USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 551 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 37 SER OG : rot -111:sc= 1.14 USER MOD Set 1.2: A 79 SER OG : rot 180:sc= 0.978 USER MOD Set 2.1: A 70 THR OG1 : rot -50:sc= 1.68 USER MOD Set 2.2: A 76 LYS NZ :NH3+ -170:sc= 0.705 (180deg=0) USER MOD Set 3.1: A 64 ASN : amide:sc= 1.57 K(o=2.3,f=-1.5) USER MOD Set 3.2: A 80 LYS NZ :NH3+ -162:sc= 0.748 (180deg=0) USER MOD Set 4.1: A 45 SER OG : rot 80:sc= 1.96 USER MOD Set 4.2: A 58 THR OG1 : rot 93:sc= 0.905 USER MOD Set 5.1: A 42 HIS : no HD1:sc= -0.313 K(o=-1,f=-9!) USER MOD Set 5.2: A 46 HIS : no HD1:sc= -0.343 K(o=-1,f=-8.4!) USER MOD Set 5.3: A 56 HIS : no HD1:sc= -0.353 X(o=-1,f=-0.83) USER MOD Single : A 12 GLN : amide:sc= 2.81 K(o=2.8,f=-10!) USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 0.721 (180deg=0.703) USER MOD Single : A 17 THR OG1 : rot -42:sc= 1.19 USER MOD Single : A 22 SER OG : rot 140:sc= 0.35 USER MOD Single : A 26 LYS NZ :NH3+ 143:sc= 1.13 (180deg=0.211) USER MOD Single : A 27 SER OG : rot -39:sc= 0.705 USER MOD Single : A 32 THR OG1 : rot 65:sc= 0.562 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= 0.537 (180deg=0.258) USER MOD Single : A 51 SER OG : rot -55:sc= 0.319 USER MOD Single : A 53 GLN : amide:sc= 0.969 K(o=0.97,f=-0.2) USER MOD Single : A 55 MET CE :methyl 171:sc= 0 (180deg=-0.0976) USER MOD Single : A 57 HIS : no HD1:sc= -6.33! C(o=-6.3!,f=-8.4!) USER MOD Single : A 69 GLN : amide:sc= -1.72! C(o=-1.7!,f=-2.2!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.182 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0292) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 13.347 1.047 -8.171 1.00 0.00 N ATOM 62 CA GLY A 5 14.675 1.147 -7.586 1.00 0.00 C ATOM 63 C GLY A 5 14.929 0.178 -6.433 1.00 0.00 C ATOM 64 O GLY A 5 15.827 -0.655 -6.527 1.00 0.00 O ATOM 0 HA2 GLY A 5 15.417 0.969 -8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 5 14.826 2.166 -7.229 1.00 0.00 H new ATOM 68 N ALA A 6 14.160 0.347 -5.355 1.00 0.00 N ATOM 69 CA ALA A 6 14.164 -0.328 -4.062 1.00 0.00 C ATOM 70 C ALA A 6 14.085 0.726 -2.957 1.00 0.00 C ATOM 71 O ALA A 6 14.602 1.829 -3.118 1.00 0.00 O ATOM 72 CB ALA A 6 15.401 -1.184 -3.836 1.00 0.00 C ATOM 0 H ALA A 6 13.425 1.054 -5.376 1.00 0.00 H new ATOM 0 HA ALA A 6 13.303 -0.997 -4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.341 -1.658 -2.856 1.00 0.00 H new ATOM 0 HB2 ALA A 6 15.458 -1.952 -4.608 1.00 0.00 H new ATOM 0 HB3 ALA A 6 16.291 -0.556 -3.882 1.00 0.00 H new ATOM 78 N CYS A 7 13.401 0.406 -1.857 1.00 0.00 N ATOM 79 CA CYS A 7 13.270 1.278 -0.700 1.00 0.00 C ATOM 80 C CYS A 7 13.325 0.472 0.596 1.00 0.00 C ATOM 81 O CYS A 7 12.888 -0.676 0.617 1.00 0.00 O ATOM 82 CB CYS A 7 11.949 2.034 -0.785 1.00 0.00 C ATOM 83 SG CYS A 7 11.694 3.075 0.659 1.00 0.00 S ATOM 0 H CYS A 7 12.915 -0.484 -1.748 1.00 0.00 H new ATOM 0 HA CYS A 7 14.099 1.985 -0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.937 2.649 -1.685 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.127 1.324 -0.873 1.00 0.00 H new ATOM 88 N GLU A 8 13.826 1.081 1.675 1.00 0.00 N ATOM 89 CA GLU A 8 13.884 0.514 3.006 1.00 0.00 C ATOM 90 C GLU A 8 12.714 1.072 3.828 1.00 0.00 C ATOM 91 O GLU A 8 12.037 0.305 4.511 1.00 0.00 O ATOM 92 CB GLU A 8 15.239 0.839 3.647 1.00 0.00 C ATOM 93 CG GLU A 8 16.416 0.142 2.943 1.00 0.00 C ATOM 94 CD GLU A 8 16.717 0.709 1.557 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.104 1.897 1.501 1.00 0.00 O ATOM 96 OE2 GLU A 8 16.545 -0.047 0.577 1.00 0.00 O ATOM 0 H GLU A 8 14.216 2.022 1.632 1.00 0.00 H new ATOM 0 HA GLU A 8 13.793 -0.572 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.396 1.917 3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.221 0.540 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.306 0.232 3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.197 -0.922 2.852 1.00 0.00 H new ATOM 103 N ARG A 9 12.460 2.387 3.784 1.00 0.00 N ATOM 104 CA ARG A 9 11.321 3.001 4.470 1.00 0.00 C ATOM 105 C ARG A 9 10.811 4.252 3.751 1.00 0.00 C ATOM 106 O ARG A 9 11.584 4.978 3.121 1.00 0.00 O ATOM 107 CB ARG A 9 11.587 3.257 5.963 1.00 0.00 C ATOM 108 CG ARG A 9 12.441 4.487 6.306 1.00 0.00 C ATOM 109 CD ARG A 9 13.872 4.411 5.764 1.00 0.00 C ATOM 110 NE ARG A 9 14.654 5.596 6.144 1.00 0.00 N ATOM 111 CZ ARG A 9 15.210 5.812 7.345 1.00 0.00 C ATOM 112 NH1 ARG A 9 15.082 4.912 8.326 1.00 0.00 N ATOM 113 NH2 ARG A 9 15.895 6.940 7.559 1.00 0.00 N ATOM 0 H ARG A 9 13.039 3.052 3.272 1.00 0.00 H new ATOM 0 HA ARG A 9 10.517 2.266 4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.626 3.357 6.468 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.076 2.376 6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.957 5.378 5.906 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.477 4.603 7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.360 3.514 6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.847 4.323 4.678 1.00 0.00 H new ATOM 0 HE ARG A 9 14.785 6.316 5.433 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.558 4.052 8.164 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.509 5.085 9.236 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.991 7.628 6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.321 7.113 8.469 1.00 0.00 H new ATOM 127 N ASP A 10 9.500 4.483 3.892 1.00 0.00 N ATOM 128 CA ASP A 10 8.698 5.536 3.269 1.00 0.00 C ATOM 129 C ASP A 10 9.456 6.840 3.033 1.00 0.00 C ATOM 130 O ASP A 10 9.398 7.395 1.938 1.00 0.00 O ATOM 131 CB ASP A 10 7.475 5.828 4.139 1.00 0.00 C ATOM 132 CG ASP A 10 6.321 4.851 3.985 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.465 3.754 3.399 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.248 5.218 4.504 1.00 0.00 O ATOM 0 H ASP A 10 8.930 3.889 4.494 1.00 0.00 H new ATOM 0 HA ASP A 10 8.412 5.156 2.288 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.786 5.836 5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.115 6.830 3.906 1.00 0.00 H new ATOM 139 N LEU A 11 10.138 7.327 4.074 1.00 0.00 N ATOM 140 CA LEU A 11 10.908 8.569 4.083 1.00 0.00 C ATOM 141 C LEU A 11 11.686 8.805 2.783 1.00 0.00 C ATOM 142 O LEU A 11 11.795 9.942 2.330 1.00 0.00 O ATOM 143 CB LEU A 11 11.897 8.559 5.260 1.00 0.00 C ATOM 144 CG LEU A 11 11.242 8.610 6.652 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.313 8.325 7.711 1.00 0.00 C ATOM 146 CD2 LEU A 11 10.622 9.984 6.938 1.00 0.00 C ATOM 0 H LEU A 11 10.168 6.843 4.971 1.00 0.00 H new ATOM 0 HA LEU A 11 10.187 9.380 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.509 7.660 5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.570 9.411 5.159 1.00 0.00 H new ATOM 0 HG LEU A 11 10.448 7.864 6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.862 8.358 8.703 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.740 7.337 7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.099 9.077 7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.170 9.980 7.930 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.397 10.749 6.896 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.858 10.201 6.192 1.00 0.00 H new ATOM 158 N GLN A 12 12.246 7.743 2.200 1.00 0.00 N ATOM 159 CA GLN A 12 13.065 7.823 1.003 1.00 0.00 C ATOM 160 C GLN A 12 12.283 8.165 -0.271 1.00 0.00 C ATOM 161 O GLN A 12 12.857 8.748 -1.188 1.00 0.00 O ATOM 162 CB GLN A 12 13.770 6.477 0.819 1.00 0.00 C ATOM 163 CG GLN A 12 14.571 6.082 2.064 1.00 0.00 C ATOM 164 CD GLN A 12 15.144 4.684 1.905 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.478 3.708 2.235 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.367 4.564 1.404 1.00 0.00 N ATOM 0 H GLN A 12 12.138 6.793 2.556 1.00 0.00 H new ATOM 0 HA GLN A 12 13.770 8.641 1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.031 5.706 0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.437 6.530 -0.041 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.378 6.796 2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.929 6.121 2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.894 5.396 1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.780 3.639 1.283 1.00 0.00 H new ATOM 175 N CYS A 13 11.008 7.775 -0.362 1.00 0.00 N ATOM 176 CA CYS A 13 10.212 7.940 -1.578 1.00 0.00 C ATOM 177 C CYS A 13 9.295 9.158 -1.490 1.00 0.00 C ATOM 178 O CYS A 13 9.085 9.727 -0.419 1.00 0.00 O ATOM 179 CB CYS A 13 9.375 6.681 -1.835 1.00 0.00 C ATOM 180 SG CYS A 13 10.290 5.136 -2.028 1.00 0.00 S ATOM 0 H CYS A 13 10.500 7.336 0.406 1.00 0.00 H new ATOM 0 HA CYS A 13 10.903 8.096 -2.406 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.674 6.562 -1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.782 6.842 -2.736 1.00 0.00 H new ATOM 185 N GLY A 14 8.740 9.564 -2.637 1.00 0.00 N ATOM 186 CA GLY A 14 7.791 10.664 -2.694 1.00 0.00 C ATOM 187 C GLY A 14 6.519 10.261 -1.958 1.00 0.00 C ATOM 188 O GLY A 14 6.097 9.106 -2.013 1.00 0.00 O ATOM 0 H GLY A 14 8.939 9.138 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.222 11.557 -2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.564 10.912 -3.731 1.00 0.00 H new ATOM 192 N LYS A 15 5.869 11.228 -1.314 1.00 0.00 N ATOM 193 CA LYS A 15 4.718 10.966 -0.452 1.00 0.00 C ATOM 194 C LYS A 15 3.464 10.527 -1.217 1.00 0.00 C ATOM 195 O LYS A 15 2.477 10.128 -0.606 1.00 0.00 O ATOM 196 CB LYS A 15 4.498 12.146 0.507 1.00 0.00 C ATOM 197 CG LYS A 15 5.804 12.635 1.169 1.00 0.00 C ATOM 198 CD LYS A 15 6.676 11.498 1.734 1.00 0.00 C ATOM 199 CE LYS A 15 8.057 11.996 2.173 1.00 0.00 C ATOM 200 NZ LYS A 15 8.987 10.862 2.316 1.00 0.00 N ATOM 0 H LYS A 15 6.125 12.214 -1.375 1.00 0.00 H new ATOM 0 HA LYS A 15 4.947 10.094 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.043 12.972 -0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.792 11.850 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 15 6.384 13.196 0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.556 13.325 1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.169 11.040 2.584 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.794 10.722 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.446 12.704 1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 15 7.975 12.530 3.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.905 11.207 2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.597 10.176 2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.117 10.401 1.393 1.00 0.00 H new ATOM 214 N GLY A 16 3.510 10.557 -2.553 1.00 0.00 N ATOM 215 CA GLY A 16 2.469 9.985 -3.393 1.00 0.00 C ATOM 216 C GLY A 16 2.659 8.465 -3.513 1.00 0.00 C ATOM 217 O GLY A 16 1.937 7.806 -4.260 1.00 0.00 O ATOM 0 H GLY A 16 4.275 10.981 -3.077 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.489 10.204 -2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.498 10.442 -4.382 1.00 0.00 H new ATOM 221 N THR A 17 3.646 7.893 -2.814 1.00 0.00 N ATOM 222 CA THR A 17 3.926 6.472 -2.813 1.00 0.00 C ATOM 223 C THR A 17 4.290 6.071 -1.377 1.00 0.00 C ATOM 224 O THR A 17 4.525 6.949 -0.547 1.00 0.00 O ATOM 225 CB THR A 17 5.099 6.197 -3.783 1.00 0.00 C ATOM 226 OG1 THR A 17 6.323 6.637 -3.233 1.00 0.00 O ATOM 227 CG2 THR A 17 4.964 6.884 -5.149 1.00 0.00 C ATOM 0 H THR A 17 4.282 8.428 -2.222 1.00 0.00 H new ATOM 0 HA THR A 17 3.065 5.890 -3.143 1.00 0.00 H new ATOM 0 HB THR A 17 5.075 5.117 -3.929 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.193 7.506 -2.800 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.828 6.639 -5.767 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.055 6.538 -5.642 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.913 7.964 -5.010 1.00 0.00 H new ATOM 235 N CYS A 18 4.333 4.771 -1.076 1.00 0.00 N ATOM 236 CA CYS A 18 4.793 4.240 0.204 1.00 0.00 C ATOM 237 C CYS A 18 5.764 3.097 -0.098 1.00 0.00 C ATOM 238 O CYS A 18 5.741 2.546 -1.202 1.00 0.00 O ATOM 239 CB CYS A 18 3.631 3.785 1.101 1.00 0.00 C ATOM 240 SG CYS A 18 3.338 2.005 1.152 1.00 0.00 S ATOM 0 H CYS A 18 4.042 4.045 -1.731 1.00 0.00 H new ATOM 0 HA CYS A 18 5.297 5.024 0.770 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.821 4.133 2.116 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.719 4.276 0.761 1.00 0.00 H new ATOM 245 N CYS A 19 6.628 2.734 0.850 1.00 0.00 N ATOM 246 CA CYS A 19 7.605 1.680 0.614 1.00 0.00 C ATOM 247 C CYS A 19 7.008 0.340 1.006 1.00 0.00 C ATOM 248 O CYS A 19 7.102 -0.045 2.168 1.00 0.00 O ATOM 249 CB CYS A 19 8.905 1.988 1.349 1.00 0.00 C ATOM 250 SG CYS A 19 9.669 3.452 0.639 1.00 0.00 S ATOM 0 H CYS A 19 6.669 3.152 1.780 1.00 0.00 H new ATOM 0 HA CYS A 19 7.853 1.629 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.706 2.147 2.409 1.00 0.00 H new ATOM 0 HB3 CYS A 19 9.585 1.139 1.276 1.00 0.00 H new ATOM 255 N ALA A 20 6.401 -0.360 0.043 1.00 0.00 N ATOM 256 CA ALA A 20 5.787 -1.672 0.244 1.00 0.00 C ATOM 257 C ALA A 20 6.617 -2.720 -0.473 1.00 0.00 C ATOM 258 O ALA A 20 7.446 -2.389 -1.315 1.00 0.00 O ATOM 259 CB ALA A 20 4.329 -1.720 -0.224 1.00 0.00 C ATOM 0 H ALA A 20 6.322 -0.022 -0.916 1.00 0.00 H new ATOM 0 HA ALA A 20 5.769 -1.877 1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.924 -2.717 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.744 -0.989 0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.281 -1.488 -1.288 1.00 0.00 H new ATOM 265 N VAL A 21 6.405 -3.982 -0.105 1.00 0.00 N ATOM 266 CA VAL A 21 7.124 -5.125 -0.641 1.00 0.00 C ATOM 267 C VAL A 21 7.015 -5.155 -2.183 1.00 0.00 C ATOM 268 O VAL A 21 6.140 -4.499 -2.744 1.00 0.00 O ATOM 269 CB VAL A 21 6.577 -6.397 0.044 1.00 0.00 C ATOM 270 CG1 VAL A 21 7.462 -7.597 -0.279 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.503 -6.324 1.578 1.00 0.00 C ATOM 0 H VAL A 21 5.708 -4.240 0.594 1.00 0.00 H new ATOM 0 HA VAL A 21 8.191 -5.060 -0.426 1.00 0.00 H new ATOM 0 HB VAL A 21 5.564 -6.493 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.063 -8.485 0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.481 -7.755 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.474 -7.409 0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.107 -7.262 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.501 -6.155 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.848 -5.504 1.872 1.00 0.00 H new ATOM 281 N SER A 22 7.900 -5.869 -2.893 1.00 0.00 N ATOM 282 CA SER A 22 7.771 -6.090 -4.338 1.00 0.00 C ATOM 283 C SER A 22 6.887 -7.325 -4.546 1.00 0.00 C ATOM 284 O SER A 22 7.048 -8.332 -3.856 1.00 0.00 O ATOM 285 CB SER A 22 9.148 -6.229 -5.025 1.00 0.00 C ATOM 286 OG SER A 22 9.075 -6.960 -6.249 1.00 0.00 O ATOM 0 H SER A 22 8.723 -6.308 -2.481 1.00 0.00 H new ATOM 0 HA SER A 22 7.304 -5.225 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.555 -5.237 -5.221 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.840 -6.729 -4.347 1.00 0.00 H new ATOM 0 HG SER A 22 9.658 -6.540 -6.916 1.00 0.00 H new ATOM 292 N LEU A 23 5.904 -7.260 -5.456 1.00 0.00 N ATOM 293 CA LEU A 23 5.062 -8.410 -5.781 1.00 0.00 C ATOM 294 C LEU A 23 5.914 -9.570 -6.296 1.00 0.00 C ATOM 295 O LEU A 23 5.501 -10.722 -6.181 1.00 0.00 O ATOM 296 CB LEU A 23 4.017 -8.036 -6.847 1.00 0.00 C ATOM 297 CG LEU A 23 2.645 -7.535 -6.362 1.00 0.00 C ATOM 298 CD1 LEU A 23 1.788 -8.684 -5.825 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.658 -6.458 -5.283 1.00 0.00 C ATOM 0 H LEU A 23 5.675 -6.415 -5.980 1.00 0.00 H new ATOM 0 HA LEU A 23 4.549 -8.716 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.449 -7.264 -7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.851 -8.911 -7.475 1.00 0.00 H new ATOM 0 HG LEU A 23 2.232 -7.086 -7.265 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.826 -8.295 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.628 -9.418 -6.614 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.299 -9.158 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.634 -6.188 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.167 -6.837 -4.397 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.183 -5.578 -5.654 1.00 0.00 H new ATOM 311 N TRP A 24 7.088 -9.275 -6.861 1.00 0.00 N ATOM 312 CA TRP A 24 7.931 -10.276 -7.488 1.00 0.00 C ATOM 313 C TRP A 24 9.048 -10.685 -6.530 1.00 0.00 C ATOM 314 O TRP A 24 9.040 -11.811 -6.034 1.00 0.00 O ATOM 315 CB TRP A 24 8.365 -9.742 -8.859 1.00 0.00 C ATOM 316 CG TRP A 24 7.192 -9.304 -9.685 1.00 0.00 C ATOM 317 CD1 TRP A 24 6.421 -10.114 -10.444 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.511 -8.013 -9.665 1.00 0.00 C ATOM 319 NE1 TRP A 24 5.302 -9.429 -10.874 1.00 0.00 N ATOM 320 CE2 TRP A 24 5.287 -8.138 -10.385 1.00 0.00 C ATOM 321 CE3 TRP A 24 6.772 -6.767 -9.052 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.355 -7.092 -10.466 1.00 0.00 C ATOM 323 CZ3 TRP A 24 5.846 -5.709 -9.132 1.00 0.00 C ATOM 324 CH2 TRP A 24 4.633 -5.875 -9.824 1.00 0.00 C ATOM 0 H TRP A 24 7.474 -8.331 -6.892 1.00 0.00 H new ATOM 0 HA TRP A 24 7.406 -11.210 -7.689 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.047 -8.903 -8.723 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.916 -10.517 -9.393 1.00 0.00 H new ATOM 0 HD1 TRP A 24 6.647 -11.144 -10.679 1.00 0.00 H new ATOM 0 HE1 TRP A 24 4.580 -9.826 -11.475 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.697 -6.624 -8.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.435 -7.222 -11.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 6.069 -4.764 -8.659 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.917 -5.068 -9.861 1.00 0.00 H new ATOM 335 N ILE A 25 9.984 -9.786 -6.208 1.00 0.00 N ATOM 336 CA ILE A 25 11.039 -10.107 -5.261 1.00 0.00 C ATOM 337 C ILE A 25 10.510 -9.762 -3.873 1.00 0.00 C ATOM 338 O ILE A 25 10.873 -8.758 -3.264 1.00 0.00 O ATOM 339 CB ILE A 25 12.383 -9.468 -5.653 1.00 0.00 C ATOM 340 CG1 ILE A 25 13.478 -9.901 -4.665 1.00 0.00 C ATOM 341 CG2 ILE A 25 12.327 -7.948 -5.792 1.00 0.00 C ATOM 342 CD1 ILE A 25 14.893 -9.607 -5.174 1.00 0.00 C ATOM 0 H ILE A 25 10.027 -8.841 -6.589 1.00 0.00 H new ATOM 0 HA ILE A 25 11.285 -11.169 -5.266 1.00 0.00 H new ATOM 0 HB ILE A 25 12.627 -9.836 -6.649 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.326 -9.389 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.382 -10.969 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 25 13.311 -7.572 -6.070 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.605 -7.680 -6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.025 -7.507 -4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 25 15.622 -9.935 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.061 -10.141 -6.109 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.004 -8.536 -5.342 1.00 0.00 H new ATOM 354 N LYS A 26 9.672 -10.654 -3.348 1.00 0.00 N ATOM 355 CA LYS A 26 9.023 -10.512 -2.050 1.00 0.00 C ATOM 356 C LYS A 26 9.991 -10.304 -0.871 1.00 0.00 C ATOM 357 O LYS A 26 9.541 -10.044 0.241 1.00 0.00 O ATOM 358 CB LYS A 26 8.092 -11.709 -1.813 1.00 0.00 C ATOM 359 CG LYS A 26 6.987 -11.791 -2.878 1.00 0.00 C ATOM 360 CD LYS A 26 6.048 -12.963 -2.568 1.00 0.00 C ATOM 361 CE LYS A 26 4.903 -13.070 -3.583 1.00 0.00 C ATOM 362 NZ LYS A 26 5.394 -13.289 -4.956 1.00 0.00 N ATOM 0 H LYS A 26 9.420 -11.518 -3.828 1.00 0.00 H new ATOM 0 HA LYS A 26 8.443 -9.590 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.675 -12.630 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.639 -11.628 -0.825 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.423 -10.859 -2.902 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.430 -11.920 -3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.618 -13.892 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.634 -12.840 -1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.244 -13.891 -3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.307 -12.158 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.751 -13.935 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.432 -12.380 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.346 -13.706 -4.922 1.00 0.00 H new ATOM 376 N SER A 27 11.308 -10.406 -1.090 1.00 0.00 N ATOM 377 CA SER A 27 12.314 -10.186 -0.060 1.00 0.00 C ATOM 378 C SER A 27 12.784 -8.725 -0.042 1.00 0.00 C ATOM 379 O SER A 27 13.654 -8.398 0.764 1.00 0.00 O ATOM 380 CB SER A 27 13.499 -11.130 -0.301 1.00 0.00 C ATOM 381 OG SER A 27 14.424 -11.045 0.765 1.00 0.00 O ATOM 0 H SER A 27 11.703 -10.646 -1.999 1.00 0.00 H new ATOM 0 HA SER A 27 11.871 -10.398 0.913 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.141 -12.155 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.991 -10.873 -1.239 1.00 0.00 H new ATOM 0 HG SER A 27 14.503 -10.113 1.056 1.00 0.00 H new ATOM 387 N VAL A 28 12.273 -7.866 -0.934 1.00 0.00 N ATOM 388 CA VAL A 28 12.660 -6.464 -1.039 1.00 0.00 C ATOM 389 C VAL A 28 11.400 -5.612 -1.200 1.00 0.00 C ATOM 390 O VAL A 28 10.358 -6.113 -1.625 1.00 0.00 O ATOM 391 CB VAL A 28 13.637 -6.304 -2.221 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.768 -4.852 -2.696 1.00 0.00 C ATOM 393 CG2 VAL A 28 15.021 -6.857 -1.856 1.00 0.00 C ATOM 0 H VAL A 28 11.564 -8.138 -1.615 1.00 0.00 H new ATOM 0 HA VAL A 28 13.173 -6.126 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 28 13.217 -6.878 -3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.469 -4.804 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.794 -4.486 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.135 -4.233 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 28 15.696 -6.735 -2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.415 -6.314 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.936 -7.915 -1.609 1.00 0.00 H new ATOM 403 N ARG A 29 11.499 -4.326 -0.841 1.00 0.00 N ATOM 404 CA ARG A 29 10.423 -3.350 -0.921 1.00 0.00 C ATOM 405 C ARG A 29 10.806 -2.226 -1.886 1.00 0.00 C ATOM 406 O ARG A 29 11.992 -1.995 -2.114 1.00 0.00 O ATOM 407 CB ARG A 29 10.083 -2.842 0.486 1.00 0.00 C ATOM 408 CG ARG A 29 10.030 -3.967 1.540 1.00 0.00 C ATOM 409 CD ARG A 29 8.922 -3.760 2.582 1.00 0.00 C ATOM 410 NE ARG A 29 8.737 -2.353 2.928 1.00 0.00 N ATOM 411 CZ ARG A 29 9.593 -1.613 3.639 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.700 -2.148 4.153 1.00 0.00 N ATOM 413 NH2 ARG A 29 9.345 -0.318 3.824 1.00 0.00 N ATOM 0 H ARG A 29 12.365 -3.930 -0.475 1.00 0.00 H new ATOM 0 HA ARG A 29 9.521 -3.813 -1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.826 -2.104 0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.120 -2.332 0.459 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.875 -4.922 1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.992 -4.027 2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.985 -4.163 2.197 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.165 -4.324 3.483 1.00 0.00 H new ATOM 0 HE ARG A 29 7.885 -1.898 2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.904 -3.136 4.006 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.343 -1.569 4.693 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.506 0.103 3.424 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.994 0.253 4.366 1.00 0.00 H new ATOM 427 N VAL A 30 9.810 -1.566 -2.489 1.00 0.00 N ATOM 428 CA VAL A 30 9.970 -0.542 -3.514 1.00 0.00 C ATOM 429 C VAL A 30 8.963 0.600 -3.307 1.00 0.00 C ATOM 430 O VAL A 30 7.947 0.420 -2.622 1.00 0.00 O ATOM 431 CB VAL A 30 9.779 -1.184 -4.905 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.627 -2.447 -5.103 1.00 0.00 C ATOM 433 CG2 VAL A 30 8.312 -1.548 -5.190 1.00 0.00 C ATOM 0 H VAL A 30 8.831 -1.743 -2.262 1.00 0.00 H new ATOM 0 HA VAL A 30 10.972 -0.119 -3.443 1.00 0.00 H new ATOM 0 HB VAL A 30 10.110 -0.416 -5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.449 -2.852 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.683 -2.197 -4.996 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.352 -3.191 -4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.234 -1.996 -6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.962 -2.259 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.699 -0.647 -5.150 1.00 0.00 H new ATOM 443 N CYS A 31 9.230 1.762 -3.926 1.00 0.00 N ATOM 444 CA CYS A 31 8.324 2.911 -3.904 1.00 0.00 C ATOM 445 C CYS A 31 7.055 2.496 -4.651 1.00 0.00 C ATOM 446 O CYS A 31 7.008 2.567 -5.879 1.00 0.00 O ATOM 447 CB CYS A 31 8.917 4.157 -4.597 1.00 0.00 C ATOM 448 SG CYS A 31 10.507 4.834 -4.063 1.00 0.00 S ATOM 0 H CYS A 31 10.085 1.926 -4.457 1.00 0.00 H new ATOM 0 HA CYS A 31 8.135 3.183 -2.866 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.007 3.923 -5.658 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.181 4.956 -4.508 1.00 0.00 H new ATOM 453 N THR A 32 6.032 2.042 -3.935 1.00 0.00 N ATOM 454 CA THR A 32 4.791 1.552 -4.517 1.00 0.00 C ATOM 455 C THR A 32 3.761 2.684 -4.421 1.00 0.00 C ATOM 456 O THR A 32 3.652 3.307 -3.366 1.00 0.00 O ATOM 457 CB THR A 32 4.377 0.297 -3.741 1.00 0.00 C ATOM 458 OG1 THR A 32 5.462 -0.612 -3.687 1.00 0.00 O ATOM 459 CG2 THR A 32 3.158 -0.413 -4.333 1.00 0.00 C ATOM 0 H THR A 32 6.044 2.004 -2.916 1.00 0.00 H new ATOM 0 HA THR A 32 4.888 1.275 -5.567 1.00 0.00 H new ATOM 0 HB THR A 32 4.097 0.632 -2.742 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.196 -0.215 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.922 -1.292 -3.733 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.306 0.266 -4.333 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.377 -0.720 -5.356 1.00 0.00 H new ATOM 467 N PRO A 33 3.033 3.015 -5.497 1.00 0.00 N ATOM 468 CA PRO A 33 2.098 4.129 -5.486 1.00 0.00 C ATOM 469 C PRO A 33 0.949 3.910 -4.504 1.00 0.00 C ATOM 470 O PRO A 33 0.570 2.773 -4.224 1.00 0.00 O ATOM 471 CB PRO A 33 1.598 4.261 -6.928 1.00 0.00 C ATOM 472 CG PRO A 33 1.748 2.842 -7.477 1.00 0.00 C ATOM 473 CD PRO A 33 3.015 2.342 -6.784 1.00 0.00 C ATOM 0 HA PRO A 33 2.583 5.044 -5.146 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.563 4.601 -6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.190 4.978 -7.496 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.884 2.222 -7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.852 2.837 -8.562 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.997 1.259 -6.662 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.904 2.582 -7.367 1.00 0.00 H new ATOM 481 N VAL A 34 0.404 5.008 -3.967 1.00 0.00 N ATOM 482 CA VAL A 34 -0.763 4.929 -3.095 1.00 0.00 C ATOM 483 C VAL A 34 -1.947 4.339 -3.869 1.00 0.00 C ATOM 484 O VAL A 34 -2.027 4.462 -5.092 1.00 0.00 O ATOM 485 CB VAL A 34 -1.120 6.301 -2.499 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.076 6.733 -1.468 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.300 7.381 -3.569 1.00 0.00 C ATOM 0 H VAL A 34 0.753 5.954 -4.122 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.524 4.272 -2.259 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.083 6.185 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.349 7.706 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.035 6.000 -0.662 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.901 6.801 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.551 8.328 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.374 7.493 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.104 7.092 -4.246 1.00 0.00 H new ATOM 497 N GLY A 35 -2.871 3.696 -3.154 1.00 0.00 N ATOM 498 CA GLY A 35 -4.026 3.065 -3.772 1.00 0.00 C ATOM 499 C GLY A 35 -4.943 4.064 -4.478 1.00 0.00 C ATOM 500 O GLY A 35 -4.994 5.238 -4.121 1.00 0.00 O ATOM 0 H GLY A 35 -2.836 3.601 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.685 2.321 -4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.595 2.534 -3.009 1.00 0.00 H new ATOM 504 N THR A 36 -5.695 3.595 -5.469 1.00 0.00 N ATOM 505 CA THR A 36 -6.650 4.373 -6.247 1.00 0.00 C ATOM 506 C THR A 36 -7.874 3.477 -6.468 1.00 0.00 C ATOM 507 O THR A 36 -7.800 2.284 -6.174 1.00 0.00 O ATOM 508 CB THR A 36 -6.007 4.794 -7.581 1.00 0.00 C ATOM 509 OG1 THR A 36 -5.489 3.672 -8.271 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.860 5.784 -7.358 1.00 0.00 C ATOM 0 H THR A 36 -5.653 2.619 -5.764 1.00 0.00 H new ATOM 0 HA THR A 36 -6.947 5.286 -5.732 1.00 0.00 H new ATOM 0 HB THR A 36 -6.792 5.267 -8.172 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.087 3.964 -9.116 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.427 6.062 -8.319 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.241 6.676 -6.860 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.095 5.320 -6.736 1.00 0.00 H new ATOM 518 N SER A 37 -8.976 4.023 -6.995 1.00 0.00 N ATOM 519 CA SER A 37 -10.213 3.300 -7.264 1.00 0.00 C ATOM 520 C SER A 37 -9.974 1.906 -7.860 1.00 0.00 C ATOM 521 O SER A 37 -9.578 1.798 -9.018 1.00 0.00 O ATOM 522 CB SER A 37 -11.062 4.141 -8.221 1.00 0.00 C ATOM 523 OG SER A 37 -11.266 5.428 -7.668 1.00 0.00 O ATOM 0 H SER A 37 -9.028 5.009 -7.252 1.00 0.00 H new ATOM 0 HA SER A 37 -10.727 3.143 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.565 4.224 -9.187 1.00 0.00 H new ATOM 0 HB3 SER A 37 -12.021 3.653 -8.397 1.00 0.00 H new ATOM 0 HG SER A 37 -12.207 5.529 -7.414 1.00 0.00 H new ATOM 529 N GLY A 38 -10.221 0.853 -7.074 1.00 0.00 N ATOM 530 CA GLY A 38 -10.099 -0.539 -7.491 1.00 0.00 C ATOM 531 C GLY A 38 -8.867 -1.253 -6.927 1.00 0.00 C ATOM 532 O GLY A 38 -8.881 -2.478 -6.817 1.00 0.00 O ATOM 0 H GLY A 38 -10.519 0.953 -6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.993 -1.080 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.063 -0.580 -8.580 1.00 0.00 H new ATOM 536 N GLU A 39 -7.803 -0.528 -6.569 1.00 0.00 N ATOM 537 CA GLU A 39 -6.583 -1.151 -6.066 1.00 0.00 C ATOM 538 C GLU A 39 -6.835 -1.838 -4.722 1.00 0.00 C ATOM 539 O GLU A 39 -7.531 -1.293 -3.869 1.00 0.00 O ATOM 540 CB GLU A 39 -5.472 -0.103 -5.915 1.00 0.00 C ATOM 541 CG GLU A 39 -5.126 0.598 -7.237 1.00 0.00 C ATOM 542 CD GLU A 39 -4.623 -0.375 -8.299 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.612 -1.052 -8.013 1.00 0.00 O ATOM 544 OE2 GLU A 39 -5.264 -0.431 -9.371 1.00 0.00 O ATOM 0 H GLU A 39 -7.765 0.490 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.267 -1.905 -6.787 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.781 0.644 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.577 -0.584 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.009 1.116 -7.612 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.365 1.357 -7.054 1.00 0.00 H new ATOM 551 N ASP A 40 -6.264 -3.028 -4.521 1.00 0.00 N ATOM 552 CA ASP A 40 -6.384 -3.755 -3.266 1.00 0.00 C ATOM 553 C ASP A 40 -5.680 -2.983 -2.148 1.00 0.00 C ATOM 554 O ASP A 40 -4.702 -2.281 -2.404 1.00 0.00 O ATOM 555 CB ASP A 40 -5.766 -5.150 -3.414 1.00 0.00 C ATOM 556 CG ASP A 40 -6.546 -6.022 -4.391 1.00 0.00 C ATOM 557 OD1 ASP A 40 -6.297 -5.869 -5.606 1.00 0.00 O ATOM 558 OD2 ASP A 40 -7.375 -6.821 -3.905 1.00 0.00 O ATOM 0 H ASP A 40 -5.707 -3.510 -5.226 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.439 -3.860 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.736 -5.055 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.734 -5.637 -2.439 1.00 0.00 H new ATOM 563 N CYS A 41 -6.156 -3.118 -0.907 1.00 0.00 N ATOM 564 CA CYS A 41 -5.540 -2.476 0.247 1.00 0.00 C ATOM 565 C CYS A 41 -5.768 -3.294 1.502 1.00 0.00 C ATOM 566 O CYS A 41 -6.747 -4.025 1.610 1.00 0.00 O ATOM 567 CB CYS A 41 -6.026 -1.031 0.433 1.00 0.00 C ATOM 568 SG CYS A 41 -6.264 -0.438 2.128 1.00 0.00 S ATOM 0 H CYS A 41 -6.979 -3.676 -0.679 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.468 -2.428 0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.311 -0.370 -0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.973 -0.924 -0.096 1.00 0.00 H new ATOM 573 N HIS A 42 -4.849 -3.144 2.450 1.00 0.00 N ATOM 574 CA HIS A 42 -4.946 -3.750 3.765 1.00 0.00 C ATOM 575 C HIS A 42 -5.465 -2.638 4.673 1.00 0.00 C ATOM 576 O HIS A 42 -4.861 -1.564 4.679 1.00 0.00 O ATOM 577 CB HIS A 42 -3.570 -4.247 4.229 1.00 0.00 C ATOM 578 CG HIS A 42 -3.633 -5.040 5.507 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.261 -4.551 6.653 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.185 -6.307 5.760 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.187 -5.550 7.538 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.549 -6.625 7.052 1.00 0.00 N ATOM 0 H HIS A 42 -4.004 -2.588 2.320 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.605 -4.619 3.775 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.129 -4.864 3.446 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.909 -3.392 4.370 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.645 -6.942 5.074 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.596 -5.497 8.536 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.369 -7.502 7.540 1.00 0.00 H new ATOM 590 N PRO A 43 -6.555 -2.833 5.431 1.00 0.00 N ATOM 591 CA PRO A 43 -7.105 -1.782 6.275 1.00 0.00 C ATOM 592 C PRO A 43 -6.072 -1.199 7.250 1.00 0.00 C ATOM 593 O PRO A 43 -6.227 -0.058 7.675 1.00 0.00 O ATOM 594 CB PRO A 43 -8.312 -2.405 6.984 1.00 0.00 C ATOM 595 CG PRO A 43 -8.039 -3.908 6.926 1.00 0.00 C ATOM 596 CD PRO A 43 -7.295 -4.072 5.602 1.00 0.00 C ATOM 0 HA PRO A 43 -7.407 -0.921 5.679 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.396 -2.054 8.012 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.245 -2.149 6.483 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.437 -4.242 7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.962 -4.487 6.944 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.625 -4.931 5.629 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.989 -4.235 4.777 1.00 0.00 H new ATOM 604 N ALA A 44 -5.011 -1.947 7.584 1.00 0.00 N ATOM 605 CA ALA A 44 -3.943 -1.484 8.460 1.00 0.00 C ATOM 606 C ALA A 44 -2.713 -1.015 7.668 1.00 0.00 C ATOM 607 O ALA A 44 -1.616 -0.987 8.224 1.00 0.00 O ATOM 608 CB ALA A 44 -3.586 -2.593 9.453 1.00 0.00 C ATOM 0 H ALA A 44 -4.875 -2.900 7.246 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.298 -0.614 9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.787 -2.250 10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.463 -2.844 10.049 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.253 -3.476 8.908 1.00 0.00 H new ATOM 614 N SER A 45 -2.867 -0.643 6.388 1.00 0.00 N ATOM 615 CA SER A 45 -1.791 -0.073 5.596 1.00 0.00 C ATOM 616 C SER A 45 -1.322 1.197 6.305 1.00 0.00 C ATOM 617 O SER A 45 -2.019 2.209 6.286 1.00 0.00 O ATOM 618 CB SER A 45 -2.292 0.271 4.190 1.00 0.00 C ATOM 619 OG SER A 45 -2.529 -0.900 3.429 1.00 0.00 O ATOM 0 H SER A 45 -3.747 -0.733 5.881 1.00 0.00 H new ATOM 0 HA SER A 45 -0.973 -0.786 5.498 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.210 0.854 4.261 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.557 0.895 3.682 1.00 0.00 H new ATOM 0 HG SER A 45 -3.392 -1.287 3.684 1.00 0.00 H new ATOM 625 N HIS A 46 -0.143 1.134 6.926 1.00 0.00 N ATOM 626 CA HIS A 46 0.425 2.213 7.729 1.00 0.00 C ATOM 627 C HIS A 46 0.411 3.530 6.962 1.00 0.00 C ATOM 628 O HIS A 46 0.621 3.526 5.745 1.00 0.00 O ATOM 629 CB HIS A 46 1.849 1.874 8.207 1.00 0.00 C ATOM 630 CG HIS A 46 2.118 0.405 8.260 1.00 0.00 C ATOM 631 ND1 HIS A 46 2.504 -0.327 7.132 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.692 -0.445 9.229 1.00 0.00 C ATOM 633 CE1 HIS A 46 2.323 -1.604 7.496 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.819 -1.727 8.736 1.00 0.00 N ATOM 0 H HIS A 46 0.456 0.310 6.882 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.202 2.326 8.613 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.571 2.345 7.540 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.004 2.301 9.198 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.322 -0.169 10.205 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.557 -2.445 6.860 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.579 -2.594 9.216 1.00 0.00 H new ATOM 642 N LYS A 47 0.208 4.636 7.681 1.00 0.00 N ATOM 643 CA LYS A 47 0.144 5.979 7.113 1.00 0.00 C ATOM 644 C LYS A 47 1.443 6.338 6.385 1.00 0.00 C ATOM 645 O LYS A 47 2.376 5.542 6.362 1.00 0.00 O ATOM 646 CB LYS A 47 -0.225 6.981 8.222 1.00 0.00 C ATOM 647 CG LYS A 47 0.799 7.129 9.365 1.00 0.00 C ATOM 648 CD LYS A 47 1.979 8.037 8.985 1.00 0.00 C ATOM 649 CE LYS A 47 2.835 8.430 10.193 1.00 0.00 C ATOM 650 NZ LYS A 47 3.756 7.348 10.575 1.00 0.00 N ATOM 0 H LYS A 47 0.081 4.620 8.693 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.637 6.021 6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.375 7.959 7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.180 6.681 8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.300 7.536 10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.177 6.144 9.640 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.604 7.526 8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.599 8.939 8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.405 9.329 9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.188 8.673 11.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.093 7.506 11.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.259 6.436 10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.567 7.337 9.924 1.00 0.00 H new ATOM 664 N ILE A 48 1.528 7.534 5.800 1.00 0.00 N ATOM 665 CA ILE A 48 2.732 8.013 5.129 1.00 0.00 C ATOM 666 C ILE A 48 3.157 9.296 5.853 1.00 0.00 C ATOM 667 O ILE A 48 2.289 10.127 6.118 1.00 0.00 O ATOM 668 CB ILE A 48 2.437 8.263 3.636 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.055 6.936 2.957 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.648 8.884 2.920 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.564 7.122 1.521 1.00 0.00 C ATOM 0 H ILE A 48 0.756 8.200 5.780 1.00 0.00 H new ATOM 0 HA ILE A 48 3.539 7.281 5.168 1.00 0.00 H new ATOM 0 HB ILE A 48 1.608 8.967 3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.919 6.272 2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.276 6.446 3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.406 9.047 1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.897 9.837 3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.501 8.209 2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.310 6.152 1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.682 7.762 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.350 7.585 0.925 1.00 0.00 H new ATOM 683 N PRO A 49 4.445 9.497 6.179 1.00 0.00 N ATOM 684 CA PRO A 49 5.552 8.565 6.022 1.00 0.00 C ATOM 685 C PRO A 49 5.623 7.599 7.213 1.00 0.00 C ATOM 686 O PRO A 49 5.605 8.026 8.367 1.00 0.00 O ATOM 687 CB PRO A 49 6.798 9.452 5.972 1.00 0.00 C ATOM 688 CG PRO A 49 6.434 10.622 6.888 1.00 0.00 C ATOM 689 CD PRO A 49 4.925 10.775 6.684 1.00 0.00 C ATOM 0 HA PRO A 49 5.447 7.946 5.131 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.683 8.923 6.327 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.013 9.787 4.957 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.679 10.409 7.928 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.971 11.530 6.613 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.431 11.032 7.621 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.708 11.577 5.979 1.00 0.00 H new ATOM 697 N PHE A 50 5.726 6.296 6.949 1.00 0.00 N ATOM 698 CA PHE A 50 5.894 5.282 7.976 1.00 0.00 C ATOM 699 C PHE A 50 7.370 4.913 8.055 1.00 0.00 C ATOM 700 O PHE A 50 7.866 4.121 7.253 1.00 0.00 O ATOM 701 CB PHE A 50 5.052 4.045 7.660 1.00 0.00 C ATOM 702 CG PHE A 50 5.070 2.990 8.747 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.459 3.257 9.987 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.612 1.716 8.497 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.359 2.247 10.958 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.466 0.693 9.451 1.00 0.00 C ATOM 707 CZ PHE A 50 4.847 0.958 10.683 1.00 0.00 C ATOM 0 H PHE A 50 5.694 5.916 6.003 1.00 0.00 H new ATOM 0 HA PHE A 50 5.557 5.675 8.935 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.021 4.355 7.486 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.412 3.601 6.732 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.066 4.242 10.192 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.139 1.524 7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.907 2.461 11.915 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.831 -0.300 9.235 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.746 0.173 11.418 1.00 0.00 H new ATOM 717 N SER A 51 8.079 5.483 9.033 1.00 0.00 N ATOM 718 CA SER A 51 9.485 5.191 9.282 1.00 0.00 C ATOM 719 C SER A 51 9.614 3.822 9.966 1.00 0.00 C ATOM 720 O SER A 51 10.176 3.723 11.056 1.00 0.00 O ATOM 721 CB SER A 51 10.096 6.315 10.128 1.00 0.00 C ATOM 722 OG SER A 51 11.466 6.061 10.357 1.00 0.00 O ATOM 0 H SER A 51 7.685 6.167 9.679 1.00 0.00 H new ATOM 0 HA SER A 51 10.034 5.143 8.342 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.976 7.271 9.618 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.569 6.393 11.079 1.00 0.00 H new ATOM 0 HG SER A 51 11.571 5.178 10.768 1.00 0.00 H new ATOM 728 N GLY A 52 9.095 2.778 9.319 1.00 0.00 N ATOM 729 CA GLY A 52 9.098 1.402 9.777 1.00 0.00 C ATOM 730 C GLY A 52 9.179 0.506 8.547 1.00 0.00 C ATOM 731 O GLY A 52 9.754 0.911 7.537 1.00 0.00 O ATOM 0 H GLY A 52 8.638 2.883 8.413 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.945 1.221 10.439 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.195 1.187 10.348 1.00 0.00 H new ATOM 735 N GLN A 53 8.632 -0.710 8.614 1.00 0.00 N ATOM 736 CA GLN A 53 8.641 -1.666 7.513 1.00 0.00 C ATOM 737 C GLN A 53 7.197 -2.030 7.167 1.00 0.00 C ATOM 738 O GLN A 53 6.416 -2.365 8.057 1.00 0.00 O ATOM 739 CB GLN A 53 9.421 -2.924 7.927 1.00 0.00 C ATOM 740 CG GLN A 53 10.877 -2.664 8.346 1.00 0.00 C ATOM 741 CD GLN A 53 11.756 -2.197 7.190 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.413 -3.000 6.536 1.00 0.00 O ATOM 743 NE2 GLN A 53 11.772 -0.899 6.913 1.00 0.00 N ATOM 0 H GLN A 53 8.164 -1.060 9.450 1.00 0.00 H new ATOM 0 HA GLN A 53 9.126 -1.228 6.641 1.00 0.00 H new ATOM 0 HB2 GLN A 53 8.899 -3.404 8.755 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.416 -3.629 7.096 1.00 0.00 H new ATOM 0 HG2 GLN A 53 10.893 -1.912 9.135 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.296 -3.577 8.768 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.217 -0.251 7.472 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.340 -0.549 6.141 1.00 0.00 H new ATOM 752 N ARG A 54 6.824 -1.951 5.889 1.00 0.00 N ATOM 753 CA ARG A 54 5.490 -2.335 5.449 1.00 0.00 C ATOM 754 C ARG A 54 5.369 -3.856 5.523 1.00 0.00 C ATOM 755 O ARG A 54 5.569 -4.553 4.532 1.00 0.00 O ATOM 756 CB ARG A 54 5.212 -1.846 4.020 1.00 0.00 C ATOM 757 CG ARG A 54 4.510 -0.487 3.917 1.00 0.00 C ATOM 758 CD ARG A 54 5.170 0.613 4.755 1.00 0.00 C ATOM 759 NE ARG A 54 4.654 1.956 4.434 1.00 0.00 N ATOM 760 CZ ARG A 54 3.417 2.403 4.706 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.464 1.585 5.154 1.00 0.00 N ATOM 762 NH2 ARG A 54 3.117 3.690 4.561 1.00 0.00 N ATOM 0 H ARG A 54 7.433 -1.622 5.140 1.00 0.00 H new ATOM 0 HA ARG A 54 4.752 -1.869 6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.159 -1.789 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.601 -2.591 3.511 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.493 -0.175 2.873 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.473 -0.599 4.233 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.005 0.407 5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.247 0.593 4.591 1.00 0.00 H new ATOM 0 HE ARG A 54 5.291 2.601 3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.667 0.596 5.297 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.532 1.949 5.353 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.829 4.347 4.241 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.175 4.021 4.770 1.00 0.00 H new ATOM 776 N MET A 55 4.965 -4.380 6.680 1.00 0.00 N ATOM 777 CA MET A 55 4.725 -5.805 6.882 1.00 0.00 C ATOM 778 C MET A 55 3.359 -6.204 6.291 1.00 0.00 C ATOM 779 O MET A 55 2.676 -7.076 6.821 1.00 0.00 O ATOM 780 CB MET A 55 4.825 -6.127 8.381 1.00 0.00 C ATOM 781 CG MET A 55 6.236 -5.868 8.927 1.00 0.00 C ATOM 782 SD MET A 55 6.439 -6.089 10.714 1.00 0.00 S ATOM 783 CE MET A 55 6.100 -7.856 10.876 1.00 0.00 C ATOM 0 H MET A 55 4.793 -3.817 7.513 1.00 0.00 H new ATOM 0 HA MET A 55 5.482 -6.390 6.359 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.105 -5.521 8.932 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.557 -7.170 8.547 1.00 0.00 H new ATOM 0 HG2 MET A 55 6.931 -6.534 8.416 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.524 -4.848 8.670 1.00 0.00 H new ATOM 0 HE1 MET A 55 6.340 -8.181 11.888 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.045 -8.044 10.675 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.710 -8.410 10.163 1.00 0.00 H new ATOM 793 N HIS A 56 2.967 -5.556 5.190 1.00 0.00 N ATOM 794 CA HIS A 56 1.739 -5.752 4.441 1.00 0.00 C ATOM 795 C HIS A 56 2.084 -5.435 2.991 1.00 0.00 C ATOM 796 O HIS A 56 2.726 -4.421 2.724 1.00 0.00 O ATOM 797 CB HIS A 56 0.640 -4.790 4.916 1.00 0.00 C ATOM 798 CG HIS A 56 0.171 -4.994 6.331 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.037 -3.914 7.187 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.153 -6.150 6.990 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.482 -4.459 8.321 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.547 -5.798 8.263 1.00 0.00 N ATOM 0 H HIS A 56 3.549 -4.828 4.775 1.00 0.00 H new ATOM 0 HA HIS A 56 1.365 -6.767 4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.007 -3.768 4.817 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.217 -4.887 4.250 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -0.108 -7.151 6.587 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.760 -3.884 9.192 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.831 -6.430 9.012 1.00 0.00 H new ATOM 810 N HIS A 57 1.653 -6.269 2.045 1.00 0.00 N ATOM 811 CA HIS A 57 1.971 -6.090 0.632 1.00 0.00 C ATOM 812 C HIS A 57 1.092 -5.029 -0.042 1.00 0.00 C ATOM 813 O HIS A 57 0.651 -5.214 -1.174 1.00 0.00 O ATOM 814 CB HIS A 57 1.896 -7.451 -0.070 1.00 0.00 C ATOM 815 CG HIS A 57 2.907 -7.525 -1.172 1.00 0.00 C ATOM 816 ND1 HIS A 57 3.271 -6.392 -1.883 1.00 0.00 N ATOM 817 CD2 HIS A 57 3.707 -8.563 -1.557 1.00 0.00 C ATOM 818 CE1 HIS A 57 4.283 -6.788 -2.642 1.00 0.00 C ATOM 819 NE2 HIS A 57 4.619 -8.070 -2.459 1.00 0.00 N ATOM 0 H HIS A 57 1.074 -7.086 2.238 1.00 0.00 H new ATOM 0 HA HIS A 57 2.987 -5.705 0.546 1.00 0.00 H new ATOM 0 HB2 HIS A 57 2.074 -8.249 0.650 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.896 -7.604 -0.475 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.636 -9.585 -1.215 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.788 -6.138 -3.341 1.00 0.00 H new ATOM 0 HE2 HIS A 57 5.390 -8.575 -2.897 1.00 0.00 H new ATOM 827 N THR A 58 0.769 -3.944 0.668 1.00 0.00 N ATOM 828 CA THR A 58 -0.028 -2.856 0.125 1.00 0.00 C ATOM 829 C THR A 58 0.481 -1.513 0.634 1.00 0.00 C ATOM 830 O THR A 58 1.233 -1.446 1.605 1.00 0.00 O ATOM 831 CB THR A 58 -1.524 -3.050 0.435 1.00 0.00 C ATOM 832 OG1 THR A 58 -1.790 -3.056 1.828 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.046 -4.366 -0.152 1.00 0.00 C ATOM 0 H THR A 58 1.056 -3.801 1.636 1.00 0.00 H new ATOM 0 HA THR A 58 0.078 -2.864 -0.960 1.00 0.00 H new ATOM 0 HB THR A 58 -2.034 -2.202 -0.023 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.025 -2.151 2.120 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.105 -4.475 0.083 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.914 -4.360 -1.234 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.491 -5.201 0.277 1.00 0.00 H new ATOM 841 N CYS A 59 0.029 -0.446 -0.024 1.00 0.00 N ATOM 842 CA CYS A 59 0.232 0.936 0.372 1.00 0.00 C ATOM 843 C CYS A 59 -1.155 1.485 0.671 1.00 0.00 C ATOM 844 O CYS A 59 -2.138 0.934 0.170 1.00 0.00 O ATOM 845 CB CYS A 59 0.911 1.723 -0.754 1.00 0.00 C ATOM 846 SG CYS A 59 2.703 1.560 -0.777 1.00 0.00 S ATOM 0 H CYS A 59 -0.512 -0.531 -0.885 1.00 0.00 H new ATOM 0 HA CYS A 59 0.884 1.019 1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.513 1.386 -1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.653 2.777 -0.654 1.00 0.00 H new ATOM 851 N PRO A 60 -1.274 2.527 1.505 1.00 0.00 N ATOM 852 CA PRO A 60 -2.577 3.067 1.819 1.00 0.00 C ATOM 853 C PRO A 60 -3.162 3.725 0.569 1.00 0.00 C ATOM 854 O PRO A 60 -2.441 4.070 -0.369 1.00 0.00 O ATOM 855 CB PRO A 60 -2.357 4.042 2.974 1.00 0.00 C ATOM 856 CG PRO A 60 -0.906 4.490 2.805 1.00 0.00 C ATOM 857 CD PRO A 60 -0.207 3.342 2.071 1.00 0.00 C ATOM 0 HA PRO A 60 -3.300 2.310 2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.045 4.886 2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.517 3.561 3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.845 5.416 2.233 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.439 4.680 3.771 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.452 3.721 1.290 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.410 2.759 2.754 1.00 0.00 H new ATOM 865 N CYS A 61 -4.486 3.859 0.534 1.00 0.00 N ATOM 866 CA CYS A 61 -5.167 4.471 -0.594 1.00 0.00 C ATOM 867 C CYS A 61 -4.853 5.968 -0.627 1.00 0.00 C ATOM 868 O CYS A 61 -4.460 6.552 0.383 1.00 0.00 O ATOM 869 CB CYS A 61 -6.681 4.273 -0.479 1.00 0.00 C ATOM 870 SG CYS A 61 -7.286 2.628 -0.054 1.00 0.00 S ATOM 0 H CYS A 61 -5.108 3.549 1.281 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.819 3.998 -1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.054 4.971 0.271 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.129 4.559 -1.431 1.00 0.00 H new ATOM 875 N ALA A 62 -5.050 6.603 -1.783 1.00 0.00 N ATOM 876 CA ALA A 62 -4.853 8.029 -1.958 1.00 0.00 C ATOM 877 C ALA A 62 -5.768 8.756 -0.961 1.00 0.00 C ATOM 878 O ALA A 62 -6.961 8.453 -0.959 1.00 0.00 O ATOM 879 CB ALA A 62 -5.188 8.398 -3.403 1.00 0.00 C ATOM 0 H ALA A 62 -5.355 6.128 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.820 8.321 -1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.044 9.469 -3.548 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.533 7.849 -4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.226 8.140 -3.613 1.00 0.00 H new ATOM 885 N PRO A 63 -5.244 9.663 -0.113 1.00 0.00 N ATOM 886 CA PRO A 63 -5.970 10.390 0.931 1.00 0.00 C ATOM 887 C PRO A 63 -7.307 11.009 0.516 1.00 0.00 C ATOM 888 O PRO A 63 -7.414 12.212 0.296 1.00 0.00 O ATOM 889 CB PRO A 63 -4.987 11.429 1.468 1.00 0.00 C ATOM 890 CG PRO A 63 -3.682 10.654 1.365 1.00 0.00 C ATOM 891 CD PRO A 63 -3.823 9.945 0.021 1.00 0.00 C ATOM 0 HA PRO A 63 -6.290 9.680 1.694 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.977 12.339 0.869 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.214 11.724 2.492 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.815 11.315 1.386 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.564 9.947 2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.467 10.574 -0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.235 9.027 -0.004 1.00 0.00 H new ATOM 899 N ASN A 64 -8.320 10.148 0.470 1.00 0.00 N ATOM 900 CA ASN A 64 -9.717 10.385 0.112 1.00 0.00 C ATOM 901 C ASN A 64 -10.406 9.036 -0.116 1.00 0.00 C ATOM 902 O ASN A 64 -11.490 8.795 0.407 1.00 0.00 O ATOM 903 CB ASN A 64 -9.856 11.255 -1.146 1.00 0.00 C ATOM 904 CG ASN A 64 -11.317 11.384 -1.543 1.00 0.00 C ATOM 905 OD1 ASN A 64 -12.047 12.188 -0.971 1.00 0.00 O ATOM 906 ND2 ASN A 64 -11.739 10.582 -2.514 1.00 0.00 N ATOM 0 H ASN A 64 -8.168 9.167 0.706 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.189 10.926 0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.434 12.243 -0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.288 10.814 -1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.712 10.617 -2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.090 9.931 -2.956 1.00 0.00 H new ATOM 913 N LEU A 65 -9.768 8.165 -0.907 1.00 0.00 N ATOM 914 CA LEU A 65 -10.252 6.825 -1.224 1.00 0.00 C ATOM 915 C LEU A 65 -10.526 6.045 0.065 1.00 0.00 C ATOM 916 O LEU A 65 -9.792 6.193 1.043 1.00 0.00 O ATOM 917 CB LEU A 65 -9.175 6.076 -2.022 1.00 0.00 C ATOM 918 CG LEU A 65 -9.069 6.362 -3.526 1.00 0.00 C ATOM 919 CD1 LEU A 65 -10.198 5.674 -4.290 1.00 0.00 C ATOM 920 CD2 LEU A 65 -9.055 7.851 -3.874 1.00 0.00 C ATOM 0 H LEU A 65 -8.877 8.383 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.171 6.910 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.208 6.298 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.348 5.007 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.104 5.956 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.102 5.891 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.140 4.597 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.158 6.042 -3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.978 7.971 -4.955 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.976 8.316 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.201 8.329 -3.394 1.00 0.00 H new ATOM 932 N ALA A 66 -11.543 5.178 0.052 1.00 0.00 N ATOM 933 CA ALA A 66 -11.937 4.391 1.214 1.00 0.00 C ATOM 934 C ALA A 66 -11.516 2.928 1.042 1.00 0.00 C ATOM 935 O ALA A 66 -11.945 2.273 0.095 1.00 0.00 O ATOM 936 CB ALA A 66 -13.453 4.510 1.396 1.00 0.00 C ATOM 0 H ALA A 66 -12.117 5.005 -0.773 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.436 4.771 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.762 3.926 2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.720 5.556 1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.957 4.134 0.506 1.00 0.00 H new ATOM 942 N CYS A 67 -10.689 2.399 1.951 1.00 0.00 N ATOM 943 CA CYS A 67 -10.260 1.001 1.919 1.00 0.00 C ATOM 944 C CYS A 67 -11.385 0.141 2.499 1.00 0.00 C ATOM 945 O CYS A 67 -11.424 -0.088 3.706 1.00 0.00 O ATOM 946 CB CYS A 67 -8.970 0.823 2.724 1.00 0.00 C ATOM 947 SG CYS A 67 -8.254 -0.832 2.598 1.00 0.00 S ATOM 0 H CYS A 67 -10.299 2.931 2.729 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.054 0.694 0.894 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.236 1.553 2.383 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.174 1.042 3.772 1.00 0.00 H new ATOM 952 N VAL A 68 -12.320 -0.310 1.660 1.00 0.00 N ATOM 953 CA VAL A 68 -13.513 -1.022 2.059 1.00 0.00 C ATOM 954 C VAL A 68 -13.454 -2.508 1.705 1.00 0.00 C ATOM 955 O VAL A 68 -12.895 -2.897 0.681 1.00 0.00 O ATOM 956 CB VAL A 68 -14.708 -0.359 1.362 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.007 1.019 1.962 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.570 -0.236 -0.162 1.00 0.00 C ATOM 0 H VAL A 68 -12.255 -0.179 0.650 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.609 -0.969 3.143 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.542 -1.037 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -15.859 1.463 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.239 0.912 3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -14.136 1.664 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.460 0.244 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.692 0.364 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.460 -1.229 -0.599 1.00 0.00 H new ATOM 968 N GLN A 69 -14.050 -3.341 2.560 1.00 0.00 N ATOM 969 CA GLN A 69 -14.185 -4.765 2.329 1.00 0.00 C ATOM 970 C GLN A 69 -15.141 -5.063 1.171 1.00 0.00 C ATOM 971 O GLN A 69 -16.292 -4.628 1.184 1.00 0.00 O ATOM 972 CB GLN A 69 -14.537 -5.528 3.617 1.00 0.00 C ATOM 973 CG GLN A 69 -15.923 -5.298 4.234 1.00 0.00 C ATOM 974 CD GLN A 69 -16.224 -3.829 4.468 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.906 -3.274 5.513 1.00 0.00 O ATOM 976 NE2 GLN A 69 -16.717 -3.157 3.438 1.00 0.00 N ATOM 0 H GLN A 69 -14.456 -3.032 3.443 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.209 -5.140 2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.435 -6.594 3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -13.790 -5.275 4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.683 -5.720 3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -15.988 -5.833 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.972 -3.650 2.582 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.842 -2.147 3.501 1.00 0.00 H new ATOM 985 N THR A 70 -14.672 -5.819 0.180 1.00 0.00 N ATOM 986 CA THR A 70 -15.469 -6.252 -0.964 1.00 0.00 C ATOM 987 C THR A 70 -15.937 -7.686 -0.698 1.00 0.00 C ATOM 988 O THR A 70 -17.041 -8.073 -1.079 1.00 0.00 O ATOM 989 CB THR A 70 -14.669 -6.110 -2.268 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.496 -6.896 -2.259 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.277 -4.648 -2.509 1.00 0.00 C ATOM 0 H THR A 70 -13.709 -6.154 0.150 1.00 0.00 H new ATOM 0 HA THR A 70 -16.348 -5.620 -1.089 1.00 0.00 H new ATOM 0 HB THR A 70 -15.319 -6.460 -3.070 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.994 -6.726 -1.435 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.711 -4.571 -3.438 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.177 -4.037 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.664 -4.294 -1.680 1.00 0.00 H new ATOM 999 N SER A 71 -15.105 -8.481 -0.022 1.00 0.00 N ATOM 1000 CA SER A 71 -15.413 -9.814 0.467 1.00 0.00 C ATOM 1001 C SER A 71 -14.470 -10.027 1.661 1.00 0.00 C ATOM 1002 O SER A 71 -13.573 -9.200 1.846 1.00 0.00 O ATOM 1003 CB SER A 71 -15.248 -10.862 -0.646 1.00 0.00 C ATOM 1004 OG SER A 71 -15.798 -10.408 -1.868 1.00 0.00 O ATOM 0 H SER A 71 -14.154 -8.193 0.207 1.00 0.00 H new ATOM 0 HA SER A 71 -16.451 -9.922 0.782 1.00 0.00 H new ATOM 0 HB2 SER A 71 -14.190 -11.087 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.735 -11.791 -0.349 1.00 0.00 H new ATOM 0 HG SER A 71 -15.677 -11.095 -2.557 1.00 0.00 H new ATOM 1010 N PRO A 72 -14.646 -11.071 2.487 1.00 0.00 N ATOM 1011 CA PRO A 72 -13.795 -11.314 3.645 1.00 0.00 C ATOM 1012 C PRO A 72 -12.313 -11.213 3.272 1.00 0.00 C ATOM 1013 O PRO A 72 -11.882 -11.877 2.334 1.00 0.00 O ATOM 1014 CB PRO A 72 -14.173 -12.711 4.144 1.00 0.00 C ATOM 1015 CG PRO A 72 -15.637 -12.833 3.721 1.00 0.00 C ATOM 1016 CD PRO A 72 -15.658 -12.106 2.376 1.00 0.00 C ATOM 0 HA PRO A 72 -13.945 -10.568 4.426 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.554 -13.485 3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.054 -12.801 5.224 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.945 -13.874 3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.308 -12.368 4.444 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.435 -12.789 1.556 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.640 -11.677 2.176 1.00 0.00 H new ATOM 1024 N LYS A 73 -11.556 -10.343 3.949 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.135 -10.078 3.709 1.00 0.00 C ATOM 1026 C LYS A 73 -9.877 -9.275 2.422 1.00 0.00 C ATOM 1027 O LYS A 73 -8.955 -8.461 2.390 1.00 0.00 O ATOM 1028 CB LYS A 73 -9.284 -11.357 3.772 1.00 0.00 C ATOM 1029 CG LYS A 73 -9.522 -12.138 5.072 1.00 0.00 C ATOM 1030 CD LYS A 73 -8.551 -13.322 5.167 1.00 0.00 C ATOM 1031 CE LYS A 73 -8.844 -14.206 6.387 1.00 0.00 C ATOM 1032 NZ LYS A 73 -8.690 -13.472 7.656 1.00 0.00 N ATOM 0 H LYS A 73 -11.934 -9.781 4.712 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.811 -9.439 4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.519 -11.992 2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.229 -11.095 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.388 -11.479 5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.550 -12.498 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.620 -13.922 4.259 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.528 -12.949 5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.859 -14.596 6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.172 -15.064 6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.814 -14.128 8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.741 -13.050 7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.406 -12.720 7.711 1.00 0.00 H new ATOM 1046 N LYS A 74 -10.671 -9.474 1.365 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.534 -8.731 0.121 1.00 0.00 C ATOM 1048 C LYS A 74 -10.965 -7.280 0.352 1.00 0.00 C ATOM 1049 O LYS A 74 -12.108 -6.914 0.080 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.367 -9.357 -1.012 1.00 0.00 C ATOM 1051 CG LYS A 74 -10.847 -10.698 -1.549 1.00 0.00 C ATOM 1052 CD LYS A 74 -11.049 -11.841 -0.554 1.00 0.00 C ATOM 1053 CE LYS A 74 -10.868 -13.206 -1.223 1.00 0.00 C ATOM 1054 NZ LYS A 74 -11.042 -14.294 -0.245 1.00 0.00 N ATOM 0 H LYS A 74 -11.427 -10.158 1.354 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.489 -8.766 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -12.387 -9.499 -0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.415 -8.648 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.359 -10.936 -2.481 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.786 -10.606 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.339 -11.740 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.047 -11.776 -0.122 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.590 -13.319 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.876 -13.268 -1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.915 -15.211 -0.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.337 -14.196 0.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.997 -14.245 0.163 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.043 -6.444 0.824 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.265 -5.022 1.038 1.00 0.00 C ATOM 1070 C PHE A 75 -9.689 -4.266 -0.159 1.00 0.00 C ATOM 1071 O PHE A 75 -8.590 -4.577 -0.618 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.613 -4.574 2.351 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.492 -4.674 3.584 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.606 -5.893 4.276 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -11.067 -3.511 4.130 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.256 -5.942 5.522 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.722 -3.559 5.372 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.801 -4.772 6.078 1.00 0.00 C ATOM 0 H PHE A 75 -9.101 -6.746 1.073 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.331 -4.809 1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.718 -5.174 2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.288 -3.539 2.241 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.193 -6.795 3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.004 -2.577 3.591 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.336 -6.880 6.052 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.165 -2.664 5.784 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.280 -4.805 7.046 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.444 -3.297 -0.689 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.033 -2.504 -1.839 1.00 0.00 C ATOM 1090 C LYS A 76 -10.344 -1.022 -1.631 1.00 0.00 C ATOM 1091 O LYS A 76 -11.276 -0.650 -0.918 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.677 -3.010 -3.141 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.539 -4.525 -3.352 1.00 0.00 C ATOM 1094 CD LYS A 76 -10.754 -4.857 -4.835 1.00 0.00 C ATOM 1095 CE LYS A 76 -10.734 -6.367 -5.099 1.00 0.00 C ATOM 1096 NZ LYS A 76 -11.979 -7.023 -4.663 1.00 0.00 N ATOM 0 H LYS A 76 -11.363 -3.044 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.953 -2.619 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.735 -2.748 -3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.223 -2.492 -3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.552 -4.859 -3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.268 -5.056 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.708 -4.445 -5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.978 -4.376 -5.430 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.584 -6.546 -6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.888 -6.814 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.859 -8.055 -4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.199 -6.736 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.758 -6.741 -5.291 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.534 -0.185 -2.274 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.617 1.262 -2.279 1.00 0.00 C ATOM 1112 C CYS A 77 -10.744 1.663 -3.217 1.00 0.00 C ATOM 1113 O CYS A 77 -10.544 1.673 -4.429 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.291 1.831 -2.799 1.00 0.00 C ATOM 1115 SG CYS A 77 -6.855 1.528 -1.752 1.00 0.00 S ATOM 0 H CYS A 77 -8.756 -0.526 -2.839 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.807 1.645 -1.276 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.096 1.409 -3.785 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.403 2.907 -2.930 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.927 1.975 -2.691 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.059 2.396 -3.502 1.00 0.00 C ATOM 1122 C LEU A 78 -13.187 3.914 -3.459 1.00 0.00 C ATOM 1123 O LEU A 78 -12.740 4.577 -2.519 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.343 1.712 -3.027 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.558 1.842 -3.964 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.293 1.229 -5.347 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -16.753 1.124 -3.327 1.00 0.00 C ATOM 0 H LEU A 78 -12.124 1.942 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.892 2.096 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.134 0.653 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.613 2.123 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.761 2.904 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.178 1.345 -5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.450 1.737 -5.815 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -15.063 0.169 -5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.620 1.209 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.510 0.071 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.980 1.580 -2.363 1.00 0.00 H new ATOM 1139 N SER A 79 -13.800 4.434 -4.519 1.00 0.00 N ATOM 1140 CA SER A 79 -14.078 5.843 -4.721 1.00 0.00 C ATOM 1141 C SER A 79 -14.953 6.380 -3.589 1.00 0.00 C ATOM 1142 O SER A 79 -15.778 5.652 -3.038 1.00 0.00 O ATOM 1143 CB SER A 79 -14.749 6.020 -6.084 1.00 0.00 C ATOM 1144 OG SER A 79 -13.978 5.356 -7.074 1.00 0.00 O ATOM 0 H SER A 79 -14.129 3.855 -5.291 1.00 0.00 H new ATOM 0 HA SER A 79 -13.150 6.414 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 79 -15.760 5.614 -6.060 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.837 7.079 -6.325 1.00 0.00 H new ATOM 0 HG SER A 79 -14.405 5.465 -7.949 1.00 0.00 H new ATOM 1150 N LYS A 80 -14.769 7.656 -3.264 1.00 0.00 N ATOM 1151 CA LYS A 80 -15.447 8.390 -2.220 1.00 0.00 C ATOM 1152 C LYS A 80 -15.316 9.839 -2.683 1.00 0.00 C ATOM 1153 O LYS A 80 -14.253 10.123 -3.288 1.00 0.00 O ATOM 1154 CB LYS A 80 -14.732 8.076 -0.892 1.00 0.00 C ATOM 1155 CG LYS A 80 -15.137 8.913 0.330 1.00 0.00 C ATOM 1156 CD LYS A 80 -14.618 10.354 0.229 1.00 0.00 C ATOM 1157 CE LYS A 80 -14.237 10.940 1.590 1.00 0.00 C ATOM 1158 NZ LYS A 80 -13.755 12.323 1.433 1.00 0.00 N ATOM 1159 OXT LYS A 80 -16.277 10.611 -2.485 1.00 0.00 O ATOM 0 H LYS A 80 -14.095 8.237 -3.762 1.00 0.00 H new ATOM 0 HA LYS A 80 -16.496 8.146 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.902 7.026 -0.655 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.660 8.198 -1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.223 8.923 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.746 8.448 1.235 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.749 10.378 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.383 10.980 -0.231 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.100 10.921 2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.463 10.328 2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.224 12.604 2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.134 12.382 0.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.566 12.961 1.306 1.00 0.00 H new