USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=30 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 43 LYS NZ :NH3+ 146:sc= 1.31 (180deg=0) USER MOD Set 1.2: A 44 ASN : amide:sc= -0.739 K(o=0.57,f=-13!) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 23 HIS :FLIP no HE2:sc= -6.61! C(o=-9.1!,f=-6.6!) USER MOD Set 3.1: A 5 CYS SG : rot -152:sc= 2.59! USER MOD Set 3.2: A 10 CYS SG : rot -102:sc= -3.65! USER MOD Set 3.3: A 12 ASN : amide:sc= 0.932 K(o=-3.1,f=-5.7) USER MOD Set 3.4: A 18 LYS NZ :NH3+ -175:sc= 0.211 (180deg=0.173) USER MOD Set 3.5: A 54 CYS SG : rot -82:sc= -2.46! USER MOD Set 3.6: A 57 HIS : no HD1:sc= -0.735 K(o=-3.1,f=-13!) USER MOD Single : A 6 SER OG : rot -45:sc=0.000382 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+ -165:sc= -0.0528 (180deg=-0.313) USER MOD Single : A 24 LYS NZ :NH3+ 161:sc= -0.0164 (180deg=-0.135) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0452 USER MOD Single : A 33 CYS SG : rot 1:sc= -2.2! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= -0.154 (180deg=-0.519) USER MOD Single : A 48 THR OG1 : rot -160:sc= -0.061 USER MOD Single : A 49 LYS NZ :NH3+ -119:sc= 1.2 (180deg=-0.299) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -10:sc= -3.05! USER MOD Single : A 52 SER OG : rot 180:sc= 0.02 USER MOD Single : A 55 SER OG : rot 119:sc= -1.91! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0688 USER MOD Single : A 62 SER OG : rot -150:sc= -2.42 USER MOD Single : A 64 LYS NZ :NH3+ -125:sc= 1.05 (180deg=-0.885) USER MOD Single : A 67 SER OG : rot -133:sc= -2! USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 69 ASN : amide:sc= -1.31! C(o=-1.3!,f=-8.4!) USER MOD Single : A 70 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.104) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc=-0.000382 (180deg=-0.247) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.117 F(o=-1.1,f=-0.12) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 64 N CYS A 5 -8.174 1.151 -3.858 1.00 10.00 N ATOM 65 CA CYS A 5 -7.368 1.866 -2.871 1.00 10.00 C ATOM 66 C CYS A 5 -8.123 1.989 -1.541 1.00 10.00 C ATOM 67 O CYS A 5 -9.237 1.484 -1.403 1.00 10.00 O ATOM 68 CB CYS A 5 -7.024 3.265 -3.392 1.00 10.00 C ATOM 69 SG CYS A 5 -7.760 3.654 -4.994 1.00 10.00 S ATOM 0 HA CYS A 5 -6.451 1.301 -2.704 1.00 10.00 H new ATOM 0 HB2 CYS A 5 -7.355 4.004 -2.663 1.00 10.00 H new ATOM 0 HB3 CYS A 5 -5.941 3.356 -3.470 1.00 10.00 H new ATOM 0 HG CYS A 5 -7.011 4.514 -5.618 1.00 10.00 H new ATOM 74 N SER A 6 -7.514 2.670 -0.575 1.00 10.00 N ATOM 75 CA SER A 6 -8.112 2.837 0.749 1.00 10.00 C ATOM 76 C SER A 6 -9.173 3.941 0.769 1.00 10.00 C ATOM 77 O SER A 6 -9.854 4.138 1.773 1.00 10.00 O ATOM 78 CB SER A 6 -7.018 3.144 1.779 1.00 10.00 C ATOM 79 OG SER A 6 -7.407 2.758 3.087 1.00 10.00 O ATOM 0 H SER A 6 -6.604 3.117 -0.683 1.00 10.00 H new ATOM 0 HA SER A 6 -8.610 1.902 1.005 1.00 10.00 H new ATOM 0 HB2 SER A 6 -6.101 2.623 1.503 1.00 10.00 H new ATOM 0 HB3 SER A 6 -6.794 4.211 1.766 1.00 10.00 H new ATOM 0 HG SER A 6 -8.327 3.051 3.255 1.00 10.00 H new ATOM 85 N ALA A 7 -9.325 4.658 -0.337 1.00 10.00 N ATOM 86 CA ALA A 7 -10.307 5.734 -0.404 1.00 10.00 C ATOM 87 C ALA A 7 -11.702 5.166 -0.616 1.00 10.00 C ATOM 88 O ALA A 7 -11.858 3.996 -0.950 1.00 10.00 O ATOM 89 CB ALA A 7 -9.956 6.706 -1.516 1.00 10.00 C ATOM 0 H ALA A 7 -8.787 4.517 -1.192 1.00 10.00 H new ATOM 0 HA ALA A 7 -10.293 6.274 0.543 1.00 10.00 H new ATOM 0 HB1 ALA A 7 -10.700 7.502 -1.551 1.00 10.00 H new ATOM 0 HB2 ALA A 7 -8.973 7.136 -1.326 1.00 10.00 H new ATOM 0 HB3 ALA A 7 -9.944 6.179 -2.470 1.00 10.00 H new ATOM 95 N TYR A 8 -12.710 6.007 -0.477 1.00 10.00 N ATOM 96 CA TYR A 8 -14.086 5.578 -0.628 1.00 10.00 C ATOM 97 C TYR A 8 -14.651 6.057 -1.966 1.00 10.00 C ATOM 98 O TYR A 8 -14.892 7.238 -2.174 1.00 10.00 O ATOM 99 CB TYR A 8 -14.940 6.095 0.537 1.00 10.00 C ATOM 100 CG TYR A 8 -14.840 7.583 0.783 1.00 10.00 C ATOM 101 CD1 TYR A 8 -13.872 8.109 1.626 1.00 10.00 C ATOM 102 CD2 TYR A 8 -15.723 8.460 0.174 1.00 10.00 C ATOM 103 CE1 TYR A 8 -13.786 9.469 1.851 1.00 10.00 C ATOM 104 CE2 TYR A 8 -15.647 9.817 0.390 1.00 10.00 C ATOM 105 CZ TYR A 8 -14.676 10.320 1.230 1.00 10.00 C ATOM 106 OH TYR A 8 -14.602 11.676 1.453 1.00 10.00 O ATOM 0 H TYR A 8 -12.599 6.997 -0.258 1.00 10.00 H new ATOM 0 HA TYR A 8 -14.113 4.488 -0.615 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -15.983 5.842 0.345 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -14.646 5.570 1.446 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -13.175 7.444 2.114 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -16.486 8.071 -0.483 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -13.026 9.864 2.509 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -16.344 10.484 -0.096 1.00 10.00 H new ATOM 0 HH TYR A 8 -15.301 12.131 0.938 1.00 10.00 H new ATOM 116 N GLY A 9 -14.796 5.134 -2.886 1.00 10.00 N ATOM 117 CA GLY A 9 -15.355 5.462 -4.185 1.00 10.00 C ATOM 118 C GLY A 9 -14.333 5.399 -5.299 1.00 10.00 C ATOM 119 O GLY A 9 -14.682 5.206 -6.464 1.00 10.00 O ATOM 0 H GLY A 9 -14.538 4.155 -2.766 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -16.171 4.774 -4.408 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -15.783 6.464 -4.148 1.00 10.00 H new ATOM 123 N CYS A 10 -13.067 5.565 -4.937 1.00 10.00 N ATOM 124 CA CYS A 10 -11.971 5.548 -5.892 1.00 10.00 C ATOM 125 C CYS A 10 -11.713 4.162 -6.484 1.00 10.00 C ATOM 126 O CYS A 10 -10.744 3.495 -6.123 1.00 10.00 O ATOM 127 CB CYS A 10 -10.683 6.071 -5.255 1.00 10.00 C ATOM 128 SG CYS A 10 -9.310 6.228 -6.417 1.00 10.00 S ATOM 0 H CYS A 10 -12.773 5.715 -3.972 1.00 10.00 H new ATOM 0 HA CYS A 10 -12.276 6.204 -6.707 1.00 10.00 H new ATOM 0 HB2 CYS A 10 -10.880 7.044 -4.805 1.00 10.00 H new ATOM 0 HB3 CYS A 10 -10.389 5.400 -4.448 1.00 10.00 H new ATOM 0 HG CYS A 10 -8.492 5.230 -6.260 1.00 10.00 H new ATOM 133 N LYS A 11 -12.588 3.715 -7.370 1.00 10.00 N ATOM 134 CA LYS A 11 -12.392 2.433 -8.034 1.00 10.00 C ATOM 135 C LYS A 11 -11.476 2.642 -9.238 1.00 10.00 C ATOM 136 O LYS A 11 -11.655 2.043 -10.300 1.00 10.00 O ATOM 137 CB LYS A 11 -13.728 1.814 -8.462 1.00 10.00 C ATOM 138 CG LYS A 11 -14.172 0.673 -7.555 1.00 10.00 C ATOM 139 CD LYS A 11 -15.215 -0.216 -8.216 1.00 10.00 C ATOM 140 CE LYS A 11 -15.528 -1.433 -7.353 1.00 10.00 C ATOM 141 NZ LYS A 11 -16.442 -2.388 -8.034 1.00 10.00 N ATOM 0 H LYS A 11 -13.434 4.214 -7.645 1.00 10.00 H new ATOM 0 HA LYS A 11 -11.929 1.734 -7.337 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -14.496 2.588 -8.466 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -13.641 1.446 -9.484 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -13.306 0.071 -7.281 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -14.580 1.083 -6.631 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -16.127 0.355 -8.388 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -14.854 -0.542 -9.191 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -14.599 -1.943 -7.097 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -15.980 -1.105 -6.417 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -16.626 -3.199 -7.409 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -17.339 -1.911 -8.256 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -16.001 -2.723 -8.914 1.00 10.00 H new ATOM 155 N ASN A 12 -10.472 3.489 -9.028 1.00 10.00 N ATOM 156 CA ASN A 12 -9.485 3.848 -10.043 1.00 10.00 C ATOM 157 C ASN A 12 -8.442 2.762 -10.182 1.00 10.00 C ATOM 158 O ASN A 12 -7.237 3.019 -10.131 1.00 10.00 O ATOM 159 CB ASN A 12 -8.809 5.151 -9.659 1.00 10.00 C ATOM 160 CG ASN A 12 -9.737 6.355 -9.775 1.00 10.00 C ATOM 161 OD1 ASN A 12 -10.917 6.224 -10.094 1.00 10.00 O ATOM 162 ND2 ASN A 12 -9.212 7.540 -9.514 1.00 10.00 N ATOM 0 H ASN A 12 -10.319 3.953 -8.133 1.00 10.00 H new ATOM 0 HA ASN A 12 -9.998 3.965 -10.998 1.00 10.00 H new ATOM 0 HB2 ASN A 12 -8.443 5.077 -8.635 1.00 10.00 H new ATOM 0 HB3 ASN A 12 -7.939 5.306 -10.297 1.00 10.00 H new ATOM 0 HD21 ASN A 12 -9.790 8.378 -9.575 1.00 10.00 H new ATOM 0 HD22 ASN A 12 -8.229 7.616 -9.252 1.00 10.00 H new ATOM 169 N ARG A 13 -8.949 1.557 -10.286 1.00 10.00 N ATOM 170 CA ARG A 13 -8.163 0.340 -10.465 1.00 10.00 C ATOM 171 C ARG A 13 -6.977 0.581 -11.405 1.00 10.00 C ATOM 172 O ARG A 13 -7.135 1.241 -12.432 1.00 10.00 O ATOM 173 CB ARG A 13 -9.084 -0.737 -11.047 1.00 10.00 C ATOM 174 CG ARG A 13 -8.868 -2.132 -10.495 1.00 10.00 C ATOM 175 CD ARG A 13 -7.523 -2.693 -10.917 1.00 10.00 C ATOM 176 NE ARG A 13 -7.632 -3.523 -12.116 1.00 10.00 N ATOM 177 CZ ARG A 13 -8.169 -4.744 -12.133 1.00 10.00 C ATOM 178 NH1 ARG A 13 -8.504 -5.343 -10.996 1.00 10.00 N ATOM 179 NH2 ARG A 13 -8.336 -5.380 -13.287 1.00 10.00 N ATOM 0 H ARG A 13 -9.953 1.381 -10.248 1.00 10.00 H new ATOM 0 HA ARG A 13 -7.759 0.022 -9.504 1.00 10.00 H new ATOM 0 HB2 ARG A 13 -10.119 -0.446 -10.864 1.00 10.00 H new ATOM 0 HB3 ARG A 13 -8.947 -0.765 -12.128 1.00 10.00 H new ATOM 0 HG2 ARG A 13 -8.928 -2.108 -9.407 1.00 10.00 H new ATOM 0 HG3 ARG A 13 -9.664 -2.790 -10.844 1.00 10.00 H new ATOM 0 HD2 ARG A 13 -6.830 -1.873 -11.105 1.00 10.00 H new ATOM 0 HD3 ARG A 13 -7.104 -3.284 -10.103 1.00 10.00 H new ATOM 0 HE ARG A 13 -7.275 -3.145 -12.994 1.00 10.00 H new ATOM 0 HH11 ARG A 13 -8.351 -4.869 -10.106 1.00 10.00 H new ATOM 0 HH12 ARG A 13 -8.914 -6.277 -11.013 1.00 10.00 H new ATOM 0 HH21 ARG A 13 -8.054 -4.935 -14.160 1.00 10.00 H new ATOM 0 HH22 ARG A 13 -8.747 -6.314 -13.300 1.00 10.00 H new ATOM 193 N TYR A 14 -5.805 0.055 -11.021 1.00 10.00 N ATOM 194 CA TYR A 14 -4.563 0.183 -11.790 1.00 10.00 C ATOM 195 C TYR A 14 -4.806 0.229 -13.291 1.00 10.00 C ATOM 196 O TYR A 14 -5.141 -0.780 -13.917 1.00 10.00 O ATOM 197 CB TYR A 14 -3.634 -0.997 -11.482 1.00 10.00 C ATOM 198 CG TYR A 14 -2.221 -0.598 -11.101 1.00 10.00 C ATOM 199 CD1 TYR A 14 -1.453 0.233 -11.914 1.00 10.00 C ATOM 200 CD2 TYR A 14 -1.657 -1.052 -9.915 1.00 10.00 C ATOM 201 CE1 TYR A 14 -0.167 0.595 -11.549 1.00 10.00 C ATOM 202 CE2 TYR A 14 -0.376 -0.691 -9.546 1.00 10.00 C ATOM 203 CZ TYR A 14 0.364 0.131 -10.362 1.00 10.00 C ATOM 204 OH TYR A 14 1.639 0.499 -9.988 1.00 10.00 O ATOM 0 H TYR A 14 -5.694 -0.477 -10.158 1.00 10.00 H new ATOM 0 HA TYR A 14 -4.106 1.126 -11.492 1.00 10.00 H new ATOM 0 HB2 TYR A 14 -4.065 -1.581 -10.669 1.00 10.00 H new ATOM 0 HB3 TYR A 14 -3.592 -1.648 -12.355 1.00 10.00 H new ATOM 0 HD1 TYR A 14 -1.866 0.600 -12.842 1.00 10.00 H new ATOM 0 HD2 TYR A 14 -2.231 -1.700 -9.269 1.00 10.00 H new ATOM 0 HE1 TYR A 14 0.418 1.238 -12.190 1.00 10.00 H new ATOM 0 HE2 TYR A 14 0.043 -1.054 -8.619 1.00 10.00 H new ATOM 0 HH TYR A 14 1.859 0.087 -9.126 1.00 10.00 H new ATOM 214 N ASP A 15 -4.634 1.411 -13.852 1.00 10.00 N ATOM 215 CA ASP A 15 -4.794 1.622 -15.272 1.00 10.00 C ATOM 216 C ASP A 15 -3.554 2.316 -15.765 1.00 10.00 C ATOM 217 O ASP A 15 -3.379 3.512 -15.576 1.00 10.00 O ATOM 218 CB ASP A 15 -6.042 2.457 -15.568 1.00 10.00 C ATOM 219 CG ASP A 15 -6.479 2.368 -17.016 1.00 10.00 C ATOM 220 OD1 ASP A 15 -6.920 1.281 -17.443 1.00 10.00 O ATOM 221 OD2 ASP A 15 -6.405 3.390 -17.727 1.00 10.00 O ATOM 0 H ASP A 15 -4.379 2.251 -13.332 1.00 10.00 H new ATOM 0 HA ASP A 15 -4.927 0.669 -15.783 1.00 10.00 H new ATOM 0 HB2 ASP A 15 -6.857 2.123 -14.926 1.00 10.00 H new ATOM 0 HB3 ASP A 15 -5.844 3.499 -15.316 1.00 10.00 H new ATOM 226 N LYS A 16 -2.678 1.528 -16.351 1.00 10.00 N ATOM 227 CA LYS A 16 -1.399 1.997 -16.862 1.00 10.00 C ATOM 228 C LYS A 16 -1.545 3.203 -17.799 1.00 10.00 C ATOM 229 O LYS A 16 -0.631 4.019 -17.920 1.00 10.00 O ATOM 230 CB LYS A 16 -0.713 0.835 -17.570 1.00 10.00 C ATOM 231 CG LYS A 16 -1.025 0.744 -19.057 1.00 10.00 C ATOM 232 CD LYS A 16 -1.983 -0.397 -19.374 1.00 10.00 C ATOM 233 CE LYS A 16 -1.354 -1.760 -19.118 1.00 10.00 C ATOM 234 NZ LYS A 16 -0.109 -1.970 -19.909 1.00 10.00 N ATOM 0 H LYS A 16 -2.832 0.529 -16.490 1.00 10.00 H new ATOM 0 HA LYS A 16 -0.793 2.343 -16.025 1.00 10.00 H new ATOM 0 HB2 LYS A 16 0.365 0.930 -17.441 1.00 10.00 H new ATOM 0 HB3 LYS A 16 -1.011 -0.097 -17.089 1.00 10.00 H new ATOM 0 HG2 LYS A 16 -1.459 1.685 -19.394 1.00 10.00 H new ATOM 0 HG3 LYS A 16 -0.098 0.603 -19.613 1.00 10.00 H new ATOM 0 HD2 LYS A 16 -2.883 -0.294 -18.767 1.00 10.00 H new ATOM 0 HD3 LYS A 16 -2.292 -0.331 -20.417 1.00 10.00 H new ATOM 0 HE2 LYS A 16 -1.127 -1.859 -18.056 1.00 10.00 H new ATOM 0 HE3 LYS A 16 -2.073 -2.541 -19.364 1.00 10.00 H new ATOM 0 HZ1 LYS A 16 0.140 -2.980 -19.903 1.00 10.00 H new ATOM 0 HZ2 LYS A 16 -0.263 -1.658 -20.889 1.00 10.00 H new ATOM 0 HZ3 LYS A 16 0.667 -1.419 -19.488 1.00 10.00 H new ATOM 248 N ASP A 17 -2.695 3.304 -18.452 1.00 10.00 N ATOM 249 CA ASP A 17 -2.970 4.405 -19.369 1.00 10.00 C ATOM 250 C ASP A 17 -3.161 5.705 -18.596 1.00 10.00 C ATOM 251 O ASP A 17 -2.945 6.797 -19.123 1.00 10.00 O ATOM 252 CB ASP A 17 -4.226 4.117 -20.192 1.00 10.00 C ATOM 253 CG ASP A 17 -4.070 2.925 -21.117 1.00 10.00 C ATOM 254 OD1 ASP A 17 -3.288 3.008 -22.086 1.00 10.00 O ATOM 255 OD2 ASP A 17 -4.742 1.898 -20.891 1.00 10.00 O ATOM 0 H ASP A 17 -3.458 2.633 -18.363 1.00 10.00 H new ATOM 0 HA ASP A 17 -2.117 4.506 -20.041 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.063 3.938 -19.517 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -4.476 4.998 -20.783 1.00 10.00 H new ATOM 260 N LYS A 18 -3.567 5.575 -17.343 1.00 10.00 N ATOM 261 CA LYS A 18 -3.796 6.723 -16.480 1.00 10.00 C ATOM 262 C LYS A 18 -2.588 6.921 -15.556 1.00 10.00 C ATOM 263 O LYS A 18 -1.947 5.957 -15.139 1.00 10.00 O ATOM 264 CB LYS A 18 -5.116 6.541 -15.713 1.00 10.00 C ATOM 265 CG LYS A 18 -4.990 6.163 -14.251 1.00 10.00 C ATOM 266 CD LYS A 18 -6.349 5.761 -13.698 1.00 10.00 C ATOM 267 CE LYS A 18 -6.364 5.740 -12.184 1.00 10.00 C ATOM 268 NZ LYS A 18 -6.803 7.041 -11.610 1.00 10.00 N ATOM 0 H LYS A 18 -3.746 4.675 -16.897 1.00 10.00 H new ATOM 0 HA LYS A 18 -3.897 7.632 -17.073 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -5.683 7.470 -15.780 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.703 5.773 -16.217 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -4.285 5.339 -14.139 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -4.591 7.003 -13.683 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -7.107 6.457 -14.058 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -6.617 4.774 -14.077 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -7.030 4.949 -11.840 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -5.367 5.500 -11.815 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -6.718 7.010 -10.574 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -6.205 7.805 -11.984 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -7.794 7.219 -11.870 1.00 10.00 H new ATOM 282 N PRO A 19 -2.249 8.178 -15.235 1.00 10.00 N ATOM 283 CA PRO A 19 -1.073 8.490 -14.412 1.00 10.00 C ATOM 284 C PRO A 19 -1.238 8.289 -12.904 1.00 10.00 C ATOM 285 O PRO A 19 -1.427 9.253 -12.159 1.00 10.00 O ATOM 286 CB PRO A 19 -0.840 9.966 -14.720 1.00 10.00 C ATOM 287 CG PRO A 19 -2.195 10.514 -15.014 1.00 10.00 C ATOM 288 CD PRO A 19 -2.972 9.396 -15.657 1.00 10.00 C ATOM 0 HA PRO A 19 -0.253 7.814 -14.654 1.00 10.00 H new ATOM 0 HB2 PRO A 19 -0.381 10.479 -13.874 1.00 10.00 H new ATOM 0 HB3 PRO A 19 -0.170 10.091 -15.570 1.00 10.00 H new ATOM 0 HG2 PRO A 19 -2.684 10.852 -14.101 1.00 10.00 H new ATOM 0 HG3 PRO A 19 -2.130 11.375 -15.679 1.00 10.00 H new ATOM 0 HD2 PRO A 19 -4.008 9.383 -15.320 1.00 10.00 H new ATOM 0 HD3 PRO A 19 -2.991 9.494 -16.742 1.00 10.00 H new ATOM 296 N VAL A 20 -1.159 7.040 -12.452 1.00 10.00 N ATOM 297 CA VAL A 20 -1.219 6.735 -11.023 1.00 10.00 C ATOM 298 C VAL A 20 -0.379 5.500 -10.713 1.00 10.00 C ATOM 299 O VAL A 20 -0.286 4.575 -11.523 1.00 10.00 O ATOM 300 CB VAL A 20 -2.653 6.528 -10.437 1.00 10.00 C ATOM 301 CG1 VAL A 20 -3.626 7.598 -10.897 1.00 10.00 C ATOM 302 CG2 VAL A 20 -3.199 5.139 -10.724 1.00 10.00 C ATOM 0 H VAL A 20 -1.053 6.223 -13.053 1.00 10.00 H new ATOM 0 HA VAL A 20 -0.823 7.627 -10.538 1.00 10.00 H new ATOM 0 HB VAL A 20 -2.550 6.623 -9.356 1.00 10.00 H new ATOM 0 HG11 VAL A 20 -4.607 7.409 -10.462 1.00 10.00 H new ATOM 0 HG12 VAL A 20 -3.269 8.577 -10.576 1.00 10.00 H new ATOM 0 HG13 VAL A 20 -3.701 7.578 -11.984 1.00 10.00 H new ATOM 0 HG21 VAL A 20 -4.197 5.045 -10.297 1.00 10.00 H new ATOM 0 HG22 VAL A 20 -3.250 4.983 -11.802 1.00 10.00 H new ATOM 0 HG23 VAL A 20 -2.542 4.391 -10.280 1.00 10.00 H new ATOM 312 N SER A 21 0.252 5.514 -9.556 1.00 10.00 N ATOM 313 CA SER A 21 1.072 4.403 -9.106 1.00 10.00 C ATOM 314 C SER A 21 0.532 3.895 -7.777 1.00 10.00 C ATOM 315 O SER A 21 -0.200 4.617 -7.096 1.00 10.00 O ATOM 316 CB SER A 21 2.522 4.854 -8.939 1.00 10.00 C ATOM 317 OG SER A 21 2.598 6.053 -8.178 1.00 10.00 O ATOM 0 H SER A 21 0.212 6.294 -8.900 1.00 10.00 H new ATOM 0 HA SER A 21 1.039 3.604 -9.846 1.00 10.00 H new ATOM 0 HB2 SER A 21 3.096 4.069 -8.446 1.00 10.00 H new ATOM 0 HB3 SER A 21 2.973 5.012 -9.919 1.00 10.00 H new ATOM 0 HG SER A 21 3.536 6.321 -8.083 1.00 10.00 H new ATOM 323 N PHE A 22 0.896 2.685 -7.387 1.00 10.00 N ATOM 324 CA PHE A 22 0.416 2.146 -6.131 1.00 10.00 C ATOM 325 C PHE A 22 1.548 2.104 -5.101 1.00 10.00 C ATOM 326 O PHE A 22 2.732 2.142 -5.443 1.00 10.00 O ATOM 327 CB PHE A 22 -0.216 0.757 -6.329 1.00 10.00 C ATOM 328 CG PHE A 22 -1.681 0.784 -6.729 1.00 10.00 C ATOM 329 CD1 PHE A 22 -2.179 1.770 -7.577 1.00 10.00 C ATOM 330 CD2 PHE A 22 -2.563 -0.185 -6.258 1.00 10.00 C ATOM 331 CE1 PHE A 22 -3.519 1.785 -7.941 1.00 10.00 C ATOM 332 CE2 PHE A 22 -3.903 -0.168 -6.623 1.00 10.00 C ATOM 333 CZ PHE A 22 -4.376 0.817 -7.464 1.00 10.00 C ATOM 0 H PHE A 22 1.513 2.067 -7.914 1.00 10.00 H new ATOM 0 HA PHE A 22 -0.364 2.805 -5.749 1.00 10.00 H new ATOM 0 HB2 PHE A 22 0.347 0.221 -7.093 1.00 10.00 H new ATOM 0 HB3 PHE A 22 -0.115 0.190 -5.403 1.00 10.00 H new ATOM 0 HD1 PHE A 22 -1.515 2.532 -7.956 1.00 10.00 H new ATOM 0 HD2 PHE A 22 -2.200 -0.961 -5.600 1.00 10.00 H new ATOM 0 HE1 PHE A 22 -3.890 2.557 -8.599 1.00 10.00 H new ATOM 0 HE2 PHE A 22 -4.574 -0.926 -6.248 1.00 10.00 H new ATOM 0 HZ PHE A 22 -5.418 0.830 -7.749 1.00 10.00 H new ATOM 343 N HIS A 23 1.146 2.132 -3.843 1.00 10.00 N ATOM 344 CA HIS A 23 2.060 2.121 -2.683 1.00 10.00 C ATOM 345 C HIS A 23 1.370 1.473 -1.518 1.00 10.00 C ATOM 346 O HIS A 23 0.227 1.121 -1.629 1.00 10.00 O ATOM 347 CB HIS A 23 2.427 3.525 -2.219 1.00 10.00 C ATOM 348 CG HIS A 23 2.049 4.589 -3.172 1.00 10.00 C ATOM 349 ND1 HIS A 23 2.743 5.221 -4.141 1.00 10.00 N flip ATOM 350 CD2 HIS A 23 0.769 5.054 -3.244 1.00 10.00 C flip ATOM 351 CE1 HIS A 23 1.860 6.050 -4.790 1.00 10.00 C flip ATOM 352 NE2 HIS A 23 0.675 5.916 -4.215 1.00 10.00 N flip ATOM 0 H HIS A 23 0.161 2.164 -3.580 1.00 10.00 H new ATOM 0 HA HIS A 23 2.957 1.588 -2.999 1.00 10.00 H new ATOM 0 HB2 HIS A 23 1.942 3.719 -1.262 1.00 10.00 H new ATOM 0 HB3 HIS A 23 3.502 3.571 -2.047 1.00 10.00 H new ATOM 0 HD1 HIS A 23 3.734 5.105 -4.352 1.00 10.00 H new ATOM 0 HD2 HIS A 23 -0.041 4.754 -2.596 1.00 10.00 H new ATOM 0 HE1 HIS A 23 2.092 6.697 -5.623 1.00 10.00 H new ATOM 361 N LYS A 24 2.048 1.333 -0.402 1.00 10.00 N ATOM 362 CA LYS A 24 1.441 0.742 0.774 1.00 10.00 C ATOM 363 C LYS A 24 1.337 1.806 1.873 1.00 10.00 C ATOM 364 O LYS A 24 1.926 2.879 1.741 1.00 10.00 O ATOM 365 CB LYS A 24 2.256 -0.445 1.271 1.00 10.00 C ATOM 366 CG LYS A 24 1.569 -1.776 1.035 1.00 10.00 C ATOM 367 CD LYS A 24 1.711 -2.690 2.237 1.00 10.00 C ATOM 368 CE LYS A 24 2.411 -3.981 1.863 1.00 10.00 C ATOM 369 NZ LYS A 24 3.809 -3.745 1.411 1.00 10.00 N ATOM 0 H LYS A 24 3.020 1.619 -0.281 1.00 10.00 H new ATOM 0 HA LYS A 24 0.446 0.380 0.514 1.00 10.00 H new ATOM 0 HB2 LYS A 24 3.224 -0.449 0.771 1.00 10.00 H new ATOM 0 HB3 LYS A 24 2.448 -0.326 2.337 1.00 10.00 H new ATOM 0 HG2 LYS A 24 0.512 -1.610 0.824 1.00 10.00 H new ATOM 0 HG3 LYS A 24 1.997 -2.258 0.156 1.00 10.00 H new ATOM 0 HD2 LYS A 24 2.274 -2.181 3.020 1.00 10.00 H new ATOM 0 HD3 LYS A 24 0.726 -2.913 2.646 1.00 10.00 H new ATOM 0 HE2 LYS A 24 2.416 -4.653 2.721 1.00 10.00 H new ATOM 0 HE3 LYS A 24 1.853 -4.480 1.071 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 4.348 -4.632 1.473 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 3.804 -3.411 0.426 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 4.253 -3.027 2.018 1.00 10.00 H new ATOM 383 N PHE A 25 0.577 1.536 2.931 1.00 10.00 N ATOM 384 CA PHE A 25 0.441 2.495 4.039 1.00 10.00 C ATOM 385 C PHE A 25 1.790 2.789 4.691 1.00 10.00 C ATOM 386 O PHE A 25 2.722 1.984 4.600 1.00 10.00 O ATOM 387 CB PHE A 25 -0.470 1.946 5.137 1.00 10.00 C ATOM 388 CG PHE A 25 -1.857 2.543 5.179 1.00 10.00 C ATOM 389 CD1 PHE A 25 -2.770 2.275 4.184 1.00 10.00 C ATOM 390 CD2 PHE A 25 -2.250 3.351 6.234 1.00 10.00 C ATOM 391 CE1 PHE A 25 -4.049 2.798 4.230 1.00 10.00 C ATOM 392 CE2 PHE A 25 -3.526 3.878 6.287 1.00 10.00 C ATOM 393 CZ PHE A 25 -4.427 3.601 5.284 1.00 10.00 C ATOM 0 H PHE A 25 0.048 0.672 3.050 1.00 10.00 H new ATOM 0 HA PHE A 25 0.020 3.402 3.604 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -0.560 0.867 5.007 1.00 10.00 H new ATOM 0 HB3 PHE A 25 0.009 2.112 6.102 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.483 1.646 3.354 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -1.549 3.572 7.026 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -4.752 2.577 3.440 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -3.816 4.507 7.115 1.00 10.00 H new ATOM 0 HZ PHE A 25 -5.425 4.011 5.323 1.00 10.00 H new ATOM 403 N PRO A 26 1.906 3.952 5.358 1.00 10.00 N ATOM 404 CA PRO A 26 3.118 4.335 6.091 1.00 10.00 C ATOM 405 C PRO A 26 3.275 3.464 7.338 1.00 10.00 C ATOM 406 O PRO A 26 3.079 3.920 8.467 1.00 10.00 O ATOM 407 CB PRO A 26 2.833 5.782 6.496 1.00 10.00 C ATOM 408 CG PRO A 26 1.352 5.850 6.567 1.00 10.00 C ATOM 409 CD PRO A 26 0.876 5.004 5.428 1.00 10.00 C ATOM 0 HA PRO A 26 4.032 4.219 5.508 1.00 10.00 H new ATOM 0 HB2 PRO A 26 3.290 6.025 7.455 1.00 10.00 H new ATOM 0 HB3 PRO A 26 3.230 6.487 5.765 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.984 5.473 7.521 1.00 10.00 H new ATOM 0 HG3 PRO A 26 0.998 6.877 6.472 1.00 10.00 H new ATOM 0 HD2 PRO A 26 -0.114 4.590 5.617 1.00 10.00 H new ATOM 0 HD3 PRO A 26 0.813 5.572 4.500 1.00 10.00 H new ATOM 417 N LEU A 27 3.637 2.211 7.123 1.00 10.00 N ATOM 418 CA LEU A 27 3.775 1.250 8.202 1.00 10.00 C ATOM 419 C LEU A 27 4.918 1.618 9.120 1.00 10.00 C ATOM 420 O LEU A 27 4.951 1.233 10.288 1.00 10.00 O ATOM 421 CB LEU A 27 3.988 -0.139 7.617 1.00 10.00 C ATOM 422 CG LEU A 27 2.708 -0.828 7.151 1.00 10.00 C ATOM 423 CD1 LEU A 27 3.005 -2.230 6.635 1.00 10.00 C ATOM 424 CD2 LEU A 27 1.703 -0.872 8.289 1.00 10.00 C ATOM 0 H LEU A 27 3.843 1.833 6.198 1.00 10.00 H new ATOM 0 HA LEU A 27 2.861 1.258 8.796 1.00 10.00 H new ATOM 0 HB2 LEU A 27 4.674 -0.064 6.773 1.00 10.00 H new ATOM 0 HB3 LEU A 27 4.472 -0.766 8.366 1.00 10.00 H new ATOM 0 HG LEU A 27 2.280 -0.255 6.328 1.00 10.00 H new ATOM 0 HD11 LEU A 27 2.078 -2.702 6.309 1.00 10.00 H new ATOM 0 HD12 LEU A 27 3.697 -2.170 5.795 1.00 10.00 H new ATOM 0 HD13 LEU A 27 3.453 -2.824 7.432 1.00 10.00 H new ATOM 0 HD21 LEU A 27 0.792 -1.365 7.951 1.00 10.00 H new ATOM 0 HD22 LEU A 27 2.126 -1.427 9.127 1.00 10.00 H new ATOM 0 HD23 LEU A 27 1.469 0.144 8.608 1.00 10.00 H new ATOM 436 N THR A 28 5.837 2.381 8.584 1.00 10.00 N ATOM 437 CA THR A 28 6.994 2.817 9.323 1.00 10.00 C ATOM 438 C THR A 28 6.737 4.159 9.998 1.00 10.00 C ATOM 439 O THR A 28 7.631 4.751 10.605 1.00 10.00 O ATOM 440 CB THR A 28 8.192 2.907 8.372 1.00 10.00 C ATOM 441 OG1 THR A 28 7.926 3.890 7.361 1.00 10.00 O ATOM 442 CG2 THR A 28 8.411 1.554 7.714 1.00 10.00 C ATOM 0 H THR A 28 5.804 2.718 7.622 1.00 10.00 H new ATOM 0 HA THR A 28 7.210 2.093 10.109 1.00 10.00 H new ATOM 0 HB THR A 28 9.083 3.192 8.931 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.692 3.950 6.753 1.00 10.00 H new ATOM 0 HG21 THR A 28 9.263 1.613 7.036 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.608 0.804 8.480 1.00 10.00 H new ATOM 0 HG23 THR A 28 7.519 1.274 7.153 1.00 10.00 H new ATOM 450 N ARG A 29 5.500 4.629 9.901 1.00 10.00 N ATOM 451 CA ARG A 29 5.106 5.878 10.507 1.00 10.00 C ATOM 452 C ARG A 29 3.656 5.753 10.960 1.00 10.00 C ATOM 453 O ARG A 29 2.780 6.442 10.450 1.00 10.00 O ATOM 454 CB ARG A 29 5.275 7.016 9.501 1.00 10.00 C ATOM 455 CG ARG A 29 5.198 8.396 10.116 1.00 10.00 C ATOM 456 CD ARG A 29 5.816 9.437 9.204 1.00 10.00 C ATOM 457 NE ARG A 29 7.102 9.898 9.718 1.00 10.00 N ATOM 458 CZ ARG A 29 8.284 9.639 9.150 1.00 10.00 C ATOM 459 NH1 ARG A 29 8.358 8.947 8.018 1.00 10.00 N ATOM 460 NH2 ARG A 29 9.397 10.080 9.714 1.00 10.00 N ATOM 0 H ARG A 29 4.750 4.152 9.401 1.00 10.00 H new ATOM 0 HA ARG A 29 5.733 6.102 11.370 1.00 10.00 H new ATOM 0 HB2 ARG A 29 6.237 6.905 9.001 1.00 10.00 H new ATOM 0 HB3 ARG A 29 4.505 6.927 8.735 1.00 10.00 H new ATOM 0 HG2 ARG A 29 4.157 8.652 10.312 1.00 10.00 H new ATOM 0 HG3 ARG A 29 5.713 8.398 11.077 1.00 10.00 H new ATOM 0 HD2 ARG A 29 5.950 9.016 8.207 1.00 10.00 H new ATOM 0 HD3 ARG A 29 5.138 10.284 9.104 1.00 10.00 H new ATOM 0 HE ARG A 29 7.098 10.457 10.571 1.00 10.00 H new ATOM 0 HH11 ARG A 29 7.506 8.606 7.572 1.00 10.00 H new ATOM 0 HH12 ARG A 29 9.266 8.756 7.595 1.00 10.00 H new ATOM 0 HH21 ARG A 29 9.352 10.616 10.580 1.00 10.00 H new ATOM 0 HH22 ARG A 29 10.300 9.883 9.282 1.00 10.00 H new ATOM 474 N PRO A 30 3.395 4.841 11.920 1.00 10.00 N ATOM 475 CA PRO A 30 2.051 4.563 12.432 1.00 10.00 C ATOM 476 C PRO A 30 1.222 5.802 12.752 1.00 10.00 C ATOM 477 O PRO A 30 0.092 5.904 12.308 1.00 10.00 O ATOM 478 CB PRO A 30 2.291 3.782 13.719 1.00 10.00 C ATOM 479 CG PRO A 30 3.768 3.763 13.934 1.00 10.00 C ATOM 480 CD PRO A 30 4.390 3.993 12.591 1.00 10.00 C ATOM 0 HA PRO A 30 1.477 4.034 11.671 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.783 4.254 14.560 1.00 10.00 H new ATOM 0 HB3 PRO A 30 1.898 2.769 13.637 1.00 10.00 H new ATOM 0 HG2 PRO A 30 4.068 4.538 14.640 1.00 10.00 H new ATOM 0 HG3 PRO A 30 4.088 2.809 14.353 1.00 10.00 H new ATOM 0 HD2 PRO A 30 5.357 4.489 12.671 1.00 10.00 H new ATOM 0 HD3 PRO A 30 4.554 3.058 12.055 1.00 10.00 H new ATOM 488 N SER A 31 1.762 6.729 13.542 1.00 10.00 N ATOM 489 CA SER A 31 1.024 7.946 13.885 1.00 10.00 C ATOM 490 C SER A 31 0.474 8.589 12.615 1.00 10.00 C ATOM 491 O SER A 31 -0.717 8.875 12.514 1.00 10.00 O ATOM 492 CB SER A 31 1.929 8.914 14.650 1.00 10.00 C ATOM 493 OG SER A 31 2.800 8.198 15.516 1.00 10.00 O ATOM 0 H SER A 31 2.694 6.664 13.952 1.00 10.00 H new ATOM 0 HA SER A 31 0.184 7.692 14.532 1.00 10.00 H new ATOM 0 HB2 SER A 31 2.513 9.509 13.947 1.00 10.00 H new ATOM 0 HB3 SER A 31 1.321 9.610 15.229 1.00 10.00 H new ATOM 0 HG SER A 31 3.374 8.829 15.998 1.00 10.00 H new ATOM 499 N LEU A 32 1.335 8.724 11.620 1.00 10.00 N ATOM 500 CA LEU A 32 0.945 9.298 10.348 1.00 10.00 C ATOM 501 C LEU A 32 -0.048 8.359 9.669 1.00 10.00 C ATOM 502 O LEU A 32 -1.036 8.798 9.085 1.00 10.00 O ATOM 503 CB LEU A 32 2.205 9.517 9.492 1.00 10.00 C ATOM 504 CG LEU A 32 2.042 10.243 8.159 1.00 10.00 C ATOM 505 CD1 LEU A 32 1.903 9.253 7.027 1.00 10.00 C ATOM 506 CD2 LEU A 32 0.864 11.176 8.210 1.00 10.00 C ATOM 0 H LEU A 32 2.314 8.441 11.672 1.00 10.00 H new ATOM 0 HA LEU A 32 0.459 10.264 10.485 1.00 10.00 H new ATOM 0 HB2 LEU A 32 2.924 10.075 10.091 1.00 10.00 H new ATOM 0 HB3 LEU A 32 2.647 8.541 9.290 1.00 10.00 H new ATOM 0 HG LEU A 32 2.937 10.837 7.976 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.788 9.790 6.086 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.794 8.626 6.980 1.00 10.00 H new ATOM 0 HD13 LEU A 32 1.027 8.627 7.197 1.00 10.00 H new ATOM 0 HD21 LEU A 32 0.762 11.686 7.252 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -0.042 10.607 8.417 1.00 10.00 H new ATOM 0 HD23 LEU A 32 1.017 11.913 8.998 1.00 10.00 H new ATOM 518 N CYS A 33 0.170 7.063 9.850 1.00 10.00 N ATOM 519 CA CYS A 33 -0.685 6.047 9.258 1.00 10.00 C ATOM 520 C CYS A 33 -2.092 6.236 9.763 1.00 10.00 C ATOM 521 O CYS A 33 -3.077 6.122 9.035 1.00 10.00 O ATOM 522 CB CYS A 33 -0.207 4.674 9.714 1.00 10.00 C ATOM 523 SG CYS A 33 -1.191 3.286 9.111 1.00 10.00 S ATOM 0 H CYS A 33 0.939 6.690 10.407 1.00 10.00 H new ATOM 0 HA CYS A 33 -0.652 6.127 8.171 1.00 10.00 H new ATOM 0 HB2 CYS A 33 0.824 4.538 9.388 1.00 10.00 H new ATOM 0 HB3 CYS A 33 -0.202 4.651 10.804 1.00 10.00 H new ATOM 0 HG CYS A 33 -2.147 3.730 8.349 1.00 10.00 H new ATOM 529 N LYS A 34 -2.133 6.607 11.017 1.00 10.00 N ATOM 530 CA LYS A 34 -3.348 6.776 11.743 1.00 10.00 C ATOM 531 C LYS A 34 -4.180 7.939 11.226 1.00 10.00 C ATOM 532 O LYS A 34 -5.410 7.843 11.206 1.00 10.00 O ATOM 533 CB LYS A 34 -2.987 6.927 13.210 1.00 10.00 C ATOM 534 CG LYS A 34 -3.941 7.778 14.021 1.00 10.00 C ATOM 535 CD LYS A 34 -3.158 8.835 14.778 1.00 10.00 C ATOM 536 CE LYS A 34 -3.946 9.389 15.946 1.00 10.00 C ATOM 537 NZ LYS A 34 -3.191 10.443 16.678 1.00 10.00 N ATOM 0 H LYS A 34 -1.297 6.803 11.568 1.00 10.00 H new ATOM 0 HA LYS A 34 -3.984 5.902 11.606 1.00 10.00 H new ATOM 0 HB2 LYS A 34 -2.937 5.935 13.660 1.00 10.00 H new ATOM 0 HB3 LYS A 34 -1.989 7.360 13.280 1.00 10.00 H new ATOM 0 HG2 LYS A 34 -4.671 8.252 13.364 1.00 10.00 H new ATOM 0 HG3 LYS A 34 -4.498 7.154 14.719 1.00 10.00 H new ATOM 0 HD2 LYS A 34 -2.224 8.406 15.141 1.00 10.00 H new ATOM 0 HD3 LYS A 34 -2.894 9.647 14.100 1.00 10.00 H new ATOM 0 HE2 LYS A 34 -4.888 9.802 15.585 1.00 10.00 H new ATOM 0 HE3 LYS A 34 -4.196 8.579 16.632 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 -3.766 10.795 17.470 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 -2.304 10.043 17.045 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 -2.975 11.228 16.031 1.00 10.00 H new ATOM 551 N GLU A 35 -3.561 9.022 10.751 1.00 10.00 N ATOM 552 CA GLU A 35 -4.396 10.118 10.279 1.00 10.00 C ATOM 553 C GLU A 35 -5.040 9.731 8.973 1.00 10.00 C ATOM 554 O GLU A 35 -6.074 10.280 8.606 1.00 10.00 O ATOM 555 CB GLU A 35 -3.698 11.462 10.130 1.00 10.00 C ATOM 556 CG GLU A 35 -2.220 11.407 9.822 1.00 10.00 C ATOM 557 CD GLU A 35 -1.539 12.723 10.134 1.00 10.00 C ATOM 558 OE1 GLU A 35 -1.344 13.023 11.334 1.00 10.00 O ATOM 559 OE2 GLU A 35 -1.220 13.474 9.193 1.00 10.00 O ATOM 0 H GLU A 35 -2.552 9.159 10.686 1.00 10.00 H new ATOM 0 HA GLU A 35 -5.137 10.273 11.064 1.00 10.00 H new ATOM 0 HB2 GLU A 35 -4.194 12.021 9.337 1.00 10.00 H new ATOM 0 HB3 GLU A 35 -3.837 12.026 11.052 1.00 10.00 H new ATOM 0 HG2 GLU A 35 -1.756 10.609 10.402 1.00 10.00 H new ATOM 0 HG3 GLU A 35 -2.075 11.162 8.770 1.00 10.00 H new ATOM 566 N TRP A 36 -4.449 8.764 8.272 1.00 10.00 N ATOM 567 CA TRP A 36 -5.031 8.315 7.028 1.00 10.00 C ATOM 568 C TRP A 36 -6.398 7.749 7.340 1.00 10.00 C ATOM 569 O TRP A 36 -7.343 7.941 6.583 1.00 10.00 O ATOM 570 CB TRP A 36 -4.148 7.278 6.334 1.00 10.00 C ATOM 571 CG TRP A 36 -2.850 7.841 5.836 1.00 10.00 C ATOM 572 CD1 TRP A 36 -2.139 8.864 6.395 1.00 10.00 C ATOM 573 CD2 TRP A 36 -2.115 7.427 4.677 1.00 10.00 C ATOM 574 NE1 TRP A 36 -1.015 9.119 5.658 1.00 10.00 N ATOM 575 CE2 TRP A 36 -0.968 8.246 4.602 1.00 10.00 C ATOM 576 CE3 TRP A 36 -2.307 6.446 3.691 1.00 10.00 C ATOM 577 CZ2 TRP A 36 -0.026 8.116 3.585 1.00 10.00 C ATOM 578 CZ3 TRP A 36 -1.368 6.323 2.683 1.00 10.00 C ATOM 579 CH2 TRP A 36 -0.240 7.154 2.639 1.00 10.00 C ATOM 0 H TRP A 36 -3.587 8.291 8.544 1.00 10.00 H new ATOM 0 HA TRP A 36 -5.117 9.153 6.336 1.00 10.00 H new ATOM 0 HB2 TRP A 36 -3.940 6.465 7.029 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -4.695 6.848 5.495 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -2.423 9.396 7.291 1.00 10.00 H new ATOM 0 HE1 TRP A 36 -0.324 9.841 5.861 1.00 10.00 H new ATOM 0 HE3 TRP A 36 -3.172 5.800 3.719 1.00 10.00 H new ATOM 0 HZ2 TRP A 36 0.844 8.754 3.545 1.00 10.00 H new ATOM 0 HZ3 TRP A 36 -1.506 5.574 1.917 1.00 10.00 H new ATOM 0 HH2 TRP A 36 0.476 7.031 1.840 1.00 10.00 H new ATOM 590 N GLU A 37 -6.510 7.139 8.522 1.00 10.00 N ATOM 591 CA GLU A 37 -7.769 6.571 8.961 1.00 10.00 C ATOM 592 C GLU A 37 -8.784 7.703 9.097 1.00 10.00 C ATOM 593 O GLU A 37 -9.946 7.567 8.715 1.00 10.00 O ATOM 594 CB GLU A 37 -7.602 5.846 10.307 1.00 10.00 C ATOM 595 CG GLU A 37 -6.360 4.964 10.416 1.00 10.00 C ATOM 596 CD GLU A 37 -6.508 3.592 9.790 1.00 10.00 C ATOM 597 OE1 GLU A 37 -7.593 3.001 9.900 1.00 10.00 O ATOM 598 OE2 GLU A 37 -5.513 3.079 9.230 1.00 10.00 O ATOM 0 H GLU A 37 -5.742 7.030 9.184 1.00 10.00 H new ATOM 0 HA GLU A 37 -8.114 5.840 8.230 1.00 10.00 H new ATOM 0 HB2 GLU A 37 -7.571 6.591 11.102 1.00 10.00 H new ATOM 0 HB3 GLU A 37 -8.484 5.229 10.482 1.00 10.00 H new ATOM 0 HG2 GLU A 37 -5.523 5.477 9.943 1.00 10.00 H new ATOM 0 HG3 GLU A 37 -6.106 4.844 11.469 1.00 10.00 H new ATOM 605 N ALA A 38 -8.291 8.854 9.567 1.00 10.00 N ATOM 606 CA ALA A 38 -9.109 10.037 9.770 1.00 10.00 C ATOM 607 C ALA A 38 -9.668 10.541 8.450 1.00 10.00 C ATOM 608 O ALA A 38 -10.729 11.166 8.409 1.00 10.00 O ATOM 609 CB ALA A 38 -8.305 11.129 10.464 1.00 10.00 C ATOM 0 H ALA A 38 -7.310 8.984 9.816 1.00 10.00 H new ATOM 0 HA ALA A 38 -9.948 9.766 10.411 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -8.934 12.008 10.608 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -7.960 10.767 11.433 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.445 11.395 9.849 1.00 10.00 H new ATOM 615 N ALA A 39 -8.958 10.249 7.368 1.00 10.00 N ATOM 616 CA ALA A 39 -9.390 10.670 6.054 1.00 10.00 C ATOM 617 C ALA A 39 -10.397 9.672 5.502 1.00 10.00 C ATOM 618 O ALA A 39 -11.273 10.020 4.710 1.00 10.00 O ATOM 619 CB ALA A 39 -8.193 10.823 5.129 1.00 10.00 C ATOM 0 H ALA A 39 -8.084 9.724 7.380 1.00 10.00 H new ATOM 0 HA ALA A 39 -9.877 11.642 6.126 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -8.533 11.140 4.143 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.512 11.570 5.536 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.675 9.868 5.044 1.00 10.00 H new ATOM 625 N VAL A 40 -10.290 8.423 5.951 1.00 10.00 N ATOM 626 CA VAL A 40 -11.204 7.378 5.514 1.00 10.00 C ATOM 627 C VAL A 40 -12.411 7.354 6.449 1.00 10.00 C ATOM 628 O VAL A 40 -12.803 6.311 6.976 1.00 10.00 O ATOM 629 CB VAL A 40 -10.551 5.989 5.506 1.00 10.00 C ATOM 630 CG1 VAL A 40 -11.273 5.074 4.534 1.00 10.00 C ATOM 631 CG2 VAL A 40 -9.071 6.061 5.159 1.00 10.00 C ATOM 0 H VAL A 40 -9.580 8.114 6.615 1.00 10.00 H new ATOM 0 HA VAL A 40 -11.501 7.607 4.490 1.00 10.00 H new ATOM 0 HB VAL A 40 -10.634 5.581 6.513 1.00 10.00 H new ATOM 0 HG11 VAL A 40 -10.799 4.092 4.538 1.00 10.00 H new ATOM 0 HG12 VAL A 40 -12.316 4.975 4.834 1.00 10.00 H new ATOM 0 HG13 VAL A 40 -11.223 5.497 3.531 1.00 10.00 H new ATOM 0 HG21 VAL A 40 -8.647 5.057 5.164 1.00 10.00 H new ATOM 0 HG22 VAL A 40 -8.950 6.501 4.169 1.00 10.00 H new ATOM 0 HG23 VAL A 40 -8.554 6.677 5.895 1.00 10.00 H new ATOM 641 N ARG A 41 -12.981 8.529 6.648 1.00 10.00 N ATOM 642 CA ARG A 41 -14.137 8.731 7.530 1.00 10.00 C ATOM 643 C ARG A 41 -15.420 8.106 6.983 1.00 10.00 C ATOM 644 O ARG A 41 -16.513 8.401 7.461 1.00 10.00 O ATOM 645 CB ARG A 41 -14.360 10.233 7.784 1.00 10.00 C ATOM 646 CG ARG A 41 -14.170 11.134 6.560 1.00 10.00 C ATOM 647 CD ARG A 41 -15.308 10.996 5.556 1.00 10.00 C ATOM 648 NE ARG A 41 -16.623 11.236 6.155 1.00 10.00 N ATOM 649 CZ ARG A 41 -17.260 12.408 6.128 1.00 10.00 C ATOM 650 NH1 ARG A 41 -16.697 13.470 5.567 1.00 10.00 N ATOM 651 NH2 ARG A 41 -18.462 12.517 6.674 1.00 10.00 N ATOM 0 H ARG A 41 -12.657 9.386 6.200 1.00 10.00 H new ATOM 0 HA ARG A 41 -13.905 8.225 8.467 1.00 10.00 H new ATOM 0 HB2 ARG A 41 -15.371 10.375 8.167 1.00 10.00 H new ATOM 0 HB3 ARG A 41 -13.674 10.559 8.566 1.00 10.00 H new ATOM 0 HG2 ARG A 41 -14.099 12.172 6.884 1.00 10.00 H new ATOM 0 HG3 ARG A 41 -13.227 10.887 6.073 1.00 10.00 H new ATOM 0 HD2 ARG A 41 -15.152 11.699 4.738 1.00 10.00 H new ATOM 0 HD3 ARG A 41 -15.287 9.995 5.125 1.00 10.00 H new ATOM 0 HE ARG A 41 -17.082 10.455 6.624 1.00 10.00 H new ATOM 0 HH11 ARG A 41 -15.769 13.395 5.151 1.00 10.00 H new ATOM 0 HH12 ARG A 41 -17.192 14.361 5.552 1.00 10.00 H new ATOM 0 HH21 ARG A 41 -18.898 11.706 7.113 1.00 10.00 H new ATOM 0 HH22 ARG A 41 -18.952 13.412 6.655 1.00 10.00 H new ATOM 665 N ARG A 42 -15.283 7.261 5.983 1.00 10.00 N ATOM 666 CA ARG A 42 -16.424 6.610 5.363 1.00 10.00 C ATOM 667 C ARG A 42 -16.752 5.306 6.048 1.00 10.00 C ATOM 668 O ARG A 42 -15.884 4.679 6.658 1.00 10.00 O ATOM 669 CB ARG A 42 -16.107 6.282 3.908 1.00 10.00 C ATOM 670 CG ARG A 42 -17.297 5.753 3.122 1.00 10.00 C ATOM 671 CD ARG A 42 -18.311 6.846 2.834 1.00 10.00 C ATOM 672 NE ARG A 42 -19.523 6.315 2.214 1.00 10.00 N ATOM 673 CZ ARG A 42 -20.759 6.615 2.619 1.00 10.00 C ATOM 674 NH1 ARG A 42 -20.948 7.469 3.621 1.00 10.00 N ATOM 675 NH2 ARG A 42 -21.807 6.073 2.010 1.00 10.00 N ATOM 0 H ARG A 42 -14.383 7.005 5.577 1.00 10.00 H new ATOM 0 HA ARG A 42 -17.267 7.296 5.443 1.00 10.00 H new ATOM 0 HB2 ARG A 42 -15.730 7.179 3.417 1.00 10.00 H new ATOM 0 HB3 ARG A 42 -15.307 5.542 3.879 1.00 10.00 H new ATOM 0 HG2 ARG A 42 -16.950 5.322 2.183 1.00 10.00 H new ATOM 0 HG3 ARG A 42 -17.776 4.951 3.683 1.00 10.00 H new ATOM 0 HD2 ARG A 42 -18.571 7.354 3.763 1.00 10.00 H new ATOM 0 HD3 ARG A 42 -17.864 7.592 2.177 1.00 10.00 H new ATOM 0 HE ARG A 42 -19.418 5.677 1.425 1.00 10.00 H new ATOM 0 HH11 ARG A 42 -20.146 7.898 4.084 1.00 10.00 H new ATOM 0 HH12 ARG A 42 -21.894 7.695 3.927 1.00 10.00 H new ATOM 0 HH21 ARG A 42 -21.668 5.427 1.233 1.00 10.00 H new ATOM 0 HH22 ARG A 42 -22.752 6.302 2.319 1.00 10.00 H new ATOM 689 N LYS A 43 -18.012 4.906 5.960 1.00 10.00 N ATOM 690 CA LYS A 43 -18.402 3.622 6.480 1.00 10.00 C ATOM 691 C LYS A 43 -17.844 2.586 5.525 1.00 10.00 C ATOM 692 O LYS A 43 -17.485 2.920 4.391 1.00 10.00 O ATOM 693 CB LYS A 43 -19.927 3.445 6.558 1.00 10.00 C ATOM 694 CG LYS A 43 -20.346 2.067 7.063 1.00 10.00 C ATOM 695 CD LYS A 43 -21.819 2.001 7.416 1.00 10.00 C ATOM 696 CE LYS A 43 -22.692 1.738 6.198 1.00 10.00 C ATOM 697 NZ LYS A 43 -22.734 0.292 5.843 1.00 10.00 N ATOM 0 H LYS A 43 -18.765 5.449 5.538 1.00 10.00 H new ATOM 0 HA LYS A 43 -18.021 3.521 7.496 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -20.342 4.208 7.217 1.00 10.00 H new ATOM 0 HB3 LYS A 43 -20.357 3.609 5.570 1.00 10.00 H new ATOM 0 HG2 LYS A 43 -20.125 1.321 6.299 1.00 10.00 H new ATOM 0 HG3 LYS A 43 -19.753 1.810 7.941 1.00 10.00 H new ATOM 0 HD2 LYS A 43 -21.979 1.213 8.152 1.00 10.00 H new ATOM 0 HD3 LYS A 43 -22.121 2.939 7.882 1.00 10.00 H new ATOM 0 HE2 LYS A 43 -23.704 2.093 6.394 1.00 10.00 H new ATOM 0 HE3 LYS A 43 -22.313 2.309 5.350 1.00 10.00 H new ATOM 0 HZ1 LYS A 43 -23.673 0.055 5.463 1.00 10.00 H new ATOM 0 HZ2 LYS A 43 -22.009 0.090 5.125 1.00 10.00 H new ATOM 0 HZ3 LYS A 43 -22.550 -0.279 6.692 1.00 10.00 H new ATOM 711 N ASN A 44 -17.791 1.351 5.964 1.00 10.00 N ATOM 712 CA ASN A 44 -17.304 0.258 5.160 1.00 10.00 C ATOM 713 C ASN A 44 -15.838 0.479 4.786 1.00 10.00 C ATOM 714 O ASN A 44 -15.410 0.051 3.719 1.00 10.00 O ATOM 715 CB ASN A 44 -18.152 0.059 3.887 1.00 10.00 C ATOM 716 CG ASN A 44 -19.622 0.397 4.051 1.00 10.00 C ATOM 717 OD1 ASN A 44 -20.394 -0.354 4.647 1.00 10.00 O ATOM 718 ND2 ASN A 44 -20.029 1.525 3.497 1.00 10.00 N ATOM 0 H ASN A 44 -18.088 1.075 6.900 1.00 10.00 H new ATOM 0 HA ASN A 44 -17.387 -0.648 5.760 1.00 10.00 H new ATOM 0 HB2 ASN A 44 -17.737 0.675 3.089 1.00 10.00 H new ATOM 0 HB3 ASN A 44 -18.064 -0.979 3.566 1.00 10.00 H new ATOM 0 HD21 ASN A 44 -21.010 1.797 3.556 1.00 10.00 H new ATOM 0 HD22 ASN A 44 -19.362 2.124 3.010 1.00 10.00 H new ATOM 725 N PHE A 45 -15.113 1.214 5.655 1.00 10.00 N ATOM 726 CA PHE A 45 -13.675 1.489 5.494 1.00 10.00 C ATOM 727 C PHE A 45 -12.978 0.337 4.756 1.00 10.00 C ATOM 728 O PHE A 45 -13.023 -0.817 5.190 1.00 10.00 O ATOM 729 CB PHE A 45 -13.055 1.716 6.900 1.00 10.00 C ATOM 730 CG PHE A 45 -11.592 2.127 6.940 1.00 10.00 C ATOM 731 CD1 PHE A 45 -10.632 1.401 6.262 1.00 10.00 C ATOM 732 CD2 PHE A 45 -11.176 3.231 7.676 1.00 10.00 C ATOM 733 CE1 PHE A 45 -9.300 1.748 6.300 1.00 10.00 C ATOM 734 CE2 PHE A 45 -9.842 3.588 7.719 1.00 10.00 C ATOM 735 CZ PHE A 45 -8.902 2.847 7.028 1.00 10.00 C ATOM 0 H PHE A 45 -15.514 1.635 6.493 1.00 10.00 H new ATOM 0 HA PHE A 45 -13.535 2.385 4.889 1.00 10.00 H new ATOM 0 HB2 PHE A 45 -13.638 2.483 7.410 1.00 10.00 H new ATOM 0 HB3 PHE A 45 -13.166 0.796 7.474 1.00 10.00 H new ATOM 0 HD1 PHE A 45 -10.934 0.538 5.687 1.00 10.00 H new ATOM 0 HD2 PHE A 45 -11.903 3.816 8.220 1.00 10.00 H new ATOM 0 HE1 PHE A 45 -8.571 1.161 5.761 1.00 10.00 H new ATOM 0 HE2 PHE A 45 -9.533 4.448 8.294 1.00 10.00 H new ATOM 0 HZ PHE A 45 -7.860 3.129 7.059 1.00 10.00 H new ATOM 745 N LYS A 46 -12.373 0.681 3.616 1.00 10.00 N ATOM 746 CA LYS A 46 -11.658 -0.265 2.755 1.00 10.00 C ATOM 747 C LYS A 46 -10.539 -1.005 3.510 1.00 10.00 C ATOM 748 O LYS A 46 -10.362 -0.801 4.702 1.00 10.00 O ATOM 749 CB LYS A 46 -11.106 0.507 1.555 1.00 10.00 C ATOM 750 CG LYS A 46 -11.663 0.020 0.227 1.00 10.00 C ATOM 751 CD LYS A 46 -12.467 1.100 -0.476 1.00 10.00 C ATOM 752 CE LYS A 46 -13.009 0.618 -1.810 1.00 10.00 C ATOM 753 NZ LYS A 46 -13.588 -0.749 -1.712 1.00 10.00 N ATOM 0 H LYS A 46 -12.366 1.637 3.260 1.00 10.00 H new ATOM 0 HA LYS A 46 -12.349 -1.037 2.417 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -11.338 1.565 1.673 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -10.020 0.418 1.541 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -10.843 -0.300 -0.416 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -12.295 -0.852 0.395 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -13.294 1.411 0.162 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -11.839 1.977 -0.634 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -13.772 1.311 -2.164 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -12.208 0.621 -2.550 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -14.138 -0.955 -2.570 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -12.821 -1.445 -1.617 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -14.210 -0.804 -0.881 1.00 10.00 H new ATOM 767 N PRO A 47 -9.766 -1.891 2.845 1.00 10.00 N ATOM 768 CA PRO A 47 -8.701 -2.630 3.518 1.00 10.00 C ATOM 769 C PRO A 47 -7.748 -1.731 4.295 1.00 10.00 C ATOM 770 O PRO A 47 -7.602 -0.539 4.017 1.00 10.00 O ATOM 771 CB PRO A 47 -7.988 -3.369 2.391 1.00 10.00 C ATOM 772 CG PRO A 47 -9.002 -3.486 1.311 1.00 10.00 C ATOM 773 CD PRO A 47 -9.853 -2.250 1.419 1.00 10.00 C ATOM 0 HA PRO A 47 -9.101 -3.302 4.277 1.00 10.00 H new ATOM 0 HB2 PRO A 47 -7.110 -2.819 2.051 1.00 10.00 H new ATOM 0 HB3 PRO A 47 -7.643 -4.350 2.718 1.00 10.00 H new ATOM 0 HG2 PRO A 47 -8.527 -3.550 0.332 1.00 10.00 H new ATOM 0 HG3 PRO A 47 -9.603 -4.387 1.433 1.00 10.00 H new ATOM 0 HD2 PRO A 47 -9.479 -1.449 0.781 1.00 10.00 H new ATOM 0 HD3 PRO A 47 -10.882 -2.444 1.117 1.00 10.00 H new ATOM 781 N THR A 48 -7.067 -2.347 5.238 1.00 10.00 N ATOM 782 CA THR A 48 -6.177 -1.654 6.145 1.00 10.00 C ATOM 783 C THR A 48 -4.820 -1.352 5.550 1.00 10.00 C ATOM 784 O THR A 48 -4.557 -1.659 4.400 1.00 10.00 O ATOM 785 CB THR A 48 -5.972 -2.512 7.391 1.00 10.00 C ATOM 786 OG1 THR A 48 -5.070 -3.595 7.090 1.00 10.00 O ATOM 787 CG2 THR A 48 -7.295 -3.082 7.836 1.00 10.00 C ATOM 0 H THR A 48 -7.116 -3.353 5.398 1.00 10.00 H new ATOM 0 HA THR A 48 -6.650 -0.700 6.376 1.00 10.00 H new ATOM 0 HB THR A 48 -5.552 -1.895 8.185 1.00 10.00 H new ATOM 0 HG1 THR A 48 -5.179 -4.306 7.755 1.00 10.00 H new ATOM 0 HG21 THR A 48 -7.147 -3.694 8.726 1.00 10.00 H new ATOM 0 HG22 THR A 48 -7.983 -2.268 8.066 1.00 10.00 H new ATOM 0 HG23 THR A 48 -7.713 -3.696 7.039 1.00 10.00 H new ATOM 795 N LYS A 49 -3.957 -0.797 6.394 1.00 10.00 N ATOM 796 CA LYS A 49 -2.587 -0.420 6.049 1.00 10.00 C ATOM 797 C LYS A 49 -1.808 -1.498 5.300 1.00 10.00 C ATOM 798 O LYS A 49 -0.748 -1.216 4.742 1.00 10.00 O ATOM 799 CB LYS A 49 -1.806 -0.033 7.313 1.00 10.00 C ATOM 800 CG LYS A 49 -1.910 -1.027 8.469 1.00 10.00 C ATOM 801 CD LYS A 49 -3.156 -0.817 9.325 1.00 10.00 C ATOM 802 CE LYS A 49 -3.278 0.610 9.820 1.00 10.00 C ATOM 803 NZ LYS A 49 -4.561 0.851 10.531 1.00 10.00 N ATOM 0 H LYS A 49 -4.196 -0.590 7.364 1.00 10.00 H new ATOM 0 HA LYS A 49 -2.685 0.428 5.372 1.00 10.00 H new ATOM 0 HB2 LYS A 49 -0.755 0.086 7.050 1.00 10.00 H new ATOM 0 HB3 LYS A 49 -2.160 0.939 7.657 1.00 10.00 H new ATOM 0 HG2 LYS A 49 -1.917 -2.041 8.070 1.00 10.00 H new ATOM 0 HG3 LYS A 49 -1.024 -0.938 9.098 1.00 10.00 H new ATOM 0 HD2 LYS A 49 -4.041 -1.075 8.744 1.00 10.00 H new ATOM 0 HD3 LYS A 49 -3.127 -1.494 10.178 1.00 10.00 H new ATOM 0 HE2 LYS A 49 -2.447 0.833 10.489 1.00 10.00 H new ATOM 0 HE3 LYS A 49 -3.199 1.294 8.975 1.00 10.00 H new ATOM 0 HZ1 LYS A 49 -5.102 1.585 10.031 1.00 10.00 H new ATOM 0 HZ2 LYS A 49 -5.114 -0.030 10.558 1.00 10.00 H new ATOM 0 HZ3 LYS A 49 -4.366 1.167 11.502 1.00 10.00 H new ATOM 817 N TYR A 50 -2.292 -2.728 5.292 1.00 10.00 N ATOM 818 CA TYR A 50 -1.583 -3.762 4.581 1.00 10.00 C ATOM 819 C TYR A 50 -1.878 -3.673 3.095 1.00 10.00 C ATOM 820 O TYR A 50 -1.068 -4.094 2.274 1.00 10.00 O ATOM 821 CB TYR A 50 -1.950 -5.131 5.099 1.00 10.00 C ATOM 822 CG TYR A 50 -1.437 -5.425 6.480 1.00 10.00 C ATOM 823 CD1 TYR A 50 -0.125 -5.818 6.670 1.00 10.00 C ATOM 824 CD2 TYR A 50 -2.277 -5.359 7.580 1.00 10.00 C ATOM 825 CE1 TYR A 50 0.340 -6.155 7.915 1.00 10.00 C ATOM 826 CE2 TYR A 50 -1.811 -5.675 8.841 1.00 10.00 C ATOM 827 CZ TYR A 50 -0.500 -6.080 8.996 1.00 10.00 C ATOM 828 OH TYR A 50 -0.039 -6.479 10.222 1.00 10.00 O ATOM 0 H TYR A 50 -3.150 -3.024 5.758 1.00 10.00 H new ATOM 0 HA TYR A 50 -0.516 -3.611 4.745 1.00 10.00 H new ATOM 0 HB2 TYR A 50 -3.036 -5.228 5.099 1.00 10.00 H new ATOM 0 HB3 TYR A 50 -1.562 -5.883 4.412 1.00 10.00 H new ATOM 0 HD1 TYR A 50 0.545 -5.860 5.824 1.00 10.00 H new ATOM 0 HD2 TYR A 50 -3.306 -5.058 7.450 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.363 -6.478 8.043 1.00 10.00 H new ATOM 0 HE2 TYR A 50 -2.465 -5.606 9.697 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.747 -6.367 10.890 1.00 10.00 H new ATOM 838 N SER A 51 -3.037 -3.142 2.737 1.00 10.00 N ATOM 839 CA SER A 51 -3.361 -3.013 1.338 1.00 10.00 C ATOM 840 C SER A 51 -2.551 -1.865 0.738 1.00 10.00 C ATOM 841 O SER A 51 -1.877 -1.125 1.460 1.00 10.00 O ATOM 842 CB SER A 51 -4.862 -2.835 1.117 1.00 10.00 C ATOM 843 OG SER A 51 -5.424 -1.960 2.057 1.00 10.00 O ATOM 0 H SER A 51 -3.749 -2.803 3.383 1.00 10.00 H new ATOM 0 HA SER A 51 -3.091 -3.936 0.825 1.00 10.00 H new ATOM 0 HB2 SER A 51 -5.039 -2.452 0.112 1.00 10.00 H new ATOM 0 HB3 SER A 51 -5.357 -3.804 1.181 1.00 10.00 H new ATOM 0 HG SER A 51 -4.767 -1.768 2.758 1.00 10.00 H new ATOM 849 N SER A 52 -2.601 -1.724 -0.567 1.00 10.00 N ATOM 850 CA SER A 52 -1.840 -0.700 -1.240 1.00 10.00 C ATOM 851 C SER A 52 -2.750 0.430 -1.754 1.00 10.00 C ATOM 852 O SER A 52 -3.873 0.189 -2.199 1.00 10.00 O ATOM 853 CB SER A 52 -1.021 -1.361 -2.351 1.00 10.00 C ATOM 854 OG SER A 52 -1.619 -2.603 -2.782 1.00 10.00 O ATOM 0 H SER A 52 -3.164 -2.309 -1.185 1.00 10.00 H new ATOM 0 HA SER A 52 -1.154 -0.220 -0.542 1.00 10.00 H new ATOM 0 HB2 SER A 52 -0.941 -0.681 -3.199 1.00 10.00 H new ATOM 0 HB3 SER A 52 -0.008 -1.548 -1.995 1.00 10.00 H new ATOM 0 HG SER A 52 -1.073 -2.999 -3.493 1.00 10.00 H new ATOM 860 N ILE A 53 -2.233 1.661 -1.680 1.00 10.00 N ATOM 861 CA ILE A 53 -2.960 2.870 -2.055 1.00 10.00 C ATOM 862 C ILE A 53 -2.347 3.455 -3.333 1.00 10.00 C ATOM 863 O ILE A 53 -1.251 3.073 -3.699 1.00 10.00 O ATOM 864 CB ILE A 53 -2.918 3.915 -0.886 1.00 10.00 C ATOM 865 CG1 ILE A 53 -3.565 3.354 0.393 1.00 10.00 C ATOM 866 CG2 ILE A 53 -3.616 5.210 -1.272 1.00 10.00 C ATOM 867 CD1 ILE A 53 -2.729 2.323 1.129 1.00 10.00 C ATOM 0 H ILE A 53 -1.284 1.844 -1.353 1.00 10.00 H new ATOM 0 HA ILE A 53 -4.004 2.622 -2.246 1.00 10.00 H new ATOM 0 HB ILE A 53 -1.866 4.123 -0.691 1.00 10.00 H new ATOM 0 HG12 ILE A 53 -3.775 4.182 1.070 1.00 10.00 H new ATOM 0 HG13 ILE A 53 -4.523 2.905 0.132 1.00 10.00 H new ATOM 0 HG21 ILE A 53 -3.568 5.911 -0.439 1.00 10.00 H new ATOM 0 HG22 ILE A 53 -3.122 5.644 -2.141 1.00 10.00 H new ATOM 0 HG23 ILE A 53 -4.659 5.003 -1.513 1.00 10.00 H new ATOM 0 HD11 ILE A 53 -3.265 1.986 2.016 1.00 10.00 H new ATOM 0 HD12 ILE A 53 -2.540 1.473 0.474 1.00 10.00 H new ATOM 0 HD13 ILE A 53 -1.780 2.769 1.427 1.00 10.00 H new ATOM 879 N CYS A 54 -3.028 4.385 -3.999 1.00 10.00 N ATOM 880 CA CYS A 54 -2.519 4.952 -5.239 1.00 10.00 C ATOM 881 C CYS A 54 -2.199 6.460 -5.121 1.00 10.00 C ATOM 882 O CYS A 54 -2.714 7.150 -4.242 1.00 10.00 O ATOM 883 CB CYS A 54 -3.501 4.653 -6.366 1.00 10.00 C ATOM 884 SG CYS A 54 -5.209 5.102 -6.008 1.00 10.00 S ATOM 0 H CYS A 54 -3.929 4.758 -3.700 1.00 10.00 H new ATOM 0 HA CYS A 54 -1.564 4.479 -5.468 1.00 10.00 H new ATOM 0 HB2 CYS A 54 -3.179 5.184 -7.262 1.00 10.00 H new ATOM 0 HB3 CYS A 54 -3.459 3.588 -6.595 1.00 10.00 H new ATOM 0 HG CYS A 54 -5.768 4.159 -5.309 1.00 10.00 H new ATOM 889 N SER A 55 -1.319 6.924 -6.024 1.00 10.00 N ATOM 890 CA SER A 55 -0.794 8.309 -6.074 1.00 10.00 C ATOM 891 C SER A 55 -1.822 9.407 -5.818 1.00 10.00 C ATOM 892 O SER A 55 -1.702 10.138 -4.843 1.00 10.00 O ATOM 893 CB SER A 55 -0.142 8.536 -7.432 1.00 10.00 C ATOM 894 OG SER A 55 -1.008 8.156 -8.481 1.00 10.00 O ATOM 0 H SER A 55 -0.939 6.333 -6.763 1.00 10.00 H new ATOM 0 HA SER A 55 -0.081 8.387 -5.254 1.00 10.00 H new ATOM 0 HB2 SER A 55 0.125 9.587 -7.540 1.00 10.00 H new ATOM 0 HB3 SER A 55 0.784 7.964 -7.495 1.00 10.00 H new ATOM 0 HG SER A 55 -1.202 8.935 -9.043 1.00 10.00 H new ATOM 900 N GLU A 56 -2.761 9.532 -6.751 1.00 10.00 N ATOM 901 CA GLU A 56 -3.873 10.502 -6.745 1.00 10.00 C ATOM 902 C GLU A 56 -4.365 10.950 -5.362 1.00 10.00 C ATOM 903 O GLU A 56 -4.890 12.047 -5.224 1.00 10.00 O ATOM 904 CB GLU A 56 -5.046 9.862 -7.495 1.00 10.00 C ATOM 905 CG GLU A 56 -4.923 8.344 -7.559 1.00 10.00 C ATOM 906 CD GLU A 56 -6.228 7.624 -7.808 1.00 10.00 C ATOM 907 OE1 GLU A 56 -6.660 7.565 -8.973 1.00 10.00 O ATOM 908 OE2 GLU A 56 -6.805 7.067 -6.835 1.00 10.00 O ATOM 0 H GLU A 56 -2.776 8.934 -7.577 1.00 10.00 H new ATOM 0 HA GLU A 56 -3.489 11.407 -7.216 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -5.981 10.129 -7.002 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.093 10.265 -8.507 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.220 8.081 -8.350 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -4.497 7.986 -6.622 1.00 10.00 H new ATOM 915 N HIS A 57 -4.210 10.117 -4.353 1.00 10.00 N ATOM 916 CA HIS A 57 -4.689 10.450 -3.018 1.00 10.00 C ATOM 917 C HIS A 57 -3.736 11.356 -2.238 1.00 10.00 C ATOM 918 O HIS A 57 -4.146 11.976 -1.254 1.00 10.00 O ATOM 919 CB HIS A 57 -4.980 9.166 -2.250 1.00 10.00 C ATOM 920 CG HIS A 57 -6.032 8.350 -2.927 1.00 10.00 C ATOM 921 ND1 HIS A 57 -7.279 8.840 -3.251 1.00 10.00 N ATOM 922 CD2 HIS A 57 -5.991 7.082 -3.407 1.00 10.00 C ATOM 923 CE1 HIS A 57 -7.939 7.884 -3.908 1.00 10.00 C ATOM 924 NE2 HIS A 57 -7.202 6.789 -4.036 1.00 10.00 N ATOM 0 H HIS A 57 -3.758 9.206 -4.427 1.00 10.00 H new ATOM 0 HA HIS A 57 -5.606 11.027 -3.136 1.00 10.00 H new ATOM 0 HB2 HIS A 57 -4.066 8.580 -2.159 1.00 10.00 H new ATOM 0 HB3 HIS A 57 -5.303 9.411 -1.238 1.00 10.00 H new ATOM 0 HD2 HIS A 57 -5.154 6.406 -3.317 1.00 10.00 H new ATOM 0 HE1 HIS A 57 -8.945 7.989 -4.287 1.00 10.00 H new ATOM 0 HE2 HIS A 57 -7.464 5.918 -4.496 1.00 10.00 H new ATOM 932 N PHE A 58 -2.486 11.460 -2.667 1.00 10.00 N ATOM 933 CA PHE A 58 -1.526 12.311 -1.976 1.00 10.00 C ATOM 934 C PHE A 58 -0.841 13.235 -2.950 1.00 10.00 C ATOM 935 O PHE A 58 -0.886 13.037 -4.163 1.00 10.00 O ATOM 936 CB PHE A 58 -0.438 11.522 -1.224 1.00 10.00 C ATOM 937 CG PHE A 58 -0.640 10.041 -1.164 1.00 10.00 C ATOM 938 CD1 PHE A 58 -1.522 9.471 -0.260 1.00 10.00 C ATOM 939 CD2 PHE A 58 0.081 9.216 -2.004 1.00 10.00 C ATOM 940 CE1 PHE A 58 -1.680 8.104 -0.204 1.00 10.00 C ATOM 941 CE2 PHE A 58 -0.074 7.853 -1.950 1.00 10.00 C ATOM 942 CZ PHE A 58 -0.955 7.293 -1.051 1.00 10.00 C ATOM 0 H PHE A 58 -2.115 10.971 -3.482 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.108 12.871 -1.244 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.523 11.721 -1.698 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.376 11.904 -0.205 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -2.090 10.104 0.406 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.774 9.647 -2.711 1.00 10.00 H new ATOM 0 HE1 PHE A 58 -2.371 7.668 0.502 1.00 10.00 H new ATOM 0 HE2 PHE A 58 0.496 7.219 -2.613 1.00 10.00 H new ATOM 0 HZ PHE A 58 -1.077 6.221 -1.010 1.00 10.00 H new ATOM 952 N THR A 59 -0.210 14.248 -2.403 1.00 10.00 N ATOM 953 CA THR A 59 0.528 15.195 -3.188 1.00 10.00 C ATOM 954 C THR A 59 1.873 14.604 -3.530 1.00 10.00 C ATOM 955 O THR A 59 2.411 13.804 -2.766 1.00 10.00 O ATOM 956 CB THR A 59 0.717 16.504 -2.413 1.00 10.00 C ATOM 957 OG1 THR A 59 0.835 16.228 -1.009 1.00 10.00 O ATOM 958 CG2 THR A 59 -0.455 17.433 -2.654 1.00 10.00 C ATOM 0 H THR A 59 -0.197 14.434 -1.400 1.00 10.00 H new ATOM 0 HA THR A 59 -0.025 15.414 -4.101 1.00 10.00 H new ATOM 0 HB THR A 59 1.628 16.988 -2.763 1.00 10.00 H new ATOM 0 HG1 THR A 59 0.957 17.068 -0.520 1.00 10.00 H new ATOM 0 HG21 THR A 59 -0.306 18.358 -2.097 1.00 10.00 H new ATOM 0 HG22 THR A 59 -0.528 17.658 -3.718 1.00 10.00 H new ATOM 0 HG23 THR A 59 -1.375 16.952 -2.320 1.00 10.00 H new ATOM 966 N PRO A 60 2.411 14.956 -4.698 1.00 10.00 N ATOM 967 CA PRO A 60 3.721 14.497 -5.157 1.00 10.00 C ATOM 968 C PRO A 60 4.763 14.618 -4.061 1.00 10.00 C ATOM 969 O PRO A 60 5.654 13.786 -3.928 1.00 10.00 O ATOM 970 CB PRO A 60 4.044 15.464 -6.308 1.00 10.00 C ATOM 971 CG PRO A 60 2.969 16.501 -6.272 1.00 10.00 C ATOM 972 CD PRO A 60 1.780 15.819 -5.693 1.00 10.00 C ATOM 0 HA PRO A 60 3.720 13.448 -5.452 1.00 10.00 H new ATOM 0 HB2 PRO A 60 5.028 15.914 -6.178 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.056 14.944 -7.266 1.00 10.00 H new ATOM 0 HG2 PRO A 60 3.267 17.355 -5.663 1.00 10.00 H new ATOM 0 HG3 PRO A 60 2.756 16.881 -7.271 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.079 16.523 -5.244 1.00 10.00 H new ATOM 0 HD3 PRO A 60 1.226 15.251 -6.440 1.00 10.00 H new ATOM 980 N ASP A 61 4.607 15.659 -3.262 1.00 10.00 N ATOM 981 CA ASP A 61 5.510 15.925 -2.149 1.00 10.00 C ATOM 982 C ASP A 61 5.532 14.756 -1.175 1.00 10.00 C ATOM 983 O ASP A 61 6.591 14.329 -0.739 1.00 10.00 O ATOM 984 CB ASP A 61 5.082 17.180 -1.387 1.00 10.00 C ATOM 985 CG ASP A 61 4.559 18.275 -2.293 1.00 10.00 C ATOM 986 OD1 ASP A 61 3.348 18.274 -2.591 1.00 10.00 O ATOM 987 OD2 ASP A 61 5.352 19.145 -2.710 1.00 10.00 O ATOM 0 H ASP A 61 3.856 16.342 -3.363 1.00 10.00 H new ATOM 0 HA ASP A 61 6.505 16.071 -2.570 1.00 10.00 H new ATOM 0 HB2 ASP A 61 4.310 16.914 -0.665 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.931 17.561 -0.820 1.00 10.00 H new ATOM 992 N SER A 62 4.352 14.239 -0.851 1.00 10.00 N ATOM 993 CA SER A 62 4.218 13.139 0.104 1.00 10.00 C ATOM 994 C SER A 62 4.208 11.786 -0.589 1.00 10.00 C ATOM 995 O SER A 62 4.077 10.759 0.058 1.00 10.00 O ATOM 996 CB SER A 62 2.928 13.299 0.903 1.00 10.00 C ATOM 997 OG SER A 62 3.120 12.920 2.256 1.00 10.00 O ATOM 0 H SER A 62 3.467 14.566 -1.238 1.00 10.00 H new ATOM 0 HA SER A 62 5.081 13.177 0.768 1.00 10.00 H new ATOM 0 HB2 SER A 62 2.592 14.335 0.856 1.00 10.00 H new ATOM 0 HB3 SER A 62 2.142 12.689 0.458 1.00 10.00 H new ATOM 0 HG SER A 62 2.280 12.572 2.621 1.00 10.00 H new ATOM 1003 N PHE A 63 4.344 11.818 -1.898 1.00 10.00 N ATOM 1004 CA PHE A 63 4.313 10.627 -2.754 1.00 10.00 C ATOM 1005 C PHE A 63 4.873 9.335 -2.114 1.00 10.00 C ATOM 1006 O PHE A 63 4.127 8.370 -1.948 1.00 10.00 O ATOM 1007 CB PHE A 63 5.059 10.917 -4.047 1.00 10.00 C ATOM 1008 CG PHE A 63 4.378 10.393 -5.273 1.00 10.00 C ATOM 1009 CD1 PHE A 63 3.467 9.357 -5.182 1.00 10.00 C ATOM 1010 CD2 PHE A 63 4.661 10.928 -6.520 1.00 10.00 C ATOM 1011 CE1 PHE A 63 2.852 8.862 -6.307 1.00 10.00 C ATOM 1012 CE2 PHE A 63 4.044 10.438 -7.653 1.00 10.00 C ATOM 1013 CZ PHE A 63 3.138 9.401 -7.546 1.00 10.00 C ATOM 0 H PHE A 63 4.482 12.685 -2.417 1.00 10.00 H new ATOM 0 HA PHE A 63 3.257 10.425 -2.932 1.00 10.00 H new ATOM 0 HB2 PHE A 63 5.186 11.995 -4.147 1.00 10.00 H new ATOM 0 HB3 PHE A 63 6.057 10.483 -3.984 1.00 10.00 H new ATOM 0 HD1 PHE A 63 3.236 8.932 -4.216 1.00 10.00 H new ATOM 0 HD2 PHE A 63 5.372 11.737 -6.606 1.00 10.00 H new ATOM 0 HE1 PHE A 63 2.144 8.051 -6.222 1.00 10.00 H new ATOM 0 HE2 PHE A 63 4.269 10.864 -8.620 1.00 10.00 H new ATOM 0 HZ PHE A 63 2.654 9.012 -8.430 1.00 10.00 H new ATOM 1023 N LYS A 64 6.167 9.303 -1.767 1.00 10.00 N ATOM 1024 CA LYS A 64 6.776 8.085 -1.194 1.00 10.00 C ATOM 1025 C LYS A 64 8.233 8.332 -0.781 1.00 10.00 C ATOM 1026 O LYS A 64 8.533 9.331 -0.143 1.00 10.00 O ATOM 1027 CB LYS A 64 6.691 6.889 -2.171 1.00 10.00 C ATOM 1028 CG LYS A 64 7.462 7.052 -3.483 1.00 10.00 C ATOM 1029 CD LYS A 64 6.706 7.870 -4.513 1.00 10.00 C ATOM 1030 CE LYS A 64 6.161 7.007 -5.640 1.00 10.00 C ATOM 1031 NZ LYS A 64 7.241 6.330 -6.401 1.00 10.00 N ATOM 0 H LYS A 64 6.807 10.091 -1.869 1.00 10.00 H new ATOM 0 HA LYS A 64 6.203 7.833 -0.302 1.00 10.00 H new ATOM 0 HB2 LYS A 64 7.061 5.999 -1.661 1.00 10.00 H new ATOM 0 HB3 LYS A 64 5.642 6.709 -2.407 1.00 10.00 H new ATOM 0 HG2 LYS A 64 8.420 7.530 -3.279 1.00 10.00 H new ATOM 0 HG3 LYS A 64 7.679 6.067 -3.896 1.00 10.00 H new ATOM 0 HD2 LYS A 64 5.883 8.393 -4.027 1.00 10.00 H new ATOM 0 HD3 LYS A 64 7.367 8.631 -4.927 1.00 10.00 H new ATOM 0 HE2 LYS A 64 5.485 6.258 -5.227 1.00 10.00 H new ATOM 0 HE3 LYS A 64 5.574 7.626 -6.318 1.00 10.00 H new ATOM 0 HZ1 LYS A 64 7.150 6.559 -7.411 1.00 10.00 H new ATOM 0 HZ2 LYS A 64 8.166 6.655 -6.055 1.00 10.00 H new ATOM 0 HZ3 LYS A 64 7.165 5.301 -6.271 1.00 10.00 H new ATOM 1045 N ARG A 65 9.139 7.420 -1.145 1.00 10.00 N ATOM 1046 CA ARG A 65 10.559 7.561 -0.801 1.00 10.00 C ATOM 1047 C ARG A 65 11.201 8.740 -1.534 1.00 10.00 C ATOM 1048 O ARG A 65 12.312 9.148 -1.215 1.00 10.00 O ATOM 1049 CB ARG A 65 11.340 6.259 -1.063 1.00 10.00 C ATOM 1050 CG ARG A 65 10.945 5.513 -2.329 1.00 10.00 C ATOM 1051 CD ARG A 65 11.165 4.007 -2.182 1.00 10.00 C ATOM 1052 NE ARG A 65 12.581 3.620 -2.315 1.00 10.00 N ATOM 1053 CZ ARG A 65 13.104 2.475 -1.843 1.00 10.00 C ATOM 1054 NH1 ARG A 65 12.354 1.637 -1.129 1.00 10.00 N ATOM 1055 NH2 ARG A 65 14.385 2.179 -2.078 1.00 10.00 N ATOM 0 H ARG A 65 8.917 6.578 -1.676 1.00 10.00 H new ATOM 0 HA ARG A 65 10.608 7.767 0.268 1.00 10.00 H new ATOM 0 HB2 ARG A 65 12.403 6.495 -1.116 1.00 10.00 H new ATOM 0 HB3 ARG A 65 11.203 5.594 -0.210 1.00 10.00 H new ATOM 0 HG2 ARG A 65 9.897 5.708 -2.556 1.00 10.00 H new ATOM 0 HG3 ARG A 65 11.529 5.887 -3.170 1.00 10.00 H new ATOM 0 HD2 ARG A 65 10.795 3.684 -1.209 1.00 10.00 H new ATOM 0 HD3 ARG A 65 10.578 3.483 -2.936 1.00 10.00 H new ATOM 0 HE ARG A 65 13.207 4.265 -2.798 1.00 10.00 H new ATOM 0 HH11 ARG A 65 11.378 1.863 -0.938 1.00 10.00 H new ATOM 0 HH12 ARG A 65 12.756 0.770 -0.773 1.00 10.00 H new ATOM 0 HH21 ARG A 65 14.967 2.822 -2.616 1.00 10.00 H new ATOM 0 HH22 ARG A 65 14.782 1.310 -1.720 1.00 10.00 H new ATOM 1069 N GLU A 66 10.485 9.287 -2.507 1.00 10.00 N ATOM 1070 CA GLU A 66 10.953 10.440 -3.269 1.00 10.00 C ATOM 1071 C GLU A 66 10.467 11.733 -2.604 1.00 10.00 C ATOM 1072 O GLU A 66 10.604 12.825 -3.160 1.00 10.00 O ATOM 1073 CB GLU A 66 10.472 10.363 -4.731 1.00 10.00 C ATOM 1074 CG GLU A 66 11.103 9.225 -5.519 1.00 10.00 C ATOM 1075 CD GLU A 66 10.093 8.464 -6.355 1.00 10.00 C ATOM 1076 OE1 GLU A 66 9.857 8.857 -7.517 1.00 10.00 O ATOM 1077 OE2 GLU A 66 9.532 7.470 -5.848 1.00 10.00 O ATOM 0 H GLU A 66 9.566 8.946 -2.791 1.00 10.00 H new ATOM 0 HA GLU A 66 12.043 10.436 -3.277 1.00 10.00 H new ATOM 0 HB2 GLU A 66 9.388 10.245 -4.743 1.00 10.00 H new ATOM 0 HB3 GLU A 66 10.696 11.307 -5.229 1.00 10.00 H new ATOM 0 HG2 GLU A 66 11.880 9.626 -6.170 1.00 10.00 H new ATOM 0 HG3 GLU A 66 11.590 8.536 -4.829 1.00 10.00 H new ATOM 1084 N SER A 67 9.874 11.584 -1.415 1.00 10.00 N ATOM 1085 CA SER A 67 9.325 12.696 -0.650 1.00 10.00 C ATOM 1086 C SER A 67 10.430 13.554 -0.007 1.00 10.00 C ATOM 1087 O SER A 67 11.171 14.248 -0.703 1.00 10.00 O ATOM 1088 CB SER A 67 8.362 12.115 0.400 1.00 10.00 C ATOM 1089 OG SER A 67 8.029 13.029 1.428 1.00 10.00 O ATOM 0 H SER A 67 9.763 10.679 -0.957 1.00 10.00 H new ATOM 0 HA SER A 67 8.784 13.370 -1.314 1.00 10.00 H new ATOM 0 HB2 SER A 67 7.448 11.791 -0.097 1.00 10.00 H new ATOM 0 HB3 SER A 67 8.814 11.229 0.845 1.00 10.00 H new ATOM 0 HG SER A 67 8.108 12.586 2.298 1.00 10.00 H new ATOM 1095 N ASN A 68 10.531 13.506 1.314 1.00 10.00 N ATOM 1096 CA ASN A 68 11.518 14.289 2.038 1.00 10.00 C ATOM 1097 C ASN A 68 12.860 13.578 2.086 1.00 10.00 C ATOM 1098 O ASN A 68 13.802 13.947 1.380 1.00 10.00 O ATOM 1099 CB ASN A 68 11.032 14.554 3.463 1.00 10.00 C ATOM 1100 CG ASN A 68 11.187 16.006 3.873 1.00 10.00 C ATOM 1101 OD1 ASN A 68 10.318 16.830 3.598 1.00 10.00 O ATOM 1102 ND2 ASN A 68 12.287 16.333 4.535 1.00 10.00 N ATOM 0 H ASN A 68 9.936 12.928 1.908 1.00 10.00 H new ATOM 0 HA ASN A 68 11.647 15.234 1.510 1.00 10.00 H new ATOM 0 HB2 ASN A 68 9.983 14.268 3.544 1.00 10.00 H new ATOM 0 HB3 ASN A 68 11.589 13.923 4.156 1.00 10.00 H new ATOM 0 HD21 ASN A 68 12.434 17.297 4.835 1.00 10.00 H new ATOM 0 HD22 ASN A 68 12.986 15.621 4.745 1.00 10.00 H new ATOM 1109 N ASN A 69 12.932 12.547 2.910 1.00 10.00 N ATOM 1110 CA ASN A 69 14.158 11.783 3.077 1.00 10.00 C ATOM 1111 C ASN A 69 14.057 10.430 2.375 1.00 10.00 C ATOM 1112 O ASN A 69 14.775 10.166 1.415 1.00 10.00 O ATOM 1113 CB ASN A 69 14.491 11.599 4.572 1.00 10.00 C ATOM 1114 CG ASN A 69 13.437 10.815 5.340 1.00 10.00 C ATOM 1115 OD1 ASN A 69 12.237 10.951 5.090 1.00 10.00 O ATOM 1116 ND2 ASN A 69 13.875 9.967 6.252 1.00 10.00 N ATOM 0 H ASN A 69 12.151 12.218 3.477 1.00 10.00 H new ATOM 0 HA ASN A 69 14.970 12.345 2.615 1.00 10.00 H new ATOM 0 HB2 ASN A 69 15.449 11.087 4.662 1.00 10.00 H new ATOM 0 HB3 ASN A 69 14.609 12.580 5.033 1.00 10.00 H new ATOM 0 HD21 ASN A 69 13.213 9.396 6.778 1.00 10.00 H new ATOM 0 HD22 ASN A 69 14.876 9.882 6.431 1.00 10.00 H new ATOM 1123 N LYS A 70 13.168 9.578 2.866 1.00 10.00 N ATOM 1124 CA LYS A 70 12.979 8.261 2.297 1.00 10.00 C ATOM 1125 C LYS A 70 11.519 7.826 2.418 1.00 10.00 C ATOM 1126 O LYS A 70 11.162 6.723 2.015 1.00 10.00 O ATOM 1127 CB LYS A 70 13.913 7.257 2.984 1.00 10.00 C ATOM 1128 CG LYS A 70 14.520 6.234 2.026 1.00 10.00 C ATOM 1129 CD LYS A 70 15.714 5.511 2.645 1.00 10.00 C ATOM 1130 CE LYS A 70 16.934 6.416 2.770 1.00 10.00 C ATOM 1131 NZ LYS A 70 17.518 6.769 1.447 1.00 10.00 N ATOM 0 H LYS A 70 12.565 9.782 3.663 1.00 10.00 H new ATOM 0 HA LYS A 70 13.228 8.295 1.236 1.00 10.00 H new ATOM 0 HB2 LYS A 70 14.717 7.801 3.479 1.00 10.00 H new ATOM 0 HB3 LYS A 70 13.359 6.731 3.761 1.00 10.00 H new ATOM 0 HG2 LYS A 70 13.760 5.505 1.745 1.00 10.00 H new ATOM 0 HG3 LYS A 70 14.834 6.736 1.111 1.00 10.00 H new ATOM 0 HD2 LYS A 70 15.439 5.137 3.631 1.00 10.00 H new ATOM 0 HD3 LYS A 70 15.968 4.644 2.035 1.00 10.00 H new ATOM 0 HE2 LYS A 70 16.653 7.329 3.295 1.00 10.00 H new ATOM 0 HE3 LYS A 70 17.691 5.919 3.377 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 18.442 7.225 1.586 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 17.639 5.906 0.880 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 16.881 7.423 0.950 1.00 10.00 H new ATOM 1145 N LEU A 71 10.681 8.694 2.982 1.00 10.00 N ATOM 1146 CA LEU A 71 9.263 8.391 3.142 1.00 10.00 C ATOM 1147 C LEU A 71 8.426 9.666 3.082 1.00 10.00 C ATOM 1148 O LEU A 71 8.975 10.768 3.009 1.00 10.00 O ATOM 1149 CB LEU A 71 9.010 7.651 4.463 1.00 10.00 C ATOM 1150 CG LEU A 71 8.315 6.285 4.349 1.00 10.00 C ATOM 1151 CD1 LEU A 71 7.019 6.280 5.136 1.00 10.00 C ATOM 1152 CD2 LEU A 71 8.042 5.914 2.898 1.00 10.00 C ATOM 0 H LEU A 71 10.960 9.610 3.334 1.00 10.00 H new ATOM 0 HA LEU A 71 8.964 7.742 2.319 1.00 10.00 H new ATOM 0 HB2 LEU A 71 9.967 7.509 4.965 1.00 10.00 H new ATOM 0 HB3 LEU A 71 8.405 8.291 5.105 1.00 10.00 H new ATOM 0 HG LEU A 71 8.991 5.539 4.767 1.00 10.00 H new ATOM 0 HD11 LEU A 71 6.541 5.305 5.044 1.00 10.00 H new ATOM 0 HD12 LEU A 71 7.230 6.483 6.186 1.00 10.00 H new ATOM 0 HD13 LEU A 71 6.353 7.049 4.745 1.00 10.00 H new ATOM 0 HD21 LEU A 71 7.550 4.942 2.857 1.00 10.00 H new ATOM 0 HD22 LEU A 71 7.397 6.667 2.445 1.00 10.00 H new ATOM 0 HD23 LEU A 71 8.984 5.867 2.351 1.00 10.00 H new ATOM 1164 N LEU A 72 7.102 9.503 3.123 1.00 10.00 N ATOM 1165 CA LEU A 72 6.168 10.630 3.049 1.00 10.00 C ATOM 1166 C LEU A 72 6.354 11.593 4.211 1.00 10.00 C ATOM 1167 O LEU A 72 6.997 11.266 5.207 1.00 10.00 O ATOM 1168 CB LEU A 72 4.711 10.158 3.079 1.00 10.00 C ATOM 1169 CG LEU A 72 4.459 8.678 2.770 1.00 10.00 C ATOM 1170 CD1 LEU A 72 4.168 7.908 4.047 1.00 10.00 C ATOM 1171 CD2 LEU A 72 3.299 8.523 1.799 1.00 10.00 C ATOM 0 H LEU A 72 6.649 8.593 3.208 1.00 10.00 H new ATOM 0 HA LEU A 72 6.385 11.132 2.106 1.00 10.00 H new ATOM 0 HB2 LEU A 72 4.304 10.373 4.067 1.00 10.00 H new ATOM 0 HB3 LEU A 72 4.145 10.756 2.364 1.00 10.00 H new ATOM 0 HG LEU A 72 5.360 8.271 2.310 1.00 10.00 H new ATOM 0 HD11 LEU A 72 3.992 6.859 3.807 1.00 10.00 H new ATOM 0 HD12 LEU A 72 5.020 7.988 4.722 1.00 10.00 H new ATOM 0 HD13 LEU A 72 3.283 8.324 4.529 1.00 10.00 H new ATOM 0 HD21 LEU A 72 3.136 7.465 1.592 1.00 10.00 H new ATOM 0 HD22 LEU A 72 2.397 8.950 2.238 1.00 10.00 H new ATOM 0 HD23 LEU A 72 3.531 9.043 0.869 1.00 10.00 H new ATOM 1183 N LYS A 73 5.755 12.769 4.085 1.00 10.00 N ATOM 1184 CA LYS A 73 5.836 13.761 5.141 1.00 10.00 C ATOM 1185 C LYS A 73 4.887 13.381 6.265 1.00 10.00 C ATOM 1186 O LYS A 73 3.695 13.195 6.052 1.00 10.00 O ATOM 1187 CB LYS A 73 5.533 15.199 4.668 1.00 10.00 C ATOM 1188 CG LYS A 73 5.015 15.345 3.240 1.00 10.00 C ATOM 1189 CD LYS A 73 6.094 15.112 2.195 1.00 10.00 C ATOM 1190 CE LYS A 73 7.247 16.101 2.292 1.00 10.00 C ATOM 1191 NZ LYS A 73 6.812 17.511 2.084 1.00 10.00 N ATOM 0 H LYS A 73 5.213 13.055 3.269 1.00 10.00 H new ATOM 0 HA LYS A 73 6.869 13.764 5.488 1.00 10.00 H new ATOM 0 HB2 LYS A 73 4.798 15.634 5.345 1.00 10.00 H new ATOM 0 HB3 LYS A 73 6.444 15.790 4.764 1.00 10.00 H new ATOM 0 HG2 LYS A 73 4.201 14.638 3.079 1.00 10.00 H new ATOM 0 HG3 LYS A 73 4.599 16.344 3.110 1.00 10.00 H new ATOM 0 HD2 LYS A 73 6.483 14.099 2.303 1.00 10.00 H new ATOM 0 HD3 LYS A 73 5.649 15.179 1.202 1.00 10.00 H new ATOM 0 HE2 LYS A 73 7.717 16.010 3.271 1.00 10.00 H new ATOM 0 HE3 LYS A 73 8.004 15.845 1.550 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 7.627 18.086 1.790 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 6.081 17.543 1.345 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 6.423 17.889 2.972 1.00 10.00 H new ATOM 1205 N GLU A 74 5.454 13.220 7.442 1.00 10.00 N ATOM 1206 CA GLU A 74 4.723 12.866 8.655 1.00 10.00 C ATOM 1207 C GLU A 74 3.498 13.754 8.887 1.00 10.00 C ATOM 1208 O GLU A 74 2.532 13.349 9.526 1.00 10.00 O ATOM 1209 CB GLU A 74 5.678 12.977 9.836 1.00 10.00 C ATOM 1210 CG GLU A 74 5.028 12.752 11.181 1.00 10.00 C ATOM 1211 CD GLU A 74 6.024 12.283 12.217 1.00 10.00 C ATOM 1212 OE1 GLU A 74 6.309 11.066 12.261 1.00 10.00 O ATOM 1213 OE2 GLU A 74 6.543 13.129 12.977 1.00 10.00 O ATOM 0 H GLU A 74 6.457 13.332 7.592 1.00 10.00 H new ATOM 0 HA GLU A 74 4.350 11.847 8.546 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.482 12.252 9.708 1.00 10.00 H new ATOM 0 HB3 GLU A 74 6.136 13.966 9.827 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.562 13.678 11.518 1.00 10.00 H new ATOM 0 HG3 GLU A 74 4.233 12.013 11.081 1.00 10.00 H new ATOM 1220 N ASN A 75 3.562 14.969 8.396 1.00 10.00 N ATOM 1221 CA ASN A 75 2.458 15.912 8.538 1.00 10.00 C ATOM 1222 C ASN A 75 1.571 15.963 7.295 1.00 10.00 C ATOM 1223 O ASN A 75 0.828 16.925 7.088 1.00 10.00 O ATOM 1224 CB ASN A 75 3.007 17.295 8.818 1.00 10.00 C ATOM 1225 CG ASN A 75 2.951 17.656 10.285 1.00 10.00 C ATOM 1226 OD1 ASN A 75 2.968 16.646 11.146 1.00 10.00 O flip ATOM 1227 ND2 ASN A 75 2.898 18.833 10.644 1.00 10.00 N flip ATOM 0 H ASN A 75 4.368 15.337 7.891 1.00 10.00 H new ATOM 0 HA ASN A 75 1.842 15.568 9.369 1.00 10.00 H new ATOM 0 HB2 ASN A 75 4.040 17.349 8.473 1.00 10.00 H new ATOM 0 HB3 ASN A 75 2.441 18.030 8.245 1.00 10.00 H new ATOM 0 HD21 ASN A 75 2.887 19.578 9.948 1.00 10.00 H new ATOM 0 HD22 ASN A 75 2.865 19.062 11.637 1.00 10.00 H new ATOM 1234 N ALA A 76 1.660 14.941 6.469 1.00 10.00 N ATOM 1235 CA ALA A 76 0.861 14.869 5.246 1.00 10.00 C ATOM 1236 C ALA A 76 0.039 13.590 5.180 1.00 10.00 C ATOM 1237 O ALA A 76 0.563 12.483 5.309 1.00 10.00 O ATOM 1238 CB ALA A 76 1.742 14.983 4.012 1.00 10.00 C ATOM 0 H ALA A 76 2.277 14.143 6.616 1.00 10.00 H new ATOM 0 HA ALA A 76 0.171 15.713 5.268 1.00 10.00 H new ATOM 0 HB1 ALA A 76 1.123 14.927 3.117 1.00 10.00 H new ATOM 0 HB2 ALA A 76 2.270 15.936 4.029 1.00 10.00 H new ATOM 0 HB3 ALA A 76 2.466 14.168 4.005 1.00 10.00 H new ATOM 1244 N VAL A 77 -1.251 13.758 4.944 1.00 10.00 N ATOM 1245 CA VAL A 77 -2.177 12.643 4.855 1.00 10.00 C ATOM 1246 C VAL A 77 -3.107 12.823 3.648 1.00 10.00 C ATOM 1247 O VAL A 77 -3.547 13.938 3.360 1.00 10.00 O ATOM 1248 CB VAL A 77 -2.986 12.495 6.175 1.00 10.00 C ATOM 1249 CG1 VAL A 77 -3.358 13.846 6.755 1.00 10.00 C ATOM 1250 CG2 VAL A 77 -4.238 11.653 5.985 1.00 10.00 C ATOM 0 H VAL A 77 -1.685 14.671 4.809 1.00 10.00 H new ATOM 0 HA VAL A 77 -1.609 11.724 4.711 1.00 10.00 H new ATOM 0 HB VAL A 77 -2.333 11.980 6.879 1.00 10.00 H new ATOM 0 HG11 VAL A 77 -3.922 13.703 7.677 1.00 10.00 H new ATOM 0 HG12 VAL A 77 -2.452 14.412 6.969 1.00 10.00 H new ATOM 0 HG13 VAL A 77 -3.968 14.395 6.037 1.00 10.00 H new ATOM 0 HG21 VAL A 77 -4.772 11.576 6.932 1.00 10.00 H new ATOM 0 HG22 VAL A 77 -4.883 12.122 5.242 1.00 10.00 H new ATOM 0 HG23 VAL A 77 -3.958 10.656 5.645 1.00 10.00 H new ATOM 1260 N PRO A 78 -3.374 11.726 2.912 1.00 10.00 N ATOM 1261 CA PRO A 78 -4.235 11.710 1.720 1.00 10.00 C ATOM 1262 C PRO A 78 -5.573 12.404 1.928 1.00 10.00 C ATOM 1263 O PRO A 78 -6.496 11.840 2.509 1.00 10.00 O ATOM 1264 CB PRO A 78 -4.463 10.213 1.452 1.00 10.00 C ATOM 1265 CG PRO A 78 -3.921 9.503 2.639 1.00 10.00 C ATOM 1266 CD PRO A 78 -2.850 10.391 3.189 1.00 10.00 C ATOM 0 HA PRO A 78 -3.765 12.249 0.898 1.00 10.00 H new ATOM 0 HB2 PRO A 78 -5.523 9.997 1.317 1.00 10.00 H new ATOM 0 HB3 PRO A 78 -3.955 9.897 0.541 1.00 10.00 H new ATOM 0 HG2 PRO A 78 -4.701 9.326 3.379 1.00 10.00 H new ATOM 0 HG3 PRO A 78 -3.518 8.529 2.362 1.00 10.00 H new ATOM 0 HD2 PRO A 78 -2.696 10.229 4.256 1.00 10.00 H new ATOM 0 HD3 PRO A 78 -1.891 10.222 2.699 1.00 10.00 H new ATOM 1274 N THR A 79 -5.669 13.626 1.436 1.00 10.00 N ATOM 1275 CA THR A 79 -6.886 14.410 1.556 1.00 10.00 C ATOM 1276 C THR A 79 -7.617 14.463 0.212 1.00 10.00 C ATOM 1277 O THR A 79 -8.790 14.816 0.138 1.00 10.00 O ATOM 1278 CB THR A 79 -6.567 15.835 2.065 1.00 10.00 C ATOM 1279 OG1 THR A 79 -7.735 16.435 2.640 1.00 10.00 O ATOM 1280 CG2 THR A 79 -6.028 16.716 0.945 1.00 10.00 C ATOM 0 H THR A 79 -4.911 14.101 0.945 1.00 10.00 H new ATOM 0 HA THR A 79 -7.539 13.930 2.284 1.00 10.00 H new ATOM 0 HB THR A 79 -5.796 15.748 2.831 1.00 10.00 H new ATOM 0 HG1 THR A 79 -7.517 17.336 2.959 1.00 10.00 H new ATOM 0 HG21 THR A 79 -5.814 17.711 1.336 1.00 10.00 H new ATOM 0 HG22 THR A 79 -5.113 16.278 0.546 1.00 10.00 H new ATOM 0 HG23 THR A 79 -6.771 16.790 0.151 1.00 10.00 H new ATOM 1288 N ILE A 80 -6.901 14.072 -0.837 1.00 10.00 N ATOM 1289 CA ILE A 80 -7.423 14.082 -2.207 1.00 10.00 C ATOM 1290 C ILE A 80 -8.436 12.952 -2.452 1.00 10.00 C ATOM 1291 O ILE A 80 -8.871 12.744 -3.584 1.00 10.00 O ATOM 1292 CB ILE A 80 -6.279 13.956 -3.243 1.00 10.00 C ATOM 1293 CG1 ILE A 80 -5.000 14.662 -2.744 1.00 10.00 C ATOM 1294 CG2 ILE A 80 -6.714 14.509 -4.598 1.00 10.00 C ATOM 1295 CD1 ILE A 80 -4.864 16.108 -3.174 1.00 10.00 C ATOM 0 H ILE A 80 -5.940 13.738 -0.765 1.00 10.00 H new ATOM 0 HA ILE A 80 -7.930 15.039 -2.330 1.00 10.00 H new ATOM 0 HB ILE A 80 -6.050 12.898 -3.366 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -4.979 14.618 -1.655 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -4.133 14.108 -3.102 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -5.895 14.411 -5.311 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -7.578 13.951 -4.958 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -6.980 15.561 -4.493 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -3.936 16.520 -2.777 1.00 10.00 H new ATOM 0 HD12 ILE A 80 -4.849 16.164 -4.262 1.00 10.00 H new ATOM 0 HD13 ILE A 80 -5.709 16.682 -2.793 1.00 10.00 H new ATOM 1307 N PHE A 81 -8.784 12.210 -1.397 1.00 10.00 N ATOM 1308 CA PHE A 81 -9.737 11.096 -1.502 1.00 10.00 C ATOM 1309 C PHE A 81 -10.971 11.470 -2.319 1.00 10.00 C ATOM 1310 O PHE A 81 -11.201 10.904 -3.388 1.00 10.00 O ATOM 1311 CB PHE A 81 -10.167 10.615 -0.111 1.00 10.00 C ATOM 1312 CG PHE A 81 -9.159 9.733 0.585 1.00 10.00 C ATOM 1313 CD1 PHE A 81 -8.041 9.252 -0.081 1.00 10.00 C ATOM 1314 CD2 PHE A 81 -9.343 9.372 1.908 1.00 10.00 C ATOM 1315 CE1 PHE A 81 -7.133 8.434 0.558 1.00 10.00 C ATOM 1316 CE2 PHE A 81 -8.433 8.555 2.552 1.00 10.00 C ATOM 1317 CZ PHE A 81 -7.327 8.087 1.876 1.00 10.00 C ATOM 0 H PHE A 81 -8.420 12.360 -0.456 1.00 10.00 H new ATOM 0 HA PHE A 81 -9.221 10.289 -2.021 1.00 10.00 H new ATOM 0 HB2 PHE A 81 -10.364 11.485 0.516 1.00 10.00 H new ATOM 0 HB3 PHE A 81 -11.106 10.069 -0.203 1.00 10.00 H new ATOM 0 HD1 PHE A 81 -7.880 9.522 -1.114 1.00 10.00 H new ATOM 0 HD2 PHE A 81 -10.208 9.733 2.444 1.00 10.00 H new ATOM 0 HE1 PHE A 81 -6.269 8.066 0.024 1.00 10.00 H new ATOM 0 HE2 PHE A 81 -8.589 8.283 3.586 1.00 10.00 H new ATOM 0 HZ PHE A 81 -6.615 7.450 2.379 1.00 10.00 H new ATOM 1327 N LEU A 82 -11.746 12.425 -1.826 1.00 10.00 N ATOM 1328 CA LEU A 82 -12.953 12.866 -2.509 1.00 10.00 C ATOM 1329 C LEU A 82 -13.395 14.210 -1.949 1.00 10.00 C ATOM 1330 O LEU A 82 -12.891 14.648 -0.916 1.00 10.00 O ATOM 1331 CB LEU A 82 -14.076 11.835 -2.326 1.00 10.00 C ATOM 1332 CG LEU A 82 -14.274 10.829 -3.470 1.00 10.00 C ATOM 1333 CD1 LEU A 82 -15.604 10.112 -3.310 1.00 10.00 C ATOM 1334 CD2 LEU A 82 -14.197 11.504 -4.835 1.00 10.00 C ATOM 0 H LEU A 82 -11.558 12.912 -0.950 1.00 10.00 H new ATOM 0 HA LEU A 82 -12.739 12.967 -3.573 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -13.881 11.277 -1.410 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -15.013 12.373 -2.178 1.00 10.00 H new ATOM 0 HG LEU A 82 -13.464 10.101 -3.417 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -15.735 9.401 -4.126 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -15.618 9.579 -2.359 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -16.415 10.840 -3.330 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -14.342 10.759 -5.618 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -14.974 12.264 -4.909 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -13.220 11.971 -4.955 1.00 10.00 H new