 1055 N VAL A 73 0.233 -9.154 6.509 1.00 0.00 N ATOM 1056 CA VAL A 73 1.021 -7.946 6.337 1.00 0.00 C ATOM 1057 C VAL A 73 0.180 -6.732 6.737 1.00 0.00 C ATOM 1058 O VAL A 73 0.649 -5.861 7.468 1.00 0.00 O ATOM 1059 CB VAL A 73 1.546 -7.863 4.902 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.103 -6.470 4.601 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.597 -8.943 4.639 1.00 0.00 C ATOM 0 H VAL A 73 -0.352 -9.399 5.710 1.00 0.00 H new ATOM 0 HA VAL A 73 1.895 -7.965 6.988 1.00 0.00 H new ATOM 0 HB VAL A 73 0.708 -8.041 4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.469 -6.439 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.315 -5.728 4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.922 -6.250 5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.953 -8.861 3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.434 -8.811 5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.154 -9.927 4.792 1.00 0.00 H new ATOM 1071 N PHE A 74 -1.048 -6.713 6.240 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.959 -5.621 6.536 1.00 0.00 C ATOM 1073 C PHE A 74 -2.407 -5.662 7.998 1.00 0.00 C ATOM 1074 O PHE A 74 -3.018 -4.715 8.491 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.182 -5.802 5.635 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.382 -6.442 6.336 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.245 -7.644 6.957 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.586 -5.809 6.338 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.359 -8.238 7.607 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.699 -6.403 6.988 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.562 -7.605 7.609 1.00 0.00 C ATOM 0 H PHE A 74 -1.433 -7.437 5.634 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.464 -4.666 6.362 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.479 -4.829 5.244 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.903 -6.418 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.289 -8.147 6.956 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.695 -4.854 5.845 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.251 -9.193 8.100 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.655 -5.900 6.989 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.409 -8.057 8.104 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.086 -6.770 8.651 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.447 -6.947 10.047 1.00 0.00 C ATOM 1093 C LEU A 75 -1.304 -6.448 10.933 1.00 0.00 C ATOM 1094 O LEU A 75 -1.530 -5.695 11.880 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.847 -8.399 10.317 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.540 -8.666 11.655 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -5.058 -8.740 11.479 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.978 -9.923 12.322 1.00 0.00 C ATOM 0 H LEU A 75 -1.580 -7.554 8.239 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.324 -6.348 10.292 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.509 -8.728 9.516 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.951 -9.018 10.265 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.333 -7.829 12.321 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.527 -8.931 12.444 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.424 -7.795 11.078 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.305 -9.547 10.790 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.487 -10.090 13.271 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.135 -10.782 11.670 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.911 -9.794 12.501 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.101 -6.888 10.595 1.00 0.00 N ATOM 1111 CA LYS A 76 1.078 -6.496 11.348 1.00 0.00 C ATOM 1112 C LYS A 76 1.403 -5.031 11.052 1.00 0.00 C ATOM 1113 O LYS A 76 1.960 -4.332 11.898 1.00 0.00 O ATOM 1114 CB LYS A 76 2.238 -7.452 11.063 1.00 0.00 C ATOM 1115 CG LYS A 76 2.821 -7.207 9.670 1.00 0.00 C ATOM 1116 CD LYS A 76 4.321 -7.509 9.642 1.00 0.00 C ATOM 1117 CE LYS A 76 4.607 -8.918 10.166 1.00 0.00 C ATOM 1118 NZ LYS A 76 6.031 -9.051 10.545 1.00 0.00 N ATOM 0 H LYS A 76 0.083 -7.512 9.810 1.00 0.00 H new ATOM 0 HA LYS A 76 0.888 -6.571 12.419 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.016 -7.320 11.815 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.892 -8.483 11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.307 -7.834 8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.649 -6.171 9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.696 -7.413 8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.854 -6.777 10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.974 -9.127 11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.358 -9.654 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.208 -10.013 10.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.630 -8.872 9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.258 -8.361 11.290 1.00 0.00 H new ATOM 1132 N HIS A 77 1.041 -4.608 9.850 1.00 0.00 N ATOM 1133 CA HIS A 77 1.286 -3.238 9.432 1.00 0.00 C ATOM 1134 C HIS A 77 0.006 -2.416 9.592 1.00 0.00 C ATOM 1135 O HIS A 77 0.024 -1.342 10.191 1.00 0.00 O ATOM 1136 CB HIS A 77 1.845 -3.196 8.009 1.00 0.00 C ATOM 1137 CG HIS A 77 3.193 -3.860 7.858 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.383 -3.215 8.145 1.00 0.00 N ATOM 1139 CD2 HIS A 77 3.526 -5.117 7.448 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.381 -4.055 7.914 1.00 0.00 C ATOM 1141 NE2 HIS A 77 4.848 -5.234 7.482 1.00 0.00 N ATOM 0 H HIS A 77 0.579 -5.190 9.151 1.00 0.00 H new ATOM 0 HA HIS A 77 2.046 -2.789 10.071 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.136 -3.680 7.337 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.926 -2.156 7.692 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.832 -5.887 7.147 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.432 -3.844 8.045 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.378 -6.068 7.227 1.00 0.00 H new ATOM 1149 N GLY A 78 -1.075 -2.952 9.045 1.00 0.00 N ATOM 1150 CA GLY A 78 -2.362 -2.281 9.119 1.00 0.00 C ATOM 1151 C GLY A 78 -2.960 -2.086 7.724 1.00 0.00 C ATOM 1152 O GLY A 78 -2.408 -2.567 6.735 1.00 0.00 O ATOM 0 H GLY A 78 -1.086 -3.843 8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.046 -2.866 9.733 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.244 -1.313 9.607 1.00 0.00 H new ATOM 1156 N SER A 79 -4.081 -1.381 7.689 1.00 0.00 N ATOM 1157 CA SER A 79 -4.760 -1.117 6.431 1.00 0.00 C ATOM 1158 C SER A 79 -4.469 0.313 5.970 1.00 0.00 C ATOM 1159 O SER A 79 -4.323 0.566 4.775 1.00 0.00 O ATOM 1160 CB SER A 79 -6.268 -1.336 6.563 1.00 0.00 C ATOM 1161 OG SER A 79 -6.945 -0.153 6.978 1.00 0.00 O ATOM 0 H SER A 79 -4.536 -0.984 8.511 1.00 0.00 H new ATOM 0 HA SER A 79 -4.383 -1.816 5.685 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.671 -1.668 5.606 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.457 -2.133 7.282 1.00 0.00 H new ATOM 0 HG SER A 79 -7.906 -0.334 7.049 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.395 1.210 6.942 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.125 2.608 6.650 1.00 0.00 C ATOM 1169 C GLU A 80 -2.642 2.807 6.331 1.00 0.00 C ATOM 1170 O GLU A 80 -1.808 2.845 7.236 1.00 0.00 O ATOM 1171 CB GLU A 80 -4.561 3.504 7.811 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.082 3.481 7.980 1.00 0.00 C ATOM 1173 CD GLU A 80 -6.470 3.562 9.457 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -6.377 2.511 10.127 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -6.851 4.674 9.884 1.00 0.00 O ATOM 0 H GLU A 80 -4.517 0.996 7.932 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.706 2.895 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.084 3.169 8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.227 4.526 7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.525 4.317 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.486 2.568 7.544 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.357 2.928 5.043 1.00 0.00 N ATOM 1183 CA LEU A 81 -0.989 3.122 4.594 1.00 0.00 C ATOM 1184 C LEU A 81 -0.977 4.099 3.416 1.00 0.00 C ATOM 1185 O LEU A 81 -2.002 4.311 2.771 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.331 1.776 4.283 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.822 0.584 5.107 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.567 -0.733 4.372 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -0.199 0.590 6.505 1.00 0.00 C ATOM 0 H LEU A 81 -3.050 2.895 4.296 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.388 3.569 5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.488 1.552 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.744 1.877 4.431 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.900 0.678 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.925 -1.564 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.096 -0.726 3.419 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.502 -0.849 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.565 -0.268 7.070 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.886 0.533 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.474 1.509 7.022 1.00 0.00 H new ATOM 1201 N ARG A 82 0.195 4.667 3.172 1.00 0.00 N ATOM 1202 CA ARG A 82 0.354 5.616 2.083 1.00 0.00 C ATOM 1203 C ARG A 82 1.344 5.077 1.049 1.00 0.00 C ATOM 1204 O ARG A 82 2.371 4.503 1.408 1.00 0.00 O ATOM 1205 CB ARG A 82 0.852 6.968 2.599 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.112 7.548 3.636 1.00 0.00 C ATOM 1207 CD ARG A 82 0.646 8.057 4.864 1.00 0.00 C ATOM 1208 NE ARG A 82 -0.297 8.689 5.814 1.00 0.00 N ATOM 1209 CZ ARG A 82 -0.691 9.968 5.743 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -0.227 10.759 4.766 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -1.549 10.456 6.648 1.00 0.00 N ATOM 0 H ARG A 82 1.043 4.488 3.710 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.622 5.754 1.619 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.841 6.850 3.042 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.957 7.663 1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.682 8.364 3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.830 6.785 3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.165 7.231 5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.406 8.777 4.560 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.670 8.115 6.570 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.426 10.388 4.076 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.527 11.732 4.712 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -1.903 9.854 7.392 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -1.849 11.429 6.594 1.00 0.00 H new ATOM 1225 N ILE A 83 1.000 5.279 -0.215 1.00 0.00 N ATOM 1226 CA ILE A 83 1.845 4.820 -1.303 1.00 0.00 C ATOM 1227 C ILE A 83 2.738 5.971 -1.770 1.00 0.00 C ATOM 1228 O ILE A 83 2.273 6.886 -2.448 1.00 0.00 O ATOM 1229 CB ILE A 83 0.997 4.208 -2.420 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.834 3.274 -3.296 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.303 5.296 -3.241 1.00 0.00 C ATOM 1232 CD1 ILE A 83 0.950 2.238 -3.994 1.00 0.00 C ATOM 0 H ILE A 83 0.147 5.755 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 83 2.504 4.022 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 83 0.215 3.603 -1.962 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.375 3.857 -4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.580 2.767 -2.684 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.293 4.834 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.346 5.883 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.053 5.948 -3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.570 1.587 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.429 1.641 -3.246 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.221 2.747 -4.624 1.00 0.00 H new ATOM 1244 N ILE A 84 4.004 5.888 -1.390 1.00 0.00 N ATOM 1245 CA ILE A 84 4.966 6.912 -1.761 1.00 0.00 C ATOM 1246 C ILE A 84 5.882 6.370 -2.861 1.00 0.00 C ATOM 1247 O ILE A 84 6.078 5.161 -2.970 1.00 0.00 O ATOM 1248 CB ILE A 84 5.718 7.414 -0.527 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.705 6.360 -0.020 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.744 7.859 0.565 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.141 6.725 -0.401 1.00 0.00 C ATOM 0 H ILE A 84 4.386 5.127 -0.829 1.00 0.00 H new ATOM 0 HA ILE A 84 4.455 7.784 -2.171 1.00 0.00 H new ATOM 0 HB ILE A 84 6.301 8.289 -0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.624 6.272 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.450 5.387 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.304 8.211 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.117 8.666 0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.116 7.018 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.822 5.960 -0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.225 6.788 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.401 7.687 0.040 1.00 0.00 H new ATOM 1263 N PRO A 85 6.431 7.316 -3.669 1.00 0.00 N ATOM 1264 CA PRO A 85 7.321 6.947 -4.756 1.00 0.00 C ATOM 1265 C PRO A 85 8.700 6.549 -4.226 1.00 0.00 C ATOM 1266 O PRO A 85 9.282 7.259 -3.407 1.00 0.00 O ATOM 1267 CB PRO A 85 7.362 8.166 -5.663 1.00 0.00 C ATOM 1268 CG PRO A 85 6.870 9.330 -4.819 1.00 0.00 C ATOM 1269 CD PRO A 85 6.220 8.758 -3.569 1.00 0.00 C ATOM 0 HA PRO A 85 6.974 6.071 -5.304 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.373 8.348 -6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.728 8.023 -6.538 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.699 9.985 -4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.155 9.932 -5.379 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.675 9.163 -2.665 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.158 9.001 -3.528 1.00 0.00 H new ATOM 1277 N ARG A 86 9.183 5.416 -4.714 1.00 0.00 N ATOM 1278 CA ARG A 86 10.482 4.916 -4.298 1.00 0.00 C ATOM 1279 C ARG A 86 11.500 6.058 -4.250 1.00 0.00 C ATOM 1280 O ARG A 86 12.085 6.329 -3.202 1.00 0.00 O ATOM 1281 CB ARG A 86 10.987 3.833 -5.254 1.00 0.00 C ATOM 1282 CG ARG A 86 10.260 2.509 -5.015 1.00 0.00 C ATOM 1283 CD ARG A 86 11.255 1.358 -4.852 1.00 0.00 C ATOM 1284 NE ARG A 86 11.784 1.338 -3.470 1.00 0.00 N ATOM 1285 CZ ARG A 86 12.951 0.781 -3.120 1.00 0.00 C ATOM 1286 NH1 ARG A 86 13.718 0.194 -4.048 1.00 0.00 N ATOM 1287 NH2 ARG A 86 13.351 0.810 -1.841 1.00 0.00 N ATOM 0 H ARG A 86 8.698 4.830 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 86 10.368 4.484 -3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.836 4.154 -6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.059 3.693 -5.117 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.639 2.587 -4.122 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.592 2.301 -5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.767 0.410 -5.077 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.074 1.471 -5.562 1.00 0.00 H new ATOM 0 HE ARG A 86 11.225 1.776 -2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 86 13.414 0.171 -5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 86 14.607 -0.230 -3.781 1.00 0.00 H new ATOM 0 HH21 ARG A 86 12.767 1.256 -1.134 1.00 0.00 H new ATOM 0 HH22 ARG A 86 14.240 0.386 -1.575 1.00 0.00 H new