USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 784 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 28 TYR OH : rot -148:sc= 0.638 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0.0144 USER MOD Set 2.1: A 16 TYR OH : rot 15:sc= -0.379 USER MOD Set 2.2: A 82 SER OG : rot 180:sc= -0.0985 USER MOD Single : A 11 LYS NZ :NH3+ -110:sc= -0.0686 (180deg=-0.738) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.132 K(o=-0.13,f=-6.2!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0.0415 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.845 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 83:sc= 0.476 USER MOD Single : A 50 SER OG : rot 18:sc= 0.14 USER MOD Single : A 52 ASN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 54 ASN : amide:sc= -2.66 X(o=-2.7,f=-2.2) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 150:sc= 0.0766 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.152 K(o=-0.15,f=-2.4!) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.309 USER MOD Single : A 85 CYS SG : rot 45:sc= -0.928 USER MOD Single : A 87 SER OG : rot 180:sc= -0.883 USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= 1.16 (180deg=1.15) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 150:sc= -0.147 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 98 LYS NZ :NH3+ -158:sc= -0.016 (180deg=-0.786) USER MOD Single : A 99 ASN : amide:sc= -0.792 X(o=-0.79,f=-0.44) USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 103 ASN : amide:sc= 0.0946 X(o=0.095,f=0) USER MOD Single : A 105 SER OG : rot -98:sc= 0.9 USER MOD ----------------------------------------------------------------- ATOM 112 N ALA A 10 -8.134 4.038 12.126 1.00 0.00 N ATOM 113 CA ALA A 10 -6.931 3.732 11.362 1.00 0.00 C ATOM 114 C ALA A 10 -7.281 3.192 9.980 1.00 0.00 C ATOM 115 O ALA A 10 -7.840 2.103 9.851 1.00 0.00 O ATOM 116 CB ALA A 10 -6.066 2.734 12.117 1.00 0.00 C ATOM 0 HA ALA A 10 -6.369 4.657 11.230 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.171 2.515 11.535 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.778 3.157 13.079 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.628 1.814 12.279 1.00 0.00 H new ATOM 122 N LYS A 11 -6.946 3.960 8.948 1.00 0.00 N ATOM 123 CA LYS A 11 -7.224 3.559 7.574 1.00 0.00 C ATOM 124 C LYS A 11 -6.327 2.398 7.156 1.00 0.00 C ATOM 125 O LYS A 11 -5.100 2.495 7.213 1.00 0.00 O ATOM 126 CB LYS A 11 -7.026 4.745 6.626 1.00 0.00 C ATOM 127 CG LYS A 11 -8.312 5.209 5.958 1.00 0.00 C ATOM 128 CD LYS A 11 -8.494 6.713 6.078 1.00 0.00 C ATOM 129 CE LYS A 11 -7.627 7.462 5.078 1.00 0.00 C ATOM 130 NZ LYS A 11 -6.399 8.016 5.710 1.00 0.00 N ATOM 0 H LYS A 11 -6.482 4.864 9.038 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.261 3.229 7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.594 5.577 7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.305 4.468 5.856 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.298 4.927 4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.163 4.702 6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.541 6.968 5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.242 7.031 7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.346 6.790 4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.204 8.273 4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.469 9.053 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.301 7.633 6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.567 7.750 5.145 1.00 0.00 H new ATOM 144 N LYS A 12 -6.947 1.300 6.735 1.00 0.00 N ATOM 145 CA LYS A 12 -6.204 0.121 6.306 1.00 0.00 C ATOM 146 C LYS A 12 -5.850 0.209 4.825 1.00 0.00 C ATOM 147 O LYS A 12 -6.732 0.205 3.966 1.00 0.00 O ATOM 148 CB LYS A 12 -7.018 -1.147 6.573 1.00 0.00 C ATOM 149 CG LYS A 12 -7.059 -1.547 8.038 1.00 0.00 C ATOM 150 CD LYS A 12 -5.764 -2.217 8.471 1.00 0.00 C ATOM 151 CE LYS A 12 -5.439 -1.916 9.926 1.00 0.00 C ATOM 152 NZ LYS A 12 -4.982 -3.131 10.655 1.00 0.00 N ATOM 0 H LYS A 12 -7.961 1.202 6.682 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.279 0.078 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.037 -0.996 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.597 -1.968 5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.236 -0.664 8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.895 -2.226 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.847 -3.295 8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.946 -1.875 7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.664 -1.151 9.974 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.322 -1.508 10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.770 -2.884 11.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.731 -3.852 10.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.125 -3.506 10.201 1.00 0.00 H new ATOM 166 N VAL A 13 -4.556 0.290 4.534 1.00 0.00 N ATOM 167 CA VAL A 13 -4.087 0.380 3.157 1.00 0.00 C ATOM 168 C VAL A 13 -3.039 -0.689 2.863 1.00 0.00 C ATOM 169 O VAL A 13 -2.163 -0.956 3.686 1.00 0.00 O ATOM 170 CB VAL A 13 -3.489 1.767 2.857 1.00 0.00 C ATOM 171 CG1 VAL A 13 -4.577 2.829 2.854 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.402 2.109 3.866 1.00 0.00 C ATOM 0 H VAL A 13 -3.814 0.295 5.234 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.954 0.221 2.516 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.037 1.741 1.865 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.135 3.802 2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.316 2.590 2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.061 2.857 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.991 3.092 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.827 2.117 4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.609 1.363 3.813 1.00 0.00 H new ATOM 182 N ARG A 14 -3.136 -1.296 1.685 1.00 0.00 N ATOM 183 CA ARG A 14 -2.196 -2.337 1.283 1.00 0.00 C ATOM 184 C ARG A 14 -1.244 -1.825 0.205 1.00 0.00 C ATOM 185 O ARG A 14 -1.672 -1.228 -0.783 1.00 0.00 O ATOM 186 CB ARG A 14 -2.952 -3.566 0.772 1.00 0.00 C ATOM 187 CG ARG A 14 -2.408 -4.880 1.305 1.00 0.00 C ATOM 188 CD ARG A 14 -3.382 -6.023 1.070 1.00 0.00 C ATOM 189 NE ARG A 14 -2.769 -7.326 1.317 1.00 0.00 N ATOM 190 CZ ARG A 14 -2.638 -7.867 2.527 1.00 0.00 C ATOM 191 NH1 ARG A 14 -3.072 -7.221 3.602 1.00 0.00 N ATOM 192 NH2 ARG A 14 -2.069 -9.058 2.662 1.00 0.00 N ATOM 0 H ARG A 14 -3.855 -1.086 0.993 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.608 -2.618 2.157 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -4.002 -3.478 1.050 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.911 -3.581 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.458 -5.105 0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.207 -4.786 2.372 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.248 -5.901 1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.747 -5.983 0.044 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.421 -7.852 0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.509 -6.305 3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.969 -7.641 4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.732 -9.559 1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.968 -9.473 3.588 1.00 0.00 H new ATOM 206 N PHE A 15 0.048 -2.063 0.403 1.00 0.00 N ATOM 207 CA PHE A 15 1.061 -1.626 -0.551 1.00 0.00 C ATOM 208 C PHE A 15 1.849 -2.816 -1.088 1.00 0.00 C ATOM 209 O PHE A 15 2.308 -3.665 -0.324 1.00 0.00 O ATOM 210 CB PHE A 15 2.013 -0.624 0.105 1.00 0.00 C ATOM 211 CG PHE A 15 1.358 0.677 0.468 1.00 0.00 C ATOM 212 CD1 PHE A 15 0.655 1.403 -0.480 1.00 0.00 C ATOM 213 CD2 PHE A 15 1.447 1.175 1.758 1.00 0.00 C ATOM 214 CE1 PHE A 15 0.053 2.602 -0.148 1.00 0.00 C ATOM 215 CE2 PHE A 15 0.846 2.373 2.096 1.00 0.00 C ATOM 216 CZ PHE A 15 0.148 3.087 1.142 1.00 0.00 C ATOM 0 H PHE A 15 0.419 -2.556 1.215 1.00 0.00 H new ATOM 0 HA PHE A 15 0.554 -1.141 -1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.436 -1.072 1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.843 -0.427 -0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.577 1.028 -1.490 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.992 0.621 2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.491 3.159 -0.896 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.922 2.750 3.105 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.323 4.023 1.404 1.00 0.00 H new ATOM 226 N TYR A 16 2.004 -2.872 -2.407 1.00 0.00 N ATOM 227 CA TYR A 16 2.738 -3.958 -3.046 1.00 0.00 C ATOM 228 C TYR A 16 4.015 -3.442 -3.699 1.00 0.00 C ATOM 229 O TYR A 16 4.068 -2.306 -4.171 1.00 0.00 O ATOM 230 CB TYR A 16 1.859 -4.650 -4.089 1.00 0.00 C ATOM 231 CG TYR A 16 0.603 -5.262 -3.512 1.00 0.00 C ATOM 232 CD1 TYR A 16 -0.518 -4.483 -3.258 1.00 0.00 C ATOM 233 CD2 TYR A 16 0.539 -6.619 -3.222 1.00 0.00 C ATOM 234 CE1 TYR A 16 -1.668 -5.039 -2.729 1.00 0.00 C ATOM 235 CE2 TYR A 16 -0.607 -7.183 -2.695 1.00 0.00 C ATOM 236 CZ TYR A 16 -1.707 -6.389 -2.449 1.00 0.00 C ATOM 237 OH TYR A 16 -2.850 -6.946 -1.924 1.00 0.00 O ATOM 0 H TYR A 16 1.631 -2.178 -3.054 1.00 0.00 H new ATOM 0 HA TYR A 16 3.013 -4.680 -2.277 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.582 -3.927 -4.856 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.440 -5.430 -4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.491 -3.426 -3.477 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.399 -7.244 -3.412 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.531 -4.419 -2.536 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.641 -8.240 -2.477 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.598 -6.322 -2.033 1.00 0.00 H new ATOM 247 N ARG A 17 5.044 -4.284 -3.722 1.00 0.00 N ATOM 248 CA ARG A 17 6.322 -3.912 -4.317 1.00 0.00 C ATOM 249 C ARG A 17 6.251 -3.972 -5.839 1.00 0.00 C ATOM 250 O ARG A 17 6.003 -5.029 -6.420 1.00 0.00 O ATOM 251 CB ARG A 17 7.431 -4.837 -3.810 1.00 0.00 C ATOM 252 CG ARG A 17 8.786 -4.155 -3.699 1.00 0.00 C ATOM 253 CD ARG A 17 9.500 -4.532 -2.409 1.00 0.00 C ATOM 254 NE ARG A 17 10.590 -5.477 -2.641 1.00 0.00 N ATOM 255 CZ ARG A 17 10.419 -6.792 -2.774 1.00 0.00 C ATOM 256 NH1 ARG A 17 9.204 -7.323 -2.697 1.00 0.00 N ATOM 257 NH2 ARG A 17 11.466 -7.577 -2.984 1.00 0.00 N ATOM 0 H ARG A 17 5.017 -5.228 -3.336 1.00 0.00 H new ATOM 0 HA ARG A 17 6.548 -2.887 -4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.149 -5.228 -2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.517 -5.691 -4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.405 -4.433 -4.552 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.654 -3.074 -3.740 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.895 -3.632 -1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.784 -4.969 -1.713 1.00 0.00 H new ATOM 0 HE ARG A 17 11.539 -5.108 -2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.395 -6.724 -2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.080 -8.330 -2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 17 12.401 -7.175 -3.044 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.336 -8.584 -3.086 1.00 0.00 H new ATOM 271 N ASN A 18 6.470 -2.829 -6.482 1.00 0.00 N ATOM 272 CA ASN A 18 6.431 -2.748 -7.937 1.00 0.00 C ATOM 273 C ASN A 18 7.461 -3.685 -8.562 1.00 0.00 C ATOM 274 O ASN A 18 8.660 -3.404 -8.548 1.00 0.00 O ATOM 275 CB ASN A 18 6.687 -1.311 -8.395 1.00 0.00 C ATOM 276 CG ASN A 18 6.239 -1.072 -9.823 1.00 0.00 C ATOM 277 OD1 ASN A 18 5.563 -1.907 -10.423 1.00 0.00 O ATOM 278 ND2 ASN A 18 6.616 0.075 -10.377 1.00 0.00 N ATOM 0 H ASN A 18 6.677 -1.945 -6.017 1.00 0.00 H new ATOM 0 HA ASN A 18 5.439 -3.056 -8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.163 -0.622 -7.732 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.751 -1.089 -8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.345 0.291 -11.336 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.176 0.739 -9.843 1.00 0.00 H new ATOM 285 N GLY A 19 6.986 -4.799 -9.111 1.00 0.00 N ATOM 286 CA GLY A 19 7.878 -5.758 -9.734 1.00 0.00 C ATOM 287 C GLY A 19 7.715 -7.156 -9.170 1.00 0.00 C ATOM 288 O GLY A 19 7.976 -8.144 -9.856 1.00 0.00 O ATOM 0 H GLY A 19 5.999 -5.054 -9.135 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.691 -5.779 -10.808 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.909 -5.432 -9.597 1.00 0.00 H new ATOM 292 N ASP A 20 7.283 -7.239 -7.915 1.00 0.00 N ATOM 293 CA ASP A 20 7.087 -8.526 -7.258 1.00 0.00 C ATOM 294 C ASP A 20 5.650 -8.677 -6.774 1.00 0.00 C ATOM 295 O ASP A 20 5.059 -7.736 -6.242 1.00 0.00 O ATOM 296 CB ASP A 20 8.052 -8.673 -6.080 1.00 0.00 C ATOM 297 CG ASP A 20 8.400 -10.120 -5.794 1.00 0.00 C ATOM 298 OD1 ASP A 20 9.028 -10.763 -6.663 1.00 0.00 O ATOM 299 OD2 ASP A 20 8.046 -10.611 -4.702 1.00 0.00 O ATOM 0 H ASP A 20 7.062 -6.431 -7.334 1.00 0.00 H new ATOM 0 HA ASP A 20 7.290 -9.311 -7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.966 -8.118 -6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.606 -8.227 -5.191 1.00 0.00 H new ATOM 304 N ARG A 21 5.090 -9.868 -6.959 1.00 0.00 N ATOM 305 CA ARG A 21 3.720 -10.145 -6.540 1.00 0.00 C ATOM 306 C ARG A 21 3.695 -11.105 -5.355 1.00 0.00 C ATOM 307 O ARG A 21 2.787 -11.059 -4.526 1.00 0.00 O ATOM 308 CB ARG A 21 2.917 -10.730 -7.703 1.00 0.00 C ATOM 309 CG ARG A 21 3.457 -12.057 -8.210 1.00 0.00 C ATOM 310 CD ARG A 21 3.305 -12.179 -9.719 1.00 0.00 C ATOM 311 NE ARG A 21 4.050 -13.316 -10.253 1.00 0.00 N ATOM 312 CZ ARG A 21 4.304 -13.493 -11.548 1.00 0.00 C ATOM 313 NH1 ARG A 21 3.875 -12.610 -12.442 1.00 0.00 N ATOM 314 NH2 ARG A 21 4.990 -14.554 -11.950 1.00 0.00 N ATOM 0 H ARG A 21 5.564 -10.658 -7.397 1.00 0.00 H new ATOM 0 HA ARG A 21 3.265 -9.204 -6.230 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.883 -10.865 -7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.909 -10.013 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.509 -12.150 -7.940 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.929 -12.876 -7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.250 -12.287 -9.970 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.653 -11.262 -10.194 1.00 0.00 H new ATOM 0 HE ARG A 21 4.396 -14.015 -9.596 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.348 -11.791 -12.138 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.072 -12.750 -13.433 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.323 -15.235 -11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.185 -14.690 -12.942 1.00 0.00 H new ATOM 328 N TYR A 22 4.700 -11.973 -5.281 1.00 0.00 N ATOM 329 CA TYR A 22 4.793 -12.943 -4.196 1.00 0.00 C ATOM 330 C TYR A 22 4.859 -12.246 -2.838 1.00 0.00 C ATOM 331 O TYR A 22 4.548 -12.846 -1.808 1.00 0.00 O ATOM 332 CB TYR A 22 6.024 -13.832 -4.385 1.00 0.00 C ATOM 333 CG TYR A 22 6.093 -14.489 -5.746 1.00 0.00 C ATOM 334 CD1 TYR A 22 5.303 -15.592 -6.047 1.00 0.00 C ATOM 335 CD2 TYR A 22 6.948 -14.007 -6.729 1.00 0.00 C ATOM 336 CE1 TYR A 22 5.363 -16.195 -7.289 1.00 0.00 C ATOM 337 CE2 TYR A 22 7.014 -14.604 -7.972 1.00 0.00 C ATOM 338 CZ TYR A 22 6.220 -15.698 -8.248 1.00 0.00 C ATOM 339 OH TYR A 22 6.284 -16.296 -9.486 1.00 0.00 O ATOM 0 H TYR A 22 5.460 -12.024 -5.959 1.00 0.00 H new ATOM 0 HA TYR A 22 3.896 -13.561 -4.220 1.00 0.00 H new ATOM 0 HB2 TYR A 22 6.922 -13.232 -4.234 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.025 -14.605 -3.617 1.00 0.00 H new ATOM 0 HD1 TYR A 22 4.631 -15.984 -5.298 1.00 0.00 H new ATOM 0 HD2 TYR A 22 7.572 -13.151 -6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 22 4.742 -17.051 -7.507 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.684 -14.216 -8.725 1.00 0.00 H new ATOM 0 HH TYR A 22 6.936 -15.823 -10.044 1.00 0.00 H new ATOM 349 N PHE A 23 5.264 -10.979 -2.842 1.00 0.00 N ATOM 350 CA PHE A 23 5.368 -10.204 -1.611 1.00 0.00 C ATOM 351 C PHE A 23 4.039 -10.181 -0.858 1.00 0.00 C ATOM 352 O PHE A 23 4.008 -10.002 0.359 1.00 0.00 O ATOM 353 CB PHE A 23 5.813 -8.773 -1.923 1.00 0.00 C ATOM 354 CG PHE A 23 5.983 -7.915 -0.701 1.00 0.00 C ATOM 355 CD1 PHE A 23 6.885 -8.270 0.290 1.00 0.00 C ATOM 356 CD2 PHE A 23 5.243 -6.755 -0.544 1.00 0.00 C ATOM 357 CE1 PHE A 23 7.045 -7.483 1.414 1.00 0.00 C ATOM 358 CE2 PHE A 23 5.398 -5.964 0.578 1.00 0.00 C ATOM 359 CZ PHE A 23 6.300 -6.328 1.559 1.00 0.00 C ATOM 0 H PHE A 23 5.525 -10.468 -3.685 1.00 0.00 H new ATOM 0 HA PHE A 23 6.113 -10.683 -0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.757 -8.806 -2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.080 -8.309 -2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.469 -9.172 0.182 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.536 -6.465 -1.308 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.752 -7.770 2.179 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.815 -5.062 0.688 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.423 -5.711 2.437 1.00 0.00 H new ATOM 369 N LYS A 24 2.944 -10.366 -1.589 1.00 0.00 N ATOM 370 CA LYS A 24 1.613 -10.366 -0.991 1.00 0.00 C ATOM 371 C LYS A 24 1.274 -8.999 -0.400 1.00 0.00 C ATOM 372 O LYS A 24 0.416 -8.888 0.476 1.00 0.00 O ATOM 373 CB LYS A 24 1.518 -11.441 0.096 1.00 0.00 C ATOM 374 CG LYS A 24 1.898 -12.831 -0.390 1.00 0.00 C ATOM 375 CD LYS A 24 2.866 -13.513 0.564 1.00 0.00 C ATOM 376 CE LYS A 24 2.150 -14.487 1.487 1.00 0.00 C ATOM 377 NZ LYS A 24 2.534 -14.287 2.912 1.00 0.00 N ATOM 0 H LYS A 24 2.952 -10.518 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 24 0.893 -10.588 -1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.168 -11.165 0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.499 -11.466 0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.999 -13.439 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.350 -12.760 -1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.627 -14.045 -0.007 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.383 -12.760 1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.072 -14.362 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.384 -15.509 1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.024 -14.970 3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.558 -14.431 3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.288 -13.320 3.205 1.00 0.00 H new ATOM 391 N GLY A 25 1.950 -7.961 -0.884 1.00 0.00 N ATOM 392 CA GLY A 25 1.703 -6.618 -0.393 1.00 0.00 C ATOM 393 C GLY A 25 1.849 -6.509 1.113 1.00 0.00 C ATOM 394 O GLY A 25 2.019 -7.516 1.801 1.00 0.00 O ATOM 0 H GLY A 25 2.665 -8.027 -1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.397 -5.927 -0.872 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.697 -6.310 -0.680 1.00 0.00 H new ATOM 398 N ILE A 26 1.781 -5.284 1.625 1.00 0.00 N ATOM 399 CA ILE A 26 1.906 -5.045 3.058 1.00 0.00 C ATOM 400 C ILE A 26 0.818 -4.097 3.551 1.00 0.00 C ATOM 401 O ILE A 26 0.441 -3.153 2.855 1.00 0.00 O ATOM 402 CB ILE A 26 3.289 -4.460 3.411 1.00 0.00 C ATOM 403 CG1 ILE A 26 3.433 -4.307 4.927 1.00 0.00 C ATOM 404 CG2 ILE A 26 3.495 -3.122 2.717 1.00 0.00 C ATOM 405 CD1 ILE A 26 4.777 -3.758 5.354 1.00 0.00 C ATOM 0 H ILE A 26 1.640 -4.441 1.068 1.00 0.00 H new ATOM 0 HA ILE A 26 1.794 -6.009 3.554 1.00 0.00 H new ATOM 0 HB ILE A 26 4.056 -5.150 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.647 -3.647 5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.280 -5.278 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.476 -2.724 2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.434 -3.259 1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.723 -2.423 3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.808 -3.676 6.440 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.568 -4.429 5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.925 -2.773 4.912 1.00 0.00 H new ATOM 417 N VAL A 27 0.316 -4.353 4.754 1.00 0.00 N ATOM 418 CA VAL A 27 -0.729 -3.523 5.339 1.00 0.00 C ATOM 419 C VAL A 27 -0.138 -2.291 6.015 1.00 0.00 C ATOM 420 O VAL A 27 0.990 -2.321 6.507 1.00 0.00 O ATOM 421 CB VAL A 27 -1.563 -4.310 6.367 1.00 0.00 C ATOM 422 CG1 VAL A 27 -2.742 -3.478 6.852 1.00 0.00 C ATOM 423 CG2 VAL A 27 -2.041 -5.626 5.773 1.00 0.00 C ATOM 0 H VAL A 27 0.617 -5.130 5.343 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.378 -3.209 4.522 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.928 -4.533 7.225 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.318 -4.052 7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.375 -2.565 7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.378 -3.220 6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.628 -6.168 6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.658 -5.427 4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.180 -6.228 5.482 1.00 0.00 H new ATOM 433 N TYR A 28 -0.908 -1.208 6.036 1.00 0.00 N ATOM 434 CA TYR A 28 -0.463 0.036 6.653 1.00 0.00 C ATOM 435 C TYR A 28 -1.641 0.796 7.256 1.00 0.00 C ATOM 436 O TYR A 28 -2.687 0.942 6.623 1.00 0.00 O ATOM 437 CB TYR A 28 0.252 0.914 5.622 1.00 0.00 C ATOM 438 CG TYR A 28 1.758 0.780 5.655 1.00 0.00 C ATOM 439 CD1 TYR A 28 2.404 -0.209 4.924 1.00 0.00 C ATOM 440 CD2 TYR A 28 2.534 1.645 6.418 1.00 0.00 C ATOM 441 CE1 TYR A 28 3.780 -0.333 4.951 1.00 0.00 C ATOM 442 CE2 TYR A 28 3.911 1.528 6.450 1.00 0.00 C ATOM 443 CZ TYR A 28 4.528 0.537 5.717 1.00 0.00 C ATOM 444 OH TYR A 28 5.899 0.417 5.746 1.00 0.00 O ATOM 0 H TYR A 28 -1.844 -1.167 5.632 1.00 0.00 H new ATOM 0 HA TYR A 28 0.234 -0.213 7.454 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.106 0.655 4.626 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.016 1.956 5.796 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.821 -0.892 4.325 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.053 2.421 6.995 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.267 -1.107 4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.500 2.209 7.046 1.00 0.00 H new ATOM 0 HH TYR A 28 6.233 0.691 6.626 1.00 0.00 H new ATOM 454 N ALA A 29 -1.464 1.276 8.482 1.00 0.00 N ATOM 455 CA ALA A 29 -2.513 2.019 9.169 1.00 0.00 C ATOM 456 C ALA A 29 -2.272 3.523 9.077 1.00 0.00 C ATOM 457 O ALA A 29 -1.260 4.030 9.561 1.00 0.00 O ATOM 458 CB ALA A 29 -2.602 1.582 10.625 1.00 0.00 C ATOM 0 H ALA A 29 -0.605 1.164 9.020 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.461 1.800 8.678 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.389 2.145 11.126 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.831 0.517 10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.650 1.771 11.120 1.00 0.00 H new ATOM 464 N ILE A 30 -3.208 4.229 8.452 1.00 0.00 N ATOM 465 CA ILE A 30 -3.097 5.675 8.297 1.00 0.00 C ATOM 466 C ILE A 30 -3.920 6.404 9.353 1.00 0.00 C ATOM 467 O ILE A 30 -5.108 6.662 9.161 1.00 0.00 O ATOM 468 CB ILE A 30 -3.560 6.128 6.900 1.00 0.00 C ATOM 469 CG1 ILE A 30 -2.909 5.267 5.817 1.00 0.00 C ATOM 470 CG2 ILE A 30 -3.233 7.598 6.684 1.00 0.00 C ATOM 471 CD1 ILE A 30 -1.404 5.410 5.754 1.00 0.00 C ATOM 0 H ILE A 30 -4.051 3.824 8.045 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.044 5.927 8.421 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.641 6.003 6.835 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.159 4.221 5.996 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.332 5.534 4.849 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.566 7.903 5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.741 8.198 7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.156 7.747 6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.011 4.771 4.964 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.146 6.448 5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.970 5.114 6.709 1.00 0.00 H new ATOM 483 N SER A 31 -3.280 6.735 10.470 1.00 0.00 N ATOM 484 CA SER A 31 -3.953 7.435 11.558 1.00 0.00 C ATOM 485 C SER A 31 -3.161 8.670 11.983 1.00 0.00 C ATOM 486 O SER A 31 -1.948 8.738 11.787 1.00 0.00 O ATOM 487 CB SER A 31 -4.142 6.500 12.753 1.00 0.00 C ATOM 488 OG SER A 31 -5.388 6.730 13.389 1.00 0.00 O ATOM 0 H SER A 31 -2.296 6.530 10.645 1.00 0.00 H new ATOM 0 HA SER A 31 -4.931 7.758 11.200 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.086 5.464 12.420 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.332 6.650 13.467 1.00 0.00 H new ATOM 0 HG SER A 31 -5.485 6.119 14.149 1.00 0.00 H new ATOM 494 N PRO A 32 -3.842 9.667 12.574 1.00 0.00 N ATOM 495 CA PRO A 32 -3.197 10.904 13.026 1.00 0.00 C ATOM 496 C PRO A 32 -2.002 10.634 13.934 1.00 0.00 C ATOM 497 O PRO A 32 -1.032 11.394 13.943 1.00 0.00 O ATOM 498 CB PRO A 32 -4.305 11.622 13.801 1.00 0.00 C ATOM 499 CG PRO A 32 -5.574 11.093 13.228 1.00 0.00 C ATOM 500 CD PRO A 32 -5.292 9.668 12.846 1.00 0.00 C ATOM 0 HA PRO A 32 -2.798 11.483 12.193 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.237 11.417 14.869 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.236 12.703 13.679 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.384 11.149 13.955 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.883 11.676 12.360 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.551 8.978 13.649 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.865 9.366 11.970 1.00 0.00 H new ATOM 508 N ASP A 33 -2.077 9.549 14.697 1.00 0.00 N ATOM 509 CA ASP A 33 -0.999 9.181 15.609 1.00 0.00 C ATOM 510 C ASP A 33 -0.106 8.109 14.992 1.00 0.00 C ATOM 511 O ASP A 33 0.464 7.280 15.701 1.00 0.00 O ATOM 512 CB ASP A 33 -1.574 8.681 16.935 1.00 0.00 C ATOM 513 CG ASP A 33 -1.731 9.794 17.953 1.00 0.00 C ATOM 514 OD1 ASP A 33 -2.034 10.934 17.545 1.00 0.00 O ATOM 515 OD2 ASP A 33 -1.548 9.525 19.160 1.00 0.00 O ATOM 0 H ASP A 33 -2.872 8.909 14.703 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.394 10.069 15.794 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.544 8.217 16.755 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.922 7.909 17.343 1.00 0.00 H new ATOM 520 N ARG A 34 0.011 8.133 13.669 1.00 0.00 N ATOM 521 CA ARG A 34 0.834 7.163 12.957 1.00 0.00 C ATOM 522 C ARG A 34 1.607 7.835 11.826 1.00 0.00 C ATOM 523 O ARG A 34 2.811 7.628 11.674 1.00 0.00 O ATOM 524 CB ARG A 34 -0.035 6.033 12.403 1.00 0.00 C ATOM 525 CG ARG A 34 0.191 4.700 13.096 1.00 0.00 C ATOM 526 CD ARG A 34 -1.086 3.875 13.149 1.00 0.00 C ATOM 527 NE ARG A 34 -1.863 4.147 14.357 1.00 0.00 N ATOM 528 CZ ARG A 34 -1.584 3.628 15.550 1.00 0.00 C ATOM 529 NH1 ARG A 34 -0.545 2.814 15.702 1.00 0.00 N ATOM 530 NH2 ARG A 34 -2.343 3.924 16.597 1.00 0.00 N ATOM 0 H ARG A 34 -0.454 8.814 13.068 1.00 0.00 H new ATOM 0 HA ARG A 34 1.551 6.743 13.662 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.084 6.311 12.501 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.167 5.919 11.338 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.965 4.141 12.569 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.556 4.872 14.108 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.694 4.091 12.270 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.835 2.815 13.110 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.666 4.771 14.281 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.044 2.584 14.902 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.336 2.419 16.619 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.141 4.550 16.488 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.129 3.526 17.511 1.00 0.00 H new ATOM 544 N PHE A 35 0.906 8.640 11.034 1.00 0.00 N ATOM 545 CA PHE A 35 1.524 9.343 9.917 1.00 0.00 C ATOM 546 C PHE A 35 0.866 10.701 9.698 1.00 0.00 C ATOM 547 O PHE A 35 -0.113 10.816 8.961 1.00 0.00 O ATOM 548 CB PHE A 35 1.424 8.505 8.640 1.00 0.00 C ATOM 549 CG PHE A 35 1.959 7.109 8.795 1.00 0.00 C ATOM 550 CD1 PHE A 35 3.322 6.884 8.901 1.00 0.00 C ATOM 551 CD2 PHE A 35 1.099 6.024 8.833 1.00 0.00 C ATOM 552 CE1 PHE A 35 3.817 5.600 9.042 1.00 0.00 C ATOM 553 CE2 PHE A 35 1.588 4.739 8.974 1.00 0.00 C ATOM 554 CZ PHE A 35 2.948 4.527 9.080 1.00 0.00 C ATOM 0 H PHE A 35 -0.091 8.821 11.146 1.00 0.00 H new ATOM 0 HA PHE A 35 2.575 9.502 10.158 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.380 8.453 8.330 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.969 9.008 7.841 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.005 7.720 8.873 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.034 6.184 8.752 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.882 5.437 9.122 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.907 3.901 9.001 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.332 3.524 9.192 1.00 0.00 H new ATOM 564 N ARG A 36 1.409 11.727 10.345 1.00 0.00 N ATOM 565 CA ARG A 36 0.873 13.078 10.222 1.00 0.00 C ATOM 566 C ARG A 36 0.964 13.570 8.782 1.00 0.00 C ATOM 567 O ARG A 36 0.008 14.131 8.246 1.00 0.00 O ATOM 568 CB ARG A 36 1.627 14.034 11.150 1.00 0.00 C ATOM 569 CG ARG A 36 0.721 15.012 11.881 1.00 0.00 C ATOM 570 CD ARG A 36 0.475 16.269 11.061 1.00 0.00 C ATOM 571 NE ARG A 36 0.855 17.479 11.786 1.00 0.00 N ATOM 572 CZ ARG A 36 0.993 18.673 11.215 1.00 0.00 C ATOM 573 NH1 ARG A 36 0.782 18.823 9.913 1.00 0.00 N ATOM 574 NH2 ARG A 36 1.342 19.722 11.948 1.00 0.00 N ATOM 0 H ARG A 36 2.219 11.649 10.960 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.177 13.054 10.512 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.185 13.451 11.883 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.357 14.595 10.566 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.231 14.530 12.103 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.172 15.282 12.836 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.040 16.211 10.131 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.579 16.325 10.790 1.00 0.00 H new ATOM 0 HE ARG A 36 1.025 17.404 12.789 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.512 18.020 9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.889 19.741 9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.505 19.613 12.949 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.448 20.637 11.511 1.00 0.00 H new ATOM 588 N SER A 37 2.118 13.356 8.159 1.00 0.00 N ATOM 589 CA SER A 37 2.333 13.778 6.779 1.00 0.00 C ATOM 590 C SER A 37 2.789 12.606 5.917 1.00 0.00 C ATOM 591 O SER A 37 2.987 11.496 6.414 1.00 0.00 O ATOM 592 CB SER A 37 3.370 14.901 6.724 1.00 0.00 C ATOM 593 OG SER A 37 3.371 15.654 7.923 1.00 0.00 O ATOM 0 H SER A 37 2.919 12.893 8.588 1.00 0.00 H new ATOM 0 HA SER A 37 1.386 14.148 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.360 14.478 6.556 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.156 15.556 5.880 1.00 0.00 H new ATOM 0 HG SER A 37 4.044 16.364 7.863 1.00 0.00 H new ATOM 599 N PHE A 38 2.956 12.860 4.623 1.00 0.00 N ATOM 600 CA PHE A 38 3.390 11.824 3.691 1.00 0.00 C ATOM 601 C PHE A 38 4.842 11.433 3.950 1.00 0.00 C ATOM 602 O PHE A 38 5.232 10.285 3.741 1.00 0.00 O ATOM 603 CB PHE A 38 3.229 12.308 2.249 1.00 0.00 C ATOM 604 CG PHE A 38 3.173 11.192 1.245 1.00 0.00 C ATOM 605 CD1 PHE A 38 2.270 10.152 1.395 1.00 0.00 C ATOM 606 CD2 PHE A 38 4.023 11.184 0.150 1.00 0.00 C ATOM 607 CE1 PHE A 38 2.215 9.123 0.474 1.00 0.00 C ATOM 608 CE2 PHE A 38 3.973 10.158 -0.775 1.00 0.00 C ATOM 609 CZ PHE A 38 3.069 9.127 -0.613 1.00 0.00 C ATOM 0 H PHE A 38 2.798 13.773 4.196 1.00 0.00 H new ATOM 0 HA PHE A 38 2.764 10.945 3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.317 12.901 2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.060 12.968 2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.601 10.145 2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.732 11.988 0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.507 8.318 0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.641 10.163 -1.624 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.029 8.325 -1.335 1.00 0.00 H new ATOM 619 N GLU A 39 5.636 12.397 4.406 1.00 0.00 N ATOM 620 CA GLU A 39 7.044 12.153 4.694 1.00 0.00 C ATOM 621 C GLU A 39 7.201 11.108 5.794 1.00 0.00 C ATOM 622 O GLU A 39 8.168 10.346 5.806 1.00 0.00 O ATOM 623 CB GLU A 39 7.734 13.455 5.108 1.00 0.00 C ATOM 624 CG GLU A 39 8.443 14.159 3.963 1.00 0.00 C ATOM 625 CD GLU A 39 9.941 14.264 4.178 1.00 0.00 C ATOM 626 OE1 GLU A 39 10.354 14.649 5.292 1.00 0.00 O ATOM 627 OE2 GLU A 39 10.699 13.960 3.234 1.00 0.00 O ATOM 0 H GLU A 39 5.328 13.353 4.584 1.00 0.00 H new ATOM 0 HA GLU A 39 7.515 11.773 3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.992 14.130 5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.457 13.239 5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.250 13.620 3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.026 15.159 3.843 1.00 0.00 H new ATOM 634 N ALA A 40 6.245 11.078 6.716 1.00 0.00 N ATOM 635 CA ALA A 40 6.276 10.127 7.820 1.00 0.00 C ATOM 636 C ALA A 40 5.947 8.717 7.341 1.00 0.00 C ATOM 637 O ALA A 40 6.444 7.733 7.887 1.00 0.00 O ATOM 638 CB ALA A 40 5.308 10.555 8.912 1.00 0.00 C ATOM 0 H ALA A 40 5.438 11.702 6.720 1.00 0.00 H new ATOM 0 HA ALA A 40 7.286 10.116 8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.341 9.836 9.730 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.591 11.540 9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.297 10.596 8.506 1.00 0.00 H new ATOM 644 N LEU A 41 5.104 8.627 6.316 1.00 0.00 N ATOM 645 CA LEU A 41 4.708 7.338 5.764 1.00 0.00 C ATOM 646 C LEU A 41 5.768 6.807 4.804 1.00 0.00 C ATOM 647 O LEU A 41 6.074 5.615 4.798 1.00 0.00 O ATOM 648 CB LEU A 41 3.365 7.459 5.042 1.00 0.00 C ATOM 649 CG LEU A 41 2.735 6.131 4.620 1.00 0.00 C ATOM 650 CD1 LEU A 41 1.921 5.541 5.760 1.00 0.00 C ATOM 651 CD2 LEU A 41 1.865 6.323 3.386 1.00 0.00 C ATOM 0 H LEU A 41 4.683 9.432 5.852 1.00 0.00 H new ATOM 0 HA LEU A 41 4.607 6.634 6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.666 7.985 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.501 8.077 4.155 1.00 0.00 H new ATOM 0 HG LEU A 41 3.535 5.433 4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.480 4.596 5.441 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.570 5.368 6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.128 6.235 6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.424 5.368 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.072 7.037 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.475 6.702 2.566 1.00 0.00 H new ATOM 663 N LEU A 42 6.327 7.701 3.994 1.00 0.00 N ATOM 664 CA LEU A 42 7.353 7.323 3.030 1.00 0.00 C ATOM 665 C LEU A 42 8.570 6.731 3.734 1.00 0.00 C ATOM 666 O LEU A 42 9.255 5.867 3.188 1.00 0.00 O ATOM 667 CB LEU A 42 7.771 8.536 2.196 1.00 0.00 C ATOM 668 CG LEU A 42 6.706 9.055 1.230 1.00 0.00 C ATOM 669 CD1 LEU A 42 7.050 10.461 0.759 1.00 0.00 C ATOM 670 CD2 LEU A 42 6.561 8.115 0.043 1.00 0.00 C ATOM 0 H LEU A 42 6.086 8.692 3.987 1.00 0.00 H new ATOM 0 HA LEU A 42 6.933 6.564 2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.051 9.344 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.662 8.275 1.625 1.00 0.00 H new ATOM 0 HG LEU A 42 5.753 9.094 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.280 10.813 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.103 11.130 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.013 10.448 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.799 8.500 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.513 8.045 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.267 7.126 0.396 1.00 0.00 H new ATOM 682 N ALA A 43 8.832 7.202 4.948 1.00 0.00 N ATOM 683 CA ALA A 43 9.966 6.720 5.727 1.00 0.00 C ATOM 684 C ALA A 43 9.795 5.249 6.093 1.00 0.00 C ATOM 685 O ALA A 43 10.681 4.431 5.845 1.00 0.00 O ATOM 686 CB ALA A 43 10.138 7.561 6.984 1.00 0.00 C ATOM 0 H ALA A 43 8.274 7.917 5.414 1.00 0.00 H new ATOM 0 HA ALA A 43 10.862 6.814 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.988 7.190 7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.314 8.600 6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.235 7.496 7.592 1.00 0.00 H new ATOM 692 N ASP A 44 8.650 4.921 6.683 1.00 0.00 N ATOM 693 CA ASP A 44 8.363 3.549 7.083 1.00 0.00 C ATOM 694 C ASP A 44 8.280 2.632 5.866 1.00 0.00 C ATOM 695 O ASP A 44 8.758 1.498 5.898 1.00 0.00 O ATOM 696 CB ASP A 44 7.052 3.489 7.870 1.00 0.00 C ATOM 697 CG ASP A 44 6.995 2.302 8.811 1.00 0.00 C ATOM 698 OD1 ASP A 44 6.988 1.154 8.318 1.00 0.00 O ATOM 699 OD2 ASP A 44 6.955 2.519 10.040 1.00 0.00 O ATOM 0 H ASP A 44 7.906 5.587 6.894 1.00 0.00 H new ATOM 0 HA ASP A 44 9.178 3.205 7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.933 4.409 8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.215 3.437 7.173 1.00 0.00 H new ATOM 704 N LEU A 45 7.670 3.130 4.797 1.00 0.00 N ATOM 705 CA LEU A 45 7.522 2.357 3.569 1.00 0.00 C ATOM 706 C LEU A 45 8.885 1.971 3.001 1.00 0.00 C ATOM 707 O LEU A 45 9.052 0.887 2.444 1.00 0.00 O ATOM 708 CB LEU A 45 6.731 3.154 2.531 1.00 0.00 C ATOM 709 CG LEU A 45 5.211 3.036 2.645 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.528 4.040 1.731 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.761 1.620 2.316 1.00 0.00 C ATOM 0 H LEU A 45 7.269 4.067 4.755 1.00 0.00 H new ATOM 0 HA LEU A 45 6.976 1.444 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.006 4.205 2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.032 2.825 1.536 1.00 0.00 H new ATOM 0 HG LEU A 45 4.924 3.258 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.447 3.941 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.826 5.050 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.821 3.850 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.676 1.554 2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.060 1.370 1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.224 0.920 3.012 1.00 0.00 H new ATOM 723 N THR A 46 9.857 2.866 3.147 1.00 0.00 N ATOM 724 CA THR A 46 11.204 2.619 2.648 1.00 0.00 C ATOM 725 C THR A 46 11.925 1.591 3.514 1.00 0.00 C ATOM 726 O THR A 46 12.759 0.828 3.026 1.00 0.00 O ATOM 727 CB THR A 46 12.005 3.922 2.612 1.00 0.00 C ATOM 728 OG1 THR A 46 11.298 4.924 1.903 1.00 0.00 O ATOM 729 CG2 THR A 46 13.363 3.771 1.962 1.00 0.00 C ATOM 0 H THR A 46 9.736 3.768 3.607 1.00 0.00 H new ATOM 0 HA THR A 46 11.122 2.223 1.636 1.00 0.00 H new ATOM 0 HB THR A 46 12.149 4.203 3.655 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.643 5.345 2.498 1.00 0.00 H new ATOM 0 HG21 THR A 46 13.879 4.731 1.969 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.952 3.039 2.515 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.238 3.434 0.933 1.00 0.00 H new ATOM 737 N ARG A 47 11.599 1.576 4.802 1.00 0.00 N ATOM 738 CA ARG A 47 12.216 0.643 5.737 1.00 0.00 C ATOM 739 C ARG A 47 11.937 -0.801 5.330 1.00 0.00 C ATOM 740 O ARG A 47 12.752 -1.692 5.569 1.00 0.00 O ATOM 741 CB ARG A 47 11.699 0.893 7.155 1.00 0.00 C ATOM 742 CG ARG A 47 12.699 0.525 8.240 1.00 0.00 C ATOM 743 CD ARG A 47 12.835 1.629 9.279 1.00 0.00 C ATOM 744 NE ARG A 47 14.234 1.962 9.543 1.00 0.00 N ATOM 745 CZ ARG A 47 14.984 2.705 8.733 1.00 0.00 C ATOM 746 NH1 ARG A 47 14.474 3.197 7.611 1.00 0.00 N ATOM 747 NH2 ARG A 47 16.247 2.960 9.047 1.00 0.00 N ATOM 0 H ARG A 47 10.910 2.200 5.222 1.00 0.00 H new ATOM 0 HA ARG A 47 13.294 0.806 5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.436 1.946 7.257 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.784 0.320 7.306 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.383 -0.397 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.671 0.329 7.788 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.309 2.519 8.933 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.356 1.315 10.206 1.00 0.00 H new ATOM 0 HE ARG A 47 14.660 1.604 10.398 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.502 3.006 7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.054 3.766 6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.644 2.587 9.909 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.822 3.530 8.426 1.00 0.00 H new ATOM 761 N THR A 48 10.781 -1.024 4.714 1.00 0.00 N ATOM 762 CA THR A 48 10.395 -2.360 4.274 1.00 0.00 C ATOM 763 C THR A 48 10.446 -2.467 2.754 1.00 0.00 C ATOM 764 O THR A 48 11.244 -3.225 2.201 1.00 0.00 O ATOM 765 CB THR A 48 8.989 -2.697 4.773 1.00 0.00 C ATOM 766 OG1 THR A 48 8.133 -1.574 4.658 1.00 0.00 O ATOM 767 CG2 THR A 48 8.959 -3.148 6.217 1.00 0.00 C ATOM 0 H THR A 48 10.095 -0.297 4.508 1.00 0.00 H new ATOM 0 HA THR A 48 11.104 -3.073 4.695 1.00 0.00 H new ATOM 0 HB THR A 48 8.649 -3.520 4.144 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.238 -1.810 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.932 -3.371 6.507 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.571 -4.043 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.352 -2.356 6.854 1.00 0.00 H new ATOM 775 N LEU A 49 9.590 -1.705 2.081 1.00 0.00 N ATOM 776 CA LEU A 49 9.537 -1.714 0.624 1.00 0.00 C ATOM 777 C LEU A 49 10.782 -1.060 0.032 1.00 0.00 C ATOM 778 O LEU A 49 10.706 0.012 -0.570 1.00 0.00 O ATOM 779 CB LEU A 49 8.281 -0.991 0.134 1.00 0.00 C ATOM 780 CG LEU A 49 6.958 -1.638 0.547 1.00 0.00 C ATOM 781 CD1 LEU A 49 5.794 -0.701 0.264 1.00 0.00 C ATOM 782 CD2 LEU A 49 6.765 -2.962 -0.176 1.00 0.00 C ATOM 0 H LEU A 49 8.923 -1.073 2.523 1.00 0.00 H new ATOM 0 HA LEU A 49 9.501 -2.751 0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.300 0.032 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.315 -0.933 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 49 6.989 -1.832 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.861 -1.178 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.926 0.223 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.759 -0.475 -0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.819 -3.409 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.755 -2.791 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.583 -3.637 0.076 1.00 0.00 H new ATOM 794 N SER A 50 11.927 -1.711 0.207 1.00 0.00 N ATOM 795 CA SER A 50 13.188 -1.192 -0.311 1.00 0.00 C ATOM 796 C SER A 50 14.330 -2.168 -0.043 1.00 0.00 C ATOM 797 O SER A 50 14.766 -2.331 1.097 1.00 0.00 O ATOM 798 CB SER A 50 13.503 0.165 0.322 1.00 0.00 C ATOM 799 OG SER A 50 14.417 0.899 -0.473 1.00 0.00 O ATOM 0 H SER A 50 12.008 -2.598 0.703 1.00 0.00 H new ATOM 0 HA SER A 50 13.086 -1.068 -1.389 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.582 0.736 0.443 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.920 0.017 1.318 1.00 0.00 H new ATOM 0 HG SER A 50 14.435 0.527 -1.379 1.00 0.00 H new ATOM 805 N ASP A 51 14.810 -2.814 -1.100 1.00 0.00 N ATOM 806 CA ASP A 51 15.902 -3.773 -0.978 1.00 0.00 C ATOM 807 C ASP A 51 17.058 -3.403 -1.901 1.00 0.00 C ATOM 808 O ASP A 51 18.103 -2.937 -1.448 1.00 0.00 O ATOM 809 CB ASP A 51 15.407 -5.184 -1.301 1.00 0.00 C ATOM 810 CG ASP A 51 14.368 -5.673 -0.313 1.00 0.00 C ATOM 811 OD1 ASP A 51 14.521 -5.396 0.896 1.00 0.00 O ATOM 812 OD2 ASP A 51 13.399 -6.332 -0.746 1.00 0.00 O ATOM 0 H ASP A 51 14.460 -2.691 -2.050 1.00 0.00 H new ATOM 0 HA ASP A 51 16.261 -3.748 0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.983 -5.196 -2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 51 16.253 -5.871 -1.304 1.00 0.00 H new ATOM 817 N ASN A 52 16.864 -3.612 -3.199 1.00 0.00 N ATOM 818 CA ASN A 52 17.891 -3.299 -4.186 1.00 0.00 C ATOM 819 C ASN A 52 17.374 -3.528 -5.603 1.00 0.00 C ATOM 820 O ASN A 52 17.408 -2.627 -6.440 1.00 0.00 O ATOM 821 CB ASN A 52 19.138 -4.151 -3.941 1.00 0.00 C ATOM 822 CG ASN A 52 20.421 -3.373 -4.155 1.00 0.00 C ATOM 823 OD1 ASN A 52 21.345 -3.440 -3.344 1.00 0.00 O ATOM 824 ND2 ASN A 52 20.485 -2.627 -5.253 1.00 0.00 N ATOM 0 H ASN A 52 16.005 -3.997 -3.592 1.00 0.00 H new ATOM 0 HA ASN A 52 18.152 -2.246 -4.081 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.116 -4.537 -2.922 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.123 -5.012 -4.609 1.00 0.00 H new ATOM 0 HD21 ASN A 52 21.324 -2.081 -5.450 1.00 0.00 H new ATOM 0 HD22 ASN A 52 19.696 -2.601 -5.898 1.00 0.00 H new ATOM 831 N VAL A 53 16.895 -4.740 -5.864 1.00 0.00 N ATOM 832 CA VAL A 53 16.371 -5.087 -7.180 1.00 0.00 C ATOM 833 C VAL A 53 15.086 -4.322 -7.478 1.00 0.00 C ATOM 834 O VAL A 53 14.949 -3.706 -8.536 1.00 0.00 O ATOM 835 CB VAL A 53 16.095 -6.598 -7.293 1.00 0.00 C ATOM 836 CG1 VAL A 53 15.740 -6.971 -8.724 1.00 0.00 C ATOM 837 CG2 VAL A 53 17.294 -7.398 -6.807 1.00 0.00 C ATOM 0 H VAL A 53 16.859 -5.498 -5.182 1.00 0.00 H new ATOM 0 HA VAL A 53 17.133 -4.809 -7.908 1.00 0.00 H new ATOM 0 HB VAL A 53 15.244 -6.841 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.548 -8.042 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 53 14.848 -6.425 -9.032 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.569 -6.713 -9.383 1.00 0.00 H new ATOM 0 HG21 VAL A 53 17.080 -8.463 -6.894 1.00 0.00 H new ATOM 0 HG22 VAL A 53 18.166 -7.152 -7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.496 -7.153 -5.764 1.00 0.00 H new ATOM 847 N ASN A 54 14.146 -4.364 -6.540 1.00 0.00 N ATOM 848 CA ASN A 54 12.871 -3.674 -6.702 1.00 0.00 C ATOM 849 C ASN A 54 13.055 -2.162 -6.620 1.00 0.00 C ATOM 850 O ASN A 54 12.993 -1.464 -7.631 1.00 0.00 O ATOM 851 CB ASN A 54 11.878 -4.136 -5.634 1.00 0.00 C ATOM 852 CG ASN A 54 11.308 -5.510 -5.930 1.00 0.00 C ATOM 853 OD1 ASN A 54 10.283 -5.638 -6.601 1.00 0.00 O ATOM 854 ND2 ASN A 54 11.971 -6.545 -5.429 1.00 0.00 N ATOM 0 H ASN A 54 14.243 -4.869 -5.659 1.00 0.00 H new ATOM 0 HA ASN A 54 12.476 -3.921 -7.688 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.374 -4.153 -4.664 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.063 -3.415 -5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.636 -7.494 -5.594 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.816 -6.391 -4.879 1.00 0.00 H new ATOM 861 N LEU A 55 13.282 -1.663 -5.409 1.00 0.00 N ATOM 862 CA LEU A 55 13.476 -0.234 -5.195 1.00 0.00 C ATOM 863 C LEU A 55 14.754 0.031 -4.402 1.00 0.00 C ATOM 864 O LEU A 55 14.738 0.043 -3.171 1.00 0.00 O ATOM 865 CB LEU A 55 12.274 0.361 -4.457 1.00 0.00 C ATOM 866 CG LEU A 55 10.910 -0.163 -4.913 1.00 0.00 C ATOM 867 CD1 LEU A 55 10.341 -1.135 -3.890 1.00 0.00 C ATOM 868 CD2 LEU A 55 9.945 0.990 -5.148 1.00 0.00 C ATOM 0 H LEU A 55 13.336 -2.227 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 55 13.569 0.243 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.386 0.161 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.290 1.444 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 55 11.045 -0.695 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.371 -1.497 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.021 -1.978 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.222 -0.627 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.981 0.597 -5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.816 1.551 -4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.346 1.649 -5.919 1.00 0.00 H new ATOM 880 N PRO A 56 15.883 0.248 -5.099 1.00 0.00 N ATOM 881 CA PRO A 56 17.172 0.513 -4.451 1.00 0.00 C ATOM 882 C PRO A 56 17.198 1.865 -3.746 1.00 0.00 C ATOM 883 O PRO A 56 17.938 2.058 -2.781 1.00 0.00 O ATOM 884 CB PRO A 56 18.169 0.497 -5.613 1.00 0.00 C ATOM 885 CG PRO A 56 17.356 0.836 -6.814 1.00 0.00 C ATOM 886 CD PRO A 56 15.993 0.252 -6.570 1.00 0.00 C ATOM 0 HA PRO A 56 17.394 -0.219 -3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.968 1.222 -5.459 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.640 -0.480 -5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 56 17.299 1.915 -6.954 1.00 0.00 H new ATOM 0 HG3 PRO A 56 17.802 0.420 -7.717 1.00 0.00 H new ATOM 0 HD2 PRO A 56 15.209 0.854 -7.030 1.00 0.00 H new ATOM 0 HD3 PRO A 56 15.906 -0.753 -6.982 1.00 0.00 H new ATOM 894 N GLN A 57 16.386 2.798 -4.233 1.00 0.00 N ATOM 895 CA GLN A 57 16.316 4.131 -3.648 1.00 0.00 C ATOM 896 C GLN A 57 15.256 4.191 -2.553 1.00 0.00 C ATOM 897 O GLN A 57 15.445 4.840 -1.525 1.00 0.00 O ATOM 898 CB GLN A 57 16.011 5.170 -4.730 1.00 0.00 C ATOM 899 CG GLN A 57 16.816 6.452 -4.586 1.00 0.00 C ATOM 900 CD GLN A 57 17.660 6.753 -5.810 1.00 0.00 C ATOM 901 OE1 GLN A 57 17.408 7.719 -6.530 1.00 0.00 O ATOM 902 NE2 GLN A 57 18.668 5.923 -6.052 1.00 0.00 N ATOM 0 H GLN A 57 15.768 2.655 -5.031 1.00 0.00 H new ATOM 0 HA GLN A 57 17.284 4.356 -3.201 1.00 0.00 H new ATOM 0 HB2 GLN A 57 16.211 4.733 -5.708 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.949 5.412 -4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 57 16.136 7.285 -4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.464 6.373 -3.713 1.00 0.00 H new ATOM 0 HE21 GLN A 57 18.840 5.135 -5.428 1.00 0.00 H new ATOM 0 HE22 GLN A 57 19.270 6.074 -6.862 1.00 0.00 H new ATOM 911 N GLY A 58 14.138 3.508 -2.782 1.00 0.00 N ATOM 912 CA GLY A 58 13.063 3.496 -1.807 1.00 0.00 C ATOM 913 C GLY A 58 11.706 3.738 -2.438 1.00 0.00 C ATOM 914 O GLY A 58 11.357 3.109 -3.436 1.00 0.00 O ATOM 0 H GLY A 58 13.958 2.963 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 58 13.055 2.536 -1.292 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.251 4.261 -1.053 1.00 0.00 H new ATOM 918 N VAL A 59 10.940 4.654 -1.853 1.00 0.00 N ATOM 919 CA VAL A 59 9.613 4.979 -2.364 1.00 0.00 C ATOM 920 C VAL A 59 9.474 6.477 -2.617 1.00 0.00 C ATOM 921 O VAL A 59 9.906 7.296 -1.806 1.00 0.00 O ATOM 922 CB VAL A 59 8.509 4.524 -1.387 1.00 0.00 C ATOM 923 CG1 VAL A 59 8.639 5.248 -0.054 1.00 0.00 C ATOM 924 CG2 VAL A 59 7.131 4.748 -1.993 1.00 0.00 C ATOM 0 H VAL A 59 11.215 5.184 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 59 9.494 4.444 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 59 8.631 3.456 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.851 4.913 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.612 5.028 0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.548 6.322 -0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.366 4.421 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.996 5.808 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.042 4.176 -2.917 1.00 0.00 H new ATOM 934 N ARG A 60 8.869 6.829 -3.747 1.00 0.00 N ATOM 935 CA ARG A 60 8.675 8.228 -4.106 1.00 0.00 C ATOM 936 C ARG A 60 7.274 8.456 -4.669 1.00 0.00 C ATOM 937 O ARG A 60 6.573 9.381 -4.261 1.00 0.00 O ATOM 938 CB ARG A 60 9.729 8.665 -5.126 1.00 0.00 C ATOM 939 CG ARG A 60 10.631 9.782 -4.627 1.00 0.00 C ATOM 940 CD ARG A 60 11.413 10.418 -5.765 1.00 0.00 C ATOM 941 NE ARG A 60 12.783 10.744 -5.373 1.00 0.00 N ATOM 942 CZ ARG A 60 13.111 11.809 -4.647 1.00 0.00 C ATOM 943 NH1 ARG A 60 12.174 12.653 -4.231 1.00 0.00 N ATOM 944 NH2 ARG A 60 14.381 12.032 -4.334 1.00 0.00 N ATOM 0 H ARG A 60 8.505 6.164 -4.429 1.00 0.00 H new ATOM 0 HA ARG A 60 8.784 8.829 -3.203 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.343 7.805 -5.393 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.228 8.993 -6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.029 10.542 -4.129 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.324 9.387 -3.884 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.432 9.738 -6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.904 11.325 -6.092 1.00 0.00 H new ATOM 0 HE ARG A 60 13.531 10.119 -5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.196 12.486 -4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.432 13.468 -3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 60 15.105 11.387 -4.650 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.633 12.849 -3.777 1.00 0.00 H new ATOM 958 N THR A 61 6.874 7.605 -5.609 1.00 0.00 N ATOM 959 CA THR A 61 5.558 7.713 -6.229 1.00 0.00 C ATOM 960 C THR A 61 4.775 6.414 -6.076 1.00 0.00 C ATOM 961 O THR A 61 5.152 5.381 -6.629 1.00 0.00 O ATOM 962 CB THR A 61 5.697 8.066 -7.711 1.00 0.00 C ATOM 963 OG1 THR A 61 6.615 9.129 -7.890 1.00 0.00 O ATOM 964 CG2 THR A 61 4.389 8.476 -8.354 1.00 0.00 C ATOM 0 H THR A 61 7.442 6.833 -5.958 1.00 0.00 H new ATOM 0 HA THR A 61 5.010 8.508 -5.722 1.00 0.00 H new ATOM 0 HB THR A 61 6.050 7.154 -8.193 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.691 9.338 -8.844 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.558 8.713 -9.404 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.674 7.657 -8.278 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.992 9.354 -7.844 1.00 0.00 H new ATOM 972 N ILE A 62 3.683 6.473 -5.322 1.00 0.00 N ATOM 973 CA ILE A 62 2.847 5.300 -5.095 1.00 0.00 C ATOM 974 C ILE A 62 1.597 5.342 -5.970 1.00 0.00 C ATOM 975 O ILE A 62 0.622 6.018 -5.643 1.00 0.00 O ATOM 976 CB ILE A 62 2.423 5.186 -3.619 1.00 0.00 C ATOM 977 CG1 ILE A 62 3.639 5.340 -2.703 1.00 0.00 C ATOM 978 CG2 ILE A 62 1.729 3.855 -3.368 1.00 0.00 C ATOM 979 CD1 ILE A 62 3.285 5.391 -1.233 1.00 0.00 C ATOM 0 H ILE A 62 3.356 7.320 -4.858 1.00 0.00 H new ATOM 0 HA ILE A 62 3.446 4.428 -5.359 1.00 0.00 H new ATOM 0 HB ILE A 62 1.719 5.988 -3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.321 4.508 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.173 6.251 -2.972 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.435 3.790 -2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.843 3.782 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.411 3.039 -3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.195 5.501 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.627 6.240 -1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.778 4.469 -0.949 1.00 0.00 H new ATOM 991 N TYR A 63 1.635 4.615 -7.081 1.00 0.00 N ATOM 992 CA TYR A 63 0.506 4.568 -8.004 1.00 0.00 C ATOM 993 C TYR A 63 -0.584 3.639 -7.482 1.00 0.00 C ATOM 994 O TYR A 63 -0.330 2.777 -6.640 1.00 0.00 O ATOM 995 CB TYR A 63 0.969 4.105 -9.386 1.00 0.00 C ATOM 996 CG TYR A 63 2.152 4.880 -9.921 1.00 0.00 C ATOM 997 CD1 TYR A 63 1.968 6.058 -10.635 1.00 0.00 C ATOM 998 CD2 TYR A 63 3.451 4.435 -9.713 1.00 0.00 C ATOM 999 CE1 TYR A 63 3.047 6.770 -11.127 1.00 0.00 C ATOM 1000 CE2 TYR A 63 4.534 5.141 -10.201 1.00 0.00 C ATOM 1001 CZ TYR A 63 4.326 6.307 -10.907 1.00 0.00 C ATOM 1002 OH TYR A 63 5.402 7.013 -11.394 1.00 0.00 O ATOM 0 H TYR A 63 2.435 4.050 -7.365 1.00 0.00 H new ATOM 0 HA TYR A 63 0.093 5.573 -8.086 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.230 3.048 -9.337 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.139 4.196 -10.087 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.967 6.423 -10.808 1.00 0.00 H new ATOM 0 HD2 TYR A 63 3.618 3.522 -9.161 1.00 0.00 H new ATOM 0 HE1 TYR A 63 2.888 7.684 -11.680 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.538 4.781 -10.030 1.00 0.00 H new ATOM 0 HH TYR A 63 6.232 6.552 -11.152 1.00 0.00 H new ATOM 1012 N THR A 64 -1.800 3.818 -7.989 1.00 0.00 N ATOM 1013 CA THR A 64 -2.929 2.995 -7.574 1.00 0.00 C ATOM 1014 C THR A 64 -2.806 1.581 -8.133 1.00 0.00 C ATOM 1015 O THR A 64 -1.932 1.300 -8.952 1.00 0.00 O ATOM 1016 CB THR A 64 -4.244 3.625 -8.037 1.00 0.00 C ATOM 1017 OG1 THR A 64 -4.061 4.329 -9.253 1.00 0.00 O ATOM 1018 CG2 THR A 64 -4.830 4.591 -7.030 1.00 0.00 C ATOM 0 H THR A 64 -2.028 4.526 -8.687 1.00 0.00 H new ATOM 0 HA THR A 64 -2.924 2.938 -6.485 1.00 0.00 H new ATOM 0 HB THR A 64 -4.936 2.793 -8.163 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.893 4.309 -9.771 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.761 5.002 -7.420 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.028 4.066 -6.095 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.123 5.401 -6.849 1.00 0.00 H new ATOM 1026 N ILE A 65 -3.687 0.694 -7.682 1.00 0.00 N ATOM 1027 CA ILE A 65 -3.677 -0.692 -8.134 1.00 0.00 C ATOM 1028 C ILE A 65 -3.938 -0.780 -9.636 1.00 0.00 C ATOM 1029 O ILE A 65 -3.411 -1.660 -10.317 1.00 0.00 O ATOM 1030 CB ILE A 65 -4.729 -1.535 -7.384 1.00 0.00 C ATOM 1031 CG1 ILE A 65 -4.613 -3.010 -7.777 1.00 0.00 C ATOM 1032 CG2 ILE A 65 -6.131 -1.013 -7.665 1.00 0.00 C ATOM 1033 CD1 ILE A 65 -3.871 -3.849 -6.760 1.00 0.00 C ATOM 0 H ILE A 65 -4.417 0.911 -7.004 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.686 -1.092 -7.918 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.541 -1.449 -6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.613 -3.421 -7.915 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.103 -3.083 -8.738 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.860 -1.620 -7.128 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.207 0.023 -7.334 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.332 -1.068 -8.735 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.827 -4.883 -7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.859 -3.463 -6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.392 -3.807 -5.804 1.00 0.00 H new ATOM 1045 N ASP A 66 -4.755 0.136 -10.146 1.00 0.00 N ATOM 1046 CA ASP A 66 -5.085 0.160 -11.565 1.00 0.00 C ATOM 1047 C ASP A 66 -3.896 0.636 -12.394 1.00 0.00 C ATOM 1048 O ASP A 66 -3.523 0.004 -13.383 1.00 0.00 O ATOM 1049 CB ASP A 66 -6.292 1.068 -11.815 1.00 0.00 C ATOM 1050 CG ASP A 66 -7.215 0.520 -12.885 1.00 0.00 C ATOM 1051 OD1 ASP A 66 -7.897 -0.492 -12.619 1.00 0.00 O ATOM 1052 OD2 ASP A 66 -7.258 1.103 -13.988 1.00 0.00 O ATOM 0 H ASP A 66 -5.200 0.871 -9.597 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.334 -0.856 -11.871 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.849 1.191 -10.886 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.944 2.057 -12.111 1.00 0.00 H new ATOM 1057 N GLY A 67 -3.305 1.753 -11.984 1.00 0.00 N ATOM 1058 CA GLY A 67 -2.164 2.295 -12.700 1.00 0.00 C ATOM 1059 C GLY A 67 -2.473 3.622 -13.364 1.00 0.00 C ATOM 1060 O GLY A 67 -1.991 3.901 -14.462 1.00 0.00 O ATOM 0 H GLY A 67 -3.595 2.293 -11.169 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.332 2.424 -12.007 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.841 1.580 -13.457 1.00 0.00 H new ATOM 1064 N LEU A 68 -3.278 4.443 -12.698 1.00 0.00 N ATOM 1065 CA LEU A 68 -3.650 5.748 -13.230 1.00 0.00 C ATOM 1066 C LEU A 68 -3.392 6.848 -12.205 1.00 0.00 C ATOM 1067 O LEU A 68 -2.602 7.762 -12.447 1.00 0.00 O ATOM 1068 CB LEU A 68 -5.125 5.754 -13.639 1.00 0.00 C ATOM 1069 CG LEU A 68 -5.505 4.722 -14.701 1.00 0.00 C ATOM 1070 CD1 LEU A 68 -6.914 4.200 -14.459 1.00 0.00 C ATOM 1071 CD2 LEU A 68 -5.392 5.324 -16.093 1.00 0.00 C ATOM 0 H LEU A 68 -3.685 4.227 -11.788 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.035 5.942 -14.108 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.733 5.581 -12.751 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.379 6.747 -14.011 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.811 3.884 -14.630 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.167 3.467 -15.225 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.964 3.731 -13.476 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.621 5.028 -14.502 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.666 4.576 -16.836 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.063 6.179 -16.175 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.366 5.649 -16.267 1.00 0.00 H new ATOM 1083 N LYS A 69 -4.061 6.754 -11.061 1.00 0.00 N ATOM 1084 CA LYS A 69 -3.903 7.741 -9.999 1.00 0.00 C ATOM 1085 C LYS A 69 -2.618 7.496 -9.216 1.00 0.00 C ATOM 1086 O LYS A 69 -2.123 6.371 -9.151 1.00 0.00 O ATOM 1087 CB LYS A 69 -5.108 7.701 -9.056 1.00 0.00 C ATOM 1088 CG LYS A 69 -6.110 8.817 -9.304 1.00 0.00 C ATOM 1089 CD LYS A 69 -5.568 10.162 -8.851 1.00 0.00 C ATOM 1090 CE LYS A 69 -6.075 10.533 -7.465 1.00 0.00 C ATOM 1091 NZ LYS A 69 -7.045 11.661 -7.513 1.00 0.00 N ATOM 0 H LYS A 69 -4.718 6.004 -10.845 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.843 8.728 -10.458 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.612 6.741 -9.164 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.756 7.762 -8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.353 8.860 -10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.037 8.600 -8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.478 10.132 -8.844 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.861 10.932 -9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.550 9.665 -7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.232 10.806 -6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.367 11.883 -6.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.585 12.497 -7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.862 11.392 -8.097 1.00 0.00 H new ATOM 1105 N LYS A 70 -2.082 8.558 -8.623 1.00 0.00 N ATOM 1106 CA LYS A 70 -0.854 8.460 -7.842 1.00 0.00 C ATOM 1107 C LYS A 70 -1.050 9.032 -6.443 1.00 0.00 C ATOM 1108 O LYS A 70 -1.410 10.199 -6.282 1.00 0.00 O ATOM 1109 CB LYS A 70 0.284 9.197 -8.552 1.00 0.00 C ATOM 1110 CG LYS A 70 -0.082 10.607 -8.984 1.00 0.00 C ATOM 1111 CD LYS A 70 1.156 11.432 -9.300 1.00 0.00 C ATOM 1112 CE LYS A 70 1.375 11.558 -10.800 1.00 0.00 C ATOM 1113 NZ LYS A 70 2.817 11.480 -11.159 1.00 0.00 N ATOM 0 H LYS A 70 -2.479 9.497 -8.668 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.595 7.405 -7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.147 9.242 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.586 8.624 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.726 10.564 -9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.653 11.094 -8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.054 12.425 -8.862 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.030 10.969 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.830 10.767 -11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.965 12.506 -11.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.924 11.570 -12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.334 12.250 -10.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.203 10.565 -10.850 1.00 0.00 H new ATOM 1127 N ILE A 71 -0.814 8.203 -5.432 1.00 0.00 N ATOM 1128 CA ILE A 71 -0.966 8.626 -4.045 1.00 0.00 C ATOM 1129 C ILE A 71 0.145 9.587 -3.639 1.00 0.00 C ATOM 1130 O ILE A 71 1.326 9.240 -3.680 1.00 0.00 O ATOM 1131 CB ILE A 71 -0.963 7.420 -3.086 1.00 0.00 C ATOM 1132 CG1 ILE A 71 -1.936 6.348 -3.576 1.00 0.00 C ATOM 1133 CG2 ILE A 71 -1.321 7.865 -1.676 1.00 0.00 C ATOM 1134 CD1 ILE A 71 -3.361 6.840 -3.710 1.00 0.00 C ATOM 0 H ILE A 71 -0.517 7.234 -5.547 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.927 9.135 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 71 0.039 6.991 -3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.597 5.975 -4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.915 5.506 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.315 7.002 -1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.591 8.597 -1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.314 8.315 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.995 6.026 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.719 7.186 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.396 7.663 -4.424 1.00 0.00 H new ATOM 1146 N SER A 72 -0.239 10.798 -3.247 1.00 0.00 N ATOM 1147 CA SER A 72 0.725 11.810 -2.834 1.00 0.00 C ATOM 1148 C SER A 72 0.532 12.178 -1.365 1.00 0.00 C ATOM 1149 O SER A 72 1.501 12.372 -0.631 1.00 0.00 O ATOM 1150 CB SER A 72 0.590 13.059 -3.708 1.00 0.00 C ATOM 1151 OG SER A 72 1.847 13.449 -4.237 1.00 0.00 O ATOM 0 H SER A 72 -1.212 11.102 -3.207 1.00 0.00 H new ATOM 0 HA SER A 72 1.726 11.396 -2.957 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.106 12.863 -4.523 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.170 13.875 -3.120 1.00 0.00 H new ATOM 0 HG SER A 72 1.734 14.248 -4.793 1.00 0.00 H new ATOM 1157 N SER A 73 -0.724 12.270 -0.944 1.00 0.00 N ATOM 1158 CA SER A 73 -1.045 12.614 0.437 1.00 0.00 C ATOM 1159 C SER A 73 -1.666 11.426 1.164 1.00 0.00 C ATOM 1160 O SER A 73 -1.785 10.336 0.605 1.00 0.00 O ATOM 1161 CB SER A 73 -2.001 13.808 0.480 1.00 0.00 C ATOM 1162 OG SER A 73 -1.288 15.033 0.491 1.00 0.00 O ATOM 0 H SER A 73 -1.537 12.111 -1.539 1.00 0.00 H new ATOM 0 HA SER A 73 -0.117 12.882 0.942 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.665 13.778 -0.384 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.630 13.742 1.368 1.00 0.00 H new ATOM 0 HG SER A 73 -1.922 15.780 0.517 1.00 0.00 H new ATOM 1168 N LEU A 74 -2.058 11.644 2.416 1.00 0.00 N ATOM 1169 CA LEU A 74 -2.666 10.591 3.221 1.00 0.00 C ATOM 1170 C LEU A 74 -4.177 10.553 3.016 1.00 0.00 C ATOM 1171 O LEU A 74 -4.786 9.484 3.009 1.00 0.00 O ATOM 1172 CB LEU A 74 -2.346 10.803 4.702 1.00 0.00 C ATOM 1173 CG LEU A 74 -0.857 10.789 5.052 1.00 0.00 C ATOM 1174 CD1 LEU A 74 -0.558 11.788 6.159 1.00 0.00 C ATOM 1175 CD2 LEU A 74 -0.421 9.391 5.463 1.00 0.00 C ATOM 0 H LEU A 74 -1.965 12.540 2.894 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.250 9.636 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.768 11.758 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.847 10.027 5.281 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.293 11.080 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.506 11.763 6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.834 12.790 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.132 11.528 7.048 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.641 9.399 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.993 9.073 6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.598 8.698 4.640 1.00 0.00 H new ATOM 1187 N ASP A 75 -4.775 11.729 2.850 1.00 0.00 N ATOM 1188 CA ASP A 75 -6.216 11.830 2.645 1.00 0.00 C ATOM 1189 C ASP A 75 -6.636 11.115 1.364 1.00 0.00 C ATOM 1190 O ASP A 75 -7.750 10.599 1.267 1.00 0.00 O ATOM 1191 CB ASP A 75 -6.641 13.299 2.586 1.00 0.00 C ATOM 1192 CG ASP A 75 -6.611 13.963 3.949 1.00 0.00 C ATOM 1193 OD1 ASP A 75 -7.201 13.401 4.897 1.00 0.00 O ATOM 1194 OD2 ASP A 75 -5.999 15.045 4.068 1.00 0.00 O ATOM 0 H ASP A 75 -4.285 12.624 2.853 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.712 11.348 3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.981 13.839 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -7.648 13.367 2.173 1.00 0.00 H new ATOM 1199 N GLN A 76 -5.739 11.089 0.384 1.00 0.00 N ATOM 1200 CA GLN A 76 -6.018 10.436 -0.890 1.00 0.00 C ATOM 1201 C GLN A 76 -6.335 8.958 -0.687 1.00 0.00 C ATOM 1202 O GLN A 76 -7.113 8.370 -1.438 1.00 0.00 O ATOM 1203 CB GLN A 76 -4.827 10.589 -1.837 1.00 0.00 C ATOM 1204 CG GLN A 76 -4.441 12.035 -2.101 1.00 0.00 C ATOM 1205 CD GLN A 76 -3.841 12.237 -3.479 1.00 0.00 C ATOM 1206 OE1 GLN A 76 -3.868 11.336 -4.318 1.00 0.00 O ATOM 1207 NE2 GLN A 76 -3.294 13.422 -3.719 1.00 0.00 N ATOM 0 H GLN A 76 -4.813 11.512 0.447 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.890 10.918 -1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.969 10.064 -1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.063 10.106 -2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.323 12.667 -1.997 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.725 12.360 -1.346 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.294 14.140 -2.994 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.874 13.615 -4.628 1.00 0.00 H new ATOM 1216 N LEU A 77 -5.728 8.363 0.335 1.00 0.00 N ATOM 1217 CA LEU A 77 -5.945 6.954 0.638 1.00 0.00 C ATOM 1218 C LEU A 77 -7.323 6.737 1.256 1.00 0.00 C ATOM 1219 O LEU A 77 -7.833 7.595 1.976 1.00 0.00 O ATOM 1220 CB LEU A 77 -4.862 6.443 1.590 1.00 0.00 C ATOM 1221 CG LEU A 77 -3.436 6.498 1.036 1.00 0.00 C ATOM 1222 CD1 LEU A 77 -2.448 6.846 2.140 1.00 0.00 C ATOM 1223 CD2 LEU A 77 -3.066 5.172 0.387 1.00 0.00 C ATOM 0 H LEU A 77 -5.082 8.835 0.967 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.892 6.395 -0.296 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.902 7.028 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.092 5.412 1.858 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.391 7.278 0.276 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.439 6.881 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.701 7.819 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.495 6.088 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.049 5.228 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.128 4.375 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.756 4.962 -0.431 1.00 0.00 H new ATOM 1235 N VAL A 78 -7.919 5.584 0.971 1.00 0.00 N ATOM 1236 CA VAL A 78 -9.237 5.254 1.498 1.00 0.00 C ATOM 1237 C VAL A 78 -9.174 4.025 2.399 1.00 0.00 C ATOM 1238 O VAL A 78 -8.263 3.206 2.284 1.00 0.00 O ATOM 1239 CB VAL A 78 -10.249 4.996 0.365 1.00 0.00 C ATOM 1240 CG1 VAL A 78 -11.649 4.807 0.930 1.00 0.00 C ATOM 1241 CG2 VAL A 78 -10.223 6.132 -0.646 1.00 0.00 C ATOM 0 H VAL A 78 -7.509 4.862 0.378 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.569 6.113 2.080 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.963 4.078 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.349 4.626 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.655 3.955 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.947 5.705 1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.944 5.931 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.481 7.067 -0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.225 6.213 -1.077 1.00 0.00 H new ATOM 1251 N GLU A 79 -10.149 3.903 3.294 1.00 0.00 N ATOM 1252 CA GLU A 79 -10.203 2.773 4.215 1.00 0.00 C ATOM 1253 C GLU A 79 -10.365 1.460 3.456 1.00 0.00 C ATOM 1254 O GLU A 79 -11.392 1.221 2.821 1.00 0.00 O ATOM 1255 CB GLU A 79 -11.357 2.949 5.204 1.00 0.00 C ATOM 1256 CG GLU A 79 -11.051 2.419 6.595 1.00 0.00 C ATOM 1257 CD GLU A 79 -12.305 2.054 7.367 1.00 0.00 C ATOM 1258 OE1 GLU A 79 -12.856 0.960 7.122 1.00 0.00 O ATOM 1259 OE2 GLU A 79 -12.735 2.862 8.216 1.00 0.00 O ATOM 0 H GLU A 79 -10.912 4.572 3.401 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.263 2.740 4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.606 4.008 5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.239 2.439 4.816 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.410 1.541 6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.491 3.171 7.152 1.00 0.00 H new ATOM 1266 N GLY A 80 -9.343 0.613 3.526 1.00 0.00 N ATOM 1267 CA GLY A 80 -9.392 -0.666 2.840 1.00 0.00 C ATOM 1268 C GLY A 80 -9.151 -0.533 1.349 1.00 0.00 C ATOM 1269 O GLY A 80 -10.088 -0.599 0.554 1.00 0.00 O ATOM 0 H GLY A 80 -8.483 0.789 4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.644 -1.333 3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.365 -1.128 3.008 1.00 0.00 H new ATOM 1273 N GLU A 81 -7.891 -0.346 0.969 1.00 0.00 N ATOM 1274 CA GLU A 81 -7.531 -0.204 -0.436 1.00 0.00 C ATOM 1275 C GLU A 81 -6.121 -0.727 -0.693 1.00 0.00 C ATOM 1276 O GLU A 81 -5.365 -0.986 0.244 1.00 0.00 O ATOM 1277 CB GLU A 81 -7.630 1.262 -0.864 1.00 0.00 C ATOM 1278 CG GLU A 81 -8.984 1.635 -1.446 1.00 0.00 C ATOM 1279 CD GLU A 81 -9.090 1.312 -2.924 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -8.072 1.441 -3.635 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -10.193 0.932 -3.370 1.00 0.00 O ATOM 0 H GLU A 81 -7.103 -0.289 1.614 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.231 -0.796 -1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.426 1.898 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.856 1.469 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.767 1.105 -0.904 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.159 2.700 -1.297 1.00 0.00 H new ATOM 1288 N SER A 82 -5.773 -0.879 -1.967 1.00 0.00 N ATOM 1289 CA SER A 82 -4.454 -1.371 -2.346 1.00 0.00 C ATOM 1290 C SER A 82 -3.794 -0.435 -3.354 1.00 0.00 C ATOM 1291 O SER A 82 -4.464 0.143 -4.211 1.00 0.00 O ATOM 1292 CB SER A 82 -4.561 -2.779 -2.935 1.00 0.00 C ATOM 1293 OG SER A 82 -4.778 -3.741 -1.917 1.00 0.00 O ATOM 0 H SER A 82 -6.387 -0.668 -2.754 1.00 0.00 H new ATOM 0 HA SER A 82 -3.835 -1.406 -1.449 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.379 -2.815 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.648 -3.020 -3.479 1.00 0.00 H new ATOM 0 HG SER A 82 -4.844 -4.633 -2.318 1.00 0.00 H new ATOM 1299 N TYR A 83 -2.478 -0.290 -3.246 1.00 0.00 N ATOM 1300 CA TYR A 83 -1.727 0.576 -4.147 1.00 0.00 C ATOM 1301 C TYR A 83 -0.323 0.030 -4.384 1.00 0.00 C ATOM 1302 O TYR A 83 0.221 -0.695 -3.551 1.00 0.00 O ATOM 1303 CB TYR A 83 -1.643 1.993 -3.576 1.00 0.00 C ATOM 1304 CG TYR A 83 -2.955 2.504 -3.023 1.00 0.00 C ATOM 1305 CD1 TYR A 83 -3.413 2.093 -1.778 1.00 0.00 C ATOM 1306 CD2 TYR A 83 -3.734 3.399 -3.747 1.00 0.00 C ATOM 1307 CE1 TYR A 83 -4.611 2.558 -1.270 1.00 0.00 C ATOM 1308 CE2 TYR A 83 -4.933 3.868 -3.245 1.00 0.00 C ATOM 1309 CZ TYR A 83 -5.366 3.445 -2.007 1.00 0.00 C ATOM 1310 OH TYR A 83 -6.559 3.911 -1.504 1.00 0.00 O ATOM 0 H TYR A 83 -1.909 -0.761 -2.543 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.253 0.606 -5.101 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.893 2.013 -2.785 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.300 2.671 -4.358 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -2.823 1.399 -1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -3.397 3.733 -4.717 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -4.954 2.228 -0.300 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.528 4.562 -3.820 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.966 4.528 -2.147 1.00 0.00 H new ATOM 1320 N VAL A 84 0.259 0.384 -5.525 1.00 0.00 N ATOM 1321 CA VAL A 84 1.601 -0.070 -5.871 1.00 0.00 C ATOM 1322 C VAL A 84 2.633 1.020 -5.602 1.00 0.00 C ATOM 1323 O VAL A 84 2.418 2.187 -5.931 1.00 0.00 O ATOM 1324 CB VAL A 84 1.691 -0.490 -7.350 1.00 0.00 C ATOM 1325 CG1 VAL A 84 3.033 -1.144 -7.639 1.00 0.00 C ATOM 1326 CG2 VAL A 84 0.545 -1.425 -7.710 1.00 0.00 C ATOM 0 H VAL A 84 -0.177 0.984 -6.225 1.00 0.00 H new ATOM 0 HA VAL A 84 1.814 -0.935 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 84 1.608 0.404 -7.968 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.078 -1.434 -8.689 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.836 -0.439 -7.423 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.149 -2.029 -7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.625 -1.711 -8.759 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.593 -2.317 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.405 -0.917 -7.544 1.00 0.00 H new ATOM 1336 N CYS A 85 3.753 0.633 -5.002 1.00 0.00 N ATOM 1337 CA CYS A 85 4.818 1.578 -4.689 1.00 0.00 C ATOM 1338 C CYS A 85 5.972 1.445 -5.678 1.00 0.00 C ATOM 1339 O CYS A 85 6.660 0.425 -5.711 1.00 0.00 O ATOM 1340 CB CYS A 85 5.325 1.352 -3.264 1.00 0.00 C ATOM 1341 SG CYS A 85 4.088 1.668 -1.983 1.00 0.00 S ATOM 0 H CYS A 85 3.947 -0.329 -4.723 1.00 0.00 H new ATOM 0 HA CYS A 85 4.410 2.586 -4.768 1.00 0.00 H new ATOM 0 HB2 CYS A 85 5.673 0.323 -3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.186 1.997 -3.089 1.00 0.00 H new ATOM 0 HG CYS A 85 2.960 1.119 -2.324 1.00 0.00 H new ATOM 1347 N GLY A 86 6.177 2.482 -6.483 1.00 0.00 N ATOM 1348 CA GLY A 86 7.250 2.462 -7.461 1.00 0.00 C ATOM 1349 C GLY A 86 8.170 3.658 -7.336 1.00 0.00 C ATOM 1350 O GLY A 86 7.719 4.772 -7.073 1.00 0.00 O ATOM 0 H GLY A 86 5.620 3.336 -6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.830 1.547 -7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.823 2.439 -8.464 1.00 0.00 H new ATOM 1354 N SER A 87 9.464 3.427 -7.528 1.00 0.00 N ATOM 1355 CA SER A 87 10.448 4.496 -7.438 1.00 0.00 C ATOM 1356 C SER A 87 11.479 4.383 -8.553 1.00 0.00 C ATOM 1357 O SER A 87 11.957 3.292 -8.867 1.00 0.00 O ATOM 1358 CB SER A 87 11.149 4.466 -6.080 1.00 0.00 C ATOM 1359 OG SER A 87 11.311 5.775 -5.561 1.00 0.00 O ATOM 0 H SER A 87 9.854 2.510 -7.747 1.00 0.00 H new ATOM 0 HA SER A 87 9.922 5.444 -7.546 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.569 3.863 -5.381 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.123 3.988 -6.181 1.00 0.00 H new ATOM 0 HG SER A 87 11.760 5.729 -4.691 1.00 0.00 H new ATOM 1365 N ILE A 88 11.815 5.520 -9.146 1.00 0.00 N ATOM 1366 CA ILE A 88 12.790 5.566 -10.231 1.00 0.00 C ATOM 1367 C ILE A 88 12.458 4.551 -11.321 1.00 0.00 C ATOM 1368 O ILE A 88 13.348 4.047 -12.006 1.00 0.00 O ATOM 1369 CB ILE A 88 14.217 5.296 -9.715 1.00 0.00 C ATOM 1370 CG1 ILE A 88 14.494 6.115 -8.454 1.00 0.00 C ATOM 1371 CG2 ILE A 88 15.241 5.614 -10.796 1.00 0.00 C ATOM 1372 CD1 ILE A 88 14.370 7.609 -8.665 1.00 0.00 C ATOM 0 H ILE A 88 11.425 6.428 -8.894 1.00 0.00 H new ATOM 0 HA ILE A 88 12.744 6.571 -10.650 1.00 0.00 H new ATOM 0 HB ILE A 88 14.300 4.239 -9.462 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.800 5.808 -7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.499 5.889 -8.097 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.244 5.418 -10.416 1.00 0.00 H new ATOM 0 HG22 ILE A 88 15.055 4.988 -11.669 1.00 0.00 H new ATOM 0 HG23 ILE A 88 15.158 6.664 -11.078 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.580 8.127 -7.729 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.083 7.930 -9.425 1.00 0.00 H new ATOM 0 HD13 ILE A 88 13.358 7.847 -8.993 1.00 0.00 H new ATOM 1384 N GLU A 89 11.171 4.255 -11.475 1.00 0.00 N ATOM 1385 CA GLU A 89 10.724 3.300 -12.482 1.00 0.00 C ATOM 1386 C GLU A 89 9.234 3.468 -12.772 1.00 0.00 C ATOM 1387 O GLU A 89 8.478 3.936 -11.922 1.00 0.00 O ATOM 1388 CB GLU A 89 11.009 1.869 -12.019 1.00 0.00 C ATOM 1389 CG GLU A 89 10.193 1.445 -10.808 1.00 0.00 C ATOM 1390 CD GLU A 89 10.890 0.387 -9.976 1.00 0.00 C ATOM 1391 OE1 GLU A 89 11.771 0.750 -9.170 1.00 0.00 O ATOM 1392 OE2 GLU A 89 10.553 -0.806 -10.130 1.00 0.00 O ATOM 0 H GLU A 89 10.421 4.662 -10.916 1.00 0.00 H new ATOM 0 HA GLU A 89 11.277 3.494 -13.401 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.806 1.183 -12.841 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.069 1.777 -11.782 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.993 2.317 -10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.228 1.063 -11.141 1.00 0.00 H new ATOM 1399 N PRO A 90 8.793 3.084 -13.981 1.00 0.00 N ATOM 1400 CA PRO A 90 7.386 3.194 -14.380 1.00 0.00 C ATOM 1401 C PRO A 90 6.495 2.213 -13.627 1.00 0.00 C ATOM 1402 O PRO A 90 6.919 1.601 -12.646 1.00 0.00 O ATOM 1403 CB PRO A 90 7.410 2.859 -15.873 1.00 0.00 C ATOM 1404 CG PRO A 90 8.623 2.012 -16.051 1.00 0.00 C ATOM 1405 CD PRO A 90 9.629 2.514 -15.055 1.00 0.00 C ATOM 0 HA PRO A 90 6.976 4.179 -14.160 1.00 0.00 H new ATOM 0 HB2 PRO A 90 6.508 2.327 -16.174 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.465 3.762 -16.481 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.393 0.961 -15.878 1.00 0.00 H new ATOM 0 HG3 PRO A 90 9.008 2.091 -17.068 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.264 1.709 -14.685 1.00 0.00 H new ATOM 0 HD3 PRO A 90 10.288 3.264 -15.493 1.00 0.00 H new ATOM 1413 N PHE A 91 5.259 2.068 -14.091 1.00 0.00 N ATOM 1414 CA PHE A 91 4.308 1.160 -13.460 1.00 0.00 C ATOM 1415 C PHE A 91 4.334 -0.208 -14.133 1.00 0.00 C ATOM 1416 O PHE A 91 4.286 -0.310 -15.358 1.00 0.00 O ATOM 1417 CB PHE A 91 2.894 1.743 -13.521 1.00 0.00 C ATOM 1418 CG PHE A 91 1.910 1.024 -12.645 1.00 0.00 C ATOM 1419 CD1 PHE A 91 1.469 -0.248 -12.975 1.00 0.00 C ATOM 1420 CD2 PHE A 91 1.427 1.619 -11.490 1.00 0.00 C ATOM 1421 CE1 PHE A 91 0.564 -0.913 -12.168 1.00 0.00 C ATOM 1422 CE2 PHE A 91 0.520 0.959 -10.681 1.00 0.00 C ATOM 1423 CZ PHE A 91 0.089 -0.308 -11.021 1.00 0.00 C ATOM 0 H PHE A 91 4.892 2.567 -14.901 1.00 0.00 H new ATOM 0 HA PHE A 91 4.599 1.039 -12.417 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.930 2.792 -13.228 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.541 1.712 -14.552 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.836 -0.725 -13.872 1.00 0.00 H new ATOM 0 HD2 PHE A 91 1.763 2.609 -11.219 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.229 -1.905 -12.435 1.00 0.00 H new ATOM 0 HE2 PHE A 91 0.149 1.434 -9.785 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.619 -0.825 -10.391 1.00 0.00 H new ATOM 1433 N LYS A 92 4.412 -1.259 -13.322 1.00 0.00 N ATOM 1434 CA LYS A 92 4.445 -2.622 -13.839 1.00 0.00 C ATOM 1435 C LYS A 92 3.140 -3.350 -13.535 1.00 0.00 C ATOM 1436 O LYS A 92 2.714 -3.426 -12.383 1.00 0.00 O ATOM 1437 CB LYS A 92 5.622 -3.390 -13.236 1.00 0.00 C ATOM 1438 CG LYS A 92 6.959 -2.685 -13.400 1.00 0.00 C ATOM 1439 CD LYS A 92 7.905 -3.009 -12.254 1.00 0.00 C ATOM 1440 CE LYS A 92 9.319 -3.258 -12.754 1.00 0.00 C ATOM 1441 NZ LYS A 92 10.324 -3.147 -11.659 1.00 0.00 N ATOM 0 H LYS A 92 4.453 -1.192 -12.305 1.00 0.00 H new ATOM 0 HA LYS A 92 4.569 -2.571 -14.921 1.00 0.00 H new ATOM 0 HB2 LYS A 92 5.434 -3.551 -12.175 1.00 0.00 H new ATOM 0 HB3 LYS A 92 5.680 -4.373 -13.702 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.415 -2.982 -14.344 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.800 -1.608 -13.448 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.910 -2.185 -11.540 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.546 -3.890 -11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.377 -4.251 -13.200 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.558 -2.541 -13.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.280 -3.256 -12.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.241 -2.215 -11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.153 -3.892 -10.954 1.00 0.00 H new ATOM 1455 N LYS A 93 2.511 -3.885 -14.577 1.00 0.00 N ATOM 1456 CA LYS A 93 1.253 -4.607 -14.420 1.00 0.00 C ATOM 1457 C LYS A 93 1.502 -6.034 -13.940 1.00 0.00 C ATOM 1458 O LYS A 93 1.974 -6.882 -14.697 1.00 0.00 O ATOM 1459 CB LYS A 93 0.486 -4.626 -15.745 1.00 0.00 C ATOM 1460 CG LYS A 93 -0.982 -4.255 -15.602 1.00 0.00 C ATOM 1461 CD LYS A 93 -1.836 -5.474 -15.296 1.00 0.00 C ATOM 1462 CE LYS A 93 -2.103 -5.609 -13.805 1.00 0.00 C ATOM 1463 NZ LYS A 93 -3.449 -5.093 -13.433 1.00 0.00 N ATOM 0 H LYS A 93 2.851 -3.832 -15.537 1.00 0.00 H new ATOM 0 HA LYS A 93 0.655 -4.091 -13.669 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.961 -3.934 -16.441 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.560 -5.621 -16.184 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.097 -3.520 -14.806 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.331 -3.786 -16.522 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.783 -5.399 -15.831 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.335 -6.371 -15.659 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.023 -6.657 -13.515 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.339 -5.065 -13.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.592 -5.203 -12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.517 -4.087 -13.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.180 -5.628 -13.944 1.00 0.00 H new ATOM 1477 N LEU A 94 1.180 -6.292 -12.676 1.00 0.00 N ATOM 1478 CA LEU A 94 1.370 -7.615 -12.094 1.00 0.00 C ATOM 1479 C LEU A 94 0.145 -8.035 -11.286 1.00 0.00 C ATOM 1480 O LEU A 94 -0.585 -7.193 -10.763 1.00 0.00 O ATOM 1481 CB LEU A 94 2.612 -7.631 -11.201 1.00 0.00 C ATOM 1482 CG LEU A 94 3.918 -7.250 -11.903 1.00 0.00 C ATOM 1483 CD1 LEU A 94 4.806 -6.437 -10.973 1.00 0.00 C ATOM 1484 CD2 LEU A 94 4.647 -8.496 -12.383 1.00 0.00 C ATOM 0 H LEU A 94 0.786 -5.602 -12.036 1.00 0.00 H new ATOM 0 HA LEU A 94 1.508 -8.325 -12.909 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.451 -6.946 -10.368 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.723 -8.629 -10.776 1.00 0.00 H new ATOM 0 HG LEU A 94 3.677 -6.636 -12.771 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.730 -6.175 -11.489 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.285 -5.526 -10.677 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.040 -7.026 -10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.573 -8.207 -12.880 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.877 -9.134 -11.530 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.014 -9.041 -13.084 1.00 0.00 H new ATOM 1496 N GLU A 95 -0.072 -9.343 -11.188 1.00 0.00 N ATOM 1497 CA GLU A 95 -1.207 -9.876 -10.442 1.00 0.00 C ATOM 1498 C GLU A 95 -0.905 -9.918 -8.947 1.00 0.00 C ATOM 1499 O GLU A 95 -0.291 -10.864 -8.454 1.00 0.00 O ATOM 1500 CB GLU A 95 -1.556 -11.279 -10.944 1.00 0.00 C ATOM 1501 CG GLU A 95 -1.962 -11.317 -12.408 1.00 0.00 C ATOM 1502 CD GLU A 95 -1.459 -12.557 -13.120 1.00 0.00 C ATOM 1503 OE1 GLU A 95 -2.140 -13.602 -13.044 1.00 0.00 O ATOM 1504 OE2 GLU A 95 -0.386 -12.483 -13.755 1.00 0.00 O ATOM 0 H GLU A 95 0.523 -10.053 -11.615 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.060 -9.216 -10.602 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.696 -11.933 -10.797 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.369 -11.680 -10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.049 -11.276 -12.481 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.575 -10.431 -12.912 1.00 0.00 H new ATOM 1511 N TYR A 96 -1.336 -8.884 -8.232 1.00 0.00 N ATOM 1512 CA TYR A 96 -1.110 -8.800 -6.794 1.00 0.00 C ATOM 1513 C TYR A 96 -2.257 -9.441 -6.017 1.00 0.00 C ATOM 1514 O TYR A 96 -2.072 -10.455 -5.343 1.00 0.00 O ATOM 1515 CB TYR A 96 -0.946 -7.340 -6.368 1.00 0.00 C ATOM 1516 CG TYR A 96 -0.025 -6.547 -7.266 1.00 0.00 C ATOM 1517 CD1 TYR A 96 1.346 -6.527 -7.042 1.00 0.00 C ATOM 1518 CD2 TYR A 96 -0.526 -5.818 -8.337 1.00 0.00 C ATOM 1519 CE1 TYR A 96 2.192 -5.804 -7.859 1.00 0.00 C ATOM 1520 CE2 TYR A 96 0.315 -5.092 -9.160 1.00 0.00 C ATOM 1521 CZ TYR A 96 1.672 -5.088 -8.917 1.00 0.00 C ATOM 1522 OH TYR A 96 2.511 -4.366 -9.733 1.00 0.00 O ATOM 0 H TYR A 96 -1.844 -8.092 -8.626 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.195 -9.346 -6.566 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -1.926 -6.862 -6.354 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -0.561 -7.309 -5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.757 -7.087 -6.215 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.589 -5.818 -8.530 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.255 -5.799 -7.671 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -0.089 -4.531 -9.989 1.00 0.00 H new ATOM 0 HH TYR A 96 2.137 -4.331 -10.638 1.00 0.00 H new ATOM 1532 N THR A 97 -3.439 -8.839 -6.111 1.00 0.00 N ATOM 1533 CA THR A 97 -4.618 -9.344 -5.413 1.00 0.00 C ATOM 1534 C THR A 97 -4.844 -10.827 -5.697 1.00 0.00 C ATOM 1535 O THR A 97 -5.357 -11.559 -4.851 1.00 0.00 O ATOM 1536 CB THR A 97 -5.856 -8.544 -5.823 1.00 0.00 C ATOM 1537 OG1 THR A 97 -5.732 -8.075 -7.154 1.00 0.00 O ATOM 1538 CG2 THR A 97 -6.113 -7.344 -4.936 1.00 0.00 C ATOM 0 H THR A 97 -3.606 -7.999 -6.665 1.00 0.00 H new ATOM 0 HA THR A 97 -4.446 -9.226 -4.343 1.00 0.00 H new ATOM 0 HB THR A 97 -6.693 -9.235 -5.724 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.534 -7.567 -7.398 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.005 -6.821 -5.281 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.262 -7.676 -3.909 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.257 -6.670 -4.979 1.00 0.00 H new ATOM 1546 N LYS A 98 -4.459 -11.263 -6.892 1.00 0.00 N ATOM 1547 CA LYS A 98 -4.625 -12.659 -7.284 1.00 0.00 C ATOM 1548 C LYS A 98 -3.901 -13.591 -6.316 1.00 0.00 C ATOM 1549 O LYS A 98 -4.311 -14.734 -6.116 1.00 0.00 O ATOM 1550 CB LYS A 98 -4.104 -12.876 -8.705 1.00 0.00 C ATOM 1551 CG LYS A 98 -4.899 -12.128 -9.764 1.00 0.00 C ATOM 1552 CD LYS A 98 -5.267 -13.031 -10.931 1.00 0.00 C ATOM 1553 CE LYS A 98 -6.705 -13.512 -10.831 1.00 0.00 C ATOM 1554 NZ LYS A 98 -7.035 -13.995 -9.462 1.00 0.00 N ATOM 0 H LYS A 98 -4.031 -10.672 -7.605 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.689 -12.893 -7.254 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.062 -12.560 -8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.125 -13.942 -8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.807 -11.721 -9.318 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.315 -11.282 -10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.127 -12.492 -11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.596 -13.890 -10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.379 -12.699 -11.102 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.870 -14.315 -11.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.851 -14.638 -9.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.217 -14.501 -9.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.267 -13.184 -8.854 1.00 0.00 H new ATOM 1568 N ASN A 99 -2.822 -13.096 -5.717 1.00 0.00 N ATOM 1569 CA ASN A 99 -2.044 -13.887 -4.770 1.00 0.00 C ATOM 1570 C ASN A 99 -2.242 -13.383 -3.344 1.00 0.00 C ATOM 1571 O ASN A 99 -1.296 -13.320 -2.559 1.00 0.00 O ATOM 1572 CB ASN A 99 -0.559 -13.846 -5.136 1.00 0.00 C ATOM 1573 CG ASN A 99 -0.310 -14.218 -6.585 1.00 0.00 C ATOM 1574 OD1 ASN A 99 0.046 -15.354 -6.894 1.00 0.00 O ATOM 1575 ND2 ASN A 99 -0.498 -13.257 -7.482 1.00 0.00 N ATOM 0 H ASN A 99 -2.467 -12.152 -5.870 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.396 -14.917 -4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.169 -12.846 -4.948 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.009 -14.529 -4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -0.347 -13.447 -8.473 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.794 -12.329 -7.180 1.00 0.00 H new ATOM 1582 N VAL A 100 -3.479 -13.024 -3.015 1.00 0.00 N ATOM 1583 CA VAL A 100 -3.801 -12.525 -1.683 1.00 0.00 C ATOM 1584 C VAL A 100 -5.255 -12.815 -1.322 1.00 0.00 C ATOM 1585 O VAL A 100 -5.552 -13.266 -0.217 1.00 0.00 O ATOM 1586 CB VAL A 100 -3.550 -11.010 -1.573 1.00 0.00 C ATOM 1587 CG1 VAL A 100 -3.718 -10.541 -0.136 1.00 0.00 C ATOM 1588 CG2 VAL A 100 -2.165 -10.659 -2.095 1.00 0.00 C ATOM 0 H VAL A 100 -4.274 -13.069 -3.652 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.145 -13.046 -0.985 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.288 -10.494 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.536 -9.468 -0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.732 -10.755 0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.006 -11.063 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.005 -9.584 -2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.411 -11.186 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.084 -10.956 -3.141 1.00 0.00 H new ATOM 1598 N ASN A 101 -6.157 -12.551 -2.263 1.00 0.00 N ATOM 1599 CA ASN A 101 -7.581 -12.783 -2.043 1.00 0.00 C ATOM 1600 C ASN A 101 -8.109 -11.889 -0.924 1.00 0.00 C ATOM 1601 O ASN A 101 -7.373 -11.531 -0.004 1.00 0.00 O ATOM 1602 CB ASN A 101 -7.835 -14.254 -1.703 1.00 0.00 C ATOM 1603 CG ASN A 101 -8.221 -15.069 -2.922 1.00 0.00 C ATOM 1604 OD1 ASN A 101 -9.395 -15.155 -3.280 1.00 0.00 O ATOM 1605 ND2 ASN A 101 -7.229 -15.674 -3.566 1.00 0.00 N ATOM 0 H ASN A 101 -5.928 -12.177 -3.184 1.00 0.00 H new ATOM 0 HA ASN A 101 -8.111 -12.536 -2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -6.939 -14.680 -1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.628 -14.321 -0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.427 -16.237 -4.393 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.270 -15.575 -3.233 1.00 0.00 H new ATOM 1612 N PRO A 102 -9.399 -11.516 -0.987 1.00 0.00 N ATOM 1613 CA PRO A 102 -10.024 -10.660 0.026 1.00 0.00 C ATOM 1614 C PRO A 102 -10.174 -11.367 1.369 1.00 0.00 C ATOM 1615 O PRO A 102 -11.043 -12.222 1.539 1.00 0.00 O ATOM 1616 CB PRO A 102 -11.399 -10.346 -0.569 1.00 0.00 C ATOM 1617 CG PRO A 102 -11.680 -11.479 -1.493 1.00 0.00 C ATOM 1618 CD PRO A 102 -10.347 -11.900 -2.050 1.00 0.00 C ATOM 0 HA PRO A 102 -9.424 -9.774 0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.159 -10.272 0.209 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.392 -9.394 -1.100 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -12.160 -12.303 -0.965 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -12.357 -11.173 -2.291 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.315 -12.971 -2.250 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -10.125 -11.393 -2.989 1.00 0.00 H new ATOM 1626 N ASN A 103 -9.320 -11.004 2.322 1.00 0.00 N ATOM 1627 CA ASN A 103 -9.355 -11.602 3.651 1.00 0.00 C ATOM 1628 C ASN A 103 -8.331 -10.945 4.571 1.00 0.00 C ATOM 1629 O ASN A 103 -7.483 -11.618 5.157 1.00 0.00 O ATOM 1630 CB ASN A 103 -9.093 -13.107 3.562 1.00 0.00 C ATOM 1631 CG ASN A 103 -9.866 -13.890 4.604 1.00 0.00 C ATOM 1632 OD1 ASN A 103 -10.910 -14.474 4.310 1.00 0.00 O ATOM 1633 ND2 ASN A 103 -9.357 -13.906 5.831 1.00 0.00 N ATOM 0 H ASN A 103 -8.595 -10.298 2.197 1.00 0.00 H new ATOM 0 HA ASN A 103 -10.347 -11.439 4.071 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.365 -13.462 2.568 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.027 -13.296 3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.834 -14.416 6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.489 -13.408 6.030 1.00 0.00 H new ATOM 1640 N TRP A 104 -8.416 -9.624 4.692 1.00 0.00 N ATOM 1641 CA TRP A 104 -7.497 -8.874 5.541 1.00 0.00 C ATOM 1642 C TRP A 104 -8.179 -7.641 6.127 1.00 0.00 C ATOM 1643 O TRP A 104 -8.052 -7.356 7.318 1.00 0.00 O ATOM 1644 CB TRP A 104 -6.256 -8.459 4.748 1.00 0.00 C ATOM 1645 CG TRP A 104 -6.551 -7.506 3.629 1.00 0.00 C ATOM 1646 CD1 TRP A 104 -7.076 -7.814 2.407 1.00 0.00 C ATOM 1647 CD2 TRP A 104 -6.337 -6.090 3.629 1.00 0.00 C ATOM 1648 NE1 TRP A 104 -7.200 -6.676 1.647 1.00 0.00 N ATOM 1649 CE2 TRP A 104 -6.754 -5.604 2.375 1.00 0.00 C ATOM 1650 CE3 TRP A 104 -5.834 -5.184 4.568 1.00 0.00 C ATOM 1651 CZ2 TRP A 104 -6.683 -4.255 2.038 1.00 0.00 C ATOM 1652 CZ3 TRP A 104 -5.763 -3.846 4.231 1.00 0.00 C ATOM 1653 CH2 TRP A 104 -6.186 -3.392 2.975 1.00 0.00 C ATOM 0 H TRP A 104 -9.111 -9.051 4.213 1.00 0.00 H new ATOM 0 HA TRP A 104 -7.192 -9.522 6.363 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -5.538 -7.998 5.427 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -5.781 -9.351 4.339 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.353 -8.807 2.085 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -7.565 -6.636 0.695 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -5.507 -5.524 5.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.009 -3.903 1.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -5.375 -3.138 4.948 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -6.118 -2.340 2.742 1.00 0.00 H new ATOM 1664 N SER A 105 -8.903 -6.913 5.282 1.00 0.00 N ATOM 1665 CA SER A 105 -9.604 -5.711 5.717 1.00 0.00 C ATOM 1666 C SER A 105 -11.064 -6.015 6.042 1.00 0.00 C ATOM 1667 O SER A 105 -11.948 -5.193 5.801 1.00 0.00 O ATOM 1668 CB SER A 105 -9.525 -4.630 4.638 1.00 0.00 C ATOM 1669 OG SER A 105 -9.786 -5.172 3.354 1.00 0.00 O ATOM 0 H SER A 105 -9.019 -7.135 4.293 1.00 0.00 H new ATOM 0 HA SER A 105 -9.118 -5.348 6.623 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.244 -3.840 4.856 1.00 0.00 H new ATOM 0 HB3 SER A 105 -8.536 -4.172 4.649 1.00 0.00 H new ATOM 0 HG SER A 105 -8.938 -5.352 2.896 1.00 0.00 H new