USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=23 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 163:sc= -0.793 USER MOD Set 1.2: A 72 CYS SG : rot -117:sc= -0.253 USER MOD Set 1.3: A 91 HIS : no HD1:sc= -0.953 K(o=-2.1,f=-5.1!) USER MOD Set 1.4: A 94 CYS SG : rot -160:sc= -0.0885 USER MOD Set 2.1: A 36 CYS SG : rot 150:sc= 0.374 USER MOD Set 2.2: A 39 CYS SG : rot -61:sc= -0.105 USER MOD Set 2.3: A 57 CYS SG : rot -126:sc= -0.457 USER MOD Set 2.4: A 60 CYS SG : rot 147:sc= -2.03 USER MOD Set 3.1: A 8 CYS SG : rot 140:sc= 1.49 USER MOD Set 3.2: A 11 CYS SG : rot -57:sc= -1.77 USER MOD Set 3.3: A 30 HIS : no HE2:sc= -1.48! C(o=-2.7!,f=-8.6!) USER MOD Set 3.4: A 33 CYS SG : rot 180:sc= -0.98 USER MOD Single : A 13 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0191) USER MOD Single : A 19 SER OG : rot -130:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= 0.0341 (180deg=0.0254) USER MOD Single : A 23 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.4) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.857 X(o=-0.86,f=-0.71!) USER MOD Single : A 32 THR OG1 : rot -20:sc= 0.269 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-3.1!) USER MOD Single : A 45 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.027) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -0.0686 (180deg=-0.375) USER MOD Single : A 53 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.53) USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00411) USER MOD Single : A 58 ASN : amide:sc= -0.819 K(o=-0.82,f=-0.018) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -11:sc= -0.353 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 82 ASN : amide:sc= -0.712 K(o=-0.71,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.143) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00669 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.126 17.699 -12.407 1.00 0.00 N ATOM 60 CA GLY A 7 -5.113 17.075 -11.545 1.00 0.00 C ATOM 61 C GLY A 7 -4.935 15.572 -11.452 1.00 0.00 C ATOM 62 O GLY A 7 -4.525 14.927 -12.418 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.045 17.508 -10.547 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.112 17.297 -11.921 1.00 0.00 H new ATOM 66 N CYS A 8 -5.241 15.013 -10.286 1.00 0.00 N ATOM 67 CA CYS A 8 -5.111 13.577 -10.069 1.00 0.00 C ATOM 68 C CYS A 8 -6.380 12.845 -10.495 1.00 0.00 C ATOM 69 O CYS A 8 -7.488 13.358 -10.339 1.00 0.00 O ATOM 70 CB CYS A 8 -4.813 13.289 -8.596 1.00 0.00 C ATOM 71 SG CYS A 8 -4.369 11.555 -8.253 1.00 0.00 S ATOM 0 H CYS A 8 -5.581 15.533 -9.477 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.283 13.216 -10.679 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.997 13.933 -8.269 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.687 13.554 -8.001 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.405 11.518 -7.382 1.00 0.00 H new ATOM 76 N VAL A 9 -6.209 11.642 -11.035 1.00 0.00 N ATOM 77 CA VAL A 9 -7.340 10.838 -11.483 1.00 0.00 C ATOM 78 C VAL A 9 -7.778 9.856 -10.403 1.00 0.00 C ATOM 79 O VAL A 9 -8.892 9.334 -10.440 1.00 0.00 O ATOM 80 CB VAL A 9 -7.000 10.056 -12.765 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.373 10.977 -13.802 1.00 0.00 C ATOM 82 CG2 VAL A 9 -6.076 8.890 -12.448 1.00 0.00 C ATOM 0 H VAL A 9 -5.299 11.203 -11.173 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.156 11.529 -11.694 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.924 9.655 -13.181 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.139 10.407 -14.701 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.073 11.775 -14.050 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.457 11.409 -13.398 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.846 8.348 -13.365 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.153 9.267 -12.008 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.566 8.218 -11.743 1.00 0.00 H new ATOM 92 N GLU A 10 -6.894 9.609 -9.441 1.00 0.00 N ATOM 93 CA GLU A 10 -7.190 8.688 -8.350 1.00 0.00 C ATOM 94 C GLU A 10 -7.958 9.393 -7.236 1.00 0.00 C ATOM 95 O GLU A 10 -9.050 8.971 -6.855 1.00 0.00 O ATOM 96 CB GLU A 10 -5.896 8.089 -7.793 1.00 0.00 C ATOM 97 CG GLU A 10 -6.078 6.711 -7.181 1.00 0.00 C ATOM 98 CD GLU A 10 -6.984 5.820 -8.007 1.00 0.00 C ATOM 99 OE1 GLU A 10 -6.822 5.793 -9.245 1.00 0.00 O ATOM 100 OE2 GLU A 10 -7.856 5.149 -7.416 1.00 0.00 O ATOM 0 H GLU A 10 -5.968 10.034 -9.395 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.813 7.885 -8.745 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.160 8.027 -8.594 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.490 8.762 -7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.104 6.233 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.493 6.815 -6.178 1.00 0.00 H new ATOM 107 N CYS A 11 -7.378 10.470 -6.716 1.00 0.00 N ATOM 108 CA CYS A 11 -8.005 11.235 -5.645 1.00 0.00 C ATOM 109 C CYS A 11 -8.841 12.379 -6.211 1.00 0.00 C ATOM 110 O CYS A 11 -9.409 13.175 -5.464 1.00 0.00 O ATOM 111 CB CYS A 11 -6.942 11.787 -4.694 1.00 0.00 C ATOM 112 SG CYS A 11 -5.653 12.778 -5.515 1.00 0.00 S ATOM 0 H CYS A 11 -6.474 10.833 -7.019 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.664 10.566 -5.092 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.430 12.401 -3.937 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.469 10.955 -4.173 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.082 12.066 -6.441 1.00 0.00 H new ATOM 117 N ARG A 12 -8.911 12.454 -7.536 1.00 0.00 N ATOM 118 CA ARG A 12 -9.676 13.501 -8.203 1.00 0.00 C ATOM 119 C ARG A 12 -9.380 14.866 -7.588 1.00 0.00 C ATOM 120 O ARG A 12 -10.203 15.780 -7.651 1.00 0.00 O ATOM 121 CB ARG A 12 -11.174 13.204 -8.113 1.00 0.00 C ATOM 122 CG ARG A 12 -11.664 12.223 -9.166 1.00 0.00 C ATOM 123 CD ARG A 12 -11.875 12.906 -10.508 1.00 0.00 C ATOM 124 NE ARG A 12 -12.913 13.931 -10.444 1.00 0.00 N ATOM 125 CZ ARG A 12 -13.555 14.396 -11.510 1.00 0.00 C ATOM 126 NH1 ARG A 12 -13.266 13.928 -12.717 1.00 0.00 N ATOM 127 NH2 ARG A 12 -14.488 15.329 -11.370 1.00 0.00 N ATOM 0 H ARG A 12 -8.447 11.802 -8.169 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.379 13.521 -9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.398 12.804 -7.124 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.728 14.138 -8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.940 11.415 -9.277 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.599 11.770 -8.836 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.939 13.358 -10.836 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.147 12.161 -11.255 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.159 14.311 -9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.550 13.210 -12.828 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.760 14.286 -13.535 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.713 15.690 -10.443 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.980 15.685 -12.189 1.00 0.00 H new ATOM 141 N LYS A 13 -8.199 14.998 -6.993 1.00 0.00 N ATOM 142 CA LYS A 13 -7.792 16.250 -6.367 1.00 0.00 C ATOM 143 C LYS A 13 -6.757 16.975 -7.221 1.00 0.00 C ATOM 144 O LYS A 13 -6.020 16.365 -7.996 1.00 0.00 O ATOM 145 CB LYS A 13 -7.222 15.985 -4.971 1.00 0.00 C ATOM 146 CG LYS A 13 -8.282 15.661 -3.933 1.00 0.00 C ATOM 147 CD LYS A 13 -8.782 16.915 -3.236 1.00 0.00 C ATOM 148 CE LYS A 13 -10.146 16.694 -2.600 1.00 0.00 C ATOM 149 NZ LYS A 13 -11.239 16.714 -3.612 1.00 0.00 N ATOM 0 H LYS A 13 -7.506 14.252 -6.931 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.673 16.886 -6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.515 15.157 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.661 16.861 -4.644 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.118 15.152 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.871 14.973 -3.195 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.067 17.216 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.843 17.732 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.152 15.738 -2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.328 17.467 -1.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.159 16.662 -3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.186 17.594 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.136 15.899 -4.250 1.00 0.00 H new ATOM 163 N PRO A 14 -6.698 18.307 -7.078 1.00 0.00 N ATOM 164 CA PRO A 14 -5.755 19.143 -7.827 1.00 0.00 C ATOM 165 C PRO A 14 -4.312 18.932 -7.380 1.00 0.00 C ATOM 166 O PRO A 14 -4.041 18.754 -6.192 1.00 0.00 O ATOM 167 CB PRO A 14 -6.212 20.568 -7.506 1.00 0.00 C ATOM 168 CG PRO A 14 -6.900 20.458 -6.190 1.00 0.00 C ATOM 169 CD PRO A 14 -7.547 19.100 -6.173 1.00 0.00 C ATOM 0 HA PRO A 14 -5.759 18.909 -8.892 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.366 21.253 -7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.885 20.950 -8.274 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.191 20.563 -5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.644 21.246 -6.071 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.568 18.677 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.578 19.142 -6.523 1.00 0.00 H new ATOM 177 N ILE A 15 -3.392 18.954 -8.338 1.00 0.00 N ATOM 178 CA ILE A 15 -1.977 18.767 -8.042 1.00 0.00 C ATOM 179 C ILE A 15 -1.202 20.068 -8.220 1.00 0.00 C ATOM 180 O ILE A 15 -1.518 20.878 -9.091 1.00 0.00 O ATOM 181 CB ILE A 15 -1.352 17.683 -8.940 1.00 0.00 C ATOM 182 CG1 ILE A 15 -2.185 16.401 -8.884 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.083 17.408 -8.517 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.911 15.452 -10.029 1.00 0.00 C ATOM 0 H ILE A 15 -3.601 19.099 -9.326 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.912 18.447 -7.002 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.344 18.044 -9.969 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.986 15.889 -7.943 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.243 16.664 -8.886 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.511 16.640 -9.161 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.670 18.323 -8.604 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.098 17.064 -7.483 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.536 14.565 -9.924 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.138 15.947 -10.974 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.861 15.159 -10.015 1.00 0.00 H new ATOM 196 N GLY A 16 -0.182 20.262 -7.389 1.00 0.00 N ATOM 197 CA GLY A 16 0.625 21.466 -7.472 1.00 0.00 C ATOM 198 C GLY A 16 1.865 21.275 -8.321 1.00 0.00 C ATOM 199 O GLY A 16 2.037 20.235 -8.956 1.00 0.00 O ATOM 0 H GLY A 16 0.100 19.607 -6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.024 22.274 -7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.919 21.772 -6.468 1.00 0.00 H new ATOM 203 N ALA A 17 2.732 22.282 -8.334 1.00 0.00 N ATOM 204 CA ALA A 17 3.964 22.220 -9.112 1.00 0.00 C ATOM 205 C ALA A 17 5.119 21.689 -8.269 1.00 0.00 C ATOM 206 O ALA A 17 5.927 20.889 -8.741 1.00 0.00 O ATOM 207 CB ALA A 17 4.304 23.593 -9.672 1.00 0.00 C ATOM 0 H ALA A 17 2.604 23.151 -7.815 1.00 0.00 H new ATOM 0 HA ALA A 17 3.807 21.530 -9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.226 23.532 -10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.493 23.934 -10.316 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.437 24.298 -8.851 1.00 0.00 H new ATOM 213 N ASP A 18 5.191 22.141 -7.022 1.00 0.00 N ATOM 214 CA ASP A 18 6.247 21.711 -6.114 1.00 0.00 C ATOM 215 C ASP A 18 6.146 20.215 -5.831 1.00 0.00 C ATOM 216 O ASP A 18 7.156 19.543 -5.621 1.00 0.00 O ATOM 217 CB ASP A 18 6.173 22.496 -4.803 1.00 0.00 C ATOM 218 CG ASP A 18 7.295 22.136 -3.848 1.00 0.00 C ATOM 219 OD1 ASP A 18 7.527 20.928 -3.634 1.00 0.00 O ATOM 220 OD2 ASP A 18 7.941 23.063 -3.317 1.00 0.00 O ATOM 0 H ASP A 18 4.531 22.805 -6.617 1.00 0.00 H new ATOM 0 HA ASP A 18 7.206 21.908 -6.593 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.213 23.564 -5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.214 22.304 -4.321 1.00 0.00 H new ATOM 225 N SER A 19 4.921 19.700 -5.828 1.00 0.00 N ATOM 226 CA SER A 19 4.687 18.285 -5.566 1.00 0.00 C ATOM 227 C SER A 19 5.137 17.432 -6.749 1.00 0.00 C ATOM 228 O SER A 19 4.952 17.807 -7.907 1.00 0.00 O ATOM 229 CB SER A 19 3.205 18.035 -5.278 1.00 0.00 C ATOM 230 OG SER A 19 2.496 17.743 -6.470 1.00 0.00 O ATOM 0 H SER A 19 4.075 20.242 -6.004 1.00 0.00 H new ATOM 0 HA SER A 19 5.272 18.002 -4.691 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.102 17.206 -4.578 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.771 18.913 -4.799 1.00 0.00 H new ATOM 0 HG SER A 19 1.696 18.307 -6.521 1.00 0.00 H new ATOM 236 N LYS A 20 5.731 16.282 -6.449 1.00 0.00 N ATOM 237 CA LYS A 20 6.208 15.374 -7.485 1.00 0.00 C ATOM 238 C LYS A 20 5.054 14.576 -8.082 1.00 0.00 C ATOM 239 O LYS A 20 4.583 13.607 -7.487 1.00 0.00 O ATOM 240 CB LYS A 20 7.258 14.420 -6.911 1.00 0.00 C ATOM 241 CG LYS A 20 8.631 15.050 -6.753 1.00 0.00 C ATOM 242 CD LYS A 20 8.778 15.737 -5.406 1.00 0.00 C ATOM 243 CE LYS A 20 9.930 16.730 -5.409 1.00 0.00 C ATOM 244 NZ LYS A 20 9.732 17.813 -4.407 1.00 0.00 N ATOM 0 H LYS A 20 5.894 15.957 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 20 6.662 15.971 -8.276 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.918 14.061 -5.939 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.340 13.549 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.398 14.283 -6.857 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.794 15.774 -7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.851 16.254 -5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.943 14.989 -4.631 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.862 16.206 -5.197 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.029 17.168 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.601 18.380 -4.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.945 18.424 -4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.511 17.393 -3.481 1.00 0.00 H new ATOM 258 N GLU A 21 4.603 14.989 -9.263 1.00 0.00 N ATOM 259 CA GLU A 21 3.504 14.311 -9.940 1.00 0.00 C ATOM 260 C GLU A 21 4.030 13.350 -11.002 1.00 0.00 C ATOM 261 O GLU A 21 5.144 13.507 -11.501 1.00 0.00 O ATOM 262 CB GLU A 21 2.564 15.333 -10.583 1.00 0.00 C ATOM 263 CG GLU A 21 3.104 15.932 -11.870 1.00 0.00 C ATOM 264 CD GLU A 21 4.210 16.940 -11.626 1.00 0.00 C ATOM 265 OE1 GLU A 21 4.116 17.696 -10.637 1.00 0.00 O ATOM 266 OE2 GLU A 21 5.170 16.972 -12.424 1.00 0.00 O ATOM 0 H GLU A 21 4.982 15.789 -9.770 1.00 0.00 H new ATOM 0 HA GLU A 21 2.951 13.737 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.607 14.854 -10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.372 16.136 -9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.481 15.133 -12.508 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.290 16.415 -12.411 1.00 0.00 H new ATOM 273 N VAL A 22 3.219 12.352 -11.342 1.00 0.00 N ATOM 274 CA VAL A 22 3.601 11.365 -12.345 1.00 0.00 C ATOM 275 C VAL A 22 2.660 11.407 -13.544 1.00 0.00 C ATOM 276 O VAL A 22 1.534 10.913 -13.480 1.00 0.00 O ATOM 277 CB VAL A 22 3.603 9.941 -11.758 1.00 0.00 C ATOM 278 CG1 VAL A 22 4.011 8.927 -12.816 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.526 9.864 -10.551 1.00 0.00 C ATOM 0 H VAL A 22 2.294 12.206 -10.938 1.00 0.00 H new ATOM 0 HA VAL A 22 4.610 11.618 -12.670 1.00 0.00 H new ATOM 0 HB VAL A 22 2.592 9.701 -11.430 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.007 7.927 -12.382 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.307 8.965 -13.647 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.012 9.161 -13.178 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.515 8.851 -10.149 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.541 10.124 -10.852 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.184 10.562 -9.786 1.00 0.00 H new ATOM 289 N HIS A 23 3.130 11.999 -14.637 1.00 0.00 N ATOM 290 CA HIS A 23 2.331 12.105 -15.853 1.00 0.00 C ATOM 291 C HIS A 23 2.552 10.895 -16.755 1.00 0.00 C ATOM 292 O HIS A 23 3.665 10.652 -17.221 1.00 0.00 O ATOM 293 CB HIS A 23 2.678 13.389 -16.607 1.00 0.00 C ATOM 294 CG HIS A 23 2.137 13.429 -18.003 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.684 14.209 -19.000 1.00 0.00 N ATOM 296 CD2 HIS A 23 1.094 12.777 -18.567 1.00 0.00 C ATOM 297 CE1 HIS A 23 1.999 14.037 -20.116 1.00 0.00 C ATOM 298 NE2 HIS A 23 1.029 13.172 -19.880 1.00 0.00 N ATOM 0 H HIS A 23 4.060 12.413 -14.706 1.00 0.00 H new ATOM 0 HA HIS A 23 1.280 12.135 -15.566 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.290 14.243 -16.051 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.762 13.498 -16.643 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.435 12.076 -18.076 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.198 14.521 -21.061 1.00 0.00 H new ATOM 0 HE2 HIS A 23 0.343 12.850 -20.563 1.00 0.00 H new ATOM 307 N TYR A 24 1.486 10.141 -16.997 1.00 0.00 N ATOM 308 CA TYR A 24 1.565 8.954 -17.841 1.00 0.00 C ATOM 309 C TYR A 24 0.225 8.676 -18.516 1.00 0.00 C ATOM 310 O TYR A 24 -0.836 8.943 -17.951 1.00 0.00 O ATOM 311 CB TYR A 24 1.993 7.742 -17.014 1.00 0.00 C ATOM 312 CG TYR A 24 2.645 6.650 -17.832 1.00 0.00 C ATOM 313 CD1 TYR A 24 3.996 6.707 -18.151 1.00 0.00 C ATOM 314 CD2 TYR A 24 1.910 5.562 -18.287 1.00 0.00 C ATOM 315 CE1 TYR A 24 4.596 5.712 -18.899 1.00 0.00 C ATOM 316 CE2 TYR A 24 2.501 4.562 -19.034 1.00 0.00 C ATOM 317 CZ TYR A 24 3.844 4.642 -19.338 1.00 0.00 C ATOM 318 OH TYR A 24 4.437 3.648 -20.083 1.00 0.00 O ATOM 0 H TYR A 24 0.557 10.330 -16.621 1.00 0.00 H new ATOM 0 HA TYR A 24 2.310 9.138 -18.615 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.687 8.068 -16.240 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.120 7.332 -16.507 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.587 7.543 -17.809 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.858 5.497 -18.052 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.647 5.772 -19.139 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.915 3.722 -19.378 1.00 0.00 H new ATOM 0 HH TYR A 24 3.769 2.968 -20.311 1.00 0.00 H new ATOM 328 N LYS A 25 0.282 8.137 -19.729 1.00 0.00 N ATOM 329 CA LYS A 25 -0.925 7.820 -20.483 1.00 0.00 C ATOM 330 C LYS A 25 -1.975 8.913 -20.316 1.00 0.00 C ATOM 331 O LYS A 25 -3.145 8.630 -20.065 1.00 0.00 O ATOM 332 CB LYS A 25 -1.497 6.475 -20.028 1.00 0.00 C ATOM 333 CG LYS A 25 -0.584 5.296 -20.318 1.00 0.00 C ATOM 334 CD LYS A 25 -0.865 4.697 -21.686 1.00 0.00 C ATOM 335 CE LYS A 25 -0.031 5.365 -22.769 1.00 0.00 C ATOM 336 NZ LYS A 25 -0.076 4.606 -24.050 1.00 0.00 N ATOM 0 H LYS A 25 1.152 7.910 -20.211 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.657 7.757 -21.538 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.693 6.517 -18.957 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.455 6.312 -20.521 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.456 5.619 -20.268 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.718 4.533 -19.551 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.651 3.628 -21.667 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.924 4.806 -21.922 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.395 6.379 -22.934 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.002 5.448 -22.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.504 5.093 -24.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.295 3.646 -23.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.059 4.548 -24.385 1.00 0.00 H new ATOM 350 N ASN A 26 -1.548 10.164 -20.457 1.00 0.00 N ATOM 351 CA ASN A 26 -2.452 11.300 -20.322 1.00 0.00 C ATOM 352 C ASN A 26 -3.114 11.308 -18.948 1.00 0.00 C ATOM 353 O ASN A 26 -4.289 11.652 -18.816 1.00 0.00 O ATOM 354 CB ASN A 26 -3.521 11.260 -21.416 1.00 0.00 C ATOM 355 CG ASN A 26 -4.182 12.609 -21.628 1.00 0.00 C ATOM 356 OD1 ASN A 26 -4.429 13.348 -20.675 1.00 0.00 O ATOM 357 ND2 ASN A 26 -4.472 12.934 -22.882 1.00 0.00 N ATOM 0 H ASN A 26 -0.582 10.416 -20.665 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.867 12.213 -20.429 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.068 10.929 -22.351 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.280 10.524 -21.152 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.918 13.828 -23.087 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.249 12.290 -23.641 1.00 0.00 H new ATOM 364 N ARG A 27 -2.352 10.929 -17.928 1.00 0.00 N ATOM 365 CA ARG A 27 -2.864 10.892 -16.563 1.00 0.00 C ATOM 366 C ARG A 27 -1.898 11.577 -15.601 1.00 0.00 C ATOM 367 O ARG A 27 -0.858 12.092 -16.011 1.00 0.00 O ATOM 368 CB ARG A 27 -3.099 9.445 -16.123 1.00 0.00 C ATOM 369 CG ARG A 27 -4.132 8.713 -16.964 1.00 0.00 C ATOM 370 CD ARG A 27 -5.548 9.037 -16.513 1.00 0.00 C ATOM 371 NE ARG A 27 -6.505 8.023 -16.946 1.00 0.00 N ATOM 372 CZ ARG A 27 -7.808 8.250 -17.075 1.00 0.00 C ATOM 373 NH1 ARG A 27 -8.305 9.449 -16.807 1.00 0.00 N ATOM 374 NH2 ARG A 27 -8.616 7.275 -17.473 1.00 0.00 N ATOM 0 H ARG A 27 -1.377 10.643 -18.021 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.812 11.430 -16.542 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.155 8.902 -16.169 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.420 9.438 -15.081 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.011 8.988 -18.012 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.964 7.638 -16.895 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.573 9.118 -15.426 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.843 10.008 -16.912 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.154 7.090 -17.161 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.687 10.200 -16.501 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.306 9.620 -16.907 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.237 6.351 -17.680 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.616 7.450 -17.572 1.00 0.00 H new ATOM 388 N PHE A 28 -2.250 11.580 -14.319 1.00 0.00 N ATOM 389 CA PHE A 28 -1.416 12.203 -13.299 1.00 0.00 C ATOM 390 C PHE A 28 -1.746 11.651 -11.915 1.00 0.00 C ATOM 391 O PHE A 28 -2.888 11.725 -11.462 1.00 0.00 O ATOM 392 CB PHE A 28 -1.605 13.721 -13.313 1.00 0.00 C ATOM 393 CG PHE A 28 -1.597 14.314 -14.693 1.00 0.00 C ATOM 394 CD1 PHE A 28 -0.407 14.701 -15.288 1.00 0.00 C ATOM 395 CD2 PHE A 28 -2.779 14.484 -15.395 1.00 0.00 C ATOM 396 CE1 PHE A 28 -0.396 15.246 -16.558 1.00 0.00 C ATOM 397 CE2 PHE A 28 -2.774 15.028 -16.665 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.581 15.411 -17.247 1.00 0.00 C ATOM 0 H PHE A 28 -3.107 11.158 -13.963 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.375 11.971 -13.525 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.549 13.966 -12.827 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.813 14.183 -12.723 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.523 14.575 -14.753 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.715 14.188 -14.945 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.539 15.542 -17.011 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.702 15.154 -17.203 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.575 15.839 -18.239 1.00 0.00 H new ATOM 408 N TRP A 29 -0.738 11.097 -11.250 1.00 0.00 N ATOM 409 CA TRP A 29 -0.920 10.532 -9.918 1.00 0.00 C ATOM 410 C TRP A 29 0.046 11.163 -8.922 1.00 0.00 C ATOM 411 O TRP A 29 1.201 11.437 -9.251 1.00 0.00 O ATOM 412 CB TRP A 29 -0.719 9.016 -9.954 1.00 0.00 C ATOM 413 CG TRP A 29 -1.757 8.297 -10.760 1.00 0.00 C ATOM 414 CD1 TRP A 29 -2.956 7.820 -10.314 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.688 7.973 -12.153 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.636 7.218 -11.345 1.00 0.00 N ATOM 417 CE2 TRP A 29 -2.880 7.300 -12.485 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.736 8.189 -13.153 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -3.142 6.841 -13.773 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -0.997 7.732 -14.431 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.192 7.065 -14.732 1.00 0.00 C ATOM 0 H TRP A 29 0.213 11.027 -11.611 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.938 10.749 -9.594 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.266 8.797 -10.366 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.731 8.631 -8.934 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.317 7.904 -9.300 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.555 6.781 -11.273 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.187 8.704 -12.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -4.062 6.326 -14.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.267 7.892 -15.211 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.367 6.721 -15.741 1.00 0.00 H new ATOM 432 N HIS A 30 -0.432 11.390 -7.703 1.00 0.00 N ATOM 433 CA HIS A 30 0.391 11.989 -6.658 1.00 0.00 C ATOM 434 C HIS A 30 1.551 11.069 -6.287 1.00 0.00 C ATOM 435 O HIS A 30 1.540 9.880 -6.606 1.00 0.00 O ATOM 436 CB HIS A 30 -0.455 12.286 -5.420 1.00 0.00 C ATOM 437 CG HIS A 30 -1.208 13.578 -5.506 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.582 13.655 -5.421 1.00 0.00 N ATOM 439 CD2 HIS A 30 -0.771 14.849 -5.668 1.00 0.00 C ATOM 440 CE1 HIS A 30 -2.958 14.917 -5.529 1.00 0.00 C ATOM 441 NE2 HIS A 30 -1.877 15.662 -5.679 1.00 0.00 N ATOM 0 H HIS A 30 -1.385 11.168 -7.414 1.00 0.00 H new ATOM 0 HA HIS A 30 0.799 12.924 -7.042 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.163 11.471 -5.270 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.193 12.310 -4.544 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.210 12.861 -5.294 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.257 15.165 -5.770 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.975 15.278 -5.500 1.00 0.00 H new ATOM 449 N ASP A 31 2.550 11.628 -5.613 1.00 0.00 N ATOM 450 CA ASP A 31 3.717 10.858 -5.198 1.00 0.00 C ATOM 451 C ASP A 31 3.315 9.723 -4.261 1.00 0.00 C ATOM 452 O ASP A 31 4.088 8.795 -4.024 1.00 0.00 O ATOM 453 CB ASP A 31 4.736 11.767 -4.510 1.00 0.00 C ATOM 454 CG ASP A 31 4.433 11.967 -3.038 1.00 0.00 C ATOM 455 OD1 ASP A 31 4.610 11.006 -2.260 1.00 0.00 O ATOM 456 OD2 ASP A 31 4.020 13.084 -2.664 1.00 0.00 O ATOM 0 H ASP A 31 2.575 12.611 -5.342 1.00 0.00 H new ATOM 0 HA ASP A 31 4.171 10.425 -6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.732 11.338 -4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.750 12.736 -5.010 1.00 0.00 H new ATOM 461 N THR A 32 2.099 9.805 -3.729 1.00 0.00 N ATOM 462 CA THR A 32 1.595 8.787 -2.816 1.00 0.00 C ATOM 463 C THR A 32 0.481 7.972 -3.462 1.00 0.00 C ATOM 464 O THR A 32 0.105 6.910 -2.964 1.00 0.00 O ATOM 465 CB THR A 32 1.066 9.414 -1.512 1.00 0.00 C ATOM 466 OG1 THR A 32 0.627 8.386 -0.617 1.00 0.00 O ATOM 467 CG2 THR A 32 -0.083 10.369 -1.798 1.00 0.00 C ATOM 0 H THR A 32 1.446 10.566 -3.915 1.00 0.00 H new ATOM 0 HA THR A 32 2.433 8.131 -2.581 1.00 0.00 H new ATOM 0 HB THR A 32 1.878 9.976 -1.049 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.450 7.566 -1.123 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.440 10.799 -0.862 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.262 11.167 -2.456 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.896 9.826 -2.281 1.00 0.00 H new ATOM 475 N CYS A 33 -0.044 8.474 -4.575 1.00 0.00 N ATOM 476 CA CYS A 33 -1.116 7.793 -5.291 1.00 0.00 C ATOM 477 C CYS A 33 -0.549 6.793 -6.295 1.00 0.00 C ATOM 478 O CYS A 33 -0.997 5.649 -6.369 1.00 0.00 O ATOM 479 CB CYS A 33 -2.003 8.809 -6.011 1.00 0.00 C ATOM 480 SG CYS A 33 -3.132 9.723 -4.911 1.00 0.00 S ATOM 0 H CYS A 33 0.256 9.351 -5.001 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.717 7.249 -4.563 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.368 9.522 -6.536 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.591 8.290 -6.768 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.838 10.559 -5.612 1.00 0.00 H new ATOM 485 N PHE A 34 0.439 7.234 -7.067 1.00 0.00 N ATOM 486 CA PHE A 34 1.067 6.380 -8.068 1.00 0.00 C ATOM 487 C PHE A 34 1.690 5.148 -7.418 1.00 0.00 C ATOM 488 O PHE A 34 2.697 5.244 -6.717 1.00 0.00 O ATOM 489 CB PHE A 34 2.136 7.159 -8.837 1.00 0.00 C ATOM 490 CG PHE A 34 2.677 6.420 -10.027 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.820 5.898 -10.982 1.00 0.00 C ATOM 492 CD2 PHE A 34 4.042 6.248 -10.191 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.314 5.217 -12.080 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.542 5.569 -11.286 1.00 0.00 C ATOM 495 CZ PHE A 34 3.677 5.052 -12.231 1.00 0.00 C ATOM 0 H PHE A 34 0.822 8.178 -7.018 1.00 0.00 H new ATOM 0 HA PHE A 34 0.295 6.052 -8.764 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.714 8.107 -9.170 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.958 7.395 -8.162 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.753 6.024 -10.868 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.723 6.649 -9.455 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.635 4.815 -12.818 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.608 5.443 -11.403 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.066 4.520 -13.086 1.00 0.00 H new ATOM 505 N ARG A 35 1.081 3.990 -7.655 1.00 0.00 N ATOM 506 CA ARG A 35 1.574 2.739 -7.092 1.00 0.00 C ATOM 507 C ARG A 35 0.910 1.541 -7.764 1.00 0.00 C ATOM 508 O ARG A 35 -0.017 1.697 -8.560 1.00 0.00 O ATOM 509 CB ARG A 35 1.318 2.697 -5.584 1.00 0.00 C ATOM 510 CG ARG A 35 -0.149 2.533 -5.220 1.00 0.00 C ATOM 511 CD ARG A 35 -0.351 2.519 -3.713 1.00 0.00 C ATOM 512 NE ARG A 35 -1.757 2.368 -3.350 1.00 0.00 N ATOM 513 CZ ARG A 35 -2.251 2.705 -2.164 1.00 0.00 C ATOM 514 NH1 ARG A 35 -1.456 3.211 -1.231 1.00 0.00 N ATOM 515 NH2 ARG A 35 -3.542 2.538 -1.909 1.00 0.00 N ATOM 0 H ARG A 35 0.246 3.893 -8.233 1.00 0.00 H new ATOM 0 HA ARG A 35 2.648 2.687 -7.273 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.886 1.874 -5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.695 3.616 -5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.727 3.347 -5.658 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.530 1.606 -5.648 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.225 1.703 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.036 3.445 -3.287 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.395 1.982 -4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.463 3.342 -1.423 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.838 3.469 -0.321 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.157 2.150 -2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.920 2.797 -0.998 1.00 0.00 H new ATOM 529 N CYS A 36 1.390 0.345 -7.439 1.00 0.00 N ATOM 530 CA CYS A 36 0.844 -0.880 -8.012 1.00 0.00 C ATOM 531 C CYS A 36 -0.586 -1.113 -7.535 1.00 0.00 C ATOM 532 O CYS A 36 -1.039 -0.497 -6.571 1.00 0.00 O ATOM 533 CB CYS A 36 1.720 -2.077 -7.636 1.00 0.00 C ATOM 534 SG CYS A 36 1.493 -3.530 -8.711 1.00 0.00 S ATOM 0 H CYS A 36 2.156 0.198 -6.782 1.00 0.00 H new ATOM 0 HA CYS A 36 0.833 -0.772 -9.097 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.766 -1.773 -7.670 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.504 -2.363 -6.606 1.00 0.00 H new ATOM 0 HG CYS A 36 2.604 -4.203 -8.771 1.00 0.00 H new ATOM 539 N ALA A 37 -1.293 -2.007 -8.219 1.00 0.00 N ATOM 540 CA ALA A 37 -2.672 -2.323 -7.865 1.00 0.00 C ATOM 541 C ALA A 37 -2.773 -3.711 -7.240 1.00 0.00 C ATOM 542 O ALA A 37 -3.815 -4.087 -6.703 1.00 0.00 O ATOM 543 CB ALA A 37 -3.567 -2.228 -9.091 1.00 0.00 C ATOM 0 H ALA A 37 -0.934 -2.525 -9.021 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.008 -1.595 -7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.593 -2.466 -8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.526 -1.216 -9.494 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.224 -2.933 -9.848 1.00 0.00 H new ATOM 549 N LYS A 38 -1.684 -4.469 -7.314 1.00 0.00 N ATOM 550 CA LYS A 38 -1.650 -5.815 -6.756 1.00 0.00 C ATOM 551 C LYS A 38 -0.875 -5.840 -5.442 1.00 0.00 C ATOM 552 O LYS A 38 -1.308 -6.451 -4.465 1.00 0.00 O ATOM 553 CB LYS A 38 -1.015 -6.787 -7.753 1.00 0.00 C ATOM 554 CG LYS A 38 -2.020 -7.461 -8.670 1.00 0.00 C ATOM 555 CD LYS A 38 -1.422 -8.677 -9.357 1.00 0.00 C ATOM 556 CE LYS A 38 -1.571 -9.928 -8.505 1.00 0.00 C ATOM 557 NZ LYS A 38 -0.963 -11.120 -9.159 1.00 0.00 N ATOM 0 H LYS A 38 -0.813 -4.173 -7.755 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.676 -6.125 -6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.287 -6.248 -8.359 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.468 -7.552 -7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.895 -7.762 -8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.362 -6.749 -9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.911 -8.830 -10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.366 -8.498 -9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.100 -9.766 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.628 -10.116 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.085 -11.952 -8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.430 -11.291 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.051 -10.951 -9.315 1.00 0.00 H new ATOM 571 N CYS A 39 0.273 -5.170 -5.425 1.00 0.00 N ATOM 572 CA CYS A 39 1.109 -5.114 -4.232 1.00 0.00 C ATOM 573 C CYS A 39 0.991 -3.754 -3.549 1.00 0.00 C ATOM 574 O CYS A 39 1.336 -3.604 -2.376 1.00 0.00 O ATOM 575 CB CYS A 39 2.569 -5.391 -4.593 1.00 0.00 C ATOM 576 SG CYS A 39 3.293 -4.181 -5.746 1.00 0.00 S ATOM 0 H CYS A 39 0.645 -4.658 -6.225 1.00 0.00 H new ATOM 0 HA CYS A 39 0.762 -5.881 -3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.162 -5.405 -3.678 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.641 -6.385 -5.034 1.00 0.00 H new ATOM 0 HG CYS A 39 2.626 -4.192 -6.862 1.00 0.00 H new ATOM 581 N LEU A 40 0.502 -2.767 -4.291 1.00 0.00 N ATOM 582 CA LEU A 40 0.338 -1.419 -3.758 1.00 0.00 C ATOM 583 C LEU A 40 1.691 -0.787 -3.448 1.00 0.00 C ATOM 584 O LEU A 40 1.907 -0.260 -2.356 1.00 0.00 O ATOM 585 CB LEU A 40 -0.524 -1.450 -2.495 1.00 0.00 C ATOM 586 CG LEU A 40 -1.873 -2.159 -2.620 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.480 -2.398 -1.247 1.00 0.00 C ATOM 588 CD2 LEU A 40 -2.822 -1.349 -3.492 1.00 0.00 C ATOM 0 H LEU A 40 0.212 -2.874 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.160 -0.814 -4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.046 -1.934 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.704 -0.423 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.711 -3.126 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.440 -2.903 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.808 -3.019 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.628 -1.443 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.777 -1.868 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.978 -0.367 -3.045 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.391 -1.231 -4.486 1.00 0.00 H new ATOM 600 N HIS A 41 2.600 -0.842 -4.417 1.00 0.00 N ATOM 601 CA HIS A 41 3.932 -0.273 -4.249 1.00 0.00 C ATOM 602 C HIS A 41 4.131 0.927 -5.170 1.00 0.00 C ATOM 603 O HIS A 41 3.767 0.904 -6.346 1.00 0.00 O ATOM 604 CB HIS A 41 5.001 -1.330 -4.530 1.00 0.00 C ATOM 605 CG HIS A 41 6.398 -0.848 -4.287 1.00 0.00 C ATOM 606 ND1 HIS A 41 6.946 -0.734 -3.026 1.00 0.00 N ATOM 607 CD2 HIS A 41 7.362 -0.453 -5.151 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.185 -0.287 -3.126 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.462 -0.109 -4.405 1.00 0.00 N ATOM 0 H HIS A 41 2.438 -1.275 -5.326 1.00 0.00 H new ATOM 0 HA HIS A 41 4.028 0.064 -3.217 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.812 -2.202 -3.903 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.913 -1.657 -5.566 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.281 -0.415 -6.227 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.857 -0.099 -2.302 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.349 0.229 -4.778 1.00 0.00 H new ATOM 618 N PRO A 42 4.722 2.001 -4.625 1.00 0.00 N ATOM 619 CA PRO A 42 4.982 3.230 -5.381 1.00 0.00 C ATOM 620 C PRO A 42 6.069 3.044 -6.434 1.00 0.00 C ATOM 621 O PRO A 42 7.213 2.723 -6.110 1.00 0.00 O ATOM 622 CB PRO A 42 5.443 4.217 -4.306 1.00 0.00 C ATOM 623 CG PRO A 42 5.997 3.361 -3.219 1.00 0.00 C ATOM 624 CD PRO A 42 5.182 2.098 -3.230 1.00 0.00 C ATOM 0 HA PRO A 42 4.103 3.561 -5.935 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.197 4.902 -4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.614 4.827 -3.946 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.052 3.146 -3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.927 3.862 -2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.779 1.232 -2.943 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.345 2.154 -2.534 1.00 0.00 H new ATOM 632 N LEU A 43 5.705 3.247 -7.695 1.00 0.00 N ATOM 633 CA LEU A 43 6.650 3.102 -8.797 1.00 0.00 C ATOM 634 C LEU A 43 7.201 4.459 -9.224 1.00 0.00 C ATOM 635 O LEU A 43 7.500 4.677 -10.398 1.00 0.00 O ATOM 636 CB LEU A 43 5.977 2.415 -9.986 1.00 0.00 C ATOM 637 CG LEU A 43 5.475 0.991 -9.743 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.431 0.237 -8.832 1.00 0.00 C ATOM 639 CD2 LEU A 43 4.075 1.013 -9.149 1.00 0.00 C ATOM 0 H LEU A 43 4.762 3.513 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 43 7.480 2.486 -8.452 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.133 3.027 -10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.684 2.393 -10.815 1.00 0.00 H new ATOM 0 HG LEU A 43 5.433 0.472 -10.701 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.058 -0.774 -8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.416 0.190 -9.297 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.506 0.754 -7.875 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.734 -0.009 -8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.091 1.549 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.395 1.515 -9.838 1.00 0.00 H new ATOM 651 N ALA A 44 7.334 5.367 -8.263 1.00 0.00 N ATOM 652 CA ALA A 44 7.853 6.701 -8.539 1.00 0.00 C ATOM 653 C ALA A 44 9.239 6.631 -9.169 1.00 0.00 C ATOM 654 O ALA A 44 9.498 7.260 -10.194 1.00 0.00 O ATOM 655 CB ALA A 44 7.892 7.526 -7.261 1.00 0.00 C ATOM 0 H ALA A 44 7.090 5.203 -7.286 1.00 0.00 H new ATOM 0 HA ALA A 44 7.184 7.185 -9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.282 8.520 -7.481 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.885 7.613 -6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.538 7.037 -6.532 1.00 0.00 H new ATOM 661 N ASN A 45 10.129 5.863 -8.548 1.00 0.00 N ATOM 662 CA ASN A 45 11.490 5.713 -9.048 1.00 0.00 C ATOM 663 C ASN A 45 11.705 4.319 -9.630 1.00 0.00 C ATOM 664 O ASN A 45 12.777 4.013 -10.152 1.00 0.00 O ATOM 665 CB ASN A 45 12.499 5.970 -7.926 1.00 0.00 C ATOM 666 CG ASN A 45 12.297 7.319 -7.265 1.00 0.00 C ATOM 667 OD1 ASN A 45 13.048 8.263 -7.512 1.00 0.00 O ATOM 668 ND2 ASN A 45 11.279 7.417 -6.418 1.00 0.00 N ATOM 0 H ASN A 45 9.932 5.335 -7.698 1.00 0.00 H new ATOM 0 HA ASN A 45 11.642 6.446 -9.840 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.412 5.184 -7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.510 5.914 -8.330 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.094 8.300 -5.943 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.682 6.609 -6.243 1.00 0.00 H new ATOM 675 N GLU A 46 10.678 3.480 -9.538 1.00 0.00 N ATOM 676 CA GLU A 46 10.755 2.120 -10.056 1.00 0.00 C ATOM 677 C GLU A 46 10.040 2.008 -11.400 1.00 0.00 C ATOM 678 O GLU A 46 9.327 2.921 -11.815 1.00 0.00 O ATOM 679 CB GLU A 46 10.143 1.135 -9.058 1.00 0.00 C ATOM 680 CG GLU A 46 10.933 1.009 -7.765 1.00 0.00 C ATOM 681 CD GLU A 46 10.790 2.228 -6.874 1.00 0.00 C ATOM 682 OE1 GLU A 46 9.766 2.330 -6.167 1.00 0.00 O ATOM 683 OE2 GLU A 46 11.703 3.080 -6.884 1.00 0.00 O ATOM 0 H GLU A 46 9.784 3.719 -9.110 1.00 0.00 H new ATOM 0 HA GLU A 46 11.807 1.873 -10.201 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.127 1.452 -8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.070 0.154 -9.527 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.597 0.125 -7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.986 0.857 -8.000 1.00 0.00 H new ATOM 690 N THR A 47 10.238 0.881 -12.077 1.00 0.00 N ATOM 691 CA THR A 47 9.615 0.649 -13.374 1.00 0.00 C ATOM 692 C THR A 47 8.272 -0.055 -13.221 1.00 0.00 C ATOM 693 O THR A 47 8.070 -0.835 -12.289 1.00 0.00 O ATOM 694 CB THR A 47 10.522 -0.195 -14.290 1.00 0.00 C ATOM 695 OG1 THR A 47 11.843 0.359 -14.316 1.00 0.00 O ATOM 696 CG2 THR A 47 9.962 -0.251 -15.703 1.00 0.00 C ATOM 0 H THR A 47 10.825 0.115 -11.748 1.00 0.00 H new ATOM 0 HA THR A 47 9.460 1.627 -13.829 1.00 0.00 H new ATOM 0 HB THR A 47 10.561 -1.209 -13.892 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.414 -0.184 -14.899 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.619 -0.852 -16.331 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.969 -0.700 -15.683 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.896 0.759 -16.109 1.00 0.00 H new ATOM 704 N PHE A 48 7.354 0.225 -14.141 1.00 0.00 N ATOM 705 CA PHE A 48 6.029 -0.382 -14.108 1.00 0.00 C ATOM 706 C PHE A 48 5.594 -0.816 -15.504 1.00 0.00 C ATOM 707 O PHE A 48 6.318 -0.621 -16.481 1.00 0.00 O ATOM 708 CB PHE A 48 5.010 0.601 -13.527 1.00 0.00 C ATOM 709 CG PHE A 48 4.684 1.741 -14.448 1.00 0.00 C ATOM 710 CD1 PHE A 48 5.508 2.853 -14.514 1.00 0.00 C ATOM 711 CD2 PHE A 48 3.553 1.702 -15.248 1.00 0.00 C ATOM 712 CE1 PHE A 48 5.211 3.904 -15.362 1.00 0.00 C ATOM 713 CE2 PHE A 48 3.251 2.749 -16.097 1.00 0.00 C ATOM 714 CZ PHE A 48 4.080 3.852 -16.153 1.00 0.00 C ATOM 0 H PHE A 48 7.504 0.868 -14.918 1.00 0.00 H new ATOM 0 HA PHE A 48 6.077 -1.265 -13.471 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.092 0.063 -13.289 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.397 1.001 -12.590 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.392 2.899 -13.896 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.900 0.843 -15.207 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.862 4.764 -15.406 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.367 2.705 -16.716 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.844 4.673 -16.814 1.00 0.00 H new ATOM 724 N VAL A 49 4.407 -1.407 -15.591 1.00 0.00 N ATOM 725 CA VAL A 49 3.874 -1.869 -16.867 1.00 0.00 C ATOM 726 C VAL A 49 2.387 -1.556 -16.988 1.00 0.00 C ATOM 727 O VAL A 49 1.620 -1.766 -16.050 1.00 0.00 O ATOM 728 CB VAL A 49 4.084 -3.384 -17.048 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.539 -3.843 -18.391 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.558 -3.737 -16.912 1.00 0.00 C ATOM 0 H VAL A 49 3.796 -1.577 -14.792 1.00 0.00 H new ATOM 0 HA VAL A 49 4.419 -1.338 -17.648 1.00 0.00 H new ATOM 0 HB VAL A 49 3.535 -3.905 -16.264 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.697 -4.916 -18.500 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.472 -3.626 -18.444 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.057 -3.317 -19.193 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.688 -4.811 -17.043 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.131 -3.207 -17.673 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.912 -3.446 -15.923 1.00 0.00 H new ATOM 740 N ALA A 50 1.987 -1.051 -18.151 1.00 0.00 N ATOM 741 CA ALA A 50 0.591 -0.711 -18.396 1.00 0.00 C ATOM 742 C ALA A 50 -0.104 -1.797 -19.209 1.00 0.00 C ATOM 743 O ALA A 50 0.177 -1.977 -20.395 1.00 0.00 O ATOM 744 CB ALA A 50 0.492 0.629 -19.109 1.00 0.00 C ATOM 0 H ALA A 50 2.610 -0.869 -18.938 1.00 0.00 H new ATOM 0 HA ALA A 50 0.087 -0.636 -17.433 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.556 0.871 -19.286 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.944 1.405 -18.490 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.017 0.573 -20.062 1.00 0.00 H new ATOM 750 N LYS A 51 -1.014 -2.521 -18.566 1.00 0.00 N ATOM 751 CA LYS A 51 -1.751 -3.591 -19.229 1.00 0.00 C ATOM 752 C LYS A 51 -3.206 -3.612 -18.773 1.00 0.00 C ATOM 753 O LYS A 51 -3.517 -3.247 -17.639 1.00 0.00 O ATOM 754 CB LYS A 51 -1.096 -4.944 -18.941 1.00 0.00 C ATOM 755 CG LYS A 51 -0.015 -5.321 -19.940 1.00 0.00 C ATOM 756 CD LYS A 51 0.943 -6.350 -19.364 1.00 0.00 C ATOM 757 CE LYS A 51 0.303 -7.728 -19.293 1.00 0.00 C ATOM 758 NZ LYS A 51 0.010 -8.273 -20.648 1.00 0.00 N ATOM 0 H LYS A 51 -1.259 -2.386 -17.585 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.727 -3.404 -20.303 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.663 -4.923 -17.941 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.864 -5.717 -18.940 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.477 -5.718 -20.844 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.540 -4.429 -20.231 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.842 -6.396 -19.979 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.255 -6.040 -18.366 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.967 -8.410 -18.763 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.621 -7.670 -18.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.116 -9.304 -20.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.860 -7.839 -21.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.802 -8.058 -21.287 1.00 0.00 H new ATOM 772 N ASP A 52 -4.093 -4.042 -19.663 1.00 0.00 N ATOM 773 CA ASP A 52 -5.516 -4.113 -19.352 1.00 0.00 C ATOM 774 C ASP A 52 -5.965 -2.879 -18.577 1.00 0.00 C ATOM 775 O ASP A 52 -6.671 -2.985 -17.575 1.00 0.00 O ATOM 776 CB ASP A 52 -5.821 -5.376 -18.544 1.00 0.00 C ATOM 777 CG ASP A 52 -5.765 -6.632 -19.391 1.00 0.00 C ATOM 778 OD1 ASP A 52 -4.783 -6.796 -20.145 1.00 0.00 O ATOM 779 OD2 ASP A 52 -6.704 -7.451 -19.301 1.00 0.00 O ATOM 0 H ASP A 52 -3.852 -4.347 -20.606 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.066 -4.150 -20.292 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.107 -5.461 -17.725 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.811 -5.287 -18.096 1.00 0.00 H new ATOM 784 N ASN A 53 -5.550 -1.707 -19.048 1.00 0.00 N ATOM 785 CA ASN A 53 -5.908 -0.452 -18.398 1.00 0.00 C ATOM 786 C ASN A 53 -5.688 -0.537 -16.890 1.00 0.00 C ATOM 787 O ASN A 53 -6.515 -0.076 -16.104 1.00 0.00 O ATOM 788 CB ASN A 53 -7.367 -0.099 -18.692 1.00 0.00 C ATOM 789 CG ASN A 53 -7.708 1.326 -18.300 1.00 0.00 C ATOM 790 OD1 ASN A 53 -8.401 1.559 -17.309 1.00 0.00 O ATOM 791 ND2 ASN A 53 -7.222 2.286 -19.077 1.00 0.00 N ATOM 0 H ASN A 53 -4.966 -1.601 -19.877 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.264 0.331 -18.798 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.564 -0.237 -19.755 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.020 -0.787 -18.154 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.418 3.264 -18.863 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -6.652 2.046 -19.888 1.00 0.00 H new ATOM 798 N LYS A 54 -4.567 -1.130 -16.494 1.00 0.00 N ATOM 799 CA LYS A 54 -4.235 -1.276 -15.082 1.00 0.00 C ATOM 800 C LYS A 54 -2.730 -1.159 -14.862 1.00 0.00 C ATOM 801 O LYS A 54 -1.937 -1.688 -15.640 1.00 0.00 O ATOM 802 CB LYS A 54 -4.735 -2.623 -14.555 1.00 0.00 C ATOM 803 CG LYS A 54 -6.245 -2.692 -14.398 1.00 0.00 C ATOM 804 CD LYS A 54 -6.676 -3.980 -13.718 1.00 0.00 C ATOM 805 CE LYS A 54 -8.070 -3.856 -13.123 1.00 0.00 C ATOM 806 NZ LYS A 54 -9.107 -3.658 -14.173 1.00 0.00 N ATOM 0 H LYS A 54 -3.872 -1.518 -17.132 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.728 -0.473 -14.534 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.412 -3.412 -15.234 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.268 -2.822 -13.590 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.591 -1.838 -13.815 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.717 -2.621 -15.378 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.658 -4.797 -14.439 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.965 -4.233 -12.932 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.301 -4.754 -12.550 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.094 -3.018 -12.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.046 -3.612 -13.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.921 -2.770 -14.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.079 -4.453 -14.843 1.00 0.00 H new ATOM 820 N ILE A 55 -2.345 -0.465 -13.796 1.00 0.00 N ATOM 821 CA ILE A 55 -0.936 -0.282 -13.473 1.00 0.00 C ATOM 822 C ILE A 55 -0.414 -1.431 -12.618 1.00 0.00 C ATOM 823 O ILE A 55 -0.997 -1.767 -11.587 1.00 0.00 O ATOM 824 CB ILE A 55 -0.696 1.046 -12.729 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.311 2.210 -13.509 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.793 1.272 -12.515 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.649 2.458 -14.847 1.00 0.00 C ATOM 0 H ILE A 55 -2.989 -0.021 -13.142 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.396 -0.262 -14.420 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.179 0.992 -11.753 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.371 2.010 -13.669 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.245 3.116 -12.906 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.946 2.214 -11.988 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.204 0.454 -11.923 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.298 1.310 -13.480 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.136 3.297 -15.344 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.405 2.689 -14.694 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.738 1.567 -15.468 1.00 0.00 H new ATOM 839 N LEU A 56 0.689 -2.031 -13.052 1.00 0.00 N ATOM 840 CA LEU A 56 1.292 -3.143 -12.326 1.00 0.00 C ATOM 841 C LEU A 56 2.815 -3.069 -12.383 1.00 0.00 C ATOM 842 O LEU A 56 3.385 -2.504 -13.317 1.00 0.00 O ATOM 843 CB LEU A 56 0.813 -4.475 -12.904 1.00 0.00 C ATOM 844 CG LEU A 56 -0.637 -4.855 -12.601 1.00 0.00 C ATOM 845 CD1 LEU A 56 -1.066 -6.042 -13.449 1.00 0.00 C ATOM 846 CD2 LEU A 56 -0.809 -5.165 -11.121 1.00 0.00 C ATOM 0 H LEU A 56 1.184 -1.766 -13.903 1.00 0.00 H new ATOM 0 HA LEU A 56 0.982 -3.074 -11.283 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.942 -4.446 -13.986 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.461 -5.266 -12.527 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.274 -4.007 -12.851 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.100 -6.298 -13.220 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.981 -5.784 -14.505 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.424 -6.896 -13.231 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.847 -5.433 -10.924 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.160 -5.997 -10.846 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.543 -4.287 -10.532 1.00 0.00 H new ATOM 858 N CYS A 57 3.468 -3.646 -11.380 1.00 0.00 N ATOM 859 CA CYS A 57 4.925 -3.648 -11.316 1.00 0.00 C ATOM 860 C CYS A 57 5.491 -4.955 -11.863 1.00 0.00 C ATOM 861 O CYS A 57 4.751 -5.901 -12.129 1.00 0.00 O ATOM 862 CB CYS A 57 5.393 -3.439 -9.875 1.00 0.00 C ATOM 863 SG CYS A 57 5.240 -4.918 -8.822 1.00 0.00 S ATOM 0 H CYS A 57 3.011 -4.118 -10.600 1.00 0.00 H new ATOM 0 HA CYS A 57 5.293 -2.828 -11.932 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.435 -3.120 -9.885 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.816 -2.628 -9.431 1.00 0.00 H new ATOM 0 HG CYS A 57 4.556 -4.623 -7.757 1.00 0.00 H new ATOM 868 N ASN A 58 6.810 -4.999 -12.027 1.00 0.00 N ATOM 869 CA ASN A 58 7.476 -6.190 -12.542 1.00 0.00 C ATOM 870 C ASN A 58 7.218 -7.392 -11.639 1.00 0.00 C ATOM 871 O ASN A 58 6.813 -8.457 -12.104 1.00 0.00 O ATOM 872 CB ASN A 58 8.981 -5.944 -12.665 1.00 0.00 C ATOM 873 CG ASN A 58 9.303 -4.759 -13.554 1.00 0.00 C ATOM 874 OD1 ASN A 58 8.834 -4.674 -14.689 1.00 0.00 O ATOM 875 ND2 ASN A 58 10.108 -3.836 -13.041 1.00 0.00 N ATOM 0 H ASN A 58 7.438 -4.225 -11.811 1.00 0.00 H new ATOM 0 HA ASN A 58 7.067 -6.406 -13.529 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.401 -5.775 -11.673 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.461 -6.837 -13.067 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.360 -3.016 -13.593 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.474 -3.947 -12.095 1.00 0.00 H new ATOM 882 N LYS A 59 7.454 -7.213 -10.343 1.00 0.00 N ATOM 883 CA LYS A 59 7.245 -8.281 -9.373 1.00 0.00 C ATOM 884 C LYS A 59 5.895 -8.957 -9.589 1.00 0.00 C ATOM 885 O LYS A 59 5.788 -10.183 -9.541 1.00 0.00 O ATOM 886 CB LYS A 59 7.327 -7.726 -7.949 1.00 0.00 C ATOM 887 CG LYS A 59 8.743 -7.402 -7.503 1.00 0.00 C ATOM 888 CD LYS A 59 8.759 -6.748 -6.131 1.00 0.00 C ATOM 889 CE LYS A 59 10.134 -6.188 -5.797 1.00 0.00 C ATOM 890 NZ LYS A 59 10.187 -5.635 -4.416 1.00 0.00 N ATOM 0 H LYS A 59 7.790 -6.338 -9.941 1.00 0.00 H new ATOM 0 HA LYS A 59 8.030 -9.024 -9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.719 -6.824 -7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.895 -8.452 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.336 -8.316 -7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.211 -6.738 -8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.021 -5.946 -6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.469 -7.478 -5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.882 -6.974 -5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.391 -5.406 -6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.140 -5.263 -4.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.491 -4.868 -4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.967 -6.387 -3.732 1.00 0.00 H new ATOM 904 N CYS A 60 4.866 -8.151 -9.829 1.00 0.00 N ATOM 905 CA CYS A 60 3.523 -8.670 -10.054 1.00 0.00 C ATOM 906 C CYS A 60 3.399 -9.270 -11.452 1.00 0.00 C ATOM 907 O CYS A 60 3.184 -10.472 -11.608 1.00 0.00 O ATOM 908 CB CYS A 60 2.486 -7.560 -9.869 1.00 0.00 C ATOM 909 SG CYS A 60 2.123 -7.164 -8.129 1.00 0.00 S ATOM 0 H CYS A 60 4.937 -7.134 -9.873 1.00 0.00 H new ATOM 0 HA CYS A 60 3.337 -9.456 -9.322 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.841 -6.659 -10.369 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.561 -7.856 -10.364 1.00 0.00 H new ATOM 0 HG CYS A 60 1.855 -5.897 -8.019 1.00 0.00 H new ATOM 914 N THR A 61 3.537 -8.423 -12.467 1.00 0.00 N ATOM 915 CA THR A 61 3.439 -8.867 -13.852 1.00 0.00 C ATOM 916 C THR A 61 4.128 -10.213 -14.047 1.00 0.00 C ATOM 917 O THR A 61 3.778 -10.977 -14.947 1.00 0.00 O ATOM 918 CB THR A 61 4.062 -7.841 -14.817 1.00 0.00 C ATOM 919 OG1 THR A 61 5.436 -7.622 -14.480 1.00 0.00 O ATOM 920 CG2 THR A 61 3.306 -6.521 -14.765 1.00 0.00 C ATOM 0 H THR A 61 3.717 -7.425 -12.356 1.00 0.00 H new ATOM 0 HA THR A 61 2.377 -8.968 -14.077 1.00 0.00 H new ATOM 0 HB THR A 61 3.996 -8.241 -15.829 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.629 -8.033 -13.612 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.764 -5.812 -15.455 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.267 -6.685 -15.050 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.345 -6.119 -13.753 1.00 0.00 H new ATOM 1004 N PRO A 67 -4.724 -18.171 -14.128 1.00 0.00 N ATOM 1005 CA PRO A 67 -5.574 -18.840 -15.117 1.00 0.00 C ATOM 1006 C PRO A 67 -5.248 -18.415 -16.544 1.00 0.00 C ATOM 1007 O PRO A 67 -4.469 -17.487 -16.764 1.00 0.00 O ATOM 1008 CB PRO A 67 -6.986 -18.389 -14.734 1.00 0.00 C ATOM 1009 CG PRO A 67 -6.792 -17.088 -14.035 1.00 0.00 C ATOM 1010 CD PRO A 67 -5.474 -17.197 -13.318 1.00 0.00 C ATOM 0 HA PRO A 67 -5.439 -19.922 -15.105 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.618 -18.275 -15.615 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.472 -19.118 -14.086 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.783 -16.261 -14.745 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.604 -16.897 -13.333 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.962 -16.236 -13.270 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.602 -17.542 -12.292 1.00 0.00 H new ATOM 1018 N LYS A 68 -5.847 -19.100 -17.512 1.00 0.00 N ATOM 1019 CA LYS A 68 -5.622 -18.792 -18.920 1.00 0.00 C ATOM 1020 C LYS A 68 -6.945 -18.689 -19.673 1.00 0.00 C ATOM 1021 O LYS A 68 -7.983 -19.141 -19.189 1.00 0.00 O ATOM 1022 CB LYS A 68 -4.740 -19.865 -19.562 1.00 0.00 C ATOM 1023 CG LYS A 68 -5.374 -21.245 -19.578 1.00 0.00 C ATOM 1024 CD LYS A 68 -4.361 -22.320 -19.935 1.00 0.00 C ATOM 1025 CE LYS A 68 -5.019 -23.686 -20.059 1.00 0.00 C ATOM 1026 NZ LYS A 68 -4.025 -24.756 -20.350 1.00 0.00 N ATOM 0 H LYS A 68 -6.492 -19.873 -17.348 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.115 -17.829 -18.979 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.509 -19.569 -20.585 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.794 -19.915 -19.023 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.805 -21.460 -18.600 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.193 -21.262 -20.297 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.873 -22.063 -20.875 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.584 -22.357 -19.172 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.545 -23.921 -19.134 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.766 -23.659 -20.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.513 -25.671 -20.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.540 -24.545 -21.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.327 -24.800 -19.581 1.00 0.00 H new ATOM 1040 N CYS A 69 -6.900 -18.094 -20.860 1.00 0.00 N ATOM 1041 CA CYS A 69 -8.094 -17.932 -21.680 1.00 0.00 C ATOM 1042 C CYS A 69 -8.051 -18.858 -22.892 1.00 0.00 C ATOM 1043 O CYS A 69 -7.001 -19.404 -23.234 1.00 0.00 O ATOM 1044 CB CYS A 69 -8.230 -16.479 -22.140 1.00 0.00 C ATOM 1045 SG CYS A 69 -9.828 -16.094 -22.926 1.00 0.00 S ATOM 0 H CYS A 69 -6.049 -17.716 -21.276 1.00 0.00 H new ATOM 0 HA CYS A 69 -8.960 -18.196 -21.073 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -8.093 -15.823 -21.281 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -7.428 -16.255 -22.843 1.00 0.00 H new ATOM 0 HG CYS A 69 -9.996 -14.805 -22.958 1.00 0.00 H new ATOM 1050 N LYS A 70 -9.199 -19.032 -23.539 1.00 0.00 N ATOM 1051 CA LYS A 70 -9.294 -19.890 -24.713 1.00 0.00 C ATOM 1052 C LYS A 70 -9.547 -19.065 -25.971 1.00 0.00 C ATOM 1053 O LYS A 70 -9.222 -19.489 -27.079 1.00 0.00 O ATOM 1054 CB LYS A 70 -10.413 -20.918 -24.530 1.00 0.00 C ATOM 1055 CG LYS A 70 -10.306 -22.108 -25.468 1.00 0.00 C ATOM 1056 CD LYS A 70 -9.484 -23.229 -24.854 1.00 0.00 C ATOM 1057 CE LYS A 70 -9.800 -24.569 -25.499 1.00 0.00 C ATOM 1058 NZ LYS A 70 -8.917 -24.846 -26.665 1.00 0.00 N ATOM 0 H LYS A 70 -10.077 -18.589 -23.269 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.344 -20.413 -24.828 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.401 -21.276 -23.500 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.374 -20.428 -24.687 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.304 -22.476 -25.706 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.850 -21.793 -26.407 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.423 -23.009 -24.970 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.683 -23.283 -23.784 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.686 -25.363 -24.761 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.841 -24.580 -25.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.164 -25.769 -27.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.044 -24.102 -27.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.925 -24.861 -26.353 1.00 0.00 H new ATOM 1072 N GLY A 71 -10.128 -17.883 -25.791 1.00 0.00 N ATOM 1073 CA GLY A 71 -10.414 -17.017 -26.920 1.00 0.00 C ATOM 1074 C GLY A 71 -9.170 -16.338 -27.459 1.00 0.00 C ATOM 1075 O GLY A 71 -8.988 -16.231 -28.672 1.00 0.00 O ATOM 0 H GLY A 71 -10.406 -17.510 -24.883 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.878 -17.602 -27.714 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.137 -16.259 -26.619 1.00 0.00 H new ATOM 1079 N CYS A 72 -8.312 -15.876 -26.555 1.00 0.00 N ATOM 1080 CA CYS A 72 -7.080 -15.201 -26.945 1.00 0.00 C ATOM 1081 C CYS A 72 -5.860 -16.034 -26.565 1.00 0.00 C ATOM 1082 O CYS A 72 -4.757 -15.802 -27.061 1.00 0.00 O ATOM 1083 CB CYS A 72 -6.997 -13.824 -26.284 1.00 0.00 C ATOM 1084 SG CYS A 72 -7.096 -13.865 -24.465 1.00 0.00 S ATOM 0 H CYS A 72 -8.448 -15.957 -25.547 1.00 0.00 H new ATOM 0 HA CYS A 72 -7.090 -15.077 -28.028 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -6.060 -13.349 -26.576 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -7.804 -13.200 -26.667 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.164 -13.235 -24.074 1.00 0.00 H new ATOM 1089 N PHE A 73 -6.066 -17.006 -25.683 1.00 0.00 N ATOM 1090 CA PHE A 73 -4.983 -17.875 -25.235 1.00 0.00 C ATOM 1091 C PHE A 73 -3.940 -17.083 -24.452 1.00 0.00 C ATOM 1092 O PHE A 73 -2.744 -17.157 -24.737 1.00 0.00 O ATOM 1093 CB PHE A 73 -4.324 -18.563 -26.432 1.00 0.00 C ATOM 1094 CG PHE A 73 -5.303 -19.237 -27.350 1.00 0.00 C ATOM 1095 CD1 PHE A 73 -6.120 -20.256 -26.885 1.00 0.00 C ATOM 1096 CD2 PHE A 73 -5.407 -18.854 -28.677 1.00 0.00 C ATOM 1097 CE1 PHE A 73 -7.023 -20.878 -27.726 1.00 0.00 C ATOM 1098 CE2 PHE A 73 -6.308 -19.473 -29.523 1.00 0.00 C ATOM 1099 CZ PHE A 73 -7.116 -20.487 -29.047 1.00 0.00 C ATOM 0 H PHE A 73 -6.973 -17.212 -25.264 1.00 0.00 H new ATOM 0 HA PHE A 73 -5.407 -18.634 -24.577 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.757 -17.824 -26.998 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.611 -19.303 -26.068 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -6.050 -20.567 -25.853 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.777 -18.063 -29.055 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.655 -21.669 -27.350 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.380 -19.164 -30.555 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.819 -20.973 -29.707 1.00 0.00 H new ATOM 1109 N LYS A 74 -4.401 -16.325 -23.463 1.00 0.00 N ATOM 1110 CA LYS A 74 -3.510 -15.520 -22.636 1.00 0.00 C ATOM 1111 C LYS A 74 -3.808 -15.725 -21.154 1.00 0.00 C ATOM 1112 O LYS A 74 -4.933 -16.052 -20.778 1.00 0.00 O ATOM 1113 CB LYS A 74 -3.649 -14.038 -22.994 1.00 0.00 C ATOM 1114 CG LYS A 74 -2.976 -13.663 -24.303 1.00 0.00 C ATOM 1115 CD LYS A 74 -1.465 -13.606 -24.157 1.00 0.00 C ATOM 1116 CE LYS A 74 -0.771 -13.686 -25.508 1.00 0.00 C ATOM 1117 NZ LYS A 74 0.692 -13.929 -25.367 1.00 0.00 N ATOM 0 H LYS A 74 -5.388 -16.251 -23.215 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.487 -15.841 -22.830 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.708 -13.785 -23.054 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.223 -13.437 -22.191 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.241 -14.390 -25.071 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.347 -12.695 -24.639 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.182 -12.681 -23.655 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.128 -14.427 -23.525 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.217 -14.487 -26.098 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.934 -12.758 -26.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.128 -13.977 -26.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.122 -13.152 -24.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.848 -14.828 -24.867 1.00 0.00 H new ATOM 1131 N ALA A 75 -2.794 -15.530 -20.318 1.00 0.00 N ATOM 1132 CA ALA A 75 -2.949 -15.691 -18.878 1.00 0.00 C ATOM 1133 C ALA A 75 -3.941 -14.678 -18.316 1.00 0.00 C ATOM 1134 O ALA A 75 -3.656 -13.481 -18.261 1.00 0.00 O ATOM 1135 CB ALA A 75 -1.602 -15.554 -18.184 1.00 0.00 C ATOM 0 H ALA A 75 -1.856 -15.260 -20.614 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.343 -16.690 -18.689 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.733 -15.676 -17.109 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.921 -16.320 -18.556 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.186 -14.568 -18.389 1.00 0.00 H new ATOM 1141 N ILE A 76 -5.106 -15.165 -17.902 1.00 0.00 N ATOM 1142 CA ILE A 76 -6.139 -14.301 -17.345 1.00 0.00 C ATOM 1143 C ILE A 76 -5.737 -13.781 -15.969 1.00 0.00 C ATOM 1144 O ILE A 76 -5.293 -14.543 -15.110 1.00 0.00 O ATOM 1145 CB ILE A 76 -7.486 -15.038 -17.229 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -7.966 -15.489 -18.610 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -8.524 -14.144 -16.567 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -9.170 -16.404 -18.563 1.00 0.00 C ATOM 0 H ILE A 76 -5.358 -16.153 -17.942 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.251 -13.461 -18.030 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.347 -15.922 -16.607 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.211 -14.610 -19.205 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.150 -16.002 -19.120 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.471 -14.679 -16.492 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.183 -13.868 -15.569 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.663 -13.243 -17.165 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.455 -16.683 -19.577 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.923 -17.301 -17.995 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.001 -15.888 -18.082 1.00 0.00 H new ATOM 1160 N VAL A 77 -5.898 -12.477 -15.765 1.00 0.00 N ATOM 1161 CA VAL A 77 -5.555 -11.854 -14.492 1.00 0.00 C ATOM 1162 C VAL A 77 -6.681 -12.022 -13.477 1.00 0.00 C ATOM 1163 O VAL A 77 -7.859 -11.992 -13.831 1.00 0.00 O ATOM 1164 CB VAL A 77 -5.254 -10.354 -14.665 1.00 0.00 C ATOM 1165 CG1 VAL A 77 -4.831 -9.738 -13.340 1.00 0.00 C ATOM 1166 CG2 VAL A 77 -4.184 -10.144 -15.725 1.00 0.00 C ATOM 0 H VAL A 77 -6.264 -11.832 -16.465 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.660 -12.356 -14.124 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.164 -9.855 -14.997 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.622 -8.678 -13.482 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.633 -9.856 -12.611 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.934 -10.239 -12.976 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.984 -9.078 -15.834 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.270 -10.656 -15.425 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.530 -10.547 -16.677 1.00 0.00 H new ATOM 1176 N ALA A 78 -6.309 -12.198 -12.214 1.00 0.00 N ATOM 1177 CA ALA A 78 -7.287 -12.368 -11.146 1.00 0.00 C ATOM 1178 C ALA A 78 -8.221 -11.166 -11.061 1.00 0.00 C ATOM 1179 O ALA A 78 -9.440 -11.307 -11.150 1.00 0.00 O ATOM 1180 CB ALA A 78 -6.583 -12.587 -9.815 1.00 0.00 C ATOM 0 H ALA A 78 -5.337 -12.227 -11.905 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.889 -13.247 -11.375 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.326 -12.712 -9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.962 -13.481 -9.874 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.956 -11.725 -9.589 1.00 0.00 H new ATOM 1186 N GLY A 79 -7.641 -9.982 -10.887 1.00 0.00 N ATOM 1187 CA GLY A 79 -8.437 -8.772 -10.792 1.00 0.00 C ATOM 1188 C GLY A 79 -8.864 -8.251 -12.150 1.00 0.00 C ATOM 1189 O GLY A 79 -8.792 -7.050 -12.412 1.00 0.00 O ATOM 0 H GLY A 79 -6.634 -9.839 -10.810 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.322 -8.970 -10.187 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.863 -8.003 -10.275 1.00 0.00 H new ATOM 1193 N ASP A 80 -9.307 -9.155 -13.016 1.00 0.00 N ATOM 1194 CA ASP A 80 -9.747 -8.780 -14.355 1.00 0.00 C ATOM 1195 C ASP A 80 -11.077 -9.443 -14.696 1.00 0.00 C ATOM 1196 O ASP A 80 -11.489 -10.401 -14.042 1.00 0.00 O ATOM 1197 CB ASP A 80 -8.689 -9.168 -15.390 1.00 0.00 C ATOM 1198 CG ASP A 80 -7.631 -8.096 -15.566 1.00 0.00 C ATOM 1199 OD1 ASP A 80 -7.182 -7.532 -14.546 1.00 0.00 O ATOM 1200 OD2 ASP A 80 -7.252 -7.822 -16.724 1.00 0.00 O ATOM 0 H ASP A 80 -9.371 -10.153 -12.815 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.885 -7.699 -14.376 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.211 -10.099 -15.086 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.174 -9.357 -16.348 1.00 0.00 H new ATOM 1205 N GLN A 81 -11.744 -8.927 -15.724 1.00 0.00 N ATOM 1206 CA GLN A 81 -13.029 -9.469 -16.150 1.00 0.00 C ATOM 1207 C GLN A 81 -12.841 -10.771 -16.922 1.00 0.00 C ATOM 1208 O GLN A 81 -12.109 -10.818 -17.910 1.00 0.00 O ATOM 1209 CB GLN A 81 -13.774 -8.451 -17.015 1.00 0.00 C ATOM 1210 CG GLN A 81 -13.959 -7.101 -16.343 1.00 0.00 C ATOM 1211 CD GLN A 81 -15.037 -6.264 -17.001 1.00 0.00 C ATOM 1212 OE1 GLN A 81 -15.429 -6.519 -18.141 1.00 0.00 O ATOM 1213 NE2 GLN A 81 -15.525 -5.257 -16.286 1.00 0.00 N ATOM 0 H GLN A 81 -11.416 -8.135 -16.277 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.620 -9.679 -15.259 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.228 -8.311 -17.948 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -14.752 -8.855 -17.275 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.213 -7.254 -15.294 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -13.016 -6.555 -16.367 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.172 -5.081 -15.345 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -16.253 -4.659 -16.677 1.00 0.00 H new ATOM 1222 N ASN A 82 -13.508 -11.826 -16.465 1.00 0.00 N ATOM 1223 CA ASN A 82 -13.414 -13.129 -17.113 1.00 0.00 C ATOM 1224 C ASN A 82 -14.756 -13.853 -17.077 1.00 0.00 C ATOM 1225 O ASN A 82 -15.625 -13.533 -16.265 1.00 0.00 O ATOM 1226 CB ASN A 82 -12.342 -13.983 -16.434 1.00 0.00 C ATOM 1227 CG ASN A 82 -12.169 -13.635 -14.968 1.00 0.00 C ATOM 1228 OD1 ASN A 82 -13.067 -13.854 -14.156 1.00 0.00 O ATOM 1229 ND2 ASN A 82 -11.008 -13.089 -14.623 1.00 0.00 N ATOM 0 H ASN A 82 -14.119 -11.804 -15.649 1.00 0.00 H new ATOM 0 HA ASN A 82 -13.136 -12.970 -18.155 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.608 -15.036 -16.526 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -11.392 -13.848 -16.951 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -10.833 -12.834 -13.651 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -10.291 -12.925 -15.330 1.00 0.00 H new ATOM 1236 N VAL A 83 -14.919 -14.832 -17.961 1.00 0.00 N ATOM 1237 CA VAL A 83 -16.155 -15.603 -18.029 1.00 0.00 C ATOM 1238 C VAL A 83 -15.872 -17.100 -17.972 1.00 0.00 C ATOM 1239 O VAL A 83 -15.364 -17.682 -18.930 1.00 0.00 O ATOM 1240 CB VAL A 83 -16.942 -15.289 -19.316 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -18.311 -15.950 -19.278 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -17.071 -13.786 -19.507 1.00 0.00 C ATOM 0 H VAL A 83 -14.211 -15.110 -18.640 1.00 0.00 H new ATOM 0 HA VAL A 83 -16.755 -15.316 -17.166 1.00 0.00 H new ATOM 0 HB VAL A 83 -16.393 -15.694 -20.166 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -18.853 -15.718 -20.195 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -18.191 -17.030 -19.191 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.871 -15.577 -18.421 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.629 -13.582 -20.421 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -17.598 -13.355 -18.656 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.078 -13.342 -19.582 1.00 0.00 H new ATOM 1252 N GLU A 84 -16.205 -17.717 -16.843 1.00 0.00 N ATOM 1253 CA GLU A 84 -15.986 -19.147 -16.661 1.00 0.00 C ATOM 1254 C GLU A 84 -17.274 -19.929 -16.902 1.00 0.00 C ATOM 1255 O GLU A 84 -18.314 -19.630 -16.315 1.00 0.00 O ATOM 1256 CB GLU A 84 -15.461 -19.430 -15.252 1.00 0.00 C ATOM 1257 CG GLU A 84 -14.756 -20.770 -15.123 1.00 0.00 C ATOM 1258 CD GLU A 84 -14.889 -21.369 -13.737 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -14.376 -20.759 -12.776 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -15.507 -22.447 -13.612 1.00 0.00 O ATOM 0 H GLU A 84 -16.627 -17.249 -16.041 1.00 0.00 H new ATOM 0 HA GLU A 84 -15.243 -19.470 -17.390 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.771 -18.637 -14.964 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.294 -19.398 -14.550 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.167 -21.464 -15.856 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.700 -20.645 -15.361 1.00 0.00 H new ATOM 1267 N TYR A 85 -17.196 -20.932 -17.770 1.00 0.00 N ATOM 1268 CA TYR A 85 -18.355 -21.756 -18.092 1.00 0.00 C ATOM 1269 C TYR A 85 -18.149 -23.193 -17.622 1.00 0.00 C ATOM 1270 O TYR A 85 -18.686 -23.606 -16.594 1.00 0.00 O ATOM 1271 CB TYR A 85 -18.621 -21.734 -19.598 1.00 0.00 C ATOM 1272 CG TYR A 85 -19.537 -22.841 -20.068 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -20.673 -23.183 -19.344 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -19.267 -23.545 -21.235 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -21.513 -24.194 -19.769 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -20.102 -24.557 -21.668 1.00 0.00 C ATOM 1277 CZ TYR A 85 -21.223 -24.878 -20.932 1.00 0.00 C ATOM 1278 OH TYR A 85 -22.057 -25.886 -21.359 1.00 0.00 O ATOM 0 H TYR A 85 -16.342 -21.194 -18.263 1.00 0.00 H new ATOM 0 HA TYR A 85 -19.219 -21.342 -17.571 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -19.059 -20.773 -19.867 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.671 -21.811 -20.127 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.903 -22.649 -18.434 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -18.389 -23.297 -21.814 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.392 -24.448 -19.194 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.878 -25.094 -22.578 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.711 -26.265 -22.194 1.00 0.00 H new ATOM 1288 N LYS A 86 -17.367 -23.951 -18.383 1.00 0.00 N ATOM 1289 CA LYS A 86 -17.086 -25.342 -18.046 1.00 0.00 C ATOM 1290 C LYS A 86 -15.592 -25.634 -18.142 1.00 0.00 C ATOM 1291 O LYS A 86 -15.100 -26.064 -19.185 1.00 0.00 O ATOM 1292 CB LYS A 86 -17.861 -26.279 -18.974 1.00 0.00 C ATOM 1293 CG LYS A 86 -19.305 -26.493 -18.555 1.00 0.00 C ATOM 1294 CD LYS A 86 -19.938 -27.654 -19.305 1.00 0.00 C ATOM 1295 CE LYS A 86 -21.329 -27.967 -18.776 1.00 0.00 C ATOM 1296 NZ LYS A 86 -21.284 -28.539 -17.402 1.00 0.00 N ATOM 0 H LYS A 86 -16.916 -23.625 -19.238 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.406 -25.513 -17.018 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -17.841 -25.873 -19.985 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.355 -27.244 -19.008 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.349 -26.684 -17.483 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -19.877 -25.584 -18.740 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.997 -27.414 -20.367 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.305 -28.537 -19.212 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -21.929 -27.057 -18.771 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.823 -28.671 -19.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.213 -28.940 -17.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -20.563 -29.287 -17.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.045 -27.790 -16.722 1.00 0.00 H new ATOM 1310 N GLY A 87 -14.875 -25.399 -17.047 1.00 0.00 N ATOM 1311 CA GLY A 87 -13.445 -25.645 -17.030 1.00 0.00 C ATOM 1312 C GLY A 87 -12.660 -24.547 -17.721 1.00 0.00 C ATOM 1313 O GLY A 87 -11.591 -24.150 -17.255 1.00 0.00 O ATOM 0 H GLY A 87 -15.259 -25.043 -16.172 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -13.107 -25.735 -15.998 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -13.237 -26.598 -17.517 1.00 0.00 H new ATOM 1317 N THR A 88 -13.190 -24.055 -18.836 1.00 0.00 N ATOM 1318 CA THR A 88 -12.530 -22.999 -19.594 1.00 0.00 C ATOM 1319 C THR A 88 -13.231 -21.660 -19.394 1.00 0.00 C ATOM 1320 O THR A 88 -14.440 -21.543 -19.597 1.00 0.00 O ATOM 1321 CB THR A 88 -12.493 -23.326 -21.099 1.00 0.00 C ATOM 1322 OG1 THR A 88 -13.704 -23.983 -21.487 1.00 0.00 O ATOM 1323 CG2 THR A 88 -11.301 -24.211 -21.430 1.00 0.00 C ATOM 0 H THR A 88 -14.074 -24.371 -19.234 1.00 0.00 H new ATOM 0 HA THR A 88 -11.509 -22.932 -19.219 1.00 0.00 H new ATOM 0 HB THR A 88 -12.395 -22.391 -21.650 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.673 -24.186 -22.445 1.00 0.00 H new ATOM 0 HG21 THR A 88 -11.295 -24.429 -22.498 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.379 -23.696 -21.160 1.00 0.00 H new ATOM 0 HG23 THR A 88 -11.373 -25.143 -20.870 1.00 0.00 H new ATOM 1331 N VAL A 89 -12.464 -20.649 -18.995 1.00 0.00 N ATOM 1332 CA VAL A 89 -13.012 -19.317 -18.770 1.00 0.00 C ATOM 1333 C VAL A 89 -12.506 -18.331 -19.817 1.00 0.00 C ATOM 1334 O VAL A 89 -11.299 -18.147 -19.979 1.00 0.00 O ATOM 1335 CB VAL A 89 -12.650 -18.791 -17.368 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -11.321 -19.370 -16.907 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -12.609 -17.271 -17.364 1.00 0.00 C ATOM 0 H VAL A 89 -11.462 -20.728 -18.821 1.00 0.00 H new ATOM 0 HA VAL A 89 -14.096 -19.403 -18.849 1.00 0.00 H new ATOM 0 HB VAL A 89 -13.421 -19.113 -16.668 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.082 -18.987 -15.915 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.391 -20.457 -16.869 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.536 -19.081 -17.606 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.352 -16.917 -16.366 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.860 -16.925 -18.076 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -13.586 -16.880 -17.647 1.00 0.00 H new ATOM 1347 N TRP A 90 -13.435 -17.699 -20.524 1.00 0.00 N ATOM 1348 CA TRP A 90 -13.083 -16.730 -21.555 1.00 0.00 C ATOM 1349 C TRP A 90 -13.318 -15.305 -21.067 1.00 0.00 C ATOM 1350 O TRP A 90 -14.298 -15.029 -20.375 1.00 0.00 O ATOM 1351 CB TRP A 90 -13.897 -16.987 -22.825 1.00 0.00 C ATOM 1352 CG TRP A 90 -13.998 -18.439 -23.181 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -14.542 -19.434 -22.420 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -13.540 -19.059 -24.388 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -14.450 -20.635 -23.081 1.00 0.00 N ATOM 1356 CE2 TRP A 90 -13.840 -20.432 -24.291 1.00 0.00 C ATOM 1357 CE3 TRP A 90 -12.908 -18.589 -25.542 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 -13.528 -21.336 -25.303 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 -12.598 -19.487 -26.545 1.00 0.00 C ATOM 1360 CH2 TRP A 90 -12.909 -20.847 -26.421 1.00 0.00 C ATOM 0 H TRP A 90 -14.438 -17.840 -20.402 1.00 0.00 H new ATOM 0 HA TRP A 90 -12.023 -16.847 -21.780 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -14.900 -16.582 -22.693 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -13.442 -16.447 -23.655 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -14.980 -19.297 -21.442 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -14.782 -21.533 -22.728 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -12.666 -17.542 -25.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -13.766 -22.385 -25.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -12.107 -19.134 -27.440 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -12.655 -21.523 -27.224 1.00 0.00 H new ATOM 1371 N HIS A 91 -12.413 -14.402 -21.431 1.00 0.00 N ATOM 1372 CA HIS A 91 -12.522 -13.004 -21.030 1.00 0.00 C ATOM 1373 C HIS A 91 -13.921 -12.465 -21.314 1.00 0.00 C ATOM 1374 O HIS A 91 -14.662 -13.027 -22.121 1.00 0.00 O ATOM 1375 CB HIS A 91 -11.479 -12.158 -21.760 1.00 0.00 C ATOM 1376 CG HIS A 91 -10.088 -12.339 -21.236 1.00 0.00 C ATOM 1377 ND1 HIS A 91 -9.078 -12.926 -21.969 1.00 0.00 N ATOM 1378 CD2 HIS A 91 -9.540 -12.005 -20.044 1.00 0.00 C ATOM 1379 CE1 HIS A 91 -7.970 -12.947 -21.250 1.00 0.00 C ATOM 1380 NE2 HIS A 91 -8.223 -12.394 -20.077 1.00 0.00 N ATOM 0 H HIS A 91 -11.596 -14.614 -22.003 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.339 -12.945 -19.957 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.495 -12.411 -22.820 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.755 -11.107 -21.679 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -10.045 -11.522 -19.220 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -7.019 -13.348 -21.567 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.550 -12.275 -19.320 1.00 0.00 H new ATOM 1388 N LYS A 92 -14.277 -11.373 -20.646 1.00 0.00 N ATOM 1389 CA LYS A 92 -15.586 -10.757 -20.827 1.00 0.00 C ATOM 1390 C LYS A 92 -15.728 -10.185 -22.233 1.00 0.00 C ATOM 1391 O LYS A 92 -16.805 -9.732 -22.623 1.00 0.00 O ATOM 1392 CB LYS A 92 -15.800 -9.652 -19.790 1.00 0.00 C ATOM 1393 CG LYS A 92 -16.565 -10.110 -18.561 1.00 0.00 C ATOM 1394 CD LYS A 92 -17.985 -10.524 -18.910 1.00 0.00 C ATOM 1395 CE LYS A 92 -18.807 -10.803 -17.662 1.00 0.00 C ATOM 1396 NZ LYS A 92 -20.252 -10.981 -17.977 1.00 0.00 N ATOM 0 H LYS A 92 -13.676 -10.896 -19.974 1.00 0.00 H new ATOM 0 HA LYS A 92 -16.345 -11.527 -20.689 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -14.830 -9.264 -19.480 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -16.339 -8.827 -20.256 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -16.044 -10.948 -18.098 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -16.590 -9.305 -17.826 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -18.462 -9.736 -19.492 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -17.961 -11.415 -19.538 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -18.429 -11.700 -17.171 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -18.688 -9.980 -16.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -20.778 -11.169 -17.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -20.619 -10.116 -18.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -20.369 -11.782 -18.629 1.00 0.00 H new ATOM 1410 N ASP A 93 -14.637 -10.210 -22.990 1.00 0.00 N ATOM 1411 CA ASP A 93 -14.642 -9.695 -24.355 1.00 0.00 C ATOM 1412 C ASP A 93 -14.524 -10.833 -25.365 1.00 0.00 C ATOM 1413 O ASP A 93 -14.998 -10.724 -26.496 1.00 0.00 O ATOM 1414 CB ASP A 93 -13.495 -8.702 -24.552 1.00 0.00 C ATOM 1415 CG ASP A 93 -13.481 -8.103 -25.945 1.00 0.00 C ATOM 1416 OD1 ASP A 93 -12.950 -8.758 -26.866 1.00 0.00 O ATOM 1417 OD2 ASP A 93 -14.000 -6.980 -26.113 1.00 0.00 O ATOM 0 H ASP A 93 -13.738 -10.581 -22.682 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.589 -9.182 -24.520 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.580 -7.902 -23.816 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.546 -9.206 -24.367 1.00 0.00 H new ATOM 1422 N CYS A 94 -13.889 -11.923 -24.949 1.00 0.00 N ATOM 1423 CA CYS A 94 -13.707 -13.081 -25.817 1.00 0.00 C ATOM 1424 C CYS A 94 -14.992 -13.898 -25.910 1.00 0.00 C ATOM 1425 O CYS A 94 -15.346 -14.399 -26.977 1.00 0.00 O ATOM 1426 CB CYS A 94 -12.567 -13.959 -25.298 1.00 0.00 C ATOM 1427 SG CYS A 94 -10.911 -13.232 -25.512 1.00 0.00 S ATOM 0 H CYS A 94 -13.491 -12.029 -24.016 1.00 0.00 H new ATOM 0 HA CYS A 94 -13.454 -12.721 -26.814 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -12.730 -14.159 -24.239 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -12.600 -14.919 -25.812 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.014 -14.170 -25.448 1.00 0.00 H new ATOM 1432 N PHE A 95 -15.687 -14.027 -24.784 1.00 0.00 N ATOM 1433 CA PHE A 95 -16.933 -14.784 -24.738 1.00 0.00 C ATOM 1434 C PHE A 95 -18.065 -14.010 -25.408 1.00 0.00 C ATOM 1435 O PHE A 95 -18.786 -13.255 -24.755 1.00 0.00 O ATOM 1436 CB PHE A 95 -17.306 -15.104 -23.289 1.00 0.00 C ATOM 1437 CG PHE A 95 -18.108 -16.365 -23.141 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -19.370 -16.469 -23.703 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -17.599 -17.447 -22.440 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -20.110 -17.629 -23.569 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -18.335 -18.609 -22.303 1.00 0.00 C ATOM 1442 CZ PHE A 95 -19.592 -18.700 -22.867 1.00 0.00 C ATOM 0 H PHE A 95 -15.409 -13.618 -23.892 1.00 0.00 H new ATOM 0 HA PHE A 95 -16.783 -15.717 -25.282 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -16.394 -15.191 -22.698 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -17.875 -14.271 -22.876 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -19.780 -15.634 -24.252 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -16.617 -17.381 -21.996 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -21.092 -17.698 -24.013 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -17.927 -19.445 -21.755 1.00 0.00 H new ATOM 0 HZ PHE A 95 -20.169 -19.607 -22.760 1.00 0.00 H new