USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 858 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 98 GLN : amide:sc= -1.07! C(o=-0.71!,f=-8.4!) USER MOD Set 1.2: A 101 LYS NZ :NH3+ -116:sc= 0.363 (180deg=0) USER MOD Set 2.1: A 54 GLN :FLIP amide:sc= -0.452 F(o=-3.7!,f=-1.2) USER MOD Set 2.2: A 55 ASN :FLIP amide:sc= -0.72 X(o=-1.2,f=-1.2) USER MOD Set 3.1: A 22 LYS NZ :NH3+ 171:sc= -0.0635 (180deg=-0.465) USER MOD Set 3.2: A 30 CYS SG : rot -54:sc= -0.0586 USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= -0.0403 (180deg=-0.253) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0803 F(o=-4.9!,f=-0.08) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.19) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 174:sc= -3.01! (180deg=-3.19!) USER MOD Single : A 24 SER OG : rot 160:sc= -1.35 USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0145) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 82:sc= -1.52 USER MOD Single : A 35 GLN :FLIP amide:sc= -3.55! C(o=-7.4!,f=-3.6!) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.195 F(o=-7.8!,f=-0.2) USER MOD Single : A 43 CYS SG : rot -84:sc= -5.81! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -107:sc= -2.01 (180deg=-4.7!) USER MOD Single : A 65 TYR OH : rot -73:sc= -0.682! USER MOD Single : A 67 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.5) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0551 USER MOD Single : A 73 GLN : amide:sc= -7.11! C(o=-7.1!,f=-7.9!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0.128 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 97 GLN : amide:sc= -2.39! C(o=-2.4!,f=-11!) USER MOD Single : A 103 THR OG1 : rot 86:sc= -0.0547 USER MOD Single : A 106 LYS NZ :NH3+ 135:sc= 0.108 (180deg=-0.173) USER MOD Single : A 107 TYR OH : rot 129:sc= 1.23 USER MOD Single : A 108 LYS NZ :NH3+ -121:sc= 1.11 (180deg=-0.669) USER MOD Single : A 109 SER OG : rot 78:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 13.111 9.182 2.211 1.00 0.00 N ATOM 60 CA ILE A 5 11.796 9.197 2.846 1.00 0.00 C ATOM 61 C ILE A 5 11.068 10.509 2.591 1.00 0.00 C ATOM 62 O ILE A 5 9.860 10.514 2.364 1.00 0.00 O ATOM 63 CB ILE A 5 11.888 8.916 4.363 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.157 7.434 4.606 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.606 9.323 5.065 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.518 7.102 6.037 1.00 0.00 C ATOM 0 HA ILE A 5 11.218 8.393 2.391 1.00 0.00 H new ATOM 0 HB ILE A 5 12.710 9.505 4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.272 6.863 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 5 12.967 7.110 3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.694 9.116 6.132 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.432 10.388 4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.770 8.757 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.694 6.030 6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.421 7.644 6.320 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.700 7.393 6.696 1.00 0.00 H new ATOM 78 N GLU A 6 11.808 11.608 2.565 1.00 0.00 N ATOM 79 CA GLU A 6 11.219 12.905 2.261 1.00 0.00 C ATOM 80 C GLU A 6 10.527 12.863 0.905 1.00 0.00 C ATOM 81 O GLU A 6 9.354 13.219 0.788 1.00 0.00 O ATOM 82 CB GLU A 6 12.294 13.990 2.279 1.00 0.00 C ATOM 83 CG GLU A 6 12.978 14.117 3.625 1.00 0.00 C ATOM 84 CD GLU A 6 11.996 14.444 4.731 1.00 0.00 C ATOM 85 OE1 GLU A 6 11.337 15.505 4.648 1.00 0.00 O ATOM 86 OE2 GLU A 6 11.867 13.638 5.671 1.00 0.00 O ATOM 0 H GLU A 6 12.811 11.629 2.749 1.00 0.00 H new ATOM 0 HA GLU A 6 10.476 13.141 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.041 13.768 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.843 14.946 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.492 13.185 3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.739 14.896 3.573 1.00 0.00 H new ATOM 93 N LYS A 7 11.221 12.313 -0.084 1.00 0.00 N ATOM 94 CA LYS A 7 10.641 12.093 -1.403 1.00 0.00 C ATOM 95 C LYS A 7 9.540 11.037 -1.342 1.00 0.00 C ATOM 96 O LYS A 7 8.492 11.181 -1.971 1.00 0.00 O ATOM 97 CB LYS A 7 11.720 11.656 -2.398 1.00 0.00 C ATOM 98 CG LYS A 7 12.833 12.672 -2.585 1.00 0.00 C ATOM 99 CD LYS A 7 13.866 12.179 -3.587 1.00 0.00 C ATOM 100 CE LYS A 7 14.982 13.189 -3.788 1.00 0.00 C ATOM 101 NZ LYS A 7 15.716 13.469 -2.526 1.00 0.00 N ATOM 0 H LYS A 7 12.191 12.010 0.003 1.00 0.00 H new ATOM 0 HA LYS A 7 10.206 13.034 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.154 10.715 -2.059 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.253 11.462 -3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.412 13.617 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.316 12.867 -1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.288 11.235 -3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.380 11.979 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 7 15.679 12.814 -4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.564 14.117 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.586 13.998 -2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.115 14.034 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.962 12.572 -2.061 1.00 0.00 H new ATOM 115 N ILE A 8 9.810 9.953 -0.619 1.00 0.00 N ATOM 116 CA ILE A 8 8.886 8.838 -0.511 1.00 0.00 C ATOM 117 C ILE A 8 7.538 9.249 0.079 1.00 0.00 C ATOM 118 O ILE A 8 6.499 8.922 -0.485 1.00 0.00 O ATOM 119 CB ILE A 8 9.509 7.694 0.316 1.00 0.00 C ATOM 120 CG1 ILE A 8 10.661 7.054 -0.469 1.00 0.00 C ATOM 121 CG2 ILE A 8 8.458 6.669 0.687 1.00 0.00 C ATOM 122 CD1 ILE A 8 11.398 5.970 0.287 1.00 0.00 C ATOM 0 H ILE A 8 10.675 9.827 -0.094 1.00 0.00 H new ATOM 0 HA ILE A 8 8.697 8.485 -1.525 1.00 0.00 H new ATOM 0 HB ILE A 8 9.910 8.102 1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 8 10.266 6.633 -1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.371 7.832 -0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 8 8.918 5.871 1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.677 7.147 1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.022 6.251 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.197 5.569 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.825 6.388 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.704 5.170 0.545 1.00 0.00 H new ATOM 134 N GLN A 9 7.543 9.984 1.183 1.00 0.00 N ATOM 135 CA GLN A 9 6.293 10.436 1.788 1.00 0.00 C ATOM 136 C GLN A 9 5.514 11.329 0.845 1.00 0.00 C ATOM 137 O GLN A 9 4.303 11.170 0.682 1.00 0.00 O ATOM 138 CB GLN A 9 6.527 11.146 3.122 1.00 0.00 C ATOM 139 CG GLN A 9 6.945 10.221 4.249 1.00 0.00 C ATOM 140 CD GLN A 9 7.083 10.946 5.573 1.00 0.00 C ATOM 141 OE1 GLN A 9 8.244 10.826 6.193 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 6.145 11.590 6.045 1.00 0.00 N flip ATOM 0 H GLN A 9 8.387 10.278 1.675 1.00 0.00 H new ATOM 0 HA GLN A 9 5.700 9.543 1.985 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.295 11.907 2.987 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.613 11.664 3.411 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.210 9.422 4.351 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.895 9.750 3.995 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.265 11.658 5.534 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.248 12.055 6.947 1.00 0.00 H new ATOM 151 N ARG A 10 6.228 12.182 0.141 1.00 0.00 N ATOM 152 CA ARG A 10 5.620 12.996 -0.889 1.00 0.00 C ATOM 153 C ARG A 10 4.985 12.114 -1.954 1.00 0.00 C ATOM 154 O ARG A 10 3.912 12.423 -2.450 1.00 0.00 O ATOM 155 CB ARG A 10 6.664 13.912 -1.531 1.00 0.00 C ATOM 156 CG ARG A 10 7.282 14.935 -0.585 1.00 0.00 C ATOM 157 CD ARG A 10 6.299 16.025 -0.179 1.00 0.00 C ATOM 158 NE ARG A 10 5.178 15.540 0.630 1.00 0.00 N ATOM 159 CZ ARG A 10 4.163 16.315 1.004 1.00 0.00 C ATOM 160 NH1 ARG A 10 4.157 17.600 0.663 1.00 0.00 N ATOM 161 NH2 ARG A 10 3.158 15.815 1.717 1.00 0.00 N ATOM 0 H ARG A 10 7.230 12.329 0.263 1.00 0.00 H new ATOM 0 HA ARG A 10 4.846 13.610 -0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.460 13.296 -1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.200 14.441 -2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.644 14.426 0.308 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.148 15.392 -1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.833 16.793 0.381 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.907 16.501 -1.078 1.00 0.00 H new ATOM 0 HE ARG A 10 5.175 14.562 0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.928 17.987 0.118 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.382 18.199 0.947 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.161 14.830 1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.384 16.417 1.999 1.00 0.00 H new ATOM 175 N GLN A 11 5.670 11.030 -2.307 1.00 0.00 N ATOM 176 CA GLN A 11 5.197 10.120 -3.352 1.00 0.00 C ATOM 177 C GLN A 11 3.998 9.296 -2.899 1.00 0.00 C ATOM 178 O GLN A 11 3.045 9.100 -3.652 1.00 0.00 O ATOM 179 CB GLN A 11 6.319 9.191 -3.808 1.00 0.00 C ATOM 180 CG GLN A 11 5.878 8.226 -4.891 1.00 0.00 C ATOM 181 CD GLN A 11 7.004 7.358 -5.399 1.00 0.00 C ATOM 182 OE1 GLN A 11 7.604 6.589 -4.650 1.00 0.00 O ATOM 183 NE2 GLN A 11 7.305 7.489 -6.678 1.00 0.00 N ATOM 0 H GLN A 11 6.558 10.758 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 11 4.878 10.741 -4.189 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.152 9.789 -4.178 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.687 8.626 -2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.083 7.590 -4.502 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.457 8.790 -5.723 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.779 8.140 -7.262 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.063 6.939 -7.082 1.00 0.00 H new ATOM 192 N ILE A 12 4.064 8.796 -1.680 1.00 0.00 N ATOM 193 CA ILE A 12 2.996 7.968 -1.137 1.00 0.00 C ATOM 194 C ILE A 12 1.701 8.760 -1.112 1.00 0.00 C ATOM 195 O ILE A 12 0.649 8.272 -1.515 1.00 0.00 O ATOM 196 CB ILE A 12 3.318 7.458 0.289 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.602 6.617 0.295 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.155 6.647 0.840 1.00 0.00 C ATOM 199 CD1 ILE A 12 4.912 5.994 1.636 1.00 0.00 C ATOM 0 H ILE A 12 4.846 8.947 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 12 2.895 7.096 -1.784 1.00 0.00 H new ATOM 0 HB ILE A 12 3.475 8.326 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.512 5.827 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.440 7.246 -0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.399 6.296 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.263 7.272 0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.969 5.791 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.833 5.415 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.034 6.779 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.093 5.338 1.931 1.00 0.00 H new ATOM 211 N ALA A 13 1.824 10.012 -0.710 1.00 0.00 N ATOM 212 CA ALA A 13 0.706 10.945 -0.705 1.00 0.00 C ATOM 213 C ALA A 13 0.132 11.148 -2.108 1.00 0.00 C ATOM 214 O ALA A 13 -1.073 11.339 -2.269 1.00 0.00 O ATOM 215 CB ALA A 13 1.142 12.277 -0.119 1.00 0.00 C ATOM 0 H ALA A 13 2.701 10.413 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.082 10.517 -0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.299 12.968 -0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.489 12.129 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.951 12.691 -0.720 1.00 0.00 H new ATOM 221 N GLU A 14 1.009 11.159 -3.116 1.00 0.00 N ATOM 222 CA GLU A 14 0.596 11.396 -4.500 1.00 0.00 C ATOM 223 C GLU A 14 -0.421 10.356 -4.940 1.00 0.00 C ATOM 224 O GLU A 14 -1.460 10.688 -5.516 1.00 0.00 O ATOM 225 CB GLU A 14 1.797 11.338 -5.446 1.00 0.00 C ATOM 226 CG GLU A 14 2.920 12.272 -5.057 1.00 0.00 C ATOM 227 CD GLU A 14 4.072 12.267 -6.036 1.00 0.00 C ATOM 228 OE1 GLU A 14 4.036 11.492 -7.014 1.00 0.00 O ATOM 229 OE2 GLU A 14 5.035 13.035 -5.821 1.00 0.00 O ATOM 0 H GLU A 14 2.011 11.006 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 14 0.149 12.389 -4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.178 10.317 -5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.466 11.582 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.527 13.286 -4.975 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.290 11.992 -4.071 1.00 0.00 H new ATOM 236 N ASN A 15 -0.121 9.102 -4.643 1.00 0.00 N ATOM 237 CA ASN A 15 -1.015 8.012 -4.982 1.00 0.00 C ATOM 238 C ASN A 15 -2.148 7.929 -3.975 1.00 0.00 C ATOM 239 O ASN A 15 -1.917 7.836 -2.771 1.00 0.00 O ATOM 240 CB ASN A 15 -0.247 6.692 -5.037 1.00 0.00 C ATOM 241 CG ASN A 15 0.820 6.698 -6.112 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.520 6.809 -7.302 1.00 0.00 O ATOM 243 ND2 ASN A 15 2.075 6.599 -5.703 1.00 0.00 N ATOM 0 H ASN A 15 0.735 8.816 -4.168 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.441 8.203 -5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.216 6.502 -4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.944 5.875 -5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.835 6.613 -6.383 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.282 6.509 -4.708 1.00 0.00 H new ATOM 250 N PRO A 16 -3.393 7.984 -4.456 1.00 0.00 N ATOM 251 CA PRO A 16 -4.571 7.938 -3.588 1.00 0.00 C ATOM 252 C PRO A 16 -4.662 6.630 -2.835 1.00 0.00 C ATOM 253 O PRO A 16 -4.927 6.597 -1.637 1.00 0.00 O ATOM 254 CB PRO A 16 -5.739 8.031 -4.578 1.00 0.00 C ATOM 255 CG PRO A 16 -5.159 8.634 -5.806 1.00 0.00 C ATOM 256 CD PRO A 16 -3.753 8.127 -5.873 1.00 0.00 C ATOM 0 HA PRO A 16 -4.554 8.725 -2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.161 7.047 -4.783 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.545 8.647 -4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.724 8.342 -6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.182 9.723 -5.757 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.690 7.177 -6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.095 8.826 -6.389 1.00 0.00 H new ATOM 264 N ILE A 17 -4.407 5.553 -3.544 1.00 0.00 N ATOM 265 CA ILE A 17 -4.439 4.235 -2.959 1.00 0.00 C ATOM 266 C ILE A 17 -3.140 3.550 -3.320 1.00 0.00 C ATOM 267 O ILE A 17 -2.751 3.558 -4.489 1.00 0.00 O ATOM 268 CB ILE A 17 -5.621 3.416 -3.524 1.00 0.00 C ATOM 269 CG1 ILE A 17 -6.919 4.240 -3.522 1.00 0.00 C ATOM 270 CG2 ILE A 17 -5.811 2.134 -2.732 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.370 4.728 -2.155 1.00 0.00 C ATOM 0 H ILE A 17 -4.173 5.567 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.563 4.309 -1.879 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.384 3.158 -4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.784 5.104 -4.173 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.716 3.636 -3.956 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.648 1.572 -3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.904 1.532 -2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.017 2.377 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.293 5.298 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.544 3.872 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.597 5.364 -1.722 1.00 0.00 H new ATOM 283 N LEU A 18 -2.375 3.148 -2.323 1.00 0.00 N ATOM 284 CA LEU A 18 -1.030 2.699 -2.594 1.00 0.00 C ATOM 285 C LEU A 18 -0.722 1.400 -1.871 1.00 0.00 C ATOM 286 O LEU A 18 -1.160 1.177 -0.748 1.00 0.00 O ATOM 287 CB LEU A 18 -0.042 3.793 -2.200 1.00 0.00 C ATOM 288 CG LEU A 18 1.382 3.602 -2.705 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.390 3.491 -4.223 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.245 4.771 -2.246 1.00 0.00 C ATOM 0 H LEU A 18 -2.655 3.124 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.936 2.499 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.416 4.747 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.017 3.862 -1.112 1.00 0.00 H new ATOM 0 HG LEU A 18 1.791 2.679 -2.295 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.413 3.355 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.785 2.637 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.977 4.402 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.264 4.635 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.840 5.701 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.249 4.815 -1.157 1.00 0.00 H new ATOM 302 N LEU A 19 -0.013 0.530 -2.555 1.00 0.00 N ATOM 303 CA LEU A 19 0.318 -0.782 -2.042 1.00 0.00 C ATOM 304 C LEU A 19 1.783 -1.094 -2.295 1.00 0.00 C ATOM 305 O LEU A 19 2.194 -1.264 -3.427 1.00 0.00 O ATOM 306 CB LEU A 19 -0.574 -1.811 -2.743 1.00 0.00 C ATOM 307 CG LEU A 19 -0.077 -3.257 -2.733 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.041 -3.805 -1.315 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.001 -4.125 -3.563 1.00 0.00 C ATOM 0 H LEU A 19 0.353 0.714 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 19 0.149 -0.814 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.559 -1.784 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.704 -1.501 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 19 0.921 -3.273 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.397 -4.835 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.746 -3.197 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.935 -3.776 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.641 -5.154 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.007 -4.088 -3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.020 -3.759 -4.589 1.00 0.00 H new ATOM 321 N TYR A 20 2.548 -1.266 -1.238 1.00 0.00 N ATOM 322 CA TYR A 20 3.938 -1.665 -1.384 1.00 0.00 C ATOM 323 C TYR A 20 4.098 -3.161 -1.188 1.00 0.00 C ATOM 324 O TYR A 20 3.945 -3.663 -0.075 1.00 0.00 O ATOM 325 CB TYR A 20 4.822 -0.932 -0.381 1.00 0.00 C ATOM 326 CG TYR A 20 5.173 0.493 -0.754 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.202 1.465 -0.944 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.506 0.859 -0.906 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.553 2.758 -1.277 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.863 2.147 -1.239 1.00 0.00 C ATOM 331 CZ TYR A 20 5.882 3.095 -1.425 1.00 0.00 C ATOM 332 OH TYR A 20 6.227 4.384 -1.759 1.00 0.00 O ATOM 0 H TYR A 20 2.238 -1.138 -0.275 1.00 0.00 H new ATOM 0 HA TYR A 20 4.247 -1.402 -2.396 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.319 -0.924 0.586 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.746 -1.496 -0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.159 1.207 -0.830 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.278 0.118 -0.760 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.787 3.505 -1.422 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.904 2.411 -1.353 1.00 0.00 H new ATOM 0 HH TYR A 20 7.202 4.455 -1.823 1.00 0.00 H new ATOM 342 N MET A 21 4.518 -3.851 -2.241 1.00 0.00 N ATOM 343 CA MET A 21 4.830 -5.265 -2.137 1.00 0.00 C ATOM 344 C MET A 21 5.944 -5.729 -3.092 1.00 0.00 C ATOM 345 O MET A 21 6.890 -4.994 -3.368 1.00 0.00 O ATOM 346 CB MET A 21 3.566 -6.101 -2.276 1.00 0.00 C ATOM 347 CG MET A 21 2.579 -5.629 -3.327 1.00 0.00 C ATOM 348 SD MET A 21 3.232 -5.633 -4.992 1.00 0.00 S ATOM 349 CE MET A 21 1.730 -5.250 -5.887 1.00 0.00 C ATOM 0 H MET A 21 4.649 -3.454 -3.171 1.00 0.00 H new ATOM 0 HA MET A 21 5.240 -5.422 -1.139 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.854 -7.126 -2.508 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.059 -6.123 -1.311 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.695 -6.266 -3.293 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.254 -4.619 -3.078 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.962 -5.105 -6.942 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.023 -6.073 -5.781 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.289 -4.339 -5.484 1.00 0.00 H new ATOM 359 N LYS A 22 5.926 -7.013 -3.440 1.00 0.00 N ATOM 360 CA LYS A 22 7.037 -7.616 -4.166 1.00 0.00 C ATOM 361 C LYS A 22 6.710 -7.660 -5.651 1.00 0.00 C ATOM 362 O LYS A 22 5.972 -8.520 -6.103 1.00 0.00 O ATOM 363 CB LYS A 22 7.285 -9.029 -3.609 1.00 0.00 C ATOM 364 CG LYS A 22 8.670 -9.618 -3.882 1.00 0.00 C ATOM 365 CD LYS A 22 8.936 -9.893 -5.349 1.00 0.00 C ATOM 366 CE LYS A 22 10.317 -10.499 -5.545 1.00 0.00 C ATOM 367 NZ LYS A 22 10.498 -11.757 -4.765 1.00 0.00 N ATOM 0 H LYS A 22 5.158 -7.652 -3.232 1.00 0.00 H new ATOM 0 HA LYS A 22 7.943 -7.024 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.126 -9.007 -2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.536 -9.701 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.428 -8.930 -3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.777 -10.547 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.178 -10.572 -5.739 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.857 -8.966 -5.917 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.474 -10.705 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.075 -9.776 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.390 -12.214 -5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.526 -11.535 -3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.704 -12.401 -4.956 1.00 0.00 H new ATOM 381 N GLY A 23 7.199 -6.681 -6.381 1.00 0.00 N ATOM 382 CA GLY A 23 6.859 -6.558 -7.788 1.00 0.00 C ATOM 383 C GLY A 23 7.864 -7.241 -8.688 1.00 0.00 C ATOM 384 O GLY A 23 8.630 -6.584 -9.393 1.00 0.00 O ATOM 0 H GLY A 23 7.830 -5.961 -6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.872 -6.988 -7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.797 -5.502 -8.053 1.00 0.00 H new ATOM 388 N SER A 24 7.846 -8.565 -8.670 1.00 0.00 N ATOM 389 CA SER A 24 8.737 -9.358 -9.503 1.00 0.00 C ATOM 390 C SER A 24 8.207 -9.405 -10.937 1.00 0.00 C ATOM 391 O SER A 24 6.999 -9.432 -11.147 1.00 0.00 O ATOM 392 CB SER A 24 8.858 -10.774 -8.926 1.00 0.00 C ATOM 393 OG SER A 24 9.749 -11.573 -9.680 1.00 0.00 O ATOM 0 H SER A 24 7.219 -9.116 -8.083 1.00 0.00 H new ATOM 0 HA SER A 24 9.725 -8.899 -9.516 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.204 -10.718 -7.894 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.875 -11.244 -8.907 1.00 0.00 H new ATOM 0 HG SER A 24 10.052 -12.329 -9.135 1.00 0.00 H new ATOM 399 N PRO A 25 9.090 -9.421 -11.947 1.00 0.00 N ATOM 400 CA PRO A 25 8.667 -9.487 -13.350 1.00 0.00 C ATOM 401 C PRO A 25 7.753 -10.689 -13.604 1.00 0.00 C ATOM 402 O PRO A 25 6.748 -10.587 -14.316 1.00 0.00 O ATOM 403 CB PRO A 25 9.985 -9.636 -14.116 1.00 0.00 C ATOM 404 CG PRO A 25 11.022 -9.072 -13.206 1.00 0.00 C ATOM 405 CD PRO A 25 10.559 -9.388 -11.813 1.00 0.00 C ATOM 0 HA PRO A 25 8.091 -8.613 -13.653 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.190 -10.681 -14.350 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.955 -9.097 -15.063 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.998 -9.515 -13.404 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.125 -7.996 -13.349 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.953 -10.342 -11.464 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.882 -8.630 -11.099 1.00 0.00 H new ATOM 413 N LYS A 26 8.093 -11.814 -12.983 1.00 0.00 N ATOM 414 CA LYS A 26 7.305 -13.037 -13.092 1.00 0.00 C ATOM 415 C LYS A 26 5.963 -12.911 -12.361 1.00 0.00 C ATOM 416 O LYS A 26 4.968 -13.509 -12.770 1.00 0.00 O ATOM 417 CB LYS A 26 8.109 -14.241 -12.579 1.00 0.00 C ATOM 418 CG LYS A 26 8.504 -14.167 -11.112 1.00 0.00 C ATOM 419 CD LYS A 26 9.468 -15.286 -10.740 1.00 0.00 C ATOM 420 CE LYS A 26 8.881 -16.669 -10.993 1.00 0.00 C ATOM 421 NZ LYS A 26 7.706 -16.954 -10.131 1.00 0.00 N ATOM 0 H LYS A 26 8.919 -11.904 -12.392 1.00 0.00 H new ATOM 0 HA LYS A 26 7.081 -13.200 -14.146 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.522 -15.146 -12.737 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.013 -14.338 -13.180 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.967 -13.202 -10.906 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.612 -14.231 -10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.388 -15.175 -11.314 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.736 -15.195 -9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.588 -16.750 -12.040 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.648 -17.423 -10.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.375 -17.924 -10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.976 -16.854 -9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.943 -16.283 -10.352 1.00 0.00 H new ATOM 435 N LEU A 27 5.934 -12.118 -11.291 1.00 0.00 N ATOM 436 CA LEU A 27 4.710 -11.903 -10.519 1.00 0.00 C ATOM 437 C LEU A 27 4.808 -10.600 -9.741 1.00 0.00 C ATOM 438 O LEU A 27 5.694 -10.447 -8.895 1.00 0.00 O ATOM 439 CB LEU A 27 4.514 -13.041 -9.521 1.00 0.00 C ATOM 440 CG LEU A 27 3.219 -12.983 -8.701 1.00 0.00 C ATOM 441 CD1 LEU A 27 2.004 -13.071 -9.612 1.00 0.00 C ATOM 442 CD2 LEU A 27 3.190 -14.095 -7.665 1.00 0.00 C ATOM 0 H LEU A 27 6.746 -11.612 -10.938 1.00 0.00 H new ATOM 0 HA LEU A 27 3.870 -11.864 -11.212 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.538 -13.986 -10.064 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.359 -13.048 -8.833 1.00 0.00 H new ATOM 0 HG LEU A 27 3.188 -12.027 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.095 -13.028 -9.012 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.015 -12.237 -10.314 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.030 -14.011 -10.164 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.263 -14.036 -7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.247 -15.061 -8.167 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.039 -13.986 -6.991 1.00 0.00 H new ATOM 454 N PRO A 28 3.913 -9.638 -10.017 1.00 0.00 N ATOM 455 CA PRO A 28 3.928 -8.334 -9.350 1.00 0.00 C ATOM 456 C PRO A 28 3.505 -8.391 -7.885 1.00 0.00 C ATOM 457 O PRO A 28 3.193 -7.370 -7.301 1.00 0.00 O ATOM 458 CB PRO A 28 2.910 -7.515 -10.144 1.00 0.00 C ATOM 459 CG PRO A 28 2.019 -8.506 -10.796 1.00 0.00 C ATOM 460 CD PRO A 28 2.841 -9.734 -11.020 1.00 0.00 C ATOM 0 HA PRO A 28 4.936 -7.920 -9.335 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.345 -6.852 -9.489 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.405 -6.887 -10.884 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.157 -8.726 -10.166 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.634 -8.120 -11.740 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.249 -10.639 -10.885 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.244 -9.764 -12.032 1.00 0.00 H new ATOM 468 N SER A 29 3.619 -9.557 -7.272 1.00 0.00 N ATOM 469 CA SER A 29 3.382 -9.707 -5.849 1.00 0.00 C ATOM 470 C SER A 29 3.930 -11.033 -5.345 1.00 0.00 C ATOM 471 O SER A 29 3.254 -11.776 -4.635 1.00 0.00 O ATOM 472 CB SER A 29 1.909 -9.541 -5.521 1.00 0.00 C ATOM 473 OG SER A 29 1.087 -10.284 -6.404 1.00 0.00 O ATOM 0 H SER A 29 3.878 -10.422 -7.746 1.00 0.00 H new ATOM 0 HA SER A 29 3.919 -8.914 -5.328 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.726 -9.864 -4.496 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.641 -8.486 -5.576 1.00 0.00 H new ATOM 0 HG SER A 29 0.146 -10.155 -6.162 1.00 0.00 H new ATOM 479 N CYS A 30 5.167 -11.310 -5.727 1.00 0.00 N ATOM 480 CA CYS A 30 5.874 -12.534 -5.340 1.00 0.00 C ATOM 481 C CYS A 30 6.238 -12.524 -3.850 1.00 0.00 C ATOM 482 O CYS A 30 7.409 -12.596 -3.472 1.00 0.00 O ATOM 483 CB CYS A 30 7.129 -12.680 -6.185 1.00 0.00 C ATOM 484 SG CYS A 30 8.054 -14.209 -5.915 1.00 0.00 S ATOM 0 H CYS A 30 5.719 -10.690 -6.320 1.00 0.00 H new ATOM 0 HA CYS A 30 5.213 -13.383 -5.512 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.850 -12.622 -7.237 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.786 -11.834 -5.983 1.00 0.00 H new ATOM 0 HG CYS A 30 8.330 -14.331 -4.651 1.00 0.00 H new ATOM 490 N GLY A 31 5.224 -12.407 -3.023 1.00 0.00 N ATOM 491 CA GLY A 31 5.401 -12.365 -1.584 1.00 0.00 C ATOM 492 C GLY A 31 4.090 -12.613 -0.869 1.00 0.00 C ATOM 493 O GLY A 31 3.289 -13.430 -1.320 1.00 0.00 O ATOM 0 H GLY A 31 4.252 -12.338 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.132 -13.115 -1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.801 -11.394 -1.291 1.00 0.00 H new ATOM 497 N PHE A 32 3.826 -11.879 0.204 1.00 0.00 N ATOM 498 CA PHE A 32 2.559 -12.030 0.897 1.00 0.00 C ATOM 499 C PHE A 32 1.444 -11.323 0.173 1.00 0.00 C ATOM 500 O PHE A 32 0.361 -11.852 0.053 1.00 0.00 O ATOM 501 CB PHE A 32 2.609 -11.529 2.334 1.00 0.00 C ATOM 502 CG PHE A 32 3.317 -12.441 3.280 1.00 0.00 C ATOM 503 CD1 PHE A 32 4.698 -12.541 3.287 1.00 0.00 C ATOM 504 CD2 PHE A 32 2.582 -13.181 4.190 1.00 0.00 C ATOM 505 CE1 PHE A 32 5.336 -13.378 4.183 1.00 0.00 C ATOM 506 CE2 PHE A 32 3.212 -14.017 5.089 1.00 0.00 C ATOM 507 CZ PHE A 32 4.591 -14.117 5.086 1.00 0.00 C ATOM 0 H PHE A 32 4.459 -11.187 0.605 1.00 0.00 H new ATOM 0 HA PHE A 32 2.363 -13.102 0.914 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.100 -10.556 2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.590 -11.377 2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.281 -11.961 2.587 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.505 -13.103 4.196 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.413 -13.455 4.179 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.629 -14.592 5.793 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.087 -14.771 5.788 1.00 0.00 H new ATOM 517 N SER A 33 1.684 -10.098 -0.253 1.00 0.00 N ATOM 518 CA SER A 33 0.643 -9.291 -0.883 1.00 0.00 C ATOM 519 C SER A 33 -0.050 -10.018 -2.037 1.00 0.00 C ATOM 520 O SER A 33 -1.145 -9.626 -2.434 1.00 0.00 O ATOM 521 CB SER A 33 1.206 -7.970 -1.354 1.00 0.00 C ATOM 522 OG SER A 33 0.197 -7.150 -1.912 1.00 0.00 O ATOM 0 H SER A 33 2.589 -9.635 -0.177 1.00 0.00 H new ATOM 0 HA SER A 33 -0.115 -9.107 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.676 -7.453 -0.517 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.984 -8.148 -2.096 1.00 0.00 H new ATOM 0 HG SER A 33 -0.286 -6.691 -1.193 1.00 0.00 H new ATOM 528 N ALA A 34 0.506 -11.157 -2.444 1.00 0.00 N ATOM 529 CA ALA A 34 -0.154 -12.040 -3.389 1.00 0.00 C ATOM 530 C ALA A 34 -1.596 -12.307 -2.952 1.00 0.00 C ATOM 531 O ALA A 34 -2.493 -12.182 -3.759 1.00 0.00 O ATOM 532 CB ALA A 34 0.612 -13.345 -3.521 1.00 0.00 C ATOM 0 H ALA A 34 1.418 -11.487 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.173 -11.552 -4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.103 -13.995 -4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.622 -13.140 -3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.661 -13.838 -2.550 1.00 0.00 H new ATOM 538 N GLN A 35 -1.819 -12.528 -1.645 1.00 0.00 N ATOM 539 CA GLN A 35 -3.176 -12.629 -1.090 1.00 0.00 C ATOM 540 C GLN A 35 -3.824 -11.263 -0.825 1.00 0.00 C ATOM 541 O GLN A 35 -5.048 -11.147 -0.812 1.00 0.00 O ATOM 542 CB GLN A 35 -3.266 -13.529 0.175 1.00 0.00 C ATOM 543 CG GLN A 35 -1.978 -13.853 0.932 1.00 0.00 C ATOM 544 CD GLN A 35 -1.406 -12.728 1.788 1.00 0.00 C ATOM 545 OE1 GLN A 35 -1.943 -11.528 1.683 1.00 0.00 O flip ATOM 546 NE2 GLN A 35 -0.449 -12.940 2.532 1.00 0.00 N flip ATOM 0 H GLN A 35 -1.076 -12.640 -0.955 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.749 -13.120 -1.876 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.950 -13.050 0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.723 -14.473 -0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.164 -14.713 1.575 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.220 -14.154 0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.051 -13.877 2.596 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.054 -12.179 3.084 1.00 0.00 H new ATOM 555 N ALA A 36 -3.016 -10.268 -0.511 1.00 0.00 N ATOM 556 CA ALA A 36 -3.520 -8.954 -0.115 1.00 0.00 C ATOM 557 C ALA A 36 -4.217 -8.233 -1.268 1.00 0.00 C ATOM 558 O ALA A 36 -5.226 -7.558 -1.065 1.00 0.00 O ATOM 559 CB ALA A 36 -2.392 -8.101 0.452 1.00 0.00 C ATOM 0 H ALA A 36 -1.999 -10.340 -0.521 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.268 -9.112 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.784 -7.126 0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.966 -8.595 1.325 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.619 -7.971 -0.305 1.00 0.00 H new ATOM 565 N VAL A 37 -3.620 -8.302 -2.452 1.00 0.00 N ATOM 566 CA VAL A 37 -4.112 -7.578 -3.612 1.00 0.00 C ATOM 567 C VAL A 37 -5.587 -7.885 -3.907 1.00 0.00 C ATOM 568 O VAL A 37 -6.361 -6.975 -4.204 1.00 0.00 O ATOM 569 CB VAL A 37 -3.236 -7.867 -4.849 1.00 0.00 C ATOM 570 CG1 VAL A 37 -1.795 -7.481 -4.579 1.00 0.00 C ATOM 571 CG2 VAL A 37 -3.314 -9.321 -5.286 1.00 0.00 C ATOM 0 H VAL A 37 -2.785 -8.860 -2.632 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.047 -6.516 -3.377 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.627 -7.260 -5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.191 -7.691 -5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.741 -6.417 -4.347 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.416 -8.057 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.680 -9.473 -6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.973 -9.964 -4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.345 -9.570 -5.538 1.00 0.00 H new ATOM 581 N GLN A 38 -5.974 -9.155 -3.792 1.00 0.00 N ATOM 582 CA GLN A 38 -7.358 -9.576 -4.007 1.00 0.00 C ATOM 583 C GLN A 38 -8.285 -8.820 -3.084 1.00 0.00 C ATOM 584 O GLN A 38 -9.300 -8.307 -3.514 1.00 0.00 O ATOM 585 CB GLN A 38 -7.581 -11.085 -3.765 1.00 0.00 C ATOM 586 CG GLN A 38 -6.861 -12.023 -4.731 1.00 0.00 C ATOM 587 CD GLN A 38 -5.371 -12.055 -4.585 1.00 0.00 C ATOM 588 OE1 GLN A 38 -4.879 -11.435 -3.547 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -4.672 -12.668 -5.387 1.00 0.00 N flip ATOM 0 H GLN A 38 -5.341 -9.917 -3.549 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.574 -9.360 -5.053 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.262 -11.323 -2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.650 -11.289 -3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.247 -13.033 -4.590 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.105 -11.728 -5.751 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.102 -13.137 -6.184 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.661 -12.708 -5.256 1.00 0.00 H new ATOM 598 N ALA A 39 -7.922 -8.765 -1.810 1.00 0.00 N ATOM 599 CA ALA A 39 -8.730 -8.081 -0.811 1.00 0.00 C ATOM 600 C ALA A 39 -8.926 -6.622 -1.181 1.00 0.00 C ATOM 601 O ALA A 39 -10.023 -6.087 -1.067 1.00 0.00 O ATOM 602 CB ALA A 39 -8.080 -8.188 0.557 1.00 0.00 C ATOM 0 H ALA A 39 -7.069 -9.188 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.707 -8.563 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.696 -7.672 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.986 -9.238 0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.091 -7.731 0.527 1.00 0.00 H new ATOM 608 N LEU A 40 -7.843 -5.979 -1.584 1.00 0.00 N ATOM 609 CA LEU A 40 -7.869 -4.563 -1.923 1.00 0.00 C ATOM 610 C LEU A 40 -8.756 -4.332 -3.137 1.00 0.00 C ATOM 611 O LEU A 40 -9.694 -3.538 -3.096 1.00 0.00 O ATOM 612 CB LEU A 40 -6.465 -4.108 -2.269 1.00 0.00 C ATOM 613 CG LEU A 40 -6.122 -2.650 -1.926 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.730 -2.303 -2.423 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.143 -1.673 -2.490 1.00 0.00 C ATOM 0 H LEU A 40 -6.928 -6.418 -1.685 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.257 -4.004 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.757 -4.757 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.311 -4.254 -3.338 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.149 -2.558 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.502 -1.267 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.000 -2.960 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.687 -2.433 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.859 -0.655 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.176 -1.767 -3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.127 -1.896 -2.077 1.00 0.00 H new ATOM 627 N ALA A 41 -8.442 -5.047 -4.209 1.00 0.00 N ATOM 628 CA ALA A 41 -9.189 -4.948 -5.449 1.00 0.00 C ATOM 629 C ALA A 41 -10.635 -5.329 -5.213 1.00 0.00 C ATOM 630 O ALA A 41 -11.547 -4.781 -5.832 1.00 0.00 O ATOM 631 CB ALA A 41 -8.569 -5.836 -6.518 1.00 0.00 C ATOM 0 H ALA A 41 -7.666 -5.708 -4.241 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.151 -3.917 -5.801 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.142 -5.749 -7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.541 -5.524 -6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.579 -6.873 -6.181 1.00 0.00 H new ATOM 637 N ALA A 42 -10.834 -6.291 -4.326 1.00 0.00 N ATOM 638 CA ALA A 42 -12.187 -6.759 -4.027 1.00 0.00 C ATOM 639 C ALA A 42 -12.993 -5.706 -3.276 1.00 0.00 C ATOM 640 O ALA A 42 -14.188 -5.533 -3.526 1.00 0.00 O ATOM 641 CB ALA A 42 -12.165 -8.056 -3.233 1.00 0.00 C ATOM 0 H ALA A 42 -10.092 -6.759 -3.806 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.672 -6.946 -4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.187 -8.375 -3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.653 -8.827 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.639 -7.897 -2.292 1.00 0.00 H new ATOM 647 N CYS A 43 -12.376 -5.101 -2.268 1.00 0.00 N ATOM 648 CA CYS A 43 -13.088 -4.182 -1.394 1.00 0.00 C ATOM 649 C CYS A 43 -13.314 -2.811 -2.045 1.00 0.00 C ATOM 650 O CYS A 43 -14.448 -2.334 -2.112 1.00 0.00 O ATOM 651 CB CYS A 43 -12.337 -4.039 -0.067 1.00 0.00 C ATOM 652 SG CYS A 43 -10.652 -3.410 -0.216 1.00 0.00 S ATOM 0 H CYS A 43 -11.391 -5.230 -2.038 1.00 0.00 H new ATOM 0 HA CYS A 43 -14.076 -4.603 -1.206 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -12.902 -3.373 0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -12.305 -5.012 0.423 1.00 0.00 H new ATOM 0 HG CYS A 43 -9.843 -4.393 -0.480 1.00 0.00 H new ATOM 658 N GLY A 44 -12.238 -2.162 -2.481 1.00 0.00 N ATOM 659 CA GLY A 44 -12.363 -0.838 -3.067 1.00 0.00 C ATOM 660 C GLY A 44 -12.333 -0.854 -4.580 1.00 0.00 C ATOM 661 O GLY A 44 -12.807 -1.804 -5.206 1.00 0.00 O ATOM 0 H GLY A 44 -11.286 -2.526 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.297 -0.386 -2.733 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.554 -0.207 -2.700 1.00 0.00 H new ATOM 665 N GLU A 45 -11.739 0.178 -5.167 1.00 0.00 N ATOM 666 CA GLU A 45 -11.596 0.258 -6.612 1.00 0.00 C ATOM 667 C GLU A 45 -10.180 -0.154 -7.027 1.00 0.00 C ATOM 668 O GLU A 45 -9.474 -0.828 -6.274 1.00 0.00 O ATOM 669 CB GLU A 45 -11.918 1.664 -7.145 1.00 0.00 C ATOM 670 CG GLU A 45 -10.906 2.735 -6.764 1.00 0.00 C ATOM 671 CD GLU A 45 -11.138 4.031 -7.510 1.00 0.00 C ATOM 672 OE1 GLU A 45 -11.267 3.980 -8.748 1.00 0.00 O ATOM 673 OE2 GLU A 45 -11.111 5.105 -6.892 1.00 0.00 O ATOM 0 H GLU A 45 -11.348 0.973 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.316 -0.432 -7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.987 1.619 -8.232 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.899 1.962 -6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.962 2.920 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.900 2.372 -6.973 1.00 0.00 H new ATOM 680 N ARG A 46 -9.731 0.361 -8.168 1.00 0.00 N ATOM 681 CA ARG A 46 -8.352 0.168 -8.611 1.00 0.00 C ATOM 682 C ARG A 46 -7.367 0.945 -7.740 1.00 0.00 C ATOM 683 O ARG A 46 -7.758 1.829 -6.975 1.00 0.00 O ATOM 684 CB ARG A 46 -8.175 0.475 -10.103 1.00 0.00 C ATOM 685 CG ARG A 46 -8.896 1.712 -10.580 1.00 0.00 C ATOM 686 CD ARG A 46 -8.424 2.969 -9.880 1.00 0.00 C ATOM 687 NE ARG A 46 -9.221 4.134 -10.263 1.00 0.00 N ATOM 688 CZ ARG A 46 -9.203 4.714 -11.465 1.00 0.00 C ATOM 689 NH1 ARG A 46 -8.308 4.354 -12.377 1.00 0.00 N ATOM 690 NH2 ARG A 46 -10.071 5.678 -11.749 1.00 0.00 N ATOM 0 H ARG A 46 -10.303 0.916 -8.804 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.121 -0.890 -8.486 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.111 0.586 -10.314 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.527 -0.380 -10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.749 1.822 -11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.967 1.590 -10.416 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.482 2.828 -8.801 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.377 3.149 -10.123 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.839 4.534 -9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.625 3.627 -12.162 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.303 4.804 -13.292 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.751 5.975 -11.049 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.058 6.122 -12.667 1.00 0.00 H new ATOM 704 N PHE A 47 -6.133 0.475 -7.708 1.00 0.00 N ATOM 705 CA PHE A 47 -5.160 0.975 -6.749 1.00 0.00 C ATOM 706 C PHE A 47 -3.761 1.005 -7.361 1.00 0.00 C ATOM 707 O PHE A 47 -3.462 0.248 -8.288 1.00 0.00 O ATOM 708 CB PHE A 47 -5.177 0.082 -5.503 1.00 0.00 C ATOM 709 CG PHE A 47 -4.714 -1.338 -5.734 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.362 -1.633 -5.890 1.00 0.00 C ATOM 711 CD2 PHE A 47 -5.626 -2.381 -5.752 1.00 0.00 C ATOM 712 CE1 PHE A 47 -2.940 -2.935 -6.070 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.206 -3.687 -5.925 1.00 0.00 C ATOM 714 CZ PHE A 47 -3.862 -3.963 -6.086 1.00 0.00 C ATOM 0 H PHE A 47 -5.780 -0.250 -8.332 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.426 1.995 -6.471 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.545 0.536 -4.740 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.191 0.058 -5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.635 -0.834 -5.870 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.678 -2.171 -5.629 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -1.889 -3.150 -6.198 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.928 -4.490 -5.934 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.533 -4.982 -6.224 1.00 0.00 H new ATOM 724 N ALA A 48 -2.893 1.821 -6.789 1.00 0.00 N ATOM 725 CA ALA A 48 -1.503 1.877 -7.211 1.00 0.00 C ATOM 726 C ALA A 48 -0.646 1.029 -6.289 1.00 0.00 C ATOM 727 O ALA A 48 -1.018 0.784 -5.145 1.00 0.00 O ATOM 728 CB ALA A 48 -0.997 3.307 -7.251 1.00 0.00 C ATOM 0 H ALA A 48 -3.127 2.457 -6.027 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.436 1.476 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.045 3.315 -7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.596 3.886 -7.954 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.076 3.749 -6.258 1.00 0.00 H new ATOM 734 N TYR A 49 0.454 0.513 -6.806 1.00 0.00 N ATOM 735 CA TYR A 49 1.292 -0.382 -6.037 1.00 0.00 C ATOM 736 C TYR A 49 2.752 -0.034 -6.295 1.00 0.00 C ATOM 737 O TYR A 49 3.090 0.492 -7.355 1.00 0.00 O ATOM 738 CB TYR A 49 1.007 -1.847 -6.421 1.00 0.00 C ATOM 739 CG TYR A 49 1.787 -2.371 -7.609 1.00 0.00 C ATOM 740 CD1 TYR A 49 3.120 -2.728 -7.457 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.208 -2.515 -8.858 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.858 -3.213 -8.511 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.941 -3.003 -9.928 1.00 0.00 C ATOM 744 CZ TYR A 49 3.268 -3.354 -9.749 1.00 0.00 C ATOM 745 OH TYR A 49 4.001 -3.844 -10.809 1.00 0.00 O ATOM 0 H TYR A 49 0.785 0.699 -7.753 1.00 0.00 H new ATOM 0 HA TYR A 49 1.074 -0.266 -4.975 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.222 -2.479 -5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.057 -1.949 -6.633 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.588 -2.622 -6.489 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.172 -2.244 -9.000 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.894 -3.482 -8.370 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.479 -3.109 -10.898 1.00 0.00 H new ATOM 0 HH TYR A 49 3.435 -3.881 -11.608 1.00 0.00 H new ATOM 755 N VAL A 50 3.608 -0.352 -5.343 1.00 0.00 N ATOM 756 CA VAL A 50 5.028 -0.111 -5.481 1.00 0.00 C ATOM 757 C VAL A 50 5.797 -1.362 -5.105 1.00 0.00 C ATOM 758 O VAL A 50 5.625 -1.900 -4.009 1.00 0.00 O ATOM 759 CB VAL A 50 5.502 1.042 -4.571 1.00 0.00 C ATOM 760 CG1 VAL A 50 6.981 1.322 -4.782 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.682 2.297 -4.813 1.00 0.00 C ATOM 0 H VAL A 50 3.339 -0.782 -4.458 1.00 0.00 H new ATOM 0 HA VAL A 50 5.214 0.162 -6.520 1.00 0.00 H new ATOM 0 HB VAL A 50 5.355 0.735 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.293 2.138 -4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.558 0.428 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.154 1.601 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.036 3.094 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.788 2.606 -5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.633 2.093 -4.600 1.00 0.00 H new ATOM 771 N ASP A 51 6.701 -1.772 -5.973 1.00 0.00 N ATOM 772 CA ASP A 51 7.562 -2.895 -5.676 1.00 0.00 C ATOM 773 C ASP A 51 8.701 -2.467 -4.754 1.00 0.00 C ATOM 774 O ASP A 51 9.271 -1.389 -4.899 1.00 0.00 O ATOM 775 CB ASP A 51 8.073 -3.567 -6.961 1.00 0.00 C ATOM 776 CG ASP A 51 8.772 -2.633 -7.932 1.00 0.00 C ATOM 777 OD1 ASP A 51 9.842 -2.102 -7.602 1.00 0.00 O ATOM 778 OD2 ASP A 51 8.250 -2.444 -9.052 1.00 0.00 O ATOM 0 H ASP A 51 6.857 -1.345 -6.886 1.00 0.00 H new ATOM 0 HA ASP A 51 6.977 -3.646 -5.146 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.762 -4.366 -6.687 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.230 -4.034 -7.470 1.00 0.00 H new ATOM 783 N ILE A 52 8.930 -3.264 -3.723 1.00 0.00 N ATOM 784 CA ILE A 52 9.889 -2.929 -2.676 1.00 0.00 C ATOM 785 C ILE A 52 10.560 -4.167 -2.103 1.00 0.00 C ATOM 786 O ILE A 52 11.770 -4.171 -1.939 1.00 0.00 O ATOM 787 CB ILE A 52 9.278 -2.064 -1.550 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.795 -2.347 -1.381 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.521 -0.594 -1.796 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.499 -3.686 -0.778 1.00 0.00 C ATOM 0 H ILE A 52 8.460 -4.159 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 52 10.654 -2.323 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 52 9.778 -2.335 -0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.356 -1.571 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.309 -2.282 -2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 52 9.079 -0.012 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.594 -0.404 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.066 -0.303 -2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.420 -3.815 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.907 -4.470 -1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.954 -3.749 0.210 1.00 0.00 H new ATOM 802 N LEU A 53 9.832 -5.284 -1.995 1.00 0.00 N ATOM 803 CA LEU A 53 10.497 -6.551 -1.673 1.00 0.00 C ATOM 804 C LEU A 53 11.413 -6.951 -2.833 1.00 0.00 C ATOM 805 O LEU A 53 12.220 -7.870 -2.720 1.00 0.00 O ATOM 806 CB LEU A 53 9.534 -7.715 -1.346 1.00 0.00 C ATOM 807 CG LEU A 53 8.651 -7.568 -0.101 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.373 -6.797 0.988 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.307 -6.945 -0.437 1.00 0.00 C ATOM 0 H LEU A 53 8.821 -5.339 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 53 11.067 -6.372 -0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.882 -7.865 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.127 -8.622 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 53 8.448 -8.568 0.282 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.725 -6.706 1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.284 -7.327 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.629 -5.803 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.710 -6.857 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.462 -5.955 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.784 -7.575 -1.156 1.00 0.00 H new ATOM 821 N GLN A 54 11.281 -6.224 -3.939 1.00 0.00 N ATOM 822 CA GLN A 54 12.089 -6.445 -5.131 1.00 0.00 C ATOM 823 C GLN A 54 13.295 -5.491 -5.154 1.00 0.00 C ATOM 824 O GLN A 54 14.420 -5.922 -5.400 1.00 0.00 O ATOM 825 CB GLN A 54 11.195 -6.302 -6.382 1.00 0.00 C ATOM 826 CG GLN A 54 11.904 -6.486 -7.721 1.00 0.00 C ATOM 827 CD GLN A 54 12.530 -5.211 -8.271 1.00 0.00 C ATOM 828 OE1 GLN A 54 12.187 -4.072 -7.692 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 13.266 -5.250 -9.254 1.00 0.00 N flip ATOM 0 H GLN A 54 10.608 -5.463 -4.032 1.00 0.00 H new ATOM 0 HA GLN A 54 12.497 -7.456 -5.123 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.387 -7.031 -6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.735 -5.314 -6.367 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.682 -7.241 -7.608 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.190 -6.871 -8.449 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.509 -6.147 -9.674 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.634 -4.385 -9.650 1.00 0.00 H new ATOM 838 N ASN A 55 13.077 -4.218 -4.808 1.00 0.00 N ATOM 839 CA ASN A 55 14.181 -3.255 -4.699 1.00 0.00 C ATOM 840 C ASN A 55 14.925 -3.437 -3.387 1.00 0.00 C ATOM 841 O ASN A 55 14.334 -3.341 -2.320 1.00 0.00 O ATOM 842 CB ASN A 55 13.664 -1.816 -4.783 1.00 0.00 C ATOM 843 CG ASN A 55 13.012 -1.506 -6.110 1.00 0.00 C ATOM 844 OD1 ASN A 55 11.751 -1.121 -6.067 1.00 0.00 O flip ATOM 845 ND2 ASN A 55 13.639 -1.602 -7.165 1.00 0.00 N flip ATOM 0 H ASN A 55 12.156 -3.832 -4.600 1.00 0.00 H new ATOM 0 HA ASN A 55 14.860 -3.441 -5.531 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.945 -1.645 -3.981 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.493 -1.127 -4.620 1.00 0.00 H new ATOM 0 HD21 ASN A 55 14.613 -1.904 -7.154 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.184 -1.380 -8.051 1.00 0.00 H new ATOM 852 N PRO A 56 16.236 -3.675 -3.440 1.00 0.00 N ATOM 853 CA PRO A 56 17.044 -3.848 -2.233 1.00 0.00 C ATOM 854 C PRO A 56 17.112 -2.579 -1.377 1.00 0.00 C ATOM 855 O PRO A 56 17.050 -2.647 -0.147 1.00 0.00 O ATOM 856 CB PRO A 56 18.432 -4.208 -2.774 1.00 0.00 C ATOM 857 CG PRO A 56 18.450 -3.700 -4.175 1.00 0.00 C ATOM 858 CD PRO A 56 17.034 -3.785 -4.671 1.00 0.00 C ATOM 0 HA PRO A 56 16.621 -4.606 -1.573 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.219 -3.746 -2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.599 -5.285 -2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.814 -2.673 -4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 56 19.117 -4.297 -4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 56 16.805 -2.982 -5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.845 -4.725 -5.190 1.00 0.00 H new ATOM 866 N ASP A 57 17.335 -1.440 -2.024 1.00 0.00 N ATOM 867 CA ASP A 57 17.533 -0.175 -1.311 1.00 0.00 C ATOM 868 C ASP A 57 16.225 0.341 -0.731 1.00 0.00 C ATOM 869 O ASP A 57 16.142 0.681 0.451 1.00 0.00 O ATOM 870 CB ASP A 57 18.120 0.898 -2.241 1.00 0.00 C ATOM 871 CG ASP A 57 19.423 0.487 -2.900 1.00 0.00 C ATOM 872 OD1 ASP A 57 19.417 -0.479 -3.693 1.00 0.00 O ATOM 873 OD2 ASP A 57 20.459 1.134 -2.637 1.00 0.00 O ATOM 0 H ASP A 57 17.384 -1.363 -3.040 1.00 0.00 H new ATOM 0 HA ASP A 57 18.233 -0.374 -0.500 1.00 0.00 H new ATOM 0 HB2 ASP A 57 17.390 1.134 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 57 18.285 1.811 -1.669 1.00 0.00 H new ATOM 878 N ILE A 58 15.220 0.444 -1.589 1.00 0.00 N ATOM 879 CA ILE A 58 13.921 0.980 -1.204 1.00 0.00 C ATOM 880 C ILE A 58 13.284 0.113 -0.119 1.00 0.00 C ATOM 881 O ILE A 58 12.663 0.618 0.806 1.00 0.00 O ATOM 882 CB ILE A 58 12.985 1.092 -2.427 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.697 1.839 -3.559 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.709 1.830 -2.047 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.865 1.988 -4.815 1.00 0.00 C ATOM 0 H ILE A 58 15.281 0.160 -2.567 1.00 0.00 H new ATOM 0 HA ILE A 58 14.074 1.982 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 58 12.725 0.089 -2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.982 2.829 -3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.618 1.311 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 58 11.057 1.902 -2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 58 11.196 1.285 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.959 2.831 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.438 2.527 -5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.602 1.001 -5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.955 2.543 -4.585 1.00 0.00 H new ATOM 897 N ARG A 59 13.484 -1.193 -0.225 1.00 0.00 N ATOM 898 CA ARG A 59 12.966 -2.153 0.754 1.00 0.00 C ATOM 899 C ARG A 59 13.330 -1.778 2.194 1.00 0.00 C ATOM 900 O ARG A 59 12.629 -2.155 3.125 1.00 0.00 O ATOM 901 CB ARG A 59 13.508 -3.548 0.432 1.00 0.00 C ATOM 902 CG ARG A 59 13.063 -4.638 1.389 1.00 0.00 C ATOM 903 CD ARG A 59 13.556 -6.008 0.937 1.00 0.00 C ATOM 904 NE ARG A 59 15.019 -6.076 0.805 1.00 0.00 N ATOM 905 CZ ARG A 59 15.884 -5.941 1.814 1.00 0.00 C ATOM 906 NH1 ARG A 59 15.453 -5.776 3.061 1.00 0.00 N ATOM 907 NH2 ARG A 59 17.189 -5.996 1.578 1.00 0.00 N ATOM 0 H ARG A 59 14.008 -1.622 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 59 11.878 -2.140 0.683 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.197 -3.820 -0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.597 -3.508 0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.442 -4.424 2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.975 -4.644 1.455 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.226 -6.761 1.652 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.098 -6.255 -0.021 1.00 0.00 H new ATOM 0 HE ARG A 59 15.402 -6.238 -0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.452 -5.751 3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.123 -5.674 3.823 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.530 -6.141 0.628 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.851 -5.893 2.347 1.00 0.00 H new ATOM 921 N ALA A 60 14.514 -1.210 2.379 1.00 0.00 N ATOM 922 CA ALA A 60 15.049 -0.995 3.718 1.00 0.00 C ATOM 923 C ALA A 60 14.575 0.301 4.392 1.00 0.00 C ATOM 924 O ALA A 60 14.484 0.343 5.618 1.00 0.00 O ATOM 925 CB ALA A 60 16.571 -1.030 3.673 1.00 0.00 C ATOM 0 H ALA A 60 15.120 -0.891 1.623 1.00 0.00 H new ATOM 0 HA ALA A 60 14.659 -1.807 4.332 1.00 0.00 H new ATOM 0 HB1 ALA A 60 16.968 -0.869 4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.902 -2.000 3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.933 -0.246 3.009 1.00 0.00 H new ATOM 931 N GLU A 61 14.628 1.414 3.665 1.00 0.00 N ATOM 932 CA GLU A 61 14.592 2.721 4.336 1.00 0.00 C ATOM 933 C GLU A 61 13.197 3.183 4.783 1.00 0.00 C ATOM 934 O GLU A 61 13.011 3.509 5.959 1.00 0.00 O ATOM 935 CB GLU A 61 15.242 3.787 3.452 1.00 0.00 C ATOM 936 CG GLU A 61 16.641 3.394 2.998 1.00 0.00 C ATOM 937 CD GLU A 61 17.415 4.523 2.348 1.00 0.00 C ATOM 938 OE1 GLU A 61 16.945 5.673 2.374 1.00 0.00 O ATOM 939 OE2 GLU A 61 18.530 4.266 1.849 1.00 0.00 O ATOM 0 H GLU A 61 14.694 1.446 2.648 1.00 0.00 H new ATOM 0 HA GLU A 61 15.160 2.587 5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.615 3.961 2.577 1.00 0.00 H new ATOM 0 HB3 GLU A 61 15.292 4.728 4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 61 17.203 3.030 3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.565 2.566 2.293 1.00 0.00 H new ATOM 946 N LEU A 62 12.252 3.327 3.854 1.00 0.00 N ATOM 947 CA LEU A 62 10.942 3.896 4.207 1.00 0.00 C ATOM 948 C LEU A 62 10.098 3.007 5.135 1.00 0.00 C ATOM 949 O LEU A 62 9.323 3.541 5.919 1.00 0.00 O ATOM 950 CB LEU A 62 10.077 4.284 2.997 1.00 0.00 C ATOM 951 CG LEU A 62 9.583 3.122 2.138 1.00 0.00 C ATOM 952 CD1 LEU A 62 8.384 3.535 1.311 1.00 0.00 C ATOM 953 CD2 LEU A 62 10.684 2.649 1.225 1.00 0.00 C ATOM 0 H LEU A 62 12.359 3.066 2.874 1.00 0.00 H new ATOM 0 HA LEU A 62 11.223 4.801 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.211 4.841 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.652 4.961 2.365 1.00 0.00 H new ATOM 0 HG LEU A 62 9.287 2.311 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.050 2.691 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.577 3.850 1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.661 4.362 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.321 1.820 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.995 3.467 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.534 2.317 1.821 1.00 0.00 H new ATOM 965 N PRO A 63 10.159 1.659 5.058 1.00 0.00 N ATOM 966 CA PRO A 63 9.316 0.811 5.905 1.00 0.00 C ATOM 967 C PRO A 63 9.503 1.145 7.369 1.00 0.00 C ATOM 968 O PRO A 63 8.540 1.243 8.133 1.00 0.00 O ATOM 969 CB PRO A 63 9.809 -0.608 5.619 1.00 0.00 C ATOM 970 CG PRO A 63 11.116 -0.432 4.941 1.00 0.00 C ATOM 971 CD PRO A 63 10.984 0.839 4.164 1.00 0.00 C ATOM 0 HA PRO A 63 8.255 0.945 5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.916 -1.181 6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.106 -1.150 4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.930 -0.370 5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.336 -1.274 4.285 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.952 1.299 3.966 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.504 0.679 3.198 1.00 0.00 H new ATOM 979 N LYS A 64 10.758 1.374 7.731 1.00 0.00 N ATOM 980 CA LYS A 64 11.118 1.755 9.081 1.00 0.00 C ATOM 981 C LYS A 64 10.409 3.039 9.484 1.00 0.00 C ATOM 982 O LYS A 64 9.993 3.194 10.633 1.00 0.00 O ATOM 983 CB LYS A 64 12.630 1.905 9.196 1.00 0.00 C ATOM 984 CG LYS A 64 13.372 0.619 8.869 1.00 0.00 C ATOM 985 CD LYS A 64 14.882 0.730 9.068 1.00 0.00 C ATOM 986 CE LYS A 64 15.542 1.767 8.160 1.00 0.00 C ATOM 987 NZ LYS A 64 15.220 3.169 8.539 1.00 0.00 N ATOM 0 H LYS A 64 11.551 1.300 7.094 1.00 0.00 H new ATOM 0 HA LYS A 64 10.797 0.969 9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.965 2.695 8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 64 12.884 2.219 10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.987 -0.185 9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.167 0.342 7.835 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.086 0.987 10.108 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.337 -0.243 8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.623 1.629 8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.225 1.594 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.558 3.573 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.783 3.182 9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.093 3.734 8.554 1.00 0.00 H new ATOM 1001 N TYR A 65 10.213 3.924 8.513 1.00 0.00 N ATOM 1002 CA TYR A 65 9.481 5.153 8.746 1.00 0.00 C ATOM 1003 C TYR A 65 8.017 4.838 9.048 1.00 0.00 C ATOM 1004 O TYR A 65 7.418 5.477 9.916 1.00 0.00 O ATOM 1005 CB TYR A 65 9.657 6.138 7.550 1.00 0.00 C ATOM 1006 CG TYR A 65 8.426 6.468 6.693 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.260 6.986 7.255 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.447 6.283 5.306 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.165 7.301 6.477 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.345 6.595 4.523 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.212 7.104 5.118 1.00 0.00 C ATOM 1012 OH TYR A 65 5.123 7.435 4.348 1.00 0.00 O ATOM 0 H TYR A 65 10.553 3.809 7.558 1.00 0.00 H new ATOM 0 HA TYR A 65 9.889 5.659 9.621 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.048 7.075 7.946 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.421 5.727 6.890 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.213 7.144 8.322 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.337 5.890 4.837 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.273 7.702 6.935 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.375 6.440 3.455 1.00 0.00 H new ATOM 0 HH TYR A 65 4.406 6.784 4.498 1.00 0.00 H new ATOM 1022 N ALA A 66 7.406 3.926 8.280 1.00 0.00 N ATOM 1023 CA ALA A 66 5.985 3.673 8.461 1.00 0.00 C ATOM 1024 C ALA A 66 5.691 2.841 9.709 1.00 0.00 C ATOM 1025 O ALA A 66 5.081 3.344 10.655 1.00 0.00 O ATOM 1026 CB ALA A 66 5.469 2.938 7.246 1.00 0.00 C ATOM 0 H ALA A 66 7.861 3.372 7.554 1.00 0.00 H new ATOM 0 HA ALA A 66 5.488 4.635 8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.404 2.740 7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.627 3.549 6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.003 1.994 7.138 1.00 0.00 H new ATOM 1032 N ASN A 67 6.287 1.649 9.787 1.00 0.00 N ATOM 1033 CA ASN A 67 6.264 0.843 11.009 1.00 0.00 C ATOM 1034 C ASN A 67 7.119 -0.408 10.815 1.00 0.00 C ATOM 1035 O ASN A 67 8.020 -0.714 11.597 1.00 0.00 O ATOM 1036 CB ASN A 67 4.829 0.454 11.379 1.00 0.00 C ATOM 1037 CG ASN A 67 4.725 -0.231 12.726 1.00 0.00 C ATOM 1038 OD1 ASN A 67 5.289 -1.302 12.952 1.00 0.00 O ATOM 1039 ND2 ASN A 67 3.991 0.392 13.630 1.00 0.00 N ATOM 0 H ASN A 67 6.794 1.219 9.013 1.00 0.00 H new ATOM 0 HA ASN A 67 6.674 1.436 11.827 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.207 1.349 11.385 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.429 -0.207 10.610 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.874 -0.013 14.559 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.541 1.278 13.399 1.00 0.00 H new ATOM 1046 N TRP A 68 6.746 -1.142 9.763 1.00 0.00 N ATOM 1047 CA TRP A 68 7.346 -2.421 9.384 1.00 0.00 C ATOM 1048 C TRP A 68 8.850 -2.337 9.161 1.00 0.00 C ATOM 1049 O TRP A 68 9.354 -1.340 8.670 1.00 0.00 O ATOM 1050 CB TRP A 68 6.713 -2.931 8.086 1.00 0.00 C ATOM 1051 CG TRP A 68 5.381 -3.615 8.215 1.00 0.00 C ATOM 1052 CD1 TRP A 68 5.099 -4.865 7.757 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.160 -3.117 8.786 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.792 -5.183 8.013 1.00 0.00 N ATOM 1055 CE2 TRP A 68 3.194 -4.134 8.648 1.00 0.00 C ATOM 1056 CE3 TRP A 68 3.787 -1.927 9.406 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.886 -3.993 9.105 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.488 -1.788 9.861 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.553 -2.816 9.710 1.00 0.00 C ATOM 0 H TRP A 68 5.996 -0.853 9.134 1.00 0.00 H new ATOM 0 HA TRP A 68 7.160 -3.098 10.218 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.599 -2.086 7.407 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.409 -3.626 7.616 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.806 -5.514 7.262 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.338 -6.063 7.768 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.500 -1.126 9.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.162 -4.786 8.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.191 -0.868 10.342 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.548 -2.676 10.079 1.00 0.00 H new ATOM 1070 N PRO A 69 9.572 -3.444 9.394 1.00 0.00 N ATOM 1071 CA PRO A 69 10.994 -3.536 9.058 1.00 0.00 C ATOM 1072 C PRO A 69 11.182 -3.429 7.547 1.00 0.00 C ATOM 1073 O PRO A 69 12.110 -2.789 7.051 1.00 0.00 O ATOM 1074 CB PRO A 69 11.408 -4.931 9.551 1.00 0.00 C ATOM 1075 CG PRO A 69 10.261 -5.432 10.367 1.00 0.00 C ATOM 1076 CD PRO A 69 9.038 -4.733 9.851 1.00 0.00 C ATOM 0 HA PRO A 69 11.588 -2.741 9.509 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.612 -5.597 8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.319 -4.880 10.147 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.160 -6.513 10.272 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.414 -5.218 11.425 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.567 -5.287 9.039 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.285 -4.607 10.629 1.00 0.00 H new ATOM 1084 N THR A 70 10.231 -4.025 6.840 1.00 0.00 N ATOM 1085 CA THR A 70 10.161 -3.997 5.388 1.00 0.00 C ATOM 1086 C THR A 70 8.694 -3.881 4.968 1.00 0.00 C ATOM 1087 O THR A 70 7.995 -2.981 5.417 1.00 0.00 O ATOM 1088 CB THR A 70 10.805 -5.251 4.765 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.184 -6.435 5.282 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.299 -5.290 5.048 1.00 0.00 C ATOM 0 H THR A 70 9.471 -4.552 7.271 1.00 0.00 H new ATOM 0 HA THR A 70 10.721 -3.136 5.024 1.00 0.00 H new ATOM 0 HB THR A 70 10.656 -5.208 3.686 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.600 -7.225 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.731 -6.184 4.598 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.773 -4.405 4.624 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.465 -5.309 6.125 1.00 0.00 H new ATOM 1098 N PHE A 71 8.212 -4.792 4.136 1.00 0.00 N ATOM 1099 CA PHE A 71 6.818 -4.762 3.705 1.00 0.00 C ATOM 1100 C PHE A 71 6.298 -6.213 3.632 1.00 0.00 C ATOM 1101 O PHE A 71 6.969 -7.105 4.157 1.00 0.00 O ATOM 1102 CB PHE A 71 6.711 -4.046 2.344 1.00 0.00 C ATOM 1103 CG PHE A 71 7.319 -2.664 2.288 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.695 -2.496 2.246 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.516 -1.533 2.282 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.252 -1.238 2.200 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.073 -0.268 2.238 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.441 -0.123 2.198 1.00 0.00 C ATOM 0 H PHE A 71 8.760 -5.559 3.746 1.00 0.00 H new ATOM 0 HA PHE A 71 6.204 -4.207 4.415 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.192 -4.667 1.588 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.658 -3.972 2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.338 -3.364 2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.442 -1.642 2.312 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.325 -1.124 2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.436 0.604 2.235 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.879 0.864 2.165 1.00 0.00 H new ATOM 1118 N PRO A 72 5.145 -6.532 2.978 1.00 0.00 N ATOM 1119 CA PRO A 72 4.240 -5.582 2.305 1.00 0.00 C ATOM 1120 C PRO A 72 3.540 -4.619 3.261 1.00 0.00 C ATOM 1121 O PRO A 72 3.261 -4.955 4.414 1.00 0.00 O ATOM 1122 CB PRO A 72 3.207 -6.473 1.609 1.00 0.00 C ATOM 1123 CG PRO A 72 3.231 -7.754 2.361 1.00 0.00 C ATOM 1124 CD PRO A 72 4.627 -7.912 2.893 1.00 0.00 C ATOM 0 HA PRO A 72 4.801 -4.939 1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.216 -6.020 1.633 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.462 -6.627 0.560 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.506 -7.740 3.174 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.966 -8.589 1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.628 -8.398 3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.238 -8.526 2.231 1.00 0.00 H new ATOM 1132 N GLN A 73 3.179 -3.455 2.739 1.00 0.00 N ATOM 1133 CA GLN A 73 2.421 -2.469 3.494 1.00 0.00 C ATOM 1134 C GLN A 73 1.418 -1.787 2.575 1.00 0.00 C ATOM 1135 O GLN A 73 1.772 -1.303 1.500 1.00 0.00 O ATOM 1136 CB GLN A 73 3.312 -1.377 4.073 1.00 0.00 C ATOM 1137 CG GLN A 73 4.477 -1.837 4.927 1.00 0.00 C ATOM 1138 CD GLN A 73 5.302 -0.654 5.414 1.00 0.00 C ATOM 1139 OE1 GLN A 73 6.280 -0.806 6.126 1.00 0.00 O ATOM 1140 NE2 GLN A 73 4.900 0.549 5.026 1.00 0.00 N ATOM 0 H GLN A 73 3.402 -3.169 1.786 1.00 0.00 H new ATOM 0 HA GLN A 73 1.931 -3.003 4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.707 -0.785 3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.691 -0.712 4.673 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.104 -2.401 5.782 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.109 -2.513 4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.078 0.644 4.430 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.413 1.379 5.324 1.00 0.00 H new ATOM 1149 N LEU A 74 0.188 -1.699 3.035 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.869 -1.011 2.308 1.00 0.00 C ATOM 1151 C LEU A 74 -0.974 0.422 2.813 1.00 0.00 C ATOM 1152 O LEU A 74 -0.987 0.658 4.025 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.178 -1.787 2.496 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.409 -1.317 1.700 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -3.975 -0.014 2.235 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.054 -1.173 0.233 1.00 0.00 C ATOM 0 H LEU A 74 -0.112 -2.101 3.923 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.649 -0.969 1.241 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.990 -2.829 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.434 -1.762 3.555 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.183 -2.076 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.842 0.277 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.275 -0.147 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.215 0.765 2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.931 -0.840 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.255 -0.440 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.721 -2.135 -0.157 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.085 1.364 1.889 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.239 2.763 2.236 1.00 0.00 C ATOM 1170 C TRP A 75 -2.553 3.309 1.704 1.00 0.00 C ATOM 1171 O TRP A 75 -2.854 3.212 0.513 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.080 3.595 1.696 1.00 0.00 C ATOM 1173 CG TRP A 75 1.241 3.240 2.298 1.00 0.00 C ATOM 1174 CD1 TRP A 75 2.015 2.143 2.041 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.909 3.972 3.318 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.149 2.182 2.817 1.00 0.00 N ATOM 1177 CE2 TRP A 75 3.097 3.293 3.614 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.616 5.151 4.001 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 3.993 3.753 4.564 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.508 5.608 4.951 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.684 4.908 5.221 1.00 0.00 C ATOM 0 H TRP A 75 -1.071 1.180 0.886 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.240 2.832 3.324 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.024 3.467 0.615 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.283 4.650 1.882 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.772 1.363 1.335 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.904 1.496 2.801 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.708 5.697 3.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.905 3.216 4.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.293 6.518 5.491 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.365 5.289 5.967 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.296 3.937 2.589 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.550 4.575 2.240 1.00 0.00 C ATOM 1194 C VAL A 76 -4.425 6.080 2.456 1.00 0.00 C ATOM 1195 O VAL A 76 -4.169 6.510 3.580 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.694 4.031 3.130 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -6.997 4.755 2.865 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.879 2.543 2.919 1.00 0.00 C ATOM 0 H VAL A 76 -3.048 4.021 3.575 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.777 4.362 1.195 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.410 4.210 4.167 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.777 4.347 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.872 5.817 3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.281 4.623 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.688 2.183 3.555 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.126 2.351 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.957 2.022 3.176 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.619 6.876 1.394 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.544 8.346 1.500 1.00 0.00 C ATOM 1210 C ASP A 77 -3.172 8.760 2.038 1.00 0.00 C ATOM 1211 O ASP A 77 -2.990 9.786 2.695 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.664 8.806 2.428 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.715 10.298 2.700 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -5.943 11.082 1.762 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -5.555 10.694 3.870 1.00 0.00 O ATOM 0 H ASP A 77 -4.828 6.532 0.457 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.666 8.813 0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.618 8.500 1.998 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.561 8.284 3.379 1.00 0.00 H new ATOM 1220 N GLY A 78 -2.214 7.915 1.739 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.843 8.123 2.163 1.00 0.00 C ATOM 1222 C GLY A 78 -0.621 7.809 3.631 1.00 0.00 C ATOM 1223 O GLY A 78 0.303 8.337 4.252 1.00 0.00 O ATOM 0 H GLY A 78 -2.359 7.064 1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.184 7.499 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.563 9.159 1.973 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.423 6.898 4.167 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.267 6.461 5.546 1.00 0.00 C ATOM 1229 C GLU A 79 -1.274 4.943 5.649 1.00 0.00 C ATOM 1230 O GLU A 79 -2.031 4.261 4.957 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.337 7.065 6.449 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.223 8.571 6.581 1.00 0.00 C ATOM 1233 CD GLU A 79 -3.207 9.147 7.573 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -3.181 8.733 8.753 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -4.001 10.027 7.185 1.00 0.00 O ATOM 0 H GLU A 79 -2.189 6.448 3.666 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.297 6.820 5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.321 6.814 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.266 6.613 7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.210 8.829 6.890 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.386 9.030 5.606 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.335 4.433 6.431 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.104 3.007 6.558 1.00 0.00 C ATOM 1244 C LEU A 80 -1.240 2.298 7.283 1.00 0.00 C ATOM 1245 O LEU A 80 -1.590 2.649 8.410 1.00 0.00 O ATOM 1246 CB LEU A 80 1.209 2.770 7.305 1.00 0.00 C ATOM 1247 CG LEU A 80 1.525 1.314 7.614 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.777 0.531 6.342 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.714 1.226 8.553 1.00 0.00 C ATOM 0 H LEU A 80 0.292 5.004 6.999 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.051 2.591 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.025 3.185 6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.181 3.326 8.242 1.00 0.00 H new ATOM 0 HG LEU A 80 0.661 0.869 8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.000 -0.506 6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.890 0.569 5.710 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.622 0.966 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.932 0.180 8.768 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.583 1.689 8.084 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.483 1.747 9.482 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.701 1.212 6.686 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.669 0.338 7.325 1.00 0.00 C ATOM 1263 C VAL A 81 -2.011 -1.001 7.685 1.00 0.00 C ATOM 1264 O VAL A 81 -2.096 -1.472 8.817 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.886 0.091 6.399 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.886 -0.855 7.040 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.563 1.405 6.039 1.00 0.00 C ATOM 0 H VAL A 81 -1.418 0.913 5.753 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.020 0.825 8.235 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.515 -0.375 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.728 -1.007 6.364 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.404 -1.812 7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.245 -0.426 7.976 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.415 1.209 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.907 1.898 6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.853 2.051 5.522 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.371 -1.607 6.694 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.721 -2.900 6.872 1.00 0.00 C ATOM 1279 C GLY A 82 -0.848 -3.723 5.612 1.00 0.00 C ATOM 1280 O GLY A 82 -1.866 -3.631 4.942 1.00 0.00 O ATOM 0 H GLY A 82 -1.288 -1.222 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.331 -2.756 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.173 -3.431 7.710 1.00 0.00 H new ATOM 1284 N GLY A 83 0.240 -4.334 5.164 1.00 0.00 N ATOM 1285 CA GLY A 83 0.237 -4.916 3.830 1.00 0.00 C ATOM 1286 C GLY A 83 -0.335 -6.319 3.715 1.00 0.00 C ATOM 1287 O GLY A 83 -1.210 -6.553 2.895 1.00 0.00 O ATOM 0 H GLY A 83 1.110 -4.438 5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.330 -4.259 3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.262 -4.932 3.460 1.00 0.00 H new ATOM 1291 N CYS A 84 0.278 -7.289 4.373 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.095 -8.677 4.129 1.00 0.00 C ATOM 1293 C CYS A 84 -1.377 -9.084 4.849 1.00 0.00 C ATOM 1294 O CYS A 84 -2.369 -9.447 4.219 1.00 0.00 O ATOM 1295 CB CYS A 84 1.055 -9.607 4.514 1.00 0.00 C ATOM 1296 SG CYS A 84 1.648 -9.409 6.211 1.00 0.00 S ATOM 0 H CYS A 84 1.017 -7.151 5.063 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.296 -8.769 3.062 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.733 -10.639 4.374 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.887 -9.437 3.830 1.00 0.00 H new ATOM 0 HG CYS A 84 2.619 -10.245 6.432 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.295 -9.128 6.168 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.384 -9.620 7.003 1.00 0.00 C ATOM 1304 C ASP A 85 -3.458 -8.566 7.155 1.00 0.00 C ATOM 1305 O ASP A 85 -4.650 -8.870 7.180 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.853 -10.009 8.388 1.00 0.00 C ATOM 1307 CG ASP A 85 -0.784 -11.090 8.348 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -0.457 -11.587 7.250 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -0.258 -11.450 9.422 1.00 0.00 O ATOM 0 H ASP A 85 -0.474 -8.825 6.692 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.814 -10.497 6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -1.444 -9.123 8.873 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.684 -10.354 9.003 1.00 0.00 H new ATOM 1314 N ILE A 86 -3.012 -7.345 7.388 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.910 -6.250 7.699 1.00 0.00 C ATOM 1316 C ILE A 86 -4.912 -6.001 6.572 1.00 0.00 C ATOM 1317 O ILE A 86 -6.101 -5.845 6.833 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.128 -4.961 7.996 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.134 -5.184 9.144 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -4.091 -3.842 8.344 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.783 -5.594 10.449 1.00 0.00 C ATOM 0 H ILE A 86 -2.025 -7.087 7.367 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.466 -6.540 8.591 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.565 -4.681 7.106 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.419 -5.952 8.848 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.568 -4.267 9.304 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.530 -2.931 8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.765 -3.668 7.505 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.671 -4.121 9.224 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.015 -5.732 11.210 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.476 -4.817 10.770 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.326 -6.529 10.308 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.442 -5.999 5.323 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.338 -5.803 4.182 1.00 0.00 C ATOM 1335 C VAL A 87 -6.430 -6.856 4.169 1.00 0.00 C ATOM 1336 O VAL A 87 -7.605 -6.527 4.067 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.600 -5.846 2.828 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.584 -5.736 1.670 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.587 -4.730 2.743 1.00 0.00 C ATOM 0 H VAL A 87 -3.460 -6.129 5.078 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.768 -4.809 4.306 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.083 -6.803 2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -5.040 -5.769 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.289 -6.566 1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.128 -4.794 1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.076 -4.775 1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.094 -3.770 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.859 -4.838 3.547 1.00 0.00 H new ATOM 1349 N ILE A 88 -6.041 -8.117 4.313 1.00 0.00 N ATOM 1350 CA ILE A 88 -7.008 -9.200 4.352 1.00 0.00 C ATOM 1351 C ILE A 88 -7.974 -9.019 5.514 1.00 0.00 C ATOM 1352 O ILE A 88 -9.186 -9.077 5.323 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.328 -10.582 4.456 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.516 -10.879 3.190 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.369 -11.672 4.689 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.366 -10.996 1.942 1.00 0.00 C ATOM 0 H ILE A 88 -5.068 -8.411 4.404 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.559 -9.164 3.412 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.646 -10.567 5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.780 -10.088 3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.963 -11.807 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.873 -12.640 4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.906 -11.471 5.616 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.074 -11.686 3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.727 -11.207 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.085 -11.806 2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.899 -10.060 1.776 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.445 -8.815 6.715 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.303 -8.660 7.885 1.00 0.00 C ATOM 1370 C GLU A 89 -9.253 -7.478 7.725 1.00 0.00 C ATOM 1371 O GLU A 89 -10.461 -7.636 7.852 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.485 -8.463 9.161 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.358 -8.339 10.404 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.574 -8.008 11.656 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -6.337 -7.870 11.577 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.198 -7.887 12.730 1.00 0.00 O ATOM 0 H GLU A 89 -6.444 -8.754 6.904 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.880 -9.581 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.802 -9.304 9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.873 -7.567 9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.107 -7.565 10.238 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.895 -9.275 10.557 1.00 0.00 H new ATOM 1383 N MET A 90 -8.702 -6.297 7.449 1.00 0.00 N ATOM 1384 CA MET A 90 -9.509 -5.085 7.293 1.00 0.00 C ATOM 1385 C MET A 90 -10.540 -5.262 6.185 1.00 0.00 C ATOM 1386 O MET A 90 -11.700 -4.886 6.345 1.00 0.00 O ATOM 1387 CB MET A 90 -8.624 -3.863 7.025 1.00 0.00 C ATOM 1388 CG MET A 90 -7.665 -3.541 8.160 1.00 0.00 C ATOM 1389 SD MET A 90 -8.508 -3.191 9.715 1.00 0.00 S ATOM 1390 CE MET A 90 -7.105 -2.868 10.785 1.00 0.00 C ATOM 0 H MET A 90 -7.700 -6.152 7.328 1.00 0.00 H new ATOM 0 HA MET A 90 -10.041 -4.913 8.229 1.00 0.00 H new ATOM 0 HB2 MET A 90 -8.050 -4.034 6.114 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.261 -2.997 6.843 1.00 0.00 H new ATOM 0 HG2 MET A 90 -6.984 -4.380 8.303 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.056 -2.681 7.881 1.00 0.00 H new ATOM 0 HE1 MET A 90 -7.459 -2.634 11.789 1.00 0.00 H new ATOM 0 HE2 MET A 90 -6.465 -3.750 10.822 1.00 0.00 H new ATOM 0 HE3 MET A 90 -6.537 -2.024 10.395 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.136 -5.946 5.122 1.00 0.00 N ATOM 1401 CA TYR A 91 -11.044 -6.328 4.044 1.00 0.00 C ATOM 1402 C TYR A 91 -12.215 -7.154 4.569 1.00 0.00 C ATOM 1403 O TYR A 91 -13.377 -6.868 4.270 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.250 -7.136 3.024 1.00 0.00 C ATOM 1405 CG TYR A 91 -11.063 -8.050 2.142 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.994 -7.573 1.229 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.886 -9.420 2.247 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.722 -8.446 0.443 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.602 -10.295 1.473 1.00 0.00 C ATOM 1410 CZ TYR A 91 -12.522 -9.809 0.567 1.00 0.00 C ATOM 1411 OH TYR A 91 -13.245 -10.685 -0.213 1.00 0.00 O ATOM 0 H TYR A 91 -9.173 -6.252 4.981 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.460 -5.431 3.586 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.698 -6.443 2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.513 -7.736 3.557 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -12.151 -6.509 1.132 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.168 -9.807 2.955 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.444 -8.066 -0.265 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.447 -11.359 1.572 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.982 -11.605 -0.002 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.894 -8.176 5.348 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.900 -9.056 5.923 1.00 0.00 C ATOM 1423 C GLN A 92 -13.780 -8.280 6.899 1.00 0.00 C ATOM 1424 O GLN A 92 -14.998 -8.451 6.929 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.221 -10.237 6.614 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.320 -11.028 5.680 1.00 0.00 C ATOM 1427 CD GLN A 92 -10.580 -12.142 6.388 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -9.837 -11.902 7.339 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -10.769 -13.366 5.929 1.00 0.00 N ATOM 0 H GLN A 92 -10.935 -8.418 5.598 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.538 -9.444 5.129 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.632 -9.870 7.455 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.983 -10.900 7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.920 -11.451 4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.598 -10.353 5.220 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.393 -13.523 5.138 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.290 -14.154 6.366 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.148 -7.381 7.647 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.842 -6.495 8.582 1.00 0.00 C ATOM 1440 C ARG A 93 -14.818 -5.579 7.839 1.00 0.00 C ATOM 1441 O ARG A 93 -15.801 -5.105 8.408 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.828 -5.632 9.339 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.780 -6.422 10.100 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.344 -7.193 11.292 1.00 0.00 C ATOM 1445 NE ARG A 93 -12.758 -6.313 12.397 1.00 0.00 N ATOM 1446 CZ ARG A 93 -13.874 -5.570 12.430 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -14.865 -5.796 11.575 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -14.025 -4.650 13.376 1.00 0.00 N ATOM 0 H ARG A 93 -12.137 -7.244 7.623 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.398 -7.115 9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.326 -4.975 8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.364 -4.993 10.040 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.299 -7.124 9.418 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.007 -5.739 10.452 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.199 -7.784 10.965 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.592 -7.894 11.654 1.00 0.00 H new ATOM 0 HE ARG A 93 -12.142 -6.264 13.209 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.782 -6.541 10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -15.709 -5.224 11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.294 -4.511 14.073 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -14.872 -4.083 13.405 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.450 -5.235 6.614 1.00 0.00 N ATOM 1463 CA GLY A 94 -15.192 -4.262 5.839 1.00 0.00 C ATOM 1464 C GLY A 94 -14.784 -2.847 6.186 1.00 0.00 C ATOM 1465 O GLY A 94 -15.482 -1.888 5.870 1.00 0.00 O ATOM 0 H GLY A 94 -13.636 -5.620 6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.026 -4.439 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.259 -4.389 6.020 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.591 -2.731 6.751 1.00 0.00 N ATOM 1470 CA GLU A 95 -12.984 -1.447 7.059 1.00 0.00 C ATOM 1471 C GLU A 95 -12.142 -0.959 5.880 1.00 0.00 C ATOM 1472 O GLU A 95 -11.914 0.232 5.707 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.103 -1.589 8.290 1.00 0.00 C ATOM 1474 CG GLU A 95 -12.849 -2.120 9.495 1.00 0.00 C ATOM 1475 CD GLU A 95 -13.930 -1.182 9.987 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -13.599 -0.044 10.387 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -15.112 -1.580 9.999 1.00 0.00 O ATOM 0 H GLU A 95 -13.014 -3.531 7.010 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.772 -0.719 7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.273 -2.257 8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -11.672 -0.618 8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.298 -3.081 9.242 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -12.140 -2.302 10.302 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.566 -1.925 5.175 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.588 -1.677 4.109 1.00 0.00 C ATOM 1486 C LEU A 96 -11.231 -0.836 3.013 1.00 0.00 C ATOM 1487 O LEU A 96 -10.762 0.249 2.677 1.00 0.00 O ATOM 1488 CB LEU A 96 -10.136 -3.030 3.526 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.734 -3.105 2.894 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -8.506 -2.019 1.860 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -7.662 -3.063 3.965 1.00 0.00 C ATOM 0 H LEU A 96 -11.763 -2.915 5.325 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.728 -1.141 4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.184 -3.772 4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.861 -3.328 2.769 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.670 -4.059 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.503 -2.117 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.241 -2.118 1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.611 -1.041 2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.679 -3.117 3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.746 -2.133 4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -7.790 -3.909 4.641 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.361 -1.324 2.537 1.00 0.00 N ATOM 1504 CA GLN A 97 -13.169 -0.629 1.545 1.00 0.00 C ATOM 1505 C GLN A 97 -13.683 0.699 2.074 1.00 0.00 C ATOM 1506 O GLN A 97 -13.851 1.648 1.321 1.00 0.00 O ATOM 1507 CB GLN A 97 -14.347 -1.485 1.036 1.00 0.00 C ATOM 1508 CG GLN A 97 -15.195 -2.182 2.102 1.00 0.00 C ATOM 1509 CD GLN A 97 -14.573 -3.457 2.663 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -13.533 -3.439 3.320 1.00 0.00 O ATOM 1511 NE2 GLN A 97 -15.203 -4.584 2.386 1.00 0.00 N ATOM 0 H GLN A 97 -12.750 -2.221 2.828 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.508 -0.438 0.700 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.002 -0.846 0.443 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.950 -2.246 0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -15.371 -1.486 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -16.168 -2.424 1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -16.064 -4.566 1.839 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.829 -5.473 2.719 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.870 0.778 3.378 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.293 2.010 4.019 1.00 0.00 C ATOM 1522 C GLN A 98 -13.216 3.070 3.901 1.00 0.00 C ATOM 1523 O GLN A 98 -13.487 4.217 3.535 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.635 1.746 5.483 1.00 0.00 C ATOM 1525 CG GLN A 98 -15.979 1.071 5.688 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.145 1.901 5.179 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.270 2.167 3.981 1.00 0.00 O ATOM 1528 NE2 GLN A 98 -17.996 2.339 6.091 1.00 0.00 N ATOM 0 H GLN A 98 -13.734 -0.003 4.019 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.186 2.380 3.514 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -13.856 1.123 5.921 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.628 2.692 6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -15.977 0.107 5.179 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.120 0.870 6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -17.860 2.098 7.073 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -18.789 2.918 5.813 1.00 0.00 H new ATOM 1537 N LEU A 99 -11.992 2.665 4.181 1.00 0.00 N ATOM 1538 CA LEU A 99 -10.848 3.552 4.082 1.00 0.00 C ATOM 1539 C LEU A 99 -10.599 3.919 2.631 1.00 0.00 C ATOM 1540 O LEU A 99 -10.341 5.082 2.304 1.00 0.00 O ATOM 1541 CB LEU A 99 -9.603 2.866 4.649 1.00 0.00 C ATOM 1542 CG LEU A 99 -9.782 2.213 6.017 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.491 1.544 6.458 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -10.235 3.232 7.053 1.00 0.00 C ATOM 0 H LEU A 99 -11.763 1.718 4.482 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.057 4.456 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.275 2.104 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.803 3.603 4.719 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.557 1.452 5.931 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.635 1.083 7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.212 0.779 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.698 2.289 6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.355 2.741 8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.488 4.021 7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.187 3.665 6.746 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.650 2.911 1.767 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.399 3.117 0.350 1.00 0.00 C ATOM 1558 C ILE A 100 -11.476 4.008 -0.258 1.00 0.00 C ATOM 1559 O ILE A 100 -11.159 4.909 -1.014 1.00 0.00 O ATOM 1560 CB ILE A 100 -10.312 1.788 -0.436 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -9.220 0.880 0.146 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -10.036 2.060 -1.911 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.828 1.482 0.126 1.00 0.00 C ATOM 0 H ILE A 100 -10.862 1.947 2.024 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.429 3.608 0.270 1.00 0.00 H new ATOM 0 HB ILE A 100 -11.270 1.277 -0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.481 0.632 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.206 -0.055 -0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.978 1.115 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.842 2.666 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.091 2.594 -2.012 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.119 0.774 0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.542 1.703 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.821 2.402 0.711 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.737 3.773 0.108 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.850 4.584 -0.384 1.00 0.00 C ATOM 1577 C LYS A 101 -13.589 6.065 -0.168 1.00 0.00 C ATOM 1578 O LYS A 101 -13.661 6.871 -1.094 1.00 0.00 O ATOM 1579 CB LYS A 101 -15.137 4.245 0.366 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.292 5.123 -0.063 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.399 5.187 0.977 1.00 0.00 C ATOM 1582 CE LYS A 101 -18.003 3.829 1.269 1.00 0.00 C ATOM 1583 NZ LYS A 101 -19.048 3.906 2.323 1.00 0.00 N ATOM 0 H LYS A 101 -13.013 3.026 0.745 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.949 4.366 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.393 3.200 0.193 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.973 4.360 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -15.924 6.130 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.701 4.746 -1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -17.002 5.610 1.900 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -18.181 5.861 0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -18.436 3.420 0.356 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.218 3.142 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.743 3.361 3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.194 4.899 2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -19.939 3.512 1.958 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.348 6.414 1.085 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.151 7.801 1.467 1.00 0.00 C ATOM 1599 C GLU A 102 -11.985 8.395 0.703 1.00 0.00 C ATOM 1600 O GLU A 102 -12.032 9.535 0.235 1.00 0.00 O ATOM 1601 CB GLU A 102 -12.898 7.886 2.972 1.00 0.00 C ATOM 1602 CG GLU A 102 -12.674 9.300 3.481 1.00 0.00 C ATOM 1603 CD GLU A 102 -12.472 9.349 4.978 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -12.503 8.281 5.620 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -12.294 10.455 5.522 1.00 0.00 O ATOM 0 H GLU A 102 -13.284 5.751 1.858 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.048 8.370 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.748 7.452 3.498 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.027 7.279 3.219 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.802 9.728 2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -13.529 9.920 3.212 1.00 0.00 H new ATOM 1612 N THR A 103 -10.926 7.621 0.628 1.00 0.00 N ATOM 1613 CA THR A 103 -9.705 8.042 -0.015 1.00 0.00 C ATOM 1614 C THR A 103 -9.826 8.096 -1.536 1.00 0.00 C ATOM 1615 O THR A 103 -9.344 9.022 -2.172 1.00 0.00 O ATOM 1616 CB THR A 103 -8.569 7.112 0.386 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.457 7.107 1.811 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.271 7.564 -0.227 1.00 0.00 C ATOM 0 H THR A 103 -10.889 6.677 1.014 1.00 0.00 H new ATOM 0 HA THR A 103 -9.495 9.057 0.321 1.00 0.00 H new ATOM 0 HB THR A 103 -8.784 6.106 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 103 -9.078 6.448 2.186 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.472 6.886 0.072 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.361 7.562 -1.313 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.038 8.572 0.116 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.425 7.100 -2.130 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.538 7.068 -3.569 1.00 0.00 C ATOM 1628 C ALA A 104 -11.433 8.203 -4.051 1.00 0.00 C ATOM 1629 O ALA A 104 -11.117 8.892 -5.025 1.00 0.00 O ATOM 1630 CB ALA A 104 -11.067 5.726 -4.024 1.00 0.00 C ATOM 0 H ALA A 104 -10.841 6.303 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.549 7.206 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -11.147 5.716 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.385 4.938 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.050 5.555 -3.586 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.547 8.388 -3.358 1.00 0.00 N ATOM 1637 CA ALA A 105 -13.509 9.424 -3.698 1.00 0.00 C ATOM 1638 C ALA A 105 -12.925 10.838 -3.585 1.00 0.00 C ATOM 1639 O ALA A 105 -13.212 11.691 -4.423 1.00 0.00 O ATOM 1640 CB ALA A 105 -14.754 9.297 -2.835 1.00 0.00 C ATOM 0 H ALA A 105 -12.808 7.826 -2.548 1.00 0.00 H new ATOM 0 HA ALA A 105 -13.776 9.274 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -15.464 10.080 -3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.212 8.321 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -14.481 9.399 -1.785 1.00 0.00 H new ATOM 1646 N LYS A 106 -12.115 11.101 -2.555 1.00 0.00 N ATOM 1647 CA LYS A 106 -11.527 12.427 -2.387 1.00 0.00 C ATOM 1648 C LYS A 106 -10.533 12.707 -3.512 1.00 0.00 C ATOM 1649 O LYS A 106 -10.431 13.832 -3.998 1.00 0.00 O ATOM 1650 CB LYS A 106 -10.812 12.525 -1.042 1.00 0.00 C ATOM 1651 CG LYS A 106 -9.769 11.457 -0.949 1.00 0.00 C ATOM 1652 CD LYS A 106 -8.934 11.459 0.290 1.00 0.00 C ATOM 1653 CE LYS A 106 -9.748 11.446 1.574 1.00 0.00 C ATOM 1654 NZ LYS A 106 -8.868 11.444 2.776 1.00 0.00 N ATOM 0 H LYS A 106 -11.856 10.424 -1.837 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.328 13.165 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.352 13.507 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.530 12.418 -0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.262 10.488 -1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -9.106 11.549 -1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.278 10.589 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.294 12.341 0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.401 12.318 1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.391 10.566 1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.227 12.131 3.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.862 10.494 3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.900 11.706 2.498 1.00 0.00 H new ATOM 1668 N TYR A 107 -9.721 11.702 -3.851 1.00 0.00 N ATOM 1669 CA TYR A 107 -8.667 11.907 -4.833 1.00 0.00 C ATOM 1670 C TYR A 107 -9.191 11.908 -6.263 1.00 0.00 C ATOM 1671 O TYR A 107 -8.857 12.802 -7.040 1.00 0.00 O ATOM 1672 CB TYR A 107 -7.539 10.879 -4.698 1.00 0.00 C ATOM 1673 CG TYR A 107 -6.676 11.052 -3.472 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -5.647 11.981 -3.470 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -6.855 10.273 -2.332 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -4.831 12.141 -2.371 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.046 10.428 -1.234 1.00 0.00 C ATOM 1678 CZ TYR A 107 -5.034 11.367 -1.253 1.00 0.00 C ATOM 1679 OH TYR A 107 -4.225 11.531 -0.154 1.00 0.00 O ATOM 0 H TYR A 107 -9.775 10.759 -3.466 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.262 12.896 -4.618 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.975 9.880 -4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.906 10.935 -5.583 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.482 12.591 -4.346 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.643 9.535 -2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.035 12.871 -2.388 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.201 9.817 -0.357 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.779 11.645 0.646 1.00 0.00 H new ATOM 1689 N LYS A 108 -10.043 10.953 -6.607 1.00 0.00 N ATOM 1690 CA LYS A 108 -10.621 10.932 -7.942 1.00 0.00 C ATOM 1691 C LYS A 108 -11.995 11.566 -7.914 1.00 0.00 C ATOM 1692 O LYS A 108 -12.333 12.278 -6.968 1.00 0.00 O ATOM 1693 CB LYS A 108 -10.652 9.496 -8.517 1.00 0.00 C ATOM 1694 CG LYS A 108 -9.287 8.960 -8.955 1.00 0.00 C ATOM 1695 CD LYS A 108 -8.305 8.836 -7.805 1.00 0.00 C ATOM 1696 CE LYS A 108 -8.830 7.895 -6.743 1.00 0.00 C ATOM 1697 NZ LYS A 108 -8.979 6.505 -7.252 1.00 0.00 N ATOM 0 H LYS A 108 -10.345 10.196 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 108 -9.992 11.519 -8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -11.068 8.826 -7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -11.328 9.475 -9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -9.418 7.983 -9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.869 9.622 -9.714 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.347 8.472 -8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -8.125 9.818 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -8.152 7.897 -5.890 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.795 8.255 -6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.970 6.204 -7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -8.702 6.471 -8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.369 5.867 -6.702 1.00 0.00 H new ATOM 1711 N SER A 109 -12.841 11.109 -8.799 1.00 0.00 N ATOM 1712 CA SER A 109 -14.252 11.396 -8.716 1.00 0.00 C ATOM 1713 C SER A 109 -14.813 10.678 -7.494 1.00 0.00 C ATOM 1714 O SER A 109 -14.087 9.915 -6.855 1.00 0.00 O ATOM 1715 CB SER A 109 -14.942 10.956 -10.008 1.00 0.00 C ATOM 1716 OG SER A 109 -14.530 9.652 -10.387 1.00 0.00 O ATOM 0 H SER A 109 -12.575 10.530 -9.595 1.00 0.00 H new ATOM 0 HA SER A 109 -14.430 12.466 -8.604 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.023 10.974 -9.871 1.00 0.00 H new ATOM 0 HB3 SER A 109 -14.710 11.661 -10.806 1.00 0.00 H new ATOM 0 HG SER A 109 -15.002 8.988 -9.842 1.00 0.00 H new ATOM 1722 N GLU A 110 -16.048 10.981 -7.120 1.00 0.00 N ATOM 1723 CA GLU A 110 -16.665 10.419 -5.913 1.00 0.00 C ATOM 1724 C GLU A 110 -16.836 8.888 -5.989 1.00 0.00 C ATOM 1725 O GLU A 110 -17.957 8.373 -5.961 1.00 0.00 O ATOM 1726 CB GLU A 110 -18.010 11.101 -5.643 1.00 0.00 C ATOM 1727 CG GLU A 110 -18.978 11.060 -6.815 1.00 0.00 C ATOM 1728 CD GLU A 110 -20.328 11.645 -6.464 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -20.989 11.102 -5.553 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -20.733 12.649 -7.086 1.00 0.00 O ATOM 0 H GLU A 110 -16.653 11.619 -7.637 1.00 0.00 H new ATOM 0 HA GLU A 110 -15.987 10.615 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -18.479 10.625 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -17.829 12.141 -5.372 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -18.553 11.611 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -19.105 10.028 -7.142 1.00 0.00 H new ATOM 1737 N GLU A 111 -15.722 8.178 -6.134 1.00 0.00 N ATOM 1738 CA GLU A 111 -15.725 6.729 -6.268 1.00 0.00 C ATOM 1739 C GLU A 111 -16.381 6.052 -5.068 1.00 0.00 C ATOM 1740 O GLU A 111 -16.074 6.343 -3.911 1.00 0.00 O ATOM 1741 CB GLU A 111 -14.289 6.228 -6.478 1.00 0.00 C ATOM 1742 CG GLU A 111 -13.705 6.702 -7.796 1.00 0.00 C ATOM 1743 CD GLU A 111 -14.560 6.292 -8.976 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -14.748 5.079 -9.199 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -15.071 7.189 -9.680 1.00 0.00 O ATOM 0 H GLU A 111 -14.791 8.594 -6.162 1.00 0.00 H new ATOM 0 HA GLU A 111 -16.322 6.463 -7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.661 6.576 -5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.278 5.138 -6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -13.607 7.787 -7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.702 6.293 -7.916 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.371 5.197 -5.345 1.00 0.00 N ATOM 1753 CA PRO A 112 -18.152 4.525 -4.328 1.00 0.00 C ATOM 1754 C PRO A 112 -17.612 3.138 -3.978 1.00 0.00 C ATOM 1755 O PRO A 112 -18.261 2.124 -4.248 1.00 0.00 O ATOM 1756 CB PRO A 112 -19.514 4.401 -4.977 1.00 0.00 C ATOM 1757 CG PRO A 112 -19.253 4.333 -6.450 1.00 0.00 C ATOM 1758 CD PRO A 112 -17.865 4.875 -6.690 1.00 0.00 C ATOM 0 HA PRO A 112 -18.145 5.073 -3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -20.034 3.508 -4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -20.145 5.254 -4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -19.330 3.306 -6.806 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.993 4.917 -6.998 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -17.229 4.140 -7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.886 5.758 -7.329 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.360 3.102 -3.577 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.617 1.849 -3.407 1.00 0.00 C ATOM 1768 C ASP A 113 -16.364 0.822 -2.565 1.00 0.00 C ATOM 1769 O ASP A 113 -16.561 -0.315 -2.993 1.00 0.00 O ATOM 1770 CB ASP A 113 -14.278 2.128 -2.732 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.393 3.039 -3.541 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -13.809 4.186 -3.798 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -12.284 2.609 -3.907 1.00 0.00 O ATOM 0 H ASP A 113 -15.817 3.937 -3.356 1.00 0.00 H new ATOM 0 HA ASP A 113 -15.482 1.436 -4.407 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.456 2.576 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.760 1.185 -2.560 1.00 0.00 H new