USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 649 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 69 CYS SG : rot 166:sc= -1.09 USER MOD Set 1.2: A 72 CYS SG : rot -38:sc= 0.465 USER MOD Set 1.3: A 82 ASN : amide:sc= -7! C(o=-10!,f=-16!) USER MOD Set 1.4: A 91 HIS : no HE2:sc= -1.75! C(o=-10!,f=-17!) USER MOD Set 1.5: A 94 CYS SG : rot 177:sc= -1.08 USER MOD Set 2.1: A 36 CYS SG : rot 152:sc= -0.0702 USER MOD Set 2.2: A 39 CYS SG : rot -60:sc= -0.48 USER MOD Set 2.3: A 57 CYS SG : rot -126:sc= -0.185 USER MOD Set 2.4: A 60 CYS SG : rot 81:sc= -1.13 USER MOD Set 3.1: A 8 CYS SG : rot -3:sc= -0.856 USER MOD Set 3.2: A 11 CYS SG : rot 180:sc= -1.7! USER MOD Set 3.3: A 30 HIS : no HE2:sc= -3.93! C(o=-7.8!,f=-13!) USER MOD Set 3.4: A 33 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0196 (180deg=-0.272) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -1.29! K(o=-1.3!,f=-0.48) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= -0.0922 (180deg=-1.04) USER MOD Single : A 26 ASN : amide:sc= -0.0213 X(o=-0.021,f=-0.51) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0746) USER MOD Single : A 41 HIS : no HD1:sc= -6.68! C(o=-6.7!,f=-4.1!) USER MOD Single : A 45 ASN : amide:sc=-0.00602 X(o=-0.006,f=-0.22) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= -0.369 (180deg=-0.925) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= -1.33 (180deg=-3.07!) USER MOD Single : A 58 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.52) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= -0.0407 (180deg=-0.314) USER MOD Single : A 61 THR OG1 : rot -23:sc= -0.815 USER MOD Single : A 68 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00629) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0968) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.451 USER MOD Single : A 86 LYS NZ :NH3+ -158:sc= -0.12 (180deg=-0.778) USER MOD Single : A 88 THR OG1 : rot 31:sc= 0.0519 USER MOD Single : A 92 LYS NZ :NH3+ 159:sc= -0.0432 (180deg=-0.343) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.544 17.798 -12.610 1.00 0.00 N ATOM 60 CA GLY A 7 -4.976 17.221 -11.351 1.00 0.00 C ATOM 61 C GLY A 7 -4.722 15.729 -11.280 1.00 0.00 C ATOM 62 O GLY A 7 -4.060 15.162 -12.150 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.455 17.715 -10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.040 17.412 -11.213 1.00 0.00 H new ATOM 66 N CYS A 8 -5.246 15.090 -10.240 1.00 0.00 N ATOM 67 CA CYS A 8 -5.071 13.654 -10.056 1.00 0.00 C ATOM 68 C CYS A 8 -6.321 12.893 -10.489 1.00 0.00 C ATOM 69 O CYS A 8 -7.434 13.413 -10.415 1.00 0.00 O ATOM 70 CB CYS A 8 -4.752 13.342 -8.592 1.00 0.00 C ATOM 71 SG CYS A 8 -4.140 11.649 -8.310 1.00 0.00 S ATOM 0 H CYS A 8 -5.796 15.544 -9.511 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.237 13.332 -10.680 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.005 14.051 -8.235 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.650 13.497 -7.994 1.00 0.00 H new ATOM 0 HG CYS A 8 -4.152 10.991 -9.431 1.00 0.00 H new ATOM 76 N VAL A 9 -6.128 11.658 -10.942 1.00 0.00 N ATOM 77 CA VAL A 9 -7.238 10.825 -11.386 1.00 0.00 C ATOM 78 C VAL A 9 -7.651 9.836 -10.302 1.00 0.00 C ATOM 79 O VAL A 9 -8.689 9.183 -10.406 1.00 0.00 O ATOM 80 CB VAL A 9 -6.879 10.046 -12.666 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.459 11.002 -13.772 1.00 0.00 C ATOM 82 CG2 VAL A 9 -5.782 9.031 -12.381 1.00 0.00 C ATOM 0 H VAL A 9 -5.213 11.213 -11.011 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.071 11.495 -11.599 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.764 9.505 -13.003 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.209 10.434 -14.668 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.279 11.686 -13.992 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.588 11.572 -13.449 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.541 8.490 -13.296 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.893 9.548 -12.020 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.125 8.327 -11.623 1.00 0.00 H new ATOM 92 N GLU A 10 -6.831 9.731 -9.261 1.00 0.00 N ATOM 93 CA GLU A 10 -7.111 8.820 -8.157 1.00 0.00 C ATOM 94 C GLU A 10 -8.003 9.488 -7.114 1.00 0.00 C ATOM 95 O GLU A 10 -9.089 8.997 -6.803 1.00 0.00 O ATOM 96 CB GLU A 10 -5.807 8.355 -7.506 1.00 0.00 C ATOM 97 CG GLU A 10 -5.281 7.044 -8.065 1.00 0.00 C ATOM 98 CD GLU A 10 -6.099 5.849 -7.617 1.00 0.00 C ATOM 99 OE1 GLU A 10 -6.328 5.711 -6.397 1.00 0.00 O ATOM 100 OE2 GLU A 10 -6.509 5.051 -8.486 1.00 0.00 O ATOM 0 H GLU A 10 -5.968 10.265 -9.159 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.636 7.954 -8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.049 9.127 -7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.965 8.245 -6.433 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.281 7.092 -9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.246 6.909 -7.752 1.00 0.00 H new ATOM 107 N CYS A 11 -7.537 10.611 -6.577 1.00 0.00 N ATOM 108 CA CYS A 11 -8.290 11.346 -5.569 1.00 0.00 C ATOM 109 C CYS A 11 -8.971 12.567 -6.182 1.00 0.00 C ATOM 110 O CYS A 11 -9.506 13.416 -5.468 1.00 0.00 O ATOM 111 CB CYS A 11 -7.367 11.783 -4.430 1.00 0.00 C ATOM 112 SG CYS A 11 -5.894 12.705 -4.978 1.00 0.00 S ATOM 0 H CYS A 11 -6.641 11.031 -6.824 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.059 10.683 -5.171 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.933 12.404 -3.736 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -7.045 10.900 -3.878 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.177 13.032 -3.944 1.00 0.00 H new ATOM 117 N ARG A 12 -8.948 12.647 -7.508 1.00 0.00 N ATOM 118 CA ARG A 12 -9.562 13.763 -8.217 1.00 0.00 C ATOM 119 C ARG A 12 -9.197 15.091 -7.561 1.00 0.00 C ATOM 120 O ARG A 12 -10.005 16.019 -7.520 1.00 0.00 O ATOM 121 CB ARG A 12 -11.083 13.599 -8.251 1.00 0.00 C ATOM 122 CG ARG A 12 -11.562 12.567 -9.258 1.00 0.00 C ATOM 123 CD ARG A 12 -11.680 13.163 -10.652 1.00 0.00 C ATOM 124 NE ARG A 12 -11.937 12.141 -11.664 1.00 0.00 N ATOM 125 CZ ARG A 12 -13.147 11.671 -11.943 1.00 0.00 C ATOM 126 NH1 ARG A 12 -14.207 12.129 -11.290 1.00 0.00 N ATOM 127 NH2 ARG A 12 -13.301 10.742 -12.878 1.00 0.00 N ATOM 0 H ARG A 12 -8.511 11.952 -8.113 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.181 13.765 -9.238 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.431 13.314 -7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.539 14.561 -8.485 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.868 11.727 -9.278 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.530 12.174 -8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.486 13.897 -10.665 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.761 13.694 -10.898 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.143 11.768 -12.185 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.094 12.844 -10.572 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.135 11.766 -11.506 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.489 10.388 -13.384 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.231 10.382 -13.091 1.00 0.00 H new ATOM 141 N LYS A 13 -7.975 15.174 -7.046 1.00 0.00 N ATOM 142 CA LYS A 13 -7.501 16.388 -6.392 1.00 0.00 C ATOM 143 C LYS A 13 -6.408 17.060 -7.217 1.00 0.00 C ATOM 144 O LYS A 13 -5.728 16.427 -8.025 1.00 0.00 O ATOM 145 CB LYS A 13 -6.972 16.064 -4.993 1.00 0.00 C ATOM 146 CG LYS A 13 -8.064 15.734 -3.991 1.00 0.00 C ATOM 147 CD LYS A 13 -8.539 16.976 -3.254 1.00 0.00 C ATOM 148 CE LYS A 13 -9.801 16.700 -2.452 1.00 0.00 C ATOM 149 NZ LYS A 13 -10.971 16.432 -3.333 1.00 0.00 N ATOM 0 H LYS A 13 -7.295 14.414 -7.069 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.342 17.077 -6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.285 15.220 -5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.398 16.914 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.905 15.272 -4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.691 15.004 -3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.752 17.327 -2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.730 17.775 -3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.635 15.844 -1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.018 17.554 -1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.848 16.517 -2.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.984 17.121 -4.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.899 15.470 -3.723 1.00 0.00 H new ATOM 163 N PRO A 14 -6.233 18.374 -7.011 1.00 0.00 N ATOM 164 CA PRO A 14 -5.222 19.160 -7.725 1.00 0.00 C ATOM 165 C PRO A 14 -3.802 18.803 -7.298 1.00 0.00 C ATOM 166 O PRO A 14 -3.542 18.554 -6.120 1.00 0.00 O ATOM 167 CB PRO A 14 -5.552 20.602 -7.333 1.00 0.00 C ATOM 168 CG PRO A 14 -6.245 20.489 -6.019 1.00 0.00 C ATOM 169 CD PRO A 14 -7.007 19.193 -6.063 1.00 0.00 C ATOM 0 HA PRO A 14 -5.249 18.979 -8.800 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.649 21.207 -7.253 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.190 21.078 -8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.528 20.492 -5.198 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.917 21.332 -5.859 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.062 18.726 -5.080 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.032 19.341 -6.403 1.00 0.00 H new ATOM 177 N ILE A 15 -2.888 18.781 -8.262 1.00 0.00 N ATOM 178 CA ILE A 15 -1.494 18.456 -7.984 1.00 0.00 C ATOM 179 C ILE A 15 -0.618 19.703 -8.039 1.00 0.00 C ATOM 180 O ILE A 15 -0.710 20.498 -8.973 1.00 0.00 O ATOM 181 CB ILE A 15 -0.949 17.415 -8.980 1.00 0.00 C ATOM 182 CG1 ILE A 15 -1.776 16.129 -8.910 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.516 17.125 -8.694 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.535 15.192 -10.072 1.00 0.00 C ATOM 0 H ILE A 15 -3.087 18.984 -9.242 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.462 18.036 -6.979 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.028 17.822 -9.988 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.546 15.609 -7.980 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.834 16.388 -8.876 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.887 16.388 -9.406 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.094 18.044 -8.789 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.619 16.735 -7.681 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.154 14.302 -9.956 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.793 15.695 -11.004 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.484 14.903 -10.094 1.00 0.00 H new ATOM 196 N GLY A 16 0.235 19.866 -7.032 1.00 0.00 N ATOM 197 CA GLY A 16 1.117 21.017 -6.985 1.00 0.00 C ATOM 198 C GLY A 16 2.415 20.783 -7.733 1.00 0.00 C ATOM 199 O GLY A 16 2.879 19.649 -7.845 1.00 0.00 O ATOM 0 H GLY A 16 0.331 19.221 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.606 21.880 -7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.339 21.259 -5.946 1.00 0.00 H new ATOM 203 N ALA A 17 3.002 21.859 -8.247 1.00 0.00 N ATOM 204 CA ALA A 17 4.254 21.765 -8.988 1.00 0.00 C ATOM 205 C ALA A 17 5.365 21.191 -8.116 1.00 0.00 C ATOM 206 O ALA A 17 6.061 20.257 -8.517 1.00 0.00 O ATOM 207 CB ALA A 17 4.654 23.132 -9.523 1.00 0.00 C ATOM 0 H ALA A 17 2.631 22.805 -8.164 1.00 0.00 H new ATOM 0 HA ALA A 17 4.101 21.088 -9.829 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.591 23.047 -10.074 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.874 23.505 -10.187 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.784 23.824 -8.691 1.00 0.00 H new ATOM 213 N ASP A 18 5.527 21.754 -6.924 1.00 0.00 N ATOM 214 CA ASP A 18 6.554 21.297 -5.995 1.00 0.00 C ATOM 215 C ASP A 18 6.391 19.811 -5.693 1.00 0.00 C ATOM 216 O ASP A 18 7.375 19.086 -5.544 1.00 0.00 O ATOM 217 CB ASP A 18 6.494 22.104 -4.698 1.00 0.00 C ATOM 218 CG ASP A 18 7.561 21.685 -3.705 1.00 0.00 C ATOM 219 OD1 ASP A 18 7.505 20.534 -3.225 1.00 0.00 O ATOM 220 OD2 ASP A 18 8.452 22.509 -3.410 1.00 0.00 O ATOM 0 H ASP A 18 4.960 22.528 -6.578 1.00 0.00 H new ATOM 0 HA ASP A 18 7.526 21.449 -6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.611 23.163 -4.927 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.511 21.983 -4.243 1.00 0.00 H new ATOM 225 N SER A 19 5.143 19.364 -5.602 1.00 0.00 N ATOM 226 CA SER A 19 4.851 17.965 -5.312 1.00 0.00 C ATOM 227 C SER A 19 5.166 17.084 -6.517 1.00 0.00 C ATOM 228 O SER A 19 4.714 17.348 -7.631 1.00 0.00 O ATOM 229 CB SER A 19 3.382 17.801 -4.916 1.00 0.00 C ATOM 230 OG SER A 19 3.087 18.530 -3.738 1.00 0.00 O ATOM 0 H SER A 19 4.317 19.950 -5.725 1.00 0.00 H new ATOM 0 HA SER A 19 5.482 17.652 -4.480 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.742 18.144 -5.729 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.160 16.745 -4.759 1.00 0.00 H new ATOM 0 HG SER A 19 2.142 18.410 -3.507 1.00 0.00 H new ATOM 236 N LYS A 20 5.946 16.033 -6.285 1.00 0.00 N ATOM 237 CA LYS A 20 6.323 15.110 -7.348 1.00 0.00 C ATOM 238 C LYS A 20 5.089 14.477 -7.983 1.00 0.00 C ATOM 239 O LYS A 20 4.462 13.596 -7.396 1.00 0.00 O ATOM 240 CB LYS A 20 7.245 14.017 -6.800 1.00 0.00 C ATOM 241 CG LYS A 20 8.549 14.550 -6.234 1.00 0.00 C ATOM 242 CD LYS A 20 9.661 13.519 -6.330 1.00 0.00 C ATOM 243 CE LYS A 20 11.006 14.110 -5.936 1.00 0.00 C ATOM 244 NZ LYS A 20 11.093 14.365 -4.471 1.00 0.00 N ATOM 0 H LYS A 20 6.329 15.800 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 20 6.854 15.675 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.718 13.466 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.467 13.308 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.840 15.451 -6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.405 14.835 -5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.431 12.673 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.716 13.135 -7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.803 13.429 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.165 15.043 -6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.025 14.768 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.349 15.035 -4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.967 13.471 -3.955 1.00 0.00 H new ATOM 258 N GLU A 21 4.747 14.933 -9.184 1.00 0.00 N ATOM 259 CA GLU A 21 3.587 14.410 -9.897 1.00 0.00 C ATOM 260 C GLU A 21 4.018 13.487 -11.033 1.00 0.00 C ATOM 261 O GLU A 21 5.138 13.582 -11.535 1.00 0.00 O ATOM 262 CB GLU A 21 2.741 15.558 -10.451 1.00 0.00 C ATOM 263 CG GLU A 21 3.340 16.217 -11.682 1.00 0.00 C ATOM 264 CD GLU A 21 4.392 17.252 -11.335 1.00 0.00 C ATOM 265 OE1 GLU A 21 4.019 18.326 -10.819 1.00 0.00 O ATOM 266 OE2 GLU A 21 5.588 16.989 -11.581 1.00 0.00 O ATOM 0 H GLU A 21 5.256 15.663 -9.683 1.00 0.00 H new ATOM 0 HA GLU A 21 2.988 13.834 -9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.749 15.180 -10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.611 16.311 -9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.784 15.452 -12.319 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.546 16.691 -12.259 1.00 0.00 H new ATOM 273 N VAL A 22 3.120 12.592 -11.433 1.00 0.00 N ATOM 274 CA VAL A 22 3.406 11.651 -12.510 1.00 0.00 C ATOM 275 C VAL A 22 2.510 11.908 -13.716 1.00 0.00 C ATOM 276 O VAL A 22 1.418 12.462 -13.586 1.00 0.00 O ATOM 277 CB VAL A 22 3.218 10.194 -12.047 1.00 0.00 C ATOM 278 CG1 VAL A 22 3.702 9.227 -13.116 1.00 0.00 C ATOM 279 CG2 VAL A 22 3.946 9.956 -10.732 1.00 0.00 C ATOM 0 H VAL A 22 2.189 12.499 -11.028 1.00 0.00 H new ATOM 0 HA VAL A 22 4.447 11.803 -12.795 1.00 0.00 H new ATOM 0 HB VAL A 22 2.155 10.016 -11.886 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.561 8.203 -12.771 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.132 9.383 -14.032 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.760 9.401 -13.312 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.803 8.922 -10.419 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.010 10.151 -10.865 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.547 10.624 -9.969 1.00 0.00 H new ATOM 289 N HIS A 23 2.979 11.503 -14.892 1.00 0.00 N ATOM 290 CA HIS A 23 2.220 11.688 -16.123 1.00 0.00 C ATOM 291 C HIS A 23 2.344 10.466 -17.028 1.00 0.00 C ATOM 292 O HIS A 23 3.427 10.158 -17.527 1.00 0.00 O ATOM 293 CB HIS A 23 2.704 12.935 -16.863 1.00 0.00 C ATOM 294 CG HIS A 23 2.225 13.016 -18.280 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.867 13.755 -19.251 1.00 0.00 N ATOM 296 CD2 HIS A 23 1.160 12.442 -18.888 1.00 0.00 C ATOM 297 CE1 HIS A 23 2.217 13.634 -20.395 1.00 0.00 C ATOM 298 NE2 HIS A 23 1.178 12.842 -20.201 1.00 0.00 N ATOM 0 H HIS A 23 3.881 11.044 -15.018 1.00 0.00 H new ATOM 0 HA HIS A 23 1.171 11.816 -15.857 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.368 13.821 -16.324 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.794 12.952 -16.855 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.432 11.791 -18.426 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.489 14.103 -21.329 1.00 0.00 H new ATOM 0 HE2 HIS A 23 0.499 12.571 -20.912 1.00 0.00 H new ATOM 307 N TYR A 24 1.230 9.773 -17.233 1.00 0.00 N ATOM 308 CA TYR A 24 1.215 8.582 -18.075 1.00 0.00 C ATOM 309 C TYR A 24 -0.169 8.357 -18.676 1.00 0.00 C ATOM 310 O TYR A 24 -1.188 8.578 -18.021 1.00 0.00 O ATOM 311 CB TYR A 24 1.636 7.354 -17.265 1.00 0.00 C ATOM 312 CG TYR A 24 2.349 6.303 -18.086 1.00 0.00 C ATOM 313 CD1 TYR A 24 3.629 6.528 -18.578 1.00 0.00 C ATOM 314 CD2 TYR A 24 1.743 5.086 -18.370 1.00 0.00 C ATOM 315 CE1 TYR A 24 4.284 5.571 -19.329 1.00 0.00 C ATOM 316 CE2 TYR A 24 2.391 4.123 -19.119 1.00 0.00 C ATOM 317 CZ TYR A 24 3.661 4.370 -19.596 1.00 0.00 C ATOM 318 OH TYR A 24 4.309 3.414 -20.344 1.00 0.00 O ATOM 0 H TYR A 24 0.326 10.015 -16.828 1.00 0.00 H new ATOM 0 HA TYR A 24 1.925 8.734 -18.888 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.288 7.672 -16.451 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.752 6.909 -16.809 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.120 7.467 -18.370 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.748 4.889 -17.999 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.278 5.762 -19.705 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.905 3.182 -19.330 1.00 0.00 H new ATOM 0 HH TYR A 24 3.733 2.627 -20.439 1.00 0.00 H new ATOM 328 N LYS A 25 -0.198 7.916 -19.929 1.00 0.00 N ATOM 329 CA LYS A 25 -1.455 7.659 -20.622 1.00 0.00 C ATOM 330 C LYS A 25 -2.401 8.848 -20.492 1.00 0.00 C ATOM 331 O LYS A 25 -3.579 8.684 -20.178 1.00 0.00 O ATOM 332 CB LYS A 25 -2.121 6.400 -20.062 1.00 0.00 C ATOM 333 CG LYS A 25 -1.300 5.138 -20.262 1.00 0.00 C ATOM 334 CD LYS A 25 -2.188 3.919 -20.449 1.00 0.00 C ATOM 335 CE LYS A 25 -2.965 3.595 -19.182 1.00 0.00 C ATOM 336 NZ LYS A 25 -2.061 3.382 -18.017 1.00 0.00 N ATOM 0 H LYS A 25 0.636 7.729 -20.486 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.234 7.507 -21.679 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.304 6.539 -18.997 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.093 6.271 -20.538 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.655 5.257 -21.133 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.649 4.986 -19.401 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.884 4.097 -21.268 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.576 3.062 -20.731 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.656 4.409 -18.962 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.567 2.701 -19.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.499 2.708 -17.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.152 3.001 -18.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.901 4.288 -17.532 1.00 0.00 H new ATOM 350 N ASN A 26 -1.877 10.045 -20.736 1.00 0.00 N ATOM 351 CA ASN A 26 -2.676 11.262 -20.647 1.00 0.00 C ATOM 352 C ASN A 26 -3.332 11.382 -19.274 1.00 0.00 C ATOM 353 O ASN A 26 -4.422 11.939 -19.143 1.00 0.00 O ATOM 354 CB ASN A 26 -3.748 11.274 -21.739 1.00 0.00 C ATOM 355 CG ASN A 26 -3.204 10.844 -23.087 1.00 0.00 C ATOM 356 OD1 ASN A 26 -2.034 11.071 -23.399 1.00 0.00 O ATOM 357 ND2 ASN A 26 -4.052 10.219 -23.895 1.00 0.00 N ATOM 0 H ASN A 26 -0.903 10.198 -20.997 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.012 12.115 -20.789 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.564 10.611 -21.451 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.167 12.277 -21.822 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.743 9.906 -24.815 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.013 10.052 -23.596 1.00 0.00 H new ATOM 364 N ARG A 27 -2.660 10.857 -18.255 1.00 0.00 N ATOM 365 CA ARG A 27 -3.178 10.905 -16.893 1.00 0.00 C ATOM 366 C ARG A 27 -2.136 11.478 -15.936 1.00 0.00 C ATOM 367 O ARG A 27 -1.028 11.826 -16.344 1.00 0.00 O ATOM 368 CB ARG A 27 -3.594 9.507 -16.433 1.00 0.00 C ATOM 369 CG ARG A 27 -4.731 8.911 -17.246 1.00 0.00 C ATOM 370 CD ARG A 27 -5.582 7.970 -16.408 1.00 0.00 C ATOM 371 NE ARG A 27 -6.721 8.654 -15.802 1.00 0.00 N ATOM 372 CZ ARG A 27 -7.884 8.833 -16.419 1.00 0.00 C ATOM 373 NH1 ARG A 27 -8.061 8.379 -17.652 1.00 0.00 N ATOM 374 NH2 ARG A 27 -8.873 9.466 -15.801 1.00 0.00 N ATOM 0 H ARG A 27 -1.756 10.394 -18.347 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.052 11.557 -16.886 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.731 8.843 -16.490 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.893 9.552 -15.386 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.355 9.712 -17.642 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.324 8.371 -18.101 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.941 7.153 -17.033 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.967 7.526 -15.625 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.618 9.014 -14.853 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.303 7.891 -18.129 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.955 8.518 -18.123 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.741 9.815 -14.852 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.766 9.603 -16.275 1.00 0.00 H new ATOM 388 N PHE A 28 -2.501 11.574 -14.662 1.00 0.00 N ATOM 389 CA PHE A 28 -1.599 12.107 -13.647 1.00 0.00 C ATOM 390 C PHE A 28 -1.957 11.568 -12.265 1.00 0.00 C ATOM 391 O PHE A 28 -3.120 11.590 -11.860 1.00 0.00 O ATOM 392 CB PHE A 28 -1.651 13.636 -13.639 1.00 0.00 C ATOM 393 CG PHE A 28 -1.469 14.248 -14.999 1.00 0.00 C ATOM 394 CD1 PHE A 28 -0.202 14.531 -15.482 1.00 0.00 C ATOM 395 CD2 PHE A 28 -2.566 14.542 -15.793 1.00 0.00 C ATOM 396 CE1 PHE A 28 -0.031 15.094 -16.732 1.00 0.00 C ATOM 397 CE2 PHE A 28 -2.401 15.105 -17.045 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.132 15.382 -17.514 1.00 0.00 C ATOM 0 H PHE A 28 -3.414 11.290 -14.308 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.587 11.786 -13.893 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.609 13.957 -13.230 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.876 14.015 -12.972 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.663 14.309 -14.874 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.561 14.329 -15.430 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.963 15.309 -17.097 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.264 15.328 -17.655 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.001 15.823 -18.491 1.00 0.00 H new ATOM 408 N TRP A 29 -0.951 11.083 -11.547 1.00 0.00 N ATOM 409 CA TRP A 29 -1.159 10.538 -10.210 1.00 0.00 C ATOM 410 C TRP A 29 -0.239 11.211 -9.198 1.00 0.00 C ATOM 411 O TRP A 29 0.859 11.654 -9.540 1.00 0.00 O ATOM 412 CB TRP A 29 -0.918 9.027 -10.210 1.00 0.00 C ATOM 413 CG TRP A 29 -1.905 8.269 -11.046 1.00 0.00 C ATOM 414 CD1 TRP A 29 -3.094 7.740 -10.632 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.785 7.953 -12.437 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.721 7.115 -11.682 1.00 0.00 N ATOM 417 CE2 TRP A 29 -2.940 7.232 -12.801 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.817 8.211 -13.411 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -3.149 6.766 -14.096 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -1.026 7.748 -14.696 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.184 7.033 -15.030 1.00 0.00 C ATOM 0 H TRP A 29 0.017 11.056 -11.868 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.191 10.735 -9.921 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.088 8.827 -10.577 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.962 8.659 -9.185 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.484 7.804 -9.627 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.623 6.640 -11.636 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.078 8.762 -13.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -4.040 6.214 -14.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.284 7.941 -15.456 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.318 6.686 -16.044 1.00 0.00 H new ATOM 432 N HIS A 30 -0.692 11.286 -7.950 1.00 0.00 N ATOM 433 CA HIS A 30 0.092 11.906 -6.888 1.00 0.00 C ATOM 434 C HIS A 30 1.273 11.022 -6.498 1.00 0.00 C ATOM 435 O HIS A 30 1.281 9.822 -6.776 1.00 0.00 O ATOM 436 CB HIS A 30 -0.786 12.172 -5.665 1.00 0.00 C ATOM 437 CG HIS A 30 -1.563 13.449 -5.752 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.936 13.489 -5.876 1.00 0.00 N ATOM 439 CD2 HIS A 30 -1.151 14.739 -5.731 1.00 0.00 C ATOM 440 CE1 HIS A 30 -3.335 14.747 -5.929 1.00 0.00 C ATOM 441 NE2 HIS A 30 -2.271 15.526 -5.843 1.00 0.00 N ATOM 0 H HIS A 30 -1.598 10.925 -7.650 1.00 0.00 H new ATOM 0 HA HIS A 30 0.478 12.854 -7.262 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.481 11.342 -5.539 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -0.157 12.199 -4.775 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.548 12.674 -5.920 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -0.132 15.084 -5.643 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.357 15.082 -6.026 1.00 0.00 H new ATOM 449 N ASP A 31 2.268 11.622 -5.854 1.00 0.00 N ATOM 450 CA ASP A 31 3.454 10.889 -5.425 1.00 0.00 C ATOM 451 C ASP A 31 3.081 9.771 -4.456 1.00 0.00 C ATOM 452 O ASP A 31 3.876 8.868 -4.198 1.00 0.00 O ATOM 453 CB ASP A 31 4.456 11.839 -4.768 1.00 0.00 C ATOM 454 CG ASP A 31 3.853 12.604 -3.606 1.00 0.00 C ATOM 455 OD1 ASP A 31 3.009 13.490 -3.854 1.00 0.00 O ATOM 456 OD2 ASP A 31 4.225 12.316 -2.449 1.00 0.00 O ATOM 0 H ASP A 31 2.277 12.614 -5.617 1.00 0.00 H new ATOM 0 HA ASP A 31 3.914 10.442 -6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.316 11.269 -4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.824 12.545 -5.512 1.00 0.00 H new ATOM 461 N THR A 32 1.866 9.840 -3.921 1.00 0.00 N ATOM 462 CA THR A 32 1.388 8.836 -2.978 1.00 0.00 C ATOM 463 C THR A 32 0.307 7.964 -3.605 1.00 0.00 C ATOM 464 O THR A 32 0.000 6.882 -3.104 1.00 0.00 O ATOM 465 CB THR A 32 0.829 9.487 -1.699 1.00 0.00 C ATOM 466 OG1 THR A 32 -0.203 10.421 -2.036 1.00 0.00 O ATOM 467 CG2 THR A 32 1.931 10.198 -0.928 1.00 0.00 C ATOM 0 H THR A 32 1.195 10.581 -4.125 1.00 0.00 H new ATOM 0 HA THR A 32 2.245 8.216 -2.716 1.00 0.00 H new ATOM 0 HB THR A 32 0.415 8.700 -1.068 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.555 10.829 -1.217 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.512 10.650 -0.029 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.701 9.479 -0.648 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.370 10.975 -1.554 1.00 0.00 H new ATOM 475 N CYS A 33 -0.267 8.440 -4.705 1.00 0.00 N ATOM 476 CA CYS A 33 -1.315 7.704 -5.401 1.00 0.00 C ATOM 477 C CYS A 33 -0.717 6.744 -6.426 1.00 0.00 C ATOM 478 O CYS A 33 -1.128 5.588 -6.523 1.00 0.00 O ATOM 479 CB CYS A 33 -2.274 8.674 -6.095 1.00 0.00 C ATOM 480 SG CYS A 33 -3.331 9.619 -4.951 1.00 0.00 S ATOM 0 H CYS A 33 -0.023 9.333 -5.134 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.867 7.123 -4.663 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.694 9.373 -6.698 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.909 8.113 -6.780 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.105 10.413 -5.630 1.00 0.00 H new ATOM 485 N PHE A 34 0.257 7.232 -7.187 1.00 0.00 N ATOM 486 CA PHE A 34 0.913 6.418 -8.204 1.00 0.00 C ATOM 487 C PHE A 34 1.585 5.200 -7.577 1.00 0.00 C ATOM 488 O PHE A 34 2.659 5.307 -6.984 1.00 0.00 O ATOM 489 CB PHE A 34 1.947 7.250 -8.965 1.00 0.00 C ATOM 490 CG PHE A 34 2.571 6.521 -10.120 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.781 5.874 -11.057 1.00 0.00 C ATOM 492 CD2 PHE A 34 3.948 6.482 -10.269 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.352 5.203 -12.121 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.525 5.812 -11.332 1.00 0.00 C ATOM 495 CZ PHE A 34 3.726 5.171 -12.258 1.00 0.00 C ATOM 0 H PHE A 34 0.609 8.187 -7.119 1.00 0.00 H new ATOM 0 HA PHE A 34 0.151 6.071 -8.902 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.470 8.158 -9.334 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.732 7.560 -8.275 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.706 5.895 -10.954 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.578 6.980 -9.547 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.725 4.704 -12.845 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.600 5.790 -11.438 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.175 4.646 -13.088 1.00 0.00 H new ATOM 505 N ARG A 35 0.944 4.044 -7.712 1.00 0.00 N ATOM 506 CA ARG A 35 1.478 2.805 -7.157 1.00 0.00 C ATOM 507 C ARG A 35 0.884 1.592 -7.865 1.00 0.00 C ATOM 508 O ARG A 35 0.067 1.729 -8.777 1.00 0.00 O ATOM 509 CB ARG A 35 1.188 2.727 -5.657 1.00 0.00 C ATOM 510 CG ARG A 35 -0.292 2.620 -5.328 1.00 0.00 C ATOM 511 CD ARG A 35 -0.513 2.051 -3.935 1.00 0.00 C ATOM 512 NE ARG A 35 -0.060 2.966 -2.891 1.00 0.00 N ATOM 513 CZ ARG A 35 -0.816 3.933 -2.383 1.00 0.00 C ATOM 514 NH1 ARG A 35 -2.055 4.109 -2.821 1.00 0.00 N ATOM 515 NH2 ARG A 35 -0.333 4.726 -1.435 1.00 0.00 N ATOM 0 H ARG A 35 0.055 3.939 -8.200 1.00 0.00 H new ATOM 0 HA ARG A 35 2.557 2.802 -7.312 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.708 1.865 -5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.597 3.612 -5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.753 3.605 -5.397 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.785 1.985 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.573 1.837 -3.795 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.018 1.104 -3.842 1.00 0.00 H new ATOM 0 HE ARG A 35 0.889 2.857 -2.532 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.430 3.501 -3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.634 4.852 -2.429 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.620 4.593 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.914 5.468 -1.046 1.00 0.00 H new ATOM 529 N CYS A 36 1.299 0.403 -7.441 1.00 0.00 N ATOM 530 CA CYS A 36 0.810 -0.835 -8.034 1.00 0.00 C ATOM 531 C CYS A 36 -0.642 -1.091 -7.638 1.00 0.00 C ATOM 532 O CYS A 36 -1.191 -0.407 -6.776 1.00 0.00 O ATOM 533 CB CYS A 36 1.684 -2.014 -7.599 1.00 0.00 C ATOM 534 SG CYS A 36 1.553 -3.475 -8.679 1.00 0.00 S ATOM 0 H CYS A 36 1.974 0.271 -6.688 1.00 0.00 H new ATOM 0 HA CYS A 36 0.861 -0.734 -9.118 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.724 -1.690 -7.569 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.410 -2.300 -6.584 1.00 0.00 H new ATOM 0 HG CYS A 36 2.665 -4.146 -8.638 1.00 0.00 H new ATOM 539 N ALA A 37 -1.257 -2.082 -8.276 1.00 0.00 N ATOM 540 CA ALA A 37 -2.643 -2.431 -7.989 1.00 0.00 C ATOM 541 C ALA A 37 -2.736 -3.782 -7.290 1.00 0.00 C ATOM 542 O ALA A 37 -3.751 -4.106 -6.673 1.00 0.00 O ATOM 543 CB ALA A 37 -3.460 -2.440 -9.272 1.00 0.00 C ATOM 0 H ALA A 37 -0.817 -2.657 -8.995 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.051 -1.676 -7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.493 -2.702 -9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.429 -1.451 -9.730 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.044 -3.173 -9.963 1.00 0.00 H new ATOM 549 N LYS A 38 -1.671 -4.570 -7.390 1.00 0.00 N ATOM 550 CA LYS A 38 -1.631 -5.888 -6.767 1.00 0.00 C ATOM 551 C LYS A 38 -0.883 -5.839 -5.439 1.00 0.00 C ATOM 552 O LYS A 38 -1.344 -6.381 -4.434 1.00 0.00 O ATOM 553 CB LYS A 38 -0.964 -6.898 -7.704 1.00 0.00 C ATOM 554 CG LYS A 38 -1.427 -8.328 -7.485 1.00 0.00 C ATOM 555 CD LYS A 38 -1.016 -9.229 -8.637 1.00 0.00 C ATOM 556 CE LYS A 38 -2.023 -9.174 -9.775 1.00 0.00 C ATOM 557 NZ LYS A 38 -3.271 -9.919 -9.448 1.00 0.00 N ATOM 0 H LYS A 38 -0.823 -4.318 -7.897 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.657 -6.203 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.168 -6.613 -8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.116 -6.850 -7.567 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.006 -8.710 -6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.511 -8.348 -7.375 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.035 -8.928 -9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.922 -10.255 -8.282 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.267 -8.135 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.576 -9.593 -10.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.843 -10.033 -10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.027 -10.856 -9.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.816 -9.389 -8.738 1.00 0.00 H new ATOM 571 N CYS A 39 0.275 -5.186 -5.441 1.00 0.00 N ATOM 572 CA CYS A 39 1.087 -5.065 -4.236 1.00 0.00 C ATOM 573 C CYS A 39 0.897 -3.698 -3.586 1.00 0.00 C ATOM 574 O CYS A 39 1.255 -3.495 -2.425 1.00 0.00 O ATOM 575 CB CYS A 39 2.565 -5.283 -4.568 1.00 0.00 C ATOM 576 SG CYS A 39 3.255 -4.057 -5.725 1.00 0.00 S ATOM 0 H CYS A 39 0.672 -4.733 -6.264 1.00 0.00 H new ATOM 0 HA CYS A 39 0.762 -5.831 -3.531 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.142 -5.259 -3.643 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.688 -6.279 -4.994 1.00 0.00 H new ATOM 0 HG CYS A 39 2.604 -4.107 -6.849 1.00 0.00 H new ATOM 581 N LEU A 40 0.331 -2.764 -4.342 1.00 0.00 N ATOM 582 CA LEU A 40 0.092 -1.415 -3.841 1.00 0.00 C ATOM 583 C LEU A 40 1.403 -0.736 -3.457 1.00 0.00 C ATOM 584 O LEU A 40 1.548 -0.227 -2.345 1.00 0.00 O ATOM 585 CB LEU A 40 -0.847 -1.457 -2.633 1.00 0.00 C ATOM 586 CG LEU A 40 -2.316 -1.757 -2.935 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.866 -0.764 -3.947 1.00 0.00 C ATOM 588 CD2 LEU A 40 -2.476 -3.183 -3.442 1.00 0.00 C ATOM 0 H LEU A 40 0.029 -2.916 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.376 -0.836 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.478 -2.211 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.791 -0.496 -2.121 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.885 -1.656 -2.011 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.912 -0.993 -4.150 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.787 0.246 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.294 -0.833 -4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.528 -3.379 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.894 -3.312 -4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.121 -3.881 -2.683 1.00 0.00 H new ATOM 600 N HIS A 41 2.354 -0.732 -4.385 1.00 0.00 N ATOM 601 CA HIS A 41 3.653 -0.113 -4.144 1.00 0.00 C ATOM 602 C HIS A 41 3.888 1.048 -5.106 1.00 0.00 C ATOM 603 O HIS A 41 3.519 0.998 -6.280 1.00 0.00 O ATOM 604 CB HIS A 41 4.770 -1.147 -4.292 1.00 0.00 C ATOM 605 CG HIS A 41 6.143 -0.550 -4.286 1.00 0.00 C ATOM 606 ND1 HIS A 41 7.053 -0.766 -3.272 1.00 0.00 N ATOM 607 CD2 HIS A 41 6.762 0.257 -5.179 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.171 -0.115 -3.541 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.020 0.514 -4.693 1.00 0.00 N ATOM 0 H HIS A 41 2.250 -1.150 -5.310 1.00 0.00 H new ATOM 0 HA HIS A 41 3.660 0.275 -3.125 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.694 -1.871 -3.480 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.625 -1.695 -5.223 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.344 0.630 -6.102 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.057 -0.100 -2.924 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.724 1.096 -5.147 1.00 0.00 H new ATOM 618 N PRO A 42 4.516 2.119 -4.599 1.00 0.00 N ATOM 619 CA PRO A 42 4.813 3.313 -5.396 1.00 0.00 C ATOM 620 C PRO A 42 5.891 3.056 -6.444 1.00 0.00 C ATOM 621 O PRO A 42 7.026 2.713 -6.112 1.00 0.00 O ATOM 622 CB PRO A 42 5.310 4.320 -4.355 1.00 0.00 C ATOM 623 CG PRO A 42 5.839 3.484 -3.242 1.00 0.00 C ATOM 624 CD PRO A 42 4.983 2.248 -3.209 1.00 0.00 C ATOM 0 HA PRO A 42 3.944 3.654 -5.959 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.085 4.966 -4.768 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.503 4.968 -4.014 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.886 3.229 -3.409 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.788 4.019 -2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.552 1.373 -2.894 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.150 2.354 -2.514 1.00 0.00 H new ATOM 632 N LEU A 43 5.528 3.225 -7.711 1.00 0.00 N ATOM 633 CA LEU A 43 6.465 3.012 -8.810 1.00 0.00 C ATOM 634 C LEU A 43 7.056 4.335 -9.285 1.00 0.00 C ATOM 635 O LEU A 43 7.512 4.449 -10.423 1.00 0.00 O ATOM 636 CB LEU A 43 5.765 2.305 -9.972 1.00 0.00 C ATOM 637 CG LEU A 43 5.325 0.864 -9.714 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.448 0.070 -9.065 1.00 0.00 C ATOM 639 CD2 LEU A 43 4.077 0.835 -8.844 1.00 0.00 C ATOM 0 H LEU A 43 4.593 3.509 -8.003 1.00 0.00 H new ATOM 0 HA LEU A 43 7.277 2.383 -8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.887 2.888 -10.249 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.436 2.311 -10.831 1.00 0.00 H new ATOM 0 HG LEU A 43 5.087 0.401 -10.672 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.116 -0.953 -8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.316 0.061 -9.725 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.719 0.532 -8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.778 -0.199 -8.671 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.288 1.317 -7.889 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.270 1.366 -9.348 1.00 0.00 H new ATOM 651 N ALA A 44 7.047 5.331 -8.406 1.00 0.00 N ATOM 652 CA ALA A 44 7.586 6.645 -8.735 1.00 0.00 C ATOM 653 C ALA A 44 9.036 6.543 -9.195 1.00 0.00 C ATOM 654 O ALA A 44 9.375 6.954 -10.304 1.00 0.00 O ATOM 655 CB ALA A 44 7.475 7.576 -7.537 1.00 0.00 C ATOM 0 H ALA A 44 6.672 5.253 -7.460 1.00 0.00 H new ATOM 0 HA ALA A 44 6.999 7.056 -9.556 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.881 8.553 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.428 7.682 -7.254 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.037 7.161 -6.700 1.00 0.00 H new ATOM 661 N ASN A 45 9.888 5.995 -8.335 1.00 0.00 N ATOM 662 CA ASN A 45 11.303 5.841 -8.654 1.00 0.00 C ATOM 663 C ASN A 45 11.567 4.494 -9.321 1.00 0.00 C ATOM 664 O ASN A 45 12.649 4.259 -9.859 1.00 0.00 O ATOM 665 CB ASN A 45 12.150 5.969 -7.386 1.00 0.00 C ATOM 666 CG ASN A 45 12.129 4.706 -6.547 1.00 0.00 C ATOM 667 OD1 ASN A 45 12.955 3.812 -6.730 1.00 0.00 O ATOM 668 ND2 ASN A 45 11.181 4.627 -5.620 1.00 0.00 N ATOM 0 H ASN A 45 9.624 5.650 -7.412 1.00 0.00 H new ATOM 0 HA ASN A 45 11.581 6.632 -9.350 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.179 6.202 -7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.783 6.804 -6.790 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.117 3.801 -5.025 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.517 5.392 -5.503 1.00 0.00 H new ATOM 675 N GLU A 46 10.571 3.615 -9.283 1.00 0.00 N ATOM 676 CA GLU A 46 10.696 2.292 -9.883 1.00 0.00 C ATOM 677 C GLU A 46 9.964 2.231 -11.221 1.00 0.00 C ATOM 678 O GLU A 46 9.212 3.140 -11.574 1.00 0.00 O ATOM 679 CB GLU A 46 10.143 1.224 -8.938 1.00 0.00 C ATOM 680 CG GLU A 46 11.177 0.673 -7.971 1.00 0.00 C ATOM 681 CD GLU A 46 12.425 0.174 -8.673 1.00 0.00 C ATOM 682 OE1 GLU A 46 12.319 -0.244 -9.845 1.00 0.00 O ATOM 683 OE2 GLU A 46 13.508 0.202 -8.052 1.00 0.00 O ATOM 0 H GLU A 46 9.669 3.795 -8.843 1.00 0.00 H new ATOM 0 HA GLU A 46 11.754 2.099 -10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.315 1.648 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.737 0.403 -9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.452 1.450 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.736 -0.143 -7.399 1.00 0.00 H new ATOM 690 N THR A 47 10.191 1.152 -11.964 1.00 0.00 N ATOM 691 CA THR A 47 9.556 0.971 -13.263 1.00 0.00 C ATOM 692 C THR A 47 8.263 0.175 -13.137 1.00 0.00 C ATOM 693 O THR A 47 8.148 -0.714 -12.293 1.00 0.00 O ATOM 694 CB THR A 47 10.494 0.253 -14.252 1.00 0.00 C ATOM 695 OG1 THR A 47 11.816 0.793 -14.154 1.00 0.00 O ATOM 696 CG2 THR A 47 9.987 0.395 -15.679 1.00 0.00 C ATOM 0 H THR A 47 10.810 0.390 -11.688 1.00 0.00 H new ATOM 0 HA THR A 47 9.330 1.966 -13.646 1.00 0.00 H new ATOM 0 HB THR A 47 10.515 -0.806 -13.995 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.406 0.330 -14.785 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.666 -0.120 -16.359 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.992 -0.044 -15.757 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.939 1.451 -15.945 1.00 0.00 H new ATOM 704 N PHE A 48 7.289 0.498 -13.983 1.00 0.00 N ATOM 705 CA PHE A 48 6.002 -0.187 -13.965 1.00 0.00 C ATOM 706 C PHE A 48 5.599 -0.622 -15.371 1.00 0.00 C ATOM 707 O PHE A 48 6.327 -0.393 -16.337 1.00 0.00 O ATOM 708 CB PHE A 48 4.924 0.721 -13.371 1.00 0.00 C ATOM 709 CG PHE A 48 4.478 1.811 -14.303 1.00 0.00 C ATOM 710 CD1 PHE A 48 5.197 2.991 -14.406 1.00 0.00 C ATOM 711 CD2 PHE A 48 3.338 1.655 -15.076 1.00 0.00 C ATOM 712 CE1 PHE A 48 4.789 3.995 -15.264 1.00 0.00 C ATOM 713 CE2 PHE A 48 2.926 2.656 -15.936 1.00 0.00 C ATOM 714 CZ PHE A 48 3.651 3.828 -16.028 1.00 0.00 C ATOM 0 H PHE A 48 7.367 1.230 -14.689 1.00 0.00 H new ATOM 0 HA PHE A 48 6.100 -1.076 -13.342 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.061 0.115 -13.095 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.304 1.171 -12.454 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.087 3.128 -13.809 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.766 0.742 -15.006 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.360 4.909 -15.337 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.038 2.522 -16.536 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.328 4.613 -16.696 1.00 0.00 H new ATOM 724 N VAL A 49 4.433 -1.251 -15.478 1.00 0.00 N ATOM 725 CA VAL A 49 3.931 -1.717 -16.765 1.00 0.00 C ATOM 726 C VAL A 49 2.420 -1.535 -16.864 1.00 0.00 C ATOM 727 O VAL A 49 1.670 -2.009 -16.012 1.00 0.00 O ATOM 728 CB VAL A 49 4.274 -3.201 -16.997 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.815 -3.646 -18.377 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.767 -3.435 -16.821 1.00 0.00 C ATOM 0 H VAL A 49 3.818 -1.450 -14.689 1.00 0.00 H new ATOM 0 HA VAL A 49 4.418 -1.115 -17.532 1.00 0.00 H new ATOM 0 HB VAL A 49 3.745 -3.799 -16.255 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.066 -4.697 -18.523 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.736 -3.515 -18.461 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.314 -3.045 -19.138 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.992 -4.488 -16.988 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.318 -2.828 -17.539 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.062 -3.157 -15.809 1.00 0.00 H new ATOM 740 N ALA A 50 1.981 -0.845 -17.912 1.00 0.00 N ATOM 741 CA ALA A 50 0.559 -0.602 -18.124 1.00 0.00 C ATOM 742 C ALA A 50 -0.053 -1.674 -19.019 1.00 0.00 C ATOM 743 O ALA A 50 0.210 -1.719 -20.221 1.00 0.00 O ATOM 744 CB ALA A 50 0.344 0.778 -18.728 1.00 0.00 C ATOM 0 H ALA A 50 2.589 -0.445 -18.627 1.00 0.00 H new ATOM 0 HA ALA A 50 0.060 -0.645 -17.156 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.722 0.946 -18.881 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.738 1.537 -18.051 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.862 0.841 -19.685 1.00 0.00 H new ATOM 750 N LYS A 51 -0.871 -2.538 -18.426 1.00 0.00 N ATOM 751 CA LYS A 51 -1.521 -3.610 -19.169 1.00 0.00 C ATOM 752 C LYS A 51 -2.954 -3.814 -18.687 1.00 0.00 C ATOM 753 O LYS A 51 -3.211 -3.890 -17.485 1.00 0.00 O ATOM 754 CB LYS A 51 -0.732 -4.913 -19.020 1.00 0.00 C ATOM 755 CG LYS A 51 -0.549 -5.352 -17.578 1.00 0.00 C ATOM 756 CD LYS A 51 0.790 -4.898 -17.022 1.00 0.00 C ATOM 757 CE LYS A 51 1.912 -5.839 -17.434 1.00 0.00 C ATOM 758 NZ LYS A 51 1.729 -7.203 -16.864 1.00 0.00 N ATOM 0 H LYS A 51 -1.099 -2.516 -17.432 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.546 -3.326 -20.221 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.244 -5.703 -19.569 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.248 -4.789 -19.480 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.355 -4.944 -16.968 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.620 -6.438 -17.516 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.010 -3.891 -17.376 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.736 -4.849 -15.934 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.952 -5.902 -18.521 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.867 -5.432 -17.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.608 -7.748 -16.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.496 -7.128 -15.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.955 -7.687 -17.363 1.00 0.00 H new ATOM 772 N ASP A 52 -3.884 -3.902 -19.632 1.00 0.00 N ATOM 773 CA ASP A 52 -5.291 -4.099 -19.304 1.00 0.00 C ATOM 774 C ASP A 52 -5.830 -2.926 -18.491 1.00 0.00 C ATOM 775 O ASP A 52 -6.613 -3.110 -17.561 1.00 0.00 O ATOM 776 CB ASP A 52 -5.478 -5.403 -18.525 1.00 0.00 C ATOM 777 CG ASP A 52 -6.828 -6.042 -18.782 1.00 0.00 C ATOM 778 OD1 ASP A 52 -7.792 -5.300 -19.065 1.00 0.00 O ATOM 779 OD2 ASP A 52 -6.920 -7.285 -18.701 1.00 0.00 O ATOM 0 H ASP A 52 -3.689 -3.840 -20.631 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.850 -4.158 -20.238 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.689 -6.103 -18.800 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.370 -5.204 -17.459 1.00 0.00 H new ATOM 784 N ASN A 53 -5.403 -1.719 -18.850 1.00 0.00 N ATOM 785 CA ASN A 53 -5.841 -0.515 -18.153 1.00 0.00 C ATOM 786 C ASN A 53 -5.607 -0.641 -16.651 1.00 0.00 C ATOM 787 O ASN A 53 -6.403 -0.159 -15.845 1.00 0.00 O ATOM 788 CB ASN A 53 -7.323 -0.252 -18.429 1.00 0.00 C ATOM 789 CG ASN A 53 -7.547 0.464 -19.747 1.00 0.00 C ATOM 790 OD1 ASN A 53 -7.299 1.665 -19.864 1.00 0.00 O ATOM 791 ND2 ASN A 53 -8.019 -0.271 -20.747 1.00 0.00 N ATOM 0 H ASN A 53 -4.755 -1.549 -19.619 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.254 0.325 -18.525 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.862 -1.199 -18.437 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.740 0.345 -17.618 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.190 0.156 -21.657 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.210 -1.263 -20.605 1.00 0.00 H new ATOM 798 N LYS A 54 -4.508 -1.290 -16.282 1.00 0.00 N ATOM 799 CA LYS A 54 -4.166 -1.478 -14.877 1.00 0.00 C ATOM 800 C LYS A 54 -2.664 -1.330 -14.658 1.00 0.00 C ATOM 801 O LYS A 54 -1.860 -1.885 -15.409 1.00 0.00 O ATOM 802 CB LYS A 54 -4.628 -2.856 -14.398 1.00 0.00 C ATOM 803 CG LYS A 54 -6.117 -2.930 -14.105 1.00 0.00 C ATOM 804 CD LYS A 54 -6.452 -4.117 -13.217 1.00 0.00 C ATOM 805 CE LYS A 54 -6.549 -5.405 -14.020 1.00 0.00 C ATOM 806 NZ LYS A 54 -5.226 -5.819 -14.565 1.00 0.00 N ATOM 0 H LYS A 54 -3.839 -1.695 -16.937 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.678 -0.709 -14.299 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.378 -3.598 -15.157 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.075 -3.123 -13.497 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.440 -2.009 -13.620 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.670 -3.007 -15.041 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.688 -4.224 -12.447 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.397 -3.934 -12.705 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.946 -6.199 -13.387 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.254 -5.269 -14.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.179 -6.857 -14.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.104 -5.423 -15.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.469 -5.466 -13.945 1.00 0.00 H new ATOM 820 N ILE A 55 -2.292 -0.580 -13.626 1.00 0.00 N ATOM 821 CA ILE A 55 -0.886 -0.362 -13.309 1.00 0.00 C ATOM 822 C ILE A 55 -0.320 -1.521 -12.494 1.00 0.00 C ATOM 823 O ILE A 55 -0.900 -1.927 -11.487 1.00 0.00 O ATOM 824 CB ILE A 55 -0.682 0.948 -12.526 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.283 2.126 -13.296 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.797 1.182 -12.259 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.557 2.437 -14.586 1.00 0.00 C ATOM 0 H ILE A 55 -2.944 -0.113 -12.996 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.355 -0.295 -14.259 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.195 0.865 -11.568 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.327 1.909 -13.519 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.271 3.010 -12.659 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.924 2.112 -11.705 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.197 0.354 -11.674 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.332 1.248 -13.207 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.037 3.282 -15.079 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.482 2.686 -14.368 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.592 1.567 -15.242 1.00 0.00 H new ATOM 839 N LEU A 56 0.816 -2.048 -12.936 1.00 0.00 N ATOM 840 CA LEU A 56 1.463 -3.159 -12.247 1.00 0.00 C ATOM 841 C LEU A 56 2.978 -2.986 -12.236 1.00 0.00 C ATOM 842 O LEU A 56 3.548 -2.357 -13.128 1.00 0.00 O ATOM 843 CB LEU A 56 1.095 -4.484 -12.917 1.00 0.00 C ATOM 844 CG LEU A 56 -0.358 -4.936 -12.759 1.00 0.00 C ATOM 845 CD1 LEU A 56 -0.656 -6.108 -13.681 1.00 0.00 C ATOM 846 CD2 LEU A 56 -0.646 -5.307 -11.312 1.00 0.00 C ATOM 0 H LEU A 56 1.308 -1.724 -13.768 1.00 0.00 H new ATOM 0 HA LEU A 56 1.110 -3.169 -11.216 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.316 -4.403 -13.981 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.743 -5.263 -12.515 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.009 -4.107 -13.037 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.694 -6.416 -13.555 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.490 -5.808 -14.716 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.002 -6.941 -13.434 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.684 -5.626 -11.218 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.013 -6.120 -11.007 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.473 -4.441 -10.673 1.00 0.00 H new ATOM 858 N CYS A 57 3.626 -3.549 -11.222 1.00 0.00 N ATOM 859 CA CYS A 57 5.075 -3.459 -11.095 1.00 0.00 C ATOM 860 C CYS A 57 5.750 -4.705 -11.661 1.00 0.00 C ATOM 861 O CYS A 57 5.159 -5.785 -11.688 1.00 0.00 O ATOM 862 CB CYS A 57 5.469 -3.275 -9.628 1.00 0.00 C ATOM 863 SG CYS A 57 5.340 -4.791 -8.627 1.00 0.00 S ATOM 0 H CYS A 57 3.170 -4.073 -10.475 1.00 0.00 H new ATOM 0 HA CYS A 57 5.411 -2.594 -11.666 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.494 -2.908 -9.582 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.835 -2.506 -9.186 1.00 0.00 H new ATOM 0 HG CYS A 57 4.602 -4.560 -7.582 1.00 0.00 H new ATOM 868 N ASN A 58 6.990 -4.547 -12.112 1.00 0.00 N ATOM 869 CA ASN A 58 7.745 -5.659 -12.678 1.00 0.00 C ATOM 870 C ASN A 58 7.642 -6.895 -11.789 1.00 0.00 C ATOM 871 O ASN A 58 7.525 -8.018 -12.279 1.00 0.00 O ATOM 872 CB ASN A 58 9.213 -5.267 -12.857 1.00 0.00 C ATOM 873 CG ASN A 58 9.696 -4.324 -11.773 1.00 0.00 C ATOM 874 OD1 ASN A 58 9.988 -4.745 -10.653 1.00 0.00 O ATOM 875 ND2 ASN A 58 9.782 -3.040 -12.101 1.00 0.00 N ATOM 0 H ASN A 58 7.493 -3.660 -12.097 1.00 0.00 H new ATOM 0 HA ASN A 58 7.318 -5.897 -13.652 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.829 -6.166 -12.854 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.344 -4.795 -13.831 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.101 -2.358 -11.413 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.530 -2.736 -13.041 1.00 0.00 H new ATOM 882 N LYS A 59 7.686 -6.680 -10.478 1.00 0.00 N ATOM 883 CA LYS A 59 7.596 -7.774 -9.519 1.00 0.00 C ATOM 884 C LYS A 59 6.304 -8.561 -9.711 1.00 0.00 C ATOM 885 O LYS A 59 6.280 -9.783 -9.556 1.00 0.00 O ATOM 886 CB LYS A 59 7.669 -7.234 -8.089 1.00 0.00 C ATOM 887 CG LYS A 59 8.102 -8.271 -7.068 1.00 0.00 C ATOM 888 CD LYS A 59 8.319 -7.649 -5.699 1.00 0.00 C ATOM 889 CE LYS A 59 9.197 -8.527 -4.820 1.00 0.00 C ATOM 890 NZ LYS A 59 10.600 -8.580 -5.316 1.00 0.00 N ATOM 0 H LYS A 59 7.784 -5.757 -10.056 1.00 0.00 H new ATOM 0 HA LYS A 59 8.438 -8.444 -9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.366 -6.396 -8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.691 -6.845 -7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.345 -9.052 -6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.023 -8.749 -7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.781 -6.669 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.356 -7.493 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.187 -8.145 -3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.785 -9.536 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.229 -8.886 -4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.664 -9.255 -6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.888 -7.636 -5.644 1.00 0.00 H new ATOM 904 N CYS A 60 5.232 -7.855 -10.052 1.00 0.00 N ATOM 905 CA CYS A 60 3.936 -8.487 -10.267 1.00 0.00 C ATOM 906 C CYS A 60 3.795 -8.963 -11.710 1.00 0.00 C ATOM 907 O CYS A 60 3.531 -10.139 -11.965 1.00 0.00 O ATOM 908 CB CYS A 60 2.807 -7.512 -9.928 1.00 0.00 C ATOM 909 SG CYS A 60 2.616 -7.185 -8.146 1.00 0.00 S ATOM 0 H CYS A 60 5.235 -6.844 -10.186 1.00 0.00 H new ATOM 0 HA CYS A 60 3.869 -9.353 -9.609 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.990 -6.568 -10.442 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.869 -7.910 -10.316 1.00 0.00 H new ATOM 0 HG CYS A 60 3.491 -6.299 -7.771 1.00 0.00 H new ATOM 914 N THR A 61 3.974 -8.042 -12.651 1.00 0.00 N ATOM 915 CA THR A 61 3.867 -8.366 -14.068 1.00 0.00 C ATOM 916 C THR A 61 4.460 -9.738 -14.365 1.00 0.00 C ATOM 917 O THR A 61 4.059 -10.408 -15.318 1.00 0.00 O ATOM 918 CB THR A 61 4.576 -7.313 -14.941 1.00 0.00 C ATOM 919 OG1 THR A 61 5.984 -7.329 -14.680 1.00 0.00 O ATOM 920 CG2 THR A 61 4.021 -5.923 -14.670 1.00 0.00 C ATOM 0 H THR A 61 4.194 -7.065 -12.457 1.00 0.00 H new ATOM 0 HA THR A 61 2.804 -8.372 -14.311 1.00 0.00 H new ATOM 0 HB THR A 61 4.398 -7.560 -15.987 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.147 -7.704 -13.789 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.537 -5.196 -15.298 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.955 -5.906 -14.897 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.173 -5.669 -13.621 1.00 0.00 H new ATOM 1004 N PRO A 67 0.312 -20.355 -21.582 1.00 0.00 N ATOM 1005 CA PRO A 67 0.035 -20.109 -23.001 1.00 0.00 C ATOM 1006 C PRO A 67 -1.315 -19.435 -23.220 1.00 0.00 C ATOM 1007 O PRO A 67 -2.072 -19.216 -22.274 1.00 0.00 O ATOM 1008 CB PRO A 67 0.037 -21.513 -23.611 1.00 0.00 C ATOM 1009 CG PRO A 67 -0.315 -22.418 -22.482 1.00 0.00 C ATOM 1010 CD PRO A 67 0.273 -21.789 -21.249 1.00 0.00 C ATOM 0 HA PRO A 67 0.765 -19.434 -23.448 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.686 -21.593 -24.422 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.013 -21.762 -24.028 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.396 -22.524 -22.389 1.00 0.00 H new ATOM 0 HG3 PRO A 67 0.090 -23.417 -22.642 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.341 -21.980 -20.369 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.268 -22.179 -21.035 1.00 0.00 H new ATOM 1018 N LYS A 68 -1.611 -19.108 -24.473 1.00 0.00 N ATOM 1019 CA LYS A 68 -2.871 -18.460 -24.817 1.00 0.00 C ATOM 1020 C LYS A 68 -3.551 -19.176 -25.981 1.00 0.00 C ATOM 1021 O LYS A 68 -2.890 -19.810 -26.804 1.00 0.00 O ATOM 1022 CB LYS A 68 -2.632 -16.992 -25.178 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.683 -16.800 -26.347 1.00 0.00 C ATOM 1024 CD LYS A 68 -2.429 -16.765 -27.671 1.00 0.00 C ATOM 1025 CE LYS A 68 -1.528 -17.167 -28.829 1.00 0.00 C ATOM 1026 NZ LYS A 68 -1.973 -16.559 -30.114 1.00 0.00 N ATOM 0 H LYS A 68 -0.995 -19.281 -25.268 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.526 -18.512 -23.948 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.588 -16.525 -25.416 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.232 -16.473 -24.307 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.127 -15.871 -26.217 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.953 -17.609 -26.361 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.286 -17.437 -27.625 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.819 -15.762 -27.844 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.504 -16.859 -28.617 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.521 -18.253 -28.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.315 -16.829 -30.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.928 -16.899 -30.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.988 -15.523 -30.021 1.00 0.00 H new ATOM 1040 N CYS A 69 -4.874 -19.069 -26.043 1.00 0.00 N ATOM 1041 CA CYS A 69 -5.643 -19.704 -27.106 1.00 0.00 C ATOM 1042 C CYS A 69 -6.042 -18.687 -28.172 1.00 0.00 C ATOM 1043 O CYS A 69 -5.895 -17.480 -27.980 1.00 0.00 O ATOM 1044 CB CYS A 69 -6.893 -20.373 -26.530 1.00 0.00 C ATOM 1045 SG CYS A 69 -7.692 -21.556 -27.661 1.00 0.00 S ATOM 0 H CYS A 69 -5.436 -18.548 -25.369 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.014 -20.463 -27.571 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.623 -20.892 -25.610 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.614 -19.601 -26.261 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.541 -22.284 -26.998 1.00 0.00 H new ATOM 1050 N LYS A 70 -6.549 -19.184 -29.295 1.00 0.00 N ATOM 1051 CA LYS A 70 -6.971 -18.321 -30.392 1.00 0.00 C ATOM 1052 C LYS A 70 -8.477 -18.418 -30.612 1.00 0.00 C ATOM 1053 O LYS A 70 -9.125 -17.440 -30.982 1.00 0.00 O ATOM 1054 CB LYS A 70 -6.231 -18.696 -31.678 1.00 0.00 C ATOM 1055 CG LYS A 70 -6.150 -17.563 -32.686 1.00 0.00 C ATOM 1056 CD LYS A 70 -7.523 -17.196 -33.224 1.00 0.00 C ATOM 1057 CE LYS A 70 -7.436 -16.626 -34.631 1.00 0.00 C ATOM 1058 NZ LYS A 70 -8.767 -16.590 -35.298 1.00 0.00 N ATOM 0 H LYS A 70 -6.678 -20.181 -29.469 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.726 -17.293 -30.127 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.221 -19.019 -31.425 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.731 -19.547 -32.140 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.696 -16.690 -32.217 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.501 -17.855 -33.512 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.162 -18.079 -33.227 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.991 -16.466 -32.563 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.023 -15.618 -34.590 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.748 -17.228 -35.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.665 -16.195 -36.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.150 -17.555 -35.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.416 -15.995 -34.745 1.00 0.00 H new ATOM 1072 N GLY A 71 -9.029 -19.606 -30.382 1.00 0.00 N ATOM 1073 CA GLY A 71 -10.455 -19.809 -30.560 1.00 0.00 C ATOM 1074 C GLY A 71 -11.281 -19.016 -29.566 1.00 0.00 C ATOM 1075 O GLY A 71 -12.366 -18.536 -29.894 1.00 0.00 O ATOM 0 H GLY A 71 -8.514 -20.431 -30.076 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.736 -19.521 -31.573 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.684 -20.869 -30.454 1.00 0.00 H new ATOM 1079 N CYS A 72 -10.768 -18.879 -28.348 1.00 0.00 N ATOM 1080 CA CYS A 72 -11.466 -18.141 -27.302 1.00 0.00 C ATOM 1081 C CYS A 72 -10.606 -16.994 -26.780 1.00 0.00 C ATOM 1082 O CYS A 72 -11.110 -16.062 -26.153 1.00 0.00 O ATOM 1083 CB CYS A 72 -11.841 -19.078 -26.152 1.00 0.00 C ATOM 1084 SG CYS A 72 -10.455 -20.083 -25.530 1.00 0.00 S ATOM 0 H CYS A 72 -9.871 -19.270 -28.061 1.00 0.00 H new ATOM 0 HA CYS A 72 -12.376 -17.722 -27.732 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -12.243 -18.485 -25.331 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -12.638 -19.743 -26.485 1.00 0.00 H new ATOM 0 HG CYS A 72 -9.714 -20.464 -26.527 1.00 0.00 H new ATOM 1089 N PHE A 73 -9.306 -17.069 -27.043 1.00 0.00 N ATOM 1090 CA PHE A 73 -8.375 -16.038 -26.599 1.00 0.00 C ATOM 1091 C PHE A 73 -8.333 -15.962 -25.075 1.00 0.00 C ATOM 1092 O PHE A 73 -8.453 -14.885 -24.492 1.00 0.00 O ATOM 1093 CB PHE A 73 -8.773 -14.679 -27.178 1.00 0.00 C ATOM 1094 CG PHE A 73 -8.433 -14.524 -28.632 1.00 0.00 C ATOM 1095 CD1 PHE A 73 -7.149 -14.773 -29.088 1.00 0.00 C ATOM 1096 CD2 PHE A 73 -9.399 -14.129 -29.545 1.00 0.00 C ATOM 1097 CE1 PHE A 73 -6.833 -14.632 -30.426 1.00 0.00 C ATOM 1098 CE2 PHE A 73 -9.089 -13.987 -30.884 1.00 0.00 C ATOM 1099 CZ PHE A 73 -7.805 -14.238 -31.325 1.00 0.00 C ATOM 0 H PHE A 73 -8.873 -17.833 -27.562 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.381 -16.302 -26.959 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.846 -14.537 -27.047 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.276 -13.892 -26.611 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.385 -15.081 -28.389 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.405 -13.930 -29.206 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.828 -14.830 -30.768 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.851 -13.680 -31.585 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.561 -14.126 -32.371 1.00 0.00 H new ATOM 1109 N LYS A 74 -8.164 -17.115 -24.436 1.00 0.00 N ATOM 1110 CA LYS A 74 -8.106 -17.182 -22.981 1.00 0.00 C ATOM 1111 C LYS A 74 -6.835 -17.887 -22.519 1.00 0.00 C ATOM 1112 O LYS A 74 -6.187 -18.589 -23.295 1.00 0.00 O ATOM 1113 CB LYS A 74 -9.335 -17.912 -22.434 1.00 0.00 C ATOM 1114 CG LYS A 74 -10.574 -17.038 -22.350 1.00 0.00 C ATOM 1115 CD LYS A 74 -10.533 -16.127 -21.135 1.00 0.00 C ATOM 1116 CE LYS A 74 -11.763 -15.235 -21.065 1.00 0.00 C ATOM 1117 NZ LYS A 74 -13.006 -16.020 -20.829 1.00 0.00 N ATOM 0 H LYS A 74 -8.065 -18.016 -24.904 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.095 -16.163 -22.595 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.549 -18.771 -23.069 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.105 -18.299 -21.441 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.657 -16.436 -23.255 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.462 -17.668 -22.304 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.467 -16.730 -20.229 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.636 -15.509 -21.172 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.637 -14.505 -20.265 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.859 -14.675 -21.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.792 -15.372 -20.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.232 -16.575 -21.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.863 -16.662 -20.024 1.00 0.00 H new ATOM 1131 N ALA A 75 -6.485 -17.697 -21.251 1.00 0.00 N ATOM 1132 CA ALA A 75 -5.294 -18.318 -20.686 1.00 0.00 C ATOM 1133 C ALA A 75 -5.468 -19.827 -20.561 1.00 0.00 C ATOM 1134 O ALA A 75 -6.117 -20.312 -19.633 1.00 0.00 O ATOM 1135 CB ALA A 75 -4.974 -17.708 -19.329 1.00 0.00 C ATOM 0 H ALA A 75 -7.010 -17.118 -20.596 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.461 -18.130 -21.363 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.082 -18.181 -18.919 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.797 -16.639 -19.443 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.813 -17.867 -18.652 1.00 0.00 H new ATOM 1141 N ILE A 76 -4.886 -20.565 -21.501 1.00 0.00 N ATOM 1142 CA ILE A 76 -4.978 -22.020 -21.495 1.00 0.00 C ATOM 1143 C ILE A 76 -4.275 -22.610 -20.277 1.00 0.00 C ATOM 1144 O ILE A 76 -3.243 -22.104 -19.836 1.00 0.00 O ATOM 1145 CB ILE A 76 -4.365 -22.627 -22.771 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -5.047 -22.051 -24.014 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -4.489 -24.144 -22.747 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -4.275 -22.292 -25.292 1.00 0.00 C ATOM 0 H ILE A 76 -4.346 -20.179 -22.276 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.038 -22.270 -21.456 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.307 -22.368 -22.808 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.040 -22.490 -24.110 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.185 -20.978 -23.879 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.052 -24.559 -23.655 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.963 -24.538 -21.878 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -5.541 -24.422 -22.691 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.817 -21.857 -26.132 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.291 -21.829 -25.216 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -4.160 -23.364 -25.451 1.00 0.00 H new ATOM 1160 N VAL A 77 -4.842 -23.684 -19.737 1.00 0.00 N ATOM 1161 CA VAL A 77 -4.268 -24.346 -18.571 1.00 0.00 C ATOM 1162 C VAL A 77 -3.664 -25.695 -18.946 1.00 0.00 C ATOM 1163 O VAL A 77 -4.084 -26.326 -19.916 1.00 0.00 O ATOM 1164 CB VAL A 77 -5.325 -24.557 -17.470 1.00 0.00 C ATOM 1165 CG1 VAL A 77 -4.721 -25.297 -16.285 1.00 0.00 C ATOM 1166 CG2 VAL A 77 -5.913 -23.224 -17.033 1.00 0.00 C ATOM 0 H VAL A 77 -5.698 -24.114 -20.088 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.482 -23.693 -18.191 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.131 -25.167 -17.877 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.482 -25.437 -15.517 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.353 -26.269 -16.613 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.895 -24.715 -15.875 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.658 -23.392 -16.255 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.119 -22.586 -16.644 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.384 -22.737 -17.887 1.00 0.00 H new ATOM 1176 N ALA A 78 -2.677 -26.131 -18.170 1.00 0.00 N ATOM 1177 CA ALA A 78 -2.017 -27.406 -18.419 1.00 0.00 C ATOM 1178 C ALA A 78 -3.017 -28.557 -18.390 1.00 0.00 C ATOM 1179 O ALA A 78 -3.193 -29.264 -19.382 1.00 0.00 O ATOM 1180 CB ALA A 78 -0.913 -27.637 -17.398 1.00 0.00 C ATOM 0 H ALA A 78 -2.317 -25.620 -17.364 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.574 -27.369 -19.414 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.429 -28.593 -17.596 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.178 -26.836 -17.470 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.341 -27.648 -16.396 1.00 0.00 H new ATOM 1186 N GLY A 79 -3.668 -28.740 -17.246 1.00 0.00 N ATOM 1187 CA GLY A 79 -4.642 -29.808 -17.109 1.00 0.00 C ATOM 1188 C GLY A 79 -5.707 -29.763 -18.187 1.00 0.00 C ATOM 1189 O GLY A 79 -6.098 -30.798 -18.726 1.00 0.00 O ATOM 0 H GLY A 79 -3.539 -28.168 -16.411 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -4.130 -30.770 -17.148 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.117 -29.739 -16.130 1.00 0.00 H new ATOM 1193 N ASP A 80 -6.178 -28.561 -18.501 1.00 0.00 N ATOM 1194 CA ASP A 80 -7.206 -28.386 -19.521 1.00 0.00 C ATOM 1195 C ASP A 80 -6.707 -28.862 -20.882 1.00 0.00 C ATOM 1196 O ASP A 80 -5.557 -28.623 -21.250 1.00 0.00 O ATOM 1197 CB ASP A 80 -7.626 -26.917 -19.604 1.00 0.00 C ATOM 1198 CG ASP A 80 -8.651 -26.549 -18.548 1.00 0.00 C ATOM 1199 OD1 ASP A 80 -9.859 -26.731 -18.805 1.00 0.00 O ATOM 1200 OD2 ASP A 80 -8.244 -26.077 -17.466 1.00 0.00 O ATOM 0 H ASP A 80 -5.865 -27.694 -18.064 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.070 -28.988 -19.239 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.747 -26.283 -19.489 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.038 -26.715 -20.593 1.00 0.00 H new ATOM 1205 N GLN A 81 -7.579 -29.537 -21.623 1.00 0.00 N ATOM 1206 CA GLN A 81 -7.226 -30.048 -22.942 1.00 0.00 C ATOM 1207 C GLN A 81 -6.860 -28.908 -23.887 1.00 0.00 C ATOM 1208 O GLN A 81 -7.432 -27.822 -23.817 1.00 0.00 O ATOM 1209 CB GLN A 81 -8.385 -30.857 -23.526 1.00 0.00 C ATOM 1210 CG GLN A 81 -8.651 -32.159 -22.787 1.00 0.00 C ATOM 1211 CD GLN A 81 -9.866 -32.894 -23.318 1.00 0.00 C ATOM 1212 OE1 GLN A 81 -10.581 -32.390 -24.186 1.00 0.00 O ATOM 1213 NE2 GLN A 81 -10.108 -34.092 -22.798 1.00 0.00 N ATOM 0 H GLN A 81 -8.535 -29.743 -21.333 1.00 0.00 H new ATOM 0 HA GLN A 81 -6.358 -30.698 -22.832 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.288 -30.247 -23.508 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.172 -31.079 -24.572 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.776 -32.804 -22.869 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -8.793 -31.948 -21.727 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.490 -34.471 -22.081 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.912 -34.633 -23.116 1.00 0.00 H new ATOM 1222 N ASN A 82 -5.901 -29.165 -24.771 1.00 0.00 N ATOM 1223 CA ASN A 82 -5.457 -28.160 -25.730 1.00 0.00 C ATOM 1224 C ASN A 82 -4.896 -28.818 -26.988 1.00 0.00 C ATOM 1225 O ASN A 82 -4.423 -29.953 -26.949 1.00 0.00 O ATOM 1226 CB ASN A 82 -4.396 -27.255 -25.099 1.00 0.00 C ATOM 1227 CG ASN A 82 -4.554 -27.143 -23.595 1.00 0.00 C ATOM 1228 OD1 ASN A 82 -5.516 -26.553 -23.102 1.00 0.00 O ATOM 1229 ND2 ASN A 82 -3.607 -27.711 -22.857 1.00 0.00 N ATOM 0 H ASN A 82 -5.417 -30.060 -24.843 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.320 -27.556 -26.010 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -3.405 -27.646 -25.330 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -4.458 -26.262 -25.543 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.659 -27.669 -21.839 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.827 -28.190 -23.308 1.00 0.00 H new ATOM 1236 N VAL A 83 -4.953 -28.096 -28.102 1.00 0.00 N ATOM 1237 CA VAL A 83 -4.450 -28.608 -29.371 1.00 0.00 C ATOM 1238 C VAL A 83 -3.424 -27.658 -29.979 1.00 0.00 C ATOM 1239 O VAL A 83 -3.772 -26.583 -30.467 1.00 0.00 O ATOM 1240 CB VAL A 83 -5.592 -28.826 -30.381 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -5.078 -29.536 -31.624 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -6.727 -29.611 -29.740 1.00 0.00 C ATOM 0 H VAL A 83 -5.342 -27.155 -28.152 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.974 -29.566 -29.159 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.978 -27.852 -30.682 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.899 -29.681 -32.326 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.302 -28.932 -32.094 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.664 -30.505 -31.345 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.525 -29.756 -30.468 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.357 -30.581 -29.409 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.113 -29.059 -28.883 1.00 0.00 H new ATOM 1252 N GLU A 84 -2.158 -28.063 -29.946 1.00 0.00 N ATOM 1253 CA GLU A 84 -1.081 -27.247 -30.494 1.00 0.00 C ATOM 1254 C GLU A 84 -0.733 -27.687 -31.913 1.00 0.00 C ATOM 1255 O GLU A 84 -0.477 -28.865 -32.165 1.00 0.00 O ATOM 1256 CB GLU A 84 0.159 -27.335 -29.603 1.00 0.00 C ATOM 1257 CG GLU A 84 1.149 -26.203 -29.823 1.00 0.00 C ATOM 1258 CD GLU A 84 2.581 -26.617 -29.545 1.00 0.00 C ATOM 1259 OE1 GLU A 84 2.859 -27.834 -29.554 1.00 0.00 O ATOM 1260 OE2 GLU A 84 3.423 -25.723 -29.319 1.00 0.00 O ATOM 0 H GLU A 84 -1.853 -28.950 -29.546 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.424 -26.213 -30.526 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.154 -27.335 -28.559 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.660 -28.285 -29.786 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.070 -25.851 -30.852 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.886 -25.365 -29.178 1.00 0.00 H new ATOM 1267 N TYR A 85 -0.726 -26.732 -32.837 1.00 0.00 N ATOM 1268 CA TYR A 85 -0.413 -27.021 -34.231 1.00 0.00 C ATOM 1269 C TYR A 85 0.884 -26.335 -34.651 1.00 0.00 C ATOM 1270 O TYR A 85 1.939 -26.965 -34.720 1.00 0.00 O ATOM 1271 CB TYR A 85 -1.559 -26.567 -35.138 1.00 0.00 C ATOM 1272 CG TYR A 85 -1.216 -26.600 -36.610 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -0.359 -27.567 -37.122 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -1.747 -25.665 -37.488 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -0.043 -27.601 -38.466 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -1.437 -25.692 -38.834 1.00 0.00 C ATOM 1277 CZ TYR A 85 -0.584 -26.662 -39.318 1.00 0.00 C ATOM 1278 OH TYR A 85 -0.272 -26.691 -40.658 1.00 0.00 O ATOM 0 H TYR A 85 -0.933 -25.752 -32.645 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.283 -28.099 -34.332 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.425 -27.204 -34.961 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.848 -25.553 -34.864 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.067 -28.304 -36.458 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.414 -24.903 -37.112 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.625 -28.359 -38.848 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.860 -24.958 -39.504 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.737 -25.961 -41.118 1.00 0.00 H new ATOM 1288 N LYS A 86 0.797 -25.039 -34.931 1.00 0.00 N ATOM 1289 CA LYS A 86 1.962 -24.265 -35.342 1.00 0.00 C ATOM 1290 C LYS A 86 2.069 -22.974 -34.537 1.00 0.00 C ATOM 1291 O LYS A 86 1.607 -21.920 -34.971 1.00 0.00 O ATOM 1292 CB LYS A 86 1.883 -23.941 -36.836 1.00 0.00 C ATOM 1293 CG LYS A 86 1.702 -25.167 -37.715 1.00 0.00 C ATOM 1294 CD LYS A 86 2.072 -24.876 -39.160 1.00 0.00 C ATOM 1295 CE LYS A 86 3.529 -25.208 -39.440 1.00 0.00 C ATOM 1296 NZ LYS A 86 4.438 -24.099 -39.039 1.00 0.00 N ATOM 0 H LYS A 86 -0.069 -24.502 -34.881 1.00 0.00 H new ATOM 0 HA LYS A 86 2.852 -24.866 -35.153 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.053 -23.256 -37.007 1.00 0.00 H new ATOM 0 HB3 LYS A 86 2.793 -23.421 -37.135 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.320 -25.981 -37.337 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.666 -25.503 -37.664 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.431 -25.456 -39.824 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.889 -23.824 -39.379 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.804 -26.115 -38.903 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.656 -25.416 -40.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.335 -24.180 -39.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.991 -23.186 -39.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.625 -24.155 -38.017 1.00 0.00 H new ATOM 1310 N GLY A 87 2.684 -23.065 -33.361 1.00 0.00 N ATOM 1311 CA GLY A 87 2.842 -21.897 -32.515 1.00 0.00 C ATOM 1312 C GLY A 87 1.582 -21.566 -31.741 1.00 0.00 C ATOM 1313 O GLY A 87 1.646 -21.122 -30.594 1.00 0.00 O ATOM 0 H GLY A 87 3.075 -23.926 -32.980 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.660 -22.067 -31.815 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.122 -21.042 -33.130 1.00 0.00 H new ATOM 1317 N THR A 88 0.430 -21.782 -32.369 1.00 0.00 N ATOM 1318 CA THR A 88 -0.851 -21.502 -31.733 1.00 0.00 C ATOM 1319 C THR A 88 -1.570 -22.791 -31.354 1.00 0.00 C ATOM 1320 O THR A 88 -1.728 -23.692 -32.178 1.00 0.00 O ATOM 1321 CB THR A 88 -1.765 -20.669 -32.652 1.00 0.00 C ATOM 1322 OG1 THR A 88 -1.858 -21.288 -33.941 1.00 0.00 O ATOM 1323 CG2 THR A 88 -1.234 -19.251 -32.802 1.00 0.00 C ATOM 0 H THR A 88 0.358 -22.150 -33.318 1.00 0.00 H new ATOM 0 HA THR A 88 -0.637 -20.930 -30.830 1.00 0.00 H new ATOM 0 HB THR A 88 -2.755 -20.623 -32.199 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.768 -22.259 -33.845 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.896 -18.682 -33.455 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.191 -18.773 -31.823 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.234 -19.281 -33.235 1.00 0.00 H new ATOM 1331 N VAL A 89 -2.006 -22.874 -30.101 1.00 0.00 N ATOM 1332 CA VAL A 89 -2.711 -24.053 -29.613 1.00 0.00 C ATOM 1333 C VAL A 89 -4.169 -23.733 -29.302 1.00 0.00 C ATOM 1334 O VAL A 89 -4.463 -22.850 -28.497 1.00 0.00 O ATOM 1335 CB VAL A 89 -2.042 -24.624 -28.348 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -1.217 -23.553 -27.651 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -3.088 -25.200 -27.406 1.00 0.00 C ATOM 0 H VAL A 89 -1.883 -22.138 -29.405 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.667 -24.798 -30.407 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.371 -25.430 -28.645 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.752 -23.974 -26.760 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.443 -23.192 -28.328 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.864 -22.724 -27.365 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.598 -25.599 -26.518 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.786 -24.415 -27.114 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.631 -25.999 -27.910 1.00 0.00 H new ATOM 1347 N TRP A 90 -5.077 -24.456 -29.947 1.00 0.00 N ATOM 1348 CA TRP A 90 -6.506 -24.250 -29.739 1.00 0.00 C ATOM 1349 C TRP A 90 -7.093 -25.346 -28.857 1.00 0.00 C ATOM 1350 O TRP A 90 -6.729 -26.516 -28.980 1.00 0.00 O ATOM 1351 CB TRP A 90 -7.237 -24.212 -31.082 1.00 0.00 C ATOM 1352 CG TRP A 90 -6.533 -23.392 -32.119 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -5.280 -23.604 -32.621 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -7.039 -22.227 -32.780 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -4.978 -22.642 -33.554 1.00 0.00 N ATOM 1356 CE2 TRP A 90 -6.041 -21.786 -33.670 1.00 0.00 C ATOM 1357 CE3 TRP A 90 -8.240 -21.515 -32.708 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 -6.208 -20.665 -34.480 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 -8.404 -20.403 -33.511 1.00 0.00 C ATOM 1360 CH2 TRP A 90 -7.393 -19.987 -34.388 1.00 0.00 C ATOM 0 H TRP A 90 -4.850 -25.190 -30.618 1.00 0.00 H new ATOM 0 HA TRP A 90 -6.640 -23.294 -29.233 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -7.354 -25.230 -31.453 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.239 -23.811 -30.931 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -4.623 -24.410 -32.327 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -4.104 -22.576 -34.076 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -9.026 -21.829 -32.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.430 -20.343 -35.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -9.327 -19.845 -33.462 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -7.552 -19.114 -35.003 1.00 0.00 H new ATOM 1371 N HIS A 91 -8.002 -24.962 -27.967 1.00 0.00 N ATOM 1372 CA HIS A 91 -8.639 -25.914 -27.065 1.00 0.00 C ATOM 1373 C HIS A 91 -9.309 -27.039 -27.848 1.00 0.00 C ATOM 1374 O HIS A 91 -9.904 -26.809 -28.901 1.00 0.00 O ATOM 1375 CB HIS A 91 -9.670 -25.204 -26.186 1.00 0.00 C ATOM 1376 CG HIS A 91 -9.060 -24.365 -25.106 1.00 0.00 C ATOM 1377 ND1 HIS A 91 -9.360 -23.031 -24.929 1.00 0.00 N ATOM 1378 CD2 HIS A 91 -8.162 -24.678 -24.142 1.00 0.00 C ATOM 1379 CE1 HIS A 91 -8.673 -22.559 -23.905 1.00 0.00 C ATOM 1380 NE2 HIS A 91 -7.938 -23.538 -23.409 1.00 0.00 N ATOM 0 H HIS A 91 -8.314 -23.998 -27.851 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.867 -26.347 -26.429 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -10.298 -24.572 -26.815 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.322 -25.949 -25.731 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -10.011 -22.493 -25.500 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.707 -25.644 -23.980 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.706 -21.545 -23.536 1.00 0.00 H new ATOM 1388 N LYS A 92 -9.209 -28.257 -27.326 1.00 0.00 N ATOM 1389 CA LYS A 92 -9.805 -29.419 -27.975 1.00 0.00 C ATOM 1390 C LYS A 92 -11.099 -29.040 -28.687 1.00 0.00 C ATOM 1391 O LYS A 92 -11.391 -29.543 -29.773 1.00 0.00 O ATOM 1392 CB LYS A 92 -10.080 -30.518 -26.946 1.00 0.00 C ATOM 1393 CG LYS A 92 -10.236 -31.899 -27.558 1.00 0.00 C ATOM 1394 CD LYS A 92 -8.902 -32.456 -28.026 1.00 0.00 C ATOM 1395 CE LYS A 92 -8.129 -33.090 -26.880 1.00 0.00 C ATOM 1396 NZ LYS A 92 -8.790 -34.329 -26.384 1.00 0.00 N ATOM 0 H LYS A 92 -8.721 -28.465 -26.455 1.00 0.00 H new ATOM 0 HA LYS A 92 -9.099 -29.792 -28.717 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.264 -30.540 -26.224 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.987 -30.269 -26.395 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -10.676 -32.575 -26.825 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.926 -31.849 -28.400 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -9.070 -33.198 -28.807 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.308 -31.656 -28.468 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.117 -33.325 -27.211 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -8.039 -32.374 -26.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.095 -34.914 -25.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.565 -34.075 -25.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.172 -34.865 -27.189 1.00 0.00 H new ATOM 1410 N ASP A 93 -11.870 -28.151 -28.071 1.00 0.00 N ATOM 1411 CA ASP A 93 -13.132 -27.702 -28.648 1.00 0.00 C ATOM 1412 C ASP A 93 -12.891 -26.676 -29.751 1.00 0.00 C ATOM 1413 O ASP A 93 -13.442 -26.785 -30.846 1.00 0.00 O ATOM 1414 CB ASP A 93 -14.029 -27.104 -27.564 1.00 0.00 C ATOM 1415 CG ASP A 93 -15.220 -26.364 -28.141 1.00 0.00 C ATOM 1416 OD1 ASP A 93 -15.849 -26.893 -29.081 1.00 0.00 O ATOM 1417 OD2 ASP A 93 -15.524 -25.256 -27.651 1.00 0.00 O ATOM 0 H ASP A 93 -11.643 -27.727 -27.172 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.631 -28.567 -29.085 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -14.382 -27.900 -26.909 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -13.444 -26.421 -26.948 1.00 0.00 H new ATOM 1422 N CYS A 94 -12.065 -25.678 -29.453 1.00 0.00 N ATOM 1423 CA CYS A 94 -11.752 -24.631 -30.417 1.00 0.00 C ATOM 1424 C CYS A 94 -11.157 -25.224 -31.691 1.00 0.00 C ATOM 1425 O CYS A 94 -11.522 -24.834 -32.800 1.00 0.00 O ATOM 1426 CB CYS A 94 -10.777 -23.622 -29.807 1.00 0.00 C ATOM 1427 SG CYS A 94 -11.428 -22.746 -28.349 1.00 0.00 S ATOM 0 H CYS A 94 -11.601 -25.573 -28.551 1.00 0.00 H new ATOM 0 HA CYS A 94 -12.680 -24.120 -30.674 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -9.861 -24.142 -29.526 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.507 -22.889 -30.567 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.508 -21.965 -27.865 1.00 0.00 H new ATOM 1432 N PHE A 95 -10.238 -26.170 -31.523 1.00 0.00 N ATOM 1433 CA PHE A 95 -9.591 -26.817 -32.659 1.00 0.00 C ATOM 1434 C PHE A 95 -10.577 -27.705 -33.413 1.00 0.00 C ATOM 1435 O PHE A 95 -11.617 -28.089 -32.878 1.00 0.00 O ATOM 1436 CB PHE A 95 -8.397 -27.648 -32.186 1.00 0.00 C ATOM 1437 CG PHE A 95 -7.384 -27.909 -33.265 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -6.404 -26.973 -33.554 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -7.412 -29.090 -33.989 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -5.471 -27.211 -34.546 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -6.481 -29.333 -34.982 1.00 0.00 C ATOM 1442 CZ PHE A 95 -5.509 -28.392 -35.260 1.00 0.00 C ATOM 0 H PHE A 95 -9.925 -26.505 -30.612 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.238 -26.039 -33.337 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -7.910 -27.132 -31.359 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.758 -28.601 -31.799 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.369 -26.048 -32.998 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.170 -29.829 -33.775 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -4.713 -26.473 -34.762 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.514 -30.257 -35.539 1.00 0.00 H new ATOM 0 HZ PHE A 95 -4.780 -28.580 -36.034 1.00 0.00 H new