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 59 THR OG1 : rot 180:sc= 0.0813 USER MOD Set 1.2: A 62 SER OG : rot 150:sc= -2.03! USER MOD Set 2.1: A 33 CYS SG : rot 36:sc= -3.91! USER MOD Set 2.2: A 49 LYS NZ :NH3+ 144:sc= 1.28 (180deg=0.923) USER MOD Set 3.1: A 5 CYS SG : rot 110:sc= 1.76 USER MOD Set 3.2: A 10 CYS SG : rot -170:sc= -0.455! USER MOD Set 3.3: A 12 ASN : amide:sc= 1.09 K(o=-5.2,f=-7.7) USER MOD Set 3.4: A 54 CYS SG : rot -96:sc= -4.49! USER MOD Set 3.5: A 57 HIS : no HD1:sc= -3.1! C(o=-5.2!,f=-17!) USER MOD Single : A 6 SER OG : rot -104:sc= -1.02 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+ -169:sc= 1.2 (180deg=0.938) USER MOD Single : A 18 LYS NZ :NH3+ 174:sc= 0.655 (180deg=0.457) USER MOD Single : A 21 SER OG : rot 180:sc= 0.00151 USER MOD Single : A 23 HIS :FLIP no HE2:sc= -7.59! C(o=-9.4!,f=-7.6!) USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= -0.0276 (180deg=-0.294) USER MOD Single : A 28 THR OG1 : rot -160:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0441 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= -0.894 K(o=-0.89,f=-2.8!) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.191) USER MOD Single : A 48 THR OG1 : rot -150:sc= -0.0184 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -140:sc= -0.334 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 55 SER OG : rot 74:sc= 1.89 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -145:sc= -1.3 USER MOD Single : A 68 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.58) USER MOD Single : A 69 ASN : amide:sc= -2.93! C(o=-2.9!,f=-3.4!) USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= -0.0353 (180deg=-0.286) USER MOD Single : A 73 LYS NZ :NH3+ -160:sc= -6.01! (180deg=-8.23!) USER MOD Single : A 75 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.042) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N CYS A 5 -8.497 1.453 -3.930 1.00 10.00 N ATOM 65 CA CYS A 5 -7.642 2.083 -2.933 1.00 10.00 C ATOM 66 C CYS A 5 -8.384 2.204 -1.601 1.00 10.00 C ATOM 67 O CYS A 5 -9.569 1.886 -1.516 1.00 10.00 O ATOM 68 CB CYS A 5 -7.220 3.468 -3.431 1.00 10.00 C ATOM 69 SG CYS A 5 -7.452 3.693 -5.206 1.00 10.00 S ATOM 0 HA CYS A 5 -6.755 1.469 -2.778 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.792 4.227 -2.898 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -6.170 3.630 -3.186 1.00 10.00 H new ATOM 0 HG CYS A 5 -8.425 4.529 -5.414 1.00 10.00 H new ATOM 74 N SER A 6 -7.688 2.676 -0.572 1.00 10.00 N ATOM 75 CA SER A 6 -8.275 2.826 0.760 1.00 10.00 C ATOM 76 C SER A 6 -9.271 3.987 0.839 1.00 10.00 C ATOM 77 O SER A 6 -9.852 4.241 1.890 1.00 10.00 O ATOM 78 CB SER A 6 -7.165 3.013 1.788 1.00 10.00 C ATOM 79 OG SER A 6 -6.167 2.020 1.629 1.00 10.00 O ATOM 0 H SER A 6 -6.711 2.963 -0.633 1.00 10.00 H new ATOM 0 HA SER A 6 -8.835 1.916 0.976 1.00 10.00 H new ATOM 0 HB2 SER A 6 -6.722 4.003 1.677 1.00 10.00 H new ATOM 0 HB3 SER A 6 -7.581 2.961 2.794 1.00 10.00 H new ATOM 0 HG SER A 6 -6.260 1.347 2.335 1.00 10.00 H new ATOM 85 N ALA A 7 -9.462 4.698 -0.267 1.00 10.00 N ATOM 86 CA ALA A 7 -10.416 5.799 -0.292 1.00 10.00 C ATOM 87 C ALA A 7 -11.828 5.228 -0.327 1.00 10.00 C ATOM 88 O ALA A 7 -12.001 4.022 -0.451 1.00 10.00 O ATOM 89 CB ALA A 7 -10.168 6.700 -1.490 1.00 10.00 C ATOM 0 H ALA A 7 -8.975 4.534 -1.148 1.00 10.00 H new ATOM 0 HA ALA A 7 -10.293 6.406 0.605 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.892 7.515 -1.488 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -9.160 7.110 -1.434 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -10.274 6.122 -2.408 1.00 10.00 H new ATOM 95 N TYR A 8 -12.840 6.074 -0.275 1.00 10.00 N ATOM 96 CA TYR A 8 -14.202 5.575 -0.270 1.00 10.00 C ATOM 97 C TYR A 8 -14.876 5.755 -1.633 1.00 10.00 C ATOM 98 O TYR A 8 -15.591 6.716 -1.889 1.00 10.00 O ATOM 99 CB TYR A 8 -15.021 6.228 0.852 1.00 10.00 C ATOM 100 CG TYR A 8 -14.903 7.735 0.938 1.00 10.00 C ATOM 101 CD1 TYR A 8 -15.617 8.550 0.076 1.00 10.00 C ATOM 102 CD2 TYR A 8 -14.089 8.339 1.885 1.00 10.00 C ATOM 103 CE1 TYR A 8 -15.529 9.916 0.146 1.00 10.00 C ATOM 104 CE2 TYR A 8 -13.990 9.714 1.962 1.00 10.00 C ATOM 105 CZ TYR A 8 -14.716 10.498 1.086 1.00 10.00 C ATOM 106 OH TYR A 8 -14.633 11.867 1.154 1.00 10.00 O ATOM 0 H TYR A 8 -12.749 7.089 -0.236 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.160 4.504 -0.074 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -16.070 5.968 0.713 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.710 5.800 1.805 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -16.257 8.099 -0.668 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -13.525 7.725 2.572 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -16.097 10.532 -0.536 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -13.350 10.173 2.701 1.00 10.00 H new ATOM 0 HH TYR A 8 -14.017 12.122 1.872 1.00 10.00 H new ATOM 116 N GLY A 9 -14.615 4.825 -2.520 1.00 10.00 N ATOM 117 CA GLY A 9 -15.218 4.872 -3.835 1.00 10.00 C ATOM 118 C GLY A 9 -14.206 4.894 -4.969 1.00 10.00 C ATOM 119 O GLY A 9 -14.572 4.757 -6.137 1.00 10.00 O ATOM 0 H GLY A 9 -13.995 4.031 -2.360 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -15.870 4.007 -3.958 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.848 5.758 -3.905 1.00 10.00 H new ATOM 123 N CYS A 10 -12.932 5.039 -4.636 1.00 10.00 N ATOM 124 CA CYS A 10 -11.887 5.094 -5.648 1.00 10.00 C ATOM 125 C CYS A 10 -11.448 3.708 -6.110 1.00 10.00 C ATOM 126 O CYS A 10 -10.388 3.221 -5.720 1.00 10.00 O ATOM 127 CB CYS A 10 -10.669 5.872 -5.152 1.00 10.00 C ATOM 128 SG CYS A 10 -9.408 6.101 -6.422 1.00 10.00 S ATOM 0 H CYS A 10 -12.597 5.121 -3.676 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.324 5.614 -6.501 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.992 6.848 -4.789 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.230 5.346 -4.304 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.329 6.583 -5.880 1.00 10.00 H new ATOM 133 N LYS A 11 -12.278 3.043 -6.896 1.00 10.00 N ATOM 134 CA LYS A 11 -11.911 1.735 -7.422 1.00 10.00 C ATOM 135 C LYS A 11 -11.203 1.894 -8.767 1.00 10.00 C ATOM 136 O LYS A 11 -11.499 1.202 -9.742 1.00 10.00 O ATOM 137 CB LYS A 11 -13.126 0.812 -7.526 1.00 10.00 C ATOM 138 CG LYS A 11 -14.312 1.401 -8.273 1.00 10.00 C ATOM 139 CD LYS A 11 -15.617 0.725 -7.864 1.00 10.00 C ATOM 140 CE LYS A 11 -15.513 -0.798 -7.913 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.765 -1.462 -7.458 1.00 10.00 N ATOM 0 H LYS A 11 -13.198 3.379 -7.182 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.219 1.262 -6.725 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -12.823 -0.110 -8.023 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.446 0.541 -6.520 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -14.376 2.471 -8.073 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.162 1.286 -9.346 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -15.886 1.038 -6.855 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -16.419 1.055 -8.525 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -15.287 -1.112 -8.932 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -14.683 -1.124 -7.287 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -16.648 -2.494 -7.508 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -16.969 -1.184 -6.477 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -17.554 -1.173 -8.071 1.00 10.00 H new ATOM 155 N ASN A 12 -10.238 2.807 -8.779 1.00 10.00 N ATOM 156 CA ASN A 12 -9.439 3.124 -9.966 1.00 10.00 C ATOM 157 C ASN A 12 -8.312 2.125 -10.140 1.00 10.00 C ATOM 158 O ASN A 12 -7.145 2.504 -10.268 1.00 10.00 O ATOM 159 CB ASN A 12 -8.839 4.512 -9.849 1.00 10.00 C ATOM 160 CG ASN A 12 -9.878 5.624 -9.917 1.00 10.00 C ATOM 161 OD1 ASN A 12 -11.034 5.390 -10.276 1.00 10.00 O ATOM 162 ND2 ASN A 12 -9.478 6.846 -9.593 1.00 10.00 N ATOM 0 H ASN A 12 -9.983 3.356 -7.958 1.00 10.00 H new ATOM 0 HA ASN A 12 -10.103 3.079 -10.829 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -8.297 4.588 -8.907 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -8.111 4.654 -10.648 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -10.134 7.626 -9.637 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -8.514 7.006 -9.300 1.00 10.00 H new ATOM 169 N ARG A 13 -8.688 0.861 -10.063 1.00 10.00 N ATOM 170 CA ARG A 13 -7.784 -0.283 -10.223 1.00 10.00 C ATOM 171 C ARG A 13 -6.661 0.029 -11.222 1.00 10.00 C ATOM 172 O ARG A 13 -6.939 0.553 -12.302 1.00 10.00 O ATOM 173 CB ARG A 13 -8.613 -1.506 -10.675 1.00 10.00 C ATOM 174 CG ARG A 13 -8.011 -2.348 -11.803 1.00 10.00 C ATOM 175 CD ARG A 13 -6.759 -3.090 -11.357 1.00 10.00 C ATOM 176 NE ARG A 13 -6.721 -4.467 -11.851 1.00 10.00 N ATOM 177 CZ ARG A 13 -5.604 -5.118 -12.187 1.00 10.00 C ATOM 178 NH1 ARG A 13 -4.421 -4.520 -12.098 1.00 10.00 N ATOM 179 NH2 ARG A 13 -5.677 -6.368 -12.612 1.00 10.00 N ATOM 0 H ARG A 13 -9.654 0.586 -9.883 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.303 -0.502 -9.270 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -8.770 -2.152 -9.811 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -9.595 -1.156 -10.994 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.752 -3.066 -12.154 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -7.768 -1.702 -12.647 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -5.878 -2.555 -11.711 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -6.712 -3.096 -10.268 1.00 10.00 H new ATOM 0 HE ARG A 13 -7.607 -4.963 -11.945 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -4.360 -3.556 -11.771 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -3.573 -5.025 -12.357 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -6.583 -6.831 -12.682 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -4.827 -6.869 -12.870 1.00 10.00 H new ATOM 193 N TYR A 14 -5.408 -0.286 -10.829 1.00 10.00 N ATOM 194 CA TYR A 14 -4.207 -0.049 -11.653 1.00 10.00 C ATOM 195 C TYR A 14 -4.513 -0.062 -13.141 1.00 10.00 C ATOM 196 O TYR A 14 -4.787 -1.110 -13.732 1.00 10.00 O ATOM 197 CB TYR A 14 -3.138 -1.108 -11.362 1.00 10.00 C ATOM 198 CG TYR A 14 -1.734 -0.558 -11.194 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.154 0.264 -12.159 1.00 10.00 C ATOM 200 CD2 TYR A 14 -0.988 -0.869 -10.064 1.00 10.00 C ATOM 201 CE1 TYR A 14 0.126 0.758 -11.994 1.00 10.00 C ATOM 202 CE2 TYR A 14 0.290 -0.375 -9.895 1.00 10.00 C ATOM 203 CZ TYR A 14 0.843 0.438 -10.860 1.00 10.00 C ATOM 204 OH TYR A 14 2.113 0.934 -10.690 1.00 10.00 O ATOM 0 H TYR A 14 -5.202 -0.714 -9.926 1.00 10.00 H new ATOM 0 HA TYR A 14 -3.841 0.942 -11.387 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -3.415 -1.645 -10.455 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.135 -1.835 -12.174 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.713 0.518 -13.048 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -1.415 -1.508 -9.305 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.564 1.393 -12.751 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.855 -0.625 -9.009 1.00 10.00 H new ATOM 0 HH TYR A 14 2.478 0.614 -9.839 1.00 10.00 H new ATOM 214 N ASP A 15 -4.475 1.114 -13.731 1.00 10.00 N ATOM 215 CA ASP A 15 -4.729 1.277 -15.143 1.00 10.00 C ATOM 216 C ASP A 15 -3.557 2.011 -15.753 1.00 10.00 C ATOM 217 O ASP A 15 -3.353 3.195 -15.503 1.00 10.00 O ATOM 218 CB ASP A 15 -6.044 2.026 -15.360 1.00 10.00 C ATOM 219 CG ASP A 15 -6.189 2.599 -16.751 1.00 10.00 C ATOM 220 OD1 ASP A 15 -5.845 1.901 -17.727 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.664 3.746 -16.866 1.00 10.00 O ATOM 0 H ASP A 15 -4.266 1.985 -13.242 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.832 0.307 -15.629 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.875 1.348 -15.166 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -6.116 2.835 -14.633 1.00 10.00 H new ATOM 226 N LYS A 16 -2.777 1.275 -16.523 1.00 10.00 N ATOM 227 CA LYS A 16 -1.580 1.798 -17.166 1.00 10.00 C ATOM 228 C LYS A 16 -1.877 2.998 -18.061 1.00 10.00 C ATOM 229 O LYS A 16 -1.006 3.840 -18.289 1.00 10.00 O ATOM 230 CB LYS A 16 -0.921 0.679 -17.974 1.00 10.00 C ATOM 231 CG LYS A 16 -1.199 0.748 -19.470 1.00 10.00 C ATOM 232 CD LYS A 16 -1.447 -0.631 -20.047 1.00 10.00 C ATOM 233 CE LYS A 16 -2.008 -0.569 -21.461 1.00 10.00 C ATOM 234 NZ LYS A 16 -3.452 -0.222 -21.462 1.00 10.00 N ATOM 0 H LYS A 16 -2.955 0.291 -16.723 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.903 2.150 -16.388 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.156 0.715 -17.813 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -1.268 -0.282 -17.594 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -2.066 1.382 -19.652 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.353 1.211 -19.978 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -0.514 -1.194 -20.052 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.142 -1.172 -19.405 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.455 0.171 -22.040 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -1.864 -1.531 -21.953 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 -3.844 -0.370 -22.414 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -3.955 -0.828 -20.783 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 -3.570 0.775 -21.190 1.00 10.00 H new ATOM 248 N ASP A 17 -3.104 3.076 -18.557 1.00 10.00 N ATOM 249 CA ASP A 17 -3.502 4.166 -19.432 1.00 10.00 C ATOM 250 C ASP A 17 -3.611 5.457 -18.642 1.00 10.00 C ATOM 251 O ASP A 17 -3.426 6.554 -19.171 1.00 10.00 O ATOM 252 CB ASP A 17 -4.837 3.854 -20.097 1.00 10.00 C ATOM 253 CG ASP A 17 -4.672 3.248 -21.477 1.00 10.00 C ATOM 254 OD1 ASP A 17 -3.815 2.354 -21.649 1.00 10.00 O ATOM 255 OD2 ASP A 17 -5.403 3.665 -22.402 1.00 10.00 O ATOM 0 H ASP A 17 -3.840 2.396 -18.367 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.743 4.283 -20.205 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.401 3.166 -19.467 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.424 4.770 -20.174 1.00 10.00 H new ATOM 260 N LYS A 18 -3.943 5.314 -17.374 1.00 10.00 N ATOM 261 CA LYS A 18 -4.067 6.450 -16.478 1.00 10.00 C ATOM 262 C LYS A 18 -2.755 6.654 -15.704 1.00 10.00 C ATOM 263 O LYS A 18 -2.024 5.698 -15.445 1.00 10.00 O ATOM 264 CB LYS A 18 -5.253 6.237 -15.528 1.00 10.00 C ATOM 265 CG LYS A 18 -4.870 5.868 -14.100 1.00 10.00 C ATOM 266 CD LYS A 18 -6.039 5.283 -13.304 1.00 10.00 C ATOM 267 CE LYS A 18 -7.405 5.720 -13.827 1.00 10.00 C ATOM 268 NZ LYS A 18 -8.042 4.667 -14.668 1.00 10.00 N ATOM 0 H LYS A 18 -4.134 4.413 -16.936 1.00 10.00 H new ATOM 0 HA LYS A 18 -4.257 7.353 -17.057 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.850 7.149 -15.505 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.888 5.450 -15.934 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -4.054 5.145 -14.123 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.496 6.755 -13.588 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -5.979 4.195 -13.330 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -5.945 5.582 -12.260 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -8.057 5.956 -12.986 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -7.295 6.634 -14.411 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -9.008 4.960 -14.919 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -7.485 4.531 -15.536 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.079 3.774 -14.137 1.00 10.00 H new ATOM 282 N PRO A 19 -2.427 7.899 -15.333 1.00 10.00 N ATOM 283 CA PRO A 19 -1.192 8.186 -14.621 1.00 10.00 C ATOM 284 C PRO A 19 -1.307 8.087 -13.097 1.00 10.00 C ATOM 285 O PRO A 19 -1.372 9.102 -12.401 1.00 10.00 O ATOM 286 CB PRO A 19 -0.904 9.626 -15.042 1.00 10.00 C ATOM 287 CG PRO A 19 -2.240 10.247 -15.286 1.00 10.00 C ATOM 288 CD PRO A 19 -3.206 9.126 -15.599 1.00 10.00 C ATOM 0 HA PRO A 19 -0.412 7.465 -14.865 1.00 10.00 H new ATOM 0 HB2 PRO A 19 -0.359 10.161 -14.264 1.00 10.00 H new ATOM 0 HB3 PRO A 19 -0.288 9.656 -15.940 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -2.570 10.805 -14.410 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -2.190 10.954 -16.114 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -4.095 9.178 -14.971 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -3.544 9.168 -16.634 1.00 10.00 H new ATOM 296 N VAL A 20 -1.323 6.860 -12.575 1.00 10.00 N ATOM 297 CA VAL A 20 -1.372 6.643 -11.131 1.00 10.00 C ATOM 298 C VAL A 20 -0.551 5.414 -10.768 1.00 10.00 C ATOM 299 O VAL A 20 -0.614 4.385 -11.443 1.00 10.00 O ATOM 300 CB VAL A 20 -2.810 6.486 -10.530 1.00 10.00 C ATOM 301 CG1 VAL A 20 -3.750 7.582 -11.008 1.00 10.00 C ATOM 302 CG2 VAL A 20 -3.403 5.107 -10.803 1.00 10.00 C ATOM 0 H VAL A 20 -1.303 6.004 -13.130 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.959 7.552 -10.693 1.00 10.00 H new ATOM 0 HB VAL A 20 -2.701 6.588 -9.450 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -4.736 7.434 -10.567 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -3.359 8.554 -10.706 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.830 7.545 -12.094 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -4.400 5.047 -10.367 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -3.467 4.945 -11.879 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.766 4.342 -10.358 1.00 10.00 H new ATOM 312 N SER A 21 0.261 5.552 -9.739 1.00 10.00 N ATOM 313 CA SER A 21 1.074 4.456 -9.258 1.00 10.00 C ATOM 314 C SER A 21 0.490 3.965 -7.943 1.00 10.00 C ATOM 315 O SER A 21 -0.281 4.688 -7.305 1.00 10.00 O ATOM 316 CB SER A 21 2.515 4.927 -9.060 1.00 10.00 C ATOM 317 OG SER A 21 2.550 6.147 -8.328 1.00 10.00 O ATOM 0 H SER A 21 0.375 6.421 -9.217 1.00 10.00 H new ATOM 0 HA SER A 21 1.078 3.642 -9.983 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.083 4.163 -8.530 1.00 10.00 H new ATOM 0 HB3 SER A 21 2.994 5.065 -10.029 1.00 10.00 H new ATOM 0 HG SER A 21 3.480 6.431 -8.210 1.00 10.00 H new ATOM 323 N PHE A 22 0.852 2.770 -7.517 1.00 10.00 N ATOM 324 CA PHE A 22 0.333 2.248 -6.272 1.00 10.00 C ATOM 325 C PHE A 22 1.435 2.237 -5.210 1.00 10.00 C ATOM 326 O PHE A 22 2.616 2.408 -5.513 1.00 10.00 O ATOM 327 CB PHE A 22 -0.285 0.855 -6.478 1.00 10.00 C ATOM 328 CG PHE A 22 -1.791 0.870 -6.614 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.395 1.084 -7.849 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.605 0.662 -5.510 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.776 1.091 -7.975 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.983 0.667 -5.632 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.568 0.882 -6.864 1.00 10.00 C ATOM 0 H PHE A 22 1.496 2.150 -8.009 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.466 2.899 -5.917 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.147 0.405 -7.372 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.012 0.218 -5.636 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -1.780 1.247 -8.722 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -2.157 0.494 -4.542 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -4.231 1.260 -8.940 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.602 0.503 -4.762 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.644 0.887 -6.958 1.00 10.00 H new ATOM 343 N HIS A 23 1.016 2.144 -3.960 1.00 10.00 N ATOM 344 CA HIS A 23 1.919 2.135 -2.798 1.00 10.00 C ATOM 345 C HIS A 23 1.227 1.459 -1.645 1.00 10.00 C ATOM 346 O HIS A 23 0.072 1.133 -1.750 1.00 10.00 O ATOM 347 CB HIS A 23 2.263 3.547 -2.320 1.00 10.00 C ATOM 348 CG HIS A 23 1.898 4.632 -3.260 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.648 5.395 -4.083 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.603 5.012 -3.456 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.784 6.215 -4.763 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.555 5.953 -4.354 1.00 10.00 N flip ATOM 0 H HIS A 23 0.030 2.071 -3.709 1.00 10.00 H new ATOM 0 HA HIS A 23 2.829 1.621 -3.108 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.760 3.725 -1.370 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.335 3.598 -2.128 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.663 5.367 -4.181 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.252 4.596 -2.944 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.061 6.949 -5.505 1.00 10.00 H new ATOM 361 N LYS A 24 1.917 1.270 -0.546 1.00 10.00 N ATOM 362 CA LYS A 24 1.309 0.665 0.625 1.00 10.00 C ATOM 363 C LYS A 24 1.212 1.738 1.722 1.00 10.00 C ATOM 364 O LYS A 24 1.816 2.801 1.585 1.00 10.00 O ATOM 365 CB LYS A 24 2.135 -0.528 1.115 1.00 10.00 C ATOM 366 CG LYS A 24 2.225 -1.670 0.114 1.00 10.00 C ATOM 367 CD LYS A 24 1.538 -2.929 0.628 1.00 10.00 C ATOM 368 CE LYS A 24 2.155 -3.426 1.930 1.00 10.00 C ATOM 369 NZ LYS A 24 3.643 -3.453 1.874 1.00 10.00 N ATOM 0 H LYS A 24 2.898 1.524 -0.433 1.00 10.00 H new ATOM 0 HA LYS A 24 0.316 0.293 0.374 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.142 -0.186 1.353 1.00 10.00 H new ATOM 0 HB3 LYS A 24 1.699 -0.903 2.041 1.00 10.00 H new ATOM 0 HG2 LYS A 24 1.768 -1.365 -0.827 1.00 10.00 H new ATOM 0 HG3 LYS A 24 3.272 -1.887 -0.096 1.00 10.00 H new ATOM 0 HD2 LYS A 24 0.478 -2.726 0.783 1.00 10.00 H new ATOM 0 HD3 LYS A 24 1.605 -3.712 -0.127 1.00 10.00 H new ATOM 0 HE2 LYS A 24 1.836 -2.783 2.750 1.00 10.00 H new ATOM 0 HE3 LYS A 24 1.783 -4.427 2.147 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.012 -3.981 2.690 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 3.949 -3.917 0.995 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.009 -2.480 1.898 1.00 10.00 H new ATOM 383 N PHE A 25 0.444 1.488 2.784 1.00 10.00 N ATOM 384 CA PHE A 25 0.314 2.463 3.882 1.00 10.00 C ATOM 385 C PHE A 25 1.667 2.752 4.541 1.00 10.00 C ATOM 386 O PHE A 25 2.592 1.936 4.460 1.00 10.00 O ATOM 387 CB PHE A 25 -0.609 1.927 4.980 1.00 10.00 C ATOM 388 CG PHE A 25 -2.016 2.479 4.980 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.903 2.140 3.986 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.454 3.315 5.996 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.197 2.627 3.986 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.748 3.802 6.008 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.620 3.460 4.996 1.00 10.00 C ATOM 0 H PHE A 25 -0.094 0.631 2.912 1.00 10.00 H new ATOM 0 HA PHE A 25 -0.093 3.372 3.438 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.664 0.842 4.886 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -0.155 2.140 5.947 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.584 1.482 3.191 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.775 3.590 6.789 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.876 2.353 3.192 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.075 4.449 6.808 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.629 3.844 4.996 1.00 10.00 H new ATOM 403 N PRO A 26 1.795 3.922 5.204 1.00 10.00 N ATOM 404 CA PRO A 26 3.013 4.301 5.939 1.00 10.00 C ATOM 405 C PRO A 26 3.166 3.427 7.184 1.00 10.00 C ATOM 406 O PRO A 26 2.952 3.877 8.309 1.00 10.00 O ATOM 407 CB PRO A 26 2.739 5.750 6.350 1.00 10.00 C ATOM 408 CG PRO A 26 1.261 5.830 6.414 1.00 10.00 C ATOM 409 CD PRO A 26 0.774 4.985 5.276 1.00 10.00 C ATOM 0 HA PRO A 26 3.924 4.183 5.352 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.194 5.985 7.312 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.146 6.455 5.625 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.887 5.459 7.368 1.00 10.00 H new ATOM 0 HG3 PRO A 26 0.917 6.860 6.316 1.00 10.00 H new ATOM 0 HD2 PRO A 26 -0.220 4.580 5.468 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.713 5.552 4.347 1.00 10.00 H new ATOM 417 N LEU A 27 3.542 2.177 6.971 1.00 10.00 N ATOM 418 CA LEU A 27 3.677 1.214 8.048 1.00 10.00 C ATOM 419 C LEU A 27 4.821 1.576 8.966 1.00 10.00 C ATOM 420 O LEU A 27 4.854 1.190 10.132 1.00 10.00 O ATOM 421 CB LEU A 27 3.882 -0.177 7.458 1.00 10.00 C ATOM 422 CG LEU A 27 2.596 -0.857 6.992 1.00 10.00 C ATOM 423 CD1 LEU A 27 2.884 -2.251 6.456 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.602 -0.914 8.139 1.00 10.00 C ATOM 0 H LEU A 27 3.762 1.803 6.048 1.00 10.00 H new ATOM 0 HA LEU A 27 2.764 1.224 8.644 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.567 -0.103 6.613 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.363 -0.809 8.205 1.00 10.00 H new ATOM 0 HG LEU A 27 2.164 -0.273 6.180 1.00 10.00 H new ATOM 0 HD11 LEU A 27 1.953 -2.715 6.130 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.570 -2.182 5.612 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.336 -2.857 7.242 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.686 -1.400 7.803 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.031 -1.481 8.965 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.374 0.098 8.474 1.00 10.00 H new ATOM 436 N THR A 28 5.747 2.334 8.432 1.00 10.00 N ATOM 437 CA THR A 28 6.904 2.751 9.181 1.00 10.00 C ATOM 438 C THR A 28 6.657 4.072 9.896 1.00 10.00 C ATOM 439 O THR A 28 7.556 4.633 10.523 1.00 10.00 O ATOM 440 CB THR A 28 8.104 2.853 8.242 1.00 10.00 C ATOM 441 OG1 THR A 28 7.871 3.864 7.249 1.00 10.00 O ATOM 442 CG2 THR A 28 8.311 1.520 7.554 1.00 10.00 C ATOM 0 H THR A 28 5.720 2.677 7.472 1.00 10.00 H new ATOM 0 HA THR A 28 7.112 2.006 9.949 1.00 10.00 H new ATOM 0 HB THR A 28 8.989 3.118 8.821 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.467 3.716 6.486 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.167 1.586 6.882 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.496 0.749 8.302 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.419 1.263 6.982 1.00 10.00 H new ATOM 450 N ARG A 29 5.427 4.558 9.807 1.00 10.00 N ATOM 451 CA ARG A 29 5.040 5.787 10.464 1.00 10.00 C ATOM 452 C ARG A 29 3.584 5.662 10.893 1.00 10.00 C ATOM 453 O ARG A 29 2.716 6.361 10.377 1.00 10.00 O ATOM 454 CB ARG A 29 5.241 6.985 9.531 1.00 10.00 C ATOM 455 CG ARG A 29 5.113 8.325 10.230 1.00 10.00 C ATOM 456 CD ARG A 29 5.625 9.450 9.357 1.00 10.00 C ATOM 457 NE ARG A 29 6.743 10.149 9.982 1.00 10.00 N ATOM 458 CZ ARG A 29 7.920 10.358 9.395 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.142 9.935 8.157 1.00 10.00 N ATOM 460 NH2 ARG A 29 8.876 11.005 10.044 1.00 10.00 N ATOM 0 H ARG A 29 4.677 4.111 9.279 1.00 10.00 H new ATOM 0 HA ARG A 29 5.665 5.955 11.341 1.00 10.00 H new ATOM 0 HB2 ARG A 29 6.227 6.916 9.072 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.510 6.934 8.724 1.00 10.00 H new ATOM 0 HG2 ARG A 29 4.069 8.506 10.486 1.00 10.00 H new ATOM 0 HG3 ARG A 29 5.672 8.305 11.166 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.939 9.049 8.393 1.00 10.00 H new ATOM 0 HD3 ARG A 29 4.818 10.156 9.161 1.00 10.00 H new ATOM 0 HE ARG A 29 6.615 10.501 10.931 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.408 9.445 7.646 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.047 10.100 7.716 1.00 10.00 H new ATOM 0 HH21 ARG A 29 8.710 11.342 10.992 1.00 10.00 H new ATOM 0 HH22 ARG A 29 9.778 11.166 9.596 1.00 10.00 H new ATOM 474 N PRO A 30 3.301 4.729 11.825 1.00 10.00 N ATOM 475 CA PRO A 30 1.951 4.456 12.319 1.00 10.00 C ATOM 476 C PRO A 30 1.125 5.698 12.644 1.00 10.00 C ATOM 477 O PRO A 30 -0.003 5.805 12.192 1.00 10.00 O ATOM 478 CB PRO A 30 2.167 3.656 13.595 1.00 10.00 C ATOM 479 CG PRO A 30 3.644 3.564 13.801 1.00 10.00 C ATOM 480 CD PRO A 30 4.276 3.837 12.471 1.00 10.00 C ATOM 0 HA PRO A 30 1.383 3.941 11.544 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.688 4.144 14.443 1.00 10.00 H new ATOM 0 HB3 PRO A 30 1.726 2.663 13.508 1.00 10.00 H new ATOM 0 HG2 PRO A 30 3.978 4.287 14.545 1.00 10.00 H new ATOM 0 HG3 PRO A 30 3.924 2.577 14.168 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.251 4.312 12.576 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.428 2.921 11.899 1.00 10.00 H new ATOM 488 N SER A 31 1.666 6.611 13.445 1.00 10.00 N ATOM 489 CA SER A 31 0.947 7.837 13.798 1.00 10.00 C ATOM 490 C SER A 31 0.403 8.492 12.541 1.00 10.00 C ATOM 491 O SER A 31 -0.790 8.769 12.428 1.00 10.00 O ATOM 492 CB SER A 31 1.897 8.785 14.523 1.00 10.00 C ATOM 493 OG SER A 31 3.236 8.553 14.106 1.00 10.00 O ATOM 0 H SER A 31 2.594 6.529 13.861 1.00 10.00 H new ATOM 0 HA SER A 31 0.111 7.598 14.455 1.00 10.00 H new ATOM 0 HB2 SER A 31 1.618 9.818 14.317 1.00 10.00 H new ATOM 0 HB3 SER A 31 1.814 8.641 15.600 1.00 10.00 H new ATOM 0 HG SER A 31 3.836 9.168 14.577 1.00 10.00 H new ATOM 499 N LEU A 32 1.281 8.670 11.574 1.00 10.00 N ATOM 500 CA LEU A 32 0.915 9.261 10.302 1.00 10.00 C ATOM 501 C LEU A 32 -0.074 8.341 9.592 1.00 10.00 C ATOM 502 O LEU A 32 -1.046 8.794 8.995 1.00 10.00 O ATOM 503 CB LEU A 32 2.188 9.477 9.472 1.00 10.00 C ATOM 504 CG LEU A 32 2.055 10.264 8.171 1.00 10.00 C ATOM 505 CD1 LEU A 32 1.950 9.331 6.984 1.00 10.00 C ATOM 506 CD2 LEU A 32 0.869 11.185 8.241 1.00 10.00 C ATOM 0 H LEU A 32 2.265 8.410 11.647 1.00 10.00 H new ATOM 0 HA LEU A 32 0.433 10.228 10.445 1.00 10.00 H new ATOM 0 HB2 LEU A 32 2.917 9.988 10.101 1.00 10.00 H new ATOM 0 HB3 LEU A 32 2.604 8.498 9.232 1.00 10.00 H new ATOM 0 HG LEU A 32 2.952 10.868 8.038 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.856 9.916 6.069 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.845 8.711 6.928 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.073 8.693 7.099 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.785 11.741 7.307 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.037 10.600 8.398 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.999 11.883 9.068 1.00 10.00 H new ATOM 518 N CYS A 33 0.128 7.043 9.759 1.00 10.00 N ATOM 519 CA CYS A 33 -0.731 6.044 9.136 1.00 10.00 C ATOM 520 C CYS A 33 -2.145 6.230 9.641 1.00 10.00 C ATOM 521 O CYS A 33 -3.127 6.138 8.906 1.00 10.00 O ATOM 522 CB CYS A 33 -0.241 4.659 9.550 1.00 10.00 C ATOM 523 SG CYS A 33 -1.092 3.266 8.783 1.00 10.00 S ATOM 0 H CYS A 33 0.883 6.654 10.324 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.706 6.148 8.051 1.00 10.00 H new ATOM 0 HB2 CYS A 33 0.821 4.585 9.317 1.00 10.00 H new ATOM 0 HB3 CYS A 33 -0.337 4.568 10.632 1.00 10.00 H new ATOM 0 HG CYS A 33 -1.400 3.568 7.556 1.00 10.00 H new ATOM 529 N LYS A 34 -2.197 6.580 10.900 1.00 10.00 N ATOM 530 CA LYS A 34 -3.421 6.748 11.615 1.00 10.00 C ATOM 531 C LYS A 34 -4.240 7.931 11.117 1.00 10.00 C ATOM 532 O LYS A 34 -5.472 7.864 11.116 1.00 10.00 O ATOM 533 CB LYS A 34 -3.070 6.874 13.089 1.00 10.00 C ATOM 534 CG LYS A 34 -4.055 7.670 13.915 1.00 10.00 C ATOM 535 CD LYS A 34 -3.317 8.667 14.780 1.00 10.00 C ATOM 536 CE LYS A 34 -4.156 9.092 15.977 1.00 10.00 C ATOM 537 NZ LYS A 34 -3.664 10.362 16.573 1.00 10.00 N ATOM 0 H LYS A 34 -1.366 6.759 11.464 1.00 10.00 H new ATOM 0 HA LYS A 34 -4.063 5.883 11.450 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.987 5.874 13.514 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -2.088 7.339 13.175 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.754 8.191 13.261 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.644 6.999 14.540 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -2.382 8.228 15.127 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -3.057 9.543 14.187 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -5.194 9.214 15.668 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -4.138 8.305 16.731 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -4.261 10.618 17.385 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -2.681 10.239 16.891 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -3.705 11.119 15.861 1.00 10.00 H new ATOM 551 N GLU A 35 -3.601 9.001 10.638 1.00 10.00 N ATOM 552 CA GLU A 35 -4.404 10.127 10.186 1.00 10.00 C ATOM 553 C GLU A 35 -5.051 9.784 8.875 1.00 10.00 C ATOM 554 O GLU A 35 -6.052 10.391 8.501 1.00 10.00 O ATOM 555 CB GLU A 35 -3.667 11.453 10.058 1.00 10.00 C ATOM 556 CG GLU A 35 -2.191 11.359 9.791 1.00 10.00 C ATOM 557 CD GLU A 35 -1.475 12.627 10.209 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.255 12.815 11.429 1.00 10.00 O ATOM 559 OE2 GLU A 35 -1.151 13.454 9.336 1.00 10.00 O ATOM 0 H GLU A 35 -2.590 9.107 10.557 1.00 10.00 H new ATOM 0 HA GLU A 35 -5.141 10.287 10.973 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -4.127 12.026 9.253 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.815 12.019 10.977 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.775 10.509 10.331 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -2.022 11.176 8.730 1.00 10.00 H new ATOM 566 N TRP A 36 -4.502 8.794 8.177 1.00 10.00 N ATOM 567 CA TRP A 36 -5.090 8.384 6.928 1.00 10.00 C ATOM 568 C TRP A 36 -6.490 7.888 7.227 1.00 10.00 C ATOM 569 O TRP A 36 -7.416 8.126 6.461 1.00 10.00 O ATOM 570 CB TRP A 36 -4.241 7.316 6.226 1.00 10.00 C ATOM 571 CG TRP A 36 -2.915 7.834 5.738 1.00 10.00 C ATOM 572 CD1 TRP A 36 -2.168 8.830 6.303 1.00 10.00 C ATOM 573 CD2 TRP A 36 -2.180 7.393 4.581 1.00 10.00 C ATOM 574 NE1 TRP A 36 -1.028 9.047 5.570 1.00 10.00 N ATOM 575 CE2 TRP A 36 -1.006 8.174 4.516 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.397 6.420 3.595 1.00 10.00 C ATOM 577 CZ2 TRP A 36 -0.059 8.014 3.511 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.450 6.264 2.594 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.294 7.059 2.562 1.00 10.00 C ATOM 0 H TRP A 36 -3.668 8.277 8.456 1.00 10.00 H new ATOM 0 HA TRP A 36 -5.133 9.225 6.236 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -4.069 6.489 6.914 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.800 6.916 5.380 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -2.437 9.370 7.199 1.00 10.00 H new ATOM 0 HE1 TRP A 36 -0.314 9.745 5.777 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.284 5.804 3.615 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 0.832 8.624 3.481 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.605 5.519 1.827 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.426 6.913 1.770 1.00 10.00 H new ATOM 590 N GLU A 37 -6.652 7.296 8.417 1.00 10.00 N ATOM 591 CA GLU A 37 -7.945 6.795 8.847 1.00 10.00 C ATOM 592 C GLU A 37 -8.907 7.969 8.981 1.00 10.00 C ATOM 593 O GLU A 37 -10.084 7.873 8.635 1.00 10.00 O ATOM 594 CB GLU A 37 -7.843 6.088 10.199 1.00 10.00 C ATOM 595 CG GLU A 37 -6.683 5.118 10.332 1.00 10.00 C ATOM 596 CD GLU A 37 -7.041 3.699 9.940 1.00 10.00 C ATOM 597 OE1 GLU A 37 -8.060 3.179 10.446 1.00 10.00 O ATOM 598 OE2 GLU A 37 -6.285 3.080 9.165 1.00 10.00 O ATOM 0 H GLU A 37 -5.900 7.157 9.092 1.00 10.00 H new ATOM 0 HA GLU A 37 -8.302 6.079 8.106 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.757 6.843 10.981 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.772 5.547 10.380 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.857 5.462 9.709 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.329 5.125 11.363 1.00 10.00 H new ATOM 605 N ALA A 38 -8.362 9.098 9.433 1.00 10.00 N ATOM 606 CA ALA A 38 -9.132 10.311 9.641 1.00 10.00 C ATOM 607 C ALA A 38 -9.732 10.795 8.336 1.00 10.00 C ATOM 608 O ALA A 38 -10.760 11.464 8.333 1.00 10.00 O ATOM 609 CB ALA A 38 -8.268 11.392 10.271 1.00 10.00 C ATOM 0 H ALA A 38 -7.373 9.191 9.664 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.949 10.085 10.327 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.863 12.293 10.419 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.893 11.043 11.233 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.428 11.616 9.613 1.00 10.00 H new ATOM 615 N ALA A 39 -9.094 10.448 7.225 1.00 10.00 N ATOM 616 CA ALA A 39 -9.594 10.841 5.923 1.00 10.00 C ATOM 617 C ALA A 39 -10.596 9.803 5.426 1.00 10.00 C ATOM 618 O ALA A 39 -11.512 10.117 4.664 1.00 10.00 O ATOM 619 CB ALA A 39 -8.449 11.031 4.939 1.00 10.00 C ATOM 0 H ALA A 39 -8.235 9.899 7.204 1.00 10.00 H new ATOM 0 HA ALA A 39 -10.105 11.800 6.009 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.848 11.326 3.969 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.778 11.808 5.307 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.899 10.096 4.836 1.00 10.00 H new ATOM 625 N VAL A 40 -10.432 8.566 5.891 1.00 10.00 N ATOM 626 CA VAL A 40 -11.328 7.474 5.524 1.00 10.00 C ATOM 627 C VAL A 40 -12.484 7.415 6.527 1.00 10.00 C ATOM 628 O VAL A 40 -12.874 6.349 6.994 1.00 10.00 O ATOM 629 CB VAL A 40 -10.614 6.106 5.517 1.00 10.00 C ATOM 630 CG1 VAL A 40 -11.343 5.123 4.615 1.00 10.00 C ATOM 631 CG2 VAL A 40 -9.158 6.228 5.095 1.00 10.00 C ATOM 0 H VAL A 40 -9.682 8.295 6.527 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.688 7.672 4.514 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.632 5.728 6.539 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.823 4.165 4.625 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -12.363 4.986 4.975 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.367 5.512 3.597 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.693 5.242 5.104 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -9.104 6.646 4.090 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.632 6.884 5.789 1.00 10.00 H new ATOM 641 N ARG A 41 -13.019 8.581 6.851 1.00 10.00 N ATOM 642 CA ARG A 41 -14.114 8.714 7.822 1.00 10.00 C ATOM 643 C ARG A 41 -15.443 8.158 7.305 1.00 10.00 C ATOM 644 O ARG A 41 -16.493 8.391 7.904 1.00 10.00 O ATOM 645 CB ARG A 41 -14.290 10.187 8.219 1.00 10.00 C ATOM 646 CG ARG A 41 -14.947 11.054 7.146 1.00 10.00 C ATOM 647 CD ARG A 41 -13.928 11.630 6.175 1.00 10.00 C ATOM 648 NE ARG A 41 -12.824 12.288 6.868 1.00 10.00 N ATOM 649 CZ ARG A 41 -12.598 13.600 6.850 1.00 10.00 C ATOM 650 NH1 ARG A 41 -13.403 14.418 6.183 1.00 10.00 N ATOM 651 NH2 ARG A 41 -11.565 14.095 7.512 1.00 10.00 N ATOM 0 H ARG A 41 -12.712 9.468 6.452 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.834 8.120 8.692 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -14.890 10.237 9.127 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -13.313 10.606 8.459 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -15.676 10.459 6.596 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -15.494 11.868 7.622 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -13.536 10.832 5.545 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -14.420 12.345 5.515 1.00 10.00 H new ATOM 0 HE ARG A 41 -12.182 11.703 7.402 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -14.205 14.043 5.677 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -13.219 15.421 6.177 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -10.947 13.472 8.032 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -11.387 15.099 7.502 1.00 10.00 H new ATOM 665 N ARG A 42 -15.397 7.425 6.207 1.00 10.00 N ATOM 666 CA ARG A 42 -16.594 6.853 5.619 1.00 10.00 C ATOM 667 C ARG A 42 -16.958 5.546 6.307 1.00 10.00 C ATOM 668 O ARG A 42 -16.107 4.900 6.917 1.00 10.00 O ATOM 669 CB ARG A 42 -16.369 6.594 4.130 1.00 10.00 C ATOM 670 CG ARG A 42 -17.641 6.605 3.307 1.00 10.00 C ATOM 671 CD ARG A 42 -18.080 8.020 2.974 1.00 10.00 C ATOM 672 NE ARG A 42 -19.326 8.038 2.211 1.00 10.00 N ATOM 673 CZ ARG A 42 -19.726 9.060 1.462 1.00 10.00 C ATOM 674 NH1 ARG A 42 -18.991 10.159 1.387 1.00 10.00 N ATOM 675 NH2 ARG A 42 -20.870 8.989 0.794 1.00 10.00 N ATOM 0 H ARG A 42 -14.537 7.211 5.702 1.00 10.00 H new ATOM 0 HA ARG A 42 -17.412 7.561 5.750 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.688 7.350 3.738 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -15.878 5.629 4.009 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -17.483 6.046 2.385 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -18.434 6.097 3.856 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -18.211 8.586 3.896 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.297 8.518 2.402 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.926 7.215 2.256 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -18.115 10.223 1.905 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -19.301 10.942 0.811 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -21.445 8.149 0.855 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -21.175 9.775 0.220 1.00 10.00 H new ATOM 689 N LYS A 43 -18.228 5.172 6.217 1.00 10.00 N ATOM 690 CA LYS A 43 -18.703 3.928 6.797 1.00 10.00 C ATOM 691 C LYS A 43 -18.017 2.756 6.118 1.00 10.00 C ATOM 692 O LYS A 43 -17.560 1.817 6.771 1.00 10.00 O ATOM 693 CB LYS A 43 -20.224 3.811 6.627 1.00 10.00 C ATOM 694 CG LYS A 43 -20.717 2.389 6.370 1.00 10.00 C ATOM 695 CD LYS A 43 -22.231 2.338 6.259 1.00 10.00 C ATOM 696 CE LYS A 43 -22.749 0.909 6.316 1.00 10.00 C ATOM 697 NZ LYS A 43 -23.058 0.368 4.964 1.00 10.00 N ATOM 0 H LYS A 43 -18.949 5.718 5.745 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.467 3.919 7.861 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.709 4.195 7.524 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.536 4.447 5.799 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -20.270 2.008 5.452 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -20.388 1.737 7.179 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -22.675 2.919 7.067 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.544 2.802 5.323 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -22.006 0.274 6.798 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -23.647 0.874 6.933 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -23.408 -0.608 5.052 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -23.786 0.957 4.512 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -22.196 0.376 4.382 1.00 10.00 H new ATOM 711 N ASN A 44 -17.936 2.837 4.797 1.00 10.00 N ATOM 712 CA ASN A 44 -17.324 1.790 4.004 1.00 10.00 C ATOM 713 C ASN A 44 -15.804 1.932 3.987 1.00 10.00 C ATOM 714 O ASN A 44 -15.205 2.159 2.936 1.00 10.00 O ATOM 715 CB ASN A 44 -17.879 1.781 2.570 1.00 10.00 C ATOM 716 CG ASN A 44 -18.159 3.172 2.021 1.00 10.00 C ATOM 717 OD1 ASN A 44 -17.259 3.864 1.547 1.00 10.00 O ATOM 718 ND2 ASN A 44 -19.419 3.580 2.063 1.00 10.00 N ATOM 0 H ASN A 44 -18.290 3.624 4.253 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.574 0.837 4.471 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.167 1.277 1.916 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.800 1.198 2.548 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -19.671 4.497 1.694 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -20.137 2.977 2.464 1.00 10.00 H new ATOM 725 N PHE A 45 -15.194 1.840 5.165 1.00 10.00 N ATOM 726 CA PHE A 45 -13.745 1.917 5.286 1.00 10.00 C ATOM 727 C PHE A 45 -13.137 0.717 4.562 1.00 10.00 C ATOM 728 O PHE A 45 -13.331 -0.431 4.969 1.00 10.00 O ATOM 729 CB PHE A 45 -13.326 1.953 6.775 1.00 10.00 C ATOM 730 CG PHE A 45 -11.861 2.253 7.016 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.883 1.397 6.547 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.459 3.388 7.714 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.546 1.653 6.752 1.00 10.00 C ATOM 734 CE2 PHE A 45 -10.119 3.649 7.925 1.00 10.00 C ATOM 735 CZ PHE A 45 -9.162 2.781 7.441 1.00 10.00 C ATOM 0 H PHE A 45 -15.684 1.712 6.050 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.377 2.836 4.829 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.925 2.705 7.288 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.565 0.991 7.228 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -11.174 0.508 6.008 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -12.203 4.072 8.095 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.800 0.970 6.373 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.820 4.533 8.469 1.00 10.00 H new ATOM 0 HZ PHE A 45 -8.114 2.986 7.602 1.00 10.00 H new ATOM 745 N LYS A 46 -12.438 1.001 3.471 1.00 10.00 N ATOM 746 CA LYS A 46 -11.804 -0.022 2.646 1.00 10.00 C ATOM 747 C LYS A 46 -10.660 -0.731 3.388 1.00 10.00 C ATOM 748 O LYS A 46 -10.418 -0.438 4.547 1.00 10.00 O ATOM 749 CB LYS A 46 -11.342 0.635 1.348 1.00 10.00 C ATOM 750 CG LYS A 46 -12.084 0.108 0.130 1.00 10.00 C ATOM 751 CD LYS A 46 -12.763 1.219 -0.650 1.00 10.00 C ATOM 752 CE LYS A 46 -14.003 0.726 -1.374 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.739 -0.529 -2.127 1.00 10.00 N ATOM 0 H LYS A 46 -12.293 1.952 3.131 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.523 -0.808 2.414 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.487 1.713 1.419 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.273 0.465 1.219 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -11.385 -0.416 -0.521 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.831 -0.620 0.448 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -13.036 2.026 0.030 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -12.062 1.636 -1.373 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -14.802 0.556 -0.652 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -14.353 1.496 -2.062 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.512 -0.698 -2.802 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -12.841 -0.441 -2.644 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -13.679 -1.327 -1.462 1.00 10.00 H new ATOM 767 N PRO A 47 -9.947 -1.685 2.740 1.00 10.00 N ATOM 768 CA PRO A 47 -8.865 -2.435 3.389 1.00 10.00 C ATOM 769 C PRO A 47 -7.876 -1.578 4.162 1.00 10.00 C ATOM 770 O PRO A 47 -7.704 -0.383 3.913 1.00 10.00 O ATOM 771 CB PRO A 47 -8.188 -3.165 2.245 1.00 10.00 C ATOM 772 CG PRO A 47 -9.249 -3.325 1.215 1.00 10.00 C ATOM 773 CD PRO A 47 -10.126 -2.112 1.338 1.00 10.00 C ATOM 0 HA PRO A 47 -9.266 -3.097 4.156 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.343 -2.596 1.857 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.800 -4.132 2.567 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.817 -3.396 0.217 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.820 -4.239 1.381 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.826 -1.330 0.641 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -11.168 -2.349 1.122 1.00 10.00 H new ATOM 781 N THR A 48 -7.178 -2.252 5.052 1.00 10.00 N ATOM 782 CA THR A 48 -6.243 -1.631 5.962 1.00 10.00 C ATOM 783 C THR A 48 -4.909 -1.299 5.331 1.00 10.00 C ATOM 784 O THR A 48 -4.723 -1.399 4.114 1.00 10.00 O ATOM 785 CB THR A 48 -5.999 -2.580 7.140 1.00 10.00 C ATOM 786 OG1 THR A 48 -5.198 -3.696 6.719 1.00 10.00 O ATOM 787 CG2 THR A 48 -7.312 -3.106 7.651 1.00 10.00 C ATOM 0 H THR A 48 -7.247 -3.264 5.164 1.00 10.00 H new ATOM 0 HA THR A 48 -6.691 -0.689 6.278 1.00 10.00 H new ATOM 0 HB THR A 48 -5.482 -2.028 7.925 1.00 10.00 H new ATOM 0 HG1 THR A 48 -5.426 -4.483 7.257 1.00 10.00 H new ATOM 0 HG21 THR A 48 -7.133 -3.780 8.488 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.933 -2.274 7.982 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.823 -3.646 6.854 1.00 10.00 H new ATOM 795 N LYS A 49 -3.973 -0.952 6.201 1.00 10.00 N ATOM 796 CA LYS A 49 -2.627 -0.574 5.815 1.00 10.00 C ATOM 797 C LYS A 49 -1.881 -1.676 5.091 1.00 10.00 C ATOM 798 O LYS A 49 -0.791 -1.437 4.573 1.00 10.00 O ATOM 799 CB LYS A 49 -1.821 -0.132 7.038 1.00 10.00 C ATOM 800 CG LYS A 49 -2.155 -0.866 8.323 1.00 10.00 C ATOM 801 CD LYS A 49 -2.518 0.122 9.419 1.00 10.00 C ATOM 802 CE LYS A 49 -3.926 0.661 9.232 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.240 1.751 10.189 1.00 10.00 N ATOM 0 H LYS A 49 -4.132 -0.925 7.208 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.735 0.256 5.117 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.761 -0.268 6.824 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -1.981 0.935 7.194 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -2.986 -1.551 8.153 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.303 -1.470 8.636 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -2.439 -0.365 10.391 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -1.807 0.948 9.417 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -4.039 1.031 8.213 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -4.644 -0.150 9.359 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -4.840 2.461 9.722 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -4.743 1.358 11.010 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -3.357 2.199 10.506 1.00 10.00 H new ATOM 817 N TYR A 50 -2.429 -2.882 5.051 1.00 10.00 N ATOM 818 CA TYR A 50 -1.744 -3.934 4.346 1.00 10.00 C ATOM 819 C TYR A 50 -2.037 -3.805 2.871 1.00 10.00 C ATOM 820 O TYR A 50 -1.262 -4.253 2.032 1.00 10.00 O ATOM 821 CB TYR A 50 -2.169 -5.292 4.850 1.00 10.00 C ATOM 822 CG TYR A 50 -1.681 -5.617 6.235 1.00 10.00 C ATOM 823 CD1 TYR A 50 -0.366 -5.991 6.451 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.549 -5.599 7.313 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.072 -6.355 7.700 1.00 10.00 C ATOM 826 CE2 TYR A 50 -2.115 -5.946 8.578 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.804 -6.329 8.760 1.00 10.00 C ATOM 828 OH TYR A 50 -0.373 -6.743 9.991 1.00 10.00 O ATOM 0 H TYR A 50 -3.315 -3.143 5.484 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.672 -3.840 4.519 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -3.258 -5.347 4.838 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.804 -6.053 4.161 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.327 -5.997 5.623 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.579 -5.310 7.163 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.097 -6.660 7.849 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.796 -5.917 9.416 1.00 10.00 H new ATOM 0 HH TYR A 50 -1.106 -6.665 10.637 1.00 10.00 H new ATOM 838 N SER A 51 -3.169 -3.196 2.564 1.00 10.00 N ATOM 839 CA SER A 51 -3.551 -2.985 1.189 1.00 10.00 C ATOM 840 C SER A 51 -2.726 -1.852 0.596 1.00 10.00 C ATOM 841 O SER A 51 -1.991 -1.168 1.311 1.00 10.00 O ATOM 842 CB SER A 51 -5.039 -2.707 1.079 1.00 10.00 C ATOM 843 OG SER A 51 -5.726 -3.895 0.719 1.00 10.00 O ATOM 0 H SER A 51 -3.835 -2.842 3.251 1.00 10.00 H new ATOM 0 HA SER A 51 -3.350 -3.892 0.619 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.419 -2.330 2.029 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.219 -1.932 0.334 1.00 10.00 H new ATOM 0 HG SER A 51 -6.432 -3.682 0.073 1.00 10.00 H new ATOM 849 N SER A 52 -2.840 -1.661 -0.698 1.00 10.00 N ATOM 850 CA SER A 52 -2.070 -0.650 -1.373 1.00 10.00 C ATOM 851 C SER A 52 -2.958 0.515 -1.853 1.00 10.00 C ATOM 852 O SER A 52 -4.118 0.323 -2.217 1.00 10.00 O ATOM 853 CB SER A 52 -1.287 -1.325 -2.501 1.00 10.00 C ATOM 854 OG SER A 52 -1.894 -2.576 -2.892 1.00 10.00 O ATOM 0 H SER A 52 -3.462 -2.196 -1.304 1.00 10.00 H new ATOM 0 HA SER A 52 -1.360 -0.190 -0.686 1.00 10.00 H new ATOM 0 HB2 SER A 52 -1.239 -0.658 -3.362 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.261 -1.502 -2.178 1.00 10.00 H new ATOM 0 HG SER A 52 -1.371 -2.981 -3.615 1.00 10.00 H new ATOM 860 N ILE A 53 -2.390 1.724 -1.828 1.00 10.00 N ATOM 861 CA ILE A 53 -3.091 2.954 -2.195 1.00 10.00 C ATOM 862 C ILE A 53 -2.475 3.519 -3.478 1.00 10.00 C ATOM 863 O ILE A 53 -1.372 3.137 -3.833 1.00 10.00 O ATOM 864 CB ILE A 53 -3.003 3.997 -1.033 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.619 3.438 0.256 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.699 5.297 -1.393 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.740 2.451 0.989 1.00 10.00 C ATOM 0 H ILE A 53 -1.421 1.876 -1.549 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.144 2.735 -2.370 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.944 4.199 -0.871 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.849 4.268 0.924 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.564 2.953 0.012 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.617 5.996 -0.561 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.230 5.728 -2.277 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.751 5.101 -1.599 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.251 2.106 1.888 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.530 1.600 0.341 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.804 2.935 1.267 1.00 10.00 H new ATOM 879 N CYS A 54 -3.149 4.446 -4.154 1.00 10.00 N ATOM 880 CA CYS A 54 -2.636 4.989 -5.408 1.00 10.00 C ATOM 881 C CYS A 54 -2.317 6.495 -5.319 1.00 10.00 C ATOM 882 O CYS A 54 -2.829 7.211 -4.457 1.00 10.00 O ATOM 883 CB CYS A 54 -3.609 4.674 -6.542 1.00 10.00 C ATOM 884 SG CYS A 54 -5.216 5.447 -6.363 1.00 10.00 S ATOM 0 H CYS A 54 -4.044 4.834 -3.857 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.683 4.504 -5.620 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -3.167 4.994 -7.485 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.742 3.594 -6.603 1.00 10.00 H new ATOM 0 HG CYS A 54 -6.046 4.603 -5.826 1.00 10.00 H new ATOM 889 N SER A 55 -1.432 6.919 -6.226 1.00 10.00 N ATOM 890 CA SER A 55 -0.888 8.288 -6.332 1.00 10.00 C ATOM 891 C SER A 55 -1.886 9.416 -6.080 1.00 10.00 C ATOM 892 O SER A 55 -1.719 10.180 -5.135 1.00 10.00 O ATOM 893 CB SER A 55 -0.272 8.447 -7.724 1.00 10.00 C ATOM 894 OG SER A 55 0.328 9.713 -7.893 1.00 10.00 O ATOM 0 H SER A 55 -1.055 6.295 -6.940 1.00 10.00 H new ATOM 0 HA SER A 55 -0.153 8.388 -5.534 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.474 7.668 -7.882 1.00 10.00 H new ATOM 0 HB3 SER A 55 -1.044 8.307 -8.481 1.00 10.00 H new ATOM 0 HG SER A 55 1.169 9.746 -7.391 1.00 10.00 H new ATOM 900 N GLU A 56 -2.877 9.513 -6.959 1.00 10.00 N ATOM 901 CA GLU A 56 -3.935 10.541 -6.935 1.00 10.00 C ATOM 902 C GLU A 56 -4.408 10.982 -5.546 1.00 10.00 C ATOM 903 O GLU A 56 -4.919 12.084 -5.401 1.00 10.00 O ATOM 904 CB GLU A 56 -5.139 10.009 -7.708 1.00 10.00 C ATOM 905 CG GLU A 56 -5.193 8.492 -7.712 1.00 10.00 C ATOM 906 CD GLU A 56 -6.591 7.929 -7.834 1.00 10.00 C ATOM 907 OE1 GLU A 56 -7.225 8.112 -8.883 1.00 10.00 O ATOM 908 OE2 GLU A 56 -7.049 7.262 -6.870 1.00 10.00 O ATOM 0 H GLU A 56 -2.978 8.861 -7.737 1.00 10.00 H new ATOM 0 HA GLU A 56 -3.489 11.428 -7.385 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.055 10.402 -7.267 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.099 10.372 -8.735 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.588 8.119 -8.539 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.741 8.120 -6.793 1.00 10.00 H new ATOM 915 N HIS A 57 -4.239 10.146 -4.536 1.00 10.00 N ATOM 916 CA HIS A 57 -4.707 10.477 -3.195 1.00 10.00 C ATOM 917 C HIS A 57 -3.758 11.393 -2.421 1.00 10.00 C ATOM 918 O HIS A 57 -4.170 12.012 -1.437 1.00 10.00 O ATOM 919 CB HIS A 57 -4.990 9.195 -2.418 1.00 10.00 C ATOM 920 CG HIS A 57 -6.055 8.380 -3.071 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.312 8.865 -3.357 1.00 10.00 N ATOM 922 CD2 HIS A 57 -6.022 7.111 -3.545 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.992 7.899 -3.981 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.251 6.805 -4.125 1.00 10.00 N ATOM 0 H HIS A 57 -3.784 9.237 -4.615 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.628 11.048 -3.312 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -4.076 8.606 -2.342 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -5.294 9.445 -1.402 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -5.176 6.442 -3.483 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -9.012 7.995 -4.324 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.524 5.927 -4.567 1.00 10.00 H new ATOM 932 N PHE A 58 -2.506 11.492 -2.847 1.00 10.00 N ATOM 933 CA PHE A 58 -1.555 12.362 -2.173 1.00 10.00 C ATOM 934 C PHE A 58 -0.866 13.244 -3.185 1.00 10.00 C ATOM 935 O PHE A 58 -0.839 12.947 -4.380 1.00 10.00 O ATOM 936 CB PHE A 58 -0.473 11.584 -1.399 1.00 10.00 C ATOM 937 CG PHE A 58 -0.687 10.106 -1.315 1.00 10.00 C ATOM 938 CD1 PHE A 58 -1.511 9.560 -0.348 1.00 10.00 C ATOM 939 CD2 PHE A 58 -0.045 9.264 -2.197 1.00 10.00 C ATOM 940 CE1 PHE A 58 -1.693 8.197 -0.267 1.00 10.00 C ATOM 941 CE2 PHE A 58 -0.219 7.904 -2.119 1.00 10.00 C ATOM 942 CZ PHE A 58 -1.045 7.367 -1.154 1.00 10.00 C ATOM 0 H PHE A 58 -2.129 10.986 -3.648 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.128 12.950 -1.456 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.492 11.769 -1.871 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.415 11.984 -0.387 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -2.017 10.209 0.351 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.601 9.678 -2.957 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.342 7.781 0.490 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.292 7.254 -2.814 1.00 10.00 H new ATOM 0 HZ PHE A 58 -1.183 6.298 -1.094 1.00 10.00 H new ATOM 952 N THR A 59 -0.343 14.343 -2.704 1.00 10.00 N ATOM 953 CA THR A 59 0.398 15.251 -3.537 1.00 10.00 C ATOM 954 C THR A 59 1.731 14.626 -3.879 1.00 10.00 C ATOM 955 O THR A 59 2.262 13.843 -3.094 1.00 10.00 O ATOM 956 CB THR A 59 0.618 16.582 -2.808 1.00 10.00 C ATOM 957 OG1 THR A 59 0.754 16.352 -1.396 1.00 10.00 O ATOM 958 CG2 THR A 59 -0.551 17.509 -3.062 1.00 10.00 C ATOM 0 H THR A 59 -0.419 14.631 -1.729 1.00 10.00 H new ATOM 0 HA THR A 59 -0.164 15.446 -4.450 1.00 10.00 H new ATOM 0 HB THR A 59 1.531 17.044 -3.185 1.00 10.00 H new ATOM 0 HG1 THR A 59 0.896 17.206 -0.938 1.00 10.00 H new ATOM 0 HG21 THR A 59 -0.387 18.452 -2.541 1.00 10.00 H new ATOM 0 HG22 THR A 59 -0.641 17.696 -4.132 1.00 10.00 H new ATOM 0 HG23 THR A 59 -1.468 17.047 -2.696 1.00 10.00 H new ATOM 966 N PRO A 60 2.255 14.907 -5.073 1.00 10.00 N ATOM 967 CA PRO A 60 3.556 14.407 -5.509 1.00 10.00 C ATOM 968 C PRO A 60 4.603 14.612 -4.426 1.00 10.00 C ATOM 969 O PRO A 60 5.485 13.785 -4.212 1.00 10.00 O ATOM 970 CB PRO A 60 3.872 15.282 -6.736 1.00 10.00 C ATOM 971 CG PRO A 60 2.797 16.327 -6.771 1.00 10.00 C ATOM 972 CD PRO A 60 1.615 15.704 -6.118 1.00 10.00 C ATOM 0 HA PRO A 60 3.553 13.339 -5.728 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.859 15.737 -6.650 1.00 10.00 H new ATOM 0 HB3 PRO A 60 3.873 14.689 -7.651 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.108 17.228 -6.242 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.569 16.622 -7.795 1.00 10.00 H new ATOM 0 HD2 PRO A 60 0.932 16.448 -5.708 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.039 15.089 -6.810 1.00 10.00 H new ATOM 980 N ASP A 61 4.465 15.724 -3.725 1.00 10.00 N ATOM 981 CA ASP A 61 5.362 16.066 -2.631 1.00 10.00 C ATOM 982 C ASP A 61 5.270 15.005 -1.546 1.00 10.00 C ATOM 983 O ASP A 61 6.276 14.539 -1.024 1.00 10.00 O ATOM 984 CB ASP A 61 4.976 17.418 -2.028 1.00 10.00 C ATOM 985 CG ASP A 61 4.587 18.442 -3.075 1.00 10.00 C ATOM 986 OD1 ASP A 61 3.486 18.321 -3.655 1.00 10.00 O ATOM 987 OD2 ASP A 61 5.376 19.382 -3.318 1.00 10.00 O ATOM 0 H ASP A 61 3.733 16.413 -3.896 1.00 10.00 H new ATOM 0 HA ASP A 61 6.379 16.120 -3.021 1.00 10.00 H new ATOM 0 HB2 ASP A 61 4.144 17.278 -1.338 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.813 17.802 -1.445 1.00 10.00 H new ATOM 992 N SER A 62 4.039 14.612 -1.258 1.00 10.00 N ATOM 993 CA SER A 62 3.715 13.630 -0.229 1.00 10.00 C ATOM 994 C SER A 62 3.871 12.189 -0.710 1.00 10.00 C ATOM 995 O SER A 62 3.701 11.265 0.072 1.00 10.00 O ATOM 996 CB SER A 62 2.271 13.848 0.208 1.00 10.00 C ATOM 997 OG SER A 62 2.183 14.888 1.159 1.00 10.00 O ATOM 0 H SER A 62 3.218 14.974 -1.743 1.00 10.00 H new ATOM 0 HA SER A 62 4.414 13.773 0.595 1.00 10.00 H new ATOM 0 HB2 SER A 62 1.657 14.090 -0.659 1.00 10.00 H new ATOM 0 HB3 SER A 62 1.873 12.927 0.633 1.00 10.00 H new ATOM 0 HG SER A 62 1.314 15.334 1.077 1.00 10.00 H new ATOM 1003 N PHE A 63 4.248 12.037 -1.966 1.00 10.00 N ATOM 1004 CA PHE A 63 4.387 10.725 -2.625 1.00 10.00 C ATOM 1005 C PHE A 63 4.926 9.575 -1.744 1.00 10.00 C ATOM 1006 O PHE A 63 4.162 8.684 -1.380 1.00 10.00 O ATOM 1007 CB PHE A 63 5.259 10.824 -3.870 1.00 10.00 C ATOM 1008 CG PHE A 63 4.559 10.425 -5.133 1.00 10.00 C ATOM 1009 CD1 PHE A 63 3.596 9.432 -5.118 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.875 11.032 -6.336 1.00 10.00 C ATOM 1011 CE1 PHE A 63 2.959 9.052 -6.278 1.00 10.00 C ATOM 1012 CE2 PHE A 63 4.242 10.654 -7.503 1.00 10.00 C ATOM 1013 CZ PHE A 63 3.282 9.664 -7.474 1.00 10.00 C ATOM 0 H PHE A 63 4.472 12.823 -2.576 1.00 10.00 H new ATOM 0 HA PHE A 63 3.358 10.463 -2.873 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.615 11.849 -3.972 1.00 10.00 H new ATOM 0 HB3 PHE A 63 6.138 10.193 -3.738 1.00 10.00 H new ATOM 0 HD1 PHE A 63 3.341 8.949 -4.186 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.624 11.809 -6.362 1.00 10.00 H new ATOM 0 HE1 PHE A 63 2.208 8.276 -6.253 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.498 11.132 -8.437 1.00 10.00 H new ATOM 0 HZ PHE A 63 2.783 9.368 -8.385 1.00 10.00 H new ATOM 1023 N LYS A 64 6.231 9.579 -1.400 1.00 10.00 N ATOM 1024 CA LYS A 64 6.811 8.457 -0.634 1.00 10.00 C ATOM 1025 C LYS A 64 8.271 8.696 -0.237 1.00 10.00 C ATOM 1026 O LYS A 64 8.638 9.795 0.168 1.00 10.00 O ATOM 1027 CB LYS A 64 6.722 7.187 -1.484 1.00 10.00 C ATOM 1028 CG LYS A 64 7.394 7.328 -2.840 1.00 10.00 C ATOM 1029 CD LYS A 64 7.378 6.031 -3.614 1.00 10.00 C ATOM 1030 CE LYS A 64 6.744 6.217 -4.980 1.00 10.00 C ATOM 1031 NZ LYS A 64 6.580 4.919 -5.687 1.00 10.00 N ATOM 0 H LYS A 64 6.887 10.325 -1.633 1.00 10.00 H new ATOM 0 HA LYS A 64 6.241 8.360 0.290 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.182 6.361 -0.941 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.673 6.928 -1.630 1.00 10.00 H new ATOM 0 HG2 LYS A 64 6.888 8.102 -3.417 1.00 10.00 H new ATOM 0 HG3 LYS A 64 8.424 7.656 -2.702 1.00 10.00 H new ATOM 0 HD2 LYS A 64 8.397 5.661 -3.730 1.00 10.00 H new ATOM 0 HD3 LYS A 64 6.826 5.276 -3.053 1.00 10.00 H new ATOM 0 HE2 LYS A 64 5.772 6.697 -4.869 1.00 10.00 H new ATOM 0 HE3 LYS A 64 7.362 6.884 -5.581 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 6.144 5.083 -6.617 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 7.511 4.473 -5.815 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 5.970 4.292 -5.124 1.00 10.00 H new ATOM 1045 N ARG A 65 9.086 7.637 -0.366 1.00 10.00 N ATOM 1046 CA ARG A 65 10.512 7.647 -0.021 1.00 10.00 C ATOM 1047 C ARG A 65 11.309 8.703 -0.779 1.00 10.00 C ATOM 1048 O ARG A 65 12.410 9.058 -0.369 1.00 10.00 O ATOM 1049 CB ARG A 65 11.117 6.257 -0.266 1.00 10.00 C ATOM 1050 CG ARG A 65 10.833 5.681 -1.651 1.00 10.00 C ATOM 1051 CD ARG A 65 10.889 4.156 -1.646 1.00 10.00 C ATOM 1052 NE ARG A 65 12.015 3.622 -2.422 1.00 10.00 N ATOM 1053 CZ ARG A 65 12.564 2.417 -2.211 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.097 1.630 -1.242 1.00 10.00 N ATOM 1055 NH2 ARG A 65 13.573 2.003 -2.976 1.00 10.00 N ATOM 0 H ARG A 65 8.765 6.736 -0.719 1.00 10.00 H new ATOM 0 HA ARG A 65 10.577 7.907 1.036 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.196 6.314 -0.124 1.00 10.00 H new ATOM 0 HB3 ARG A 65 10.732 5.569 0.486 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.849 6.009 -1.988 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.560 6.070 -2.364 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.964 3.804 -0.617 1.00 10.00 H new ATOM 0 HD3 ARG A 65 9.957 3.762 -2.050 1.00 10.00 H new ATOM 0 HE ARG A 65 12.403 4.202 -3.166 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.321 1.944 -0.660 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.516 0.714 -1.083 1.00 10.00 H new ATOM 0 HH21 ARG A 65 13.927 2.602 -3.721 1.00 10.00 H new ATOM 0 HH22 ARG A 65 13.991 1.087 -2.816 1.00 10.00 H new ATOM 1069 N GLU A 66 10.753 9.213 -1.870 1.00 10.00 N ATOM 1070 CA GLU A 66 11.421 10.244 -2.658 1.00 10.00 C ATOM 1071 C GLU A 66 11.286 11.594 -1.954 1.00 10.00 C ATOM 1072 O GLU A 66 11.647 12.637 -2.494 1.00 10.00 O ATOM 1073 CB GLU A 66 10.871 10.305 -4.098 1.00 10.00 C ATOM 1074 CG GLU A 66 11.435 9.227 -5.010 1.00 10.00 C ATOM 1075 CD GLU A 66 10.673 9.108 -6.315 1.00 10.00 C ATOM 1076 OE1 GLU A 66 10.888 9.946 -7.216 1.00 10.00 O ATOM 1077 OE2 GLU A 66 9.847 8.179 -6.440 1.00 10.00 O ATOM 0 H GLU A 66 9.842 8.931 -2.231 1.00 10.00 H new ATOM 0 HA GLU A 66 12.478 9.991 -2.737 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.785 10.212 -4.068 1.00 10.00 H new ATOM 0 HB3 GLU A 66 11.096 11.283 -4.523 1.00 10.00 H new ATOM 0 HG2 GLU A 66 12.481 9.448 -5.223 1.00 10.00 H new ATOM 0 HG3 GLU A 66 11.411 8.269 -4.491 1.00 10.00 H new ATOM 1084 N SER A 67 10.726 11.549 -0.742 1.00 10.00 N ATOM 1085 CA SER A 67 10.521 12.733 0.075 1.00 10.00 C ATOM 1086 C SER A 67 11.854 13.352 0.544 1.00 10.00 C ATOM 1087 O SER A 67 12.618 13.882 -0.261 1.00 10.00 O ATOM 1088 CB SER A 67 9.622 12.364 1.267 1.00 10.00 C ATOM 1089 OG SER A 67 9.575 13.389 2.250 1.00 10.00 O ATOM 0 H SER A 67 10.404 10.686 -0.305 1.00 10.00 H new ATOM 0 HA SER A 67 10.030 13.496 -0.529 1.00 10.00 H new ATOM 0 HB2 SER A 67 8.613 12.162 0.908 1.00 10.00 H new ATOM 0 HB3 SER A 67 9.988 11.444 1.723 1.00 10.00 H new ATOM 0 HG SER A 67 9.507 12.985 3.140 1.00 10.00 H new ATOM 1095 N ASN A 68 12.113 13.305 1.846 1.00 10.00 N ATOM 1096 CA ASN A 68 13.324 13.886 2.413 1.00 10.00 C ATOM 1097 C ASN A 68 14.372 12.827 2.718 1.00 10.00 C ATOM 1098 O ASN A 68 15.398 12.745 2.046 1.00 10.00 O ATOM 1099 CB ASN A 68 12.987 14.650 3.697 1.00 10.00 C ATOM 1100 CG ASN A 68 13.509 16.075 3.694 1.00 10.00 C ATOM 1101 OD1 ASN A 68 13.504 16.752 2.666 1.00 10.00 O ATOM 1102 ND2 ASN A 68 13.962 16.540 4.848 1.00 10.00 N ATOM 0 H ASN A 68 11.497 12.868 2.532 1.00 10.00 H new ATOM 0 HA ASN A 68 13.737 14.568 1.670 1.00 10.00 H new ATOM 0 HB2 ASN A 68 11.905 14.666 3.831 1.00 10.00 H new ATOM 0 HB3 ASN A 68 13.406 14.117 4.551 1.00 10.00 H new ATOM 0 HD21 ASN A 68 14.324 17.492 4.908 1.00 10.00 H new ATOM 0 HD22 ASN A 68 13.949 15.947 5.677 1.00 10.00 H new ATOM 1109 N ASN A 69 14.116 12.023 3.744 1.00 10.00 N ATOM 1110 CA ASN A 69 15.068 10.995 4.145 1.00 10.00 C ATOM 1111 C ASN A 69 14.747 9.626 3.532 1.00 10.00 C ATOM 1112 O ASN A 69 15.492 9.139 2.682 1.00 10.00 O ATOM 1113 CB ASN A 69 15.170 10.903 5.688 1.00 10.00 C ATOM 1114 CG ASN A 69 13.959 10.267 6.356 1.00 10.00 C ATOM 1115 OD1 ASN A 69 12.866 10.828 6.351 1.00 10.00 O ATOM 1116 ND2 ASN A 69 14.145 9.081 6.921 1.00 10.00 N ATOM 0 H ASN A 69 13.267 12.062 4.308 1.00 10.00 H new ATOM 0 HA ASN A 69 16.040 11.296 3.753 1.00 10.00 H new ATOM 0 HB2 ASN A 69 16.059 10.328 5.949 1.00 10.00 H new ATOM 0 HB3 ASN A 69 15.309 11.906 6.092 1.00 10.00 H new ATOM 0 HD21 ASN A 69 13.365 8.603 7.372 1.00 10.00 H new ATOM 0 HD22 ASN A 69 15.068 8.647 6.904 1.00 10.00 H new ATOM 1123 N LYS A 70 13.650 9.005 3.950 1.00 10.00 N ATOM 1124 CA LYS A 70 13.308 7.682 3.459 1.00 10.00 C ATOM 1125 C LYS A 70 11.802 7.449 3.356 1.00 10.00 C ATOM 1126 O LYS A 70 11.375 6.430 2.821 1.00 10.00 O ATOM 1127 CB LYS A 70 13.936 6.631 4.381 1.00 10.00 C ATOM 1128 CG LYS A 70 15.311 6.156 3.926 1.00 10.00 C ATOM 1129 CD LYS A 70 15.235 5.329 2.650 1.00 10.00 C ATOM 1130 CE LYS A 70 16.611 5.125 2.028 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.180 6.400 1.508 1.00 10.00 N ATOM 0 H LYS A 70 12.989 9.395 4.622 1.00 10.00 H new ATOM 0 HA LYS A 70 13.703 7.597 2.447 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.019 7.046 5.386 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.268 5.772 4.445 1.00 10.00 H new ATOM 0 HG2 LYS A 70 15.956 7.019 3.761 1.00 10.00 H new ATOM 0 HG3 LYS A 70 15.769 5.562 4.717 1.00 10.00 H new ATOM 0 HD2 LYS A 70 14.788 4.360 2.871 1.00 10.00 H new ATOM 0 HD3 LYS A 70 14.581 5.826 1.933 1.00 10.00 H new ATOM 0 HE2 LYS A 70 17.287 4.703 2.772 1.00 10.00 H new ATOM 0 HE3 LYS A 70 16.539 4.402 1.216 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 17.948 6.190 0.838 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 16.435 6.940 1.023 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 17.555 6.961 2.299 1.00 10.00 H new ATOM 1145 N LEU A 71 10.992 8.378 3.851 1.00 10.00 N ATOM 1146 CA LEU A 71 9.544 8.201 3.801 1.00 10.00 C ATOM 1147 C LEU A 71 8.814 9.523 3.612 1.00 10.00 C ATOM 1148 O LEU A 71 9.443 10.564 3.470 1.00 10.00 O ATOM 1149 CB LEU A 71 9.052 7.505 5.069 1.00 10.00 C ATOM 1150 CG LEU A 71 8.069 6.350 4.852 1.00 10.00 C ATOM 1151 CD1 LEU A 71 6.838 6.537 5.722 1.00 10.00 C ATOM 1152 CD2 LEU A 71 7.679 6.223 3.382 1.00 10.00 C ATOM 0 H LEU A 71 11.305 9.247 4.284 1.00 10.00 H new ATOM 0 HA LEU A 71 9.321 7.576 2.936 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.917 7.125 5.612 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.576 8.248 5.708 1.00 10.00 H new ATOM 0 HG LEU A 71 8.564 5.424 5.142 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.148 5.710 5.558 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.134 6.561 6.771 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.348 7.475 5.462 1.00 10.00 H new ATOM 0 HD21 LEU A 71 6.981 5.395 3.261 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.206 7.147 3.050 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.571 6.036 2.784 1.00 10.00 H new ATOM 1164 N LEU A 72 7.477 9.460 3.634 1.00 10.00 N ATOM 1165 CA LEU A 72 6.629 10.631 3.420 1.00 10.00 C ATOM 1166 C LEU A 72 6.734 11.656 4.532 1.00 10.00 C ATOM 1167 O LEU A 72 7.475 11.495 5.501 1.00 10.00 O ATOM 1168 CB LEU A 72 5.148 10.254 3.307 1.00 10.00 C ATOM 1169 CG LEU A 72 4.827 8.807 2.932 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.243 8.065 4.117 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.852 8.756 1.769 1.00 10.00 C ATOM 0 H LEU A 72 6.958 8.598 3.800 1.00 10.00 H new ATOM 0 HA LEU A 72 6.996 11.060 2.488 1.00 10.00 H new ATOM 0 HB2 LEU A 72 4.669 10.471 4.262 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.688 10.906 2.565 1.00 10.00 H new ATOM 0 HG LEU A 72 5.758 8.325 2.634 1.00 10.00 H new ATOM 0 HD11 LEU A 72 4.021 7.037 3.829 1.00 10.00 H new ATOM 0 HD12 LEU A 72 4.961 8.066 4.937 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.325 8.558 4.438 1.00 10.00 H new ATOM 0 HD21 LEU A 72 3.638 7.717 1.519 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.927 9.260 2.048 1.00 10.00 H new ATOM 0 HD23 LEU A 72 4.291 9.254 0.904 1.00 10.00 H new ATOM 1183 N LYS A 73 5.945 12.708 4.363 1.00 10.00 N ATOM 1184 CA LYS A 73 5.872 13.788 5.319 1.00 10.00 C ATOM 1185 C LYS A 73 4.948 13.366 6.443 1.00 10.00 C ATOM 1186 O LYS A 73 3.795 13.017 6.203 1.00 10.00 O ATOM 1187 CB LYS A 73 5.324 15.085 4.690 1.00 10.00 C ATOM 1188 CG LYS A 73 5.998 15.538 3.397 1.00 10.00 C ATOM 1189 CD LYS A 73 5.616 14.674 2.216 1.00 10.00 C ATOM 1190 CE LYS A 73 6.786 13.828 1.763 1.00 10.00 C ATOM 1191 NZ LYS A 73 6.372 12.719 0.867 1.00 10.00 N ATOM 0 H LYS A 73 5.337 12.831 3.553 1.00 10.00 H new ATOM 0 HA LYS A 73 6.880 13.992 5.680 1.00 10.00 H new ATOM 0 HB2 LYS A 73 4.260 14.949 4.494 1.00 10.00 H new ATOM 0 HB3 LYS A 73 5.413 15.887 5.423 1.00 10.00 H new ATOM 0 HG2 LYS A 73 5.724 16.573 3.191 1.00 10.00 H new ATOM 0 HG3 LYS A 73 7.080 15.514 3.527 1.00 10.00 H new ATOM 0 HD2 LYS A 73 4.780 14.029 2.488 1.00 10.00 H new ATOM 0 HD3 LYS A 73 5.278 15.305 1.393 1.00 10.00 H new ATOM 0 HE2 LYS A 73 7.508 14.459 1.245 1.00 10.00 H new ATOM 0 HE3 LYS A 73 7.292 13.416 2.636 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 7.111 11.988 0.856 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 5.482 12.307 1.213 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 6.232 13.085 -0.096 1.00 10.00 H new ATOM 1205 N GLU A 74 5.473 13.345 7.644 1.00 10.00 N ATOM 1206 CA GLU A 74 4.700 12.978 8.822 1.00 10.00 C ATOM 1207 C GLU A 74 3.437 13.829 8.946 1.00 10.00 C ATOM 1208 O GLU A 74 2.425 13.394 9.483 1.00 10.00 O ATOM 1209 CB GLU A 74 5.567 13.148 10.062 1.00 10.00 C ATOM 1210 CG GLU A 74 4.815 12.942 11.356 1.00 10.00 C ATOM 1211 CD GLU A 74 5.719 12.485 12.475 1.00 10.00 C ATOM 1212 OE1 GLU A 74 6.360 11.425 12.327 1.00 10.00 O ATOM 1213 OE2 GLU A 74 5.803 13.189 13.498 1.00 10.00 O ATOM 0 H GLU A 74 6.446 13.580 7.840 1.00 10.00 H new ATOM 0 HA GLU A 74 4.391 11.937 8.724 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.396 12.441 10.016 1.00 10.00 H new ATOM 0 HB3 GLU A 74 6.001 14.148 10.058 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.327 13.874 11.643 1.00 10.00 H new ATOM 0 HG3 GLU A 74 4.028 12.204 11.203 1.00 10.00 H new ATOM 1220 N ASN A 75 3.514 15.047 8.457 1.00 10.00 N ATOM 1221 CA ASN A 75 2.380 15.960 8.503 1.00 10.00 C ATOM 1222 C ASN A 75 1.577 15.933 7.213 1.00 10.00 C ATOM 1223 O ASN A 75 0.826 16.863 6.914 1.00 10.00 O ATOM 1224 CB ASN A 75 2.866 17.371 8.754 1.00 10.00 C ATOM 1225 CG ASN A 75 2.671 17.796 10.191 1.00 10.00 C ATOM 1226 OD1 ASN A 75 2.345 18.946 10.475 1.00 10.00 O ATOM 1227 ND2 ASN A 75 2.865 16.863 11.110 1.00 10.00 N ATOM 0 H ASN A 75 4.350 15.434 8.020 1.00 10.00 H new ATOM 0 HA ASN A 75 1.731 15.633 9.315 1.00 10.00 H new ATOM 0 HB2 ASN A 75 3.923 17.440 8.497 1.00 10.00 H new ATOM 0 HB3 ASN A 75 2.333 18.059 8.098 1.00 10.00 H new ATOM 0 HD21 ASN A 75 2.744 17.087 12.098 1.00 10.00 H new ATOM 0 HD22 ASN A 75 3.135 15.920 10.830 1.00 10.00 H new ATOM 1234 N ALA A 76 1.736 14.874 6.455 1.00 10.00 N ATOM 1235 CA ALA A 76 1.025 14.733 5.192 1.00 10.00 C ATOM 1236 C ALA A 76 0.171 13.479 5.157 1.00 10.00 C ATOM 1237 O ALA A 76 0.650 12.368 5.377 1.00 10.00 O ATOM 1238 CB ALA A 76 1.997 14.729 4.028 1.00 10.00 C ATOM 0 H ALA A 76 2.350 14.093 6.685 1.00 10.00 H new ATOM 0 HA ALA A 76 0.360 15.592 5.102 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.446 14.623 3.094 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.554 15.666 4.016 1.00 10.00 H new ATOM 0 HB3 ALA A 76 2.691 13.896 4.136 1.00 10.00 H new ATOM 1244 N VAL A 77 -1.091 13.678 4.832 1.00 10.00 N ATOM 1245 CA VAL A 77 -2.051 12.597 4.748 1.00 10.00 C ATOM 1246 C VAL A 77 -2.958 12.806 3.531 1.00 10.00 C ATOM 1247 O VAL A 77 -3.306 13.941 3.202 1.00 10.00 O ATOM 1248 CB VAL A 77 -2.869 12.487 6.069 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -3.187 13.852 6.653 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -4.148 11.686 5.883 1.00 10.00 C ATOM 0 H VAL A 77 -1.480 14.596 4.618 1.00 10.00 H new ATOM 0 HA VAL A 77 -1.523 11.652 4.618 1.00 10.00 H new ATOM 0 HB VAL A 77 -2.235 11.952 6.776 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -3.758 13.730 7.573 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -2.259 14.380 6.870 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -3.773 14.427 5.936 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -4.686 11.635 6.829 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -4.775 12.170 5.134 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -3.901 10.677 5.552 1.00 10.00 H new ATOM 1260 N PRO A 78 -3.292 11.712 2.818 1.00 10.00 N ATOM 1261 CA PRO A 78 -4.141 11.731 1.616 1.00 10.00 C ATOM 1262 C PRO A 78 -5.450 12.484 1.822 1.00 10.00 C ATOM 1263 O PRO A 78 -6.320 12.051 2.575 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.428 10.244 1.344 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.964 9.520 2.553 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.860 10.353 3.124 1.00 10.00 C ATOM 0 HA PRO A 78 -3.644 12.246 0.794 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.491 10.075 1.170 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.901 9.899 0.454 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.774 9.398 3.272 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.610 8.521 2.299 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -2.748 10.196 4.197 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.899 10.121 2.665 1.00 10.00 H new ATOM 1274 N THR A 79 -5.579 13.610 1.143 1.00 10.00 N ATOM 1275 CA THR A 79 -6.771 14.433 1.238 1.00 10.00 C ATOM 1276 C THR A 79 -7.544 14.408 -0.075 1.00 10.00 C ATOM 1277 O THR A 79 -8.720 14.767 -0.140 1.00 10.00 O ATOM 1278 CB THR A 79 -6.395 15.885 1.568 1.00 10.00 C ATOM 1279 OG1 THR A 79 -5.608 16.439 0.505 1.00 10.00 O ATOM 1280 CG2 THR A 79 -5.604 15.958 2.861 1.00 10.00 C ATOM 0 H THR A 79 -4.865 13.978 0.514 1.00 10.00 H new ATOM 0 HA THR A 79 -7.396 14.028 2.034 1.00 10.00 H new ATOM 0 HB THR A 79 -7.316 16.456 1.684 1.00 10.00 H new ATOM 0 HG1 THR A 79 -5.373 17.366 0.721 1.00 10.00 H new ATOM 0 HG21 THR A 79 -5.349 16.996 3.074 1.00 10.00 H new ATOM 0 HG22 THR A 79 -6.204 15.557 3.678 1.00 10.00 H new ATOM 0 HG23 THR A 79 -4.690 15.373 2.762 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.858 13.960 -1.112 1.00 10.00 N ATOM 1289 CA ILE A 80 -7.417 13.885 -2.457 1.00 10.00 C ATOM 1290 C ILE A 80 -8.297 12.643 -2.630 1.00 10.00 C ATOM 1291 O ILE A 80 -8.715 12.321 -3.741 1.00 10.00 O ATOM 1292 CB ILE A 80 -6.308 13.873 -3.529 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -5.054 14.629 -3.041 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.831 14.455 -4.837 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.979 16.083 -3.459 1.00 10.00 C ATOM 0 H ILE A 80 -5.893 13.636 -1.048 1.00 10.00 H new ATOM 0 HA ILE A 80 -8.030 14.776 -2.590 1.00 10.00 H new ATOM 0 HB ILE A 80 -6.014 12.839 -3.709 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -5.018 14.577 -1.953 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -4.169 14.113 -3.414 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -6.038 14.440 -5.585 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.673 13.859 -5.189 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -7.157 15.482 -4.674 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -4.063 16.527 -3.068 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.979 16.149 -4.547 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.841 16.620 -3.063 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.533 11.929 -1.527 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.345 10.707 -1.523 1.00 10.00 C ATOM 1309 C PHE A 81 -10.614 10.833 -2.363 1.00 10.00 C ATOM 1310 O PHE A 81 -11.020 9.868 -3.006 1.00 10.00 O ATOM 1311 CB PHE A 81 -9.718 10.319 -0.089 1.00 10.00 C ATOM 1312 CG PHE A 81 -8.720 9.425 0.611 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -7.711 8.773 -0.088 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -8.803 9.230 1.978 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -6.813 7.955 0.563 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -7.902 8.410 2.634 1.00 10.00 C ATOM 1317 CZ PHE A 81 -6.906 7.772 1.925 1.00 10.00 C ATOM 0 H PHE A 81 -8.166 12.181 -0.609 1.00 10.00 H new ATOM 0 HA PHE A 81 -8.731 9.927 -1.974 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -9.841 11.230 0.497 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -10.685 9.816 -0.104 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.630 8.909 -1.156 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -9.581 9.724 2.541 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -6.035 7.456 0.004 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -7.979 8.270 3.702 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.202 7.132 2.435 1.00 10.00 H new ATOM 1327 N LEU A 82 -11.231 12.008 -2.357 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.446 12.233 -3.127 1.00 10.00 C ATOM 1329 C LEU A 82 -12.717 13.729 -3.277 1.00 10.00 C ATOM 1330 O LEU A 82 -12.008 14.559 -2.710 1.00 10.00 O ATOM 1331 CB LEU A 82 -13.644 11.542 -2.454 1.00 10.00 C ATOM 1332 CG LEU A 82 -14.329 10.402 -3.244 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.807 10.708 -3.445 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -13.648 10.143 -4.590 1.00 10.00 C ATOM 0 H LEU A 82 -10.910 12.819 -1.828 1.00 10.00 H new ATOM 0 HA LEU A 82 -12.307 11.804 -4.119 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.310 11.139 -1.498 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -14.395 12.301 -2.235 1.00 10.00 H new ATOM 0 HG LEU A 82 -14.231 9.492 -2.651 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -16.274 9.896 -4.002 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -16.293 10.808 -2.475 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -15.913 11.639 -4.002 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -14.163 9.335 -5.109 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -13.687 11.047 -5.197 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -12.608 9.862 -4.424 1.00 10.00 H new