USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1013 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 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 88 GLN : amide:sc= -0.191 K(o=-0.19,f=-3.7) USER MOD Set 2.1: A 67 ASN : amide:sc= 0.729 K(o=1.9,f=-4.8) USER MOD Set 2.2: A 79 LYS NZ :NH3+ -127:sc= 1.18 (180deg=0) USER MOD Set 3.1: A 35 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Set 3.2: A 41 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 23 MET CE :methyl -156:sc= 0 (180deg=0) USER MOD Set 4.2: A 53 MET CE :methyl 146:sc= -0.417 (180deg=-1.67!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0138 K(o=-0.014,f=-1.3) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= -0.0335 (180deg=-0.299) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.0176 (180deg=-0.123) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.14) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.4! C(o=-2.4!,f=-2.3!) USER MOD Single : A 48 THR OG1 : rot 120:sc= -0.0385 USER MOD Single : A 56 SER OG : rot -83:sc= 0.126 USER MOD Single : A 57 THR OG1 : rot -43:sc= 0.121 USER MOD Single : A 58 LYS NZ :NH3+ 152:sc= 1.21 (180deg=0.725) USER MOD Single : A 60 ASN : amide:sc= -0.132 K(o=-0.13,f=-3.7!) USER MOD Single : A 61 MET CE :methyl -154:sc= -0.441 (180deg=-2.13) USER MOD Single : A 69 HIS : no HD1:sc= -0.0673 X(o=-0.067,f=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.081 X(o=-0.081,f=-0.17) USER MOD Single : A 72 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.6) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.4 K(o=-0.4,f=-3.2) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -123:sc= 0 (180deg=-0.287) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 95 HIS :FLIP no HD1:sc= -0.509 F(o=-1.6,f=-0.51) USER MOD Single : A 99 LYS NZ :NH3+ 173:sc= 0.844 (180deg=0.718) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 90:sc= 0.728 USER MOD Single : A 104 ASN : amide:sc= 0.888 K(o=0.89,f=-7.6!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 100:sc= 1.27 USER MOD Single : A 116 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 119 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.15) USER MOD Single : A 123 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.0013) USER MOD Single : A 124 LYS NZ :NH3+ 164:sc= 1.35 (180deg=1.18) USER MOD Single : A 126 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.2) USER MOD Single : A 130 SER OG : rot -170:sc= 0.0723 USER MOD Single : A 131 MET CE :methyl 145:sc= -3.21 (180deg=-7.11!) USER MOD ----------------------------------------------------------------- ATOM 113 N LEU A 8 1.632 6.779 10.795 1.00 0.00 N ATOM 114 CA LEU A 8 1.285 6.884 9.384 1.00 0.00 C ATOM 115 C LEU A 8 1.427 8.312 8.842 1.00 0.00 C ATOM 116 O LEU A 8 0.538 9.150 8.965 1.00 0.00 O ATOM 117 CB LEU A 8 -0.076 6.196 9.143 1.00 0.00 C ATOM 118 CG LEU A 8 -0.531 6.072 7.685 1.00 0.00 C ATOM 119 CD1 LEU A 8 -1.421 7.251 7.283 1.00 0.00 C ATOM 120 CD2 LEU A 8 0.639 5.840 6.716 1.00 0.00 C ATOM 0 HA LEU A 8 2.010 6.340 8.779 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.033 5.195 9.573 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.839 6.747 9.693 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.143 5.173 7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.729 7.137 6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.303 7.275 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.865 8.182 7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.258 5.760 5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.334 6.677 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.156 4.918 6.984 1.00 0.00 H new ATOM 132 N SER A 9 2.592 8.585 8.261 1.00 0.00 N ATOM 133 CA SER A 9 2.996 9.906 7.805 1.00 0.00 C ATOM 134 C SER A 9 2.515 10.212 6.377 1.00 0.00 C ATOM 135 O SER A 9 2.419 11.389 6.019 1.00 0.00 O ATOM 136 CB SER A 9 4.518 9.990 7.957 1.00 0.00 C ATOM 137 OG SER A 9 4.853 9.873 9.330 1.00 0.00 O ATOM 0 H SER A 9 3.300 7.870 8.091 1.00 0.00 H new ATOM 0 HA SER A 9 2.521 10.676 8.413 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.998 9.197 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.884 10.937 7.560 1.00 0.00 H new ATOM 0 HG SER A 9 5.826 9.924 9.435 1.00 0.00 H new ATOM 143 N LEU A 10 2.164 9.188 5.585 1.00 0.00 N ATOM 144 CA LEU A 10 1.328 9.323 4.389 1.00 0.00 C ATOM 145 C LEU A 10 -0.094 9.782 4.773 1.00 0.00 C ATOM 146 O LEU A 10 -0.349 10.176 5.911 1.00 0.00 O ATOM 147 CB LEU A 10 1.370 8.037 3.521 1.00 0.00 C ATOM 148 CG LEU A 10 2.619 7.811 2.627 1.00 0.00 C ATOM 149 CD1 LEU A 10 2.407 6.661 1.629 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.980 9.073 1.834 1.00 0.00 C ATOM 0 H LEU A 10 2.459 8.228 5.763 1.00 0.00 H new ATOM 0 HA LEU A 10 1.736 10.108 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.275 7.179 4.187 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.491 8.039 2.876 1.00 0.00 H new ATOM 0 HG LEU A 10 3.433 7.557 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.304 6.536 1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.206 5.739 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.561 6.892 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.859 8.878 1.220 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.144 9.352 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.194 9.888 2.525 1.00 0.00 H new ATOM 162 N ASN A 11 -1.047 9.798 3.832 1.00 0.00 N ATOM 163 CA ASN A 11 -2.390 10.353 4.052 1.00 0.00 C ATOM 164 C ASN A 11 -3.481 9.407 3.543 1.00 0.00 C ATOM 165 O ASN A 11 -4.321 9.751 2.710 1.00 0.00 O ATOM 166 CB ASN A 11 -2.480 11.744 3.420 1.00 0.00 C ATOM 167 CG ASN A 11 -3.698 12.523 3.902 1.00 0.00 C ATOM 168 OD1 ASN A 11 -4.467 12.072 4.753 1.00 0.00 O ATOM 169 ND2 ASN A 11 -3.868 13.731 3.397 1.00 0.00 N ATOM 0 H ASN A 11 -0.908 9.425 2.893 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.561 10.457 5.124 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.576 12.306 3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.521 11.645 2.335 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.647 14.310 3.710 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.220 14.085 2.694 1.00 0.00 H new ATOM 176 N PHE A 12 -3.428 8.163 4.015 1.00 0.00 N ATOM 177 CA PHE A 12 -4.245 7.079 3.499 1.00 0.00 C ATOM 178 C PHE A 12 -5.727 7.304 3.729 1.00 0.00 C ATOM 179 O PHE A 12 -6.512 6.982 2.845 1.00 0.00 O ATOM 180 CB PHE A 12 -3.815 5.768 4.140 1.00 0.00 C ATOM 181 CG PHE A 12 -2.597 5.148 3.487 1.00 0.00 C ATOM 182 CD1 PHE A 12 -1.299 5.579 3.811 1.00 0.00 C ATOM 183 CD2 PHE A 12 -2.766 4.097 2.570 1.00 0.00 C ATOM 184 CE1 PHE A 12 -0.184 4.988 3.187 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.650 3.499 1.966 1.00 0.00 C ATOM 186 CZ PHE A 12 -0.357 3.968 2.242 1.00 0.00 C ATOM 0 H PHE A 12 -2.808 7.882 4.775 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.092 7.041 2.421 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.604 5.941 5.195 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.643 5.061 4.092 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.157 6.364 4.539 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.759 3.748 2.329 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.811 5.323 3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.787 2.673 1.284 1.00 0.00 H new ATOM 0 HZ PHE A 12 0.496 3.547 1.731 1.00 0.00 H new ATOM 196 N GLY A 13 -6.135 7.855 4.870 1.00 0.00 N ATOM 197 CA GLY A 13 -7.545 8.010 5.204 1.00 0.00 C ATOM 198 C GLY A 13 -8.285 8.839 4.152 1.00 0.00 C ATOM 199 O GLY A 13 -9.393 8.487 3.753 1.00 0.00 O ATOM 0 H GLY A 13 -5.498 8.205 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.010 7.028 5.287 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.638 8.490 6.178 1.00 0.00 H new ATOM 203 N LYS A 14 -7.658 9.896 3.626 1.00 0.00 N ATOM 204 CA LYS A 14 -8.219 10.716 2.552 1.00 0.00 C ATOM 205 C LYS A 14 -8.294 9.970 1.230 1.00 0.00 C ATOM 206 O LYS A 14 -9.284 10.071 0.513 1.00 0.00 O ATOM 207 CB LYS A 14 -7.397 12.003 2.395 1.00 0.00 C ATOM 208 CG LYS A 14 -8.161 13.183 3.004 1.00 0.00 C ATOM 209 CD LYS A 14 -9.259 13.702 2.056 1.00 0.00 C ATOM 210 CE LYS A 14 -8.709 14.639 0.972 1.00 0.00 C ATOM 211 NZ LYS A 14 -8.209 15.896 1.561 1.00 0.00 N ATOM 0 H LYS A 14 -6.738 10.208 3.938 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.242 10.967 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.431 11.891 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.198 12.192 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.611 12.877 3.948 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.464 13.990 3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.754 12.855 1.581 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.016 14.229 2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.904 14.142 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.492 14.860 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.130 16.620 0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.870 16.223 2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.274 15.732 1.986 1.00 0.00 H new ATOM 225 N ALA A 15 -7.240 9.252 0.865 1.00 0.00 N ATOM 226 CA ALA A 15 -7.281 8.440 -0.345 1.00 0.00 C ATOM 227 C ALA A 15 -8.341 7.329 -0.231 1.00 0.00 C ATOM 228 O ALA A 15 -9.055 7.047 -1.190 1.00 0.00 O ATOM 229 CB ALA A 15 -5.887 7.859 -0.564 1.00 0.00 C ATOM 0 H ALA A 15 -6.360 9.214 1.379 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.566 9.053 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.886 7.245 -1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.168 8.671 -0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.610 7.246 0.293 1.00 0.00 H new ATOM 235 N LEU A 16 -8.488 6.718 0.947 1.00 0.00 N ATOM 236 CA LEU A 16 -9.517 5.736 1.276 1.00 0.00 C ATOM 237 C LEU A 16 -10.900 6.388 1.219 1.00 0.00 C ATOM 238 O LEU A 16 -11.841 5.758 0.742 1.00 0.00 O ATOM 239 CB LEU A 16 -9.254 5.130 2.667 1.00 0.00 C ATOM 240 CG LEU A 16 -8.071 4.140 2.696 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.578 3.916 4.122 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.426 2.757 2.149 1.00 0.00 C ATOM 0 H LEU A 16 -7.863 6.905 1.731 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.485 4.930 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.060 5.936 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.154 4.618 3.007 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.310 4.602 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.744 3.214 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.249 4.865 4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.388 3.509 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.550 2.110 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.230 2.325 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.752 2.848 1.113 1.00 0.00 H new ATOM 254 N ASP A 17 -11.023 7.651 1.638 1.00 0.00 N ATOM 255 CA ASP A 17 -12.254 8.434 1.567 1.00 0.00 C ATOM 256 C ASP A 17 -12.723 8.595 0.130 1.00 0.00 C ATOM 257 O ASP A 17 -13.927 8.689 -0.075 1.00 0.00 O ATOM 258 CB ASP A 17 -12.099 9.813 2.241 1.00 0.00 C ATOM 259 CG ASP A 17 -13.194 10.834 1.887 1.00 0.00 C ATOM 260 OD1 ASP A 17 -13.143 11.483 0.815 1.00 0.00 O ATOM 261 OD2 ASP A 17 -14.099 11.078 2.712 1.00 0.00 O ATOM 0 H ASP A 17 -10.245 8.169 2.047 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.014 7.879 2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.088 9.674 3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.131 10.230 1.964 1.00 0.00 H new ATOM 266 N GLU A 18 -11.838 8.535 -0.864 1.00 0.00 N ATOM 267 CA GLU A 18 -12.222 8.461 -2.272 1.00 0.00 C ATOM 268 C GLU A 18 -12.431 7.010 -2.691 1.00 0.00 C ATOM 269 O GLU A 18 -13.418 6.689 -3.351 1.00 0.00 O ATOM 270 CB GLU A 18 -11.147 9.135 -3.143 1.00 0.00 C ATOM 271 CG GLU A 18 -10.949 10.606 -2.759 1.00 0.00 C ATOM 272 CD GLU A 18 -10.866 11.517 -3.977 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.967 11.355 -4.833 1.00 0.00 O ATOM 274 OE2 GLU A 18 -11.701 12.447 -4.051 1.00 0.00 O ATOM 0 H GLU A 18 -10.829 8.536 -0.714 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.164 8.990 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.203 8.600 -3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.434 9.068 -4.192 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.774 10.927 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.037 10.706 -2.171 1.00 0.00 H new ATOM 281 N CYS A 19 -11.551 6.099 -2.275 1.00 0.00 N ATOM 282 CA CYS A 19 -11.581 4.736 -2.756 1.00 0.00 C ATOM 283 C CYS A 19 -12.782 3.921 -2.350 1.00 0.00 C ATOM 284 O CYS A 19 -13.193 3.038 -3.108 1.00 0.00 O ATOM 285 CB CYS A 19 -10.313 4.020 -2.329 1.00 0.00 C ATOM 286 SG CYS A 19 -8.981 4.181 -3.523 1.00 0.00 S ATOM 0 H CYS A 19 -10.809 6.291 -1.602 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.654 4.822 -3.840 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.983 4.418 -1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.532 2.963 -2.178 1.00 0.00 H new ATOM 291 N LYS A 20 -13.388 4.206 -1.201 1.00 0.00 N ATOM 292 CA LYS A 20 -14.567 3.523 -0.827 1.00 0.00 C ATOM 293 C LYS A 20 -15.680 4.054 -1.733 1.00 0.00 C ATOM 294 O LYS A 20 -16.622 3.312 -1.977 1.00 0.00 O ATOM 295 CB LYS A 20 -14.693 3.749 0.688 1.00 0.00 C ATOM 296 CG LYS A 20 -15.701 4.787 1.086 1.00 0.00 C ATOM 297 CD LYS A 20 -15.423 6.264 0.901 1.00 0.00 C ATOM 298 CE LYS A 20 -15.338 7.018 2.233 1.00 0.00 C ATOM 299 NZ LYS A 20 -16.604 7.043 2.987 1.00 0.00 N ATOM 0 H LYS A 20 -13.064 4.906 -0.533 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.595 2.443 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.959 2.804 1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.718 4.039 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.618 4.565 0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.915 4.634 2.144 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.487 6.389 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.209 6.704 0.288 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.567 6.558 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -15.021 8.043 2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -16.569 7.800 3.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.394 7.218 2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.744 6.128 3.461 1.00 0.00 H new ATOM 313 N LYS A 21 -15.619 5.309 -2.224 1.00 0.00 N ATOM 314 CA LYS A 21 -16.706 5.862 -3.010 1.00 0.00 C ATOM 315 C LYS A 21 -16.765 5.144 -4.344 1.00 0.00 C ATOM 316 O LYS A 21 -17.833 4.659 -4.695 1.00 0.00 O ATOM 317 CB LYS A 21 -16.596 7.377 -3.233 1.00 0.00 C ATOM 318 CG LYS A 21 -16.675 8.117 -1.908 1.00 0.00 C ATOM 319 CD LYS A 21 -16.947 9.612 -2.006 1.00 0.00 C ATOM 320 CE LYS A 21 -17.159 10.126 -0.576 1.00 0.00 C ATOM 321 NZ LYS A 21 -15.912 10.583 0.049 1.00 0.00 N ATOM 0 H LYS A 21 -14.831 5.941 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.624 5.707 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.655 7.610 -3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.397 7.713 -3.892 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.460 7.662 -1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.736 7.971 -1.374 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.111 10.126 -2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.828 9.804 -2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.876 10.947 -0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.596 9.333 0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.130 11.073 0.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.301 9.764 0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.420 11.236 -0.594 1.00 0.00 H new ATOM 335 N GLU A 22 -15.633 5.044 -5.045 1.00 0.00 N ATOM 336 CA GLU A 22 -15.526 4.517 -6.402 1.00 0.00 C ATOM 337 C GLU A 22 -16.244 3.200 -6.617 1.00 0.00 C ATOM 338 O GLU A 22 -16.818 2.976 -7.681 1.00 0.00 O ATOM 339 CB GLU A 22 -14.042 4.288 -6.675 1.00 0.00 C ATOM 340 CG GLU A 22 -13.372 5.608 -7.013 1.00 0.00 C ATOM 341 CD GLU A 22 -13.359 5.837 -8.529 1.00 0.00 C ATOM 342 OE1 GLU A 22 -14.412 5.698 -9.186 1.00 0.00 O ATOM 343 OE2 GLU A 22 -12.295 6.201 -9.077 1.00 0.00 O ATOM 0 H GLU A 22 -14.733 5.340 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.993 5.240 -7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.567 3.842 -5.802 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.919 3.585 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.899 6.425 -6.521 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.351 5.612 -6.631 1.00 0.00 H new ATOM 350 N MET A 23 -16.124 2.322 -5.629 1.00 0.00 N ATOM 351 CA MET A 23 -16.602 0.953 -5.704 1.00 0.00 C ATOM 352 C MET A 23 -17.915 0.784 -4.928 1.00 0.00 C ATOM 353 O MET A 23 -18.529 -0.282 -4.986 1.00 0.00 O ATOM 354 CB MET A 23 -15.520 0.013 -5.139 1.00 0.00 C ATOM 355 CG MET A 23 -14.055 0.475 -5.291 1.00 0.00 C ATOM 356 SD MET A 23 -12.856 -0.821 -5.670 1.00 0.00 S ATOM 357 CE MET A 23 -12.989 -0.761 -7.473 1.00 0.00 C ATOM 0 H MET A 23 -15.683 2.549 -4.738 1.00 0.00 H new ATOM 0 HA MET A 23 -16.800 0.702 -6.746 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.721 -0.139 -4.079 1.00 0.00 H new ATOM 0 HB3 MET A 23 -15.624 -0.957 -5.625 1.00 0.00 H new ATOM 0 HG2 MET A 23 -14.011 1.226 -6.080 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.751 0.966 -4.366 1.00 0.00 H new ATOM 0 HE1 MET A 23 -12.682 -1.719 -7.893 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.022 -0.556 -7.755 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.344 0.028 -7.859 1.00 0.00 H new ATOM 367 N THR A 24 -18.310 1.799 -4.149 1.00 0.00 N ATOM 368 CA THR A 24 -19.061 1.656 -2.910 1.00 0.00 C ATOM 369 C THR A 24 -18.583 0.402 -2.154 1.00 0.00 C ATOM 370 O THR A 24 -19.255 -0.627 -2.099 1.00 0.00 O ATOM 371 CB THR A 24 -20.563 1.824 -3.176 1.00 0.00 C ATOM 372 OG1 THR A 24 -20.773 3.168 -3.599 1.00 0.00 O ATOM 373 CG2 THR A 24 -21.427 1.636 -1.926 1.00 0.00 C ATOM 0 H THR A 24 -18.105 2.772 -4.378 1.00 0.00 H new ATOM 0 HA THR A 24 -18.859 2.460 -2.203 1.00 0.00 H new ATOM 0 HB THR A 24 -20.846 1.070 -3.910 1.00 0.00 H new ATOM 0 HG1 THR A 24 -21.726 3.309 -3.780 1.00 0.00 H new ATOM 0 HG21 THR A 24 -22.477 1.769 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 24 -21.276 0.633 -1.527 1.00 0.00 H new ATOM 0 HG23 THR A 24 -21.144 2.372 -1.174 1.00 0.00 H new ATOM 381 N LEU A 25 -17.378 0.496 -1.580 1.00 0.00 N ATOM 382 CA LEU A 25 -16.940 -0.400 -0.508 1.00 0.00 C ATOM 383 C LEU A 25 -17.684 0.002 0.770 1.00 0.00 C ATOM 384 O LEU A 25 -18.399 1.012 0.791 1.00 0.00 O ATOM 385 CB LEU A 25 -15.417 -0.329 -0.249 1.00 0.00 C ATOM 386 CG LEU A 25 -14.491 -0.402 -1.481 1.00 0.00 C ATOM 387 CD1 LEU A 25 -13.029 -0.176 -1.070 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.591 -1.762 -2.177 1.00 0.00 C ATOM 0 H LEU A 25 -16.683 1.193 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.163 -1.424 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.206 0.602 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.150 -1.144 0.424 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.814 0.379 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.391 -0.231 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.928 0.807 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.729 -0.943 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.926 -1.779 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.302 -2.549 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.617 -1.928 -2.506 1.00 0.00 H new ATOM 400 N THR A 26 -17.479 -0.739 1.850 1.00 0.00 N ATOM 401 CA THR A 26 -18.032 -0.398 3.156 1.00 0.00 C ATOM 402 C THR A 26 -17.274 0.791 3.752 1.00 0.00 C ATOM 403 O THR A 26 -16.091 0.962 3.471 1.00 0.00 O ATOM 404 CB THR A 26 -17.959 -1.612 4.094 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.649 -2.140 4.207 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.865 -2.735 3.580 1.00 0.00 C ATOM 0 H THR A 26 -16.924 -1.595 1.847 1.00 0.00 H new ATOM 0 HA THR A 26 -19.078 -0.117 3.037 1.00 0.00 H new ATOM 0 HB THR A 26 -18.281 -1.256 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.657 -2.908 4.815 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.804 -3.589 4.254 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.895 -2.380 3.536 1.00 0.00 H new ATOM 0 HG23 THR A 26 -18.542 -3.036 2.583 1.00 0.00 H new ATOM 414 N ASP A 27 -17.898 1.546 4.659 1.00 0.00 N ATOM 415 CA ASP A 27 -17.223 2.606 5.421 1.00 0.00 C ATOM 416 C ASP A 27 -16.140 2.027 6.348 1.00 0.00 C ATOM 417 O ASP A 27 -15.137 2.675 6.640 1.00 0.00 O ATOM 418 CB ASP A 27 -18.284 3.367 6.231 1.00 0.00 C ATOM 419 CG ASP A 27 -17.869 4.745 6.753 1.00 0.00 C ATOM 420 OD1 ASP A 27 -16.712 5.186 6.610 1.00 0.00 O ATOM 421 OD2 ASP A 27 -18.786 5.459 7.229 1.00 0.00 O ATOM 0 H ASP A 27 -18.886 1.442 4.888 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.720 3.285 4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.170 3.488 5.608 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.574 2.750 7.082 1.00 0.00 H new ATOM 426 N ALA A 28 -16.306 0.761 6.757 1.00 0.00 N ATOM 427 CA ALA A 28 -15.401 0.046 7.651 1.00 0.00 C ATOM 428 C ALA A 28 -13.956 0.000 7.142 1.00 0.00 C ATOM 429 O ALA A 28 -13.044 -0.118 7.959 1.00 0.00 O ATOM 430 CB ALA A 28 -15.919 -1.381 7.858 1.00 0.00 C ATOM 0 H ALA A 28 -17.101 0.194 6.462 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.383 0.594 8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.246 -1.919 8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.915 -1.346 8.298 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.965 -1.894 6.898 1.00 0.00 H new ATOM 436 N ILE A 29 -13.730 0.132 5.828 1.00 0.00 N ATOM 437 CA ILE A 29 -12.400 0.196 5.213 1.00 0.00 C ATOM 438 C ILE A 29 -11.519 1.289 5.831 1.00 0.00 C ATOM 439 O ILE A 29 -10.298 1.207 5.722 1.00 0.00 O ATOM 440 CB ILE A 29 -12.511 0.220 3.675 1.00 0.00 C ATOM 441 CG1 ILE A 29 -13.078 1.540 3.128 1.00 0.00 C ATOM 442 CG2 ILE A 29 -13.330 -0.980 3.162 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.934 2.507 2.861 1.00 0.00 C ATOM 0 H ILE A 29 -14.487 0.199 5.147 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.859 -0.720 5.447 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.492 0.141 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.636 1.357 2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.776 1.974 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.393 -0.939 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.843 -1.908 3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.334 -0.943 3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.333 3.444 2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.395 2.699 3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.253 2.072 2.129 1.00 0.00 H new ATOM 455 N ASN A 30 -12.116 2.287 6.492 1.00 0.00 N ATOM 456 CA ASN A 30 -11.412 3.326 7.230 1.00 0.00 C ATOM 457 C ASN A 30 -10.485 2.769 8.309 1.00 0.00 C ATOM 458 O ASN A 30 -9.437 3.348 8.583 1.00 0.00 O ATOM 459 CB ASN A 30 -12.457 4.206 7.913 1.00 0.00 C ATOM 460 CG ASN A 30 -11.807 5.328 8.705 1.00 0.00 C ATOM 461 OD1 ASN A 30 -11.889 5.369 9.934 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.155 6.248 8.018 1.00 0.00 N ATOM 0 H ASN A 30 -13.130 2.392 6.525 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.796 3.877 6.520 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.125 4.628 7.163 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.069 3.597 8.578 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.701 7.021 8.504 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.105 6.186 7.001 1.00 0.00 H new ATOM 469 N GLU A 31 -10.890 1.673 8.938 1.00 0.00 N ATOM 470 CA GLU A 31 -10.181 1.017 10.033 1.00 0.00 C ATOM 471 C GLU A 31 -9.693 -0.363 9.606 1.00 0.00 C ATOM 472 O GLU A 31 -8.553 -0.712 9.899 1.00 0.00 O ATOM 473 CB GLU A 31 -11.114 0.923 11.240 1.00 0.00 C ATOM 474 CG GLU A 31 -11.047 2.159 12.151 1.00 0.00 C ATOM 475 CD GLU A 31 -10.093 1.935 13.325 1.00 0.00 C ATOM 476 OE1 GLU A 31 -10.461 1.197 14.266 1.00 0.00 O ATOM 477 OE2 GLU A 31 -8.969 2.489 13.335 1.00 0.00 O ATOM 0 H GLU A 31 -11.757 1.196 8.690 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.303 1.603 10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.138 0.791 10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.859 0.037 11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.718 3.022 11.572 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.043 2.389 12.528 1.00 0.00 H new ATOM 484 N ASP A 32 -10.517 -1.119 8.875 1.00 0.00 N ATOM 485 CA ASP A 32 -10.255 -2.490 8.429 1.00 0.00 C ATOM 486 C ASP A 32 -8.915 -2.585 7.693 1.00 0.00 C ATOM 487 O ASP A 32 -8.133 -3.506 7.928 1.00 0.00 O ATOM 488 CB ASP A 32 -11.426 -2.930 7.539 1.00 0.00 C ATOM 489 CG ASP A 32 -11.459 -4.423 7.236 1.00 0.00 C ATOM 490 OD1 ASP A 32 -11.898 -5.181 8.130 1.00 0.00 O ATOM 491 OD2 ASP A 32 -11.208 -4.810 6.073 1.00 0.00 O ATOM 0 H ASP A 32 -11.426 -0.776 8.564 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.179 -3.157 9.288 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.361 -2.649 8.024 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.378 -2.382 6.598 1.00 0.00 H new ATOM 496 N PHE A 33 -8.615 -1.563 6.883 1.00 0.00 N ATOM 497 CA PHE A 33 -7.369 -1.419 6.145 1.00 0.00 C ATOM 498 C PHE A 33 -6.172 -1.301 7.085 1.00 0.00 C ATOM 499 O PHE A 33 -5.162 -1.979 6.897 1.00 0.00 O ATOM 500 CB PHE A 33 -7.481 -0.172 5.260 1.00 0.00 C ATOM 501 CG PHE A 33 -6.236 0.144 4.457 1.00 0.00 C ATOM 502 CD1 PHE A 33 -6.018 -0.464 3.207 1.00 0.00 C ATOM 503 CD2 PHE A 33 -5.282 1.044 4.968 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.847 -0.178 2.481 1.00 0.00 C ATOM 505 CE2 PHE A 33 -4.113 1.321 4.243 1.00 0.00 C ATOM 506 CZ PHE A 33 -3.884 0.699 3.010 1.00 0.00 C ATOM 0 H PHE A 33 -9.261 -0.790 6.722 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.206 -2.306 5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.317 -0.304 4.573 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.718 0.685 5.890 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.749 -1.150 2.805 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.450 1.523 5.921 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.688 -0.633 1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.387 2.017 4.638 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.971 0.892 2.467 1.00 0.00 H new ATOM 516 N TYR A 34 -6.267 -0.413 8.073 1.00 0.00 N ATOM 517 CA TYR A 34 -5.211 -0.161 9.053 1.00 0.00 C ATOM 518 C TYR A 34 -4.995 -1.437 9.884 1.00 0.00 C ATOM 519 O TYR A 34 -3.868 -1.814 10.203 1.00 0.00 O ATOM 520 CB TYR A 34 -5.549 1.058 9.934 1.00 0.00 C ATOM 521 CG TYR A 34 -5.505 2.427 9.242 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.387 2.698 8.180 1.00 0.00 C ATOM 523 CD2 TYR A 34 -4.620 3.452 9.655 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.384 3.938 7.521 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.630 4.710 9.021 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.513 4.963 7.949 1.00 0.00 C ATOM 527 OH TYR A 34 -5.558 6.184 7.354 1.00 0.00 O ATOM 0 H TYR A 34 -7.096 0.163 8.218 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.281 0.084 8.540 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.547 0.915 10.348 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.855 1.076 10.774 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.083 1.935 7.864 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.930 3.267 10.465 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.048 4.107 6.686 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.958 5.486 9.357 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.894 6.774 7.768 1.00 0.00 H new ATOM 537 N ASN A 35 -6.078 -2.157 10.190 1.00 0.00 N ATOM 538 CA ASN A 35 -6.025 -3.409 10.944 1.00 0.00 C ATOM 539 C ASN A 35 -5.200 -4.487 10.237 1.00 0.00 C ATOM 540 O ASN A 35 -4.717 -5.385 10.916 1.00 0.00 O ATOM 541 CB ASN A 35 -7.420 -3.979 11.261 1.00 0.00 C ATOM 542 CG ASN A 35 -8.323 -3.033 12.045 1.00 0.00 C ATOM 543 OD1 ASN A 35 -7.852 -2.139 12.743 1.00 0.00 O ATOM 544 ND2 ASN A 35 -9.633 -3.220 11.968 1.00 0.00 N ATOM 0 H ASN A 35 -7.023 -1.884 9.919 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.535 -3.144 11.881 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.914 -4.241 10.325 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.302 -4.902 11.828 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.266 -2.617 12.493 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.008 -3.967 11.384 1.00 0.00 H new ATOM 551 N PHE A 36 -4.996 -4.413 8.915 1.00 0.00 N ATOM 552 CA PHE A 36 -4.229 -5.398 8.143 1.00 0.00 C ATOM 553 C PHE A 36 -2.794 -5.573 8.676 1.00 0.00 C ATOM 554 O PHE A 36 -2.178 -6.630 8.517 1.00 0.00 O ATOM 555 CB PHE A 36 -4.227 -4.968 6.666 1.00 0.00 C ATOM 556 CG PHE A 36 -3.694 -5.932 5.611 1.00 0.00 C ATOM 557 CD1 PHE A 36 -3.692 -7.329 5.796 1.00 0.00 C ATOM 558 CD2 PHE A 36 -3.226 -5.409 4.391 1.00 0.00 C ATOM 559 CE1 PHE A 36 -3.261 -8.183 4.766 1.00 0.00 C ATOM 560 CE2 PHE A 36 -2.746 -6.260 3.380 1.00 0.00 C ATOM 561 CZ PHE A 36 -2.776 -7.650 3.562 1.00 0.00 C ATOM 0 H PHE A 36 -5.366 -3.654 8.343 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.706 -6.372 8.246 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.253 -4.720 6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.647 -4.048 6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.024 -7.746 6.735 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.236 -4.341 4.230 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.303 -9.254 4.902 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.354 -5.843 2.464 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.427 -8.307 2.779 1.00 0.00 H new ATOM 571 N TRP A 37 -2.246 -4.540 9.318 1.00 0.00 N ATOM 572 CA TRP A 37 -0.884 -4.557 9.827 1.00 0.00 C ATOM 573 C TRP A 37 -0.782 -5.338 11.129 1.00 0.00 C ATOM 574 O TRP A 37 0.242 -5.985 11.347 1.00 0.00 O ATOM 575 CB TRP A 37 -0.418 -3.119 10.047 1.00 0.00 C ATOM 576 CG TRP A 37 -0.742 -2.191 8.922 1.00 0.00 C ATOM 577 CD1 TRP A 37 -0.739 -2.506 7.610 1.00 0.00 C ATOM 578 CD2 TRP A 37 -1.220 -0.826 8.998 1.00 0.00 C ATOM 579 NE1 TRP A 37 -1.183 -1.434 6.869 1.00 0.00 N ATOM 580 CE2 TRP A 37 -1.497 -0.365 7.679 1.00 0.00 C ATOM 581 CE3 TRP A 37 -1.456 0.062 10.064 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -1.966 0.930 7.429 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -1.893 1.372 9.829 1.00 0.00 C ATOM 584 CH2 TRP A 37 -2.126 1.812 8.517 1.00 0.00 C ATOM 0 H TRP A 37 -2.741 -3.667 9.498 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.247 -5.053 9.094 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.874 -2.737 10.961 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.661 -3.119 10.204 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.434 -3.458 7.202 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.268 -1.432 5.853 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.298 -0.272 11.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.200 1.247 6.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.051 2.045 10.659 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.430 2.833 8.340 1.00 0.00 H new ATOM 595 N LYS A 38 -1.813 -5.258 11.976 1.00 0.00 N ATOM 596 CA LYS A 38 -1.835 -5.791 13.332 1.00 0.00 C ATOM 597 C LYS A 38 -1.565 -7.284 13.252 1.00 0.00 C ATOM 598 O LYS A 38 -2.287 -8.006 12.574 1.00 0.00 O ATOM 599 CB LYS A 38 -3.189 -5.467 13.995 1.00 0.00 C ATOM 600 CG LYS A 38 -3.291 -3.958 14.272 1.00 0.00 C ATOM 601 CD LYS A 38 -4.690 -3.536 14.748 1.00 0.00 C ATOM 602 CE LYS A 38 -4.577 -2.424 15.788 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.328 -2.975 17.130 1.00 0.00 N ATOM 0 H LYS A 38 -2.688 -4.801 11.720 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.065 -5.334 13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.006 -5.782 13.346 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.290 -6.024 14.927 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.556 -3.681 15.027 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.039 -3.408 13.365 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.283 -3.193 13.900 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.211 -4.393 15.175 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.768 -1.747 15.514 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.495 -1.836 15.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.256 -2.197 17.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.113 -3.602 17.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.439 -3.515 17.124 1.00 0.00 H new ATOM 617 N GLU A 39 -0.491 -7.749 13.878 1.00 0.00 N ATOM 618 CA GLU A 39 -0.027 -9.108 13.673 1.00 0.00 C ATOM 619 C GLU A 39 -1.035 -10.114 14.226 1.00 0.00 C ATOM 620 O GLU A 39 -1.849 -9.803 15.111 1.00 0.00 O ATOM 621 CB GLU A 39 1.367 -9.324 14.289 1.00 0.00 C ATOM 622 CG GLU A 39 2.474 -8.594 13.514 1.00 0.00 C ATOM 623 CD GLU A 39 2.738 -7.144 13.959 1.00 0.00 C ATOM 624 OE1 GLU A 39 1.879 -6.531 14.633 1.00 0.00 O ATOM 625 OE2 GLU A 39 3.845 -6.624 13.667 1.00 0.00 O ATOM 0 H GLU A 39 0.072 -7.203 14.530 1.00 0.00 H new ATOM 0 HA GLU A 39 0.061 -9.272 12.599 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.362 -8.976 15.322 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.588 -10.391 14.313 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.399 -9.162 13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.213 -8.591 12.456 1.00 0.00 H new ATOM 632 N GLY A 40 -0.950 -11.338 13.708 1.00 0.00 N ATOM 633 CA GLY A 40 -1.764 -12.490 14.105 1.00 0.00 C ATOM 634 C GLY A 40 -3.253 -12.374 13.744 1.00 0.00 C ATOM 635 O GLY A 40 -3.999 -13.350 13.849 1.00 0.00 O ATOM 0 H GLY A 40 -0.285 -11.566 12.969 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.358 -13.385 13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.674 -12.628 15.182 1.00 0.00 H new ATOM 639 N TYR A 41 -3.717 -11.201 13.325 1.00 0.00 N ATOM 640 CA TYR A 41 -4.957 -10.941 12.628 1.00 0.00 C ATOM 641 C TYR A 41 -4.790 -11.595 11.250 1.00 0.00 C ATOM 642 O TYR A 41 -3.699 -11.577 10.673 1.00 0.00 O ATOM 643 CB TYR A 41 -5.040 -9.404 12.530 1.00 0.00 C ATOM 644 CG TYR A 41 -6.349 -8.673 12.772 1.00 0.00 C ATOM 645 CD1 TYR A 41 -7.494 -8.875 11.981 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.342 -7.641 13.726 1.00 0.00 C ATOM 647 CE1 TYR A 41 -8.626 -8.050 12.155 1.00 0.00 C ATOM 648 CE2 TYR A 41 -7.454 -6.807 13.901 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.613 -7.013 13.118 1.00 0.00 C ATOM 650 OH TYR A 41 -9.704 -6.207 13.249 1.00 0.00 O ATOM 0 H TYR A 41 -3.187 -10.343 13.480 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.859 -11.327 13.102 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.314 -9.000 13.235 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.701 -9.129 11.531 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -7.507 -9.661 11.241 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.463 -7.488 14.335 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.506 -8.211 11.550 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.426 -6.011 14.630 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.539 -5.545 13.953 1.00 0.00 H new ATOM 660 N GLU A 42 -5.840 -12.185 10.690 1.00 0.00 N ATOM 661 CA GLU A 42 -5.859 -12.653 9.317 1.00 0.00 C ATOM 662 C GLU A 42 -6.989 -11.950 8.572 1.00 0.00 C ATOM 663 O GLU A 42 -8.175 -12.232 8.773 1.00 0.00 O ATOM 664 CB GLU A 42 -5.914 -14.183 9.256 1.00 0.00 C ATOM 665 CG GLU A 42 -5.620 -14.568 7.807 1.00 0.00 C ATOM 666 CD GLU A 42 -5.317 -16.051 7.587 1.00 0.00 C ATOM 667 OE1 GLU A 42 -4.538 -16.645 8.353 1.00 0.00 O ATOM 668 OE2 GLU A 42 -5.797 -16.624 6.575 1.00 0.00 O ATOM 0 H GLU A 42 -6.714 -12.352 11.189 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.931 -12.392 8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.182 -14.625 9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.893 -14.549 9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.476 -14.291 7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.771 -13.982 7.455 1.00 0.00 H new ATOM 675 N ILE A 43 -6.604 -10.955 7.781 1.00 0.00 N ATOM 676 CA ILE A 43 -7.471 -10.147 6.958 1.00 0.00 C ATOM 677 C ILE A 43 -7.413 -10.797 5.575 1.00 0.00 C ATOM 678 O ILE A 43 -6.406 -10.666 4.877 1.00 0.00 O ATOM 679 CB ILE A 43 -7.011 -8.685 6.958 1.00 0.00 C ATOM 680 CG1 ILE A 43 -6.998 -8.089 8.377 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.987 -7.854 6.116 1.00 0.00 C ATOM 682 CD1 ILE A 43 -5.776 -8.433 9.234 1.00 0.00 C ATOM 0 H ILE A 43 -5.625 -10.683 7.698 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.497 -10.113 7.323 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.000 -8.658 6.552 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.067 -7.004 8.296 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.892 -8.427 8.901 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.667 -6.812 6.111 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.001 -8.234 5.095 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.987 -7.924 6.543 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.873 -7.961 10.212 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.711 -9.514 9.358 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.873 -8.069 8.743 1.00 0.00 H new ATOM 694 N LYS A 44 -8.451 -11.537 5.189 1.00 0.00 N ATOM 695 CA LYS A 44 -8.551 -12.197 3.897 1.00 0.00 C ATOM 696 C LYS A 44 -9.789 -11.764 3.117 1.00 0.00 C ATOM 697 O LYS A 44 -10.147 -12.405 2.123 1.00 0.00 O ATOM 698 CB LYS A 44 -8.430 -13.700 4.073 1.00 0.00 C ATOM 699 CG LYS A 44 -9.605 -14.316 4.826 1.00 0.00 C ATOM 700 CD LYS A 44 -9.621 -15.835 4.652 1.00 0.00 C ATOM 701 CE LYS A 44 -8.383 -16.404 5.341 1.00 0.00 C ATOM 702 NZ LYS A 44 -8.264 -17.866 5.203 1.00 0.00 N ATOM 0 H LYS A 44 -9.264 -11.696 5.784 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.715 -11.878 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.350 -14.168 3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.507 -13.923 4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.536 -14.067 5.885 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.540 -13.893 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.527 -16.258 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.622 -16.097 3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.493 -15.932 4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.413 -16.146 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.405 -18.192 5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.097 -18.324 5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.206 -18.116 4.195 1.00 0.00 H new ATOM 716 N ASN A 45 -10.497 -10.741 3.599 1.00 0.00 N ATOM 717 CA ASN A 45 -11.661 -10.242 2.894 1.00 0.00 C ATOM 718 C ASN A 45 -11.222 -9.445 1.662 1.00 0.00 C ATOM 719 O ASN A 45 -10.086 -8.994 1.527 1.00 0.00 O ATOM 720 CB ASN A 45 -12.609 -9.443 3.802 1.00 0.00 C ATOM 721 CG ASN A 45 -13.869 -9.117 3.008 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.517 -10.023 2.494 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.139 -7.870 2.683 1.00 0.00 N ATOM 0 H ASN A 45 -10.281 -10.251 4.467 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.244 -11.100 2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.859 -10.021 4.692 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.127 -8.527 4.142 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.879 -7.667 2.011 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.608 -7.107 3.103 1.00 0.00 H new ATOM 730 N ARG A 46 -12.154 -9.297 0.731 1.00 0.00 N ATOM 731 CA ARG A 46 -11.958 -8.807 -0.621 1.00 0.00 C ATOM 732 C ARG A 46 -11.681 -7.316 -0.601 1.00 0.00 C ATOM 733 O ARG A 46 -10.872 -6.832 -1.386 1.00 0.00 O ATOM 734 CB ARG A 46 -13.208 -9.091 -1.473 1.00 0.00 C ATOM 735 CG ARG A 46 -13.864 -10.434 -1.156 1.00 0.00 C ATOM 736 CD ARG A 46 -15.241 -10.522 -1.790 1.00 0.00 C ATOM 737 NE ARG A 46 -15.645 -11.929 -1.849 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.867 -12.390 -2.133 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.841 -11.551 -2.479 1.00 0.00 N ATOM 740 NH2 ARG A 46 -17.119 -13.690 -2.040 1.00 0.00 N ATOM 0 H ARG A 46 -13.129 -9.532 0.915 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.103 -9.322 -1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.935 -8.294 -1.316 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.933 -9.069 -2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.237 -11.246 -1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.947 -10.558 -0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.962 -9.947 -1.209 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.223 -10.092 -2.791 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.924 -12.624 -1.655 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.657 -10.549 -2.529 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.771 -11.910 -2.694 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.381 -14.333 -1.753 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.050 -14.046 -2.256 1.00 0.00 H new ATOM 754 N GLU A 47 -12.373 -6.576 0.265 1.00 0.00 N ATOM 755 CA GLU A 47 -12.358 -5.119 0.259 1.00 0.00 C ATOM 756 C GLU A 47 -11.030 -4.572 0.778 1.00 0.00 C ATOM 757 O GLU A 47 -10.685 -3.440 0.446 1.00 0.00 O ATOM 758 CB GLU A 47 -13.555 -4.562 1.043 1.00 0.00 C ATOM 759 CG GLU A 47 -14.856 -4.888 0.296 1.00 0.00 C ATOM 760 CD GLU A 47 -16.095 -4.454 1.075 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.362 -3.241 1.141 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.807 -5.368 1.578 1.00 0.00 O ATOM 0 H GLU A 47 -12.963 -6.977 0.994 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.454 -4.782 -0.773 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.580 -4.994 2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.454 -3.483 1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.848 -4.393 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -14.905 -5.960 0.107 1.00 0.00 H new ATOM 769 N THR A 48 -10.250 -5.365 1.513 1.00 0.00 N ATOM 770 CA THR A 48 -8.854 -5.087 1.831 1.00 0.00 C ATOM 771 C THR A 48 -8.081 -4.983 0.522 1.00 0.00 C ATOM 772 O THR A 48 -7.469 -3.958 0.229 1.00 0.00 O ATOM 773 CB THR A 48 -8.306 -6.194 2.748 1.00 0.00 C ATOM 774 OG1 THR A 48 -9.292 -6.547 3.704 1.00 0.00 O ATOM 775 CG2 THR A 48 -6.980 -5.812 3.416 1.00 0.00 C ATOM 0 H THR A 48 -10.583 -6.242 1.913 1.00 0.00 H new ATOM 0 HA THR A 48 -8.749 -4.145 2.369 1.00 0.00 H new ATOM 0 HB THR A 48 -8.081 -7.062 2.128 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.518 -7.495 3.606 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.643 -6.632 4.050 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.230 -5.614 2.650 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.123 -4.918 4.023 1.00 0.00 H new ATOM 783 N GLY A 49 -8.209 -6.021 -0.305 1.00 0.00 N ATOM 784 CA GLY A 49 -7.745 -6.061 -1.674 1.00 0.00 C ATOM 785 C GLY A 49 -8.211 -4.843 -2.442 1.00 0.00 C ATOM 786 O GLY A 49 -7.372 -4.113 -2.945 1.00 0.00 O ATOM 0 H GLY A 49 -8.660 -6.890 -0.017 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.656 -6.111 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.113 -6.964 -2.160 1.00 0.00 H new ATOM 790 N CYS A 50 -9.521 -4.599 -2.522 1.00 0.00 N ATOM 791 CA CYS A 50 -10.064 -3.480 -3.281 1.00 0.00 C ATOM 792 C CYS A 50 -9.511 -2.134 -2.811 1.00 0.00 C ATOM 793 O CYS A 50 -9.284 -1.256 -3.638 1.00 0.00 O ATOM 794 CB CYS A 50 -11.586 -3.433 -3.177 1.00 0.00 C ATOM 795 SG CYS A 50 -12.522 -4.905 -3.684 1.00 0.00 S ATOM 0 H CYS A 50 -10.229 -5.172 -2.063 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.761 -3.645 -4.315 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.843 -3.215 -2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.936 -2.592 -3.776 1.00 0.00 H new ATOM 800 N ALA A 51 -9.301 -1.943 -1.504 1.00 0.00 N ATOM 801 CA ALA A 51 -8.728 -0.710 -0.989 1.00 0.00 C ATOM 802 C ALA A 51 -7.291 -0.571 -1.474 1.00 0.00 C ATOM 803 O ALA A 51 -6.972 0.451 -2.062 1.00 0.00 O ATOM 804 CB ALA A 51 -8.819 -0.634 0.539 1.00 0.00 C ATOM 0 H ALA A 51 -9.523 -2.634 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.309 0.128 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.380 0.302 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.865 -0.678 0.844 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.277 -1.472 0.978 1.00 0.00 H new ATOM 810 N ILE A 52 -6.437 -1.576 -1.268 1.00 0.00 N ATOM 811 CA ILE A 52 -5.043 -1.601 -1.727 1.00 0.00 C ATOM 812 C ILE A 52 -5.003 -1.338 -3.242 1.00 0.00 C ATOM 813 O ILE A 52 -4.309 -0.452 -3.724 1.00 0.00 O ATOM 814 CB ILE A 52 -4.416 -2.953 -1.315 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.354 -3.046 0.224 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.004 -3.148 -1.890 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.128 -4.468 0.723 1.00 0.00 C ATOM 0 H ILE A 52 -6.703 -2.421 -0.762 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.449 -0.814 -1.262 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.050 -3.740 -1.724 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.551 -2.406 0.590 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.284 -2.662 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.611 -4.113 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.047 -3.117 -2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.351 -2.353 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.094 -4.470 1.812 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.944 -5.106 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.184 -4.846 0.329 1.00 0.00 H new ATOM 829 N MET A 53 -5.815 -2.066 -3.993 1.00 0.00 N ATOM 830 CA MET A 53 -5.952 -2.008 -5.435 1.00 0.00 C ATOM 831 C MET A 53 -6.326 -0.592 -5.894 1.00 0.00 C ATOM 832 O MET A 53 -5.589 0.032 -6.647 1.00 0.00 O ATOM 833 CB MET A 53 -6.982 -3.094 -5.775 1.00 0.00 C ATOM 834 CG MET A 53 -7.207 -3.444 -7.224 1.00 0.00 C ATOM 835 SD MET A 53 -8.966 -3.680 -7.573 1.00 0.00 S ATOM 836 CE MET A 53 -9.474 -1.983 -7.231 1.00 0.00 C ATOM 0 H MET A 53 -6.438 -2.760 -3.579 1.00 0.00 H new ATOM 0 HA MET A 53 -5.024 -2.206 -5.971 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.686 -4.006 -5.256 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.940 -2.785 -5.356 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.811 -2.651 -7.858 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.659 -4.353 -7.471 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.292 -1.707 -7.896 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.806 -1.904 -6.196 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.631 -1.311 -7.394 1.00 0.00 H new ATOM 846 N CYS A 54 -7.423 -0.021 -5.391 1.00 0.00 N ATOM 847 CA CYS A 54 -7.843 1.337 -5.732 1.00 0.00 C ATOM 848 C CYS A 54 -6.801 2.358 -5.264 1.00 0.00 C ATOM 849 O CYS A 54 -6.562 3.373 -5.917 1.00 0.00 O ATOM 850 CB CYS A 54 -9.221 1.614 -5.113 1.00 0.00 C ATOM 851 SG CYS A 54 -9.770 3.342 -5.211 1.00 0.00 S ATOM 0 H CYS A 54 -8.046 -0.490 -4.734 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.924 1.432 -6.815 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.959 0.985 -5.610 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.200 1.314 -4.065 1.00 0.00 H new ATOM 856 N LEU A 55 -6.150 2.119 -4.128 1.00 0.00 N ATOM 857 CA LEU A 55 -5.103 3.006 -3.641 1.00 0.00 C ATOM 858 C LEU A 55 -3.891 3.042 -4.569 1.00 0.00 C ATOM 859 O LEU A 55 -3.137 4.015 -4.515 1.00 0.00 O ATOM 860 CB LEU A 55 -4.672 2.617 -2.224 1.00 0.00 C ATOM 861 CG LEU A 55 -5.606 3.099 -1.108 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.170 2.440 0.202 1.00 0.00 C ATOM 863 CD2 LEU A 55 -5.544 4.617 -0.972 1.00 0.00 C ATOM 0 H LEU A 55 -6.332 1.315 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.529 4.009 -3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.595 1.531 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.675 3.017 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.633 2.824 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.823 2.770 1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.234 1.356 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.142 2.723 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.214 4.939 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.524 4.920 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.849 5.079 -1.911 1.00 0.00 H new ATOM 875 N SER A 56 -3.713 2.056 -5.452 1.00 0.00 N ATOM 876 CA SER A 56 -2.608 2.048 -6.397 1.00 0.00 C ATOM 877 C SER A 56 -2.740 3.185 -7.438 1.00 0.00 C ATOM 878 O SER A 56 -1.792 3.506 -8.158 1.00 0.00 O ATOM 879 CB SER A 56 -2.444 0.620 -6.953 1.00 0.00 C ATOM 880 OG SER A 56 -3.001 0.374 -8.218 1.00 0.00 O ATOM 0 H SER A 56 -4.331 1.248 -5.527 1.00 0.00 H new ATOM 0 HA SER A 56 -1.664 2.286 -5.907 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.379 0.391 -6.998 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.889 -0.076 -6.242 1.00 0.00 H new ATOM 0 HG SER A 56 -3.956 0.178 -8.122 1.00 0.00 H new ATOM 886 N THR A 57 -3.886 3.884 -7.464 1.00 0.00 N ATOM 887 CA THR A 57 -4.164 5.049 -8.307 1.00 0.00 C ATOM 888 C THR A 57 -4.499 6.254 -7.417 1.00 0.00 C ATOM 889 O THR A 57 -5.354 7.087 -7.729 1.00 0.00 O ATOM 890 CB THR A 57 -5.209 4.652 -9.372 1.00 0.00 C ATOM 891 OG1 THR A 57 -5.494 5.669 -10.314 1.00 0.00 O ATOM 892 CG2 THR A 57 -6.547 4.200 -8.781 1.00 0.00 C ATOM 0 H THR A 57 -4.677 3.638 -6.869 1.00 0.00 H new ATOM 0 HA THR A 57 -3.297 5.378 -8.880 1.00 0.00 H new ATOM 0 HB THR A 57 -4.720 3.818 -9.875 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.579 6.529 -9.851 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.231 3.937 -9.588 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.388 3.331 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.976 5.010 -8.191 1.00 0.00 H new ATOM 900 N LYS A 58 -3.879 6.325 -6.235 1.00 0.00 N ATOM 901 CA LYS A 58 -4.103 7.388 -5.254 1.00 0.00 C ATOM 902 C LYS A 58 -2.798 7.923 -4.690 1.00 0.00 C ATOM 903 O LYS A 58 -2.826 8.578 -3.649 1.00 0.00 O ATOM 904 CB LYS A 58 -5.015 6.882 -4.122 1.00 0.00 C ATOM 905 CG LYS A 58 -6.424 6.517 -4.589 1.00 0.00 C ATOM 906 CD LYS A 58 -7.277 7.731 -4.858 1.00 0.00 C ATOM 907 CE LYS A 58 -8.427 7.297 -5.758 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.078 7.493 -7.181 1.00 0.00 N ATOM 0 H LYS A 58 -3.196 5.632 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.596 8.214 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.556 6.008 -3.660 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.084 7.650 -3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.358 5.915 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.906 5.899 -3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.657 8.146 -3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.689 8.513 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.661 6.248 -5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.322 7.870 -5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.598 6.806 -7.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.334 8.458 -7.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.056 7.353 -7.310 1.00 0.00 H new ATOM 922 N LEU A 59 -1.659 7.674 -5.331 1.00 0.00 N ATOM 923 CA LEU A 59 -0.364 8.155 -4.858 1.00 0.00 C ATOM 924 C LEU A 59 -0.407 9.673 -4.697 1.00 0.00 C ATOM 925 O LEU A 59 0.142 10.183 -3.731 1.00 0.00 O ATOM 926 CB LEU A 59 0.774 7.752 -5.821 1.00 0.00 C ATOM 927 CG LEU A 59 0.690 6.357 -6.480 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.889 6.140 -7.408 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.639 5.203 -5.477 1.00 0.00 C ATOM 0 H LEU A 59 -1.608 7.132 -6.194 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.160 7.692 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.822 8.497 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.714 7.809 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.248 6.349 -7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.820 5.154 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.890 6.903 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.812 6.208 -6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.581 4.256 -6.014 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.538 5.216 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.239 5.313 -4.840 1.00 0.00 H new ATOM 941 N ASN A 60 -1.143 10.382 -5.556 1.00 0.00 N ATOM 942 CA ASN A 60 -1.356 11.823 -5.480 1.00 0.00 C ATOM 943 C ASN A 60 -2.117 12.261 -4.230 1.00 0.00 C ATOM 944 O ASN A 60 -1.871 13.342 -3.694 1.00 0.00 O ATOM 945 CB ASN A 60 -2.104 12.302 -6.733 1.00 0.00 C ATOM 946 CG ASN A 60 -3.540 11.792 -6.827 1.00 0.00 C ATOM 947 OD1 ASN A 60 -3.828 10.646 -6.492 1.00 0.00 O ATOM 948 ND2 ASN A 60 -4.455 12.618 -7.293 1.00 0.00 N ATOM 0 H ASN A 60 -1.621 9.952 -6.348 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.369 12.281 -5.422 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.114 13.392 -6.744 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.555 11.979 -7.618 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.423 12.309 -7.381 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.195 13.566 -7.566 1.00 0.00 H new ATOM 955 N MET A 61 -3.040 11.438 -3.744 1.00 0.00 N ATOM 956 CA MET A 61 -3.811 11.691 -2.535 1.00 0.00 C ATOM 957 C MET A 61 -2.993 11.369 -1.286 1.00 0.00 C ATOM 958 O MET A 61 -3.349 11.838 -0.203 1.00 0.00 O ATOM 959 CB MET A 61 -5.079 10.833 -2.554 1.00 0.00 C ATOM 960 CG MET A 61 -6.015 11.214 -3.703 1.00 0.00 C ATOM 961 SD MET A 61 -6.852 12.818 -3.526 1.00 0.00 S ATOM 962 CE MET A 61 -7.694 12.567 -1.938 1.00 0.00 C ATOM 0 H MET A 61 -3.278 10.554 -4.193 1.00 0.00 H new ATOM 0 HA MET A 61 -4.076 12.748 -2.507 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.804 9.782 -2.645 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.606 10.944 -1.606 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.441 11.223 -4.629 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.773 10.437 -3.805 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.577 13.204 -1.890 1.00 0.00 H new ATOM 0 HE2 MET A 61 -7.994 11.523 -1.846 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.017 12.823 -1.123 1.00 0.00 H new ATOM 972 N LEU A 62 -1.930 10.568 -1.413 1.00 0.00 N ATOM 973 CA LEU A 62 -0.997 10.247 -0.347 1.00 0.00 C ATOM 974 C LEU A 62 0.085 11.316 -0.299 1.00 0.00 C ATOM 975 O LEU A 62 0.143 12.079 0.666 1.00 0.00 O ATOM 976 CB LEU A 62 -0.441 8.829 -0.578 1.00 0.00 C ATOM 977 CG LEU A 62 -1.545 7.770 -0.678 1.00 0.00 C ATOM 978 CD1 LEU A 62 -1.022 6.468 -1.246 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.206 7.496 0.666 1.00 0.00 C ATOM 0 H LEU A 62 -1.694 10.113 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.488 10.244 0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.150 8.820 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.233 8.570 0.239 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.292 8.183 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.834 5.743 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.622 6.641 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.233 6.081 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.981 6.739 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.458 7.138 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.653 8.415 1.046 1.00 0.00 H new ATOM 991 N ASP A 63 0.891 11.391 -1.356 1.00 0.00 N ATOM 992 CA ASP A 63 2.005 12.325 -1.520 1.00 0.00 C ATOM 993 C ASP A 63 1.585 13.460 -2.461 1.00 0.00 C ATOM 994 O ASP A 63 1.465 13.255 -3.674 1.00 0.00 O ATOM 995 CB ASP A 63 3.278 11.659 -2.065 1.00 0.00 C ATOM 996 CG ASP A 63 4.401 12.705 -2.105 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.718 13.275 -1.034 1.00 0.00 O ATOM 998 OD2 ASP A 63 4.920 12.996 -3.201 1.00 0.00 O ATOM 0 H ASP A 63 0.781 10.773 -2.160 1.00 0.00 H new ATOM 0 HA ASP A 63 2.245 12.709 -0.528 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.566 10.819 -1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.098 11.259 -3.063 1.00 0.00 H new ATOM 1003 N PRO A 64 1.304 14.671 -1.948 1.00 0.00 N ATOM 1004 CA PRO A 64 0.931 15.789 -2.807 1.00 0.00 C ATOM 1005 C PRO A 64 2.102 16.261 -3.661 1.00 0.00 C ATOM 1006 O PRO A 64 1.898 16.814 -4.739 1.00 0.00 O ATOM 1007 CB PRO A 64 0.501 16.908 -1.861 1.00 0.00 C ATOM 1008 CG PRO A 64 1.213 16.603 -0.545 1.00 0.00 C ATOM 1009 CD PRO A 64 1.446 15.094 -0.562 1.00 0.00 C ATOM 0 HA PRO A 64 0.140 15.495 -3.497 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.788 17.885 -2.249 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.581 16.922 -1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.155 17.147 -0.471 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.605 16.899 0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.438 14.850 -0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.725 14.583 0.076 1.00 0.00 H new ATOM 1017 N GLU A 65 3.319 16.059 -3.172 1.00 0.00 N ATOM 1018 CA GLU A 65 4.534 16.604 -3.749 1.00 0.00 C ATOM 1019 C GLU A 65 4.919 15.881 -5.049 1.00 0.00 C ATOM 1020 O GLU A 65 5.774 16.359 -5.794 1.00 0.00 O ATOM 1021 CB GLU A 65 5.641 16.580 -2.688 1.00 0.00 C ATOM 1022 CG GLU A 65 5.183 17.372 -1.452 1.00 0.00 C ATOM 1023 CD GLU A 65 6.289 17.778 -0.484 1.00 0.00 C ATOM 1024 OE1 GLU A 65 7.292 18.384 -0.930 1.00 0.00 O ATOM 1025 OE2 GLU A 65 6.089 17.640 0.746 1.00 0.00 O ATOM 0 H GLU A 65 3.489 15.495 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 65 4.371 17.641 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.871 15.551 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.556 17.013 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.671 18.273 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.451 16.773 -0.909 1.00 0.00 H new ATOM 1032 N GLY A 66 4.257 14.765 -5.364 1.00 0.00 N ATOM 1033 CA GLY A 66 4.415 14.030 -6.609 1.00 0.00 C ATOM 1034 C GLY A 66 5.717 13.242 -6.702 1.00 0.00 C ATOM 1035 O GLY A 66 6.128 12.904 -7.805 1.00 0.00 O ATOM 0 H GLY A 66 3.576 14.339 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.577 13.342 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.366 14.731 -7.442 1.00 0.00 H new ATOM 1039 N ASN A 67 6.365 12.948 -5.574 1.00 0.00 N ATOM 1040 CA ASN A 67 7.603 12.176 -5.517 1.00 0.00 C ATOM 1041 C ASN A 67 7.336 10.719 -5.859 1.00 0.00 C ATOM 1042 O ASN A 67 8.166 10.043 -6.470 1.00 0.00 O ATOM 1043 CB ASN A 67 8.197 12.224 -4.105 1.00 0.00 C ATOM 1044 CG ASN A 67 8.859 13.558 -3.853 1.00 0.00 C ATOM 1045 OD1 ASN A 67 10.062 13.718 -3.990 1.00 0.00 O ATOM 1046 ND2 ASN A 67 8.069 14.543 -3.488 1.00 0.00 N ATOM 0 H ASN A 67 6.035 13.247 -4.656 1.00 0.00 H new ATOM 0 HA ASN A 67 8.298 12.611 -6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.411 12.057 -3.368 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.925 11.422 -3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.457 15.470 -3.312 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.068 14.381 -3.381 1.00 0.00 H new ATOM 1053 N LEU A 68 6.202 10.216 -5.372 1.00 0.00 N ATOM 1054 CA LEU A 68 5.829 8.818 -5.424 1.00 0.00 C ATOM 1055 C LEU A 68 5.229 8.515 -6.795 1.00 0.00 C ATOM 1056 O LEU A 68 4.031 8.708 -7.015 1.00 0.00 O ATOM 1057 CB LEU A 68 4.886 8.544 -4.243 1.00 0.00 C ATOM 1058 CG LEU A 68 4.465 7.075 -4.066 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.624 6.086 -4.189 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.826 6.936 -2.682 1.00 0.00 C ATOM 0 H LEU A 68 5.499 10.798 -4.916 1.00 0.00 H new ATOM 0 HA LEU A 68 6.682 8.148 -5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.372 8.879 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.988 9.150 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 68 3.769 6.829 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.252 5.071 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.077 6.177 -5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.371 6.304 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.516 5.903 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.550 7.217 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.956 7.589 -2.616 1.00 0.00 H new ATOM 1072 N HIS A 69 6.074 8.100 -7.738 1.00 0.00 N ATOM 1073 CA HIS A 69 5.663 7.692 -9.074 1.00 0.00 C ATOM 1074 C HIS A 69 5.481 6.186 -9.114 1.00 0.00 C ATOM 1075 O HIS A 69 6.060 5.433 -8.331 1.00 0.00 O ATOM 1076 CB HIS A 69 6.729 8.076 -10.095 1.00 0.00 C ATOM 1077 CG HIS A 69 6.911 9.563 -10.236 1.00 0.00 C ATOM 1078 ND1 HIS A 69 5.958 10.469 -10.639 1.00 0.00 N ATOM 1079 CD2 HIS A 69 8.037 10.263 -9.904 1.00 0.00 C ATOM 1080 CE1 HIS A 69 6.504 11.693 -10.547 1.00 0.00 C ATOM 1081 NE2 HIS A 69 7.779 11.617 -10.127 1.00 0.00 N ATOM 0 H HIS A 69 7.081 8.038 -7.589 1.00 0.00 H new ATOM 0 HA HIS A 69 4.726 8.193 -9.315 1.00 0.00 H new ATOM 0 HB2 HIS A 69 7.679 7.627 -9.805 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.461 7.656 -11.065 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.961 9.844 -9.535 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.989 12.613 -10.779 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.428 12.393 -9.997 1.00 0.00 H new ATOM 1089 N HIS A 70 4.718 5.766 -10.108 1.00 0.00 N ATOM 1090 CA HIS A 70 4.303 4.390 -10.320 1.00 0.00 C ATOM 1091 C HIS A 70 5.502 3.615 -10.871 1.00 0.00 C ATOM 1092 O HIS A 70 6.078 4.013 -11.889 1.00 0.00 O ATOM 1093 CB HIS A 70 3.086 4.350 -11.250 1.00 0.00 C ATOM 1094 CG HIS A 70 2.227 3.105 -11.189 1.00 0.00 C ATOM 1095 ND1 HIS A 70 2.497 1.843 -11.687 1.00 0.00 N ATOM 1096 CD2 HIS A 70 0.985 3.052 -10.619 1.00 0.00 C ATOM 1097 CE1 HIS A 70 1.442 1.058 -11.399 1.00 0.00 C ATOM 1098 NE2 HIS A 70 0.474 1.764 -10.794 1.00 0.00 N ATOM 0 H HIS A 70 4.356 6.401 -10.819 1.00 0.00 H new ATOM 0 HA HIS A 70 3.991 3.919 -9.388 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.456 5.210 -11.024 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.436 4.472 -12.275 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.484 3.868 -10.119 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.383 0.003 -11.624 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.449 1.428 -10.518 1.00 0.00 H new ATOM 1106 N GLY A 71 5.930 2.565 -10.181 1.00 0.00 N ATOM 1107 CA GLY A 71 7.122 1.791 -10.480 1.00 0.00 C ATOM 1108 C GLY A 71 8.400 2.586 -10.252 1.00 0.00 C ATOM 1109 O GLY A 71 9.471 2.132 -10.633 1.00 0.00 O ATOM 0 H GLY A 71 5.432 2.217 -9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.137 0.897 -9.857 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.085 1.457 -11.517 1.00 0.00 H new ATOM 1113 N ASN A 72 8.318 3.788 -9.671 1.00 0.00 N ATOM 1114 CA ASN A 72 9.470 4.627 -9.386 1.00 0.00 C ATOM 1115 C ASN A 72 9.216 5.327 -8.060 1.00 0.00 C ATOM 1116 O ASN A 72 9.064 6.550 -7.977 1.00 0.00 O ATOM 1117 CB ASN A 72 9.745 5.615 -10.526 1.00 0.00 C ATOM 1118 CG ASN A 72 11.046 6.384 -10.300 1.00 0.00 C ATOM 1119 OD1 ASN A 72 11.775 6.186 -9.327 1.00 0.00 O ATOM 1120 ND2 ASN A 72 11.327 7.335 -11.166 1.00 0.00 N ATOM 0 H ASN A 72 7.432 4.205 -9.384 1.00 0.00 H new ATOM 0 HA ASN A 72 10.371 4.018 -9.308 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.800 5.075 -11.471 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.916 6.317 -10.608 1.00 0.00 H new ATOM 0 HD21 ASN A 72 12.155 7.916 -11.035 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.717 7.491 -11.968 1.00 0.00 H new ATOM 1127 N ALA A 73 9.156 4.535 -6.998 1.00 0.00 N ATOM 1128 CA ALA A 73 8.931 5.017 -5.649 1.00 0.00 C ATOM 1129 C ALA A 73 10.253 5.309 -4.921 1.00 0.00 C ATOM 1130 O ALA A 73 10.220 5.686 -3.755 1.00 0.00 O ATOM 1131 CB ALA A 73 8.085 3.967 -4.923 1.00 0.00 C ATOM 0 H ALA A 73 9.265 3.522 -7.055 1.00 0.00 H new ATOM 0 HA ALA A 73 8.399 5.968 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.895 4.296 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.137 3.839 -5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.620 3.018 -4.905 1.00 0.00 H new ATOM 1137 N MET A 74 11.417 5.200 -5.576 1.00 0.00 N ATOM 1138 CA MET A 74 12.694 5.032 -4.897 1.00 0.00 C ATOM 1139 C MET A 74 13.134 6.335 -4.246 1.00 0.00 C ATOM 1140 O MET A 74 13.708 6.334 -3.162 1.00 0.00 O ATOM 1141 CB MET A 74 13.767 4.619 -5.912 1.00 0.00 C ATOM 1142 CG MET A 74 13.561 3.222 -6.494 1.00 0.00 C ATOM 1143 SD MET A 74 15.005 2.664 -7.435 1.00 0.00 S ATOM 1144 CE MET A 74 14.650 0.891 -7.500 1.00 0.00 C ATOM 0 H MET A 74 11.492 5.227 -6.593 1.00 0.00 H new ATOM 0 HA MET A 74 12.572 4.265 -4.132 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.781 5.343 -6.727 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.744 4.661 -5.431 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.360 2.518 -5.686 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.684 3.224 -7.141 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.442 0.381 -8.048 1.00 0.00 H new ATOM 0 HE2 MET A 74 14.596 0.493 -6.487 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.698 0.729 -8.005 1.00 0.00 H new ATOM 1154 N GLU A 75 12.898 7.464 -4.913 1.00 0.00 N ATOM 1155 CA GLU A 75 13.314 8.757 -4.379 1.00 0.00 C ATOM 1156 C GLU A 75 12.401 9.187 -3.237 1.00 0.00 C ATOM 1157 O GLU A 75 12.872 9.842 -2.310 1.00 0.00 O ATOM 1158 CB GLU A 75 13.310 9.814 -5.482 1.00 0.00 C ATOM 1159 CG GLU A 75 14.462 9.669 -6.482 1.00 0.00 C ATOM 1160 CD GLU A 75 15.840 9.905 -5.858 1.00 0.00 C ATOM 1161 OE1 GLU A 75 16.403 8.953 -5.281 1.00 0.00 O ATOM 1162 OE2 GLU A 75 16.424 10.999 -6.040 1.00 0.00 O ATOM 0 H GLU A 75 12.425 7.509 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 75 14.328 8.656 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.364 9.759 -6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 75 13.360 10.802 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.434 8.669 -6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.315 10.375 -7.299 1.00 0.00 H new ATOM 1169 N PHE A 76 11.129 8.777 -3.269 1.00 0.00 N ATOM 1170 CA PHE A 76 10.255 8.806 -2.108 1.00 0.00 C ATOM 1171 C PHE A 76 10.876 7.918 -1.030 1.00 0.00 C ATOM 1172 O PHE A 76 11.223 8.436 0.018 1.00 0.00 O ATOM 1173 CB PHE A 76 8.821 8.422 -2.510 1.00 0.00 C ATOM 1174 CG PHE A 76 7.932 7.918 -1.389 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.327 8.824 -0.498 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.701 6.535 -1.245 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.479 8.347 0.518 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.838 6.060 -0.240 1.00 0.00 C ATOM 1179 CZ PHE A 76 6.231 6.969 0.643 1.00 0.00 C ATOM 0 H PHE A 76 10.681 8.414 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 76 10.166 9.809 -1.690 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.345 9.293 -2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.874 7.652 -3.280 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.513 9.883 -0.594 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.189 5.837 -1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.017 9.042 1.204 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.643 5.002 -0.148 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.573 6.608 1.419 1.00 0.00 H new ATOM 1189 N ALA A 77 11.115 6.629 -1.279 1.00 0.00 N ATOM 1190 CA ALA A 77 11.634 5.676 -0.301 1.00 0.00 C ATOM 1191 C ALA A 77 12.912 6.185 0.397 1.00 0.00 C ATOM 1192 O ALA A 77 13.021 6.145 1.630 1.00 0.00 O ATOM 1193 CB ALA A 77 11.826 4.325 -1.000 1.00 0.00 C ATOM 0 H ALA A 77 10.947 6.209 -2.193 1.00 0.00 H new ATOM 0 HA ALA A 77 10.914 5.554 0.508 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.214 3.598 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.869 3.977 -1.389 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.532 4.438 -1.822 1.00 0.00 H new ATOM 1199 N LYS A 78 13.837 6.790 -0.355 1.00 0.00 N ATOM 1200 CA LYS A 78 15.056 7.407 0.171 1.00 0.00 C ATOM 1201 C LYS A 78 14.828 8.501 1.198 1.00 0.00 C ATOM 1202 O LYS A 78 15.744 8.780 1.979 1.00 0.00 O ATOM 1203 CB LYS A 78 15.901 7.959 -0.983 1.00 0.00 C ATOM 1204 CG LYS A 78 16.849 6.874 -1.485 1.00 0.00 C ATOM 1205 CD LYS A 78 17.887 7.465 -2.420 1.00 0.00 C ATOM 1206 CE LYS A 78 18.921 6.382 -2.698 1.00 0.00 C ATOM 1207 NZ LYS A 78 19.961 6.883 -3.599 1.00 0.00 N ATOM 0 H LYS A 78 13.756 6.865 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 78 15.579 6.609 0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.254 8.295 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.469 8.827 -0.649 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.343 6.395 -0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.283 6.100 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.422 7.798 -3.348 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.358 8.338 -1.968 1.00 0.00 H new ATOM 0 HE2 LYS A 78 19.371 6.052 -1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.435 5.513 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 20.657 6.131 -3.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.529 7.176 -4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 20.436 7.698 -3.162 1.00 0.00 H new ATOM 1221 N LYS A 79 13.654 9.120 1.228 1.00 0.00 N ATOM 1222 CA LYS A 79 13.289 10.119 2.226 1.00 0.00 C ATOM 1223 C LYS A 79 13.014 9.506 3.578 1.00 0.00 C ATOM 1224 O LYS A 79 13.151 10.210 4.582 1.00 0.00 O ATOM 1225 CB LYS A 79 12.077 10.911 1.748 1.00 0.00 C ATOM 1226 CG LYS A 79 12.558 11.721 0.544 1.00 0.00 C ATOM 1227 CD LYS A 79 11.579 12.768 0.060 1.00 0.00 C ATOM 1228 CE LYS A 79 12.047 13.148 -1.349 1.00 0.00 C ATOM 1229 NZ LYS A 79 11.504 14.432 -1.807 1.00 0.00 N ATOM 0 H LYS A 79 12.916 8.939 0.548 1.00 0.00 H new ATOM 0 HA LYS A 79 14.141 10.789 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.260 10.246 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.702 11.565 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.496 12.212 0.804 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.773 11.036 -0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.562 12.376 0.043 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.575 13.636 0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.136 13.194 -1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.752 12.365 -2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.045 14.305 -2.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.806 14.779 -1.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.276 15.124 -1.895 1.00 0.00 H new ATOM 1243 N HIS A 80 12.667 8.222 3.627 1.00 0.00 N ATOM 1244 CA HIS A 80 12.417 7.517 4.874 1.00 0.00 C ATOM 1245 C HIS A 80 13.678 6.750 5.273 1.00 0.00 C ATOM 1246 O HIS A 80 13.853 6.397 6.444 1.00 0.00 O ATOM 1247 CB HIS A 80 11.163 6.649 4.737 1.00 0.00 C ATOM 1248 CG HIS A 80 10.018 7.366 4.050 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.989 8.084 4.629 1.00 0.00 N ATOM 1250 CD2 HIS A 80 9.950 7.586 2.702 1.00 0.00 C ATOM 1251 CE1 HIS A 80 8.337 8.718 3.634 1.00 0.00 C ATOM 1252 NE2 HIS A 80 8.895 8.449 2.455 1.00 0.00 N ATOM 0 H HIS A 80 12.552 7.642 2.796 1.00 0.00 H new ATOM 0 HA HIS A 80 12.206 8.210 5.688 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.411 5.749 4.174 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.841 6.327 5.727 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.606 7.160 1.958 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.478 9.358 3.774 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.602 8.809 1.546 1.00 0.00 H new ATOM 1260 N GLY A 81 14.606 6.627 4.322 1.00 0.00 N ATOM 1261 CA GLY A 81 15.929 6.054 4.474 1.00 0.00 C ATOM 1262 C GLY A 81 16.255 4.941 3.486 1.00 0.00 C ATOM 1263 O GLY A 81 17.426 4.579 3.361 1.00 0.00 O ATOM 0 H GLY A 81 14.435 6.947 3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.669 6.847 4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.027 5.663 5.487 1.00 0.00 H new ATOM 1267 N ALA A 82 15.264 4.387 2.795 1.00 0.00 N ATOM 1268 CA ALA A 82 15.482 3.194 1.972 1.00 0.00 C ATOM 1269 C ALA A 82 16.362 3.537 0.762 1.00 0.00 C ATOM 1270 O ALA A 82 15.976 4.391 -0.027 1.00 0.00 O ATOM 1271 CB ALA A 82 14.134 2.624 1.534 1.00 0.00 C ATOM 0 H ALA A 82 14.307 4.739 2.786 1.00 0.00 H new ATOM 0 HA ALA A 82 16.004 2.437 2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.296 1.737 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.549 2.356 2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.594 3.372 0.953 1.00 0.00 H new ATOM 1277 N ASP A 83 17.558 2.945 0.620 1.00 0.00 N ATOM 1278 CA ASP A 83 18.390 3.118 -0.569 1.00 0.00 C ATOM 1279 C ASP A 83 17.772 2.414 -1.783 1.00 0.00 C ATOM 1280 O ASP A 83 16.693 1.828 -1.714 1.00 0.00 O ATOM 1281 CB ASP A 83 19.835 2.636 -0.348 1.00 0.00 C ATOM 1282 CG ASP A 83 20.030 1.275 0.317 1.00 0.00 C ATOM 1283 OD1 ASP A 83 19.608 0.248 -0.251 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.703 1.226 1.373 1.00 0.00 O ATOM 0 H ASP A 83 17.970 2.336 1.327 1.00 0.00 H new ATOM 0 HA ASP A 83 18.430 4.189 -0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 83 20.333 2.611 -1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.350 3.383 0.256 1.00 0.00 H new ATOM 1289 N GLU A 84 18.445 2.499 -2.935 1.00 0.00 N ATOM 1290 CA GLU A 84 17.923 1.971 -4.191 1.00 0.00 C ATOM 1291 C GLU A 84 17.839 0.457 -4.111 1.00 0.00 C ATOM 1292 O GLU A 84 16.835 -0.111 -4.525 1.00 0.00 O ATOM 1293 CB GLU A 84 18.794 2.389 -5.383 1.00 0.00 C ATOM 1294 CG GLU A 84 19.068 3.889 -5.364 1.00 0.00 C ATOM 1295 CD GLU A 84 19.597 4.423 -6.699 1.00 0.00 C ATOM 1296 OE1 GLU A 84 18.818 4.511 -7.676 1.00 0.00 O ATOM 1297 OE2 GLU A 84 20.777 4.840 -6.765 1.00 0.00 O ATOM 0 H GLU A 84 19.363 2.935 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 84 16.927 2.386 -4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 84 19.737 1.844 -5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 84 18.295 2.119 -6.314 1.00 0.00 H new ATOM 0 HG2 GLU A 84 18.149 4.416 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 84 19.792 4.110 -4.579 1.00 0.00 H new ATOM 1304 N THR A 85 18.860 -0.188 -3.541 1.00 0.00 N ATOM 1305 CA THR A 85 18.833 -1.631 -3.324 1.00 0.00 C ATOM 1306 C THR A 85 17.680 -2.011 -2.384 1.00 0.00 C ATOM 1307 O THR A 85 17.013 -3.013 -2.629 1.00 0.00 O ATOM 1308 CB THR A 85 20.176 -2.144 -2.768 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.272 -1.682 -3.532 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.252 -3.675 -2.764 1.00 0.00 C ATOM 0 H THR A 85 19.714 0.269 -3.222 1.00 0.00 H new ATOM 0 HA THR A 85 18.670 -2.110 -4.290 1.00 0.00 H new ATOM 0 HB THR A 85 20.229 -1.760 -1.749 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.106 -2.026 -3.149 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.216 -3.990 -2.364 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.452 -4.077 -2.143 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.142 -4.047 -3.783 1.00 0.00 H new ATOM 1318 N MET A 86 17.424 -1.244 -1.320 1.00 0.00 N ATOM 1319 CA MET A 86 16.322 -1.478 -0.401 1.00 0.00 C ATOM 1320 C MET A 86 14.994 -1.417 -1.147 1.00 0.00 C ATOM 1321 O MET A 86 14.193 -2.334 -1.007 1.00 0.00 O ATOM 1322 CB MET A 86 16.374 -0.431 0.716 1.00 0.00 C ATOM 1323 CG MET A 86 17.320 -0.824 1.843 1.00 0.00 C ATOM 1324 SD MET A 86 17.583 0.457 3.092 1.00 0.00 S ATOM 1325 CE MET A 86 19.104 -0.115 3.885 1.00 0.00 C ATOM 0 H MET A 86 17.990 -0.431 -1.075 1.00 0.00 H new ATOM 0 HA MET A 86 16.411 -2.471 0.039 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.690 0.525 0.298 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.372 -0.287 1.121 1.00 0.00 H new ATOM 0 HG2 MET A 86 16.928 -1.715 2.333 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.284 -1.095 1.412 1.00 0.00 H new ATOM 0 HE1 MET A 86 18.931 -0.244 4.953 1.00 0.00 H new ATOM 0 HE2 MET A 86 19.406 -1.067 3.449 1.00 0.00 H new ATOM 0 HE3 MET A 86 19.893 0.621 3.732 1.00 0.00 H new ATOM 1335 N ALA A 87 14.760 -0.382 -1.949 1.00 0.00 N ATOM 1336 CA ALA A 87 13.557 -0.331 -2.763 1.00 0.00 C ATOM 1337 C ALA A 87 13.540 -1.531 -3.717 1.00 0.00 C ATOM 1338 O ALA A 87 12.577 -2.286 -3.755 1.00 0.00 O ATOM 1339 CB ALA A 87 13.492 1.005 -3.501 1.00 0.00 C ATOM 0 H ALA A 87 15.380 0.421 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 87 12.667 -0.396 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.589 1.040 -4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.474 1.820 -2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.367 1.109 -4.142 1.00 0.00 H new ATOM 1345 N GLN A 88 14.606 -1.757 -4.486 1.00 0.00 N ATOM 1346 CA GLN A 88 14.656 -2.777 -5.528 1.00 0.00 C ATOM 1347 C GLN A 88 14.439 -4.191 -4.962 1.00 0.00 C ATOM 1348 O GLN A 88 13.875 -5.047 -5.647 1.00 0.00 O ATOM 1349 CB GLN A 88 15.968 -2.634 -6.310 1.00 0.00 C ATOM 1350 CG GLN A 88 15.997 -3.436 -7.620 1.00 0.00 C ATOM 1351 CD GLN A 88 14.879 -3.095 -8.609 1.00 0.00 C ATOM 1352 OE1 GLN A 88 14.611 -1.934 -8.908 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.254 -4.090 -9.211 1.00 0.00 N ATOM 0 H GLN A 88 15.472 -1.226 -4.399 1.00 0.00 H new ATOM 0 HA GLN A 88 13.830 -2.623 -6.223 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.133 -1.580 -6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.795 -2.958 -5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.957 -3.271 -8.109 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.939 -4.498 -7.380 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.475 -5.055 -8.964 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.550 -3.894 -9.923 1.00 0.00 H new ATOM 1362 N GLN A 89 14.833 -4.435 -3.710 1.00 0.00 N ATOM 1363 CA GLN A 89 14.534 -5.636 -2.941 1.00 0.00 C ATOM 1364 C GLN A 89 13.029 -5.839 -2.786 1.00 0.00 C ATOM 1365 O GLN A 89 12.549 -6.964 -2.914 1.00 0.00 O ATOM 1366 CB GLN A 89 15.194 -5.495 -1.559 1.00 0.00 C ATOM 1367 CG GLN A 89 16.645 -5.971 -1.563 1.00 0.00 C ATOM 1368 CD GLN A 89 16.782 -7.440 -1.192 1.00 0.00 C ATOM 1369 OE1 GLN A 89 16.152 -8.326 -1.761 1.00 0.00 O ATOM 1370 NE2 GLN A 89 17.601 -7.717 -0.200 1.00 0.00 N ATOM 0 H GLN A 89 15.396 -3.766 -3.184 1.00 0.00 H new ATOM 0 HA GLN A 89 14.925 -6.507 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.156 -4.452 -1.245 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.627 -6.069 -0.827 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.074 -5.809 -2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.223 -5.368 -0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.116 -6.967 0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.721 -8.682 0.108 1.00 0.00 H new ATOM 1379 N LEU A 90 12.304 -4.770 -2.462 1.00 0.00 N ATOM 1380 CA LEU A 90 10.862 -4.766 -2.258 1.00 0.00 C ATOM 1381 C LEU A 90 10.114 -4.841 -3.580 1.00 0.00 C ATOM 1382 O LEU A 90 9.064 -5.465 -3.656 1.00 0.00 O ATOM 1383 CB LEU A 90 10.457 -3.478 -1.532 1.00 0.00 C ATOM 1384 CG LEU A 90 11.011 -3.359 -0.101 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.660 -1.993 0.490 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.517 -4.451 0.860 1.00 0.00 C ATOM 0 H LEU A 90 12.723 -3.850 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 90 10.602 -5.641 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.800 -2.623 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.369 -3.422 -1.494 1.00 0.00 H new ATOM 0 HG LEU A 90 12.089 -3.483 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.058 -1.922 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.095 -1.207 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.577 -1.876 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.955 -4.293 1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.430 -4.406 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.815 -5.429 0.483 1.00 0.00 H new ATOM 1398 N ILE A 91 10.644 -4.227 -4.624 1.00 0.00 N ATOM 1399 CA ILE A 91 10.093 -4.263 -5.970 1.00 0.00 C ATOM 1400 C ILE A 91 10.199 -5.702 -6.507 1.00 0.00 C ATOM 1401 O ILE A 91 9.267 -6.222 -7.124 1.00 0.00 O ATOM 1402 CB ILE A 91 10.884 -3.205 -6.772 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.459 -1.781 -6.322 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.811 -3.414 -8.288 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.525 -0.707 -6.506 1.00 0.00 C ATOM 0 H ILE A 91 11.497 -3.672 -4.557 1.00 0.00 H new ATOM 0 HA ILE A 91 9.034 -4.014 -6.033 1.00 0.00 H new ATOM 0 HB ILE A 91 11.943 -3.327 -6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.569 -1.489 -6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.177 -1.817 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.387 -2.637 -8.791 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.222 -4.392 -8.541 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.772 -3.362 -8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.137 0.253 -6.165 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.409 -0.969 -5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.792 -0.636 -7.560 1.00 0.00 H new ATOM 1417 N ASP A 92 11.315 -6.393 -6.232 1.00 0.00 N ATOM 1418 CA ASP A 92 11.503 -7.795 -6.619 1.00 0.00 C ATOM 1419 C ASP A 92 10.440 -8.679 -5.996 1.00 0.00 C ATOM 1420 O ASP A 92 9.869 -9.541 -6.660 1.00 0.00 O ATOM 1421 CB ASP A 92 12.858 -8.328 -6.149 1.00 0.00 C ATOM 1422 CG ASP A 92 13.333 -9.477 -7.043 1.00 0.00 C ATOM 1423 OD1 ASP A 92 13.539 -9.270 -8.260 1.00 0.00 O ATOM 1424 OD2 ASP A 92 13.528 -10.606 -6.538 1.00 0.00 O ATOM 0 H ASP A 92 12.111 -5.994 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 92 11.440 -7.822 -7.707 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.594 -7.524 -6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.780 -8.673 -5.118 1.00 0.00 H new ATOM 1429 N ILE A 93 10.186 -8.437 -4.712 1.00 0.00 N ATOM 1430 CA ILE A 93 9.070 -8.998 -3.970 1.00 0.00 C ATOM 1431 C ILE A 93 7.745 -8.673 -4.644 1.00 0.00 C ATOM 1432 O ILE A 93 6.969 -9.602 -4.851 1.00 0.00 O ATOM 1433 CB ILE A 93 9.100 -8.521 -2.500 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.313 -9.167 -1.826 1.00 0.00 C ATOM 1435 CG2 ILE A 93 7.776 -8.836 -1.800 1.00 0.00 C ATOM 1436 CD1 ILE A 93 10.599 -8.667 -0.405 1.00 0.00 C ATOM 0 H ILE A 93 10.773 -7.825 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 93 9.169 -10.083 -3.967 1.00 0.00 H new ATOM 0 HB ILE A 93 9.206 -7.438 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.161 -10.246 -1.793 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.193 -8.987 -2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 93 7.820 -8.492 -0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.961 -8.329 -2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.603 -9.912 -1.817 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.475 -9.180 -0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.787 -7.594 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.739 -8.872 0.233 1.00 0.00 H new ATOM 1448 N VAL A 94 7.449 -7.407 -4.945 1.00 0.00 N ATOM 1449 CA VAL A 94 6.148 -7.028 -5.475 1.00 0.00 C ATOM 1450 C VAL A 94 5.855 -7.836 -6.727 1.00 0.00 C ATOM 1451 O VAL A 94 4.790 -8.456 -6.810 1.00 0.00 O ATOM 1452 CB VAL A 94 6.009 -5.495 -5.626 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.895 -5.002 -6.574 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.788 -4.895 -4.219 1.00 0.00 C ATOM 0 H VAL A 94 8.098 -6.629 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 94 5.365 -7.282 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 94 6.933 -5.157 -6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.894 -3.912 -6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.074 -5.388 -7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.929 -5.357 -6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.687 -3.813 -4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.881 -5.314 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.640 -5.135 -3.583 1.00 0.00 H new ATOM 1464 N HIS A 95 6.808 -7.910 -7.648 1.00 0.00 N ATOM 1465 CA HIS A 95 6.624 -8.627 -8.894 1.00 0.00 C ATOM 1466 C HIS A 95 6.818 -10.131 -8.695 1.00 0.00 C ATOM 1467 O HIS A 95 6.305 -10.936 -9.465 1.00 0.00 O ATOM 1468 CB HIS A 95 7.569 -7.998 -9.917 1.00 0.00 C ATOM 1469 CG HIS A 95 7.319 -6.511 -10.082 1.00 0.00 C ATOM 1470 ND1 HIS A 95 6.167 -5.834 -9.769 1.00 0.00 N flip ATOM 1471 CD2 HIS A 95 8.234 -5.576 -10.509 1.00 0.00 C flip ATOM 1472 CE1 HIS A 95 6.337 -4.498 -10.128 1.00 0.00 C flip ATOM 1473 NE2 HIS A 95 7.625 -4.378 -10.489 1.00 0.00 N flip ATOM 0 H HIS A 95 7.725 -7.475 -7.549 1.00 0.00 H new ATOM 0 HA HIS A 95 5.604 -8.537 -9.269 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.601 -8.160 -9.605 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.445 -8.495 -10.879 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.254 -5.769 -10.806 1.00 0.00 H new ATOM 0 HE1 HIS A 95 5.588 -3.720 -10.118 1.00 0.00 H new ATOM 0 HE2 HIS A 95 8.081 -3.495 -10.718 1.00 0.00 H new ATOM 1481 N GLY A 96 7.487 -10.544 -7.620 1.00 0.00 N ATOM 1482 CA GLY A 96 7.545 -11.919 -7.153 1.00 0.00 C ATOM 1483 C GLY A 96 6.180 -12.427 -6.692 1.00 0.00 C ATOM 1484 O GLY A 96 5.819 -13.585 -6.918 1.00 0.00 O ATOM 0 H GLY A 96 8.021 -9.904 -7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.918 -12.558 -7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.256 -11.992 -6.330 1.00 0.00 H new ATOM 1488 N CYS A 97 5.397 -11.540 -6.096 1.00 0.00 N ATOM 1489 CA CYS A 97 4.152 -11.849 -5.415 1.00 0.00 C ATOM 1490 C CYS A 97 2.953 -11.668 -6.326 1.00 0.00 C ATOM 1491 O CYS A 97 1.940 -12.333 -6.094 1.00 0.00 O ATOM 1492 CB CYS A 97 4.013 -10.968 -4.175 1.00 0.00 C ATOM 1493 SG CYS A 97 5.012 -11.476 -2.748 1.00 0.00 S ATOM 0 H CYS A 97 5.622 -10.545 -6.074 1.00 0.00 H new ATOM 0 HA CYS A 97 4.180 -12.897 -5.118 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.284 -9.947 -4.443 1.00 0.00 H new ATOM 0 HB3 CYS A 97 2.965 -10.952 -3.877 1.00 0.00 H new ATOM 1498 N GLU A 98 3.076 -10.847 -7.375 1.00 0.00 N ATOM 1499 CA GLU A 98 2.122 -10.843 -8.470 1.00 0.00 C ATOM 1500 C GLU A 98 2.007 -12.273 -9.023 1.00 0.00 C ATOM 1501 O GLU A 98 0.901 -12.761 -9.270 1.00 0.00 O ATOM 1502 CB GLU A 98 2.571 -9.911 -9.609 1.00 0.00 C ATOM 1503 CG GLU A 98 2.347 -8.413 -9.375 1.00 0.00 C ATOM 1504 CD GLU A 98 2.647 -7.592 -10.649 1.00 0.00 C ATOM 1505 OE1 GLU A 98 3.807 -7.591 -11.128 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.700 -7.010 -11.236 1.00 0.00 O ATOM 0 H GLU A 98 3.836 -10.175 -7.481 1.00 0.00 H new ATOM 0 HA GLU A 98 1.165 -10.485 -8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.633 -10.076 -9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.044 -10.200 -10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.316 -8.242 -9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.986 -8.071 -8.561 1.00 0.00 H new ATOM 1513 N LYS A 99 3.157 -12.940 -9.221 1.00 0.00 N ATOM 1514 CA LYS A 99 3.248 -14.318 -9.683 1.00 0.00 C ATOM 1515 C LYS A 99 2.794 -15.305 -8.622 1.00 0.00 C ATOM 1516 O LYS A 99 1.955 -16.150 -8.938 1.00 0.00 O ATOM 1517 CB LYS A 99 4.685 -14.651 -10.125 1.00 0.00 C ATOM 1518 CG LYS A 99 4.952 -14.288 -11.595 1.00 0.00 C ATOM 1519 CD LYS A 99 5.927 -13.132 -11.815 1.00 0.00 C ATOM 1520 CE LYS A 99 7.321 -13.473 -11.269 1.00 0.00 C ATOM 1521 NZ LYS A 99 8.175 -12.279 -11.149 1.00 0.00 N ATOM 0 H LYS A 99 4.070 -12.515 -9.057 1.00 0.00 H new ATOM 0 HA LYS A 99 2.578 -14.412 -10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.390 -14.116 -9.489 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.868 -15.715 -9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.339 -15.170 -12.106 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.003 -14.036 -12.068 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.995 -12.907 -12.879 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.550 -12.235 -11.323 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.222 -13.947 -10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.801 -14.197 -11.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.061 -12.533 -10.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.389 -11.909 -12.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.678 -11.551 -10.597 1.00 0.00 H new ATOM 1535 N SER A 100 3.385 -15.294 -7.425 1.00 0.00 N ATOM 1536 CA SER A 100 3.206 -16.407 -6.497 1.00 0.00 C ATOM 1537 C SER A 100 1.827 -16.402 -5.814 1.00 0.00 C ATOM 1538 O SER A 100 1.413 -17.399 -5.201 1.00 0.00 O ATOM 1539 CB SER A 100 4.377 -16.436 -5.523 1.00 0.00 C ATOM 1540 OG SER A 100 4.306 -15.427 -4.537 1.00 0.00 O ATOM 0 H SER A 100 3.981 -14.540 -7.082 1.00 0.00 H new ATOM 0 HA SER A 100 3.212 -17.342 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.411 -17.410 -5.035 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.307 -16.326 -6.080 1.00 0.00 H new ATOM 0 HG SER A 100 5.081 -15.496 -3.942 1.00 0.00 H new ATOM 1546 N THR A 101 1.100 -15.290 -5.917 1.00 0.00 N ATOM 1547 CA THR A 101 -0.339 -15.267 -5.729 1.00 0.00 C ATOM 1548 C THR A 101 -0.976 -15.891 -6.978 1.00 0.00 C ATOM 1549 O THR A 101 -0.718 -15.407 -8.082 1.00 0.00 O ATOM 1550 CB THR A 101 -0.809 -13.826 -5.511 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.112 -13.298 -4.403 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.308 -13.741 -5.221 1.00 0.00 C ATOM 0 H THR A 101 1.501 -14.378 -6.135 1.00 0.00 H new ATOM 0 HA THR A 101 -0.635 -15.837 -4.848 1.00 0.00 H new ATOM 0 HB THR A 101 -0.612 -13.265 -6.424 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.713 -12.868 -4.710 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.592 -12.699 -5.074 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.865 -14.154 -6.062 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.537 -14.310 -4.320 1.00 0.00 H new ATOM 1560 N PRO A 102 -1.806 -16.938 -6.842 1.00 0.00 N ATOM 1561 CA PRO A 102 -2.512 -17.507 -7.983 1.00 0.00 C ATOM 1562 C PRO A 102 -3.434 -16.446 -8.597 1.00 0.00 C ATOM 1563 O PRO A 102 -3.899 -15.536 -7.903 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.261 -18.722 -7.436 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.473 -18.371 -5.964 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.251 -17.542 -5.597 1.00 0.00 C ATOM 0 HA PRO A 102 -1.850 -17.820 -8.791 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.208 -18.877 -7.953 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.681 -19.638 -7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.395 -17.808 -5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.546 -19.267 -5.348 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.500 -16.781 -4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.470 -18.165 -5.161 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.653 -16.533 -9.908 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.279 -15.498 -10.714 1.00 0.00 C ATOM 1576 C ALA A 103 -5.788 -15.463 -10.478 1.00 0.00 C ATOM 1577 O ALA A 103 -6.570 -15.982 -11.275 1.00 0.00 O ATOM 1578 CB ALA A 103 -3.943 -15.741 -12.184 1.00 0.00 C ATOM 0 H ALA A 103 -3.389 -17.355 -10.452 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.891 -14.522 -10.422 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.409 -14.969 -12.796 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.862 -15.709 -12.320 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.318 -16.719 -12.486 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.214 -14.862 -9.367 1.00 0.00 N ATOM 1585 CA ASN A 104 -7.627 -14.725 -9.062 1.00 0.00 C ATOM 1586 C ASN A 104 -8.306 -13.871 -10.132 1.00 0.00 C ATOM 1587 O ASN A 104 -7.813 -12.806 -10.511 1.00 0.00 O ATOM 1588 CB ASN A 104 -7.864 -14.125 -7.670 1.00 0.00 C ATOM 1589 CG ASN A 104 -9.240 -14.470 -7.137 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -10.252 -14.239 -7.774 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -9.335 -15.020 -5.951 1.00 0.00 N ATOM 0 H ASN A 104 -5.592 -14.462 -8.664 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.064 -15.724 -9.059 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.104 -14.493 -6.981 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.753 -13.042 -7.717 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -10.252 -15.251 -5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -8.492 -15.217 -5.411 1.00 0.00 H new ATOM 1598 N ASP A 105 -9.466 -14.339 -10.572 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.425 -13.673 -11.436 1.00 0.00 C ATOM 1600 C ASP A 105 -10.956 -12.371 -10.834 1.00 0.00 C ATOM 1601 O ASP A 105 -11.556 -11.551 -11.528 1.00 0.00 O ATOM 1602 CB ASP A 105 -11.578 -14.652 -11.666 1.00 0.00 C ATOM 1603 CG ASP A 105 -12.664 -14.084 -12.573 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -12.387 -13.797 -13.757 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -13.801 -13.890 -12.077 1.00 0.00 O ATOM 0 H ASP A 105 -9.785 -15.272 -10.311 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.934 -13.398 -12.370 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.187 -15.570 -12.106 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.017 -14.921 -10.705 1.00 0.00 H new ATOM 1610 N ASP A 106 -10.754 -12.155 -9.538 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.087 -10.918 -8.842 1.00 0.00 C ATOM 1612 C ASP A 106 -9.791 -10.172 -8.579 1.00 0.00 C ATOM 1613 O ASP A 106 -8.989 -10.622 -7.751 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.791 -11.190 -7.505 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.433 -9.936 -6.912 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.229 -8.814 -7.431 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.171 -10.077 -5.914 1.00 0.00 O ATOM 0 H ASP A 106 -10.341 -12.858 -8.925 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.768 -10.334 -9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.557 -11.952 -7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.070 -11.595 -6.795 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.540 -9.046 -9.259 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.336 -8.277 -9.013 1.00 0.00 C ATOM 1624 C LYS A 107 -8.274 -7.824 -7.562 1.00 0.00 C ATOM 1625 O LYS A 107 -7.173 -7.742 -7.031 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.246 -7.064 -9.950 1.00 0.00 C ATOM 1627 CG LYS A 107 -6.980 -7.097 -10.818 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.213 -7.860 -12.127 1.00 0.00 C ATOM 1629 CE LYS A 107 -8.013 -6.996 -13.112 1.00 0.00 C ATOM 1630 NZ LYS A 107 -8.136 -7.616 -14.447 1.00 0.00 N ATOM 0 H LYS A 107 -10.154 -8.659 -9.975 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.484 -8.926 -9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.125 -7.038 -10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.256 -6.148 -9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.665 -6.078 -11.041 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.169 -7.567 -10.262 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.256 -8.137 -12.570 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.751 -8.786 -11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.009 -6.817 -12.706 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.530 -6.024 -13.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.685 -6.991 -15.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.189 -7.763 -14.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.621 -8.532 -14.361 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.412 -7.602 -6.889 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.412 -7.288 -5.467 1.00 0.00 C ATOM 1646 C CYS A 108 -8.752 -8.426 -4.679 1.00 0.00 C ATOM 1647 O CYS A 108 -7.727 -8.232 -4.031 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.831 -7.056 -4.948 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.667 -5.531 -5.435 1.00 0.00 S ATOM 0 H CYS A 108 -10.339 -7.636 -7.313 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.844 -6.368 -5.327 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.448 -7.894 -5.273 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.799 -7.087 -3.859 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.317 -9.636 -4.748 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.836 -10.778 -3.978 1.00 0.00 C ATOM 1656 C ILE A 109 -7.397 -11.147 -4.382 1.00 0.00 C ATOM 1657 O ILE A 109 -6.584 -11.447 -3.504 1.00 0.00 O ATOM 1658 CB ILE A 109 -9.865 -11.932 -4.095 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.213 -11.497 -3.470 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.327 -13.174 -3.373 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.367 -12.480 -3.671 1.00 0.00 C ATOM 0 H ILE A 109 -10.120 -9.847 -5.340 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.764 -10.532 -2.919 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.024 -12.171 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.068 -11.345 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.498 -10.534 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.051 -13.985 -3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.385 -13.480 -3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.162 -12.941 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.267 -12.087 -3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.548 -12.616 -4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.110 -13.439 -3.221 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.046 -11.085 -5.668 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.659 -11.172 -6.124 1.00 0.00 C ATOM 1675 C TRP A 110 -4.800 -10.156 -5.362 1.00 0.00 C ATOM 1676 O TRP A 110 -3.906 -10.571 -4.634 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.558 -10.992 -7.647 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.174 -11.080 -8.218 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.460 -12.213 -8.391 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.319 -10.001 -8.696 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.223 -11.914 -8.935 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.087 -10.560 -9.159 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.466 -8.603 -8.778 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.052 -9.764 -9.682 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.437 -7.795 -9.285 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.237 -8.371 -9.731 1.00 0.00 C ATOM 0 H TRP A 110 -7.720 -10.972 -6.425 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.276 -12.169 -5.908 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.179 -11.749 -8.127 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -5.979 -10.021 -7.909 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -3.804 -13.206 -8.142 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.504 -12.607 -9.144 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.386 -8.145 -8.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.136 -10.212 -10.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.569 -6.724 -9.332 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.450 -7.739 -10.115 1.00 0.00 H new ATOM 1697 N THR A 111 -5.098 -8.861 -5.456 1.00 0.00 N ATOM 1698 CA THR A 111 -4.341 -7.768 -4.846 1.00 0.00 C ATOM 1699 C THR A 111 -4.190 -7.935 -3.320 1.00 0.00 C ATOM 1700 O THR A 111 -3.150 -7.575 -2.762 1.00 0.00 O ATOM 1701 CB THR A 111 -5.001 -6.439 -5.260 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.994 -6.348 -6.665 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.333 -5.167 -4.743 1.00 0.00 C ATOM 0 H THR A 111 -5.907 -8.531 -5.981 1.00 0.00 H new ATOM 0 HA THR A 111 -3.315 -7.777 -5.213 1.00 0.00 H new ATOM 0 HB THR A 111 -5.995 -6.479 -4.814 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.875 -6.597 -7.013 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.884 -4.296 -5.098 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.330 -5.175 -3.653 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.307 -5.120 -5.108 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.167 -8.529 -2.617 1.00 0.00 N ATOM 1712 CA LEU A 112 -5.034 -8.846 -1.209 1.00 0.00 C ATOM 1713 C LEU A 112 -3.971 -9.930 -1.047 1.00 0.00 C ATOM 1714 O LEU A 112 -3.081 -9.791 -0.211 1.00 0.00 O ATOM 1715 CB LEU A 112 -6.414 -9.248 -0.657 1.00 0.00 C ATOM 1716 CG LEU A 112 -6.491 -9.511 0.857 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -6.167 -10.972 1.136 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -5.632 -8.574 1.710 1.00 0.00 C ATOM 0 H LEU A 112 -6.065 -8.798 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.700 -7.985 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.125 -8.459 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.742 -10.147 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.515 -9.291 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.222 -11.158 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.885 -11.609 0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.162 -11.196 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.748 -8.832 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.585 -8.679 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.950 -7.544 1.552 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.072 -11.020 -1.809 1.00 0.00 N ATOM 1731 CA GLY A 113 -3.093 -12.102 -1.800 1.00 0.00 C ATOM 1732 C GLY A 113 -1.682 -11.583 -2.067 1.00 0.00 C ATOM 1733 O GLY A 113 -0.772 -11.881 -1.295 1.00 0.00 O ATOM 0 H GLY A 113 -4.845 -11.176 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.119 -12.609 -0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.359 -12.841 -2.556 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.526 -10.768 -3.108 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.307 -10.075 -3.501 1.00 0.00 C ATOM 1739 C VAL A 114 0.261 -9.334 -2.271 1.00 0.00 C ATOM 1740 O VAL A 114 1.371 -9.622 -1.831 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.658 -9.196 -4.720 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.451 -8.242 -5.114 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.926 -10.043 -5.974 1.00 0.00 C ATOM 0 H VAL A 114 -2.300 -10.563 -3.739 1.00 0.00 H new ATOM 0 HA VAL A 114 0.498 -10.737 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.541 -8.644 -4.398 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.137 -7.655 -5.977 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.669 -7.574 -4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.346 -8.810 -5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.170 -9.388 -6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.037 -10.626 -6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.762 -10.717 -5.786 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.507 -8.444 -1.632 1.00 0.00 N ATOM 1754 CA ALA A 115 -0.027 -7.694 -0.468 1.00 0.00 C ATOM 1755 C ALA A 115 0.208 -8.563 0.780 1.00 0.00 C ATOM 1756 O ALA A 115 1.025 -8.196 1.629 1.00 0.00 O ATOM 1757 CB ALA A 115 -1.024 -6.579 -0.152 1.00 0.00 C ATOM 0 H ALA A 115 -1.466 -8.226 -1.903 1.00 0.00 H new ATOM 0 HA ALA A 115 0.948 -7.285 -0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.676 -6.014 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.109 -5.912 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.999 -7.014 0.067 1.00 0.00 H new ATOM 1763 N THR A 116 -0.481 -9.697 0.923 1.00 0.00 N ATOM 1764 CA THR A 116 -0.242 -10.651 2.008 1.00 0.00 C ATOM 1765 C THR A 116 1.134 -11.300 1.800 1.00 0.00 C ATOM 1766 O THR A 116 1.941 -11.386 2.732 1.00 0.00 O ATOM 1767 CB THR A 116 -1.384 -11.689 2.048 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.647 -11.049 2.130 1.00 0.00 O ATOM 1769 CG2 THR A 116 -1.282 -12.659 3.229 1.00 0.00 C ATOM 0 H THR A 116 -1.225 -9.981 0.285 1.00 0.00 H new ATOM 0 HA THR A 116 -0.234 -10.147 2.974 1.00 0.00 H new ATOM 0 HB THR A 116 -1.287 -12.255 1.121 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.882 -10.675 1.255 1.00 0.00 H new ATOM 0 HG21 THR A 116 -2.115 -13.361 3.196 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.342 -13.208 3.169 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.316 -12.099 4.164 1.00 0.00 H new ATOM 1777 N CYS A 117 1.417 -11.708 0.559 1.00 0.00 N ATOM 1778 CA CYS A 117 2.706 -12.213 0.128 1.00 0.00 C ATOM 1779 C CYS A 117 3.801 -11.177 0.401 1.00 0.00 C ATOM 1780 O CYS A 117 4.865 -11.571 0.881 1.00 0.00 O ATOM 1781 CB CYS A 117 2.601 -12.642 -1.341 1.00 0.00 C ATOM 1782 SG CYS A 117 4.121 -13.203 -2.143 1.00 0.00 S ATOM 0 H CYS A 117 0.726 -11.692 -0.191 1.00 0.00 H new ATOM 0 HA CYS A 117 2.994 -13.096 0.699 1.00 0.00 H new ATOM 0 HB2 CYS A 117 1.867 -13.445 -1.408 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.207 -11.801 -1.912 1.00 0.00 H new ATOM 1787 N PHE A 118 3.551 -9.868 0.205 1.00 0.00 N ATOM 1788 CA PHE A 118 4.552 -8.848 0.462 1.00 0.00 C ATOM 1789 C PHE A 118 5.110 -8.975 1.890 1.00 0.00 C ATOM 1790 O PHE A 118 6.292 -9.225 2.104 1.00 0.00 O ATOM 1791 CB PHE A 118 3.981 -7.437 0.193 1.00 0.00 C ATOM 1792 CG PHE A 118 5.017 -6.325 0.028 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.379 -6.589 0.223 1.00 0.00 C ATOM 1794 CD2 PHE A 118 4.656 -5.036 -0.397 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.360 -5.619 -0.010 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.624 -4.025 -0.514 1.00 0.00 C ATOM 1797 CZ PHE A 118 6.971 -4.312 -0.312 1.00 0.00 C ATOM 0 H PHE A 118 2.659 -9.505 -0.131 1.00 0.00 H new ATOM 0 HA PHE A 118 5.383 -9.001 -0.227 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.371 -7.478 -0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.317 -7.171 1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 118 6.680 -7.569 0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 118 3.625 -4.820 -0.636 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.407 -5.878 0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.321 -3.018 -0.762 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.711 -3.529 -0.388 1.00 0.00 H new ATOM 1807 N LYS A 119 4.243 -8.815 2.882 1.00 0.00 N ATOM 1808 CA LYS A 119 4.521 -8.923 4.318 1.00 0.00 C ATOM 1809 C LYS A 119 5.407 -10.129 4.617 1.00 0.00 C ATOM 1810 O LYS A 119 6.454 -9.993 5.250 1.00 0.00 O ATOM 1811 CB LYS A 119 3.193 -9.049 5.088 1.00 0.00 C ATOM 1812 CG LYS A 119 3.277 -8.428 6.497 1.00 0.00 C ATOM 1813 CD LYS A 119 2.041 -8.738 7.359 1.00 0.00 C ATOM 1814 CE LYS A 119 1.897 -7.737 8.519 1.00 0.00 C ATOM 1815 NZ LYS A 119 0.588 -7.841 9.206 1.00 0.00 N ATOM 0 H LYS A 119 3.265 -8.592 2.699 1.00 0.00 H new ATOM 0 HA LYS A 119 5.051 -8.025 4.636 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.400 -8.559 4.523 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.922 -10.101 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.169 -8.801 7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.390 -7.348 6.407 1.00 0.00 H new ATOM 0 HD2 LYS A 119 1.146 -8.708 6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.118 -9.750 7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 119 2.696 -7.907 9.241 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.022 -6.724 8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.570 -7.193 10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -0.173 -7.587 8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 0.446 -8.817 9.537 1.00 0.00 H new ATOM 1829 N ALA A 120 4.979 -11.295 4.132 1.00 0.00 N ATOM 1830 CA ALA A 120 5.690 -12.555 4.297 1.00 0.00 C ATOM 1831 C ALA A 120 7.103 -12.496 3.705 1.00 0.00 C ATOM 1832 O ALA A 120 8.056 -12.931 4.346 1.00 0.00 O ATOM 1833 CB ALA A 120 4.876 -13.689 3.668 1.00 0.00 C ATOM 0 H ALA A 120 4.111 -11.388 3.604 1.00 0.00 H new ATOM 0 HA ALA A 120 5.805 -12.746 5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.409 -14.632 3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 120 3.904 -13.754 4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.734 -13.489 2.606 1.00 0.00 H new ATOM 1839 N GLU A 121 7.281 -11.954 2.504 1.00 0.00 N ATOM 1840 CA GLU A 121 8.602 -11.799 1.905 1.00 0.00 C ATOM 1841 C GLU A 121 9.464 -10.792 2.682 1.00 0.00 C ATOM 1842 O GLU A 121 10.657 -11.031 2.855 1.00 0.00 O ATOM 1843 CB GLU A 121 8.461 -11.317 0.467 1.00 0.00 C ATOM 1844 CG GLU A 121 8.038 -12.371 -0.558 1.00 0.00 C ATOM 1845 CD GLU A 121 9.173 -13.290 -1.006 1.00 0.00 C ATOM 1846 OE1 GLU A 121 10.275 -12.780 -1.314 1.00 0.00 O ATOM 1847 OE2 GLU A 121 8.965 -14.520 -1.098 1.00 0.00 O ATOM 0 H GLU A 121 6.517 -11.611 1.921 1.00 0.00 H new ATOM 0 HA GLU A 121 9.093 -12.772 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.732 -10.507 0.447 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.415 -10.895 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.239 -12.978 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.624 -11.868 -1.432 1.00 0.00 H new ATOM 1854 N ILE A 122 8.910 -9.672 3.172 1.00 0.00 N ATOM 1855 CA ILE A 122 9.625 -8.758 4.063 1.00 0.00 C ATOM 1856 C ILE A 122 10.127 -9.511 5.297 1.00 0.00 C ATOM 1857 O ILE A 122 11.218 -9.216 5.790 1.00 0.00 O ATOM 1858 CB ILE A 122 8.754 -7.531 4.437 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.436 -6.722 3.167 1.00 0.00 C ATOM 1860 CG2 ILE A 122 9.425 -6.649 5.513 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.595 -5.463 3.415 1.00 0.00 C ATOM 0 H ILE A 122 7.956 -9.379 2.960 1.00 0.00 H new ATOM 0 HA ILE A 122 10.494 -8.366 3.535 1.00 0.00 H new ATOM 0 HB ILE A 122 7.822 -7.891 4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.373 -6.431 2.691 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.907 -7.365 2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.779 -5.802 5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 122 9.588 -7.237 6.416 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.382 -6.285 5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.417 -4.952 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.641 -5.745 3.861 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.129 -4.796 4.092 1.00 0.00 H new ATOM 1873 N HIS A 123 9.378 -10.508 5.774 1.00 0.00 N ATOM 1874 CA HIS A 123 9.791 -11.339 6.895 1.00 0.00 C ATOM 1875 C HIS A 123 11.106 -12.086 6.609 1.00 0.00 C ATOM 1876 O HIS A 123 11.804 -12.454 7.557 1.00 0.00 O ATOM 1877 CB HIS A 123 8.655 -12.295 7.283 1.00 0.00 C ATOM 1878 CG HIS A 123 8.573 -12.584 8.757 1.00 0.00 C ATOM 1879 ND1 HIS A 123 8.434 -13.830 9.317 1.00 0.00 N ATOM 1880 CD2 HIS A 123 8.533 -11.664 9.767 1.00 0.00 C ATOM 1881 CE1 HIS A 123 8.312 -13.671 10.642 1.00 0.00 C ATOM 1882 NE2 HIS A 123 8.351 -12.362 10.965 1.00 0.00 N ATOM 0 H HIS A 123 8.467 -10.758 5.389 1.00 0.00 H new ATOM 0 HA HIS A 123 9.996 -10.689 7.746 1.00 0.00 H new ATOM 0 HB2 HIS A 123 7.707 -11.869 6.954 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.786 -13.235 6.746 1.00 0.00 H new ATOM 0 HD2 HIS A 123 8.625 -10.593 9.659 1.00 0.00 H new ATOM 0 HE1 HIS A 123 8.198 -14.477 11.351 1.00 0.00 H new ATOM 0 HE2 HIS A 123 8.265 -11.961 11.899 1.00 0.00 H new ATOM 1890 N LYS A 124 11.493 -12.253 5.334 1.00 0.00 N ATOM 1891 CA LYS A 124 12.761 -12.859 4.928 1.00 0.00 C ATOM 1892 C LYS A 124 13.912 -11.849 4.843 1.00 0.00 C ATOM 1893 O LYS A 124 15.068 -12.274 4.803 1.00 0.00 O ATOM 1894 CB LYS A 124 12.566 -13.735 3.672 1.00 0.00 C ATOM 1895 CG LYS A 124 13.161 -13.107 2.416 1.00 0.00 C ATOM 1896 CD LYS A 124 12.625 -13.753 1.133 1.00 0.00 C ATOM 1897 CE LYS A 124 13.224 -13.180 -0.159 1.00 0.00 C ATOM 1898 NZ LYS A 124 12.689 -11.846 -0.494 1.00 0.00 N ATOM 0 H LYS A 124 10.917 -11.963 4.544 1.00 0.00 H new ATOM 0 HA LYS A 124 13.086 -13.535 5.719 1.00 0.00 H new ATOM 0 HB2 LYS A 124 13.026 -14.709 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 124 11.501 -13.908 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.936 -12.040 2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 124 14.246 -13.204 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 124 12.824 -14.824 1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.542 -13.631 1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 124 14.307 -13.117 -0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 124 13.022 -13.865 -0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 13.303 -11.393 -1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 11.729 -11.944 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 12.657 -11.259 0.364 1.00 0.00 H new ATOM 1912 N LEU A 125 13.644 -10.540 4.779 1.00 0.00 N ATOM 1913 CA LEU A 125 14.694 -9.533 4.630 1.00 0.00 C ATOM 1914 C LEU A 125 15.488 -9.409 5.926 1.00 0.00 C ATOM 1915 O LEU A 125 14.992 -9.682 7.020 1.00 0.00 O ATOM 1916 CB LEU A 125 14.109 -8.152 4.279 1.00 0.00 C ATOM 1917 CG LEU A 125 13.620 -8.013 2.824 1.00 0.00 C ATOM 1918 CD1 LEU A 125 12.703 -6.798 2.652 1.00 0.00 C ATOM 1919 CD2 LEU A 125 14.835 -7.846 1.903 1.00 0.00 C ATOM 0 H LEU A 125 12.701 -10.154 4.829 1.00 0.00 H new ATOM 0 HA LEU A 125 15.343 -9.858 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 125 13.276 -7.944 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.867 -7.392 4.468 1.00 0.00 H new ATOM 0 HG LEU A 125 13.056 -8.910 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.378 -6.732 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.832 -6.905 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.246 -5.892 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.498 -7.747 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.390 -6.953 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.481 -8.719 1.992 1.00 0.00 H new ATOM 1931 N ASN A 126 16.700 -8.865 5.808 1.00 0.00 N ATOM 1932 CA ASN A 126 17.522 -8.506 6.970 1.00 0.00 C ATOM 1933 C ASN A 126 17.156 -7.121 7.519 1.00 0.00 C ATOM 1934 O ASN A 126 17.753 -6.665 8.495 1.00 0.00 O ATOM 1935 CB ASN A 126 19.026 -8.581 6.649 1.00 0.00 C ATOM 1936 CG ASN A 126 19.851 -8.588 7.934 1.00 0.00 C ATOM 1937 OD1 ASN A 126 19.844 -9.555 8.694 1.00 0.00 O ATOM 1938 ND2 ASN A 126 20.595 -7.542 8.226 1.00 0.00 N ATOM 0 H ASN A 126 17.140 -8.661 4.911 1.00 0.00 H new ATOM 0 HA ASN A 126 17.307 -9.242 7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 126 19.235 -9.481 6.071 1.00 0.00 H new ATOM 0 HB3 ASN A 126 19.314 -7.731 6.030 1.00 0.00 H new ATOM 0 HD21 ASN A 126 21.159 -7.538 9.076 1.00 0.00 H new ATOM 0 HD22 ASN A 126 20.608 -6.735 7.602 1.00 0.00 H new ATOM 1945 N TRP A 127 16.223 -6.408 6.883 1.00 0.00 N ATOM 1946 CA TRP A 127 15.746 -5.110 7.349 1.00 0.00 C ATOM 1947 C TRP A 127 14.225 -5.101 7.421 1.00 0.00 C ATOM 1948 O TRP A 127 13.562 -6.055 7.010 1.00 0.00 O ATOM 1949 CB TRP A 127 16.313 -3.967 6.488 1.00 0.00 C ATOM 1950 CG TRP A 127 15.849 -3.905 5.068 1.00 0.00 C ATOM 1951 CD1 TRP A 127 16.064 -4.858 4.136 1.00 0.00 C ATOM 1952 CD2 TRP A 127 15.103 -2.844 4.394 1.00 0.00 C ATOM 1953 NE1 TRP A 127 15.463 -4.492 2.955 1.00 0.00 N ATOM 1954 CE2 TRP A 127 14.809 -3.291 3.075 1.00 0.00 C ATOM 1955 CE3 TRP A 127 14.639 -1.558 4.748 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 14.027 -2.559 2.185 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 13.910 -0.777 3.829 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.577 -1.284 2.561 1.00 0.00 C ATOM 0 H TRP A 127 15.775 -6.721 6.022 1.00 0.00 H new ATOM 0 HA TRP A 127 16.115 -4.939 8.360 1.00 0.00 H new ATOM 0 HB2 TRP A 127 16.063 -3.022 6.970 1.00 0.00 H new ATOM 0 HB3 TRP A 127 17.400 -4.047 6.488 1.00 0.00 H new ATOM 0 HD1 TRP A 127 16.623 -5.769 4.294 1.00 0.00 H new ATOM 0 HE1 TRP A 127 15.499 -5.043 2.098 1.00 0.00 H new ATOM 0 HE3 TRP A 127 14.845 -1.169 5.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 13.770 -2.967 1.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.604 0.222 4.102 1.00 0.00 H new ATOM 0 HH2 TRP A 127 12.979 -0.696 1.881 1.00 0.00 H new ATOM 1969 N ALA A 128 13.687 -4.018 7.976 1.00 0.00 N ATOM 1970 CA ALA A 128 12.276 -3.834 8.256 1.00 0.00 C ATOM 1971 C ALA A 128 11.891 -2.455 7.708 1.00 0.00 C ATOM 1972 O ALA A 128 12.098 -1.460 8.410 1.00 0.00 O ATOM 1973 CB ALA A 128 12.036 -3.987 9.763 1.00 0.00 C ATOM 0 H ALA A 128 14.251 -3.214 8.252 1.00 0.00 H new ATOM 0 HA ALA A 128 11.647 -4.583 7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.976 -3.849 9.978 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.345 -4.983 10.081 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.616 -3.238 10.302 1.00 0.00 H new ATOM 1979 N PRO A 129 11.422 -2.365 6.449 1.00 0.00 N ATOM 1980 CA PRO A 129 11.083 -1.096 5.817 1.00 0.00 C ATOM 1981 C PRO A 129 10.093 -0.311 6.669 1.00 0.00 C ATOM 1982 O PRO A 129 9.190 -0.901 7.279 1.00 0.00 O ATOM 1983 CB PRO A 129 10.456 -1.436 4.464 1.00 0.00 C ATOM 1984 CG PRO A 129 10.851 -2.886 4.198 1.00 0.00 C ATOM 1985 CD PRO A 129 11.096 -3.479 5.577 1.00 0.00 C ATOM 0 HA PRO A 129 11.971 -0.475 5.701 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.372 -1.321 4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.827 -0.776 3.680 1.00 0.00 H new ATOM 0 HG2 PRO A 129 10.061 -3.421 3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.745 -2.945 3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.212 -4.007 5.935 1.00 0.00 H new ATOM 0 HD3 PRO A 129 11.911 -4.202 5.550 1.00 0.00 H new ATOM 1993 N SER A 130 10.205 1.015 6.647 1.00 0.00 N ATOM 1994 CA SER A 130 9.178 1.887 7.186 1.00 0.00 C ATOM 1995 C SER A 130 7.862 1.531 6.498 1.00 0.00 C ATOM 1996 O SER A 130 7.837 1.204 5.310 1.00 0.00 O ATOM 1997 CB SER A 130 9.531 3.358 6.936 1.00 0.00 C ATOM 1998 OG SER A 130 10.937 3.537 6.843 1.00 0.00 O ATOM 0 H SER A 130 11.008 1.508 6.256 1.00 0.00 H new ATOM 0 HA SER A 130 9.095 1.750 8.264 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.056 3.698 6.016 1.00 0.00 H new ATOM 0 HB3 SER A 130 9.136 3.973 7.745 1.00 0.00 H new ATOM 0 HG SER A 130 11.146 4.495 6.842 1.00 0.00 H new ATOM 2004 N MET A 131 6.758 1.603 7.229 1.00 0.00 N ATOM 2005 CA MET A 131 5.464 1.271 6.659 1.00 0.00 C ATOM 2006 C MET A 131 5.085 2.247 5.546 1.00 0.00 C ATOM 2007 O MET A 131 4.459 1.841 4.570 1.00 0.00 O ATOM 2008 CB MET A 131 4.422 1.272 7.777 1.00 0.00 C ATOM 2009 CG MET A 131 3.822 -0.118 7.997 1.00 0.00 C ATOM 2010 SD MET A 131 2.079 -0.205 7.558 1.00 0.00 S ATOM 2011 CE MET A 131 1.440 0.907 8.835 1.00 0.00 C ATOM 0 H MET A 131 6.734 1.886 8.209 1.00 0.00 H new ATOM 0 HA MET A 131 5.508 0.280 6.207 1.00 0.00 H new ATOM 0 HB2 MET A 131 4.882 1.620 8.702 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.627 1.976 7.532 1.00 0.00 H new ATOM 0 HG2 MET A 131 4.377 -0.846 7.405 1.00 0.00 H new ATOM 0 HG3 MET A 131 3.943 -0.399 9.043 1.00 0.00 H new ATOM 0 HE1 MET A 131 0.599 1.474 8.436 1.00 0.00 H new ATOM 0 HE2 MET A 131 1.109 0.323 9.694 1.00 0.00 H new ATOM 0 HE3 MET A 131 2.227 1.595 9.146 1.00 0.00 H new ATOM 2021 N ASP A 132 5.508 3.510 5.666 1.00 0.00 N ATOM 2022 CA ASP A 132 5.290 4.525 4.639 1.00 0.00 C ATOM 2023 C ASP A 132 5.921 4.074 3.327 1.00 0.00 C ATOM 2024 O ASP A 132 5.299 4.198 2.279 1.00 0.00 O ATOM 2025 CB ASP A 132 5.868 5.875 5.076 1.00 0.00 C ATOM 2026 CG ASP A 132 5.137 6.417 6.298 1.00 0.00 C ATOM 2027 OD1 ASP A 132 5.485 5.983 7.425 1.00 0.00 O ATOM 2028 OD2 ASP A 132 4.230 7.258 6.124 1.00 0.00 O ATOM 0 H ASP A 132 6.013 3.855 6.483 1.00 0.00 H new ATOM 0 HA ASP A 132 4.217 4.650 4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 132 6.928 5.763 5.303 1.00 0.00 H new ATOM 0 HB3 ASP A 132 5.791 6.589 4.256 1.00 0.00 H new ATOM 2033 N VAL A 133 7.125 3.496 3.395 1.00 0.00 N ATOM 2034 CA VAL A 133 7.811 2.893 2.266 1.00 0.00 C ATOM 2035 C VAL A 133 7.010 1.675 1.808 1.00 0.00 C ATOM 2036 O VAL A 133 6.395 1.739 0.754 1.00 0.00 O ATOM 2037 CB VAL A 133 9.283 2.587 2.623 1.00 0.00 C ATOM 2038 CG1 VAL A 133 10.030 1.877 1.493 1.00 0.00 C ATOM 2039 CG2 VAL A 133 10.013 3.891 2.971 1.00 0.00 C ATOM 0 H VAL A 133 7.657 3.437 4.264 1.00 0.00 H new ATOM 0 HA VAL A 133 7.863 3.582 1.423 1.00 0.00 H new ATOM 0 HB VAL A 133 9.270 1.914 3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 133 11.059 1.687 1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.538 0.931 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 133 10.027 2.506 0.603 1.00 0.00 H new ATOM 0 HG21 VAL A 133 11.051 3.671 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 133 9.982 4.565 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.526 4.364 3.823 1.00 0.00 H new ATOM 2049 N ALA A 134 6.960 0.581 2.576 1.00 0.00 N ATOM 2050 CA ALA A 134 6.463 -0.691 2.047 1.00 0.00 C ATOM 2051 C ALA A 134 5.019 -0.610 1.547 1.00 0.00 C ATOM 2052 O ALA A 134 4.700 -1.258 0.560 1.00 0.00 O ATOM 2053 CB ALA A 134 6.594 -1.798 3.092 1.00 0.00 C ATOM 0 H ALA A 134 7.253 0.551 3.552 1.00 0.00 H new ATOM 0 HA ALA A 134 7.086 -0.928 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.219 -2.734 2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.642 -1.916 3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.014 -1.534 3.976 1.00 0.00 H new ATOM 2059 N VAL A 135 4.134 0.151 2.193 1.00 0.00 N ATOM 2060 CA VAL A 135 2.787 0.323 1.660 1.00 0.00 C ATOM 2061 C VAL A 135 2.824 1.337 0.506 1.00 0.00 C ATOM 2062 O VAL A 135 2.122 1.132 -0.477 1.00 0.00 O ATOM 2063 CB VAL A 135 1.781 0.683 2.773 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.342 0.587 2.242 1.00 0.00 C ATOM 2065 CG2 VAL A 135 1.880 -0.281 3.972 1.00 0.00 C ATOM 0 H VAL A 135 4.321 0.646 3.065 1.00 0.00 H new ATOM 0 HA VAL A 135 2.427 -0.621 1.251 1.00 0.00 H new ATOM 0 HB VAL A 135 2.023 1.697 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.357 0.844 3.038 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.214 1.279 1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.147 -0.430 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.155 0.008 4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 135 1.671 -1.298 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 135 2.884 -0.236 4.393 1.00 0.00 H new ATOM 2075 N GLY A 136 3.640 2.391 0.591 1.00 0.00 N ATOM 2076 CA GLY A 136 3.818 3.379 -0.462 1.00 0.00 C ATOM 2077 C GLY A 136 4.238 2.749 -1.795 1.00 0.00 C ATOM 2078 O GLY A 136 3.657 3.093 -2.830 1.00 0.00 O ATOM 0 H GLY A 136 4.207 2.580 1.417 1.00 0.00 H new ATOM 0 HA2 GLY A 136 2.887 3.928 -0.601 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.572 4.103 -0.153 1.00 0.00 H new ATOM 2082 N GLU A 137 5.221 1.844 -1.771 1.00 0.00 N ATOM 2083 CA GLU A 137 5.874 1.282 -2.946 1.00 0.00 C ATOM 2084 C GLU A 137 4.946 0.285 -3.638 1.00 0.00 C ATOM 2085 O GLU A 137 4.740 0.411 -4.840 1.00 0.00 O ATOM 2086 CB GLU A 137 7.236 0.643 -2.595 1.00 0.00 C ATOM 2087 CG GLU A 137 8.243 1.644 -1.976 1.00 0.00 C ATOM 2088 CD GLU A 137 9.724 1.436 -2.335 1.00 0.00 C ATOM 2089 OE1 GLU A 137 10.188 2.062 -3.317 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.424 0.776 -1.534 1.00 0.00 O ATOM 0 H GLU A 137 5.594 1.472 -0.898 1.00 0.00 H new ATOM 0 HA GLU A 137 6.082 2.096 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.075 -0.178 -1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.671 0.213 -3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 137 7.956 2.650 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.145 1.600 -0.891 1.00 0.00 H new ATOM 2097 N ILE A 138 4.310 -0.643 -2.909 1.00 0.00 N ATOM 2098 CA ILE A 138 3.459 -1.640 -3.572 1.00 0.00 C ATOM 2099 C ILE A 138 2.293 -0.978 -4.306 1.00 0.00 C ATOM 2100 O ILE A 138 1.927 -1.406 -5.398 1.00 0.00 O ATOM 2101 CB ILE A 138 2.963 -2.741 -2.607 1.00 0.00 C ATOM 2102 CG1 ILE A 138 2.095 -3.795 -3.336 1.00 0.00 C ATOM 2103 CG2 ILE A 138 2.206 -2.169 -1.387 1.00 0.00 C ATOM 2104 CD1 ILE A 138 1.807 -5.086 -2.551 1.00 0.00 C ATOM 0 H ILE A 138 4.365 -0.724 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 138 4.086 -2.137 -4.312 1.00 0.00 H new ATOM 0 HB ILE A 138 3.859 -3.234 -2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.144 -3.334 -3.601 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.590 -4.063 -4.269 1.00 0.00 H new ATOM 0 HG21 ILE A 138 1.881 -2.987 -0.744 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.866 -1.507 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.336 -1.609 -1.729 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.192 -5.751 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 138 2.747 -5.582 -2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.278 -4.841 -1.630 1.00 0.00 H new ATOM 2116 N LEU A 139 1.701 0.067 -3.723 1.00 0.00 N ATOM 2117 CA LEU A 139 0.640 0.815 -4.386 1.00 0.00 C ATOM 2118 C LEU A 139 1.169 1.464 -5.654 1.00 0.00 C ATOM 2119 O LEU A 139 0.490 1.531 -6.666 1.00 0.00 O ATOM 2120 CB LEU A 139 0.160 1.946 -3.494 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.611 1.560 -2.225 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -1.047 2.840 -1.513 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.813 0.674 -2.508 1.00 0.00 C ATOM 0 H LEU A 139 1.941 0.411 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.166 0.116 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.029 2.533 -3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.477 2.599 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 139 0.054 0.973 -1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.597 2.583 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -0.167 3.427 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.688 3.424 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.317 0.435 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.504 1.198 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.481 -0.247 -2.987 1.00 0.00 H new ATOM 2135 N ALA A 140 2.378 1.996 -5.594 1.00 0.00 N ATOM 2136 CA ALA A 140 3.038 2.490 -6.781 1.00 0.00 C ATOM 2137 C ALA A 140 3.298 1.396 -7.831 1.00 0.00 C ATOM 2138 O ALA A 140 3.698 1.757 -8.928 1.00 0.00 O ATOM 2139 CB ALA A 140 4.320 3.229 -6.395 1.00 0.00 C ATOM 0 H ALA A 140 2.919 2.095 -4.735 1.00 0.00 H new ATOM 0 HA ALA A 140 2.359 3.193 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 140 4.812 3.598 -7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.074 4.069 -5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 140 4.989 2.547 -5.870 1.00 0.00 H new ATOM 2145 N GLU A 141 3.097 0.101 -7.593 1.00 0.00 N ATOM 2146 CA GLU A 141 3.498 -0.935 -8.535 1.00 0.00 C ATOM 2147 C GLU A 141 2.363 -1.857 -8.993 1.00 0.00 C ATOM 2148 O GLU A 141 2.449 -2.381 -10.110 1.00 0.00 O ATOM 2149 CB GLU A 141 4.592 -1.766 -7.873 1.00 0.00 C ATOM 2150 CG GLU A 141 5.971 -1.105 -7.925 1.00 0.00 C ATOM 2151 CD GLU A 141 6.978 -2.016 -7.268 1.00 0.00 C ATOM 2152 OE1 GLU A 141 6.967 -2.181 -6.033 1.00 0.00 O ATOM 2153 OE2 GLU A 141 7.794 -2.533 -8.064 1.00 0.00 O ATOM 0 H GLU A 141 2.654 -0.255 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 141 3.843 -0.432 -9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 141 4.322 -1.946 -6.832 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.645 -2.739 -8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 141 6.257 -0.911 -8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.946 -0.142 -7.415 1.00 0.00 H new ATOM 2160 N VAL A 142 1.356 -2.098 -8.150 1.00 0.00 N ATOM 2161 CA VAL A 142 0.361 -3.151 -8.330 1.00 0.00 C ATOM 2162 C VAL A 142 -0.833 -2.624 -9.112 1.00 0.00 C ATOM 2163 O VAL A 142 -1.069 -3.093 -10.243 1.00 0.00 O ATOM 2164 CB VAL A 142 0.046 -3.778 -6.952 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -1.323 -4.455 -6.844 1.00 0.00 C ATOM 2166 CG2 VAL A 142 1.133 -4.808 -6.607 1.00 0.00 C ATOM 0 H VAL A 142 1.209 -1.550 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 142 0.739 -3.967 -8.946 1.00 0.00 H new ATOM 0 HB VAL A 142 0.026 -2.945 -6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.449 -4.863 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.107 -3.723 -7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.389 -5.261 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.917 -5.254 -5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.150 -5.588 -7.369 1.00 0.00 H new ATOM 0 HG23 VAL A 142 2.104 -4.314 -6.571 1.00 0.00 H new