USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 557 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 NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 67 GLN : amide:sc= 0.833 K(o=1.9,f=-2.3!) USER MOD Set 1.2: A 69 TYR OH : rot 172:sc= 1.07 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 20:sc= 0.0259 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= -0.0223 (180deg=-0.182) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0265) USER MOD Single : A 17 LYS NZ :NH3+ -145:sc= -0.154 (180deg=-1.06) USER MOD Single : A 22 LYS NZ :NH3+ 169:sc= -0.0138 (180deg=-0.139) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 150:sc= -0.178 (180deg=-1.25) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0.245 K(o=0.24,f=-0.34) USER MOD Single : A 41 SER OG : rot 58:sc= 0.737 USER MOD Single : A 45 TYR OH : rot 96:sc= 0.113 USER MOD Single : A 48 HIS : no HE2:sc= -0.546 X(o=-0.55,f=-0.77) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= -0.0784 (180deg=-0.641) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0616 USER MOD Single : A 55 ASN : amide:sc=-0.00146 K(o=-0.0015,f=-1.3) USER MOD Single : A 58 ASN : amide:sc= -0.0539 X(o=-0.054,f=-0.052) USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= -0.0543 (180deg=-0.394) USER MOD Single : A 64 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.094) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -46.590 -12.393 7.414 1.00 0.00 N ATOM 2 CA GLY A 1 -45.249 -11.941 7.093 1.00 0.00 C ATOM 3 C GLY A 1 -45.121 -10.431 7.134 1.00 0.00 C ATOM 4 O GLY A 1 -45.845 -9.720 6.437 1.00 0.00 O ATOM 0 H1 GLY A 1 -46.626 -13.432 7.372 1.00 0.00 H new ATOM 0 H2 GLY A 1 -46.843 -12.076 8.372 1.00 0.00 H new ATOM 0 H3 GLY A 1 -47.264 -11.996 6.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -44.542 -12.382 7.796 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -44.976 -12.299 6.100 1.00 0.00 H new ATOM 8 N SER A 2 -44.198 -9.939 7.955 1.00 0.00 N ATOM 9 CA SER A 2 -43.981 -8.503 8.088 1.00 0.00 C ATOM 10 C SER A 2 -42.524 -8.145 7.810 1.00 0.00 C ATOM 11 O SER A 2 -41.680 -8.190 8.705 1.00 0.00 O ATOM 12 CB SER A 2 -44.374 -8.035 9.491 1.00 0.00 C ATOM 13 OG SER A 2 -45.639 -8.552 9.865 1.00 0.00 O ATOM 0 H SER A 2 -43.589 -10.513 8.538 1.00 0.00 H new ATOM 0 HA SER A 2 -44.608 -7.996 7.354 1.00 0.00 H new ATOM 0 HB2 SER A 2 -43.620 -8.356 10.209 1.00 0.00 H new ATOM 0 HB3 SER A 2 -44.400 -6.946 9.521 1.00 0.00 H new ATOM 0 HG SER A 2 -45.867 -8.240 10.766 1.00 0.00 H new ATOM 19 N SER A 3 -42.237 -7.790 6.562 1.00 0.00 N ATOM 20 CA SER A 3 -40.882 -7.428 6.163 1.00 0.00 C ATOM 21 C SER A 3 -40.900 -6.282 5.155 1.00 0.00 C ATOM 22 O SER A 3 -41.493 -6.393 4.084 1.00 0.00 O ATOM 23 CB SER A 3 -40.163 -8.638 5.564 1.00 0.00 C ATOM 24 OG SER A 3 -39.647 -9.480 6.580 1.00 0.00 O ATOM 0 H SER A 3 -42.924 -7.745 5.810 1.00 0.00 H new ATOM 0 HA SER A 3 -40.344 -7.099 7.052 1.00 0.00 H new ATOM 0 HB2 SER A 3 -40.854 -9.201 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.351 -8.300 4.920 1.00 0.00 H new ATOM 0 HG SER A 3 -40.113 -9.299 7.423 1.00 0.00 H new ATOM 30 N GLY A 4 -40.244 -5.181 5.509 1.00 0.00 N ATOM 31 CA GLY A 4 -40.196 -4.031 4.626 1.00 0.00 C ATOM 32 C GLY A 4 -38.791 -3.488 4.455 1.00 0.00 C ATOM 33 O GLY A 4 -38.035 -3.962 3.607 1.00 0.00 O ATOM 0 H GLY A 4 -39.745 -5.065 6.391 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -40.596 -4.309 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -40.840 -3.246 5.022 1.00 0.00 H new ATOM 37 N SER A 5 -38.441 -2.491 5.261 1.00 0.00 N ATOM 38 CA SER A 5 -37.119 -1.880 5.191 1.00 0.00 C ATOM 39 C SER A 5 -36.096 -2.708 5.963 1.00 0.00 C ATOM 40 O SER A 5 -35.761 -2.394 7.105 1.00 0.00 O ATOM 41 CB SER A 5 -37.162 -0.456 5.747 1.00 0.00 C ATOM 42 OG SER A 5 -36.038 0.294 5.317 1.00 0.00 O ATOM 0 H SER A 5 -39.054 -2.089 5.970 1.00 0.00 H new ATOM 0 HA SER A 5 -36.817 -1.845 4.144 1.00 0.00 H new ATOM 0 HB2 SER A 5 -38.078 0.037 5.422 1.00 0.00 H new ATOM 0 HB3 SER A 5 -37.187 -0.488 6.836 1.00 0.00 H new ATOM 0 HG SER A 5 -36.090 1.201 5.685 1.00 0.00 H new ATOM 48 N SER A 6 -35.604 -3.769 5.331 1.00 0.00 N ATOM 49 CA SER A 6 -34.622 -4.646 5.959 1.00 0.00 C ATOM 50 C SER A 6 -33.215 -4.332 5.458 1.00 0.00 C ATOM 51 O SER A 6 -32.387 -3.798 6.194 1.00 0.00 O ATOM 52 CB SER A 6 -34.961 -6.111 5.677 1.00 0.00 C ATOM 53 OG SER A 6 -35.953 -6.586 6.571 1.00 0.00 O ATOM 0 H SER A 6 -35.869 -4.042 4.385 1.00 0.00 H new ATOM 0 HA SER A 6 -34.653 -4.474 7.035 1.00 0.00 H new ATOM 0 HB2 SER A 6 -35.312 -6.215 4.650 1.00 0.00 H new ATOM 0 HB3 SER A 6 -34.062 -6.720 5.770 1.00 0.00 H new ATOM 0 HG SER A 6 -36.153 -7.524 6.369 1.00 0.00 H new ATOM 59 N GLY A 7 -32.952 -4.670 4.199 1.00 0.00 N ATOM 60 CA GLY A 7 -31.646 -4.417 3.621 1.00 0.00 C ATOM 61 C GLY A 7 -31.658 -4.489 2.107 1.00 0.00 C ATOM 62 O GLY A 7 -31.429 -5.550 1.527 1.00 0.00 O ATOM 0 H GLY A 7 -33.620 -5.114 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.299 -3.432 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.933 -5.143 4.011 1.00 0.00 H new ATOM 66 N ASP A 8 -31.928 -3.357 1.465 1.00 0.00 N ATOM 67 CA ASP A 8 -31.971 -3.295 0.009 1.00 0.00 C ATOM 68 C ASP A 8 -30.669 -2.729 -0.549 1.00 0.00 C ATOM 69 O ASP A 8 -30.222 -1.656 -0.142 1.00 0.00 O ATOM 70 CB ASP A 8 -33.153 -2.441 -0.453 1.00 0.00 C ATOM 71 CG ASP A 8 -32.994 -0.981 -0.075 1.00 0.00 C ATOM 72 OD1 ASP A 8 -32.651 -0.705 1.094 1.00 0.00 O ATOM 73 OD2 ASP A 8 -33.213 -0.115 -0.947 1.00 0.00 O ATOM 0 H ASP A 8 -32.120 -2.470 1.931 1.00 0.00 H new ATOM 0 HA ASP A 8 -32.097 -4.309 -0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -33.257 -2.524 -1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -34.072 -2.829 -0.014 1.00 0.00 H new ATOM 78 N CYS A 9 -30.065 -3.457 -1.482 1.00 0.00 N ATOM 79 CA CYS A 9 -28.813 -3.028 -2.095 1.00 0.00 C ATOM 80 C CYS A 9 -29.071 -2.026 -3.215 1.00 0.00 C ATOM 81 O CYS A 9 -28.962 -2.358 -4.396 1.00 0.00 O ATOM 82 CB CYS A 9 -28.048 -4.235 -2.640 1.00 0.00 C ATOM 83 SG CYS A 9 -26.288 -3.929 -2.919 1.00 0.00 S ATOM 0 H CYS A 9 -30.422 -4.347 -1.830 1.00 0.00 H new ATOM 0 HA CYS A 9 -28.210 -2.541 -1.329 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -28.155 -5.065 -1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -28.505 -4.547 -3.579 1.00 0.00 H new ATOM 0 HG CYS A 9 -25.727 -5.008 -3.378 1.00 0.00 H new ATOM 89 N TYR A 10 -29.415 -0.800 -2.837 1.00 0.00 N ATOM 90 CA TYR A 10 -29.693 0.250 -3.810 1.00 0.00 C ATOM 91 C TYR A 10 -28.423 1.020 -4.159 1.00 0.00 C ATOM 92 O TYR A 10 -28.290 1.558 -5.258 1.00 0.00 O ATOM 93 CB TYR A 10 -30.752 1.211 -3.266 1.00 0.00 C ATOM 94 CG TYR A 10 -31.238 2.216 -4.286 1.00 0.00 C ATOM 95 CD1 TYR A 10 -32.319 1.932 -5.110 1.00 0.00 C ATOM 96 CD2 TYR A 10 -30.616 3.451 -4.424 1.00 0.00 C ATOM 97 CE1 TYR A 10 -32.766 2.847 -6.043 1.00 0.00 C ATOM 98 CE2 TYR A 10 -31.057 4.373 -5.353 1.00 0.00 C ATOM 99 CZ TYR A 10 -32.132 4.066 -6.161 1.00 0.00 C ATOM 100 OH TYR A 10 -32.574 4.981 -7.088 1.00 0.00 O ATOM 0 H TYR A 10 -29.508 -0.509 -1.864 1.00 0.00 H new ATOM 0 HA TYR A 10 -30.071 -0.222 -4.717 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -31.602 0.634 -2.903 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -30.340 1.745 -2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -32.819 0.979 -5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -29.773 3.694 -3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -33.608 2.609 -6.677 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -30.563 5.329 -5.446 1.00 0.00 H new ATOM 0 HH TYR A 10 -32.020 5.788 -7.041 1.00 0.00 H new ATOM 110 N LYS A 11 -27.490 1.068 -3.214 1.00 0.00 N ATOM 111 CA LYS A 11 -26.228 1.769 -3.419 1.00 0.00 C ATOM 112 C LYS A 11 -25.146 0.811 -3.908 1.00 0.00 C ATOM 113 O LYS A 11 -25.116 -0.356 -3.521 1.00 0.00 O ATOM 114 CB LYS A 11 -25.778 2.443 -2.121 1.00 0.00 C ATOM 115 CG LYS A 11 -25.442 1.461 -1.011 1.00 0.00 C ATOM 116 CD LYS A 11 -25.029 2.180 0.262 1.00 0.00 C ATOM 117 CE LYS A 11 -24.710 1.197 1.378 1.00 0.00 C ATOM 118 NZ LYS A 11 -23.554 0.323 1.035 1.00 0.00 N ATOM 0 H LYS A 11 -27.584 0.629 -2.298 1.00 0.00 H new ATOM 0 HA LYS A 11 -26.385 2.532 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -24.903 3.060 -2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -26.566 3.112 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -26.307 0.829 -0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -24.636 0.804 -1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -24.156 2.802 0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -25.830 2.847 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -24.491 1.746 2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -25.585 0.579 1.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -23.240 -0.187 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -23.841 -0.362 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -22.773 0.907 0.673 1.00 0.00 H new ATOM 132 N ASN A 12 -24.259 1.314 -4.761 1.00 0.00 N ATOM 133 CA ASN A 12 -23.175 0.502 -5.302 1.00 0.00 C ATOM 134 C ASN A 12 -21.852 1.260 -5.253 1.00 0.00 C ATOM 135 O ASN A 12 -21.658 2.241 -5.972 1.00 0.00 O ATOM 136 CB ASN A 12 -23.487 0.091 -6.743 1.00 0.00 C ATOM 137 CG ASN A 12 -22.649 -1.086 -7.203 1.00 0.00 C ATOM 138 OD1 ASN A 12 -22.891 -2.226 -6.808 1.00 0.00 O ATOM 139 ND2 ASN A 12 -21.657 -0.813 -8.043 1.00 0.00 N ATOM 0 H ASN A 12 -24.270 2.279 -5.092 1.00 0.00 H new ATOM 0 HA ASN A 12 -23.084 -0.394 -4.688 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -24.543 -0.165 -6.824 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -23.312 0.939 -7.406 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -21.059 -1.564 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -21.493 0.148 -8.344 1.00 0.00 H new ATOM 146 N PHE A 13 -20.943 0.798 -4.401 1.00 0.00 N ATOM 147 CA PHE A 13 -19.637 1.432 -4.257 1.00 0.00 C ATOM 148 C PHE A 13 -18.584 0.416 -3.827 1.00 0.00 C ATOM 149 O PHE A 13 -18.861 -0.488 -3.039 1.00 0.00 O ATOM 150 CB PHE A 13 -19.709 2.571 -3.238 1.00 0.00 C ATOM 151 CG PHE A 13 -18.416 3.319 -3.084 1.00 0.00 C ATOM 152 CD1 PHE A 13 -17.475 2.917 -2.150 1.00 0.00 C ATOM 153 CD2 PHE A 13 -18.142 4.426 -3.872 1.00 0.00 C ATOM 154 CE1 PHE A 13 -16.284 3.603 -2.006 1.00 0.00 C ATOM 155 CE2 PHE A 13 -16.953 5.116 -3.732 1.00 0.00 C ATOM 156 CZ PHE A 13 -16.023 4.705 -2.797 1.00 0.00 C ATOM 0 H PHE A 13 -21.086 -0.013 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 13 -19.350 1.839 -5.227 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -20.490 3.269 -3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -20.002 2.164 -2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -17.675 2.058 -1.527 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -18.866 4.753 -4.604 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -15.558 3.278 -1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -16.751 5.976 -4.353 1.00 0.00 H new ATOM 0 HZ PHE A 13 -15.094 5.244 -2.685 1.00 0.00 H new ATOM 166 N VAL A 14 -17.372 0.570 -4.352 1.00 0.00 N ATOM 167 CA VAL A 14 -16.276 -0.333 -4.023 1.00 0.00 C ATOM 168 C VAL A 14 -15.063 0.438 -3.514 1.00 0.00 C ATOM 169 O VAL A 14 -14.747 1.518 -4.012 1.00 0.00 O ATOM 170 CB VAL A 14 -15.858 -1.176 -5.243 1.00 0.00 C ATOM 171 CG1 VAL A 14 -15.280 -0.289 -6.334 1.00 0.00 C ATOM 172 CG2 VAL A 14 -14.861 -2.249 -4.832 1.00 0.00 C ATOM 0 H VAL A 14 -17.125 1.312 -5.007 1.00 0.00 H new ATOM 0 HA VAL A 14 -16.638 -0.997 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 14 -16.744 -1.669 -5.642 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -14.991 -0.903 -7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -16.030 0.438 -6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.405 0.235 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.576 -2.835 -5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.975 -1.778 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.317 -2.903 -4.089 1.00 0.00 H new ATOM 182 N ALA A 15 -14.387 -0.125 -2.518 1.00 0.00 N ATOM 183 CA ALA A 15 -13.207 0.509 -1.942 1.00 0.00 C ATOM 184 C ALA A 15 -12.011 -0.437 -1.963 1.00 0.00 C ATOM 185 O ALA A 15 -12.056 -1.525 -1.388 1.00 0.00 O ATOM 186 CB ALA A 15 -13.495 0.967 -0.520 1.00 0.00 C ATOM 0 H ALA A 15 -14.636 -1.018 -2.093 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.960 1.380 -2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.605 1.438 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.316 1.684 -0.528 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.770 0.107 0.090 1.00 0.00 H new ATOM 192 N LYS A 16 -10.942 -0.017 -2.630 1.00 0.00 N ATOM 193 CA LYS A 16 -9.732 -0.825 -2.727 1.00 0.00 C ATOM 194 C LYS A 16 -9.220 -1.206 -1.341 1.00 0.00 C ATOM 195 O LYS A 16 -9.033 -0.347 -0.480 1.00 0.00 O ATOM 196 CB LYS A 16 -8.646 -0.067 -3.493 1.00 0.00 C ATOM 197 CG LYS A 16 -8.654 -0.338 -4.987 1.00 0.00 C ATOM 198 CD LYS A 16 -8.151 0.861 -5.774 1.00 0.00 C ATOM 199 CE LYS A 16 -7.796 0.480 -7.203 1.00 0.00 C ATOM 200 NZ LYS A 16 -6.833 1.440 -7.810 1.00 0.00 N ATOM 0 H LYS A 16 -10.889 0.880 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.978 -1.738 -3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.774 1.002 -3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.671 -0.338 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.030 -1.205 -5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.666 -0.586 -5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.915 1.638 -5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.275 1.281 -5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.367 -0.522 -7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.703 0.446 -7.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.656 1.175 -8.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.231 2.400 -7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.939 1.417 -7.280 1.00 0.00 H new ATOM 214 N LYS A 17 -8.995 -2.499 -1.133 1.00 0.00 N ATOM 215 CA LYS A 17 -8.502 -2.994 0.147 1.00 0.00 C ATOM 216 C LYS A 17 -6.983 -3.139 0.125 1.00 0.00 C ATOM 217 O LYS A 17 -6.405 -3.575 -0.871 1.00 0.00 O ATOM 218 CB LYS A 17 -9.149 -4.340 0.480 1.00 0.00 C ATOM 219 CG LYS A 17 -10.346 -4.227 1.407 1.00 0.00 C ATOM 220 CD LYS A 17 -11.361 -5.326 1.144 1.00 0.00 C ATOM 221 CE LYS A 17 -10.798 -6.698 1.481 1.00 0.00 C ATOM 222 NZ LYS A 17 -10.089 -7.307 0.322 1.00 0.00 N ATOM 0 H LYS A 17 -9.146 -3.223 -1.835 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.769 -2.270 0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.462 -4.822 -0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.403 -4.988 0.941 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.011 -4.280 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.819 -3.254 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.257 -5.144 1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.661 -5.302 0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.111 -6.612 2.323 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.608 -7.355 1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.237 -8.336 0.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.462 -6.907 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.071 -7.104 0.392 1.00 0.00 H new ATOM 236 N CYS A 18 -6.343 -2.772 1.230 1.00 0.00 N ATOM 237 CA CYS A 18 -4.892 -2.862 1.340 1.00 0.00 C ATOM 238 C CYS A 18 -4.404 -4.259 0.967 1.00 0.00 C ATOM 239 O CYS A 18 -5.099 -5.250 1.189 1.00 0.00 O ATOM 240 CB CYS A 18 -4.444 -2.516 2.761 1.00 0.00 C ATOM 241 SG CYS A 18 -2.638 -2.387 2.961 1.00 0.00 S ATOM 0 H CYS A 18 -6.807 -2.409 2.063 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.455 -2.145 0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.900 -1.570 3.054 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.821 -3.277 3.445 1.00 0.00 H new ATOM 246 N ALA A 19 -3.204 -4.329 0.400 1.00 0.00 N ATOM 247 CA ALA A 19 -2.622 -5.604 -0.001 1.00 0.00 C ATOM 248 C ALA A 19 -1.697 -6.150 1.081 1.00 0.00 C ATOM 249 O ALA A 19 -0.789 -6.931 0.799 1.00 0.00 O ATOM 250 CB ALA A 19 -1.869 -5.451 -1.315 1.00 0.00 C ATOM 0 H ALA A 19 -2.616 -3.518 0.208 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.434 -6.317 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.440 -6.411 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.556 -5.114 -2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.071 -4.718 -1.194 1.00 0.00 H new ATOM 256 N GLY A 20 -1.932 -5.732 2.321 1.00 0.00 N ATOM 257 CA GLY A 20 -1.111 -6.188 3.426 1.00 0.00 C ATOM 258 C GLY A 20 -1.935 -6.619 4.623 1.00 0.00 C ATOM 259 O GLY A 20 -1.664 -7.654 5.233 1.00 0.00 O ATOM 0 H GLY A 20 -2.677 -5.085 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.493 -7.023 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.433 -5.388 3.725 1.00 0.00 H new ATOM 263 N CYS A 21 -2.945 -5.824 4.961 1.00 0.00 N ATOM 264 CA CYS A 21 -3.812 -6.127 6.093 1.00 0.00 C ATOM 265 C CYS A 21 -5.214 -6.500 5.621 1.00 0.00 C ATOM 266 O CYS A 21 -6.056 -6.923 6.413 1.00 0.00 O ATOM 267 CB CYS A 21 -3.883 -4.929 7.042 1.00 0.00 C ATOM 268 SG CYS A 21 -4.390 -3.374 6.240 1.00 0.00 S ATOM 0 H CYS A 21 -3.183 -4.964 4.466 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.389 -6.979 6.625 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.584 -5.156 7.845 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.906 -4.786 7.503 1.00 0.00 H new ATOM 273 N LYS A 22 -5.458 -6.339 4.325 1.00 0.00 N ATOM 274 CA LYS A 22 -6.756 -6.660 3.744 1.00 0.00 C ATOM 275 C LYS A 22 -7.864 -5.847 4.408 1.00 0.00 C ATOM 276 O LYS A 22 -8.820 -6.406 4.944 1.00 0.00 O ATOM 277 CB LYS A 22 -7.049 -8.155 3.891 1.00 0.00 C ATOM 278 CG LYS A 22 -6.393 -9.010 2.821 1.00 0.00 C ATOM 279 CD LYS A 22 -4.950 -9.334 3.172 1.00 0.00 C ATOM 280 CE LYS A 22 -4.355 -10.348 2.208 1.00 0.00 C ATOM 281 NZ LYS A 22 -4.460 -9.896 0.793 1.00 0.00 N ATOM 0 H LYS A 22 -4.773 -5.988 3.656 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.725 -6.405 2.685 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.708 -8.489 4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.127 -8.311 3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.955 -9.936 2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.427 -8.488 1.865 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.356 -8.420 3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.901 -9.725 4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.308 -10.516 2.459 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.868 -11.303 2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.885 -10.515 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.453 -9.938 0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.115 -8.918 0.714 1.00 0.00 H new ATOM 295 N ASN A 23 -7.729 -4.526 4.366 1.00 0.00 N ATOM 296 CA ASN A 23 -8.719 -3.636 4.962 1.00 0.00 C ATOM 297 C ASN A 23 -8.972 -2.427 4.068 1.00 0.00 C ATOM 298 O ASN A 23 -8.169 -2.087 3.198 1.00 0.00 O ATOM 299 CB ASN A 23 -8.253 -3.174 6.344 1.00 0.00 C ATOM 300 CG ASN A 23 -8.674 -4.129 7.445 1.00 0.00 C ATOM 301 OD1 ASN A 23 -9.865 -4.343 7.674 1.00 0.00 O ATOM 302 ND2 ASN A 23 -7.697 -4.706 8.133 1.00 0.00 N ATOM 0 H ASN A 23 -6.943 -4.048 3.925 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.652 -4.189 5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.167 -3.078 6.345 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.660 -2.184 6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.919 -5.357 8.886 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.724 -4.499 7.908 1.00 0.00 H new ATOM 309 N PRO A 24 -10.115 -1.759 4.285 1.00 0.00 N ATOM 310 CA PRO A 24 -10.500 -0.576 3.511 1.00 0.00 C ATOM 311 C PRO A 24 -9.621 0.631 3.820 1.00 0.00 C ATOM 312 O PRO A 24 -9.363 0.941 4.983 1.00 0.00 O ATOM 313 CB PRO A 24 -11.942 -0.315 3.954 1.00 0.00 C ATOM 314 CG PRO A 24 -12.033 -0.914 5.316 1.00 0.00 C ATOM 315 CD PRO A 24 -11.118 -2.107 5.305 1.00 0.00 C ATOM 0 HA PRO A 24 -10.392 -0.739 2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.163 0.752 3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.656 -0.775 3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.730 -0.197 6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.057 -1.209 5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.659 -2.270 6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.653 -3.021 5.047 1.00 0.00 H new ATOM 323 N ILE A 25 -9.165 1.309 2.772 1.00 0.00 N ATOM 324 CA ILE A 25 -8.317 2.483 2.933 1.00 0.00 C ATOM 325 C ILE A 25 -9.147 3.762 2.960 1.00 0.00 C ATOM 326 O ILE A 25 -9.087 4.575 2.037 1.00 0.00 O ATOM 327 CB ILE A 25 -7.275 2.585 1.802 1.00 0.00 C ATOM 328 CG1 ILE A 25 -6.521 1.262 1.655 1.00 0.00 C ATOM 329 CG2 ILE A 25 -6.307 3.726 2.075 1.00 0.00 C ATOM 330 CD1 ILE A 25 -5.573 1.235 0.476 1.00 0.00 C ATOM 0 H ILE A 25 -9.369 1.065 1.803 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.799 2.369 3.885 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.794 2.792 0.866 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.958 1.071 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.242 0.452 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.577 3.785 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.858 4.664 2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.791 3.547 3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.073 0.267 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.133 1.395 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.829 2.023 0.589 1.00 0.00 H new ATOM 342 N THR A 26 -9.922 3.936 4.026 1.00 0.00 N ATOM 343 CA THR A 26 -10.764 5.116 4.175 1.00 0.00 C ATOM 344 C THR A 26 -9.924 6.361 4.439 1.00 0.00 C ATOM 345 O THR A 26 -8.698 6.291 4.507 1.00 0.00 O ATOM 346 CB THR A 26 -11.777 4.942 5.322 1.00 0.00 C ATOM 347 OG1 THR A 26 -11.088 4.810 6.570 1.00 0.00 O ATOM 348 CG2 THR A 26 -12.653 3.719 5.089 1.00 0.00 C ATOM 0 H THR A 26 -9.984 3.274 4.799 1.00 0.00 H new ATOM 0 HA THR A 26 -11.306 5.238 3.237 1.00 0.00 H new ATOM 0 HB THR A 26 -12.414 5.826 5.351 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.740 4.702 7.294 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.361 3.616 5.912 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.199 3.836 4.153 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.027 2.828 5.035 1.00 0.00 H new ATOM 356 N GLY A 27 -10.594 7.500 4.588 1.00 0.00 N ATOM 357 CA GLY A 27 -9.893 8.745 4.843 1.00 0.00 C ATOM 358 C GLY A 27 -9.739 9.590 3.595 1.00 0.00 C ATOM 359 O GLY A 27 -8.924 9.283 2.724 1.00 0.00 O ATOM 0 H GLY A 27 -11.609 7.583 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.434 9.314 5.599 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.907 8.526 5.253 1.00 0.00 H new ATOM 363 N PHE A 28 -10.525 10.658 3.505 1.00 0.00 N ATOM 364 CA PHE A 28 -10.474 11.550 2.352 1.00 0.00 C ATOM 365 C PHE A 28 -10.149 12.977 2.782 1.00 0.00 C ATOM 366 O PHE A 28 -10.268 13.326 3.956 1.00 0.00 O ATOM 367 CB PHE A 28 -11.807 11.523 1.601 1.00 0.00 C ATOM 368 CG PHE A 28 -12.993 11.822 2.473 1.00 0.00 C ATOM 369 CD1 PHE A 28 -13.319 13.130 2.796 1.00 0.00 C ATOM 370 CD2 PHE A 28 -13.781 10.797 2.970 1.00 0.00 C ATOM 371 CE1 PHE A 28 -14.410 13.409 3.598 1.00 0.00 C ATOM 372 CE2 PHE A 28 -14.873 11.070 3.772 1.00 0.00 C ATOM 373 CZ PHE A 28 -15.187 12.378 4.087 1.00 0.00 C ATOM 0 H PHE A 28 -11.205 10.927 4.216 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.683 11.200 1.688 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.772 12.249 0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.939 10.541 1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -12.714 13.940 2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -13.539 9.773 2.728 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -14.654 14.432 3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -15.480 10.262 4.152 1.00 0.00 H new ATOM 0 HZ PHE A 28 -16.039 12.594 4.715 1.00 0.00 H new ATOM 383 N GLY A 29 -9.737 13.799 1.822 1.00 0.00 N ATOM 384 CA GLY A 29 -9.400 15.179 2.120 1.00 0.00 C ATOM 385 C GLY A 29 -8.109 15.616 1.458 1.00 0.00 C ATOM 386 O GLY A 29 -7.831 15.247 0.317 1.00 0.00 O ATOM 0 H GLY A 29 -9.630 13.534 0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.212 15.827 1.790 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.312 15.303 3.199 1.00 0.00 H new ATOM 390 N LYS A 30 -7.317 16.407 2.174 1.00 0.00 N ATOM 391 CA LYS A 30 -6.048 16.897 1.650 1.00 0.00 C ATOM 392 C LYS A 30 -4.877 16.119 2.244 1.00 0.00 C ATOM 393 O LYS A 30 -4.079 15.529 1.517 1.00 0.00 O ATOM 394 CB LYS A 30 -5.888 18.389 1.953 1.00 0.00 C ATOM 395 CG LYS A 30 -6.571 19.292 0.940 1.00 0.00 C ATOM 396 CD LYS A 30 -5.770 19.390 -0.348 1.00 0.00 C ATOM 397 CE LYS A 30 -4.755 20.521 -0.288 1.00 0.00 C ATOM 398 NZ LYS A 30 -3.473 20.083 0.329 1.00 0.00 N ATOM 0 H LYS A 30 -7.532 16.723 3.120 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.049 16.750 0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.294 18.596 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.826 18.633 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.567 18.907 0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.700 20.287 1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.255 18.447 -0.530 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.447 19.551 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.565 20.892 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.169 21.351 0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.688 20.633 -0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.512 20.237 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.322 19.072 0.136 1.00 0.00 H new ATOM 412 N GLY A 31 -4.783 16.121 3.570 1.00 0.00 N ATOM 413 CA GLY A 31 -3.708 15.411 4.238 1.00 0.00 C ATOM 414 C GLY A 31 -3.948 13.916 4.294 1.00 0.00 C ATOM 415 O GLY A 31 -4.867 13.453 4.971 1.00 0.00 O ATOM 0 H GLY A 31 -5.432 16.601 4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.770 15.606 3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.597 15.796 5.252 1.00 0.00 H new ATOM 419 N SER A 32 -3.122 13.158 3.581 1.00 0.00 N ATOM 420 CA SER A 32 -3.253 11.706 3.548 1.00 0.00 C ATOM 421 C SER A 32 -1.889 11.041 3.388 1.00 0.00 C ATOM 422 O SER A 32 -1.066 11.473 2.580 1.00 0.00 O ATOM 423 CB SER A 32 -4.177 11.281 2.405 1.00 0.00 C ATOM 424 OG SER A 32 -4.316 9.872 2.358 1.00 0.00 O ATOM 0 H SER A 32 -2.355 13.525 3.018 1.00 0.00 H new ATOM 0 HA SER A 32 -3.687 11.384 4.495 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.156 11.742 2.534 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.778 11.642 1.457 1.00 0.00 H new ATOM 0 HG SER A 32 -4.913 9.627 1.620 1.00 0.00 H new ATOM 430 N SER A 33 -1.656 9.988 4.164 1.00 0.00 N ATOM 431 CA SER A 33 -0.391 9.265 4.112 1.00 0.00 C ATOM 432 C SER A 33 -0.612 7.810 3.709 1.00 0.00 C ATOM 433 O SER A 33 -0.776 6.936 4.560 1.00 0.00 O ATOM 434 CB SER A 33 0.313 9.328 5.469 1.00 0.00 C ATOM 435 OG SER A 33 -0.626 9.411 6.527 1.00 0.00 O ATOM 0 H SER A 33 -2.327 9.616 4.836 1.00 0.00 H new ATOM 0 HA SER A 33 0.239 9.740 3.361 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.936 8.443 5.600 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.976 10.193 5.498 1.00 0.00 H new ATOM 0 HG SER A 33 -0.151 9.448 7.384 1.00 0.00 H new ATOM 441 N VAL A 34 -0.616 7.558 2.404 1.00 0.00 N ATOM 442 CA VAL A 34 -0.817 6.210 1.886 1.00 0.00 C ATOM 443 C VAL A 34 -0.130 6.032 0.536 1.00 0.00 C ATOM 444 O VAL A 34 0.034 6.990 -0.220 1.00 0.00 O ATOM 445 CB VAL A 34 -2.314 5.884 1.734 1.00 0.00 C ATOM 446 CG1 VAL A 34 -2.941 6.744 0.647 1.00 0.00 C ATOM 447 CG2 VAL A 34 -2.509 4.406 1.434 1.00 0.00 C ATOM 0 H VAL A 34 -0.482 8.270 1.686 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.375 5.524 2.609 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.814 6.110 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.999 6.499 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.834 7.797 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.440 6.553 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.573 4.193 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.996 4.152 0.507 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.098 3.812 2.250 1.00 0.00 H new ATOM 457 N VAL A 35 0.271 4.800 0.240 1.00 0.00 N ATOM 458 CA VAL A 35 0.939 4.495 -1.019 1.00 0.00 C ATOM 459 C VAL A 35 -0.035 3.895 -2.027 1.00 0.00 C ATOM 460 O VAL A 35 -0.936 3.141 -1.661 1.00 0.00 O ATOM 461 CB VAL A 35 2.112 3.518 -0.810 1.00 0.00 C ATOM 462 CG1 VAL A 35 2.909 3.358 -2.096 1.00 0.00 C ATOM 463 CG2 VAL A 35 3.005 3.994 0.325 1.00 0.00 C ATOM 0 H VAL A 35 0.145 3.997 0.856 1.00 0.00 H new ATOM 0 HA VAL A 35 1.326 5.437 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 35 1.707 2.543 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.733 2.665 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.260 2.968 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.306 4.326 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.828 3.292 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.404 4.980 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.424 4.052 1.245 1.00 0.00 H new ATOM 473 N ALA A 36 0.154 4.234 -3.298 1.00 0.00 N ATOM 474 CA ALA A 36 -0.707 3.727 -4.359 1.00 0.00 C ATOM 475 C ALA A 36 0.116 3.110 -5.485 1.00 0.00 C ATOM 476 O ALA A 36 1.206 3.587 -5.804 1.00 0.00 O ATOM 477 CB ALA A 36 -1.592 4.841 -4.899 1.00 0.00 C ATOM 0 H ALA A 36 0.895 4.857 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.341 2.947 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.230 4.448 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.213 5.234 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.968 5.640 -5.299 1.00 0.00 H new ATOM 483 N TYR A 37 -0.411 2.047 -6.083 1.00 0.00 N ATOM 484 CA TYR A 37 0.277 1.363 -7.171 1.00 0.00 C ATOM 485 C TYR A 37 -0.684 1.055 -8.315 1.00 0.00 C ATOM 486 O TYR A 37 -1.809 1.553 -8.345 1.00 0.00 O ATOM 487 CB TYR A 37 0.916 0.068 -6.665 1.00 0.00 C ATOM 488 CG TYR A 37 2.302 -0.179 -7.216 1.00 0.00 C ATOM 489 CD1 TYR A 37 3.335 0.719 -6.979 1.00 0.00 C ATOM 490 CD2 TYR A 37 2.578 -1.310 -7.975 1.00 0.00 C ATOM 491 CE1 TYR A 37 4.603 0.497 -7.481 1.00 0.00 C ATOM 492 CE2 TYR A 37 3.843 -1.540 -8.479 1.00 0.00 C ATOM 493 CZ TYR A 37 4.852 -0.634 -8.230 1.00 0.00 C ATOM 494 OH TYR A 37 6.113 -0.859 -8.732 1.00 0.00 O ATOM 0 H TYR A 37 -1.312 1.641 -5.832 1.00 0.00 H new ATOM 0 HA TYR A 37 1.059 2.024 -7.545 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.967 0.099 -5.577 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.274 -0.772 -6.930 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.144 1.606 -6.393 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.790 -2.021 -8.174 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.395 1.205 -7.288 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.041 -2.425 -9.065 1.00 0.00 H new ATOM 0 HH TYR A 37 6.119 -1.700 -9.235 1.00 0.00 H new ATOM 504 N GLU A 38 -0.231 0.231 -9.255 1.00 0.00 N ATOM 505 CA GLU A 38 -1.050 -0.143 -10.402 1.00 0.00 C ATOM 506 C GLU A 38 -2.215 -1.030 -9.972 1.00 0.00 C ATOM 507 O GLU A 38 -2.136 -2.255 -10.043 1.00 0.00 O ATOM 508 CB GLU A 38 -0.202 -0.869 -11.448 1.00 0.00 C ATOM 509 CG GLU A 38 1.019 -0.082 -11.894 1.00 0.00 C ATOM 510 CD GLU A 38 0.779 0.691 -13.176 1.00 0.00 C ATOM 511 OE1 GLU A 38 0.301 0.082 -14.156 1.00 0.00 O ATOM 512 OE2 GLU A 38 1.068 1.906 -13.199 1.00 0.00 O ATOM 0 H GLU A 38 0.698 -0.190 -9.245 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.453 0.770 -10.841 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.122 -1.826 -11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.821 -1.087 -12.318 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.308 0.612 -11.104 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.855 -0.766 -12.038 1.00 0.00 H new ATOM 519 N GLY A 39 -3.297 -0.400 -9.524 1.00 0.00 N ATOM 520 CA GLY A 39 -4.463 -1.146 -9.088 1.00 0.00 C ATOM 521 C GLY A 39 -4.320 -1.670 -7.673 1.00 0.00 C ATOM 522 O GLY A 39 -5.073 -2.548 -7.251 1.00 0.00 O ATOM 0 H GLY A 39 -3.387 0.614 -9.455 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.343 -0.506 -9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.630 -1.982 -9.767 1.00 0.00 H new ATOM 526 N GLN A 40 -3.351 -1.132 -6.939 1.00 0.00 N ATOM 527 CA GLN A 40 -3.111 -1.554 -5.564 1.00 0.00 C ATOM 528 C GLN A 40 -2.784 -0.357 -4.677 1.00 0.00 C ATOM 529 O GLN A 40 -2.726 0.779 -5.147 1.00 0.00 O ATOM 530 CB GLN A 40 -1.969 -2.570 -5.512 1.00 0.00 C ATOM 531 CG GLN A 40 -2.314 -3.906 -6.150 1.00 0.00 C ATOM 532 CD GLN A 40 -3.070 -4.824 -5.210 1.00 0.00 C ATOM 533 OE1 GLN A 40 -2.481 -5.684 -4.555 1.00 0.00 O ATOM 534 NE2 GLN A 40 -4.384 -4.645 -5.138 1.00 0.00 N ATOM 0 H GLN A 40 -2.720 -0.404 -7.273 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.021 -2.022 -5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.098 -2.151 -6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.688 -2.735 -4.472 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.914 -3.733 -7.044 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.396 -4.398 -6.472 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.831 -3.920 -5.699 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.946 -5.233 -4.522 1.00 0.00 H new ATOM 543 N SER A 41 -2.572 -0.620 -3.391 1.00 0.00 N ATOM 544 CA SER A 41 -2.255 0.436 -2.437 1.00 0.00 C ATOM 545 C SER A 41 -1.818 -0.154 -1.100 1.00 0.00 C ATOM 546 O SER A 41 -2.234 -1.250 -0.727 1.00 0.00 O ATOM 547 CB SER A 41 -3.466 1.349 -2.234 1.00 0.00 C ATOM 548 OG SER A 41 -3.491 2.385 -3.200 1.00 0.00 O ATOM 0 H SER A 41 -2.614 -1.555 -2.986 1.00 0.00 H new ATOM 0 HA SER A 41 -1.431 1.023 -2.842 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.383 0.763 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.436 1.781 -1.234 1.00 0.00 H new ATOM 0 HG SER A 41 -3.512 1.994 -4.098 1.00 0.00 H new ATOM 554 N TRP A 42 -0.975 0.582 -0.384 1.00 0.00 N ATOM 555 CA TRP A 42 -0.481 0.133 0.913 1.00 0.00 C ATOM 556 C TRP A 42 -0.468 1.279 1.918 1.00 0.00 C ATOM 557 O TRP A 42 -0.029 2.387 1.605 1.00 0.00 O ATOM 558 CB TRP A 42 0.926 -0.452 0.770 1.00 0.00 C ATOM 559 CG TRP A 42 0.939 -1.828 0.175 1.00 0.00 C ATOM 560 CD1 TRP A 42 1.049 -3.011 0.849 1.00 0.00 C ATOM 561 CD2 TRP A 42 0.842 -2.162 -1.213 1.00 0.00 C ATOM 562 NE1 TRP A 42 1.025 -4.060 -0.038 1.00 0.00 N ATOM 563 CE2 TRP A 42 0.898 -3.566 -1.309 1.00 0.00 C ATOM 564 CE3 TRP A 42 0.710 -1.412 -2.385 1.00 0.00 C ATOM 565 CZ2 TRP A 42 0.829 -4.232 -2.530 1.00 0.00 C ATOM 566 CZ3 TRP A 42 0.642 -2.074 -3.596 1.00 0.00 C ATOM 567 CH2 TRP A 42 0.700 -3.473 -3.661 1.00 0.00 C ATOM 0 H TRP A 42 -0.620 1.491 -0.679 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.154 -0.641 1.282 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.526 0.211 0.147 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.400 -0.483 1.751 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.141 -3.108 1.921 1.00 0.00 H new ATOM 0 HE1 TRP A 42 1.091 -5.047 0.210 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.662 -0.334 -2.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.876 -5.310 -2.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.542 -1.504 -4.508 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.642 -3.961 -4.623 1.00 0.00 H new ATOM 578 N HIS A 43 -0.952 1.007 3.126 1.00 0.00 N ATOM 579 CA HIS A 43 -0.995 2.017 4.177 1.00 0.00 C ATOM 580 C HIS A 43 0.408 2.515 4.511 1.00 0.00 C ATOM 581 O HIS A 43 1.400 1.844 4.222 1.00 0.00 O ATOM 582 CB HIS A 43 -1.660 1.450 5.432 1.00 0.00 C ATOM 583 CG HIS A 43 -3.127 1.196 5.270 1.00 0.00 C ATOM 584 ND1 HIS A 43 -3.687 -0.061 5.358 1.00 0.00 N ATOM 585 CD2 HIS A 43 -4.151 2.047 5.025 1.00 0.00 C ATOM 586 CE1 HIS A 43 -4.993 0.028 5.174 1.00 0.00 C ATOM 587 NE2 HIS A 43 -5.299 1.296 4.970 1.00 0.00 N ATOM 0 H HIS A 43 -1.320 0.096 3.401 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.583 2.859 3.813 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.166 0.517 5.705 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.509 2.144 6.258 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.078 3.117 4.897 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.691 -0.796 5.188 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.237 1.659 4.799 1.00 0.00 H new ATOM 595 N ASP A 44 0.483 3.693 5.119 1.00 0.00 N ATOM 596 CA ASP A 44 1.765 4.280 5.493 1.00 0.00 C ATOM 597 C ASP A 44 2.510 3.380 6.474 1.00 0.00 C ATOM 598 O ASP A 44 3.740 3.378 6.519 1.00 0.00 O ATOM 599 CB ASP A 44 1.556 5.665 6.108 1.00 0.00 C ATOM 600 CG ASP A 44 2.776 6.151 6.865 1.00 0.00 C ATOM 601 OD1 ASP A 44 3.728 6.628 6.213 1.00 0.00 O ATOM 602 OD2 ASP A 44 2.779 6.056 8.111 1.00 0.00 O ATOM 0 H ASP A 44 -0.328 4.261 5.364 1.00 0.00 H new ATOM 0 HA ASP A 44 2.368 4.380 4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.314 6.377 5.319 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.701 5.634 6.783 1.00 0.00 H new ATOM 607 N TYR A 45 1.756 2.619 7.259 1.00 0.00 N ATOM 608 CA TYR A 45 2.344 1.717 8.243 1.00 0.00 C ATOM 609 C TYR A 45 2.509 0.315 7.666 1.00 0.00 C ATOM 610 O TYR A 45 3.307 -0.483 8.160 1.00 0.00 O ATOM 611 CB TYR A 45 1.476 1.664 9.501 1.00 0.00 C ATOM 612 CG TYR A 45 0.182 0.905 9.312 1.00 0.00 C ATOM 613 CD1 TYR A 45 -0.917 1.504 8.710 1.00 0.00 C ATOM 614 CD2 TYR A 45 0.060 -0.413 9.734 1.00 0.00 C ATOM 615 CE1 TYR A 45 -2.101 0.814 8.536 1.00 0.00 C ATOM 616 CE2 TYR A 45 -1.120 -1.112 9.563 1.00 0.00 C ATOM 617 CZ TYR A 45 -2.197 -0.494 8.964 1.00 0.00 C ATOM 618 OH TYR A 45 -3.375 -1.185 8.792 1.00 0.00 O ATOM 0 H TYR A 45 0.736 2.608 7.233 1.00 0.00 H new ATOM 0 HA TYR A 45 3.330 2.101 8.506 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.046 1.200 10.306 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.248 2.682 9.818 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.845 2.527 8.372 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.902 -0.900 10.204 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.947 1.296 8.068 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.198 -2.136 9.897 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.323 -1.722 7.974 1.00 0.00 H new ATOM 628 N CYS A 46 1.750 0.021 6.615 1.00 0.00 N ATOM 629 CA CYS A 46 1.811 -1.284 5.969 1.00 0.00 C ATOM 630 C CYS A 46 2.968 -1.346 4.975 1.00 0.00 C ATOM 631 O CYS A 46 3.632 -2.374 4.843 1.00 0.00 O ATOM 632 CB CYS A 46 0.492 -1.583 5.252 1.00 0.00 C ATOM 633 SG CYS A 46 -0.831 -2.185 6.350 1.00 0.00 S ATOM 0 H CYS A 46 1.085 0.670 6.193 1.00 0.00 H new ATOM 0 HA CYS A 46 1.977 -2.036 6.740 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.150 -0.678 4.751 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.673 -2.327 4.477 1.00 0.00 H new ATOM 638 N PHE A 47 3.203 -0.239 4.280 1.00 0.00 N ATOM 639 CA PHE A 47 4.279 -0.166 3.298 1.00 0.00 C ATOM 640 C PHE A 47 5.642 -0.230 3.980 1.00 0.00 C ATOM 641 O PHE A 47 6.148 0.777 4.476 1.00 0.00 O ATOM 642 CB PHE A 47 4.165 1.121 2.479 1.00 0.00 C ATOM 643 CG PHE A 47 4.711 0.995 1.085 1.00 0.00 C ATOM 644 CD1 PHE A 47 4.266 -0.010 0.241 1.00 0.00 C ATOM 645 CD2 PHE A 47 5.669 1.880 0.620 1.00 0.00 C ATOM 646 CE1 PHE A 47 4.766 -0.128 -1.042 1.00 0.00 C ATOM 647 CE2 PHE A 47 6.173 1.767 -0.662 1.00 0.00 C ATOM 648 CZ PHE A 47 5.722 0.761 -1.494 1.00 0.00 C ATOM 0 H PHE A 47 2.663 0.621 4.378 1.00 0.00 H new ATOM 0 HA PHE A 47 4.186 -1.022 2.630 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.117 1.416 2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.695 1.920 2.997 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.520 -0.709 0.590 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.027 2.668 1.267 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.410 -0.915 -1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.919 2.465 -1.013 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.116 0.670 -2.496 1.00 0.00 H new ATOM 658 N HIS A 48 6.232 -1.421 4.001 1.00 0.00 N ATOM 659 CA HIS A 48 7.538 -1.617 4.621 1.00 0.00 C ATOM 660 C HIS A 48 8.247 -2.829 4.025 1.00 0.00 C ATOM 661 O HIS A 48 7.604 -3.764 3.547 1.00 0.00 O ATOM 662 CB HIS A 48 7.386 -1.793 6.133 1.00 0.00 C ATOM 663 CG HIS A 48 6.426 -2.877 6.516 1.00 0.00 C ATOM 664 ND1 HIS A 48 5.309 -2.652 7.293 1.00 0.00 N ATOM 665 CD2 HIS A 48 6.419 -4.198 6.222 1.00 0.00 C ATOM 666 CE1 HIS A 48 4.658 -3.789 7.463 1.00 0.00 C ATOM 667 NE2 HIS A 48 5.310 -4.743 6.823 1.00 0.00 N ATOM 0 H HIS A 48 5.827 -2.265 3.596 1.00 0.00 H new ATOM 0 HA HIS A 48 8.143 -0.732 4.424 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.362 -2.014 6.565 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.051 -0.852 6.568 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.029 -1.749 7.676 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.149 -4.726 5.626 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.747 -3.917 8.029 1.00 0.00 H new ATOM 675 N CYS A 49 9.575 -2.805 4.054 1.00 0.00 N ATOM 676 CA CYS A 49 10.372 -3.900 3.515 1.00 0.00 C ATOM 677 C CYS A 49 9.966 -5.229 4.145 1.00 0.00 C ATOM 678 O CYS A 49 9.566 -5.282 5.308 1.00 0.00 O ATOM 679 CB CYS A 49 11.861 -3.642 3.758 1.00 0.00 C ATOM 680 SG CYS A 49 12.966 -4.814 2.907 1.00 0.00 S ATOM 0 H CYS A 49 10.122 -2.038 4.445 1.00 0.00 H new ATOM 0 HA CYS A 49 10.190 -3.956 2.442 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.102 -2.630 3.432 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.057 -3.687 4.829 1.00 0.00 H new ATOM 685 N LYS A 50 10.070 -6.302 3.367 1.00 0.00 N ATOM 686 CA LYS A 50 9.716 -7.633 3.847 1.00 0.00 C ATOM 687 C LYS A 50 10.947 -8.372 4.359 1.00 0.00 C ATOM 688 O LYS A 50 10.967 -9.602 4.416 1.00 0.00 O ATOM 689 CB LYS A 50 9.051 -8.440 2.730 1.00 0.00 C ATOM 690 CG LYS A 50 8.027 -9.443 3.231 1.00 0.00 C ATOM 691 CD LYS A 50 6.825 -8.751 3.851 1.00 0.00 C ATOM 692 CE LYS A 50 5.608 -9.664 3.876 1.00 0.00 C ATOM 693 NZ LYS A 50 5.620 -10.573 5.055 1.00 0.00 N ATOM 0 H LYS A 50 10.397 -6.276 2.401 1.00 0.00 H new ATOM 0 HA LYS A 50 9.013 -7.519 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.565 -7.753 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.821 -8.969 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.699 -10.073 2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.490 -10.100 3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.068 -8.438 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.592 -7.848 3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.701 -9.060 3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.580 -10.256 2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.775 -11.178 5.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.473 -11.168 5.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.621 -10.009 5.929 1.00 0.00 H new ATOM 707 N LYS A 51 11.974 -7.616 4.732 1.00 0.00 N ATOM 708 CA LYS A 51 13.209 -8.199 5.243 1.00 0.00 C ATOM 709 C LYS A 51 13.657 -7.493 6.519 1.00 0.00 C ATOM 710 O LYS A 51 13.756 -8.111 7.580 1.00 0.00 O ATOM 711 CB LYS A 51 14.313 -8.112 4.186 1.00 0.00 C ATOM 712 CG LYS A 51 15.244 -9.312 4.180 1.00 0.00 C ATOM 713 CD LYS A 51 15.791 -9.587 2.789 1.00 0.00 C ATOM 714 CE LYS A 51 15.183 -10.846 2.190 1.00 0.00 C ATOM 715 NZ LYS A 51 15.475 -12.050 3.016 1.00 0.00 N ATOM 0 H LYS A 51 11.975 -6.597 4.690 1.00 0.00 H new ATOM 0 HA LYS A 51 13.018 -9.247 5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.855 -8.013 3.202 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.899 -7.209 4.358 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.070 -9.136 4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.709 -10.190 4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.582 -8.737 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.875 -9.692 2.837 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.104 -10.721 2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.572 -10.994 1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.505 -12.891 2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.394 -11.932 3.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.730 -12.168 3.732 1.00 0.00 H new ATOM 729 N CYS A 52 13.925 -6.197 6.410 1.00 0.00 N ATOM 730 CA CYS A 52 14.361 -5.407 7.555 1.00 0.00 C ATOM 731 C CYS A 52 13.191 -4.639 8.164 1.00 0.00 C ATOM 732 O CYS A 52 13.293 -4.105 9.268 1.00 0.00 O ATOM 733 CB CYS A 52 15.463 -4.431 7.138 1.00 0.00 C ATOM 734 SG CYS A 52 14.976 -3.282 5.811 1.00 0.00 S ATOM 0 H CYS A 52 13.848 -5.671 5.540 1.00 0.00 H new ATOM 0 HA CYS A 52 14.755 -6.091 8.307 1.00 0.00 H new ATOM 0 HB2 CYS A 52 15.771 -3.853 8.010 1.00 0.00 H new ATOM 0 HB3 CYS A 52 16.333 -5.000 6.810 1.00 0.00 H new ATOM 739 N SER A 53 12.080 -4.590 7.436 1.00 0.00 N ATOM 740 CA SER A 53 10.891 -3.885 7.902 1.00 0.00 C ATOM 741 C SER A 53 11.168 -2.392 8.050 1.00 0.00 C ATOM 742 O SER A 53 11.026 -1.827 9.134 1.00 0.00 O ATOM 743 CB SER A 53 10.421 -4.463 9.238 1.00 0.00 C ATOM 744 OG SER A 53 10.739 -5.841 9.338 1.00 0.00 O ATOM 0 H SER A 53 11.978 -5.030 6.521 1.00 0.00 H new ATOM 0 HA SER A 53 10.104 -4.019 7.159 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.889 -3.918 10.058 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.344 -4.327 9.338 1.00 0.00 H new ATOM 0 HG SER A 53 10.430 -6.186 10.201 1.00 0.00 H new ATOM 750 N VAL A 54 11.564 -1.758 6.951 1.00 0.00 N ATOM 751 CA VAL A 54 11.860 -0.331 6.956 1.00 0.00 C ATOM 752 C VAL A 54 10.715 0.470 6.347 1.00 0.00 C ATOM 753 O VAL A 54 10.212 0.136 5.275 1.00 0.00 O ATOM 754 CB VAL A 54 13.156 -0.023 6.182 1.00 0.00 C ATOM 755 CG1 VAL A 54 13.020 -0.439 4.726 1.00 0.00 C ATOM 756 CG2 VAL A 54 13.505 1.453 6.293 1.00 0.00 C ATOM 0 H VAL A 54 11.687 -2.211 6.045 1.00 0.00 H new ATOM 0 HA VAL A 54 11.990 -0.039 7.998 1.00 0.00 H new ATOM 0 HB VAL A 54 13.968 -0.599 6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.945 -0.214 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 54 12.821 -1.509 4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.196 0.107 4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.423 1.652 5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.694 2.051 5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.648 1.715 7.341 1.00 0.00 H new ATOM 766 N ASN A 55 10.308 1.530 7.038 1.00 0.00 N ATOM 767 CA ASN A 55 9.221 2.380 6.565 1.00 0.00 C ATOM 768 C ASN A 55 9.573 3.017 5.224 1.00 0.00 C ATOM 769 O ASN A 55 10.242 4.050 5.171 1.00 0.00 O ATOM 770 CB ASN A 55 8.913 3.469 7.594 1.00 0.00 C ATOM 771 CG ASN A 55 7.728 4.326 7.191 1.00 0.00 C ATOM 772 OD1 ASN A 55 7.868 5.271 6.415 1.00 0.00 O ATOM 773 ND2 ASN A 55 6.555 3.999 7.720 1.00 0.00 N ATOM 0 H ASN A 55 10.714 1.821 7.927 1.00 0.00 H new ATOM 0 HA ASN A 55 8.337 1.756 6.430 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.711 3.006 8.560 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.790 4.103 7.721 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.722 4.540 7.487 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.487 3.207 8.359 1.00 0.00 H new ATOM 780 N LEU A 56 9.118 2.394 4.142 1.00 0.00 N ATOM 781 CA LEU A 56 9.384 2.900 2.800 1.00 0.00 C ATOM 782 C LEU A 56 8.193 3.693 2.272 1.00 0.00 C ATOM 783 O LEU A 56 8.005 3.818 1.062 1.00 0.00 O ATOM 784 CB LEU A 56 9.702 1.743 1.851 1.00 0.00 C ATOM 785 CG LEU A 56 10.972 0.950 2.163 1.00 0.00 C ATOM 786 CD1 LEU A 56 10.927 -0.414 1.490 1.00 0.00 C ATOM 787 CD2 LEU A 56 12.206 1.723 1.722 1.00 0.00 C ATOM 0 H LEU A 56 8.564 1.538 4.168 1.00 0.00 H new ATOM 0 HA LEU A 56 10.246 3.565 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.857 1.054 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.785 2.141 0.840 1.00 0.00 H new ATOM 0 HG LEU A 56 11.028 0.800 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.838 -0.965 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.064 -0.971 1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.847 -0.285 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.100 1.143 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.157 1.904 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.246 2.676 2.249 1.00 0.00 H new ATOM 799 N ALA A 57 7.393 4.230 3.187 1.00 0.00 N ATOM 800 CA ALA A 57 6.223 5.015 2.813 1.00 0.00 C ATOM 801 C ALA A 57 6.627 6.284 2.072 1.00 0.00 C ATOM 802 O ALA A 57 7.369 7.112 2.599 1.00 0.00 O ATOM 803 CB ALA A 57 5.403 5.360 4.048 1.00 0.00 C ATOM 0 H ALA A 57 7.534 4.136 4.193 1.00 0.00 H new ATOM 0 HA ALA A 57 5.612 4.413 2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.532 5.946 3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.075 4.442 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.014 5.939 4.740 1.00 0.00 H new ATOM 809 N ASN A 58 6.136 6.430 0.846 1.00 0.00 N ATOM 810 CA ASN A 58 6.448 7.599 0.032 1.00 0.00 C ATOM 811 C ASN A 58 7.945 7.682 -0.250 1.00 0.00 C ATOM 812 O ASN A 58 8.486 8.764 -0.479 1.00 0.00 O ATOM 813 CB ASN A 58 5.978 8.875 0.733 1.00 0.00 C ATOM 814 CG ASN A 58 4.580 8.740 1.304 1.00 0.00 C ATOM 815 OD1 ASN A 58 3.625 8.460 0.578 1.00 0.00 O ATOM 816 ND2 ASN A 58 4.453 8.938 2.611 1.00 0.00 N ATOM 0 H ASN A 58 5.521 5.754 0.394 1.00 0.00 H new ATOM 0 HA ASN A 58 5.922 7.500 -0.918 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.673 9.122 1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.000 9.704 0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.537 8.860 3.052 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.272 9.168 3.174 1.00 0.00 H new ATOM 823 N LYS A 59 8.609 6.532 -0.232 1.00 0.00 N ATOM 824 CA LYS A 59 10.044 6.472 -0.487 1.00 0.00 C ATOM 825 C LYS A 59 10.349 5.555 -1.667 1.00 0.00 C ATOM 826 O LYS A 59 9.438 5.044 -2.320 1.00 0.00 O ATOM 827 CB LYS A 59 10.784 5.980 0.759 1.00 0.00 C ATOM 828 CG LYS A 59 10.706 6.942 1.932 1.00 0.00 C ATOM 829 CD LYS A 59 11.569 6.477 3.093 1.00 0.00 C ATOM 830 CE LYS A 59 13.043 6.749 2.835 1.00 0.00 C ATOM 831 NZ LYS A 59 13.338 8.208 2.790 1.00 0.00 N ATOM 0 H LYS A 59 8.176 5.628 -0.043 1.00 0.00 H new ATOM 0 HA LYS A 59 10.386 7.477 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.370 5.018 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.831 5.812 0.507 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.028 7.933 1.613 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.671 7.033 2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.258 6.986 4.005 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.418 5.410 3.256 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.641 6.282 3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.337 6.290 1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.356 8.361 2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.060 8.590 1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.804 8.693 3.539 1.00 0.00 H new ATOM 845 N ARG A 60 11.634 5.350 -1.935 1.00 0.00 N ATOM 846 CA ARG A 60 12.059 4.494 -3.036 1.00 0.00 C ATOM 847 C ARG A 60 12.080 3.029 -2.609 1.00 0.00 C ATOM 848 O ARG A 60 12.595 2.690 -1.543 1.00 0.00 O ATOM 849 CB ARG A 60 13.444 4.913 -3.531 1.00 0.00 C ATOM 850 CG ARG A 60 13.665 4.655 -5.012 1.00 0.00 C ATOM 851 CD ARG A 60 13.745 3.166 -5.313 1.00 0.00 C ATOM 852 NE ARG A 60 14.591 2.886 -6.470 1.00 0.00 N ATOM 853 CZ ARG A 60 14.203 3.072 -7.727 1.00 0.00 C ATOM 854 NH1 ARG A 60 12.988 3.537 -7.987 1.00 0.00 N ATOM 855 NH2 ARG A 60 15.030 2.794 -8.726 1.00 0.00 N ATOM 0 H ARG A 60 12.400 5.765 -1.404 1.00 0.00 H new ATOM 0 HA ARG A 60 11.342 4.607 -3.849 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.586 5.975 -3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.202 4.377 -2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.852 5.100 -5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.585 5.142 -5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.137 2.641 -4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.743 2.779 -5.495 1.00 0.00 H new ATOM 0 HE ARG A 60 15.532 2.528 -6.304 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.350 3.752 -7.221 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.692 3.679 -8.953 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.965 2.437 -8.530 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.731 2.937 -9.691 1.00 0.00 H new ATOM 869 N PHE A 61 11.518 2.165 -3.448 1.00 0.00 N ATOM 870 CA PHE A 61 11.471 0.737 -3.157 1.00 0.00 C ATOM 871 C PHE A 61 11.695 -0.084 -4.423 1.00 0.00 C ATOM 872 O PHE A 61 11.931 0.466 -5.499 1.00 0.00 O ATOM 873 CB PHE A 61 10.127 0.367 -2.527 1.00 0.00 C ATOM 874 CG PHE A 61 8.943 0.820 -3.332 1.00 0.00 C ATOM 875 CD1 PHE A 61 8.452 2.109 -3.202 1.00 0.00 C ATOM 876 CD2 PHE A 61 8.321 -0.043 -4.220 1.00 0.00 C ATOM 877 CE1 PHE A 61 7.362 2.527 -3.941 1.00 0.00 C ATOM 878 CE2 PHE A 61 7.231 0.370 -4.962 1.00 0.00 C ATOM 879 CZ PHE A 61 6.751 1.658 -4.823 1.00 0.00 C ATOM 0 H PHE A 61 11.089 2.429 -4.335 1.00 0.00 H new ATOM 0 HA PHE A 61 12.270 0.509 -2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.079 -0.715 -2.402 1.00 0.00 H new ATOM 0 HB3 PHE A 61 10.069 0.806 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.926 2.795 -2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.693 -1.051 -4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.988 3.534 -3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.755 -0.313 -5.650 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.900 1.984 -5.403 1.00 0.00 H new ATOM 889 N VAL A 62 11.621 -1.404 -4.287 1.00 0.00 N ATOM 890 CA VAL A 62 11.815 -2.302 -5.419 1.00 0.00 C ATOM 891 C VAL A 62 10.844 -3.476 -5.362 1.00 0.00 C ATOM 892 O VAL A 62 10.989 -4.376 -4.535 1.00 0.00 O ATOM 893 CB VAL A 62 13.256 -2.844 -5.465 1.00 0.00 C ATOM 894 CG1 VAL A 62 13.431 -3.796 -6.638 1.00 0.00 C ATOM 895 CG2 VAL A 62 14.253 -1.698 -5.545 1.00 0.00 C ATOM 0 H VAL A 62 11.428 -1.876 -3.403 1.00 0.00 H new ATOM 0 HA VAL A 62 11.625 -1.720 -6.321 1.00 0.00 H new ATOM 0 HB VAL A 62 13.447 -3.399 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.455 -4.169 -6.654 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.742 -4.634 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 62 13.222 -3.269 -7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.266 -2.099 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.065 -1.115 -6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.143 -1.058 -4.669 1.00 0.00 H new ATOM 905 N PHE A 63 9.853 -3.460 -6.248 1.00 0.00 N ATOM 906 CA PHE A 63 8.857 -4.524 -6.299 1.00 0.00 C ATOM 907 C PHE A 63 9.475 -5.825 -6.801 1.00 0.00 C ATOM 908 O PHE A 63 10.035 -5.877 -7.897 1.00 0.00 O ATOM 909 CB PHE A 63 7.692 -4.117 -7.204 1.00 0.00 C ATOM 910 CG PHE A 63 6.380 -4.730 -6.804 1.00 0.00 C ATOM 911 CD1 PHE A 63 5.896 -4.585 -5.514 1.00 0.00 C ATOM 912 CD2 PHE A 63 5.631 -5.453 -7.719 1.00 0.00 C ATOM 913 CE1 PHE A 63 4.690 -5.148 -5.144 1.00 0.00 C ATOM 914 CE2 PHE A 63 4.424 -6.018 -7.354 1.00 0.00 C ATOM 915 CZ PHE A 63 3.953 -5.866 -6.065 1.00 0.00 C ATOM 0 H PHE A 63 9.719 -2.723 -6.940 1.00 0.00 H new ATOM 0 HA PHE A 63 8.484 -4.687 -5.288 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.595 -3.031 -7.192 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.921 -4.406 -8.230 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.468 -4.025 -4.789 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.995 -5.576 -8.728 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.324 -5.027 -4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.849 -6.578 -8.077 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.010 -6.308 -5.778 1.00 0.00 H new ATOM 925 N HIS A 64 9.371 -6.874 -5.991 1.00 0.00 N ATOM 926 CA HIS A 64 9.920 -8.176 -6.353 1.00 0.00 C ATOM 927 C HIS A 64 9.123 -9.302 -5.700 1.00 0.00 C ATOM 928 O HIS A 64 8.819 -9.248 -4.509 1.00 0.00 O ATOM 929 CB HIS A 64 11.388 -8.268 -5.937 1.00 0.00 C ATOM 930 CG HIS A 64 12.169 -9.281 -6.716 1.00 0.00 C ATOM 931 ND1 HIS A 64 12.293 -9.243 -8.089 1.00 0.00 N ATOM 932 CD2 HIS A 64 12.871 -10.363 -6.306 1.00 0.00 C ATOM 933 CE1 HIS A 64 13.035 -10.259 -8.490 1.00 0.00 C ATOM 934 NE2 HIS A 64 13.399 -10.954 -7.428 1.00 0.00 N ATOM 0 H HIS A 64 8.912 -6.848 -5.080 1.00 0.00 H new ATOM 0 HA HIS A 64 9.849 -8.284 -7.435 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.854 -7.290 -6.059 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.442 -8.517 -4.877 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.993 -10.699 -5.287 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.299 -10.483 -9.513 1.00 0.00 H new ATOM 0 HE2 HIS A 64 13.978 -11.793 -7.439 1.00 0.00 H new ATOM 942 N GLN A 65 8.788 -10.318 -6.489 1.00 0.00 N ATOM 943 CA GLN A 65 8.025 -11.455 -5.987 1.00 0.00 C ATOM 944 C GLN A 65 6.740 -10.991 -5.308 1.00 0.00 C ATOM 945 O GLN A 65 6.384 -11.479 -4.236 1.00 0.00 O ATOM 946 CB GLN A 65 8.870 -12.269 -5.005 1.00 0.00 C ATOM 947 CG GLN A 65 10.039 -12.988 -5.658 1.00 0.00 C ATOM 948 CD GLN A 65 10.959 -13.644 -4.648 1.00 0.00 C ATOM 949 OE1 GLN A 65 10.583 -13.856 -3.495 1.00 0.00 O ATOM 950 NE2 GLN A 65 12.173 -13.969 -5.077 1.00 0.00 N ATOM 0 H GLN A 65 9.033 -10.377 -7.477 1.00 0.00 H new ATOM 0 HA GLN A 65 7.759 -12.085 -6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.251 -11.605 -4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.233 -13.003 -4.512 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.658 -13.746 -6.342 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.610 -12.277 -6.256 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.442 -13.775 -6.041 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.836 -14.413 -4.442 1.00 0.00 H new ATOM 959 N GLU A 66 6.051 -10.047 -5.940 1.00 0.00 N ATOM 960 CA GLU A 66 4.806 -9.517 -5.395 1.00 0.00 C ATOM 961 C GLU A 66 5.022 -8.951 -3.995 1.00 0.00 C ATOM 962 O GLU A 66 4.122 -8.983 -3.156 1.00 0.00 O ATOM 963 CB GLU A 66 3.735 -10.609 -5.356 1.00 0.00 C ATOM 964 CG GLU A 66 3.407 -11.190 -6.721 1.00 0.00 C ATOM 965 CD GLU A 66 2.386 -12.308 -6.649 1.00 0.00 C ATOM 966 OE1 GLU A 66 1.269 -12.059 -6.148 1.00 0.00 O ATOM 967 OE2 GLU A 66 2.702 -13.431 -7.093 1.00 0.00 O ATOM 0 H GLU A 66 6.333 -9.633 -6.829 1.00 0.00 H new ATOM 0 HA GLU A 66 4.469 -8.710 -6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.071 -11.412 -4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.826 -10.198 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.028 -10.398 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.321 -11.567 -7.181 1.00 0.00 H new ATOM 974 N GLN A 67 6.222 -8.434 -3.751 1.00 0.00 N ATOM 975 CA GLN A 67 6.557 -7.861 -2.452 1.00 0.00 C ATOM 976 C GLN A 67 7.341 -6.563 -2.615 1.00 0.00 C ATOM 977 O GLN A 67 7.635 -6.139 -3.733 1.00 0.00 O ATOM 978 CB GLN A 67 7.368 -8.860 -1.625 1.00 0.00 C ATOM 979 CG GLN A 67 6.515 -9.909 -0.930 1.00 0.00 C ATOM 980 CD GLN A 67 7.316 -11.124 -0.503 1.00 0.00 C ATOM 981 OE1 GLN A 67 8.366 -11.421 -1.074 1.00 0.00 O ATOM 982 NE2 GLN A 67 6.824 -11.833 0.505 1.00 0.00 N ATOM 0 H GLN A 67 6.978 -8.400 -4.435 1.00 0.00 H new ATOM 0 HA GLN A 67 5.626 -7.638 -1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.085 -9.360 -2.276 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.943 -8.316 -0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 67 6.041 -9.465 -0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.715 -10.223 -1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.950 -11.550 0.949 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.320 -12.661 0.836 1.00 0.00 H new ATOM 991 N VAL A 68 7.676 -5.935 -1.493 1.00 0.00 N ATOM 992 CA VAL A 68 8.427 -4.685 -1.511 1.00 0.00 C ATOM 993 C VAL A 68 9.751 -4.829 -0.769 1.00 0.00 C ATOM 994 O VAL A 68 9.802 -5.379 0.331 1.00 0.00 O ATOM 995 CB VAL A 68 7.619 -3.537 -0.879 1.00 0.00 C ATOM 996 CG1 VAL A 68 8.391 -2.229 -0.967 1.00 0.00 C ATOM 997 CG2 VAL A 68 6.260 -3.409 -1.550 1.00 0.00 C ATOM 0 H VAL A 68 7.439 -6.271 -0.560 1.00 0.00 H new ATOM 0 HA VAL A 68 8.624 -4.448 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 68 7.458 -3.767 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.804 -1.429 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.338 -2.329 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.585 -1.991 -2.013 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.703 -2.593 -1.090 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.396 -3.203 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.706 -4.340 -1.429 1.00 0.00 H new ATOM 1007 N TYR A 69 10.821 -4.330 -1.378 1.00 0.00 N ATOM 1008 CA TYR A 69 12.147 -4.404 -0.777 1.00 0.00 C ATOM 1009 C TYR A 69 12.955 -3.147 -1.084 1.00 0.00 C ATOM 1010 O TYR A 69 13.174 -2.803 -2.246 1.00 0.00 O ATOM 1011 CB TYR A 69 12.892 -5.639 -1.285 1.00 0.00 C ATOM 1012 CG TYR A 69 12.273 -6.945 -0.840 1.00 0.00 C ATOM 1013 CD1 TYR A 69 12.635 -7.534 0.365 1.00 0.00 C ATOM 1014 CD2 TYR A 69 11.327 -7.591 -1.626 1.00 0.00 C ATOM 1015 CE1 TYR A 69 12.073 -8.727 0.775 1.00 0.00 C ATOM 1016 CE2 TYR A 69 10.758 -8.784 -1.224 1.00 0.00 C ATOM 1017 CZ TYR A 69 11.134 -9.348 -0.023 1.00 0.00 C ATOM 1018 OH TYR A 69 10.571 -10.537 0.381 1.00 0.00 O ATOM 0 H TYR A 69 10.796 -3.870 -2.288 1.00 0.00 H new ATOM 0 HA TYR A 69 12.025 -4.481 0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 69 12.921 -5.613 -2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 69 13.924 -5.599 -0.937 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.369 -7.050 0.992 1.00 0.00 H new ATOM 0 HD2 TYR A 69 11.031 -7.153 -2.568 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.367 -9.171 1.715 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.023 -9.272 -1.847 1.00 0.00 H new ATOM 0 HH TYR A 69 9.838 -10.774 -0.225 1.00 0.00 H new ATOM 1028 N CYS A 70 13.397 -2.464 -0.033 1.00 0.00 N ATOM 1029 CA CYS A 70 14.182 -1.245 -0.187 1.00 0.00 C ATOM 1030 C CYS A 70 15.355 -1.469 -1.136 1.00 0.00 C ATOM 1031 O CYS A 70 15.790 -2.597 -1.369 1.00 0.00 O ATOM 1032 CB CYS A 70 14.696 -0.769 1.173 1.00 0.00 C ATOM 1033 SG CYS A 70 15.453 -2.083 2.183 1.00 0.00 S ATOM 0 H CYS A 70 13.225 -2.734 0.935 1.00 0.00 H new ATOM 0 HA CYS A 70 13.535 -0.478 -0.612 1.00 0.00 H new ATOM 0 HB2 CYS A 70 15.429 0.022 1.016 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.868 -0.330 1.729 1.00 0.00 H new ATOM 1038 N PRO A 71 15.880 -0.370 -1.698 1.00 0.00 N ATOM 1039 CA PRO A 71 17.010 -0.421 -2.630 1.00 0.00 C ATOM 1040 C PRO A 71 18.151 -1.289 -2.111 1.00 0.00 C ATOM 1041 O PRO A 71 18.796 -2.006 -2.877 1.00 0.00 O ATOM 1042 CB PRO A 71 17.453 1.041 -2.730 1.00 0.00 C ATOM 1043 CG PRO A 71 16.230 1.830 -2.412 1.00 0.00 C ATOM 1044 CD PRO A 71 15.411 1.006 -1.466 1.00 0.00 C ATOM 0 HA PRO A 71 16.730 -0.862 -3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.258 1.259 -2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.826 1.274 -3.727 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.495 2.786 -1.961 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.667 2.050 -3.319 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.567 1.312 -0.432 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.345 1.105 -1.670 1.00 0.00 H new ATOM 1052 N ASP A 72 18.396 -1.219 -0.807 1.00 0.00 N ATOM 1053 CA ASP A 72 19.459 -2.000 -0.186 1.00 0.00 C ATOM 1054 C ASP A 72 19.150 -3.492 -0.257 1.00 0.00 C ATOM 1055 O ASP A 72 19.836 -4.247 -0.946 1.00 0.00 O ATOM 1056 CB ASP A 72 19.648 -1.574 1.271 1.00 0.00 C ATOM 1057 CG ASP A 72 20.976 -2.035 1.841 1.00 0.00 C ATOM 1058 OD1 ASP A 72 21.227 -3.258 1.843 1.00 0.00 O ATOM 1059 OD2 ASP A 72 21.762 -1.172 2.285 1.00 0.00 O ATOM 0 H ASP A 72 17.873 -0.629 -0.160 1.00 0.00 H new ATOM 0 HA ASP A 72 20.382 -1.813 -0.734 1.00 0.00 H new ATOM 0 HB2 ASP A 72 19.583 -0.488 1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.836 -1.981 1.874 1.00 0.00 H new ATOM 1064 N CYS A 73 18.113 -3.911 0.461 1.00 0.00 N ATOM 1065 CA CYS A 73 17.713 -5.313 0.482 1.00 0.00 C ATOM 1066 C CYS A 73 17.543 -5.851 -0.936 1.00 0.00 C ATOM 1067 O CYS A 73 17.853 -7.009 -1.212 1.00 0.00 O ATOM 1068 CB CYS A 73 16.408 -5.481 1.263 1.00 0.00 C ATOM 1069 SG CYS A 73 16.613 -5.438 3.072 1.00 0.00 S ATOM 0 H CYS A 73 17.534 -3.299 1.036 1.00 0.00 H new ATOM 0 HA CYS A 73 18.500 -5.883 0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.716 -4.692 0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.949 -6.429 0.983 1.00 0.00 H new ATOM 1074 N ALA A 74 17.049 -5.001 -1.830 1.00 0.00 N ATOM 1075 CA ALA A 74 16.840 -5.390 -3.219 1.00 0.00 C ATOM 1076 C ALA A 74 18.132 -5.904 -3.846 1.00 0.00 C ATOM 1077 O ALA A 74 18.114 -6.824 -4.664 1.00 0.00 O ATOM 1078 CB ALA A 74 16.294 -4.217 -4.019 1.00 0.00 C ATOM 0 H ALA A 74 16.786 -4.039 -1.617 1.00 0.00 H new ATOM 0 HA ALA A 74 16.111 -6.200 -3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.143 -4.522 -5.055 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.343 -3.897 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 74 17.004 -3.391 -3.984 1.00 0.00 H new ATOM 1084 N LYS A 75 19.252 -5.305 -3.457 1.00 0.00 N ATOM 1085 CA LYS A 75 20.554 -5.702 -3.979 1.00 0.00 C ATOM 1086 C LYS A 75 20.850 -7.161 -3.649 1.00 0.00 C ATOM 1087 O LYS A 75 21.535 -7.852 -4.404 1.00 0.00 O ATOM 1088 CB LYS A 75 21.652 -4.805 -3.404 1.00 0.00 C ATOM 1089 CG LYS A 75 21.563 -3.361 -3.867 1.00 0.00 C ATOM 1090 CD LYS A 75 22.932 -2.702 -3.905 1.00 0.00 C ATOM 1091 CE LYS A 75 22.853 -1.284 -4.451 1.00 0.00 C ATOM 1092 NZ LYS A 75 22.918 -1.259 -5.939 1.00 0.00 N ATOM 0 H LYS A 75 19.284 -4.542 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 75 20.533 -5.590 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.599 -4.833 -2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.624 -5.209 -3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.112 -3.323 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.908 -2.803 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.356 -2.683 -2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.605 -3.295 -4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 75 21.925 -0.818 -4.120 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.671 -0.691 -4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 22.861 -0.276 -6.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 23.815 -1.680 -6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 22.123 -1.804 -6.330 1.00 0.00 H new ATOM 1106 N LYS A 76 20.330 -7.625 -2.518 1.00 0.00 N ATOM 1107 CA LYS A 76 20.536 -9.003 -2.089 1.00 0.00 C ATOM 1108 C LYS A 76 19.723 -9.967 -2.948 1.00 0.00 C ATOM 1109 O LYS A 76 20.099 -11.127 -3.121 1.00 0.00 O ATOM 1110 CB LYS A 76 20.149 -9.164 -0.617 1.00 0.00 C ATOM 1111 CG LYS A 76 20.888 -8.217 0.312 1.00 0.00 C ATOM 1112 CD LYS A 76 20.372 -8.320 1.738 1.00 0.00 C ATOM 1113 CE LYS A 76 20.920 -9.552 2.442 1.00 0.00 C ATOM 1114 NZ LYS A 76 20.217 -9.815 3.728 1.00 0.00 N ATOM 0 H LYS A 76 19.762 -7.066 -1.881 1.00 0.00 H new ATOM 0 HA LYS A 76 21.593 -9.240 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 76 19.077 -9.000 -0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.346 -10.191 -0.308 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.954 -8.444 0.292 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.774 -7.193 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 76 20.655 -7.426 2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.283 -8.359 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.818 -10.419 1.789 1.00 0.00 H new ATOM 0 HE3 LYS A 76 21.985 -9.418 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.620 -10.662 4.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.335 -8.999 4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 19.205 -9.968 3.545 1.00 0.00 H new ATOM 1128 N LEU A 77 18.609 -9.480 -3.483 1.00 0.00 N ATOM 1129 CA LEU A 77 17.744 -10.299 -4.325 1.00 0.00 C ATOM 1130 C LEU A 77 18.413 -10.600 -5.663 1.00 0.00 C ATOM 1131 O LEU A 77 19.016 -9.722 -6.278 1.00 0.00 O ATOM 1132 CB LEU A 77 16.408 -9.591 -4.558 1.00 0.00 C ATOM 1133 CG LEU A 77 15.764 -8.951 -3.328 1.00 0.00 C ATOM 1134 CD1 LEU A 77 14.505 -8.194 -3.718 1.00 0.00 C ATOM 1135 CD2 LEU A 77 15.450 -10.009 -2.280 1.00 0.00 C ATOM 0 H LEU A 77 18.284 -8.523 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 77 17.564 -11.242 -3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.557 -8.816 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.706 -10.312 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 77 16.471 -8.241 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.060 -7.745 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.758 -7.411 -4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.792 -8.883 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.992 -9.536 -1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.761 -10.743 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.371 -10.507 -1.978 1.00 0.00 H new TER 1147 LEU A 77 HETATM 1148 ZN ZN A 200 -2.870 -1.907 5.240 1.00 0.00 ZN HETATM 1149 ZN ZN A 300 14.955 -3.850 3.550 1.00 0.00 ZN