USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 640 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 21 SER OG : rot 180:sc= 0.00263 USER MOD Set 1.2: A 23 HIS :FLIP no HE2:sc= -4.94 F(o=-8.7!,f=-4.9) USER MOD Set 2.1: A 5 CYS SG : rot -150:sc= 2.22 USER MOD Set 2.2: A 10 CYS SG : rot -100:sc= -2.75! USER MOD Set 2.3: A 12 ASN : amide:sc= 0.694 K(o=-5.1,f=-6.9) USER MOD Set 2.4: A 54 CYS SG : rot 180:sc= -3.39! USER MOD Set 2.5: A 57 HIS : no HD1:sc= -1.91 K(o=-5.1,f=-16!) USER MOD Single : A 6 SER OG : rot -112:sc= -0.398 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0687) USER MOD Single : A 28 THR OG1 : rot 140:sc= -0.0343 USER MOD Single : A 31 SER OG : rot 180:sc= 0.043 USER MOD Single : A 33 CYS SG : rot 28:sc= -1.08! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.513 K(o=-0.51,f=-1.2) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.0182 (180deg=-0.508) USER MOD Single : A 48 THR OG1 : rot -150:sc= 0.0251 USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= 0.176 (180deg=-0.703) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -150:sc= -0.28 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0077 USER MOD Single : A 55 SER OG : rot 89:sc= 1.46 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0733 USER MOD Single : A 62 SER OG : rot -21:sc= -2.24! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -147:sc= -0.269 USER MOD Single : A 68 ASN : amide:sc= -0.576 X(o=-0.58,f=-0.077) USER MOD Single : A 69 ASN : amide:sc= -1.98! C(o=-2!,f=-2.1!) USER MOD Single : A 70 LYS NZ :NH3+ -103:sc= 0.0562 (180deg=-0.00385) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= -3.62! (180deg=-3.74!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.142 F(o=-1.4,f=-0.14) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N CYS A 5 -8.525 1.387 -3.863 1.00 10.00 N ATOM 65 CA CYS A 5 -7.678 2.009 -2.853 1.00 10.00 C ATOM 66 C CYS A 5 -8.450 2.208 -1.543 1.00 10.00 C ATOM 67 O CYS A 5 -9.660 1.993 -1.488 1.00 10.00 O ATOM 68 CB CYS A 5 -7.180 3.360 -3.383 1.00 10.00 C ATOM 69 SG CYS A 5 -7.517 3.616 -5.140 1.00 10.00 S ATOM 0 HA CYS A 5 -6.829 1.357 -2.647 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.649 4.161 -2.811 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.106 3.434 -3.213 1.00 10.00 H new ATOM 0 HG CYS A 5 -6.597 4.379 -5.652 1.00 10.00 H new ATOM 74 N SER A 6 -7.738 2.625 -0.498 1.00 10.00 N ATOM 75 CA SER A 6 -8.331 2.836 0.826 1.00 10.00 C ATOM 76 C SER A 6 -9.320 4.009 0.865 1.00 10.00 C ATOM 77 O SER A 6 -9.877 4.320 1.915 1.00 10.00 O ATOM 78 CB SER A 6 -7.213 3.053 1.846 1.00 10.00 C ATOM 79 OG SER A 6 -6.261 2.005 1.773 1.00 10.00 O ATOM 0 H SER A 6 -6.739 2.826 -0.542 1.00 10.00 H new ATOM 0 HA SER A 6 -8.906 1.944 1.073 1.00 10.00 H new ATOM 0 HB2 SER A 6 -6.724 4.009 1.660 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.634 3.100 2.850 1.00 10.00 H new ATOM 0 HG SER A 6 -6.302 1.468 2.592 1.00 10.00 H new ATOM 85 N ALA A 7 -9.526 4.670 -0.267 1.00 10.00 N ATOM 86 CA ALA A 7 -10.468 5.778 -0.331 1.00 10.00 C ATOM 87 C ALA A 7 -11.882 5.235 -0.469 1.00 10.00 C ATOM 88 O ALA A 7 -12.070 4.038 -0.654 1.00 10.00 O ATOM 89 CB ALA A 7 -10.133 6.692 -1.496 1.00 10.00 C ATOM 0 H ALA A 7 -9.056 4.459 -1.148 1.00 10.00 H new ATOM 0 HA ALA A 7 -10.398 6.360 0.588 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.847 7.515 -1.530 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -9.126 7.090 -1.369 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.185 6.128 -2.427 1.00 10.00 H new ATOM 95 N TYR A 8 -12.876 6.099 -0.427 1.00 10.00 N ATOM 96 CA TYR A 8 -14.248 5.644 -0.533 1.00 10.00 C ATOM 97 C TYR A 8 -14.805 5.937 -1.928 1.00 10.00 C ATOM 98 O TYR A 8 -15.083 7.076 -2.293 1.00 10.00 O ATOM 99 CB TYR A 8 -15.124 6.264 0.566 1.00 10.00 C ATOM 100 CG TYR A 8 -15.200 7.772 0.558 1.00 10.00 C ATOM 101 CD1 TYR A 8 -14.267 8.543 1.236 1.00 10.00 C ATOM 102 CD2 TYR A 8 -16.219 8.421 -0.123 1.00 10.00 C ATOM 103 CE1 TYR A 8 -14.347 9.919 1.229 1.00 10.00 C ATOM 104 CE2 TYR A 8 -16.309 9.792 -0.133 1.00 10.00 C ATOM 105 CZ TYR A 8 -15.370 10.541 0.542 1.00 10.00 C ATOM 106 OH TYR A 8 -15.455 11.912 0.534 1.00 10.00 O ATOM 0 H TYR A 8 -12.763 7.107 -0.322 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.263 4.564 -0.387 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -16.134 5.865 0.470 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.744 5.941 1.535 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -13.467 8.059 1.777 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -16.956 7.838 -0.655 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -13.613 10.508 1.759 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -17.111 10.280 -0.667 1.00 10.00 H new ATOM 0 HH TYR A 8 -16.232 12.189 0.004 1.00 10.00 H new ATOM 116 N GLY A 9 -14.887 4.897 -2.727 1.00 10.00 N ATOM 117 CA GLY A 9 -15.438 5.021 -4.064 1.00 10.00 C ATOM 118 C GLY A 9 -14.393 5.065 -5.170 1.00 10.00 C ATOM 119 O GLY A 9 -14.735 4.996 -6.352 1.00 10.00 O ATOM 0 H GLY A 9 -14.581 3.956 -2.478 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -16.109 4.182 -4.247 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -16.041 5.928 -4.113 1.00 10.00 H new ATOM 123 N CYS A 10 -13.122 5.176 -4.802 1.00 10.00 N ATOM 124 CA CYS A 10 -12.039 5.235 -5.777 1.00 10.00 C ATOM 125 C CYS A 10 -11.711 3.867 -6.373 1.00 10.00 C ATOM 126 O CYS A 10 -10.707 3.246 -6.019 1.00 10.00 O ATOM 127 CB CYS A 10 -10.777 5.842 -5.163 1.00 10.00 C ATOM 128 SG CYS A 10 -9.436 6.052 -6.349 1.00 10.00 S ATOM 0 H CYS A 10 -12.815 5.227 -3.831 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.392 5.875 -6.585 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -11.023 6.811 -4.728 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.435 5.204 -4.348 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.579 5.084 -6.211 1.00 10.00 H new ATOM 133 N LYS A 11 -12.573 3.380 -7.250 1.00 10.00 N ATOM 134 CA LYS A 11 -12.338 2.105 -7.919 1.00 10.00 C ATOM 135 C LYS A 11 -11.423 2.323 -9.128 1.00 10.00 C ATOM 136 O LYS A 11 -11.629 1.751 -10.199 1.00 10.00 O ATOM 137 CB LYS A 11 -13.659 1.475 -8.368 1.00 10.00 C ATOM 138 CG LYS A 11 -14.329 0.631 -7.294 1.00 10.00 C ATOM 139 CD LYS A 11 -15.498 -0.158 -7.865 1.00 10.00 C ATOM 140 CE LYS A 11 -16.108 -1.094 -6.837 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.986 -2.112 -7.472 1.00 10.00 N ATOM 0 H LYS A 11 -13.441 3.845 -7.517 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.858 1.424 -7.216 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -14.343 2.266 -8.675 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.476 0.854 -9.245 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -13.601 -0.055 -6.860 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.680 1.275 -6.488 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -16.261 0.533 -8.224 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -15.160 -0.735 -8.726 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -15.313 -1.594 -6.283 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -16.685 -0.516 -6.115 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -17.384 -2.733 -6.739 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -17.759 -1.636 -7.980 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -16.430 -2.680 -8.142 1.00 10.00 H new ATOM 155 N ASN A 12 -10.403 3.147 -8.934 1.00 10.00 N ATOM 156 CA ASN A 12 -9.452 3.484 -9.995 1.00 10.00 C ATOM 157 C ASN A 12 -8.320 2.484 -10.051 1.00 10.00 C ATOM 158 O ASN A 12 -7.141 2.847 -10.027 1.00 10.00 O ATOM 159 CB ASN A 12 -8.891 4.875 -9.781 1.00 10.00 C ATOM 160 CG ASN A 12 -9.972 5.947 -9.859 1.00 10.00 C ATOM 161 OD1 ASN A 12 -11.039 5.723 -10.433 1.00 10.00 O ATOM 162 ND2 ASN A 12 -9.703 7.124 -9.314 1.00 10.00 N ATOM 0 H ASN A 12 -10.208 3.602 -8.042 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.989 3.454 -10.943 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -8.403 4.923 -8.808 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -8.126 5.076 -10.531 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -10.389 7.877 -9.363 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -8.810 7.277 -8.846 1.00 10.00 H new ATOM 169 N ARG A 13 -8.715 1.234 -10.061 1.00 10.00 N ATOM 170 CA ARG A 13 -7.806 0.096 -10.143 1.00 10.00 C ATOM 171 C ARG A 13 -6.700 0.356 -11.170 1.00 10.00 C ATOM 172 O ARG A 13 -6.981 0.878 -12.250 1.00 10.00 O ATOM 173 CB ARG A 13 -8.623 -1.165 -10.504 1.00 10.00 C ATOM 174 CG ARG A 13 -8.081 -2.010 -11.661 1.00 10.00 C ATOM 175 CD ARG A 13 -6.815 -2.764 -11.274 1.00 10.00 C ATOM 176 NE ARG A 13 -6.783 -4.121 -11.824 1.00 10.00 N ATOM 177 CZ ARG A 13 -6.052 -4.497 -12.878 1.00 10.00 C ATOM 178 NH1 ARG A 13 -5.339 -3.611 -13.563 1.00 10.00 N ATOM 179 NH2 ARG A 13 -6.052 -5.768 -13.258 1.00 10.00 N ATOM 0 H ARG A 13 -9.697 0.964 -10.012 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.318 -0.056 -9.180 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -8.688 -1.797 -9.618 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -9.639 -0.857 -10.751 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.844 -2.721 -11.979 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -7.872 -1.365 -12.514 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -5.944 -2.211 -11.627 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.743 -2.813 -10.188 1.00 10.00 H new ATOM 0 HE ARG A 13 -7.360 -4.830 -11.370 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -5.344 -2.629 -13.287 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -4.786 -3.912 -14.365 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -6.608 -6.453 -12.747 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -5.496 -6.060 -14.062 1.00 10.00 H new ATOM 193 N TYR A 14 -5.455 0.004 -10.794 1.00 10.00 N ATOM 194 CA TYR A 14 -4.261 0.167 -11.642 1.00 10.00 C ATOM 195 C TYR A 14 -4.584 0.108 -13.131 1.00 10.00 C ATOM 196 O TYR A 14 -4.905 -0.952 -13.669 1.00 10.00 O ATOM 197 CB TYR A 14 -3.239 -0.932 -11.328 1.00 10.00 C ATOM 198 CG TYR A 14 -1.800 -0.454 -11.225 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.175 0.239 -12.264 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.062 -0.708 -10.076 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.139 0.662 -12.147 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.248 -0.287 -9.957 1.00 10.00 C ATOM 203 CZ TYR A 14 0.842 0.397 -10.991 1.00 10.00 C ATOM 204 OH TYR A 14 2.147 0.814 -10.868 1.00 10.00 O ATOM 0 H TYR A 14 -5.249 -0.406 -9.883 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.856 1.154 -11.418 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.517 -1.409 -10.388 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.299 -1.696 -12.103 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.723 0.448 -13.171 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.522 -1.245 -9.260 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.611 1.197 -12.958 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.804 -0.494 -9.055 1.00 10.00 H new ATOM 0 HH TYR A 14 2.494 0.547 -9.991 1.00 10.00 H new ATOM 214 N ASP A 15 -4.497 1.251 -13.778 1.00 10.00 N ATOM 215 CA ASP A 15 -4.759 1.360 -15.198 1.00 10.00 C ATOM 216 C ASP A 15 -3.570 2.034 -15.844 1.00 10.00 C ATOM 217 O ASP A 15 -3.295 3.202 -15.587 1.00 10.00 O ATOM 218 CB ASP A 15 -6.039 2.156 -15.460 1.00 10.00 C ATOM 219 CG ASP A 15 -6.344 2.286 -16.936 1.00 10.00 C ATOM 220 OD1 ASP A 15 -6.450 1.248 -17.621 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.485 3.429 -17.418 1.00 10.00 O ATOM 0 H ASP A 15 -4.242 2.133 -13.333 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.905 0.367 -15.624 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.876 1.668 -14.960 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.942 3.150 -15.023 1.00 10.00 H new ATOM 226 N LYS A 16 -2.859 1.278 -16.656 1.00 10.00 N ATOM 227 CA LYS A 16 -1.660 1.758 -17.334 1.00 10.00 C ATOM 228 C LYS A 16 -1.905 3.037 -18.143 1.00 10.00 C ATOM 229 O LYS A 16 -0.991 3.847 -18.330 1.00 10.00 O ATOM 230 CB LYS A 16 -1.118 0.644 -18.238 1.00 10.00 C ATOM 231 CG LYS A 16 -1.222 0.958 -19.721 1.00 10.00 C ATOM 232 CD LYS A 16 -1.416 -0.293 -20.556 1.00 10.00 C ATOM 233 CE LYS A 16 -1.678 0.056 -22.014 1.00 10.00 C ATOM 234 NZ LYS A 16 -3.125 0.256 -22.291 1.00 10.00 N ATOM 0 H LYS A 16 -3.093 0.308 -16.869 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.925 2.017 -16.571 1.00 10.00 H new ATOM 0 HB2 LYS A 16 -0.073 0.460 -17.987 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -1.663 -0.277 -18.031 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.056 1.639 -19.889 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.319 1.474 -20.046 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -0.530 -0.923 -20.483 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.252 -0.871 -20.162 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.131 0.963 -22.273 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.294 -0.741 -22.651 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.276 0.323 -23.318 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.665 -0.549 -21.914 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.448 1.134 -21.835 1.00 10.00 H new ATOM 248 N ASP A 17 -3.128 3.210 -18.627 1.00 10.00 N ATOM 249 CA ASP A 17 -3.480 4.385 -19.418 1.00 10.00 C ATOM 250 C ASP A 17 -3.553 5.627 -18.549 1.00 10.00 C ATOM 251 O ASP A 17 -3.281 6.737 -19.004 1.00 10.00 O ATOM 252 CB ASP A 17 -4.820 4.174 -20.119 1.00 10.00 C ATOM 253 CG ASP A 17 -4.681 3.383 -21.399 1.00 10.00 C ATOM 254 OD1 ASP A 17 -4.760 2.138 -21.348 1.00 10.00 O ATOM 255 OD2 ASP A 17 -4.483 4.002 -22.464 1.00 10.00 O ATOM 0 H ASP A 17 -3.894 2.552 -18.486 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.699 4.527 -20.165 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.501 3.654 -19.446 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.268 5.143 -20.340 1.00 10.00 H new ATOM 260 N LYS A 18 -3.908 5.428 -17.294 1.00 10.00 N ATOM 261 CA LYS A 18 -4.027 6.527 -16.350 1.00 10.00 C ATOM 262 C LYS A 18 -2.711 6.699 -15.593 1.00 10.00 C ATOM 263 O LYS A 18 -1.997 5.726 -15.351 1.00 10.00 O ATOM 264 CB LYS A 18 -5.198 6.276 -15.392 1.00 10.00 C ATOM 265 CG LYS A 18 -4.817 5.610 -14.081 1.00 10.00 C ATOM 266 CD LYS A 18 -6.045 5.254 -13.256 1.00 10.00 C ATOM 267 CE LYS A 18 -6.903 6.476 -12.969 1.00 10.00 C ATOM 268 NZ LYS A 18 -8.121 6.508 -13.819 1.00 10.00 N ATOM 0 H LYS A 18 -4.120 4.511 -16.901 1.00 10.00 H new ATOM 0 HA LYS A 18 -4.233 7.452 -16.889 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.680 7.229 -15.173 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.936 5.654 -15.898 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -4.241 4.708 -14.285 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.173 6.277 -13.507 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -6.638 4.510 -13.788 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.733 4.800 -12.316 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.193 6.478 -11.918 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -6.317 7.379 -13.139 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -8.680 7.356 -13.594 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.844 6.532 -14.821 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.693 5.658 -13.638 1.00 10.00 H new ATOM 282 N PRO A 19 -2.347 7.935 -15.222 1.00 10.00 N ATOM 283 CA PRO A 19 -1.099 8.192 -14.523 1.00 10.00 C ATOM 284 C PRO A 19 -1.201 8.077 -13.002 1.00 10.00 C ATOM 285 O PRO A 19 -1.243 9.086 -12.292 1.00 10.00 O ATOM 286 CB PRO A 19 -0.781 9.626 -14.937 1.00 10.00 C ATOM 287 CG PRO A 19 -2.099 10.274 -15.231 1.00 10.00 C ATOM 288 CD PRO A 19 -3.106 9.174 -15.465 1.00 10.00 C ATOM 0 HA PRO A 19 -0.335 7.459 -14.782 1.00 10.00 H new ATOM 0 HB2 PRO A 19 -0.256 10.154 -14.141 1.00 10.00 H new ATOM 0 HB3 PRO A 19 -0.133 9.644 -15.813 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -2.409 10.906 -14.399 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -2.023 10.916 -16.108 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -3.956 9.260 -14.788 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.503 9.206 -16.480 1.00 10.00 H new ATOM 296 N VAL A 20 -1.231 6.843 -12.503 1.00 10.00 N ATOM 297 CA VAL A 20 -1.276 6.597 -11.065 1.00 10.00 C ATOM 298 C VAL A 20 -0.488 5.335 -10.725 1.00 10.00 C ATOM 299 O VAL A 20 -0.544 4.336 -11.442 1.00 10.00 O ATOM 300 CB VAL A 20 -2.719 6.474 -10.470 1.00 10.00 C ATOM 301 CG1 VAL A 20 -3.638 7.584 -10.958 1.00 10.00 C ATOM 302 CG2 VAL A 20 -3.336 5.103 -10.736 1.00 10.00 C ATOM 0 H VAL A 20 -1.225 5.998 -13.074 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.828 7.479 -10.607 1.00 10.00 H new ATOM 0 HB VAL A 20 -2.612 6.585 -9.391 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -4.627 7.457 -10.519 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -3.231 8.550 -10.661 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.715 7.541 -12.044 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -4.336 5.064 -10.305 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -3.397 4.934 -11.811 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.715 4.330 -10.282 1.00 10.00 H new ATOM 312 N SER A 21 0.279 5.412 -9.655 1.00 10.00 N ATOM 313 CA SER A 21 1.060 4.285 -9.186 1.00 10.00 C ATOM 314 C SER A 21 0.451 3.780 -7.886 1.00 10.00 C ATOM 315 O SER A 21 -0.341 4.490 -7.263 1.00 10.00 O ATOM 316 CB SER A 21 2.505 4.721 -8.956 1.00 10.00 C ATOM 317 OG SER A 21 2.552 5.940 -8.228 1.00 10.00 O ATOM 0 H SER A 21 0.378 6.254 -9.088 1.00 10.00 H new ATOM 0 HA SER A 21 1.052 3.487 -9.929 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.042 3.945 -8.410 1.00 10.00 H new ATOM 0 HB3 SER A 21 3.010 4.844 -9.914 1.00 10.00 H new ATOM 0 HG SER A 21 3.486 6.202 -8.089 1.00 10.00 H new ATOM 323 N PHE A 22 0.815 2.584 -7.462 1.00 10.00 N ATOM 324 CA PHE A 22 0.282 2.043 -6.226 1.00 10.00 C ATOM 325 C PHE A 22 1.378 2.018 -5.161 1.00 10.00 C ATOM 326 O PHE A 22 2.567 2.124 -5.466 1.00 10.00 O ATOM 327 CB PHE A 22 -0.325 0.651 -6.447 1.00 10.00 C ATOM 328 CG PHE A 22 -1.824 0.659 -6.651 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.402 1.319 -7.733 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.658 -0.004 -5.764 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.779 1.312 -7.917 1.00 10.00 C ATOM 332 CE2 PHE A 22 -4.030 -0.012 -5.946 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.589 0.645 -7.023 1.00 10.00 C ATOM 0 H PHE A 22 1.471 1.974 -7.950 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.524 2.687 -5.876 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.147 0.194 -7.316 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.089 0.022 -5.588 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -1.772 1.842 -8.437 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -2.231 -0.522 -4.918 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.214 1.829 -8.760 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.664 -0.533 -5.244 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.660 0.637 -7.165 1.00 10.00 H new ATOM 343 N HIS A 23 0.958 1.978 -3.911 1.00 10.00 N ATOM 344 CA HIS A 23 1.873 1.973 -2.758 1.00 10.00 C ATOM 345 C HIS A 23 1.190 1.329 -1.584 1.00 10.00 C ATOM 346 O HIS A 23 0.024 1.044 -1.656 1.00 10.00 O ATOM 347 CB HIS A 23 2.237 3.394 -2.315 1.00 10.00 C ATOM 348 CG HIS A 23 1.885 4.457 -3.285 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.643 5.196 -4.128 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.594 4.840 -3.493 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.785 6.007 -4.829 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.554 5.760 -4.412 1.00 10.00 N flip ATOM 0 H HIS A 23 -0.028 1.948 -3.653 1.00 10.00 H new ATOM 0 HA HIS A 23 2.770 1.435 -3.065 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.737 3.604 -1.370 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.309 3.436 -2.124 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.658 5.158 -4.224 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.265 4.441 -2.974 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.066 6.722 -5.588 1.00 10.00 H new ATOM 361 N LYS A 24 1.900 1.121 -0.502 1.00 10.00 N ATOM 362 CA LYS A 24 1.290 0.557 0.690 1.00 10.00 C ATOM 363 C LYS A 24 1.204 1.661 1.754 1.00 10.00 C ATOM 364 O LYS A 24 1.805 2.721 1.572 1.00 10.00 O ATOM 365 CB LYS A 24 2.099 -0.632 1.218 1.00 10.00 C ATOM 366 CG LYS A 24 2.098 -1.836 0.287 1.00 10.00 C ATOM 367 CD LYS A 24 1.639 -3.107 0.993 1.00 10.00 C ATOM 368 CE LYS A 24 2.416 -3.371 2.281 1.00 10.00 C ATOM 369 NZ LYS A 24 3.889 -3.354 2.069 1.00 10.00 N ATOM 0 H LYS A 24 2.895 1.330 -0.416 1.00 10.00 H new ATOM 0 HA LYS A 24 0.294 0.187 0.447 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.128 -0.314 1.385 1.00 10.00 H new ATOM 0 HB3 LYS A 24 1.697 -0.932 2.186 1.00 10.00 H new ATOM 0 HG2 LYS A 24 1.444 -1.637 -0.562 1.00 10.00 H new ATOM 0 HG3 LYS A 24 3.101 -1.986 -0.112 1.00 10.00 H new ATOM 0 HD2 LYS A 24 0.576 -3.028 1.223 1.00 10.00 H new ATOM 0 HD3 LYS A 24 1.757 -3.956 0.320 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.150 -2.618 3.023 1.00 10.00 H new ATOM 0 HE3 LYS A 24 2.121 -4.338 2.688 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.368 -3.686 2.930 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 4.133 -3.979 1.275 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.198 -2.384 1.854 1.00 10.00 H new ATOM 383 N PHE A 25 0.440 1.449 2.828 1.00 10.00 N ATOM 384 CA PHE A 25 0.323 2.455 3.899 1.00 10.00 C ATOM 385 C PHE A 25 1.688 2.786 4.507 1.00 10.00 C ATOM 386 O PHE A 25 2.619 1.981 4.427 1.00 10.00 O ATOM 387 CB PHE A 25 -0.563 1.946 5.039 1.00 10.00 C ATOM 388 CG PHE A 25 -1.957 2.528 5.083 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.875 2.244 4.098 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.349 3.344 6.133 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.157 2.765 4.144 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.627 3.864 6.192 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.532 3.576 5.193 1.00 10.00 C ATOM 0 H PHE A 25 -0.104 0.600 2.983 1.00 10.00 H new ATOM 0 HA PHE A 25 -0.113 3.341 3.438 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.642 0.862 4.959 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -0.067 2.161 5.986 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.591 1.604 3.276 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.644 3.577 6.917 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.862 2.536 3.359 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.917 4.495 7.019 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.531 3.984 5.232 1.00 10.00 H new ATOM 403 N PRO A 26 1.816 3.973 5.134 1.00 10.00 N ATOM 404 CA PRO A 26 3.051 4.392 5.811 1.00 10.00 C ATOM 405 C PRO A 26 3.263 3.569 7.078 1.00 10.00 C ATOM 406 O PRO A 26 3.075 4.056 8.191 1.00 10.00 O ATOM 407 CB PRO A 26 2.759 5.845 6.183 1.00 10.00 C ATOM 408 CG PRO A 26 1.284 5.888 6.324 1.00 10.00 C ATOM 409 CD PRO A 26 0.772 5.013 5.225 1.00 10.00 C ATOM 0 HA PRO A 26 3.943 4.266 5.198 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.257 6.128 7.110 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.107 6.532 5.412 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.969 5.522 7.301 1.00 10.00 H new ATOM 0 HG3 PRO A 26 0.907 6.906 6.228 1.00 10.00 H new ATOM 0 HD2 PRO A 26 -0.203 4.589 5.464 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.661 5.560 4.289 1.00 10.00 H new ATOM 417 N LEU A 27 3.656 2.321 6.902 1.00 10.00 N ATOM 418 CA LEU A 27 3.839 1.412 8.014 1.00 10.00 C ATOM 419 C LEU A 27 5.009 1.823 8.875 1.00 10.00 C ATOM 420 O LEU A 27 5.085 1.478 10.052 1.00 10.00 O ATOM 421 CB LEU A 27 4.017 -0.007 7.491 1.00 10.00 C ATOM 422 CG LEU A 27 2.706 -0.685 7.085 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.948 -2.116 6.632 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.725 -0.649 8.244 1.00 10.00 C ATOM 0 H LEU A 27 3.856 1.912 5.989 1.00 10.00 H new ATOM 0 HA LEU A 27 2.949 1.449 8.643 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.686 0.014 6.631 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.504 -0.609 8.258 1.00 10.00 H new ATOM 0 HG LEU A 27 2.280 -0.138 6.244 1.00 10.00 H new ATOM 0 HD11 LEU A 27 2.000 -2.573 6.350 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.621 -2.117 5.775 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.397 -2.685 7.447 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.794 -1.133 7.948 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.152 -1.174 9.098 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.524 0.387 8.518 1.00 10.00 H new ATOM 436 N THR A 28 5.905 2.579 8.291 1.00 10.00 N ATOM 437 CA THR A 28 7.070 3.040 9.003 1.00 10.00 C ATOM 438 C THR A 28 6.836 4.434 9.578 1.00 10.00 C ATOM 439 O THR A 28 7.757 5.097 10.061 1.00 10.00 O ATOM 440 CB THR A 28 8.288 3.016 8.073 1.00 10.00 C ATOM 441 OG1 THR A 28 8.127 3.977 7.023 1.00 10.00 O ATOM 442 CG2 THR A 28 8.431 1.631 7.470 1.00 10.00 C ATOM 0 H THR A 28 5.849 2.889 7.321 1.00 10.00 H new ATOM 0 HA THR A 28 7.263 2.371 9.841 1.00 10.00 H new ATOM 0 HB THR A 28 9.180 3.264 8.648 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.983 4.423 6.854 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.296 1.610 6.808 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.566 0.899 8.267 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.533 1.387 6.902 1.00 10.00 H new ATOM 450 N ARG A 29 5.582 4.868 9.526 1.00 10.00 N ATOM 451 CA ARG A 29 5.180 6.162 10.055 1.00 10.00 C ATOM 452 C ARG A 29 3.767 6.026 10.614 1.00 10.00 C ATOM 453 O ARG A 29 2.844 6.665 10.129 1.00 10.00 O ATOM 454 CB ARG A 29 5.223 7.207 8.938 1.00 10.00 C ATOM 455 CG ARG A 29 5.410 8.637 9.415 1.00 10.00 C ATOM 456 CD ARG A 29 5.870 9.540 8.277 1.00 10.00 C ATOM 457 NE ARG A 29 7.161 10.182 8.553 1.00 10.00 N ATOM 458 CZ ARG A 29 8.338 9.549 8.593 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.412 8.246 8.366 1.00 10.00 N ATOM 460 NH2 ARG A 29 9.444 10.226 8.854 1.00 10.00 N ATOM 0 H ARG A 29 4.817 4.332 9.116 1.00 10.00 H new ATOM 0 HA ARG A 29 5.857 6.484 10.847 1.00 10.00 H new ATOM 0 HB2 ARG A 29 6.035 6.957 8.256 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.297 7.147 8.367 1.00 10.00 H new ATOM 0 HG2 ARG A 29 4.472 9.012 9.825 1.00 10.00 H new ATOM 0 HG3 ARG A 29 6.143 8.662 10.222 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.948 8.954 7.362 1.00 10.00 H new ATOM 0 HD3 ARG A 29 5.117 10.308 8.100 1.00 10.00 H new ATOM 0 HE ARG A 29 7.160 11.187 8.727 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.566 7.716 8.158 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.315 7.773 8.399 1.00 10.00 H new ATOM 0 HH21 ARG A 29 9.399 11.231 9.025 1.00 10.00 H new ATOM 0 HH22 ARG A 29 10.342 9.743 8.885 1.00 10.00 H new ATOM 474 N PRO A 30 3.594 5.175 11.647 1.00 10.00 N ATOM 475 CA PRO A 30 2.289 4.880 12.257 1.00 10.00 C ATOM 476 C PRO A 30 1.425 6.093 12.576 1.00 10.00 C ATOM 477 O PRO A 30 0.277 6.135 12.168 1.00 10.00 O ATOM 478 CB PRO A 30 2.634 4.162 13.552 1.00 10.00 C ATOM 479 CG PRO A 30 4.116 4.243 13.698 1.00 10.00 C ATOM 480 CD PRO A 30 4.660 4.423 12.318 1.00 10.00 C ATOM 0 HA PRO A 30 1.690 4.306 11.550 1.00 10.00 H new ATOM 0 HB2 PRO A 30 2.134 4.630 14.400 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.303 3.124 13.520 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.399 5.077 14.340 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.512 3.338 14.158 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.602 4.972 12.322 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.850 3.467 11.830 1.00 10.00 H new ATOM 488 N SER A 31 1.952 7.061 13.322 1.00 10.00 N ATOM 489 CA SER A 31 1.177 8.257 13.661 1.00 10.00 C ATOM 490 C SER A 31 0.571 8.840 12.396 1.00 10.00 C ATOM 491 O SER A 31 -0.629 9.091 12.314 1.00 10.00 O ATOM 492 CB SER A 31 2.073 9.281 14.354 1.00 10.00 C ATOM 493 OG SER A 31 3.423 9.146 13.930 1.00 10.00 O ATOM 0 H SER A 31 2.899 7.045 13.700 1.00 10.00 H new ATOM 0 HA SER A 31 0.372 7.990 14.346 1.00 10.00 H new ATOM 0 HB2 SER A 31 1.718 10.288 14.134 1.00 10.00 H new ATOM 0 HB3 SER A 31 2.013 9.150 15.434 1.00 10.00 H new ATOM 0 HG SER A 31 3.977 9.813 14.386 1.00 10.00 H new ATOM 499 N LEU A 32 1.416 8.974 11.393 1.00 10.00 N ATOM 500 CA LEU A 32 1.014 9.479 10.103 1.00 10.00 C ATOM 501 C LEU A 32 0.019 8.507 9.475 1.00 10.00 C ATOM 502 O LEU A 32 -0.987 8.908 8.899 1.00 10.00 O ATOM 503 CB LEU A 32 2.273 9.638 9.239 1.00 10.00 C ATOM 504 CG LEU A 32 2.112 10.333 7.889 1.00 10.00 C ATOM 505 CD1 LEU A 32 1.975 9.320 6.775 1.00 10.00 C ATOM 506 CD2 LEU A 32 0.927 11.259 7.913 1.00 10.00 C ATOM 0 H LEU A 32 2.405 8.733 11.454 1.00 10.00 H new ATOM 0 HA LEU A 32 0.524 10.449 10.191 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.012 10.192 9.818 1.00 10.00 H new ATOM 0 HB3 LEU A 32 2.687 8.646 9.060 1.00 10.00 H new ATOM 0 HG LEU A 32 3.008 10.924 7.700 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.862 9.839 5.823 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.866 8.693 6.742 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.099 8.697 6.955 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.826 11.746 6.943 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.024 10.688 8.128 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.071 12.014 8.685 1.00 10.00 H new ATOM 518 N CYS A 33 0.266 7.224 9.680 1.00 10.00 N ATOM 519 CA CYS A 33 -0.581 6.177 9.139 1.00 10.00 C ATOM 520 C CYS A 33 -1.984 6.353 9.674 1.00 10.00 C ATOM 521 O CYS A 33 -2.983 6.208 8.973 1.00 10.00 O ATOM 522 CB CYS A 33 -0.027 4.832 9.607 1.00 10.00 C ATOM 523 SG CYS A 33 -0.717 3.375 8.798 1.00 10.00 S ATOM 0 H CYS A 33 1.057 6.881 10.225 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.600 6.222 8.050 1.00 10.00 H new ATOM 0 HB2 CYS A 33 1.052 4.832 9.455 1.00 10.00 H new ATOM 0 HB3 CYS A 33 -0.197 4.744 10.680 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.109 3.689 7.599 1.00 10.00 H new ATOM 529 N LYS A 34 -2.015 6.759 10.920 1.00 10.00 N ATOM 530 CA LYS A 34 -3.231 6.935 11.654 1.00 10.00 C ATOM 531 C LYS A 34 -4.081 8.085 11.124 1.00 10.00 C ATOM 532 O LYS A 34 -5.313 7.992 11.141 1.00 10.00 O ATOM 533 CB LYS A 34 -2.861 7.119 13.115 1.00 10.00 C ATOM 534 CG LYS A 34 -3.826 7.964 13.923 1.00 10.00 C ATOM 535 CD LYS A 34 -3.059 9.005 14.722 1.00 10.00 C ATOM 536 CE LYS A 34 -3.754 9.339 16.031 1.00 10.00 C ATOM 537 NZ LYS A 34 -3.056 10.423 16.768 1.00 10.00 N ATOM 0 H LYS A 34 -1.176 6.979 11.457 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.860 6.053 11.534 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.785 6.136 13.581 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.872 7.574 13.168 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.537 8.455 13.259 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.403 7.330 14.596 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -2.054 8.637 14.928 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.950 9.912 14.127 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -4.782 9.641 15.830 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -3.800 8.447 16.655 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -3.561 10.621 17.655 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -2.083 10.126 16.983 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -3.034 11.282 16.183 1.00 10.00 H new ATOM 551 N GLU A 35 -3.473 9.148 10.599 1.00 10.00 N ATOM 552 CA GLU A 35 -4.308 10.239 10.117 1.00 10.00 C ATOM 553 C GLU A 35 -4.962 9.842 8.820 1.00 10.00 C ATOM 554 O GLU A 35 -5.973 10.424 8.437 1.00 10.00 O ATOM 555 CB GLU A 35 -3.591 11.564 9.944 1.00 10.00 C ATOM 556 CG GLU A 35 -2.133 11.455 9.596 1.00 10.00 C ATOM 557 CD GLU A 35 -1.368 12.689 9.995 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.434 13.700 9.270 1.00 10.00 O ATOM 559 OE2 GLU A 35 -0.714 12.661 11.056 1.00 10.00 O ATOM 0 H GLU A 35 -2.466 9.274 10.501 1.00 10.00 H new ATOM 0 HA GLU A 35 -5.050 10.408 10.898 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -4.094 12.133 9.163 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.687 12.136 10.867 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.705 10.585 10.094 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -2.027 11.293 8.523 1.00 10.00 H new ATOM 566 N TRP A 36 -4.405 8.841 8.143 1.00 10.00 N ATOM 567 CA TRP A 36 -5.006 8.383 6.912 1.00 10.00 C ATOM 568 C TRP A 36 -6.387 7.860 7.252 1.00 10.00 C ATOM 569 O TRP A 36 -7.332 8.045 6.492 1.00 10.00 O ATOM 570 CB TRP A 36 -4.140 7.320 6.227 1.00 10.00 C ATOM 571 CG TRP A 36 -2.845 7.873 5.697 1.00 10.00 C ATOM 572 CD1 TRP A 36 -2.117 8.893 6.238 1.00 10.00 C ATOM 573 CD2 TRP A 36 -2.128 7.447 4.530 1.00 10.00 C ATOM 574 NE1 TRP A 36 -1.002 9.138 5.481 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.978 8.259 4.432 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.341 6.465 3.553 1.00 10.00 C ATOM 577 CZ2 TRP A 36 -0.049 8.118 3.405 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.416 6.329 2.534 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.281 7.152 2.468 1.00 10.00 C ATOM 0 H TRP A 36 -3.558 8.347 8.424 1.00 10.00 H new ATOM 0 HA TRP A 36 -5.085 9.202 6.197 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.925 6.521 6.937 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.702 6.874 5.406 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -2.383 9.431 7.136 1.00 10.00 H new ATOM 0 HE1 TRP A 36 -0.304 9.858 5.668 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.211 5.827 3.595 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 0.825 8.750 3.351 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.570 5.576 1.775 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.423 7.019 1.660 1.00 10.00 H new ATOM 590 N GLU A 37 -6.515 7.315 8.467 1.00 10.00 N ATOM 591 CA GLU A 37 -7.789 6.793 8.935 1.00 10.00 C ATOM 592 C GLU A 37 -8.784 7.949 9.051 1.00 10.00 C ATOM 593 O GLU A 37 -9.968 7.802 8.751 1.00 10.00 O ATOM 594 CB GLU A 37 -7.631 6.111 10.305 1.00 10.00 C ATOM 595 CG GLU A 37 -6.431 5.179 10.417 1.00 10.00 C ATOM 596 CD GLU A 37 -6.662 3.801 9.835 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.550 3.081 10.336 1.00 10.00 O ATOM 598 OE2 GLU A 37 -5.917 3.408 8.916 1.00 10.00 O ATOM 0 H GLU A 37 -5.751 7.227 9.137 1.00 10.00 H new ATOM 0 HA GLU A 37 -8.152 6.051 8.223 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.549 6.881 11.072 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.536 5.543 10.520 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.581 5.637 9.912 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.161 5.077 11.468 1.00 10.00 H new ATOM 605 N ALA A 38 -8.259 9.121 9.421 1.00 10.00 N ATOM 606 CA ALA A 38 -9.060 10.325 9.593 1.00 10.00 C ATOM 607 C ALA A 38 -9.691 10.750 8.273 1.00 10.00 C ATOM 608 O ALA A 38 -10.737 11.404 8.250 1.00 10.00 O ATOM 609 CB ALA A 38 -8.210 11.452 10.173 1.00 10.00 C ATOM 0 H ALA A 38 -7.266 9.256 9.609 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.864 10.104 10.295 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.824 12.345 10.295 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.815 11.148 11.142 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.384 11.670 9.496 1.00 10.00 H new ATOM 615 N ALA A 39 -9.061 10.361 7.172 1.00 10.00 N ATOM 616 CA ALA A 39 -9.575 10.693 5.861 1.00 10.00 C ATOM 617 C ALA A 39 -10.569 9.627 5.416 1.00 10.00 C ATOM 618 O ALA A 39 -11.489 9.899 4.645 1.00 10.00 O ATOM 619 CB ALA A 39 -8.443 10.847 4.862 1.00 10.00 C ATOM 0 H ALA A 39 -8.198 9.818 7.166 1.00 10.00 H new ATOM 0 HA ALA A 39 -10.094 11.650 5.912 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.853 11.097 3.883 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.775 11.643 5.189 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.887 9.912 4.795 1.00 10.00 H new ATOM 625 N VAL A 40 -10.399 8.413 5.940 1.00 10.00 N ATOM 626 CA VAL A 40 -11.282 7.299 5.612 1.00 10.00 C ATOM 627 C VAL A 40 -12.453 7.275 6.593 1.00 10.00 C ATOM 628 O VAL A 40 -12.777 6.247 7.182 1.00 10.00 O ATOM 629 CB VAL A 40 -10.560 5.945 5.681 1.00 10.00 C ATOM 630 CG1 VAL A 40 -11.278 4.920 4.821 1.00 10.00 C ATOM 631 CG2 VAL A 40 -9.102 6.064 5.255 1.00 10.00 C ATOM 0 H VAL A 40 -9.654 8.178 6.596 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.628 7.449 4.589 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.576 5.613 6.719 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.755 3.965 4.880 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -12.300 4.796 5.179 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.295 5.261 3.786 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.624 5.086 5.317 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -9.051 6.429 4.229 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.586 6.762 5.914 1.00 10.00 H new ATOM 641 N ARG A 41 -13.076 8.427 6.758 1.00 10.00 N ATOM 642 CA ARG A 41 -14.207 8.597 7.680 1.00 10.00 C ATOM 643 C ARG A 41 -15.493 7.936 7.168 1.00 10.00 C ATOM 644 O ARG A 41 -16.576 8.169 7.709 1.00 10.00 O ATOM 645 CB ARG A 41 -14.457 10.089 7.932 1.00 10.00 C ATOM 646 CG ARG A 41 -15.090 10.826 6.755 1.00 10.00 C ATOM 647 CD ARG A 41 -14.044 11.430 5.831 1.00 10.00 C ATOM 648 NE ARG A 41 -13.184 12.394 6.522 1.00 10.00 N ATOM 649 CZ ARG A 41 -13.413 13.708 6.556 1.00 10.00 C ATOM 650 NH1 ARG A 41 -14.508 14.215 5.992 1.00 10.00 N ATOM 651 NH2 ARG A 41 -12.555 14.515 7.169 1.00 10.00 N ATOM 0 H ARG A 41 -12.819 9.279 6.260 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.937 8.099 8.611 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -15.104 10.195 8.803 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -13.509 10.568 8.179 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -15.717 10.136 6.190 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -15.742 11.615 7.130 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -13.430 10.634 5.411 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -14.541 11.923 4.996 1.00 10.00 H new ATOM 0 HE ARG A 41 -12.360 12.039 7.007 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -15.177 13.598 5.531 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -14.678 15.220 6.021 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -11.721 14.130 7.613 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -12.729 15.520 7.195 1.00 10.00 H new ATOM 665 N ARG A 42 -15.374 7.114 6.142 1.00 10.00 N ATOM 666 CA ARG A 42 -16.530 6.438 5.576 1.00 10.00 C ATOM 667 C ARG A 42 -16.880 5.204 6.398 1.00 10.00 C ATOM 668 O ARG A 42 -15.995 4.554 6.955 1.00 10.00 O ATOM 669 CB ARG A 42 -16.250 6.022 4.134 1.00 10.00 C ATOM 670 CG ARG A 42 -17.508 5.839 3.300 1.00 10.00 C ATOM 671 CD ARG A 42 -18.092 7.173 2.860 1.00 10.00 C ATOM 672 NE ARG A 42 -19.476 7.043 2.402 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.827 6.671 1.170 1.00 10.00 C ATOM 674 NH1 ARG A 42 -18.901 6.394 0.261 1.00 10.00 N ATOM 675 NH2 ARG A 42 -21.112 6.575 0.848 1.00 10.00 N ATOM 0 H ARG A 42 -14.489 6.897 5.683 1.00 10.00 H new ATOM 0 HA ARG A 42 -17.371 7.131 5.594 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.618 6.775 3.663 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -15.686 5.089 4.136 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -17.278 5.236 2.422 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.251 5.290 3.878 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -18.050 7.878 3.690 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.482 7.588 2.058 1.00 10.00 H new ATOM 0 HE ARG A 42 -20.220 7.250 3.068 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -17.912 6.465 0.502 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -19.178 6.110 -0.679 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -21.829 6.786 1.542 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -21.382 6.291 -0.094 1.00 10.00 H new ATOM 689 N LYS A 43 -18.171 4.887 6.470 1.00 10.00 N ATOM 690 CA LYS A 43 -18.637 3.713 7.208 1.00 10.00 C ATOM 691 C LYS A 43 -17.941 2.462 6.705 1.00 10.00 C ATOM 692 O LYS A 43 -17.402 1.674 7.485 1.00 10.00 O ATOM 693 CB LYS A 43 -20.156 3.549 7.059 1.00 10.00 C ATOM 694 CG LYS A 43 -20.616 2.093 7.090 1.00 10.00 C ATOM 695 CD LYS A 43 -22.123 1.963 6.970 1.00 10.00 C ATOM 696 CE LYS A 43 -22.558 0.504 7.023 1.00 10.00 C ATOM 697 NZ LYS A 43 -24.026 0.361 6.858 1.00 10.00 N ATOM 0 H LYS A 43 -18.914 5.427 6.026 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.397 3.858 8.261 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.653 4.096 7.860 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.472 4.002 6.119 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -20.140 1.547 6.276 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.286 1.630 8.020 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.603 2.518 7.776 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.455 2.410 6.033 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -22.048 -0.056 6.240 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -22.255 0.069 7.975 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -24.284 -0.646 6.900 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -24.513 0.875 7.620 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -24.312 0.754 5.938 1.00 10.00 H new ATOM 711 N ASN A 44 -17.943 2.294 5.395 1.00 10.00 N ATOM 712 CA ASN A 44 -17.321 1.141 4.785 1.00 10.00 C ATOM 713 C ASN A 44 -15.823 1.360 4.619 1.00 10.00 C ATOM 714 O ASN A 44 -15.323 1.471 3.498 1.00 10.00 O ATOM 715 CB ASN A 44 -17.966 0.805 3.434 1.00 10.00 C ATOM 716 CG ASN A 44 -18.604 2.003 2.752 1.00 10.00 C ATOM 717 OD1 ASN A 44 -17.917 2.893 2.252 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.929 2.029 2.721 1.00 10.00 N ATOM 0 H ASN A 44 -18.370 2.944 4.735 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.477 0.293 5.451 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.209 0.382 2.774 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.724 0.036 3.584 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -20.413 2.806 2.271 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -20.464 1.272 3.147 1.00 10.00 H new ATOM 725 N PHE A 45 -15.128 1.482 5.749 1.00 10.00 N ATOM 726 CA PHE A 45 -13.677 1.648 5.753 1.00 10.00 C ATOM 727 C PHE A 45 -13.055 0.479 4.986 1.00 10.00 C ATOM 728 O PHE A 45 -13.222 -0.684 5.365 1.00 10.00 O ATOM 729 CB PHE A 45 -13.147 1.720 7.207 1.00 10.00 C ATOM 730 CG PHE A 45 -11.679 2.075 7.341 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.707 1.223 6.859 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.274 3.256 7.953 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.368 1.525 6.966 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.932 3.566 8.067 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.977 2.700 7.570 1.00 10.00 C ATOM 0 H PHE A 45 -15.550 1.469 6.678 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.402 2.583 5.264 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.734 2.457 7.755 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.317 0.756 7.687 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -11.003 0.298 6.387 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -12.015 3.938 8.343 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.626 0.843 6.578 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.630 4.486 8.545 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.928 2.943 7.655 1.00 10.00 H new ATOM 745 N LYS A 46 -12.375 0.811 3.894 1.00 10.00 N ATOM 746 CA LYS A 46 -11.727 -0.164 3.020 1.00 10.00 C ATOM 747 C LYS A 46 -10.596 -0.910 3.744 1.00 10.00 C ATOM 748 O LYS A 46 -10.382 -0.689 4.925 1.00 10.00 O ATOM 749 CB LYS A 46 -11.230 0.569 1.771 1.00 10.00 C ATOM 750 CG LYS A 46 -11.904 0.080 0.502 1.00 10.00 C ATOM 751 CD LYS A 46 -12.609 1.199 -0.241 1.00 10.00 C ATOM 752 CE LYS A 46 -13.866 0.699 -0.930 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.634 -0.588 -1.636 1.00 10.00 N ATOM 0 H LYS A 46 -12.256 1.776 3.586 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.444 -0.931 2.725 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.410 1.638 1.885 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.152 0.435 1.680 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -11.159 -0.374 -0.151 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.625 -0.698 0.752 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -12.867 1.996 0.457 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.933 1.629 -0.980 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.658 0.571 -0.192 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -14.212 1.447 -1.643 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.333 -0.697 -2.399 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -12.676 -0.594 -2.041 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.731 -1.375 -0.963 1.00 10.00 H new ATOM 767 N PRO A 47 -9.870 -1.827 3.065 1.00 10.00 N ATOM 768 CA PRO A 47 -8.789 -2.588 3.695 1.00 10.00 C ATOM 769 C PRO A 47 -7.808 -1.726 4.471 1.00 10.00 C ATOM 770 O PRO A 47 -7.666 -0.523 4.241 1.00 10.00 O ATOM 771 CB PRO A 47 -8.109 -3.282 2.528 1.00 10.00 C ATOM 772 CG PRO A 47 -9.177 -3.420 1.503 1.00 10.00 C ATOM 773 CD PRO A 47 -10.043 -2.204 1.652 1.00 10.00 C ATOM 0 HA PRO A 47 -9.177 -3.276 4.446 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.271 -2.696 2.151 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.712 -4.254 2.821 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.752 -3.478 0.501 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.753 -4.332 1.658 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.729 -1.404 0.982 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -11.085 -2.423 1.420 1.00 10.00 H new ATOM 781 N THR A 48 -7.080 -2.389 5.339 1.00 10.00 N ATOM 782 CA THR A 48 -6.155 -1.738 6.235 1.00 10.00 C ATOM 783 C THR A 48 -4.855 -1.344 5.577 1.00 10.00 C ATOM 784 O THR A 48 -4.686 -1.457 4.364 1.00 10.00 O ATOM 785 CB THR A 48 -5.843 -2.678 7.399 1.00 10.00 C ATOM 786 OG1 THR A 48 -5.001 -3.761 6.953 1.00 10.00 O ATOM 787 CG2 THR A 48 -7.124 -3.253 7.936 1.00 10.00 C ATOM 0 H THR A 48 -7.114 -3.403 5.443 1.00 10.00 H new ATOM 0 HA THR A 48 -6.638 -0.821 6.571 1.00 10.00 H new ATOM 0 HB THR A 48 -5.328 -2.113 8.176 1.00 10.00 H new ATOM 0 HG1 THR A 48 -5.182 -4.559 7.492 1.00 10.00 H new ATOM 0 HG21 THR A 48 -6.902 -3.924 8.766 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.768 -2.445 8.284 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.632 -3.808 7.148 1.00 10.00 H new ATOM 795 N LYS A 49 -3.926 -0.931 6.428 1.00 10.00 N ATOM 796 CA LYS A 49 -2.613 -0.485 6.018 1.00 10.00 C ATOM 797 C LYS A 49 -1.814 -1.562 5.299 1.00 10.00 C ATOM 798 O LYS A 49 -0.730 -1.285 4.786 1.00 10.00 O ATOM 799 CB LYS A 49 -1.830 0.030 7.227 1.00 10.00 C ATOM 800 CG LYS A 49 -2.147 -0.669 8.541 1.00 10.00 C ATOM 801 CD LYS A 49 -2.778 0.296 9.539 1.00 10.00 C ATOM 802 CE LYS A 49 -4.296 0.309 9.431 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.913 1.343 10.301 1.00 10.00 N ATOM 0 H LYS A 49 -4.071 -0.898 7.437 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.766 0.323 5.303 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.764 -0.076 7.024 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -2.028 1.096 7.342 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.825 -1.503 8.358 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.233 -1.088 8.963 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.488 0.013 10.551 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -2.393 1.301 9.366 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.583 0.490 8.395 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.686 -0.672 9.703 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.909 1.099 10.477 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -4.402 1.386 11.206 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.861 2.269 9.830 1.00 10.00 H new ATOM 817 N TYR A 50 -2.317 -2.791 5.253 1.00 10.00 N ATOM 818 CA TYR A 50 -1.597 -3.816 4.546 1.00 10.00 C ATOM 819 C TYR A 50 -1.907 -3.697 3.068 1.00 10.00 C ATOM 820 O TYR A 50 -1.104 -4.069 2.223 1.00 10.00 O ATOM 821 CB TYR A 50 -1.978 -5.196 5.036 1.00 10.00 C ATOM 822 CG TYR A 50 -1.469 -5.548 6.411 1.00 10.00 C ATOM 823 CD1 TYR A 50 -0.130 -5.831 6.616 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.340 -5.672 7.482 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.331 -6.240 7.846 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.883 -6.063 8.729 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.546 -6.354 8.898 1.00 10.00 C ATOM 828 OH TYR A 50 -0.091 -6.810 10.108 1.00 10.00 O ATOM 0 H TYR A 50 -3.193 -3.085 5.685 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.530 -3.681 4.725 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -3.065 -5.278 5.036 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.603 -5.933 4.326 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.565 -5.729 5.796 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.390 -5.461 7.342 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.377 -6.470 7.984 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.567 -6.139 9.561 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.832 -6.832 10.749 1.00 10.00 H new ATOM 838 N SER A 51 -3.084 -3.170 2.764 1.00 10.00 N ATOM 839 CA SER A 51 -3.488 -3.000 1.388 1.00 10.00 C ATOM 840 C SER A 51 -2.697 -1.868 0.747 1.00 10.00 C ATOM 841 O SER A 51 -1.970 -1.141 1.429 1.00 10.00 O ATOM 842 CB SER A 51 -4.985 -2.759 1.294 1.00 10.00 C ATOM 843 OG SER A 51 -5.648 -3.966 0.948 1.00 10.00 O ATOM 0 H SER A 51 -3.769 -2.856 3.452 1.00 10.00 H new ATOM 0 HA SER A 51 -3.271 -3.916 0.839 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.363 -2.387 2.246 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.193 -1.993 0.547 1.00 10.00 H new ATOM 0 HG SER A 51 -6.460 -3.759 0.440 1.00 10.00 H new ATOM 849 N SER A 52 -2.841 -1.719 -0.552 1.00 10.00 N ATOM 850 CA SER A 52 -2.101 -0.721 -1.272 1.00 10.00 C ATOM 851 C SER A 52 -3.000 0.429 -1.761 1.00 10.00 C ATOM 852 O SER A 52 -4.161 0.228 -2.124 1.00 10.00 O ATOM 853 CB SER A 52 -1.338 -1.412 -2.402 1.00 10.00 C ATOM 854 OG SER A 52 -1.950 -2.664 -2.770 1.00 10.00 O ATOM 0 H SER A 52 -3.468 -2.281 -1.128 1.00 10.00 H new ATOM 0 HA SER A 52 -1.382 -0.242 -0.607 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.301 -0.755 -3.271 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.308 -1.588 -2.092 1.00 10.00 H new ATOM 0 HG SER A 52 -1.438 -3.078 -3.496 1.00 10.00 H new ATOM 860 N ILE A 53 -2.431 1.636 -1.750 1.00 10.00 N ATOM 861 CA ILE A 53 -3.122 2.866 -2.126 1.00 10.00 C ATOM 862 C ILE A 53 -2.516 3.411 -3.426 1.00 10.00 C ATOM 863 O ILE A 53 -1.435 2.991 -3.810 1.00 10.00 O ATOM 864 CB ILE A 53 -3.006 3.913 -0.970 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.660 3.391 0.318 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.637 5.242 -1.349 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.849 2.347 1.061 1.00 10.00 C ATOM 0 H ILE A 53 -1.460 1.786 -1.475 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.179 2.662 -2.294 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.941 4.069 -0.795 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.841 4.234 0.985 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.633 2.967 0.070 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.536 5.942 -0.520 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.135 5.646 -2.228 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.694 5.093 -1.571 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.388 2.037 1.956 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.690 1.483 0.416 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.885 2.770 1.346 1.00 10.00 H new ATOM 879 N CYS A 54 -3.179 4.355 -4.094 1.00 10.00 N ATOM 880 CA CYS A 54 -2.669 4.879 -5.353 1.00 10.00 C ATOM 881 C CYS A 54 -2.339 6.386 -5.292 1.00 10.00 C ATOM 882 O CYS A 54 -2.843 7.121 -4.442 1.00 10.00 O ATOM 883 CB CYS A 54 -3.646 4.556 -6.478 1.00 10.00 C ATOM 884 SG CYS A 54 -5.248 5.347 -6.318 1.00 10.00 S ATOM 0 H CYS A 54 -4.060 4.766 -3.786 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.719 4.385 -5.556 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -3.200 4.854 -7.427 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.790 3.476 -6.519 1.00 10.00 H new ATOM 0 HG CYS A 54 -6.001 5.009 -7.322 1.00 10.00 H new ATOM 889 N SER A 55 -1.455 6.786 -6.216 1.00 10.00 N ATOM 890 CA SER A 55 -0.903 8.153 -6.359 1.00 10.00 C ATOM 891 C SER A 55 -1.877 9.299 -6.099 1.00 10.00 C ATOM 892 O SER A 55 -1.670 10.075 -5.173 1.00 10.00 O ATOM 893 CB SER A 55 -0.315 8.296 -7.770 1.00 10.00 C ATOM 894 OG SER A 55 0.001 9.643 -8.090 1.00 10.00 O ATOM 0 H SER A 55 -1.085 6.144 -6.917 1.00 10.00 H new ATOM 0 HA SER A 55 -0.150 8.248 -5.577 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.585 7.686 -7.849 1.00 10.00 H new ATOM 0 HB3 SER A 55 -1.028 7.910 -8.499 1.00 10.00 H new ATOM 0 HG SER A 55 0.918 9.841 -7.805 1.00 10.00 H new ATOM 900 N GLU A 56 -2.885 9.407 -6.955 1.00 10.00 N ATOM 901 CA GLU A 56 -3.910 10.465 -6.914 1.00 10.00 C ATOM 902 C GLU A 56 -4.355 10.908 -5.519 1.00 10.00 C ATOM 903 O GLU A 56 -4.815 12.031 -5.356 1.00 10.00 O ATOM 904 CB GLU A 56 -5.135 9.972 -7.680 1.00 10.00 C ATOM 905 CG GLU A 56 -5.252 8.457 -7.666 1.00 10.00 C ATOM 906 CD GLU A 56 -6.676 7.956 -7.732 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.390 8.311 -8.682 1.00 10.00 O ATOM 908 OE2 GLU A 56 -7.078 7.173 -6.830 1.00 10.00 O ATOM 0 H GLU A 56 -3.024 8.748 -7.721 1.00 10.00 H new ATOM 0 HA GLU A 56 -3.445 11.344 -7.361 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.034 10.408 -7.243 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.081 10.321 -8.711 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.694 8.051 -8.510 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.783 8.074 -6.760 1.00 10.00 H new ATOM 915 N HIS A 57 -4.213 10.052 -4.526 1.00 10.00 N ATOM 916 CA HIS A 57 -4.669 10.379 -3.183 1.00 10.00 C ATOM 917 C HIS A 57 -3.715 11.306 -2.428 1.00 10.00 C ATOM 918 O HIS A 57 -4.128 11.968 -1.475 1.00 10.00 O ATOM 919 CB HIS A 57 -4.934 9.099 -2.402 1.00 10.00 C ATOM 920 CG HIS A 57 -6.015 8.279 -3.028 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.290 8.748 -3.255 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.979 7.022 -3.538 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.975 7.788 -3.883 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.223 6.715 -4.084 1.00 10.00 N ATOM 0 H HIS A 57 -3.788 9.129 -4.619 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.599 10.939 -3.285 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -4.018 8.511 -2.347 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -5.214 9.349 -1.379 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -5.122 6.364 -3.523 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -9.008 7.875 -4.187 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.498 5.846 -4.543 1.00 10.00 H new ATOM 932 N PHE A 58 -2.458 11.376 -2.844 1.00 10.00 N ATOM 933 CA PHE A 58 -1.505 12.260 -2.188 1.00 10.00 C ATOM 934 C PHE A 58 -0.797 13.104 -3.220 1.00 10.00 C ATOM 935 O PHE A 58 -0.597 12.679 -4.361 1.00 10.00 O ATOM 936 CB PHE A 58 -0.439 11.519 -1.359 1.00 10.00 C ATOM 937 CG PHE A 58 -0.509 10.023 -1.391 1.00 10.00 C ATOM 938 CD1 PHE A 58 -1.390 9.334 -0.574 1.00 10.00 C ATOM 939 CD2 PHE A 58 0.330 9.307 -2.222 1.00 10.00 C ATOM 940 CE1 PHE A 58 -1.436 7.956 -0.593 1.00 10.00 C ATOM 941 CE2 PHE A 58 0.292 7.933 -2.239 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.593 7.253 -1.427 1.00 10.00 C ATOM 0 H PHE A 58 -2.078 10.838 -3.623 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.090 12.871 -1.500 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.546 11.825 -1.712 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.521 11.845 -0.322 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -2.048 9.882 0.085 1.00 10.00 H new ATOM 0 HD2 PHE A 58 1.022 9.831 -2.864 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.131 7.429 0.044 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.957 7.384 -2.890 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.625 6.174 -1.445 1.00 10.00 H new ATOM 952 N THR A 59 -0.425 14.298 -2.812 1.00 10.00 N ATOM 953 CA THR A 59 0.289 15.210 -3.671 1.00 10.00 C ATOM 954 C THR A 59 1.664 14.656 -3.958 1.00 10.00 C ATOM 955 O THR A 59 2.210 13.915 -3.146 1.00 10.00 O ATOM 956 CB THR A 59 0.421 16.584 -2.999 1.00 10.00 C ATOM 957 OG1 THR A 59 0.577 16.423 -1.583 1.00 10.00 O ATOM 958 CG2 THR A 59 -0.799 17.430 -3.280 1.00 10.00 C ATOM 0 H THR A 59 -0.610 14.661 -1.877 1.00 10.00 H new ATOM 0 HA THR A 59 -0.265 15.325 -4.603 1.00 10.00 H new ATOM 0 HB THR A 59 1.299 17.085 -3.406 1.00 10.00 H new ATOM 0 HG1 THR A 59 0.662 17.303 -1.161 1.00 10.00 H new ATOM 0 HG21 THR A 59 -0.688 18.400 -2.796 1.00 10.00 H new ATOM 0 HG22 THR A 59 -0.904 17.571 -4.356 1.00 10.00 H new ATOM 0 HG23 THR A 59 -1.686 16.930 -2.891 1.00 10.00 H new ATOM 966 N PRO A 60 2.211 14.956 -5.138 1.00 10.00 N ATOM 967 CA PRO A 60 3.557 14.534 -5.529 1.00 10.00 C ATOM 968 C PRO A 60 4.551 14.812 -4.411 1.00 10.00 C ATOM 969 O PRO A 60 5.472 14.036 -4.157 1.00 10.00 O ATOM 970 CB PRO A 60 3.857 15.415 -6.753 1.00 10.00 C ATOM 971 CG PRO A 60 2.720 16.389 -6.833 1.00 10.00 C ATOM 972 CD PRO A 60 1.558 15.706 -6.205 1.00 10.00 C ATOM 0 HA PRO A 60 3.630 13.467 -5.739 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.810 15.932 -6.640 1.00 10.00 H new ATOM 0 HB3 PRO A 60 3.925 14.816 -7.661 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.960 17.314 -6.309 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.505 16.655 -7.868 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.824 16.414 -5.820 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.036 15.054 -6.906 1.00 10.00 H new ATOM 980 N ASP A 61 4.315 15.917 -3.726 1.00 10.00 N ATOM 981 CA ASP A 61 5.146 16.331 -2.603 1.00 10.00 C ATOM 982 C ASP A 61 5.091 15.277 -1.512 1.00 10.00 C ATOM 983 O ASP A 61 6.096 14.930 -0.913 1.00 10.00 O ATOM 984 CB ASP A 61 4.646 17.657 -2.026 1.00 10.00 C ATOM 985 CG ASP A 61 4.200 18.629 -3.099 1.00 10.00 C ATOM 986 OD1 ASP A 61 3.109 18.429 -3.676 1.00 10.00 O ATOM 987 OD2 ASP A 61 4.943 19.598 -3.376 1.00 10.00 O ATOM 0 H ASP A 61 3.544 16.553 -3.930 1.00 10.00 H new ATOM 0 HA ASP A 61 6.169 16.454 -2.959 1.00 10.00 H new ATOM 0 HB2 ASP A 61 3.815 17.463 -1.348 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.440 18.114 -1.435 1.00 10.00 H new ATOM 992 N SER A 62 3.894 14.764 -1.288 1.00 10.00 N ATOM 993 CA SER A 62 3.618 13.757 -0.273 1.00 10.00 C ATOM 994 C SER A 62 3.818 12.326 -0.771 1.00 10.00 C ATOM 995 O SER A 62 3.668 11.389 0.003 1.00 10.00 O ATOM 996 CB SER A 62 2.167 13.913 0.163 1.00 10.00 C ATOM 997 OG SER A 62 2.028 14.965 1.087 1.00 10.00 O ATOM 0 H SER A 62 3.067 15.041 -1.817 1.00 10.00 H new ATOM 0 HA SER A 62 4.320 13.915 0.545 1.00 10.00 H new ATOM 0 HB2 SER A 62 1.540 14.104 -0.708 1.00 10.00 H new ATOM 0 HB3 SER A 62 1.816 12.983 0.610 1.00 10.00 H new ATOM 0 HG SER A 62 2.895 15.150 1.505 1.00 10.00 H new ATOM 1003 N PHE A 63 4.210 12.191 -2.026 1.00 10.00 N ATOM 1004 CA PHE A 63 4.375 10.885 -2.695 1.00 10.00 C ATOM 1005 C PHE A 63 4.921 9.737 -1.822 1.00 10.00 C ATOM 1006 O PHE A 63 4.155 8.857 -1.436 1.00 10.00 O ATOM 1007 CB PHE A 63 5.229 11.001 -3.956 1.00 10.00 C ATOM 1008 CG PHE A 63 4.453 10.767 -5.222 1.00 10.00 C ATOM 1009 CD1 PHE A 63 3.475 9.784 -5.285 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.708 11.522 -6.353 1.00 10.00 C ATOM 1011 CE1 PHE A 63 2.770 9.563 -6.451 1.00 10.00 C ATOM 1012 CE2 PHE A 63 4.006 11.304 -7.523 1.00 10.00 C ATOM 1013 CZ PHE A 63 3.035 10.323 -7.572 1.00 10.00 C ATOM 0 H PHE A 63 4.428 12.986 -2.627 1.00 10.00 H new ATOM 0 HA PHE A 63 3.350 10.609 -2.943 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.679 11.993 -3.992 1.00 10.00 H new ATOM 0 HB3 PHE A 63 6.046 10.282 -3.901 1.00 10.00 H new ATOM 0 HD1 PHE A 63 3.263 9.185 -4.412 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.465 12.291 -6.321 1.00 10.00 H new ATOM 0 HE1 PHE A 63 2.011 8.795 -6.486 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.216 11.900 -8.399 1.00 10.00 H new ATOM 0 HZ PHE A 63 2.485 10.151 -8.485 1.00 10.00 H new ATOM 1023 N LYS A 64 6.233 9.720 -1.523 1.00 10.00 N ATOM 1024 CA LYS A 64 6.813 8.604 -0.757 1.00 10.00 C ATOM 1025 C LYS A 64 8.272 8.851 -0.368 1.00 10.00 C ATOM 1026 O LYS A 64 8.607 9.916 0.152 1.00 10.00 O ATOM 1027 CB LYS A 64 6.712 7.326 -1.596 1.00 10.00 C ATOM 1028 CG LYS A 64 7.201 7.509 -3.026 1.00 10.00 C ATOM 1029 CD LYS A 64 7.018 6.254 -3.854 1.00 10.00 C ATOM 1030 CE LYS A 64 7.069 6.576 -5.336 1.00 10.00 C ATOM 1031 NZ LYS A 64 7.340 5.372 -6.161 1.00 10.00 N ATOM 0 H LYS A 64 6.896 10.447 -1.792 1.00 10.00 H new ATOM 0 HA LYS A 64 6.250 8.507 0.171 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.294 6.538 -1.118 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.675 6.991 -1.613 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.659 8.332 -3.492 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.255 7.786 -3.016 1.00 10.00 H new ATOM 0 HD2 LYS A 64 7.797 5.533 -3.607 1.00 10.00 H new ATOM 0 HD3 LYS A 64 6.063 5.788 -3.611 1.00 10.00 H new ATOM 0 HE2 LYS A 64 6.122 7.019 -5.643 1.00 10.00 H new ATOM 0 HE3 LYS A 64 7.843 7.321 -5.518 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 7.366 5.638 -7.166 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 8.256 4.963 -5.887 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 6.588 4.670 -6.008 1.00 10.00 H new ATOM 1045 N ARG A 65 9.127 7.855 -0.643 1.00 10.00 N ATOM 1046 CA ARG A 65 10.556 7.905 -0.323 1.00 10.00 C ATOM 1047 C ARG A 65 11.273 9.028 -1.058 1.00 10.00 C ATOM 1048 O ARG A 65 12.413 9.348 -0.738 1.00 10.00 O ATOM 1049 CB ARG A 65 11.236 6.554 -0.609 1.00 10.00 C ATOM 1050 CG ARG A 65 10.732 5.833 -1.853 1.00 10.00 C ATOM 1051 CD ARG A 65 10.905 4.325 -1.726 1.00 10.00 C ATOM 1052 NE ARG A 65 12.265 3.889 -2.064 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.738 2.659 -1.848 1.00 10.00 C ATOM 1054 NH1 ARG A 65 11.998 1.759 -1.211 1.00 10.00 N ATOM 1055 NH2 ARG A 65 13.965 2.339 -2.256 1.00 10.00 N ATOM 0 H ARG A 65 8.841 6.987 -1.097 1.00 10.00 H new ATOM 0 HA ARG A 65 10.631 8.114 0.744 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.309 6.718 -0.711 1.00 10.00 H new ATOM 0 HB3 ARG A 65 11.094 5.903 0.253 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.680 6.069 -2.011 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.274 6.191 -2.728 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.671 4.019 -0.706 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.192 3.824 -2.380 1.00 10.00 H new ATOM 0 HE ARG A 65 12.891 4.571 -2.493 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.064 2.006 -0.884 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.364 0.821 -1.048 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.541 3.033 -2.732 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.328 1.400 -2.092 1.00 10.00 H new ATOM 1069 N GLU A 66 10.598 9.642 -2.026 1.00 10.00 N ATOM 1070 CA GLU A 66 11.174 10.763 -2.755 1.00 10.00 C ATOM 1071 C GLU A 66 11.102 12.010 -1.882 1.00 10.00 C ATOM 1072 O GLU A 66 11.412 13.116 -2.326 1.00 10.00 O ATOM 1073 CB GLU A 66 10.465 11.010 -4.105 1.00 10.00 C ATOM 1074 CG GLU A 66 10.924 10.083 -5.210 1.00 10.00 C ATOM 1075 CD GLU A 66 10.116 8.810 -5.272 1.00 10.00 C ATOM 1076 OE1 GLU A 66 10.419 7.870 -4.511 1.00 10.00 O ATOM 1077 OE2 GLU A 66 9.179 8.738 -6.091 1.00 10.00 O ATOM 0 H GLU A 66 9.657 9.382 -2.321 1.00 10.00 H new ATOM 0 HA GLU A 66 12.212 10.523 -2.985 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.390 10.893 -3.968 1.00 10.00 H new ATOM 0 HB3 GLU A 66 10.637 12.041 -4.413 1.00 10.00 H new ATOM 0 HG2 GLU A 66 10.853 10.601 -6.167 1.00 10.00 H new ATOM 0 HG3 GLU A 66 11.975 9.835 -5.059 1.00 10.00 H new ATOM 1084 N SER A 67 10.651 11.817 -0.640 1.00 10.00 N ATOM 1085 CA SER A 67 10.524 12.899 0.326 1.00 10.00 C ATOM 1086 C SER A 67 11.898 13.405 0.807 1.00 10.00 C ATOM 1087 O SER A 67 12.691 13.916 0.016 1.00 10.00 O ATOM 1088 CB SER A 67 9.654 12.409 1.498 1.00 10.00 C ATOM 1089 OG SER A 67 9.635 13.326 2.582 1.00 10.00 O ATOM 0 H SER A 67 10.365 10.906 -0.281 1.00 10.00 H new ATOM 0 HA SER A 67 10.042 13.752 -0.151 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.635 12.246 1.147 1.00 10.00 H new ATOM 0 HB3 SER A 67 10.029 11.447 1.847 1.00 10.00 H new ATOM 0 HG SER A 67 9.561 12.833 3.426 1.00 10.00 H new ATOM 1095 N ASN A 68 12.177 13.255 2.095 1.00 10.00 N ATOM 1096 CA ASN A 68 13.431 13.722 2.668 1.00 10.00 C ATOM 1097 C ASN A 68 14.467 12.616 2.741 1.00 10.00 C ATOM 1098 O ASN A 68 15.445 12.617 1.995 1.00 10.00 O ATOM 1099 CB ASN A 68 13.195 14.284 4.071 1.00 10.00 C ATOM 1100 CG ASN A 68 13.790 15.668 4.259 1.00 10.00 C ATOM 1101 OD1 ASN A 68 13.239 16.492 4.988 1.00 10.00 O ATOM 1102 ND2 ASN A 68 14.914 15.941 3.610 1.00 10.00 N ATOM 0 H ASN A 68 11.548 12.812 2.765 1.00 10.00 H new ATOM 0 HA ASN A 68 13.813 14.505 2.012 1.00 10.00 H new ATOM 0 HB2 ASN A 68 12.123 14.325 4.265 1.00 10.00 H new ATOM 0 HB3 ASN A 68 13.627 13.605 4.807 1.00 10.00 H new ATOM 0 HD21 ASN A 68 15.349 16.858 3.707 1.00 10.00 H new ATOM 0 HD22 ASN A 68 15.343 15.233 3.014 1.00 10.00 H new ATOM 1109 N ASN A 69 14.256 11.672 3.646 1.00 10.00 N ATOM 1110 CA ASN A 69 15.210 10.587 3.821 1.00 10.00 C ATOM 1111 C ASN A 69 14.741 9.279 3.178 1.00 10.00 C ATOM 1112 O ASN A 69 15.395 8.782 2.261 1.00 10.00 O ATOM 1113 CB ASN A 69 15.550 10.406 5.318 1.00 10.00 C ATOM 1114 CG ASN A 69 14.568 9.533 6.083 1.00 10.00 C ATOM 1115 OD1 ASN A 69 13.463 9.966 6.414 1.00 10.00 O ATOM 1116 ND2 ASN A 69 14.965 8.301 6.368 1.00 10.00 N ATOM 0 H ASN A 69 13.445 11.634 4.263 1.00 10.00 H new ATOM 0 HA ASN A 69 16.123 10.865 3.294 1.00 10.00 H new ATOM 0 HB2 ASN A 69 16.546 9.971 5.402 1.00 10.00 H new ATOM 0 HB3 ASN A 69 15.590 11.387 5.791 1.00 10.00 H new ATOM 0 HD21 ASN A 69 14.347 7.672 6.880 1.00 10.00 H new ATOM 0 HD22 ASN A 69 15.889 7.982 6.075 1.00 10.00 H new ATOM 1123 N LYS A 70 13.618 8.721 3.632 1.00 10.00 N ATOM 1124 CA LYS A 70 13.144 7.455 3.087 1.00 10.00 C ATOM 1125 C LYS A 70 11.621 7.338 3.050 1.00 10.00 C ATOM 1126 O LYS A 70 11.099 6.422 2.421 1.00 10.00 O ATOM 1127 CB LYS A 70 13.720 6.292 3.903 1.00 10.00 C ATOM 1128 CG LYS A 70 15.136 5.893 3.498 1.00 10.00 C ATOM 1129 CD LYS A 70 15.170 5.209 2.137 1.00 10.00 C ATOM 1130 CE LYS A 70 16.597 4.992 1.648 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.215 6.251 1.147 1.00 10.00 N ATOM 0 H LYS A 70 13.030 9.120 4.364 1.00 10.00 H new ATOM 0 HA LYS A 70 13.490 7.416 2.054 1.00 10.00 H new ATOM 0 HB2 LYS A 70 13.718 6.566 4.958 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.065 5.427 3.797 1.00 10.00 H new ATOM 0 HG2 LYS A 70 15.769 6.780 3.474 1.00 10.00 H new ATOM 0 HG3 LYS A 70 15.553 5.224 4.250 1.00 10.00 H new ATOM 0 HD2 LYS A 70 14.657 4.249 2.200 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.626 5.814 1.412 1.00 10.00 H new ATOM 0 HE2 LYS A 70 17.201 4.591 2.461 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.598 4.247 0.853 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 17.216 6.247 0.107 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 16.668 7.067 1.490 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 18.193 6.319 1.494 1.00 10.00 H new ATOM 1145 N LEU A 71 10.895 8.237 3.706 1.00 10.00 N ATOM 1146 CA LEU A 71 9.439 8.126 3.701 1.00 10.00 C ATOM 1147 C LEU A 71 8.743 9.477 3.583 1.00 10.00 C ATOM 1148 O LEU A 71 9.393 10.514 3.574 1.00 10.00 O ATOM 1149 CB LEU A 71 8.952 7.384 4.944 1.00 10.00 C ATOM 1150 CG LEU A 71 7.961 6.244 4.675 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.731 6.398 5.549 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.569 6.190 3.202 1.00 10.00 C ATOM 0 H LEU A 71 11.273 9.025 4.231 1.00 10.00 H new ATOM 0 HA LEU A 71 9.173 7.554 2.812 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.817 6.977 5.467 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.482 8.102 5.616 1.00 10.00 H new ATOM 0 HG LEU A 71 8.452 5.303 4.924 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.037 5.582 5.347 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.025 6.373 6.598 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.246 7.349 5.330 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.866 5.372 3.042 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.101 7.132 2.915 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.459 6.027 2.594 1.00 10.00 H new ATOM 1164 N LEU A 72 7.405 9.433 3.521 1.00 10.00 N ATOM 1165 CA LEU A 72 6.575 10.627 3.348 1.00 10.00 C ATOM 1166 C LEU A 72 6.656 11.605 4.504 1.00 10.00 C ATOM 1167 O LEU A 72 7.360 11.402 5.490 1.00 10.00 O ATOM 1168 CB LEU A 72 5.096 10.268 3.179 1.00 10.00 C ATOM 1169 CG LEU A 72 4.775 8.835 2.758 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.252 8.036 3.936 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.747 8.827 1.643 1.00 10.00 C ATOM 0 H LEU A 72 6.870 8.567 3.590 1.00 10.00 H new ATOM 0 HA LEU A 72 6.977 11.098 2.451 1.00 10.00 H new ATOM 0 HB2 LEU A 72 4.589 10.465 4.124 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.666 10.943 2.439 1.00 10.00 H new ATOM 0 HG LEU A 72 5.696 8.375 2.399 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.029 7.018 3.615 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.006 8.012 4.723 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.344 8.503 4.318 1.00 10.00 H new ATOM 0 HD21 LEU A 72 3.530 7.798 1.355 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.832 9.308 1.988 1.00 10.00 H new ATOM 0 HD23 LEU A 72 4.139 9.369 0.783 1.00 10.00 H new ATOM 1183 N LYS A 73 5.878 12.667 4.349 1.00 10.00 N ATOM 1184 CA LYS A 73 5.776 13.723 5.328 1.00 10.00 C ATOM 1185 C LYS A 73 4.845 13.277 6.444 1.00 10.00 C ATOM 1186 O LYS A 73 3.695 12.928 6.193 1.00 10.00 O ATOM 1187 CB LYS A 73 5.215 15.012 4.694 1.00 10.00 C ATOM 1188 CG LYS A 73 5.918 15.503 3.426 1.00 10.00 C ATOM 1189 CD LYS A 73 5.592 14.664 2.211 1.00 10.00 C ATOM 1190 CE LYS A 73 6.792 13.853 1.770 1.00 10.00 C ATOM 1191 NZ LYS A 73 6.461 12.914 0.667 1.00 10.00 N ATOM 0 H LYS A 73 5.294 12.815 3.526 1.00 10.00 H new ATOM 0 HA LYS A 73 6.772 13.931 5.719 1.00 10.00 H new ATOM 0 HB2 LYS A 73 4.163 14.849 4.461 1.00 10.00 H new ATOM 0 HB3 LYS A 73 5.257 15.807 5.439 1.00 10.00 H new ATOM 0 HG2 LYS A 73 5.631 16.537 3.235 1.00 10.00 H new ATOM 0 HG3 LYS A 73 6.996 15.496 3.588 1.00 10.00 H new ATOM 0 HD2 LYS A 73 4.762 13.996 2.439 1.00 10.00 H new ATOM 0 HD3 LYS A 73 5.267 15.310 1.396 1.00 10.00 H new ATOM 0 HE2 LYS A 73 7.584 14.527 1.445 1.00 10.00 H new ATOM 0 HE3 LYS A 73 7.180 13.291 2.619 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 7.283 12.310 0.467 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 5.655 12.320 0.947 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 6.213 13.454 -0.186 1.00 10.00 H new ATOM 1205 N GLU A 74 5.364 13.244 7.657 1.00 10.00 N ATOM 1206 CA GLU A 74 4.580 12.869 8.836 1.00 10.00 C ATOM 1207 C GLU A 74 3.332 13.741 8.982 1.00 10.00 C ATOM 1208 O GLU A 74 2.347 13.350 9.599 1.00 10.00 O ATOM 1209 CB GLU A 74 5.448 12.993 10.086 1.00 10.00 C ATOM 1210 CG GLU A 74 4.672 12.836 11.379 1.00 10.00 C ATOM 1211 CD GLU A 74 5.564 12.596 12.575 1.00 10.00 C ATOM 1212 OE1 GLU A 74 5.884 11.420 12.862 1.00 10.00 O ATOM 1213 OE2 GLU A 74 5.948 13.584 13.234 1.00 10.00 O ATOM 0 H GLU A 74 6.337 13.474 7.861 1.00 10.00 H new ATOM 0 HA GLU A 74 4.253 11.837 8.712 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.234 12.239 10.049 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.940 13.966 10.082 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.076 13.733 11.550 1.00 10.00 H new ATOM 0 HG3 GLU A 74 3.975 12.004 11.280 1.00 10.00 H new ATOM 1220 N ASN A 75 3.398 14.935 8.440 1.00 10.00 N ATOM 1221 CA ASN A 75 2.274 15.862 8.498 1.00 10.00 C ATOM 1222 C ASN A 75 1.472 15.893 7.203 1.00 10.00 C ATOM 1223 O ASN A 75 0.722 16.837 6.950 1.00 10.00 O ATOM 1224 CB ASN A 75 2.774 17.254 8.806 1.00 10.00 C ATOM 1225 CG ASN A 75 2.550 17.627 10.253 1.00 10.00 C ATOM 1226 OD1 ASN A 75 2.494 16.624 11.116 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 2.423 18.803 10.590 1.00 10.00 N flip ATOM 0 H ASN A 75 4.218 15.295 7.951 1.00 10.00 H new ATOM 0 HA ASN A 75 1.611 15.510 9.288 1.00 10.00 H new ATOM 0 HB2 ASN A 75 3.838 17.317 8.576 1.00 10.00 H new ATOM 0 HB3 ASN A 75 2.266 17.973 8.163 1.00 10.00 H new ATOM 0 HD21 ASN A 75 2.473 19.543 9.889 1.00 10.00 H new ATOM 0 HD22 ASN A 75 2.267 19.039 11.570 1.00 10.00 H new ATOM 1234 N ALA A 76 1.637 14.876 6.386 1.00 10.00 N ATOM 1235 CA ALA A 76 0.920 14.795 5.117 1.00 10.00 C ATOM 1236 C ALA A 76 0.073 13.541 5.027 1.00 10.00 C ATOM 1237 O ALA A 76 0.571 12.423 5.163 1.00 10.00 O ATOM 1238 CB ALA A 76 1.886 14.840 3.951 1.00 10.00 C ATOM 0 H ALA A 76 2.260 14.090 6.571 1.00 10.00 H new ATOM 0 HA ALA A 76 0.257 15.659 5.070 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.330 14.778 3.015 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.447 15.774 3.979 1.00 10.00 H new ATOM 0 HB3 ALA A 76 2.577 14.000 4.018 1.00 10.00 H new ATOM 1244 N VAL A 77 -1.197 13.736 4.729 1.00 10.00 N ATOM 1245 CA VAL A 77 -2.138 12.640 4.621 1.00 10.00 C ATOM 1246 C VAL A 77 -3.046 12.833 3.400 1.00 10.00 C ATOM 1247 O VAL A 77 -3.440 13.954 3.089 1.00 10.00 O ATOM 1248 CB VAL A 77 -2.969 12.499 5.929 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -3.339 13.857 6.499 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -4.224 11.661 5.721 1.00 10.00 C ATOM 0 H VAL A 77 -1.604 14.655 4.556 1.00 10.00 H new ATOM 0 HA VAL A 77 -1.581 11.714 4.482 1.00 10.00 H new ATOM 0 HB VAL A 77 -2.333 11.981 6.646 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -3.919 13.723 7.412 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -2.431 14.416 6.725 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -3.933 14.408 5.770 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -4.773 11.589 6.660 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -4.855 12.131 4.967 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -3.943 10.662 5.387 1.00 10.00 H new ATOM 1260 N PRO A 78 -3.327 11.738 2.667 1.00 10.00 N ATOM 1261 CA PRO A 78 -4.179 11.740 1.469 1.00 10.00 C ATOM 1262 C PRO A 78 -5.526 12.423 1.687 1.00 10.00 C ATOM 1263 O PRO A 78 -6.394 11.909 2.392 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.395 10.244 1.171 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.872 9.518 2.356 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.817 10.399 2.943 1.00 10.00 C ATOM 0 HA PRO A 78 -3.709 12.297 0.658 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.451 10.025 1.012 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.868 9.945 0.265 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.666 9.325 3.078 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.459 8.551 2.070 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -2.693 10.225 4.012 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.845 10.232 2.478 1.00 10.00 H new ATOM 1274 N THR A 79 -5.691 13.583 1.074 1.00 10.00 N ATOM 1275 CA THR A 79 -6.923 14.346 1.194 1.00 10.00 C ATOM 1276 C THR A 79 -7.718 14.285 -0.103 1.00 10.00 C ATOM 1277 O THR A 79 -8.910 14.581 -0.146 1.00 10.00 O ATOM 1278 CB THR A 79 -6.610 15.813 1.515 1.00 10.00 C ATOM 1279 OG1 THR A 79 -5.955 16.428 0.397 1.00 10.00 O ATOM 1280 CG2 THR A 79 -5.709 15.921 2.731 1.00 10.00 C ATOM 0 H THR A 79 -4.982 14.020 0.484 1.00 10.00 H new ATOM 0 HA THR A 79 -7.512 13.910 2.001 1.00 10.00 H new ATOM 0 HB THR A 79 -7.552 16.321 1.723 1.00 10.00 H new ATOM 0 HG1 THR A 79 -5.759 17.365 0.607 1.00 10.00 H new ATOM 0 HG21 THR A 79 -5.502 16.971 2.938 1.00 10.00 H new ATOM 0 HG22 THR A 79 -6.204 15.472 3.592 1.00 10.00 H new ATOM 0 HG23 THR A 79 -4.773 15.398 2.538 1.00 10.00 H new ATOM 1288 N ILE A 80 -7.025 13.872 -1.152 1.00 10.00 N ATOM 1289 CA ILE A 80 -7.584 13.770 -2.497 1.00 10.00 C ATOM 1290 C ILE A 80 -8.480 12.533 -2.651 1.00 10.00 C ATOM 1291 O ILE A 80 -8.890 12.194 -3.760 1.00 10.00 O ATOM 1292 CB ILE A 80 -6.462 13.724 -3.558 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -5.211 14.487 -3.071 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.958 14.276 -4.891 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -5.087 15.907 -3.584 1.00 10.00 C ATOM 0 H ILE A 80 -6.045 13.594 -1.096 1.00 10.00 H new ATOM 0 HA ILE A 80 -8.194 14.660 -2.653 1.00 10.00 H new ATOM 0 HB ILE A 80 -6.178 12.682 -3.709 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -5.219 14.510 -1.981 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -4.324 13.929 -3.371 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -6.153 14.235 -5.624 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.799 13.678 -5.242 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -7.277 15.310 -4.761 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -4.178 16.359 -3.187 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -5.042 15.898 -4.673 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.951 16.487 -3.261 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.738 11.840 -1.538 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.572 10.633 -1.535 1.00 10.00 C ATOM 1309 C PHE A 81 -10.825 10.777 -2.397 1.00 10.00 C ATOM 1310 O PHE A 81 -11.156 9.865 -3.153 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.967 10.246 -0.104 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.941 9.400 0.617 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.792 8.947 -0.026 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -9.130 9.050 1.943 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.867 8.169 0.638 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -8.199 8.272 2.610 1.00 10.00 C ATOM 1317 CZ PHE A 81 -7.069 7.833 1.954 1.00 10.00 C ATOM 0 H PHE A 81 -8.378 12.097 -0.619 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.965 9.840 -1.972 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -10.140 11.155 0.471 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.912 9.703 -0.134 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.623 9.209 -1.060 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -10.014 9.388 2.463 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -5.983 7.824 0.123 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.358 8.009 3.645 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.343 7.226 2.474 1.00 10.00 H new ATOM 1327 N LEU A 82 -11.511 11.913 -2.290 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.719 12.156 -3.076 1.00 10.00 C ATOM 1329 C LEU A 82 -13.080 13.644 -3.065 1.00 10.00 C ATOM 1330 O LEU A 82 -12.589 14.406 -2.240 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.892 11.330 -2.536 1.00 10.00 C ATOM 1332 CG LEU A 82 -14.510 10.289 -3.498 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.952 10.646 -3.810 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.709 10.153 -4.793 1.00 10.00 C ATOM 0 H LEU A 82 -11.252 12.679 -1.668 1.00 10.00 H new ATOM 0 HA LEU A 82 -12.519 11.851 -4.103 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.556 10.808 -1.640 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.679 12.018 -2.228 1.00 10.00 H new ATOM 0 HG LEU A 82 -14.479 9.324 -2.991 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -16.372 9.903 -4.488 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -16.531 10.663 -2.886 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.990 11.629 -4.280 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -14.181 9.411 -5.437 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.682 11.114 -5.307 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.692 9.837 -4.560 1.00 10.00 H new