USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 947 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 126 LYS NZ :NH3+ -107:sc= -1.2 (180deg=0) USER MOD Set 1.2: A 127 LYS NZ :NH3+ -176:sc= -0.185 (180deg=-0.156) USER MOD Set 1.3: A 128 ASN : amide:sc= -1.19 K(o=-2.6,f=1.6) USER MOD Set 2.1: A 113 SER OG : rot -91:sc= -4.14! USER MOD Set 2.2: A 116 HIS : no HD1:sc= -15! C(o=-19!,f=-27!) USER MOD Set 3.1: A 55 HIS : no HE2:sc= -7.08 K(o=-11,f=-16!) USER MOD Set 3.2: A 57 GLN : amide:sc= -3.95! C(o=-11!,f=-20!) USER MOD Single : A 26 LYS NZ :NH3+ -150:sc= -3.92! (180deg=-6.02!) USER MOD Single : A 29 TYR OH : rot -120:sc= 1.19 USER MOD Single : A 30 CYS SG : rot -12:sc= 0.766 USER MOD Single : A 31 SER OG : rot 120:sc= -2.29! USER MOD Single : A 35 HIS : no HE2:sc= -6.5! C(o=-6.5!,f=-11!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -50:sc= -5.27! USER MOD Single : A 52 SER OG : rot -62:sc= 1.11 USER MOD Single : A 54 GLN : amide:sc= -11.7! C(o=-12!,f=-11!) USER MOD Single : A 59 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.1) USER MOD Single : A 61 SER OG : rot -46:sc= 0.878 USER MOD Single : A 64 SER OG : rot 73:sc= 1.14 USER MOD Single : A 69 TYR OH : rot -54:sc= 0.153 USER MOD Single : A 71 LYS NZ :NH3+ 161:sc= -7.54! (180deg=-9.48!) USER MOD Single : A 72 SER OG : rot 103:sc= 1.09 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -56:sc= 1.07 USER MOD Single : A 77 GLN : amide:sc= -4.15 K(o=-4.1,f=-11!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 167:sc= -3.43! (180deg=-4.26) USER MOD Single : A 83 THR OG1 : rot 105:sc= 0.0711 USER MOD Single : A 88 TYR OH : rot 180:sc= -1.44 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0.153 X(o=0.15,f=0) USER MOD Single : A 92 THR OG1 : rot 68:sc= 0.949 USER MOD Single : A 94 ASN : amide:sc= -5.58! K(o=-5.6!,f=-2.6) USER MOD Single : A 97 CYS SG : rot 40:sc= -0.914 USER MOD Single : A 106 ASN : amide:sc=-0.00529 X(o=-0.0053,f=-0.085) USER MOD Single : A 107 HIS : no HD1:sc= -6.62! C(o=-6.6!,f=-4.6!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -2.12 K(o=-2.1,f=-0.77) USER MOD Single : A 110 THR OG1 : rot 42:sc= 1.08 USER MOD Single : A 111 TYR OH : rot 0:sc= -4.03! USER MOD Single : A 114 LYS NZ :NH3+ -139:sc= -0.291 (180deg=-1.69) USER MOD Single : A 115 LYS NZ :NH3+ 144:sc= -0.466 (180deg=-2!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.987 X(o=-0.99,f=-1.1) USER MOD Single : A 130 SER OG : rot 68:sc= 0.99 USER MOD Single : A 131 CYS SG : rot -160:sc= -0.166 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot -14:sc= -1.85! USER MOD Single : A 138 HIS : no HD1:sc= -4.05! C(o=-4.1!,f=-5.4!) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 26 -8.096 -7.382 9.739 1.00 0.00 N ATOM 38 CA LYS A 26 -7.099 -7.615 8.709 1.00 0.00 C ATOM 39 C LYS A 26 -5.894 -6.704 8.956 1.00 0.00 C ATOM 40 O LYS A 26 -6.043 -5.599 9.475 1.00 0.00 O ATOM 41 CB LYS A 26 -7.717 -7.453 7.318 1.00 0.00 C ATOM 42 CG LYS A 26 -6.750 -7.924 6.230 1.00 0.00 C ATOM 43 CD LYS A 26 -6.372 -6.772 5.297 1.00 0.00 C ATOM 44 CE LYS A 26 -5.039 -6.145 5.713 1.00 0.00 C ATOM 45 NZ LYS A 26 -5.269 -4.898 6.475 1.00 0.00 N ATOM 0 HA LYS A 26 -6.738 -8.642 8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.643 -8.025 7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.977 -6.408 7.151 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.851 -8.334 6.690 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.208 -8.728 5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.302 -7.137 4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.155 -6.014 5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.472 -6.850 6.321 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.439 -5.932 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.475 -4.245 6.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.152 -4.453 6.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.342 -5.119 7.489 1.00 0.00 H new ATOM 59 N LEU A 27 -4.728 -7.202 8.572 1.00 0.00 N ATOM 60 CA LEU A 27 -3.499 -6.447 8.746 1.00 0.00 C ATOM 61 C LEU A 27 -2.511 -6.827 7.641 1.00 0.00 C ATOM 62 O LEU A 27 -1.881 -7.882 7.703 1.00 0.00 O ATOM 63 CB LEU A 27 -2.945 -6.641 10.159 1.00 0.00 C ATOM 64 CG LEU A 27 -1.741 -7.576 10.285 1.00 0.00 C ATOM 65 CD1 LEU A 27 -0.491 -6.947 9.667 1.00 0.00 C ATOM 66 CD2 LEU A 27 -1.516 -7.987 11.741 1.00 0.00 C ATOM 0 H LEU A 27 -4.608 -8.119 8.141 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.692 -5.379 8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.665 -5.665 10.555 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.745 -7.024 10.792 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.955 -8.485 9.723 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.350 -7.632 9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.669 -6.747 8.610 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.263 -6.013 10.180 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.654 -8.652 11.802 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.333 -7.099 12.346 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.400 -8.504 12.114 1.00 0.00 H new ATOM 78 N LEU A 28 -2.408 -5.948 6.655 1.00 0.00 N ATOM 79 CA LEU A 28 -1.508 -6.179 5.538 1.00 0.00 C ATOM 80 C LEU A 28 -0.094 -6.423 6.069 1.00 0.00 C ATOM 81 O LEU A 28 0.170 -6.225 7.254 1.00 0.00 O ATOM 82 CB LEU A 28 -1.597 -5.030 4.531 1.00 0.00 C ATOM 83 CG LEU A 28 -1.376 -5.405 3.065 1.00 0.00 C ATOM 84 CD1 LEU A 28 -2.276 -4.576 2.146 1.00 0.00 C ATOM 85 CD2 LEU A 28 0.101 -5.281 2.684 1.00 0.00 C ATOM 0 H LEU A 28 -2.933 -5.075 6.606 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.802 -7.075 4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.580 -4.568 4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.862 -4.274 4.807 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.656 -6.450 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.099 -4.862 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.320 -4.757 2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.050 -3.517 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.231 -5.553 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.431 -4.253 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.695 -5.948 3.309 1.00 0.00 H new ATOM 97 N TYR A 29 0.778 -6.848 5.167 1.00 0.00 N ATOM 98 CA TYR A 29 2.158 -7.121 5.530 1.00 0.00 C ATOM 99 C TYR A 29 3.002 -7.425 4.291 1.00 0.00 C ATOM 100 O TYR A 29 2.497 -7.970 3.311 1.00 0.00 O ATOM 101 CB TYR A 29 2.122 -8.361 6.425 1.00 0.00 C ATOM 102 CG TYR A 29 3.410 -9.186 6.399 1.00 0.00 C ATOM 103 CD1 TYR A 29 4.584 -8.647 6.885 1.00 0.00 C ATOM 104 CD2 TYR A 29 3.398 -10.468 5.889 1.00 0.00 C ATOM 105 CE1 TYR A 29 5.797 -9.423 6.860 1.00 0.00 C ATOM 106 CE2 TYR A 29 4.611 -11.244 5.864 1.00 0.00 C ATOM 107 CZ TYR A 29 5.750 -10.684 6.351 1.00 0.00 C ATOM 108 OH TYR A 29 6.896 -11.417 6.327 1.00 0.00 O ATOM 0 H TYR A 29 0.555 -7.010 4.185 1.00 0.00 H new ATOM 0 HA TYR A 29 2.601 -6.259 6.028 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.923 -8.050 7.451 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.291 -8.995 6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.593 -7.643 7.284 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.479 -10.889 5.509 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.723 -9.013 7.237 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.616 -12.248 5.467 1.00 0.00 H new ATOM 0 HH TYR A 29 7.107 -11.664 5.402 1.00 0.00 H new ATOM 118 N CYS A 30 4.273 -7.060 4.375 1.00 0.00 N ATOM 119 CA CYS A 30 5.191 -7.288 3.272 1.00 0.00 C ATOM 120 C CYS A 30 5.500 -8.785 3.205 1.00 0.00 C ATOM 121 O CYS A 30 5.306 -9.507 4.182 1.00 0.00 O ATOM 122 CB CYS A 30 6.462 -6.449 3.413 1.00 0.00 C ATOM 123 SG CYS A 30 6.164 -4.752 2.795 1.00 0.00 S ATOM 0 H CYS A 30 4.689 -6.608 5.190 1.00 0.00 H new ATOM 0 HA CYS A 30 4.727 -6.972 2.338 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.771 -6.415 4.458 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.276 -6.911 2.854 1.00 0.00 H new ATOM 0 HG CYS A 30 5.035 -4.717 2.151 1.00 0.00 H new ATOM 129 N SER A 31 5.975 -9.207 2.043 1.00 0.00 N ATOM 130 CA SER A 31 6.312 -10.605 1.835 1.00 0.00 C ATOM 131 C SER A 31 7.578 -10.960 2.618 1.00 0.00 C ATOM 132 O SER A 31 7.510 -11.274 3.805 1.00 0.00 O ATOM 133 CB SER A 31 6.504 -10.911 0.349 1.00 0.00 C ATOM 134 OG SER A 31 7.763 -10.448 -0.133 1.00 0.00 O ATOM 0 H SER A 31 6.135 -8.605 1.235 1.00 0.00 H new ATOM 0 HA SER A 31 5.484 -11.214 2.199 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.427 -11.986 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.703 -10.444 -0.224 1.00 0.00 H new ATOM 0 HG SER A 31 8.281 -11.206 -0.475 1.00 0.00 H new ATOM 168 N HIS A 35 7.939 -4.997 5.847 1.00 0.00 N ATOM 169 CA HIS A 35 7.233 -4.182 6.820 1.00 0.00 C ATOM 170 C HIS A 35 5.724 -4.350 6.633 1.00 0.00 C ATOM 171 O HIS A 35 5.282 -5.066 5.736 1.00 0.00 O ATOM 172 CB HIS A 35 7.682 -2.722 6.733 1.00 0.00 C ATOM 173 CG HIS A 35 9.173 -2.528 6.874 1.00 0.00 C ATOM 174 ND1 HIS A 35 10.097 -3.342 6.243 1.00 0.00 N ATOM 175 CD2 HIS A 35 9.889 -1.606 7.578 1.00 0.00 C ATOM 176 CE1 HIS A 35 11.312 -2.920 6.561 1.00 0.00 C ATOM 177 NE2 HIS A 35 11.181 -1.844 7.389 1.00 0.00 N ATOM 0 HA HIS A 35 7.478 -4.518 7.827 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.361 -2.311 5.776 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.176 -2.150 7.511 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.880 -4.133 5.636 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.475 -0.816 8.187 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.243 -3.352 6.224 1.00 0.00 H new ATOM 185 N PHE A 36 4.974 -3.678 7.495 1.00 0.00 N ATOM 186 CA PHE A 36 3.524 -3.745 7.435 1.00 0.00 C ATOM 187 C PHE A 36 2.922 -2.361 7.183 1.00 0.00 C ATOM 188 O PHE A 36 2.779 -1.563 8.108 1.00 0.00 O ATOM 189 CB PHE A 36 3.043 -4.256 8.795 1.00 0.00 C ATOM 190 CG PHE A 36 3.558 -5.652 9.151 1.00 0.00 C ATOM 191 CD1 PHE A 36 4.851 -5.824 9.534 1.00 0.00 C ATOM 192 CD2 PHE A 36 2.721 -6.723 9.086 1.00 0.00 C ATOM 193 CE1 PHE A 36 5.329 -7.119 9.864 1.00 0.00 C ATOM 194 CE2 PHE A 36 3.198 -8.018 9.416 1.00 0.00 C ATOM 195 CZ PHE A 36 4.492 -8.190 9.799 1.00 0.00 C ATOM 0 H PHE A 36 5.343 -3.085 8.238 1.00 0.00 H new ATOM 0 HA PHE A 36 3.215 -4.401 6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.359 -3.555 9.568 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.953 -4.269 8.802 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.515 -4.974 9.587 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.693 -6.587 8.783 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.357 -7.254 10.167 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.533 -8.868 9.363 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.855 -9.176 10.051 1.00 0.00 H new ATOM 205 N LEU A 37 2.584 -2.118 5.925 1.00 0.00 N ATOM 206 CA LEU A 37 2.001 -0.845 5.539 1.00 0.00 C ATOM 207 C LEU A 37 1.121 -0.325 6.678 1.00 0.00 C ATOM 208 O LEU A 37 0.441 -1.103 7.346 1.00 0.00 O ATOM 209 CB LEU A 37 1.264 -0.975 4.204 1.00 0.00 C ATOM 210 CG LEU A 37 1.984 -0.403 2.982 1.00 0.00 C ATOM 211 CD1 LEU A 37 1.237 -0.749 1.692 1.00 0.00 C ATOM 212 CD2 LEU A 37 2.203 1.104 3.130 1.00 0.00 C ATOM 0 H LEU A 37 2.703 -2.782 5.160 1.00 0.00 H new ATOM 0 HA LEU A 37 2.783 -0.103 5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.066 -2.031 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.297 -0.480 4.296 1.00 0.00 H new ATOM 0 HG LEU A 37 2.968 -0.867 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.771 -0.330 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.177 -1.832 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.231 -0.332 1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.717 1.485 2.248 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.240 1.603 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.809 1.298 4.015 1.00 0.00 H new ATOM 224 N ARG A 38 1.163 0.986 6.865 1.00 0.00 N ATOM 225 CA ARG A 38 0.379 1.618 7.912 1.00 0.00 C ATOM 226 C ARG A 38 -0.171 2.961 7.426 1.00 0.00 C ATOM 227 O ARG A 38 0.463 3.640 6.620 1.00 0.00 O ATOM 228 CB ARG A 38 1.220 1.844 9.170 1.00 0.00 C ATOM 229 CG ARG A 38 2.341 2.851 8.906 1.00 0.00 C ATOM 230 CD ARG A 38 2.771 3.545 10.200 1.00 0.00 C ATOM 231 NE ARG A 38 3.241 2.540 11.180 1.00 0.00 N ATOM 232 CZ ARG A 38 4.040 2.821 12.219 1.00 0.00 C ATOM 233 NH1 ARG A 38 4.463 4.076 12.418 1.00 0.00 N ATOM 234 NH2 ARG A 38 4.416 1.846 13.057 1.00 0.00 N ATOM 0 H ARG A 38 1.728 1.628 6.309 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.447 0.950 8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.583 2.206 9.977 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.647 0.897 9.501 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.196 2.341 8.461 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.004 3.595 8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.566 4.261 9.992 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.935 4.108 10.616 1.00 0.00 H new ATOM 0 HE ARG A 38 2.938 1.574 11.057 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.177 4.818 11.779 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.071 4.290 13.209 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.094 0.890 12.904 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.024 2.059 13.848 1.00 0.00 H new ATOM 248 N ILE A 39 -1.345 3.303 7.936 1.00 0.00 N ATOM 249 CA ILE A 39 -1.987 4.552 7.564 1.00 0.00 C ATOM 250 C ILE A 39 -2.332 5.340 8.829 1.00 0.00 C ATOM 251 O ILE A 39 -3.146 4.896 9.638 1.00 0.00 O ATOM 252 CB ILE A 39 -3.190 4.287 6.657 1.00 0.00 C ATOM 253 CG1 ILE A 39 -3.110 5.127 5.381 1.00 0.00 C ATOM 254 CG2 ILE A 39 -4.503 4.510 7.409 1.00 0.00 C ATOM 255 CD1 ILE A 39 -3.018 6.618 5.711 1.00 0.00 C ATOM 0 H ILE A 39 -1.868 2.737 8.604 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.306 5.170 6.979 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.166 3.240 6.355 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.240 4.826 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.989 4.941 4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.342 4.315 6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.553 3.833 8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.551 5.541 7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.962 7.193 4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.901 6.921 6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.125 6.804 6.308 1.00 0.00 H new ATOM 267 N LEU A 40 -1.697 6.495 8.961 1.00 0.00 N ATOM 268 CA LEU A 40 -1.927 7.348 10.115 1.00 0.00 C ATOM 269 C LEU A 40 -3.134 8.248 9.845 1.00 0.00 C ATOM 270 O LEU A 40 -3.321 8.723 8.726 1.00 0.00 O ATOM 271 CB LEU A 40 -0.654 8.117 10.474 1.00 0.00 C ATOM 272 CG LEU A 40 0.666 7.392 10.207 1.00 0.00 C ATOM 273 CD1 LEU A 40 1.801 8.390 9.965 1.00 0.00 C ATOM 274 CD2 LEU A 40 0.994 6.414 11.337 1.00 0.00 C ATOM 0 H LEU A 40 -1.023 6.860 8.288 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.167 6.747 10.992 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.650 9.054 9.917 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.696 8.376 11.532 1.00 0.00 H new ATOM 0 HG LEU A 40 0.554 6.804 9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.728 7.848 9.778 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.562 9.010 9.101 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.922 9.023 10.844 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.937 5.912 11.122 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.079 6.959 12.277 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.199 5.673 11.419 1.00 0.00 H new ATOM 286 N PRO A 41 -3.943 8.462 10.917 1.00 0.00 N ATOM 287 CA PRO A 41 -5.127 9.297 10.807 1.00 0.00 C ATOM 288 C PRO A 41 -4.750 10.779 10.753 1.00 0.00 C ATOM 289 O PRO A 41 -5.618 11.647 10.829 1.00 0.00 O ATOM 290 CB PRO A 41 -5.972 8.943 12.019 1.00 0.00 C ATOM 291 CG PRO A 41 -5.029 8.271 13.003 1.00 0.00 C ATOM 292 CD PRO A 41 -3.753 7.916 12.257 1.00 0.00 C ATOM 0 HA PRO A 41 -5.682 9.120 9.886 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.421 9.835 12.456 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.789 8.276 11.744 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.810 8.937 13.838 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.488 7.375 13.421 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.878 8.350 12.741 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.599 6.837 12.227 1.00 0.00 H new ATOM 300 N ASP A 42 -3.454 11.022 10.622 1.00 0.00 N ATOM 301 CA ASP A 42 -2.952 12.384 10.557 1.00 0.00 C ATOM 302 C ASP A 42 -2.839 12.812 9.092 1.00 0.00 C ATOM 303 O ASP A 42 -2.939 13.997 8.779 1.00 0.00 O ATOM 304 CB ASP A 42 -1.562 12.489 11.188 1.00 0.00 C ATOM 305 CG ASP A 42 -1.293 13.790 11.946 1.00 0.00 C ATOM 306 OD1 ASP A 42 -1.557 14.858 11.351 1.00 0.00 O ATOM 307 OD2 ASP A 42 -0.828 13.689 13.102 1.00 0.00 O ATOM 0 H ASP A 42 -2.737 10.299 10.559 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.645 13.025 11.101 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.426 11.652 11.873 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.814 12.382 10.403 1.00 0.00 H new ATOM 312 N GLY A 43 -2.631 11.824 8.234 1.00 0.00 N ATOM 313 CA GLY A 43 -2.503 12.083 6.810 1.00 0.00 C ATOM 314 C GLY A 43 -1.130 11.649 6.295 1.00 0.00 C ATOM 315 O GLY A 43 -0.727 12.028 5.196 1.00 0.00 O ATOM 0 H GLY A 43 -2.548 10.842 8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.284 11.549 6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.649 13.146 6.615 1.00 0.00 H new ATOM 319 N THR A 44 -0.449 10.859 7.113 1.00 0.00 N ATOM 320 CA THR A 44 0.871 10.369 6.753 1.00 0.00 C ATOM 321 C THR A 44 0.882 8.840 6.721 1.00 0.00 C ATOM 322 O THR A 44 0.385 8.192 7.641 1.00 0.00 O ATOM 323 CB THR A 44 1.880 10.963 7.738 1.00 0.00 C ATOM 324 OG1 THR A 44 2.277 12.190 7.131 1.00 0.00 O ATOM 325 CG2 THR A 44 3.174 10.149 7.813 1.00 0.00 C ATOM 0 H THR A 44 -0.787 10.546 8.023 1.00 0.00 H new ATOM 0 HA THR A 44 1.150 10.686 5.748 1.00 0.00 H new ATOM 0 HB THR A 44 1.429 11.020 8.729 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.930 12.642 7.705 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.855 10.614 8.526 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.947 9.133 8.137 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.643 10.120 6.829 1.00 0.00 H new ATOM 333 N VAL A 45 1.452 8.306 5.651 1.00 0.00 N ATOM 334 CA VAL A 45 1.534 6.865 5.486 1.00 0.00 C ATOM 335 C VAL A 45 2.994 6.424 5.605 1.00 0.00 C ATOM 336 O VAL A 45 3.902 7.253 5.561 1.00 0.00 O ATOM 337 CB VAL A 45 0.891 6.452 4.160 1.00 0.00 C ATOM 338 CG1 VAL A 45 0.937 7.599 3.148 1.00 0.00 C ATOM 339 CG2 VAL A 45 1.556 5.196 3.596 1.00 0.00 C ATOM 0 H VAL A 45 1.862 8.846 4.889 1.00 0.00 H new ATOM 0 HA VAL A 45 0.976 6.359 6.274 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.156 6.218 4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.474 7.279 2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.396 8.457 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.974 7.878 2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.080 4.924 2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.615 5.390 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.448 4.377 4.307 1.00 0.00 H new ATOM 349 N ASP A 46 3.175 5.120 5.754 1.00 0.00 N ATOM 350 CA ASP A 46 4.510 4.559 5.879 1.00 0.00 C ATOM 351 C ASP A 46 4.404 3.056 6.142 1.00 0.00 C ATOM 352 O ASP A 46 3.316 2.486 6.075 1.00 0.00 O ATOM 353 CB ASP A 46 5.265 5.192 7.050 1.00 0.00 C ATOM 354 CG ASP A 46 4.410 6.053 7.982 1.00 0.00 C ATOM 355 OD1 ASP A 46 3.246 5.658 8.210 1.00 0.00 O ATOM 356 OD2 ASP A 46 4.939 7.086 8.445 1.00 0.00 O ATOM 0 H ASP A 46 2.420 4.436 5.791 1.00 0.00 H new ATOM 0 HA ASP A 46 5.048 4.758 4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.727 4.398 7.636 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.073 5.806 6.652 1.00 0.00 H new ATOM 361 N GLY A 47 5.548 2.457 6.436 1.00 0.00 N ATOM 362 CA GLY A 47 5.598 1.031 6.710 1.00 0.00 C ATOM 363 C GLY A 47 6.429 0.741 7.961 1.00 0.00 C ATOM 364 O GLY A 47 7.460 1.373 8.186 1.00 0.00 O ATOM 0 H GLY A 47 6.448 2.933 6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.587 0.647 6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.027 0.508 5.855 1.00 0.00 H new ATOM 368 N THR A 48 5.949 -0.215 8.743 1.00 0.00 N ATOM 369 CA THR A 48 6.635 -0.596 9.966 1.00 0.00 C ATOM 370 C THR A 48 7.136 -2.038 9.869 1.00 0.00 C ATOM 371 O THR A 48 6.364 -2.949 9.575 1.00 0.00 O ATOM 372 CB THR A 48 5.678 -0.363 11.137 1.00 0.00 C ATOM 373 OG1 THR A 48 5.045 0.875 10.827 1.00 0.00 O ATOM 374 CG2 THR A 48 6.414 -0.087 12.449 1.00 0.00 C ATOM 0 H THR A 48 5.093 -0.737 8.553 1.00 0.00 H new ATOM 0 HA THR A 48 7.524 0.014 10.127 1.00 0.00 H new ATOM 0 HB THR A 48 5.035 -1.234 11.258 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.726 1.544 10.604 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.688 0.071 13.247 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.047 -0.939 12.698 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.032 0.804 12.339 1.00 0.00 H new ATOM 382 N ARG A 49 8.427 -2.200 10.122 1.00 0.00 N ATOM 383 CA ARG A 49 9.041 -3.516 10.067 1.00 0.00 C ATOM 384 C ARG A 49 8.092 -4.569 10.644 1.00 0.00 C ATOM 385 O ARG A 49 8.000 -5.679 10.122 1.00 0.00 O ATOM 386 CB ARG A 49 10.357 -3.543 10.846 1.00 0.00 C ATOM 387 CG ARG A 49 11.163 -4.801 10.518 1.00 0.00 C ATOM 388 CD ARG A 49 11.457 -5.610 11.783 1.00 0.00 C ATOM 389 NE ARG A 49 12.875 -5.441 12.173 1.00 0.00 N ATOM 390 CZ ARG A 49 13.557 -6.317 12.923 1.00 0.00 C ATOM 391 NH1 ARG A 49 12.956 -7.429 13.368 1.00 0.00 N ATOM 392 NH2 ARG A 49 14.840 -6.081 13.228 1.00 0.00 N ATOM 0 H ARG A 49 9.064 -1.442 10.366 1.00 0.00 H new ATOM 0 HA ARG A 49 9.247 -3.742 9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.945 -2.657 10.605 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.151 -3.507 11.916 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.610 -5.417 9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.099 -4.522 10.035 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.807 -5.282 12.594 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.242 -6.664 11.609 1.00 0.00 H new ATOM 0 HE ARG A 49 13.363 -4.606 11.851 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.979 -7.609 13.136 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.475 -8.096 13.939 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.297 -5.235 12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 49 15.359 -6.748 13.799 1.00 0.00 H new ATOM 406 N ASP A 50 7.412 -4.183 11.713 1.00 0.00 N ATOM 407 CA ASP A 50 6.474 -5.080 12.367 1.00 0.00 C ATOM 408 C ASP A 50 5.272 -4.277 12.868 1.00 0.00 C ATOM 409 O ASP A 50 5.424 -3.368 13.682 1.00 0.00 O ATOM 410 CB ASP A 50 7.118 -5.769 13.571 1.00 0.00 C ATOM 411 CG ASP A 50 8.077 -6.911 13.227 1.00 0.00 C ATOM 412 OD1 ASP A 50 7.774 -7.631 12.251 1.00 0.00 O ATOM 413 OD2 ASP A 50 9.090 -7.038 13.948 1.00 0.00 O ATOM 0 H ASP A 50 7.492 -3.261 12.143 1.00 0.00 H new ATOM 0 HA ASP A 50 6.168 -5.834 11.642 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.660 -5.022 14.151 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.328 -6.159 14.213 1.00 0.00 H new ATOM 418 N ARG A 51 4.103 -4.643 12.361 1.00 0.00 N ATOM 419 CA ARG A 51 2.876 -3.968 12.747 1.00 0.00 C ATOM 420 C ARG A 51 2.938 -3.555 14.219 1.00 0.00 C ATOM 421 O ARG A 51 3.076 -4.402 15.100 1.00 0.00 O ATOM 422 CB ARG A 51 1.659 -4.869 12.529 1.00 0.00 C ATOM 423 CG ARG A 51 1.843 -6.218 13.228 1.00 0.00 C ATOM 424 CD ARG A 51 2.232 -7.306 12.226 1.00 0.00 C ATOM 425 NE ARG A 51 3.049 -8.343 12.896 1.00 0.00 N ATOM 426 CZ ARG A 51 3.058 -9.636 12.545 1.00 0.00 C ATOM 427 NH1 ARG A 51 2.294 -10.059 11.529 1.00 0.00 N ATOM 428 NH2 ARG A 51 3.831 -10.505 13.210 1.00 0.00 N ATOM 0 H ARG A 51 3.980 -5.398 11.686 1.00 0.00 H new ATOM 0 HA ARG A 51 2.775 -3.082 12.121 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.765 -4.377 12.911 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.505 -5.027 11.461 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.613 -6.132 13.994 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.919 -6.498 13.734 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.336 -7.757 11.800 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.792 -6.868 11.400 1.00 0.00 H new ATOM 0 HE ARG A 51 3.643 -8.055 13.674 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.706 -9.397 11.023 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.301 -11.043 11.261 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.412 -10.182 13.983 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.838 -11.489 12.943 1.00 0.00 H new ATOM 442 N SER A 52 2.833 -2.252 14.440 1.00 0.00 N ATOM 443 CA SER A 52 2.875 -1.717 15.790 1.00 0.00 C ATOM 444 C SER A 52 2.745 -0.193 15.753 1.00 0.00 C ATOM 445 O SER A 52 3.705 0.523 16.033 1.00 0.00 O ATOM 446 CB SER A 52 4.167 -2.121 16.503 1.00 0.00 C ATOM 447 OG SER A 52 4.573 -1.151 17.465 1.00 0.00 O ATOM 0 H SER A 52 2.719 -1.552 13.707 1.00 0.00 H new ATOM 0 HA SER A 52 2.037 -2.134 16.349 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.023 -3.082 16.996 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.960 -2.256 15.767 1.00 0.00 H new ATOM 0 HG SER A 52 4.761 -0.302 17.014 1.00 0.00 H new ATOM 453 N ASP A 53 1.549 0.258 15.404 1.00 0.00 N ATOM 454 CA ASP A 53 1.280 1.684 15.326 1.00 0.00 C ATOM 455 C ASP A 53 -0.159 1.953 15.770 1.00 0.00 C ATOM 456 O ASP A 53 -0.865 1.036 16.187 1.00 0.00 O ATOM 457 CB ASP A 53 1.436 2.197 13.893 1.00 0.00 C ATOM 458 CG ASP A 53 1.885 3.654 13.772 1.00 0.00 C ATOM 459 OD1 ASP A 53 2.579 4.113 14.705 1.00 0.00 O ATOM 460 OD2 ASP A 53 1.524 4.277 12.750 1.00 0.00 O ATOM 0 H ASP A 53 0.755 -0.339 15.172 1.00 0.00 H new ATOM 0 HA ASP A 53 1.993 2.197 15.972 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.158 1.566 13.374 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.483 2.082 13.377 1.00 0.00 H new ATOM 465 N GLN A 54 -0.551 3.214 15.667 1.00 0.00 N ATOM 466 CA GLN A 54 -1.893 3.615 16.053 1.00 0.00 C ATOM 467 C GLN A 54 -2.933 2.809 15.272 1.00 0.00 C ATOM 468 O GLN A 54 -3.975 2.444 15.814 1.00 0.00 O ATOM 469 CB GLN A 54 -2.097 5.117 15.848 1.00 0.00 C ATOM 470 CG GLN A 54 -2.502 5.424 14.405 1.00 0.00 C ATOM 471 CD GLN A 54 -1.343 5.158 13.441 1.00 0.00 C ATOM 472 OE1 GLN A 54 -0.233 5.630 13.620 1.00 0.00 O ATOM 473 NE2 GLN A 54 -1.663 4.378 12.413 1.00 0.00 N ATOM 0 H GLN A 54 0.038 3.972 15.322 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.022 3.406 17.115 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.866 5.479 16.530 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.178 5.649 16.092 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.359 4.811 14.126 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.815 6.465 14.325 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.612 4.016 12.324 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.959 4.141 11.714 1.00 0.00 H new ATOM 482 N HIS A 55 -2.614 2.556 14.011 1.00 0.00 N ATOM 483 CA HIS A 55 -3.507 1.800 13.150 1.00 0.00 C ATOM 484 C HIS A 55 -2.880 1.652 11.763 1.00 0.00 C ATOM 485 O HIS A 55 -2.789 2.623 11.012 1.00 0.00 O ATOM 486 CB HIS A 55 -4.895 2.443 13.109 1.00 0.00 C ATOM 487 CG HIS A 55 -5.934 1.717 13.929 1.00 0.00 C ATOM 488 ND1 HIS A 55 -6.412 0.462 13.592 1.00 0.00 N ATOM 489 CD2 HIS A 55 -6.579 2.080 15.074 1.00 0.00 C ATOM 490 CE1 HIS A 55 -7.305 0.098 14.500 1.00 0.00 C ATOM 491 NE2 HIS A 55 -7.408 1.102 15.418 1.00 0.00 N ATOM 0 H HIS A 55 -1.749 2.861 13.565 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.647 0.798 13.555 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.819 3.470 13.466 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.232 2.489 12.073 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.125 -0.088 12.783 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.439 3.007 15.611 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.855 -0.831 14.512 1.00 0.00 H new ATOM 499 N ILE A 56 -2.465 0.430 11.463 1.00 0.00 N ATOM 500 CA ILE A 56 -1.849 0.143 10.179 1.00 0.00 C ATOM 501 C ILE A 56 -2.842 -0.621 9.301 1.00 0.00 C ATOM 502 O ILE A 56 -2.452 -1.247 8.317 1.00 0.00 O ATOM 503 CB ILE A 56 -0.516 -0.582 10.374 1.00 0.00 C ATOM 504 CG1 ILE A 56 -0.714 -2.099 10.390 1.00 0.00 C ATOM 505 CG2 ILE A 56 0.200 -0.084 11.631 1.00 0.00 C ATOM 506 CD1 ILE A 56 -1.757 -2.505 11.433 1.00 0.00 C ATOM 0 H ILE A 56 -2.543 -0.373 12.087 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.608 1.069 9.657 1.00 0.00 H new ATOM 0 HB ILE A 56 0.126 -0.350 9.524 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.030 -2.438 9.404 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.234 -2.591 10.608 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.145 -0.615 11.746 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.394 0.985 11.540 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.428 -0.266 12.503 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.879 -3.588 11.424 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.427 -2.186 12.421 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.710 -2.031 11.198 1.00 0.00 H new ATOM 518 N GLN A 57 -4.106 -0.545 9.690 1.00 0.00 N ATOM 519 CA GLN A 57 -5.158 -1.222 8.951 1.00 0.00 C ATOM 520 C GLN A 57 -5.002 -0.966 7.451 1.00 0.00 C ATOM 521 O GLN A 57 -4.556 0.105 7.043 1.00 0.00 O ATOM 522 CB GLN A 57 -6.541 -0.786 9.441 1.00 0.00 C ATOM 523 CG GLN A 57 -7.365 -1.991 9.900 1.00 0.00 C ATOM 524 CD GLN A 57 -7.949 -1.756 11.294 1.00 0.00 C ATOM 525 OE1 GLN A 57 -7.240 -1.561 12.268 1.00 0.00 O ATOM 526 NE2 GLN A 57 -9.278 -1.784 11.336 1.00 0.00 N ATOM 0 H GLN A 57 -4.425 -0.025 10.507 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.068 -2.294 9.128 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.433 -0.080 10.264 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.067 -0.265 8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.171 -2.176 9.190 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.738 -2.883 9.910 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.812 -1.952 10.483 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.763 -1.637 12.221 1.00 0.00 H new ATOM 535 N LEU A 58 -5.378 -1.968 6.669 1.00 0.00 N ATOM 536 CA LEU A 58 -5.286 -1.865 5.223 1.00 0.00 C ATOM 537 C LEU A 58 -6.356 -2.752 4.583 1.00 0.00 C ATOM 538 O LEU A 58 -6.959 -3.586 5.256 1.00 0.00 O ATOM 539 CB LEU A 58 -3.864 -2.180 4.753 1.00 0.00 C ATOM 540 CG LEU A 58 -2.888 -1.003 4.734 1.00 0.00 C ATOM 541 CD1 LEU A 58 -1.587 -1.358 5.457 1.00 0.00 C ATOM 542 CD2 LEU A 58 -2.636 -0.523 3.303 1.00 0.00 C ATOM 0 H LEU A 58 -5.747 -2.855 7.010 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.485 -0.843 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.453 -2.957 5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.919 -2.597 3.747 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.342 -0.174 5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.910 -0.504 5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.805 -1.614 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.117 -2.209 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.939 0.315 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.213 -1.337 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.577 -0.204 2.855 1.00 0.00 H new ATOM 554 N GLN A 59 -6.559 -2.541 3.291 1.00 0.00 N ATOM 555 CA GLN A 59 -7.546 -3.311 2.553 1.00 0.00 C ATOM 556 C GLN A 59 -7.573 -2.872 1.087 1.00 0.00 C ATOM 557 O GLN A 59 -7.411 -1.691 0.786 1.00 0.00 O ATOM 558 CB GLN A 59 -8.931 -3.181 3.190 1.00 0.00 C ATOM 559 CG GLN A 59 -9.827 -4.358 2.798 1.00 0.00 C ATOM 560 CD GLN A 59 -9.764 -5.468 3.849 1.00 0.00 C ATOM 561 OE1 GLN A 59 -8.980 -6.399 3.760 1.00 0.00 O ATOM 562 NE2 GLN A 59 -10.632 -5.320 4.846 1.00 0.00 N ATOM 0 H GLN A 59 -6.057 -1.848 2.736 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.262 -4.363 2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.834 -3.139 4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.394 -2.246 2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.856 -4.015 2.687 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.515 -4.750 1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.261 -4.517 4.860 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.669 -6.010 5.597 1.00 0.00 H new ATOM 571 N LEU A 60 -7.780 -3.847 0.215 1.00 0.00 N ATOM 572 CA LEU A 60 -7.831 -3.577 -1.212 1.00 0.00 C ATOM 573 C LEU A 60 -9.291 -3.533 -1.667 1.00 0.00 C ATOM 574 O LEU A 60 -10.176 -4.032 -0.973 1.00 0.00 O ATOM 575 CB LEU A 60 -6.978 -4.589 -1.980 1.00 0.00 C ATOM 576 CG LEU A 60 -5.773 -5.157 -1.228 1.00 0.00 C ATOM 577 CD1 LEU A 60 -5.277 -6.448 -1.884 1.00 0.00 C ATOM 578 CD2 LEU A 60 -4.661 -4.113 -1.104 1.00 0.00 C ATOM 0 H LEU A 60 -7.914 -4.826 0.469 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.399 -2.600 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.617 -5.419 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.620 -4.114 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.090 -5.410 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.420 -6.831 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.075 -7.190 -1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.982 -6.243 -2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.817 -4.543 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.338 -3.805 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.035 -3.246 -0.560 1.00 0.00 H new ATOM 590 N SER A 61 -9.498 -2.932 -2.829 1.00 0.00 N ATOM 591 CA SER A 61 -10.835 -2.817 -3.385 1.00 0.00 C ATOM 592 C SER A 61 -10.777 -2.900 -4.911 1.00 0.00 C ATOM 593 O SER A 61 -11.294 -2.025 -5.604 1.00 0.00 O ATOM 594 CB SER A 61 -11.502 -1.510 -2.949 1.00 0.00 C ATOM 595 OG SER A 61 -12.585 -1.153 -3.803 1.00 0.00 O ATOM 0 H SER A 61 -8.761 -2.519 -3.401 1.00 0.00 H new ATOM 0 HA SER A 61 -11.435 -3.644 -3.006 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.865 -1.612 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.763 -0.709 -2.947 1.00 0.00 H new ATOM 0 HG SER A 61 -12.309 -1.248 -4.739 1.00 0.00 H new ATOM 601 N ALA A 62 -10.143 -3.960 -5.391 1.00 0.00 N ATOM 602 CA ALA A 62 -10.011 -4.168 -6.822 1.00 0.00 C ATOM 603 C ALA A 62 -11.319 -3.778 -7.513 1.00 0.00 C ATOM 604 O ALA A 62 -12.386 -4.271 -7.154 1.00 0.00 O ATOM 605 CB ALA A 62 -9.620 -5.623 -7.093 1.00 0.00 C ATOM 0 H ALA A 62 -9.715 -4.684 -4.814 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.222 -3.537 -7.230 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.521 -5.779 -8.167 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.670 -5.841 -6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.390 -6.286 -6.700 1.00 0.00 H new ATOM 611 N GLU A 63 -11.192 -2.895 -8.494 1.00 0.00 N ATOM 612 CA GLU A 63 -12.351 -2.433 -9.239 1.00 0.00 C ATOM 613 C GLU A 63 -12.216 -2.807 -10.716 1.00 0.00 C ATOM 614 O GLU A 63 -13.098 -2.507 -11.519 1.00 0.00 O ATOM 615 CB GLU A 63 -12.545 -0.925 -9.070 1.00 0.00 C ATOM 616 CG GLU A 63 -11.431 -0.147 -9.772 1.00 0.00 C ATOM 617 CD GLU A 63 -12.002 0.774 -10.853 1.00 0.00 C ATOM 618 OE1 GLU A 63 -13.159 1.211 -10.672 1.00 0.00 O ATOM 619 OE2 GLU A 63 -11.268 1.020 -11.834 1.00 0.00 O ATOM 0 H GLU A 63 -10.305 -2.488 -8.790 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.237 -2.927 -8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.512 -0.631 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.557 -0.673 -8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.879 0.443 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.723 -0.844 -10.220 1.00 0.00 H new ATOM 626 N SER A 64 -11.104 -3.455 -11.030 1.00 0.00 N ATOM 627 CA SER A 64 -10.842 -3.873 -12.397 1.00 0.00 C ATOM 628 C SER A 64 -9.346 -4.132 -12.588 1.00 0.00 C ATOM 629 O SER A 64 -8.519 -3.289 -12.245 1.00 0.00 O ATOM 630 CB SER A 64 -11.331 -2.823 -13.397 1.00 0.00 C ATOM 631 OG SER A 64 -12.630 -3.128 -13.899 1.00 0.00 O ATOM 0 H SER A 64 -10.374 -3.701 -10.361 1.00 0.00 H new ATOM 0 HA SER A 64 -11.390 -4.796 -12.583 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.349 -1.845 -12.916 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.628 -2.758 -14.227 1.00 0.00 H new ATOM 0 HG SER A 64 -13.298 -2.963 -13.201 1.00 0.00 H new ATOM 637 N VAL A 65 -9.045 -5.300 -13.134 1.00 0.00 N ATOM 638 CA VAL A 65 -7.664 -5.680 -13.375 1.00 0.00 C ATOM 639 C VAL A 65 -6.889 -4.469 -13.897 1.00 0.00 C ATOM 640 O VAL A 65 -7.398 -3.710 -14.720 1.00 0.00 O ATOM 641 CB VAL A 65 -7.608 -6.879 -14.324 1.00 0.00 C ATOM 642 CG1 VAL A 65 -7.665 -8.196 -13.547 1.00 0.00 C ATOM 643 CG2 VAL A 65 -8.728 -6.808 -15.364 1.00 0.00 C ATOM 0 H VAL A 65 -9.734 -5.997 -13.417 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.188 -5.995 -12.446 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.656 -6.843 -14.854 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.624 -9.032 -14.245 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.818 -8.252 -12.863 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.594 -8.243 -12.979 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.665 -7.672 -16.026 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.694 -6.807 -14.859 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.624 -5.894 -15.949 1.00 0.00 H new ATOM 653 N GLY A 66 -5.671 -4.324 -13.396 1.00 0.00 N ATOM 654 CA GLY A 66 -4.822 -3.217 -13.801 1.00 0.00 C ATOM 655 C GLY A 66 -5.193 -1.937 -13.050 1.00 0.00 C ATOM 656 O GLY A 66 -4.501 -0.926 -13.159 1.00 0.00 O ATOM 0 H GLY A 66 -5.252 -4.955 -12.713 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.778 -3.466 -13.609 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.919 -3.054 -14.874 1.00 0.00 H new ATOM 660 N GLU A 67 -6.285 -2.022 -12.305 1.00 0.00 N ATOM 661 CA GLU A 67 -6.757 -0.883 -11.536 1.00 0.00 C ATOM 662 C GLU A 67 -7.550 -1.358 -10.316 1.00 0.00 C ATOM 663 O GLU A 67 -8.697 -1.782 -10.444 1.00 0.00 O ATOM 664 CB GLU A 67 -7.597 0.055 -12.404 1.00 0.00 C ATOM 665 CG GLU A 67 -7.157 1.509 -12.225 1.00 0.00 C ATOM 666 CD GLU A 67 -7.611 2.369 -13.407 1.00 0.00 C ATOM 667 OE1 GLU A 67 -7.417 1.907 -14.552 1.00 0.00 O ATOM 668 OE2 GLU A 67 -8.141 3.469 -13.138 1.00 0.00 O ATOM 0 H GLU A 67 -6.857 -2.862 -12.217 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.890 -0.322 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.502 -0.231 -13.452 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.650 -0.045 -12.140 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.573 1.907 -11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.072 1.556 -12.132 1.00 0.00 H new ATOM 675 N VAL A 68 -6.907 -1.270 -9.161 1.00 0.00 N ATOM 676 CA VAL A 68 -7.537 -1.685 -7.920 1.00 0.00 C ATOM 677 C VAL A 68 -7.473 -0.537 -6.911 1.00 0.00 C ATOM 678 O VAL A 68 -6.692 0.399 -7.079 1.00 0.00 O ATOM 679 CB VAL A 68 -6.885 -2.970 -7.405 1.00 0.00 C ATOM 680 CG1 VAL A 68 -7.069 -4.116 -8.403 1.00 0.00 C ATOM 681 CG2 VAL A 68 -5.404 -2.746 -7.095 1.00 0.00 C ATOM 0 H VAL A 68 -5.955 -0.917 -9.059 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.590 -1.914 -8.085 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.383 -3.251 -6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.596 -5.018 -8.013 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.133 -4.300 -8.554 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.609 -3.848 -9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.964 -3.674 -6.731 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.886 -2.430 -8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.305 -1.974 -6.332 1.00 0.00 H new ATOM 691 N TYR A 69 -8.304 -0.645 -5.885 1.00 0.00 N ATOM 692 CA TYR A 69 -8.351 0.373 -4.849 1.00 0.00 C ATOM 693 C TYR A 69 -7.806 -0.167 -3.525 1.00 0.00 C ATOM 694 O TYR A 69 -7.622 -1.373 -3.371 1.00 0.00 O ATOM 695 CB TYR A 69 -9.829 0.726 -4.672 1.00 0.00 C ATOM 696 CG TYR A 69 -10.321 1.832 -5.609 1.00 0.00 C ATOM 697 CD1 TYR A 69 -9.802 3.106 -5.503 1.00 0.00 C ATOM 698 CD2 TYR A 69 -11.283 1.554 -6.559 1.00 0.00 C ATOM 699 CE1 TYR A 69 -10.265 4.147 -6.385 1.00 0.00 C ATOM 700 CE2 TYR A 69 -11.745 2.595 -7.440 1.00 0.00 C ATOM 701 CZ TYR A 69 -11.214 3.840 -7.310 1.00 0.00 C ATOM 702 OH TYR A 69 -11.651 4.823 -8.142 1.00 0.00 O ATOM 0 H TYR A 69 -8.950 -1.422 -5.749 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.746 1.235 -5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.428 -0.169 -4.837 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.997 1.036 -3.641 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.049 3.323 -4.759 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.689 0.557 -6.641 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.868 5.149 -6.313 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -12.497 2.391 -8.188 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.959 5.587 -7.612 1.00 0.00 H new ATOM 712 N ILE A 70 -7.565 0.753 -2.603 1.00 0.00 N ATOM 713 CA ILE A 70 -7.045 0.385 -1.297 1.00 0.00 C ATOM 714 C ILE A 70 -7.652 1.303 -0.234 1.00 0.00 C ATOM 715 O ILE A 70 -7.619 2.525 -0.372 1.00 0.00 O ATOM 716 CB ILE A 70 -5.515 0.386 -1.309 1.00 0.00 C ATOM 717 CG1 ILE A 70 -4.974 -0.721 -2.217 1.00 0.00 C ATOM 718 CG2 ILE A 70 -4.955 0.288 0.111 1.00 0.00 C ATOM 719 CD1 ILE A 70 -3.452 -0.626 -2.349 1.00 0.00 C ATOM 0 H ILE A 70 -7.720 1.753 -2.734 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.338 -0.634 -1.044 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.177 1.336 -1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.248 -1.695 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.434 -0.645 -3.202 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.866 0.291 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.300 1.139 0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.300 -0.636 0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.093 -1.424 -2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.183 0.340 -2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.994 -0.726 -1.365 1.00 0.00 H new ATOM 731 N LYS A 71 -8.191 0.679 0.803 1.00 0.00 N ATOM 732 CA LYS A 71 -8.804 1.425 1.889 1.00 0.00 C ATOM 733 C LYS A 71 -8.352 0.835 3.226 1.00 0.00 C ATOM 734 O LYS A 71 -8.353 -0.383 3.404 1.00 0.00 O ATOM 735 CB LYS A 71 -10.324 1.468 1.718 1.00 0.00 C ATOM 736 CG LYS A 71 -10.915 2.714 2.381 1.00 0.00 C ATOM 737 CD LYS A 71 -12.086 2.345 3.295 1.00 0.00 C ATOM 738 CE LYS A 71 -11.587 1.847 4.652 1.00 0.00 C ATOM 739 NZ LYS A 71 -10.577 2.777 5.206 1.00 0.00 N ATOM 0 H LYS A 71 -8.216 -0.335 0.914 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.475 2.464 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.575 1.463 0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.768 0.574 2.155 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.144 3.223 2.959 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.253 3.412 1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.729 3.214 3.437 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.693 1.573 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.425 1.757 5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.154 0.853 4.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.485 2.620 6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.660 2.608 4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.876 3.758 5.032 1.00 0.00 H new ATOM 753 N SER A 72 -7.977 1.725 4.133 1.00 0.00 N ATOM 754 CA SER A 72 -7.523 1.307 5.449 1.00 0.00 C ATOM 755 C SER A 72 -8.717 1.171 6.395 1.00 0.00 C ATOM 756 O SER A 72 -8.893 1.986 7.299 1.00 0.00 O ATOM 757 CB SER A 72 -6.504 2.296 6.019 1.00 0.00 C ATOM 758 OG SER A 72 -6.158 1.988 7.367 1.00 0.00 O ATOM 0 H SER A 72 -7.978 2.734 3.983 1.00 0.00 H new ATOM 0 HA SER A 72 -7.033 0.338 5.351 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.605 2.286 5.403 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.912 3.305 5.971 1.00 0.00 H new ATOM 0 HG SER A 72 -5.276 1.562 7.389 1.00 0.00 H new ATOM 764 N THR A 73 -9.507 0.135 6.154 1.00 0.00 N ATOM 765 CA THR A 73 -10.680 -0.118 6.974 1.00 0.00 C ATOM 766 C THR A 73 -10.367 0.143 8.448 1.00 0.00 C ATOM 767 O THR A 73 -9.847 -0.731 9.140 1.00 0.00 O ATOM 768 CB THR A 73 -11.151 -1.547 6.697 1.00 0.00 C ATOM 769 OG1 THR A 73 -12.404 -1.636 7.369 1.00 0.00 O ATOM 770 CG2 THR A 73 -10.280 -2.596 7.391 1.00 0.00 C ATOM 0 H THR A 73 -9.358 -0.539 5.403 1.00 0.00 H new ATOM 0 HA THR A 73 -11.493 0.563 6.722 1.00 0.00 H new ATOM 0 HB THR A 73 -11.149 -1.728 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.782 -2.531 7.240 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.658 -3.592 7.161 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.253 -2.507 7.038 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.308 -2.437 8.469 1.00 0.00 H new ATOM 778 N GLU A 74 -10.696 1.350 8.885 1.00 0.00 N ATOM 779 CA GLU A 74 -10.456 1.737 10.265 1.00 0.00 C ATOM 780 C GLU A 74 -10.852 3.199 10.483 1.00 0.00 C ATOM 781 O GLU A 74 -11.555 3.520 11.439 1.00 0.00 O ATOM 782 CB GLU A 74 -8.996 1.501 10.655 1.00 0.00 C ATOM 783 CG GLU A 74 -8.634 2.277 11.923 1.00 0.00 C ATOM 784 CD GLU A 74 -9.433 1.766 13.125 1.00 0.00 C ATOM 785 OE1 GLU A 74 -10.110 0.729 12.957 1.00 0.00 O ATOM 786 OE2 GLU A 74 -9.348 2.425 14.184 1.00 0.00 O ATOM 0 H GLU A 74 -11.127 2.072 8.308 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.075 1.113 10.909 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.826 0.436 10.815 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.343 1.808 9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.567 2.178 12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.833 3.338 11.774 1.00 0.00 H new ATOM 793 N THR A 75 -10.383 4.047 9.579 1.00 0.00 N ATOM 794 CA THR A 75 -10.679 5.467 9.660 1.00 0.00 C ATOM 795 C THR A 75 -10.898 6.046 8.261 1.00 0.00 C ATOM 796 O THR A 75 -10.368 7.107 7.934 1.00 0.00 O ATOM 797 CB THR A 75 -9.541 6.144 10.426 1.00 0.00 C ATOM 798 OG1 THR A 75 -9.899 7.523 10.431 1.00 0.00 O ATOM 799 CG2 THR A 75 -8.216 6.105 9.663 1.00 0.00 C ATOM 0 H THR A 75 -9.800 3.778 8.787 1.00 0.00 H new ATOM 0 HA THR A 75 -11.607 5.647 10.202 1.00 0.00 H new ATOM 0 HB THR A 75 -9.416 5.658 11.394 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.022 7.832 9.509 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.443 6.599 10.251 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.929 5.069 9.484 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.330 6.620 8.709 1.00 0.00 H new ATOM 807 N GLY A 76 -11.682 5.325 7.472 1.00 0.00 N ATOM 808 CA GLY A 76 -11.978 5.754 6.116 1.00 0.00 C ATOM 809 C GLY A 76 -10.757 6.411 5.470 1.00 0.00 C ATOM 810 O GLY A 76 -10.845 7.527 4.960 1.00 0.00 O ATOM 0 H GLY A 76 -12.121 4.446 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.292 4.897 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.811 6.457 6.127 1.00 0.00 H new ATOM 814 N GLN A 77 -9.645 5.691 5.513 1.00 0.00 N ATOM 815 CA GLN A 77 -8.408 6.190 4.938 1.00 0.00 C ATOM 816 C GLN A 77 -8.030 5.373 3.700 1.00 0.00 C ATOM 817 O GLN A 77 -7.750 4.180 3.802 1.00 0.00 O ATOM 818 CB GLN A 77 -7.278 6.176 5.970 1.00 0.00 C ATOM 819 CG GLN A 77 -6.657 7.566 6.122 1.00 0.00 C ATOM 820 CD GLN A 77 -6.552 7.960 7.597 1.00 0.00 C ATOM 821 OE1 GLN A 77 -5.942 7.280 8.406 1.00 0.00 O ATOM 822 NE2 GLN A 77 -7.178 9.094 7.900 1.00 0.00 N ATOM 0 H GLN A 77 -9.575 4.766 5.937 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.564 7.225 4.633 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.664 5.839 6.932 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.512 5.463 5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.667 7.578 5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.262 8.299 5.588 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.670 9.615 7.174 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.166 9.443 8.858 1.00 0.00 H new ATOM 831 N TYR A 78 -8.034 6.049 2.561 1.00 0.00 N ATOM 832 CA TYR A 78 -7.695 5.401 1.305 1.00 0.00 C ATOM 833 C TYR A 78 -6.222 5.621 0.954 1.00 0.00 C ATOM 834 O TYR A 78 -5.655 6.666 1.269 1.00 0.00 O ATOM 835 CB TYR A 78 -8.566 6.066 0.238 1.00 0.00 C ATOM 836 CG TYR A 78 -10.025 5.605 0.249 1.00 0.00 C ATOM 837 CD1 TYR A 78 -10.941 6.232 1.068 1.00 0.00 C ATOM 838 CD2 TYR A 78 -10.424 4.561 -0.561 1.00 0.00 C ATOM 839 CE1 TYR A 78 -12.314 5.798 1.078 1.00 0.00 C ATOM 840 CE2 TYR A 78 -11.797 4.126 -0.551 1.00 0.00 C ATOM 841 CZ TYR A 78 -12.675 4.766 0.268 1.00 0.00 C ATOM 842 OH TYR A 78 -13.971 4.356 0.278 1.00 0.00 O ATOM 0 H TYR A 78 -8.267 7.039 2.481 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.863 4.326 1.371 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.536 7.146 0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.139 5.862 -0.744 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.628 7.049 1.702 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.707 4.070 -1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -13.041 6.281 1.714 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -12.122 3.310 -1.179 1.00 0.00 H new ATOM 0 HH TYR A 78 -14.084 3.612 -0.350 1.00 0.00 H new ATOM 852 N LEU A 79 -5.645 4.619 0.307 1.00 0.00 N ATOM 853 CA LEU A 79 -4.249 4.690 -0.090 1.00 0.00 C ATOM 854 C LEU A 79 -4.150 5.320 -1.480 1.00 0.00 C ATOM 855 O LEU A 79 -5.017 5.105 -2.326 1.00 0.00 O ATOM 856 CB LEU A 79 -3.593 3.311 0.008 1.00 0.00 C ATOM 857 CG LEU A 79 -2.165 3.285 0.556 1.00 0.00 C ATOM 858 CD1 LEU A 79 -2.049 4.133 1.824 1.00 0.00 C ATOM 859 CD2 LEU A 79 -1.691 1.848 0.782 1.00 0.00 C ATOM 0 H LEU A 79 -6.119 3.754 0.048 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.691 5.332 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.215 2.679 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.588 2.862 -0.985 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.505 3.728 -0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.024 4.097 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.317 5.165 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.723 3.742 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.673 1.858 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.349 1.356 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.713 1.305 -0.163 1.00 0.00 H new ATOM 871 N ALA A 80 -3.087 6.086 -1.673 1.00 0.00 N ATOM 872 CA ALA A 80 -2.863 6.750 -2.947 1.00 0.00 C ATOM 873 C ALA A 80 -1.433 7.290 -2.991 1.00 0.00 C ATOM 874 O ALA A 80 -0.711 7.230 -1.997 1.00 0.00 O ATOM 875 CB ALA A 80 -3.909 7.850 -3.140 1.00 0.00 C ATOM 0 H ALA A 80 -2.371 6.262 -0.969 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.974 6.046 -3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.741 8.348 -4.095 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.906 7.410 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.826 8.577 -2.332 1.00 0.00 H new ATOM 881 N MET A 81 -1.065 7.807 -4.155 1.00 0.00 N ATOM 882 CA MET A 81 0.266 8.358 -4.342 1.00 0.00 C ATOM 883 C MET A 81 0.220 9.623 -5.201 1.00 0.00 C ATOM 884 O MET A 81 -0.176 9.573 -6.365 1.00 0.00 O ATOM 885 CB MET A 81 1.160 7.315 -5.016 1.00 0.00 C ATOM 886 CG MET A 81 2.456 7.112 -4.228 1.00 0.00 C ATOM 887 SD MET A 81 3.400 5.775 -4.939 1.00 0.00 S ATOM 888 CE MET A 81 5.054 6.320 -4.546 1.00 0.00 C ATOM 0 H MET A 81 -1.666 7.856 -4.978 1.00 0.00 H new ATOM 0 HA MET A 81 0.671 8.620 -3.365 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.625 6.368 -5.094 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.394 7.633 -6.032 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.045 8.029 -4.238 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.227 6.892 -3.185 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.755 5.502 -4.709 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.322 7.160 -5.186 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.096 6.631 -3.502 1.00 0.00 H new ATOM 898 N ASP A 82 0.631 10.727 -4.595 1.00 0.00 N ATOM 899 CA ASP A 82 0.642 12.003 -5.290 1.00 0.00 C ATOM 900 C ASP A 82 1.838 12.049 -6.243 1.00 0.00 C ATOM 901 O ASP A 82 2.691 11.164 -6.218 1.00 0.00 O ATOM 902 CB ASP A 82 0.777 13.165 -4.304 1.00 0.00 C ATOM 903 CG ASP A 82 -0.323 13.245 -3.243 1.00 0.00 C ATOM 904 OD1 ASP A 82 -1.468 13.556 -3.635 1.00 0.00 O ATOM 905 OD2 ASP A 82 0.007 12.992 -2.064 1.00 0.00 O ATOM 0 H ASP A 82 0.959 10.764 -3.630 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.297 12.099 -5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.741 13.085 -3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.787 14.099 -4.866 1.00 0.00 H new ATOM 910 N THR A 83 1.862 13.091 -7.061 1.00 0.00 N ATOM 911 CA THR A 83 2.939 13.265 -8.020 1.00 0.00 C ATOM 912 C THR A 83 4.291 13.295 -7.304 1.00 0.00 C ATOM 913 O THR A 83 5.334 13.129 -7.934 1.00 0.00 O ATOM 914 CB THR A 83 2.652 14.532 -8.829 1.00 0.00 C ATOM 915 OG1 THR A 83 1.241 14.505 -9.027 1.00 0.00 O ATOM 916 CG2 THR A 83 3.228 14.466 -10.245 1.00 0.00 C ATOM 0 H THR A 83 1.152 13.823 -7.079 1.00 0.00 H new ATOM 0 HA THR A 83 2.991 12.425 -8.712 1.00 0.00 H new ATOM 0 HB THR A 83 3.066 15.396 -8.309 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.815 15.160 -8.436 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.996 15.389 -10.776 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.309 14.340 -10.192 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.789 13.622 -10.777 1.00 0.00 H new ATOM 924 N ASP A 84 4.228 13.506 -5.998 1.00 0.00 N ATOM 925 CA ASP A 84 5.435 13.559 -5.190 1.00 0.00 C ATOM 926 C ASP A 84 5.842 12.138 -4.795 1.00 0.00 C ATOM 927 O ASP A 84 6.751 11.951 -3.987 1.00 0.00 O ATOM 928 CB ASP A 84 5.203 14.359 -3.906 1.00 0.00 C ATOM 929 CG ASP A 84 5.035 15.867 -4.105 1.00 0.00 C ATOM 930 OD1 ASP A 84 4.147 16.238 -4.903 1.00 0.00 O ATOM 931 OD2 ASP A 84 5.798 16.614 -3.456 1.00 0.00 O ATOM 0 H ASP A 84 3.361 13.642 -5.479 1.00 0.00 H new ATOM 0 HA ASP A 84 6.215 14.041 -5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.313 13.972 -3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.043 14.188 -3.232 1.00 0.00 H new ATOM 936 N GLY A 85 5.149 11.174 -5.382 1.00 0.00 N ATOM 937 CA GLY A 85 5.426 9.775 -5.101 1.00 0.00 C ATOM 938 C GLY A 85 5.390 9.501 -3.596 1.00 0.00 C ATOM 939 O GLY A 85 5.928 8.497 -3.131 1.00 0.00 O ATOM 0 H GLY A 85 4.396 11.334 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.693 9.147 -5.606 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.404 9.507 -5.500 1.00 0.00 H new ATOM 943 N LEU A 86 4.750 10.410 -2.876 1.00 0.00 N ATOM 944 CA LEU A 86 4.636 10.279 -1.434 1.00 0.00 C ATOM 945 C LEU A 86 3.272 9.680 -1.086 1.00 0.00 C ATOM 946 O LEU A 86 2.255 10.369 -1.143 1.00 0.00 O ATOM 947 CB LEU A 86 4.911 11.620 -0.750 1.00 0.00 C ATOM 948 CG LEU A 86 5.494 11.545 0.663 1.00 0.00 C ATOM 949 CD1 LEU A 86 5.711 12.945 1.241 1.00 0.00 C ATOM 950 CD2 LEU A 86 4.621 10.678 1.572 1.00 0.00 C ATOM 0 H LEU A 86 4.305 11.241 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 86 5.392 9.592 -1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.598 12.190 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.978 12.182 -0.707 1.00 0.00 H new ATOM 0 HG LEU A 86 6.471 11.066 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.126 12.864 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.404 13.497 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.758 13.473 1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.058 10.642 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.620 11.105 1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.562 9.669 1.165 1.00 0.00 H new ATOM 962 N LEU A 87 3.294 8.402 -0.735 1.00 0.00 N ATOM 963 CA LEU A 87 2.072 7.703 -0.379 1.00 0.00 C ATOM 964 C LEU A 87 1.168 8.641 0.423 1.00 0.00 C ATOM 965 O LEU A 87 1.628 9.319 1.340 1.00 0.00 O ATOM 966 CB LEU A 87 2.395 6.393 0.344 1.00 0.00 C ATOM 967 CG LEU A 87 2.293 5.120 -0.498 1.00 0.00 C ATOM 968 CD1 LEU A 87 3.191 5.206 -1.733 1.00 0.00 C ATOM 969 CD2 LEU A 87 2.595 3.880 0.345 1.00 0.00 C ATOM 0 H LEU A 87 4.139 7.833 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 87 1.521 7.418 -1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.407 6.461 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.723 6.296 1.196 1.00 0.00 H new ATOM 0 HG LEU A 87 1.267 5.026 -0.853 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.100 4.288 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.887 6.055 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.227 5.336 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.516 2.989 -0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.605 3.952 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.880 3.815 1.165 1.00 0.00 H new ATOM 981 N TYR A 88 -0.104 8.649 0.049 1.00 0.00 N ATOM 982 CA TYR A 88 -1.076 9.492 0.722 1.00 0.00 C ATOM 983 C TYR A 88 -2.504 9.029 0.423 1.00 0.00 C ATOM 984 O TYR A 88 -2.726 8.250 -0.502 1.00 0.00 O ATOM 985 CB TYR A 88 -0.880 10.899 0.154 1.00 0.00 C ATOM 986 CG TYR A 88 -1.824 11.241 -1.001 1.00 0.00 C ATOM 987 CD1 TYR A 88 -1.497 10.876 -2.291 1.00 0.00 C ATOM 988 CD2 TYR A 88 -3.002 11.916 -0.752 1.00 0.00 C ATOM 989 CE1 TYR A 88 -2.386 11.198 -3.377 1.00 0.00 C ATOM 990 CE2 TYR A 88 -3.890 12.238 -1.838 1.00 0.00 C ATOM 991 CZ TYR A 88 -3.539 11.863 -3.097 1.00 0.00 C ATOM 992 OH TYR A 88 -4.378 12.167 -4.123 1.00 0.00 O ATOM 0 H TYR A 88 -0.483 8.085 -0.712 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.934 9.454 1.802 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.023 11.626 0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.149 11.001 -0.189 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.575 10.349 -2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.257 12.202 0.258 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.143 10.918 -4.391 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.815 12.766 -1.657 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.162 12.641 -3.775 1.00 0.00 H new ATOM 1002 N GLY A 89 -3.434 9.529 1.223 1.00 0.00 N ATOM 1003 CA GLY A 89 -4.833 9.176 1.056 1.00 0.00 C ATOM 1004 C GLY A 89 -5.680 10.416 0.760 1.00 0.00 C ATOM 1005 O GLY A 89 -5.231 11.543 0.966 1.00 0.00 O ATOM 0 H GLY A 89 -3.246 10.176 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.936 8.458 0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.199 8.688 1.959 1.00 0.00 H new ATOM 1009 N SER A 90 -6.889 10.167 0.280 1.00 0.00 N ATOM 1010 CA SER A 90 -7.802 11.249 -0.047 1.00 0.00 C ATOM 1011 C SER A 90 -9.244 10.738 -0.038 1.00 0.00 C ATOM 1012 O SER A 90 -9.486 9.547 -0.230 1.00 0.00 O ATOM 1013 CB SER A 90 -7.465 11.862 -1.408 1.00 0.00 C ATOM 1014 OG SER A 90 -7.578 13.282 -1.397 1.00 0.00 O ATOM 0 H SER A 90 -7.258 9.231 0.110 1.00 0.00 H new ATOM 0 HA SER A 90 -7.694 12.027 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.450 11.581 -1.691 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.132 11.451 -2.166 1.00 0.00 H new ATOM 0 HG SER A 90 -7.353 13.635 -2.283 1.00 0.00 H new ATOM 1020 N GLN A 91 -10.165 11.663 0.188 1.00 0.00 N ATOM 1021 CA GLN A 91 -11.577 11.321 0.226 1.00 0.00 C ATOM 1022 C GLN A 91 -12.126 11.181 -1.195 1.00 0.00 C ATOM 1023 O GLN A 91 -13.321 10.955 -1.383 1.00 0.00 O ATOM 1024 CB GLN A 91 -12.371 12.359 1.021 1.00 0.00 C ATOM 1025 CG GLN A 91 -13.785 11.855 1.321 1.00 0.00 C ATOM 1026 CD GLN A 91 -14.825 12.943 1.048 1.00 0.00 C ATOM 1027 OE1 GLN A 91 -15.473 13.458 1.944 1.00 0.00 O ATOM 1028 NE2 GLN A 91 -14.947 13.264 -0.237 1.00 0.00 N ATOM 0 H GLN A 91 -9.961 12.650 0.347 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.686 10.362 0.733 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -11.854 12.581 1.955 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.425 13.291 0.458 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -14.000 10.979 0.708 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.849 11.539 2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -14.373 12.794 -0.937 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.614 13.981 -0.523 1.00 0.00 H new ATOM 1037 N THR A 92 -11.228 11.320 -2.160 1.00 0.00 N ATOM 1038 CA THR A 92 -11.609 11.212 -3.558 1.00 0.00 C ATOM 1039 C THR A 92 -10.917 10.011 -4.207 1.00 0.00 C ATOM 1040 O THR A 92 -9.815 10.138 -4.739 1.00 0.00 O ATOM 1041 CB THR A 92 -11.284 12.542 -4.240 1.00 0.00 C ATOM 1042 OG1 THR A 92 -9.870 12.509 -4.412 1.00 0.00 O ATOM 1043 CG2 THR A 92 -11.520 13.744 -3.323 1.00 0.00 C ATOM 0 H THR A 92 -10.238 11.506 -2.001 1.00 0.00 H new ATOM 0 HA THR A 92 -12.678 11.028 -3.664 1.00 0.00 H new ATOM 0 HB THR A 92 -11.892 12.646 -5.139 1.00 0.00 H new ATOM 0 HG1 THR A 92 -9.636 11.821 -5.070 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.274 14.662 -3.856 1.00 0.00 H new ATOM 0 HG22 THR A 92 -12.566 13.770 -3.019 1.00 0.00 H new ATOM 0 HG23 THR A 92 -10.888 13.657 -2.439 1.00 0.00 H new ATOM 1051 N PRO A 93 -11.610 8.843 -4.140 1.00 0.00 N ATOM 1052 CA PRO A 93 -11.074 7.621 -4.715 1.00 0.00 C ATOM 1053 C PRO A 93 -11.184 7.639 -6.241 1.00 0.00 C ATOM 1054 O PRO A 93 -12.280 7.529 -6.789 1.00 0.00 O ATOM 1055 CB PRO A 93 -11.877 6.500 -4.074 1.00 0.00 C ATOM 1056 CG PRO A 93 -13.135 7.151 -3.522 1.00 0.00 C ATOM 1057 CD PRO A 93 -12.917 8.656 -3.517 1.00 0.00 C ATOM 0 HA PRO A 93 -10.010 7.494 -4.517 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.124 5.730 -4.804 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.307 6.016 -3.281 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -13.999 6.892 -4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.340 6.792 -2.514 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.699 9.171 -4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.933 9.055 -2.503 1.00 0.00 H new ATOM 1065 N ASN A 94 -10.034 7.777 -6.883 1.00 0.00 N ATOM 1066 CA ASN A 94 -9.987 7.811 -8.335 1.00 0.00 C ATOM 1067 C ASN A 94 -8.687 7.162 -8.814 1.00 0.00 C ATOM 1068 O ASN A 94 -7.945 6.589 -8.018 1.00 0.00 O ATOM 1069 CB ASN A 94 -10.017 9.249 -8.854 1.00 0.00 C ATOM 1070 CG ASN A 94 -11.281 9.974 -8.388 1.00 0.00 C ATOM 1071 OD1 ASN A 94 -12.156 10.313 -9.167 1.00 0.00 O ATOM 1072 ND2 ASN A 94 -11.327 10.193 -7.077 1.00 0.00 N ATOM 0 H ASN A 94 -9.127 7.867 -6.425 1.00 0.00 H new ATOM 0 HA ASN A 94 -10.857 7.274 -8.713 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.135 9.785 -8.502 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.975 9.247 -9.943 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.130 10.671 -6.668 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.560 9.883 -6.481 1.00 0.00 H new ATOM 1079 N GLU A 95 -8.450 7.274 -10.113 1.00 0.00 N ATOM 1080 CA GLU A 95 -7.252 6.706 -10.708 1.00 0.00 C ATOM 1081 C GLU A 95 -6.059 6.879 -9.765 1.00 0.00 C ATOM 1082 O GLU A 95 -5.157 6.043 -9.741 1.00 0.00 O ATOM 1083 CB GLU A 95 -6.968 7.334 -12.073 1.00 0.00 C ATOM 1084 CG GLU A 95 -7.788 6.653 -13.171 1.00 0.00 C ATOM 1085 CD GLU A 95 -8.985 7.516 -13.576 1.00 0.00 C ATOM 1086 OE1 GLU A 95 -8.739 8.566 -14.209 1.00 0.00 O ATOM 1087 OE2 GLU A 95 -10.118 7.107 -13.244 1.00 0.00 O ATOM 0 H GLU A 95 -9.068 7.750 -10.770 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.416 5.640 -10.863 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.204 8.398 -12.044 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.906 7.250 -12.302 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.157 6.469 -14.040 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.137 5.682 -12.820 1.00 0.00 H new ATOM 1094 N GLU A 96 -6.093 7.968 -9.013 1.00 0.00 N ATOM 1095 CA GLU A 96 -5.026 8.261 -8.071 1.00 0.00 C ATOM 1096 C GLU A 96 -5.047 7.258 -6.916 1.00 0.00 C ATOM 1097 O GLU A 96 -4.081 6.527 -6.706 1.00 0.00 O ATOM 1098 CB GLU A 96 -5.130 9.697 -7.553 1.00 0.00 C ATOM 1099 CG GLU A 96 -3.944 10.041 -6.650 1.00 0.00 C ATOM 1100 CD GLU A 96 -3.646 11.542 -6.685 1.00 0.00 C ATOM 1101 OE1 GLU A 96 -4.569 12.295 -7.063 1.00 0.00 O ATOM 1102 OE2 GLU A 96 -2.502 11.901 -6.333 1.00 0.00 O ATOM 0 H GLU A 96 -6.843 8.659 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.073 8.166 -8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.164 10.389 -8.394 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.061 9.821 -7.000 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.160 9.733 -5.627 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.064 9.484 -6.971 1.00 0.00 H new ATOM 1109 N CYS A 97 -6.160 7.257 -6.196 1.00 0.00 N ATOM 1110 CA CYS A 97 -6.319 6.356 -5.067 1.00 0.00 C ATOM 1111 C CYS A 97 -6.113 4.924 -5.563 1.00 0.00 C ATOM 1112 O CYS A 97 -5.644 4.066 -4.816 1.00 0.00 O ATOM 1113 CB CYS A 97 -7.679 6.535 -4.389 1.00 0.00 C ATOM 1114 SG CYS A 97 -7.991 5.149 -3.236 1.00 0.00 S ATOM 0 H CYS A 97 -6.959 7.865 -6.373 1.00 0.00 H new ATOM 0 HA CYS A 97 -5.573 6.586 -4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.703 7.481 -3.848 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -8.467 6.577 -5.141 1.00 0.00 H new ATOM 0 HG CYS A 97 -6.890 4.845 -2.614 1.00 0.00 H new ATOM 1120 N LEU A 98 -6.474 4.708 -6.820 1.00 0.00 N ATOM 1121 CA LEU A 98 -6.334 3.394 -7.424 1.00 0.00 C ATOM 1122 C LEU A 98 -4.874 2.946 -7.327 1.00 0.00 C ATOM 1123 O LEU A 98 -4.007 3.724 -6.932 1.00 0.00 O ATOM 1124 CB LEU A 98 -6.883 3.400 -8.852 1.00 0.00 C ATOM 1125 CG LEU A 98 -8.312 2.882 -9.023 1.00 0.00 C ATOM 1126 CD1 LEU A 98 -8.986 3.523 -10.238 1.00 0.00 C ATOM 1127 CD2 LEU A 98 -8.337 1.354 -9.094 1.00 0.00 C ATOM 0 H LEU A 98 -6.863 5.421 -7.436 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.929 2.659 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.840 4.421 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.222 2.799 -9.477 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.888 3.173 -8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.001 3.137 -10.337 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.020 4.605 -10.107 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.418 3.284 -11.137 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.365 1.012 -9.216 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.740 1.019 -9.943 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.923 0.940 -8.174 1.00 0.00 H new ATOM 1139 N PHE A 99 -4.648 1.694 -7.696 1.00 0.00 N ATOM 1140 CA PHE A 99 -3.308 1.133 -7.656 1.00 0.00 C ATOM 1141 C PHE A 99 -3.140 0.039 -8.712 1.00 0.00 C ATOM 1142 O PHE A 99 -3.766 -1.016 -8.623 1.00 0.00 O ATOM 1143 CB PHE A 99 -3.122 0.518 -6.268 1.00 0.00 C ATOM 1144 CG PHE A 99 -2.079 1.232 -5.406 1.00 0.00 C ATOM 1145 CD1 PHE A 99 -0.852 1.518 -5.919 1.00 0.00 C ATOM 1146 CD2 PHE A 99 -2.378 1.581 -4.126 1.00 0.00 C ATOM 1147 CE1 PHE A 99 0.115 2.181 -5.119 1.00 0.00 C ATOM 1148 CE2 PHE A 99 -1.410 2.244 -3.326 1.00 0.00 C ATOM 1149 CZ PHE A 99 -0.184 2.531 -3.839 1.00 0.00 C ATOM 0 H PHE A 99 -5.370 1.052 -8.024 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.573 1.912 -7.858 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.079 0.529 -5.746 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.832 -0.527 -6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.614 1.241 -6.935 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.352 1.354 -3.718 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.089 2.408 -5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.648 2.520 -2.309 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.552 3.036 -3.231 1.00 0.00 H new ATOM 1159 N LEU A 100 -2.291 0.327 -9.688 1.00 0.00 N ATOM 1160 CA LEU A 100 -2.033 -0.619 -10.760 1.00 0.00 C ATOM 1161 C LEU A 100 -1.594 -1.956 -10.159 1.00 0.00 C ATOM 1162 O LEU A 100 -0.438 -2.116 -9.771 1.00 0.00 O ATOM 1163 CB LEU A 100 -1.033 -0.036 -11.760 1.00 0.00 C ATOM 1164 CG LEU A 100 -1.591 0.313 -13.141 1.00 0.00 C ATOM 1165 CD1 LEU A 100 -0.846 1.504 -13.749 1.00 0.00 C ATOM 1166 CD2 LEU A 100 -1.573 -0.906 -14.064 1.00 0.00 C ATOM 0 H LEU A 100 -1.773 1.203 -9.759 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.943 -0.808 -11.329 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.600 0.866 -11.327 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.220 -0.750 -11.889 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.633 0.611 -13.023 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.262 1.731 -14.730 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.955 2.372 -13.099 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.211 1.258 -13.851 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.975 -0.630 -15.039 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.548 -1.259 -14.181 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.183 -1.699 -13.631 1.00 0.00 H new ATOM 1178 N GLU A 101 -2.541 -2.881 -10.102 1.00 0.00 N ATOM 1179 CA GLU A 101 -2.266 -4.199 -9.555 1.00 0.00 C ATOM 1180 C GLU A 101 -1.206 -4.913 -10.397 1.00 0.00 C ATOM 1181 O GLU A 101 -0.896 -4.482 -11.506 1.00 0.00 O ATOM 1182 CB GLU A 101 -3.546 -5.032 -9.463 1.00 0.00 C ATOM 1183 CG GLU A 101 -3.543 -5.905 -8.207 1.00 0.00 C ATOM 1184 CD GLU A 101 -4.943 -6.451 -7.915 1.00 0.00 C ATOM 1185 OE1 GLU A 101 -5.662 -6.725 -8.901 1.00 0.00 O ATOM 1186 OE2 GLU A 101 -5.262 -6.581 -6.714 1.00 0.00 O ATOM 0 H GLU A 101 -3.499 -2.744 -10.425 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.877 -4.078 -8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.413 -4.372 -9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.639 -5.662 -10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.846 -6.733 -8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.191 -5.322 -7.356 1.00 0.00 H new ATOM 1193 N ARG A 102 -0.680 -5.992 -9.837 1.00 0.00 N ATOM 1194 CA ARG A 102 0.338 -6.770 -10.522 1.00 0.00 C ATOM 1195 C ARG A 102 0.780 -7.949 -9.653 1.00 0.00 C ATOM 1196 O ARG A 102 1.702 -7.820 -8.849 1.00 0.00 O ATOM 1197 CB ARG A 102 1.557 -5.907 -10.858 1.00 0.00 C ATOM 1198 CG ARG A 102 1.545 -5.490 -12.330 1.00 0.00 C ATOM 1199 CD ARG A 102 2.947 -5.581 -12.937 1.00 0.00 C ATOM 1200 NE ARG A 102 3.810 -4.518 -12.378 1.00 0.00 N ATOM 1201 CZ ARG A 102 5.140 -4.469 -12.537 1.00 0.00 C ATOM 1202 NH1 ARG A 102 5.766 -5.423 -13.239 1.00 0.00 N ATOM 1203 NH2 ARG A 102 5.843 -3.466 -11.994 1.00 0.00 N ATOM 0 H ARG A 102 -0.940 -6.346 -8.916 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.097 -7.142 -11.450 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.564 -5.020 -10.225 1.00 0.00 H new ATOM 0 HB3 ARG A 102 2.470 -6.461 -10.641 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.861 -6.130 -12.887 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.171 -4.470 -12.420 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.380 -6.559 -12.728 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.890 -5.482 -14.021 1.00 0.00 H new ATOM 0 HE ARG A 102 3.365 -3.776 -11.838 1.00 0.00 H new ATOM 0 HH11 ARG A 102 5.231 -6.186 -13.652 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.778 -5.386 -13.360 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.366 -2.740 -11.460 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.855 -3.429 -12.115 1.00 0.00 H new ATOM 1217 N LEU A 103 0.102 -9.071 -9.845 1.00 0.00 N ATOM 1218 CA LEU A 103 0.414 -10.272 -9.089 1.00 0.00 C ATOM 1219 C LEU A 103 1.860 -10.686 -9.369 1.00 0.00 C ATOM 1220 O LEU A 103 2.111 -11.535 -10.223 1.00 0.00 O ATOM 1221 CB LEU A 103 -0.609 -11.371 -9.384 1.00 0.00 C ATOM 1222 CG LEU A 103 -1.368 -11.923 -8.175 1.00 0.00 C ATOM 1223 CD1 LEU A 103 -2.028 -13.262 -8.508 1.00 0.00 C ATOM 1224 CD2 LEU A 103 -0.454 -12.022 -6.952 1.00 0.00 C ATOM 0 H LEU A 103 -0.662 -9.174 -10.513 1.00 0.00 H new ATOM 0 HA LEU A 103 0.340 -10.078 -8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.335 -10.982 -10.097 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.094 -12.198 -9.873 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.166 -11.224 -7.924 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.561 -13.633 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.731 -13.127 -9.330 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.263 -13.982 -8.799 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.018 -12.417 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.380 -12.687 -7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.072 -11.032 -6.702 1.00 0.00 H new ATOM 1236 N GLU A 104 2.772 -10.066 -8.635 1.00 0.00 N ATOM 1237 CA GLU A 104 4.186 -10.359 -8.795 1.00 0.00 C ATOM 1238 C GLU A 104 4.397 -11.860 -9.004 1.00 0.00 C ATOM 1239 O GLU A 104 5.120 -12.269 -9.911 1.00 0.00 O ATOM 1240 CB GLU A 104 4.990 -9.855 -7.594 1.00 0.00 C ATOM 1241 CG GLU A 104 6.274 -10.667 -7.414 1.00 0.00 C ATOM 1242 CD GLU A 104 6.026 -11.898 -6.540 1.00 0.00 C ATOM 1243 OE1 GLU A 104 4.881 -12.028 -6.055 1.00 0.00 O ATOM 1244 OE2 GLU A 104 6.986 -12.681 -6.377 1.00 0.00 O ATOM 0 H GLU A 104 2.559 -9.362 -7.928 1.00 0.00 H new ATOM 0 HA GLU A 104 4.548 -9.834 -9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.238 -8.803 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.383 -9.923 -6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.651 -10.978 -8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.043 -10.042 -6.959 1.00 0.00 H new ATOM 1251 N GLU A 105 3.752 -12.641 -8.149 1.00 0.00 N ATOM 1252 CA GLU A 105 3.859 -14.087 -8.228 1.00 0.00 C ATOM 1253 C GLU A 105 2.468 -14.725 -8.202 1.00 0.00 C ATOM 1254 O GLU A 105 1.779 -14.761 -9.220 1.00 0.00 O ATOM 1255 CB GLU A 105 4.734 -14.635 -7.099 1.00 0.00 C ATOM 1256 CG GLU A 105 4.670 -16.163 -7.048 1.00 0.00 C ATOM 1257 CD GLU A 105 6.074 -16.770 -7.018 1.00 0.00 C ATOM 1258 OE1 GLU A 105 6.627 -16.977 -8.120 1.00 0.00 O ATOM 1259 OE2 GLU A 105 6.564 -17.013 -5.894 1.00 0.00 O ATOM 0 H GLU A 105 3.153 -12.298 -7.398 1.00 0.00 H new ATOM 0 HA GLU A 105 4.338 -14.345 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.766 -14.315 -7.246 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.405 -14.222 -6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.115 -16.478 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.127 -16.537 -7.916 1.00 0.00 H new ATOM 1266 N ASN A 106 2.098 -15.213 -7.027 1.00 0.00 N ATOM 1267 CA ASN A 106 0.802 -15.847 -6.855 1.00 0.00 C ATOM 1268 C ASN A 106 0.248 -15.499 -5.472 1.00 0.00 C ATOM 1269 O ASN A 106 -0.357 -16.342 -4.812 1.00 0.00 O ATOM 1270 CB ASN A 106 0.918 -17.370 -6.949 1.00 0.00 C ATOM 1271 CG ASN A 106 -0.306 -17.971 -7.642 1.00 0.00 C ATOM 1272 OD1 ASN A 106 -1.441 -17.605 -7.384 1.00 0.00 O ATOM 1273 ND2 ASN A 106 -0.014 -18.912 -8.536 1.00 0.00 N ATOM 0 H ASN A 106 2.673 -15.182 -6.185 1.00 0.00 H new ATOM 0 HA ASN A 106 0.142 -15.486 -7.644 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.820 -17.636 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 106 1.019 -17.793 -5.950 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.762 -19.374 -9.053 1.00 0.00 H new ATOM 0 HD22 ASN A 106 0.958 -19.172 -8.704 1.00 0.00 H new ATOM 1280 N HIS A 107 0.475 -14.255 -5.075 1.00 0.00 N ATOM 1281 CA HIS A 107 0.006 -13.785 -3.783 1.00 0.00 C ATOM 1282 C HIS A 107 0.307 -12.292 -3.639 1.00 0.00 C ATOM 1283 O HIS A 107 -0.608 -11.475 -3.563 1.00 0.00 O ATOM 1284 CB HIS A 107 0.604 -14.623 -2.650 1.00 0.00 C ATOM 1285 CG HIS A 107 1.656 -15.606 -3.104 1.00 0.00 C ATOM 1286 ND1 HIS A 107 2.930 -15.221 -3.482 1.00 0.00 N ATOM 1287 CD2 HIS A 107 1.610 -16.963 -3.234 1.00 0.00 C ATOM 1288 CE1 HIS A 107 3.611 -16.304 -3.824 1.00 0.00 C ATOM 1289 NE2 HIS A 107 2.791 -17.383 -3.670 1.00 0.00 N ATOM 0 H HIS A 107 0.977 -13.559 -5.626 1.00 0.00 H new ATOM 0 HA HIS A 107 -1.075 -13.910 -3.717 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.042 -13.954 -1.909 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -0.198 -15.168 -2.153 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.757 -17.589 -3.019 1.00 0.00 H new ATOM 0 HE1 HIS A 107 4.635 -16.329 -4.165 1.00 0.00 H new ATOM 0 HE2 HIS A 107 3.044 -18.353 -3.859 1.00 0.00 H new ATOM 1297 N TYR A 108 1.595 -11.982 -3.607 1.00 0.00 N ATOM 1298 CA TYR A 108 2.029 -10.602 -3.474 1.00 0.00 C ATOM 1299 C TYR A 108 1.501 -9.747 -4.628 1.00 0.00 C ATOM 1300 O TYR A 108 1.848 -9.978 -5.785 1.00 0.00 O ATOM 1301 CB TYR A 108 3.558 -10.632 -3.535 1.00 0.00 C ATOM 1302 CG TYR A 108 4.194 -11.718 -2.664 1.00 0.00 C ATOM 1303 CD1 TYR A 108 3.658 -12.012 -1.427 1.00 0.00 C ATOM 1304 CD2 TYR A 108 5.304 -12.402 -3.116 1.00 0.00 C ATOM 1305 CE1 TYR A 108 4.256 -13.033 -0.607 1.00 0.00 C ATOM 1306 CE2 TYR A 108 5.902 -13.424 -2.296 1.00 0.00 C ATOM 1307 CZ TYR A 108 5.349 -13.689 -1.082 1.00 0.00 C ATOM 1308 OH TYR A 108 5.914 -14.654 -0.308 1.00 0.00 O ATOM 0 H TYR A 108 2.352 -12.663 -3.671 1.00 0.00 H new ATOM 0 HA TYR A 108 1.656 -10.171 -2.545 1.00 0.00 H new ATOM 0 HB2 TYR A 108 3.867 -10.783 -4.569 1.00 0.00 H new ATOM 0 HB3 TYR A 108 3.943 -9.660 -3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.789 -11.476 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 108 5.724 -12.171 -4.084 1.00 0.00 H new ATOM 0 HE1 TYR A 108 3.846 -13.273 0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 108 6.770 -13.968 -2.638 1.00 0.00 H new ATOM 0 HH TYR A 108 6.685 -15.038 -0.775 1.00 0.00 H new ATOM 1318 N ASN A 109 0.671 -8.778 -4.273 1.00 0.00 N ATOM 1319 CA ASN A 109 0.092 -7.888 -5.264 1.00 0.00 C ATOM 1320 C ASN A 109 0.912 -6.597 -5.326 1.00 0.00 C ATOM 1321 O ASN A 109 0.504 -5.572 -4.783 1.00 0.00 O ATOM 1322 CB ASN A 109 -1.346 -7.517 -4.898 1.00 0.00 C ATOM 1323 CG ASN A 109 -2.348 -8.385 -5.662 1.00 0.00 C ATOM 1324 OD1 ASN A 109 -3.263 -8.963 -5.099 1.00 0.00 O ATOM 1325 ND2 ASN A 109 -2.124 -8.444 -6.972 1.00 0.00 N ATOM 0 H ASN A 109 0.385 -8.590 -3.312 1.00 0.00 H new ATOM 0 HA ASN A 109 0.098 -8.404 -6.224 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -1.496 -7.641 -3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -1.523 -6.466 -5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -2.737 -8.998 -7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.339 -7.935 -7.379 1.00 0.00 H new ATOM 1332 N THR A 110 2.054 -6.691 -5.992 1.00 0.00 N ATOM 1333 CA THR A 110 2.934 -5.544 -6.132 1.00 0.00 C ATOM 1334 C THR A 110 2.279 -4.471 -7.004 1.00 0.00 C ATOM 1335 O THR A 110 2.351 -4.534 -8.231 1.00 0.00 O ATOM 1336 CB THR A 110 4.273 -6.040 -6.682 1.00 0.00 C ATOM 1337 OG1 THR A 110 3.939 -6.615 -7.942 1.00 0.00 O ATOM 1338 CG2 THR A 110 4.839 -7.211 -5.876 1.00 0.00 C ATOM 0 H THR A 110 2.390 -7.544 -6.440 1.00 0.00 H new ATOM 0 HA THR A 110 3.118 -5.067 -5.169 1.00 0.00 H new ATOM 0 HB THR A 110 4.991 -5.220 -6.684 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.297 -6.037 -8.405 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.789 -7.524 -6.308 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.995 -6.900 -4.843 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.136 -8.044 -5.902 1.00 0.00 H new ATOM 1346 N TYR A 111 1.655 -3.511 -6.338 1.00 0.00 N ATOM 1347 CA TYR A 111 0.987 -2.427 -7.037 1.00 0.00 C ATOM 1348 C TYR A 111 1.995 -1.375 -7.507 1.00 0.00 C ATOM 1349 O TYR A 111 3.198 -1.528 -7.303 1.00 0.00 O ATOM 1350 CB TYR A 111 0.040 -1.788 -6.019 1.00 0.00 C ATOM 1351 CG TYR A 111 -0.809 -2.796 -5.242 1.00 0.00 C ATOM 1352 CD1 TYR A 111 -0.336 -3.332 -4.061 1.00 0.00 C ATOM 1353 CD2 TYR A 111 -2.048 -3.170 -5.721 1.00 0.00 C ATOM 1354 CE1 TYR A 111 -1.135 -4.280 -3.330 1.00 0.00 C ATOM 1355 CE2 TYR A 111 -2.847 -4.119 -4.990 1.00 0.00 C ATOM 1356 CZ TYR A 111 -2.351 -4.627 -3.830 1.00 0.00 C ATOM 1357 OH TYR A 111 -3.105 -5.523 -3.139 1.00 0.00 O ATOM 0 H TYR A 111 1.598 -3.461 -5.321 1.00 0.00 H new ATOM 0 HA TYR A 111 0.464 -2.803 -7.916 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.626 -1.200 -5.312 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.622 -1.095 -6.539 1.00 0.00 H new ATOM 0 HD1 TYR A 111 0.634 -3.040 -3.686 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.419 -2.751 -6.645 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -0.777 -4.706 -2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -3.818 -4.420 -5.355 1.00 0.00 H new ATOM 0 HH TYR A 111 -2.624 -5.802 -2.332 1.00 0.00 H new ATOM 1367 N ILE A 112 1.466 -0.332 -8.129 1.00 0.00 N ATOM 1368 CA ILE A 112 2.304 0.745 -8.630 1.00 0.00 C ATOM 1369 C ILE A 112 1.445 1.990 -8.857 1.00 0.00 C ATOM 1370 O ILE A 112 0.379 1.910 -9.466 1.00 0.00 O ATOM 1371 CB ILE A 112 3.071 0.291 -9.873 1.00 0.00 C ATOM 1372 CG1 ILE A 112 4.512 0.807 -9.847 1.00 0.00 C ATOM 1373 CG2 ILE A 112 2.338 0.704 -11.151 1.00 0.00 C ATOM 1374 CD1 ILE A 112 5.508 -0.337 -10.039 1.00 0.00 C ATOM 0 H ILE A 112 0.468 -0.209 -8.298 1.00 0.00 H new ATOM 0 HA ILE A 112 3.063 1.012 -7.895 1.00 0.00 H new ATOM 0 HB ILE A 112 3.118 -0.798 -9.866 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.650 1.550 -10.633 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.706 1.307 -8.898 1.00 0.00 H new ATOM 0 HG21 ILE A 112 2.905 0.369 -12.020 1.00 0.00 H new ATOM 0 HG22 ILE A 112 1.348 0.249 -11.166 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.239 1.789 -11.179 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.524 0.057 -10.016 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.384 -1.066 -9.238 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.327 -0.819 -11.000 1.00 0.00 H new ATOM 1386 N SER A 113 1.941 3.112 -8.357 1.00 0.00 N ATOM 1387 CA SER A 113 1.233 4.372 -8.498 1.00 0.00 C ATOM 1388 C SER A 113 0.562 4.445 -9.871 1.00 0.00 C ATOM 1389 O SER A 113 1.232 4.641 -10.884 1.00 0.00 O ATOM 1390 CB SER A 113 2.178 5.560 -8.306 1.00 0.00 C ATOM 1391 OG SER A 113 1.470 6.766 -8.031 1.00 0.00 O ATOM 0 H SER A 113 2.826 3.174 -7.853 1.00 0.00 H new ATOM 0 HA SER A 113 0.468 4.422 -7.723 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.865 5.348 -7.487 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.783 5.691 -9.203 1.00 0.00 H new ATOM 0 HG SER A 113 1.283 7.234 -8.871 1.00 0.00 H new ATOM 1397 N LYS A 114 -0.753 4.282 -9.862 1.00 0.00 N ATOM 1398 CA LYS A 114 -1.521 4.326 -11.094 1.00 0.00 C ATOM 1399 C LYS A 114 -1.553 5.763 -11.619 1.00 0.00 C ATOM 1400 O LYS A 114 -1.739 5.987 -12.814 1.00 0.00 O ATOM 1401 CB LYS A 114 -2.910 3.719 -10.882 1.00 0.00 C ATOM 1402 CG LYS A 114 -3.367 2.948 -12.122 1.00 0.00 C ATOM 1403 CD LYS A 114 -4.604 3.597 -12.746 1.00 0.00 C ATOM 1404 CE LYS A 114 -4.952 2.940 -14.083 1.00 0.00 C ATOM 1405 NZ LYS A 114 -3.792 2.982 -15.000 1.00 0.00 N ATOM 0 H LYS A 114 -1.306 4.119 -9.020 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.045 3.716 -11.861 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.891 3.051 -10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.626 4.510 -10.657 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.560 2.918 -12.854 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.591 1.916 -11.851 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.449 3.509 -12.063 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.424 4.662 -12.896 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.255 1.906 -13.918 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.800 3.453 -14.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.117 3.212 -15.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.121 3.708 -14.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.321 2.055 -15.007 1.00 0.00 H new ATOM 1419 N LYS A 115 -1.368 6.699 -10.700 1.00 0.00 N ATOM 1420 CA LYS A 115 -1.372 8.108 -11.056 1.00 0.00 C ATOM 1421 C LYS A 115 -0.088 8.442 -11.817 1.00 0.00 C ATOM 1422 O LYS A 115 0.051 9.538 -12.357 1.00 0.00 O ATOM 1423 CB LYS A 115 -1.593 8.974 -9.813 1.00 0.00 C ATOM 1424 CG LYS A 115 -2.317 10.273 -10.171 1.00 0.00 C ATOM 1425 CD LYS A 115 -1.469 11.492 -9.806 1.00 0.00 C ATOM 1426 CE LYS A 115 -0.898 12.158 -11.059 1.00 0.00 C ATOM 1427 NZ LYS A 115 -1.957 12.347 -12.074 1.00 0.00 N ATOM 0 H LYS A 115 -1.214 6.510 -9.710 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.205 8.329 -11.723 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.176 8.419 -9.078 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.633 9.204 -9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.540 10.287 -11.238 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.271 10.319 -9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.076 12.209 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -0.655 11.189 -9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.460 13.121 -10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.097 11.545 -11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.796 13.241 -12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -1.935 11.557 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.885 12.377 -11.606 1.00 0.00 H new ATOM 1441 N HIS A 116 0.818 7.476 -11.837 1.00 0.00 N ATOM 1442 CA HIS A 116 2.087 7.653 -12.524 1.00 0.00 C ATOM 1443 C HIS A 116 2.930 6.385 -12.379 1.00 0.00 C ATOM 1444 O HIS A 116 3.971 6.399 -11.722 1.00 0.00 O ATOM 1445 CB HIS A 116 2.807 8.905 -12.020 1.00 0.00 C ATOM 1446 CG HIS A 116 2.320 9.395 -10.677 1.00 0.00 C ATOM 1447 ND1 HIS A 116 2.165 8.560 -9.585 1.00 0.00 N ATOM 1448 CD2 HIS A 116 1.956 10.643 -10.262 1.00 0.00 C ATOM 1449 CE1 HIS A 116 1.727 9.282 -8.564 1.00 0.00 C ATOM 1450 NE2 HIS A 116 1.597 10.572 -8.986 1.00 0.00 N ATOM 0 H HIS A 116 0.699 6.568 -11.389 1.00 0.00 H new ATOM 0 HA HIS A 116 1.910 7.810 -13.588 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.875 8.696 -11.954 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.684 9.702 -12.753 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.959 11.537 -10.869 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.511 8.914 -7.572 1.00 0.00 H new ATOM 0 HE2 HIS A 116 1.277 11.354 -8.415 1.00 0.00 H new ATOM 1458 N ALA A 117 2.451 5.319 -13.002 1.00 0.00 N ATOM 1459 CA ALA A 117 3.148 4.045 -12.951 1.00 0.00 C ATOM 1460 C ALA A 117 4.333 4.078 -13.918 1.00 0.00 C ATOM 1461 O ALA A 117 5.237 3.248 -13.827 1.00 0.00 O ATOM 1462 CB ALA A 117 2.168 2.914 -13.268 1.00 0.00 C ATOM 0 H ALA A 117 1.588 5.311 -13.545 1.00 0.00 H new ATOM 0 HA ALA A 117 3.543 3.863 -11.952 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.691 1.958 -13.230 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.361 2.916 -12.535 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.753 3.061 -14.265 1.00 0.00 H new ATOM 1468 N GLU A 118 4.291 5.046 -14.823 1.00 0.00 N ATOM 1469 CA GLU A 118 5.350 5.197 -15.806 1.00 0.00 C ATOM 1470 C GLU A 118 6.697 5.398 -15.108 1.00 0.00 C ATOM 1471 O GLU A 118 7.749 5.255 -15.730 1.00 0.00 O ATOM 1472 CB GLU A 118 5.050 6.354 -16.761 1.00 0.00 C ATOM 1473 CG GLU A 118 6.321 6.822 -17.472 1.00 0.00 C ATOM 1474 CD GLU A 118 5.985 7.537 -18.782 1.00 0.00 C ATOM 1475 OE1 GLU A 118 5.759 6.818 -19.779 1.00 0.00 O ATOM 1476 OE2 GLU A 118 5.961 8.787 -18.758 1.00 0.00 O ATOM 0 H GLU A 118 3.540 5.733 -14.896 1.00 0.00 H new ATOM 0 HA GLU A 118 5.402 4.284 -16.399 1.00 0.00 H new ATOM 0 HB2 GLU A 118 4.311 6.039 -17.498 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.613 7.184 -16.206 1.00 0.00 H new ATOM 0 HG2 GLU A 118 6.880 7.493 -16.820 1.00 0.00 H new ATOM 0 HG3 GLU A 118 6.964 5.966 -17.675 1.00 0.00 H new ATOM 1483 N LYS A 119 6.621 5.726 -13.827 1.00 0.00 N ATOM 1484 CA LYS A 119 7.821 5.947 -13.038 1.00 0.00 C ATOM 1485 C LYS A 119 8.109 4.703 -12.195 1.00 0.00 C ATOM 1486 O LYS A 119 9.114 4.647 -11.488 1.00 0.00 O ATOM 1487 CB LYS A 119 7.693 7.231 -12.216 1.00 0.00 C ATOM 1488 CG LYS A 119 8.726 8.270 -12.656 1.00 0.00 C ATOM 1489 CD LYS A 119 8.365 9.660 -12.130 1.00 0.00 C ATOM 1490 CE LYS A 119 8.413 10.700 -13.251 1.00 0.00 C ATOM 1491 NZ LYS A 119 7.244 11.603 -13.171 1.00 0.00 N ATOM 0 H LYS A 119 5.747 5.844 -13.315 1.00 0.00 H new ATOM 0 HA LYS A 119 8.682 6.097 -13.689 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.689 7.641 -12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 119 7.828 7.005 -11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.712 7.984 -12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.783 8.293 -13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.367 9.639 -11.691 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.056 9.943 -11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 119 9.333 11.280 -13.178 1.00 0.00 H new ATOM 0 HE3 LYS A 119 8.428 10.199 -14.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 7.292 12.303 -13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.369 11.048 -13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 7.247 12.095 -12.254 1.00 0.00 H new ATOM 1505 N ASN A 120 7.209 3.736 -12.298 1.00 0.00 N ATOM 1506 CA ASN A 120 7.354 2.497 -11.554 1.00 0.00 C ATOM 1507 C ASN A 120 7.294 2.797 -10.055 1.00 0.00 C ATOM 1508 O ASN A 120 7.955 2.133 -9.258 1.00 0.00 O ATOM 1509 CB ASN A 120 8.699 1.831 -11.850 1.00 0.00 C ATOM 1510 CG ASN A 120 8.501 0.454 -12.487 1.00 0.00 C ATOM 1511 OD1 ASN A 120 9.163 -0.514 -12.154 1.00 0.00 O ATOM 1512 ND2 ASN A 120 7.555 0.422 -13.421 1.00 0.00 N ATOM 0 H ASN A 120 6.377 3.786 -12.886 1.00 0.00 H new ATOM 0 HA ASN A 120 6.547 1.828 -11.853 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.283 2.464 -12.518 1.00 0.00 H new ATOM 0 HB3 ASN A 120 9.270 1.730 -10.927 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.347 -0.451 -13.907 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.037 1.270 -13.652 1.00 0.00 H new ATOM 1519 N TRP A 121 6.495 3.798 -9.716 1.00 0.00 N ATOM 1520 CA TRP A 121 6.341 4.195 -8.326 1.00 0.00 C ATOM 1521 C TRP A 121 5.530 3.111 -7.613 1.00 0.00 C ATOM 1522 O TRP A 121 4.305 3.190 -7.546 1.00 0.00 O ATOM 1523 CB TRP A 121 5.707 5.583 -8.219 1.00 0.00 C ATOM 1524 CG TRP A 121 6.652 6.729 -8.586 1.00 0.00 C ATOM 1525 CD1 TRP A 121 7.979 6.678 -8.766 1.00 0.00 C ATOM 1526 CD2 TRP A 121 6.287 8.107 -8.810 1.00 0.00 C ATOM 1527 NE1 TRP A 121 8.494 7.917 -9.089 1.00 0.00 N ATOM 1528 CE2 TRP A 121 7.432 8.814 -9.117 1.00 0.00 C ATOM 1529 CE3 TRP A 121 5.030 8.735 -8.757 1.00 0.00 C ATOM 1530 CZ2 TRP A 121 7.434 10.186 -9.393 1.00 0.00 C ATOM 1531 CZ3 TRP A 121 5.050 10.107 -9.035 1.00 0.00 C ATOM 1532 CH2 TRP A 121 6.194 10.833 -9.345 1.00 0.00 C ATOM 0 H TRP A 121 5.947 4.346 -10.379 1.00 0.00 H new ATOM 0 HA TRP A 121 7.312 4.281 -7.839 1.00 0.00 H new ATOM 0 HB2 TRP A 121 4.834 5.623 -8.870 1.00 0.00 H new ATOM 0 HB3 TRP A 121 5.352 5.731 -7.199 1.00 0.00 H new ATOM 0 HD1 TRP A 121 8.571 5.780 -8.670 1.00 0.00 H new ATOM 0 HE1 TRP A 121 9.473 8.135 -9.273 1.00 0.00 H new ATOM 0 HE3 TRP A 121 4.121 8.201 -8.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 8.344 10.717 -9.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 4.110 10.639 -9.007 1.00 0.00 H new ATOM 0 HH2 TRP A 121 6.126 11.892 -9.548 1.00 0.00 H new ATOM 1543 N PHE A 122 6.248 2.123 -7.097 1.00 0.00 N ATOM 1544 CA PHE A 122 5.610 1.025 -6.391 1.00 0.00 C ATOM 1545 C PHE A 122 5.028 1.495 -5.057 1.00 0.00 C ATOM 1546 O PHE A 122 5.118 2.674 -4.717 1.00 0.00 O ATOM 1547 CB PHE A 122 6.693 -0.022 -6.122 1.00 0.00 C ATOM 1548 CG PHE A 122 6.917 -0.998 -7.278 1.00 0.00 C ATOM 1549 CD1 PHE A 122 7.768 -0.672 -8.288 1.00 0.00 C ATOM 1550 CD2 PHE A 122 6.266 -2.191 -7.297 1.00 0.00 C ATOM 1551 CE1 PHE A 122 7.976 -1.577 -9.362 1.00 0.00 C ATOM 1552 CE2 PHE A 122 6.474 -3.097 -8.370 1.00 0.00 C ATOM 1553 CZ PHE A 122 7.325 -2.771 -9.380 1.00 0.00 C ATOM 0 H PHE A 122 7.264 2.061 -7.154 1.00 0.00 H new ATOM 0 HA PHE A 122 4.794 0.621 -6.990 1.00 0.00 H new ATOM 0 HB2 PHE A 122 7.631 0.489 -5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 122 6.423 -0.587 -5.230 1.00 0.00 H new ATOM 0 HD1 PHE A 122 8.286 0.276 -8.273 1.00 0.00 H new ATOM 0 HD2 PHE A 122 5.590 -2.450 -6.495 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.651 -1.317 -10.164 1.00 0.00 H new ATOM 0 HE2 PHE A 122 5.957 -4.045 -8.384 1.00 0.00 H new ATOM 0 HZ PHE A 122 7.484 -3.460 -10.196 1.00 0.00 H new ATOM 1563 N VAL A 123 4.444 0.549 -4.336 1.00 0.00 N ATOM 1564 CA VAL A 123 3.848 0.852 -3.046 1.00 0.00 C ATOM 1565 C VAL A 123 4.587 0.077 -1.953 1.00 0.00 C ATOM 1566 O VAL A 123 4.106 -0.023 -0.825 1.00 0.00 O ATOM 1567 CB VAL A 123 2.348 0.553 -3.080 1.00 0.00 C ATOM 1568 CG1 VAL A 123 2.088 -0.907 -3.459 1.00 0.00 C ATOM 1569 CG2 VAL A 123 1.689 0.898 -1.743 1.00 0.00 C ATOM 0 H VAL A 123 4.371 -0.428 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 123 3.950 1.913 -2.818 1.00 0.00 H new ATOM 0 HB VAL A 123 1.899 1.183 -3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.014 -1.093 -3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.506 -1.107 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 123 2.558 -1.562 -2.726 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.623 0.676 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.145 0.306 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 123 1.829 1.958 -1.531 1.00 0.00 H new ATOM 1579 N GLY A 124 5.743 -0.451 -2.326 1.00 0.00 N ATOM 1580 CA GLY A 124 6.553 -1.214 -1.391 1.00 0.00 C ATOM 1581 C GLY A 124 7.525 -0.303 -0.637 1.00 0.00 C ATOM 1582 O GLY A 124 8.533 0.130 -1.193 1.00 0.00 O ATOM 0 H GLY A 124 6.138 -0.366 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.907 -1.729 -0.681 1.00 0.00 H new ATOM 0 HA3 GLY A 124 7.111 -1.981 -1.929 1.00 0.00 H new ATOM 1586 N LEU A 125 7.187 -0.040 0.616 1.00 0.00 N ATOM 1587 CA LEU A 125 8.017 0.812 1.452 1.00 0.00 C ATOM 1588 C LEU A 125 9.412 0.195 1.574 1.00 0.00 C ATOM 1589 O LEU A 125 9.565 -0.902 2.110 1.00 0.00 O ATOM 1590 CB LEU A 125 7.337 1.068 2.798 1.00 0.00 C ATOM 1591 CG LEU A 125 5.811 1.162 2.772 1.00 0.00 C ATOM 1592 CD1 LEU A 125 5.174 -0.070 3.418 1.00 0.00 C ATOM 1593 CD2 LEU A 125 5.330 2.462 3.420 1.00 0.00 C ATOM 0 H LEU A 125 6.350 -0.401 1.073 1.00 0.00 H new ATOM 0 HA LEU A 125 8.141 1.793 0.993 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.620 0.269 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.731 1.997 3.211 1.00 0.00 H new ATOM 0 HG LEU A 125 5.489 1.183 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 125 4.088 0.023 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 125 5.478 -0.964 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 125 5.501 -0.147 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.241 2.503 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.664 2.497 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.741 3.313 2.877 1.00 0.00 H new ATOM 1605 N LYS A 126 10.394 0.927 1.069 1.00 0.00 N ATOM 1606 CA LYS A 126 11.771 0.465 1.116 1.00 0.00 C ATOM 1607 C LYS A 126 11.937 -0.515 2.279 1.00 0.00 C ATOM 1608 O LYS A 126 11.608 -0.192 3.419 1.00 0.00 O ATOM 1609 CB LYS A 126 12.733 1.654 1.171 1.00 0.00 C ATOM 1610 CG LYS A 126 13.863 1.493 0.152 1.00 0.00 C ATOM 1611 CD LYS A 126 15.229 1.686 0.813 1.00 0.00 C ATOM 1612 CE LYS A 126 16.187 0.555 0.432 1.00 0.00 C ATOM 1613 NZ LYS A 126 17.321 0.495 1.382 1.00 0.00 N ATOM 0 H LYS A 126 10.264 1.836 0.625 1.00 0.00 H new ATOM 0 HA LYS A 126 12.022 -0.077 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 126 12.188 2.577 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 126 13.152 1.741 2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 126 13.811 0.503 -0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 126 13.738 2.218 -0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 126 15.652 2.644 0.509 1.00 0.00 H new ATOM 0 HD3 LYS A 126 15.112 1.719 1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 126 15.655 -0.396 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 126 16.560 0.712 -0.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 18.181 0.852 0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 17.108 1.080 2.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 17.472 -0.490 1.681 1.00 0.00 H new ATOM 1627 N LYS A 127 12.447 -1.693 1.950 1.00 0.00 N ATOM 1628 CA LYS A 127 12.661 -2.722 2.953 1.00 0.00 C ATOM 1629 C LYS A 127 13.761 -2.271 3.915 1.00 0.00 C ATOM 1630 O LYS A 127 14.784 -2.940 4.051 1.00 0.00 O ATOM 1631 CB LYS A 127 12.942 -4.070 2.286 1.00 0.00 C ATOM 1632 CG LYS A 127 13.526 -3.877 0.885 1.00 0.00 C ATOM 1633 CD LYS A 127 14.721 -2.922 0.916 1.00 0.00 C ATOM 1634 CE LYS A 127 15.981 -3.602 0.375 1.00 0.00 C ATOM 1635 NZ LYS A 127 16.883 -2.605 -0.243 1.00 0.00 N ATOM 0 H LYS A 127 12.718 -1.957 1.003 1.00 0.00 H new ATOM 0 HA LYS A 127 11.759 -2.868 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 127 13.637 -4.645 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 127 12.020 -4.648 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 127 13.836 -4.840 0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.759 -3.484 0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 127 14.498 -2.036 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 127 14.895 -2.585 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 127 16.499 -4.118 1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 127 15.706 -4.358 -0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 17.700 -3.091 -0.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 16.370 -2.084 -0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 17.214 -1.938 0.484 1.00 0.00 H new ATOM 1649 N ASN A 128 13.514 -1.138 4.557 1.00 0.00 N ATOM 1650 CA ASN A 128 14.471 -0.589 5.502 1.00 0.00 C ATOM 1651 C ASN A 128 13.735 -0.146 6.767 1.00 0.00 C ATOM 1652 O ASN A 128 14.172 -0.439 7.879 1.00 0.00 O ATOM 1653 CB ASN A 128 15.185 0.631 4.917 1.00 0.00 C ATOM 1654 CG ASN A 128 16.696 0.402 4.846 1.00 0.00 C ATOM 1655 OD1 ASN A 128 17.479 1.043 5.527 1.00 0.00 O ATOM 1656 ND2 ASN A 128 17.059 -0.545 3.987 1.00 0.00 N ATOM 0 H ASN A 128 12.665 -0.585 4.441 1.00 0.00 H new ATOM 0 HA ASN A 128 15.205 -1.363 5.726 1.00 0.00 H new ATOM 0 HB2 ASN A 128 14.798 0.839 3.919 1.00 0.00 H new ATOM 0 HB3 ASN A 128 14.975 1.508 5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 128 18.046 -0.773 3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 128 16.351 -1.043 3.448 1.00 0.00 H new ATOM 1663 N GLY A 129 12.630 0.555 6.556 1.00 0.00 N ATOM 1664 CA GLY A 129 11.829 1.042 7.666 1.00 0.00 C ATOM 1665 C GLY A 129 11.549 2.539 7.524 1.00 0.00 C ATOM 1666 O GLY A 129 11.895 3.326 8.404 1.00 0.00 O ATOM 0 H GLY A 129 12.271 0.797 5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 129 10.887 0.495 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.349 0.853 8.605 1.00 0.00 H new ATOM 1670 N SER A 130 10.924 2.889 6.409 1.00 0.00 N ATOM 1671 CA SER A 130 10.593 4.278 6.140 1.00 0.00 C ATOM 1672 C SER A 130 10.129 4.434 4.691 1.00 0.00 C ATOM 1673 O SER A 130 10.836 4.044 3.763 1.00 0.00 O ATOM 1674 CB SER A 130 11.788 5.192 6.417 1.00 0.00 C ATOM 1675 OG SER A 130 11.817 5.639 7.770 1.00 0.00 O ATOM 0 H SER A 130 10.638 2.234 5.681 1.00 0.00 H new ATOM 0 HA SER A 130 9.783 4.572 6.807 1.00 0.00 H new ATOM 0 HB2 SER A 130 12.712 4.659 6.192 1.00 0.00 H new ATOM 0 HB3 SER A 130 11.747 6.054 5.751 1.00 0.00 H new ATOM 0 HG SER A 130 11.997 4.879 8.362 1.00 0.00 H new ATOM 1681 N CYS A 131 8.943 5.006 4.541 1.00 0.00 N ATOM 1682 CA CYS A 131 8.376 5.219 3.220 1.00 0.00 C ATOM 1683 C CYS A 131 9.482 5.745 2.302 1.00 0.00 C ATOM 1684 O CYS A 131 10.520 6.204 2.775 1.00 0.00 O ATOM 1685 CB CYS A 131 7.174 6.164 3.266 1.00 0.00 C ATOM 1686 SG CYS A 131 6.157 5.957 1.759 1.00 0.00 S ATOM 0 H CYS A 131 8.359 5.329 5.313 1.00 0.00 H new ATOM 0 HA CYS A 131 7.997 4.275 2.827 1.00 0.00 H new ATOM 0 HB2 CYS A 131 6.573 5.958 4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 131 7.515 7.196 3.345 1.00 0.00 H new ATOM 0 HG CYS A 131 5.410 7.008 1.592 1.00 0.00 H new ATOM 1692 N LYS A 132 9.220 5.662 1.006 1.00 0.00 N ATOM 1693 CA LYS A 132 10.179 6.125 0.018 1.00 0.00 C ATOM 1694 C LYS A 132 9.454 6.962 -1.038 1.00 0.00 C ATOM 1695 O LYS A 132 8.331 6.644 -1.423 1.00 0.00 O ATOM 1696 CB LYS A 132 10.961 4.945 -0.564 1.00 0.00 C ATOM 1697 CG LYS A 132 12.436 5.013 -0.163 1.00 0.00 C ATOM 1698 CD LYS A 132 12.587 5.109 1.357 1.00 0.00 C ATOM 1699 CE LYS A 132 13.981 4.660 1.799 1.00 0.00 C ATOM 1700 NZ LYS A 132 14.237 5.067 3.198 1.00 0.00 N ATOM 0 H LYS A 132 8.357 5.281 0.617 1.00 0.00 H new ATOM 0 HA LYS A 132 10.922 6.772 0.484 1.00 0.00 H new ATOM 0 HB2 LYS A 132 10.528 4.008 -0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 132 10.875 4.948 -1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 132 12.957 4.128 -0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 132 12.905 5.877 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 132 12.413 6.136 1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 132 11.831 4.490 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 132 14.067 3.577 1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 132 14.735 5.096 1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 15.187 4.754 3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 14.175 6.102 3.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 13.528 4.631 3.822 1.00 0.00 H new ATOM 1714 N ARG A 133 10.127 8.017 -1.475 1.00 0.00 N ATOM 1715 CA ARG A 133 9.561 8.902 -2.478 1.00 0.00 C ATOM 1716 C ARG A 133 9.393 8.161 -3.806 1.00 0.00 C ATOM 1717 O ARG A 133 10.008 7.118 -4.021 1.00 0.00 O ATOM 1718 CB ARG A 133 10.450 10.128 -2.695 1.00 0.00 C ATOM 1719 CG ARG A 133 11.857 9.715 -3.131 1.00 0.00 C ATOM 1720 CD ARG A 133 12.743 10.941 -3.362 1.00 0.00 C ATOM 1721 NE ARG A 133 11.992 11.974 -4.110 1.00 0.00 N ATOM 1722 CZ ARG A 133 12.281 13.282 -4.081 1.00 0.00 C ATOM 1723 NH1 ARG A 133 13.305 13.725 -3.340 1.00 0.00 N ATOM 1724 NH2 ARG A 133 11.545 14.147 -4.792 1.00 0.00 N ATOM 0 H ARG A 133 11.059 8.278 -1.152 1.00 0.00 H new ATOM 0 HA ARG A 133 8.587 9.233 -2.117 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.006 10.774 -3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.506 10.708 -1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.305 9.077 -2.369 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.799 9.126 -4.046 1.00 0.00 H new ATOM 0 HD2 ARG A 133 13.078 11.344 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 133 13.636 10.655 -3.918 1.00 0.00 H new ATOM 0 HE ARG A 133 11.205 11.671 -4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 133 13.865 13.067 -2.798 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.525 14.721 -3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 133 10.765 13.810 -5.355 1.00 0.00 H new ATOM 0 HH22 ARG A 133 11.765 15.143 -4.770 1.00 0.00 H new ATOM 1738 N GLY A 134 8.557 8.730 -4.662 1.00 0.00 N ATOM 1739 CA GLY A 134 8.300 8.136 -5.963 1.00 0.00 C ATOM 1740 C GLY A 134 9.574 7.524 -6.548 1.00 0.00 C ATOM 1741 O GLY A 134 9.621 6.327 -6.828 1.00 0.00 O ATOM 0 H GLY A 134 8.049 9.596 -4.480 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.533 7.368 -5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.911 8.894 -6.643 1.00 0.00 H new ATOM 1745 N PRO A 135 10.604 8.396 -6.720 1.00 0.00 N ATOM 1746 CA PRO A 135 11.876 7.954 -7.266 1.00 0.00 C ATOM 1747 C PRO A 135 12.673 7.163 -6.228 1.00 0.00 C ATOM 1748 O PRO A 135 13.818 7.500 -5.930 1.00 0.00 O ATOM 1749 CB PRO A 135 12.577 9.227 -7.710 1.00 0.00 C ATOM 1750 CG PRO A 135 11.882 10.363 -6.977 1.00 0.00 C ATOM 1751 CD PRO A 135 10.585 9.820 -6.399 1.00 0.00 C ATOM 0 HA PRO A 135 11.758 7.267 -8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 135 13.638 9.195 -7.464 1.00 0.00 H new ATOM 0 HB3 PRO A 135 12.504 9.357 -8.790 1.00 0.00 H new ATOM 0 HG2 PRO A 135 12.520 10.752 -6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 135 11.680 11.190 -7.658 1.00 0.00 H new ATOM 0 HD2 PRO A 135 10.532 9.983 -5.322 1.00 0.00 H new ATOM 0 HD3 PRO A 135 9.718 10.314 -6.839 1.00 0.00 H new ATOM 1759 N ARG A 136 12.036 6.125 -5.704 1.00 0.00 N ATOM 1760 CA ARG A 136 12.672 5.283 -4.705 1.00 0.00 C ATOM 1761 C ARG A 136 11.795 4.067 -4.399 1.00 0.00 C ATOM 1762 O ARG A 136 11.777 3.579 -3.271 1.00 0.00 O ATOM 1763 CB ARG A 136 12.926 6.059 -3.411 1.00 0.00 C ATOM 1764 CG ARG A 136 14.416 6.353 -3.231 1.00 0.00 C ATOM 1765 CD ARG A 136 15.153 5.131 -2.678 1.00 0.00 C ATOM 1766 NE ARG A 136 16.357 5.561 -1.933 1.00 0.00 N ATOM 1767 CZ ARG A 136 17.426 4.782 -1.718 1.00 0.00 C ATOM 1768 NH1 ARG A 136 17.447 3.529 -2.191 1.00 0.00 N ATOM 1769 NH2 ARG A 136 18.474 5.256 -1.031 1.00 0.00 N ATOM 0 H ARG A 136 11.086 5.848 -5.953 1.00 0.00 H new ATOM 0 HA ARG A 136 13.628 4.953 -5.110 1.00 0.00 H new ATOM 0 HB2 ARG A 136 12.367 6.994 -3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 136 12.560 5.484 -2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 136 14.851 6.643 -4.187 1.00 0.00 H new ATOM 0 HG3 ARG A 136 14.545 7.197 -2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 136 14.493 4.564 -2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 136 15.438 4.468 -3.495 1.00 0.00 H new ATOM 0 HE ARG A 136 16.374 6.510 -1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 136 16.650 3.168 -2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 136 18.260 2.936 -2.028 1.00 0.00 H new ATOM 0 HH21 ARG A 136 18.459 6.210 -0.671 1.00 0.00 H new ATOM 0 HH22 ARG A 136 19.287 4.663 -0.868 1.00 0.00 H new ATOM 1783 N THR A 137 11.089 3.615 -5.425 1.00 0.00 N ATOM 1784 CA THR A 137 10.211 2.465 -5.280 1.00 0.00 C ATOM 1785 C THR A 137 10.215 1.627 -6.559 1.00 0.00 C ATOM 1786 O THR A 137 9.571 1.986 -7.543 1.00 0.00 O ATOM 1787 CB THR A 137 8.822 2.977 -4.893 1.00 0.00 C ATOM 1788 OG1 THR A 137 8.218 3.317 -6.138 1.00 0.00 O ATOM 1789 CG2 THR A 137 8.878 4.303 -4.131 1.00 0.00 C ATOM 0 H THR A 137 11.107 4.023 -6.359 1.00 0.00 H new ATOM 0 HA THR A 137 10.559 1.798 -4.491 1.00 0.00 H new ATOM 0 HB THR A 137 8.317 2.229 -4.282 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.903 3.343 -6.838 1.00 0.00 H new ATOM 0 HG21 THR A 137 7.866 4.622 -3.880 1.00 0.00 H new ATOM 0 HG22 THR A 137 9.455 4.172 -3.215 1.00 0.00 H new ATOM 0 HG23 THR A 137 9.353 5.061 -4.754 1.00 0.00 H new ATOM 1797 N HIS A 138 10.948 0.524 -6.503 1.00 0.00 N ATOM 1798 CA HIS A 138 11.044 -0.369 -7.645 1.00 0.00 C ATOM 1799 C HIS A 138 11.258 -1.803 -7.159 1.00 0.00 C ATOM 1800 O HIS A 138 11.419 -2.039 -5.962 1.00 0.00 O ATOM 1801 CB HIS A 138 12.136 0.099 -8.610 1.00 0.00 C ATOM 1802 CG HIS A 138 12.304 1.598 -8.668 1.00 0.00 C ATOM 1803 ND1 HIS A 138 12.759 2.344 -7.594 1.00 0.00 N ATOM 1804 CD2 HIS A 138 12.073 2.482 -9.680 1.00 0.00 C ATOM 1805 CE1 HIS A 138 12.796 3.618 -7.955 1.00 0.00 C ATOM 1806 NE2 HIS A 138 12.370 3.702 -9.248 1.00 0.00 N ATOM 0 H HIS A 138 11.481 0.229 -5.685 1.00 0.00 H new ATOM 0 HA HIS A 138 10.110 -0.348 -8.207 1.00 0.00 H new ATOM 0 HB2 HIS A 138 13.084 -0.351 -8.315 1.00 0.00 H new ATOM 0 HB3 HIS A 138 11.905 -0.269 -9.610 1.00 0.00 H new ATOM 0 HD2 HIS A 138 11.710 2.232 -10.666 1.00 0.00 H new ATOM 0 HE1 HIS A 138 13.109 4.445 -7.335 1.00 0.00 H new ATOM 0 HE2 HIS A 138 12.292 4.561 -9.793 1.00 0.00 H new ATOM 1814 N TYR A 139 11.252 -2.725 -8.111 1.00 0.00 N ATOM 1815 CA TYR A 139 11.443 -4.130 -7.794 1.00 0.00 C ATOM 1816 C TYR A 139 12.716 -4.338 -6.970 1.00 0.00 C ATOM 1817 O TYR A 139 13.294 -3.379 -6.462 1.00 0.00 O ATOM 1818 CB TYR A 139 11.596 -4.847 -9.137 1.00 0.00 C ATOM 1819 CG TYR A 139 10.605 -5.994 -9.346 1.00 0.00 C ATOM 1820 CD1 TYR A 139 9.311 -5.881 -8.881 1.00 0.00 C ATOM 1821 CD2 TYR A 139 11.006 -7.142 -10.000 1.00 0.00 C ATOM 1822 CE1 TYR A 139 8.378 -6.960 -9.078 1.00 0.00 C ATOM 1823 CE2 TYR A 139 10.073 -8.221 -10.196 1.00 0.00 C ATOM 1824 CZ TYR A 139 8.805 -8.077 -9.726 1.00 0.00 C ATOM 1825 OH TYR A 139 7.924 -9.096 -9.911 1.00 0.00 O ATOM 0 H TYR A 139 11.118 -2.526 -9.102 1.00 0.00 H new ATOM 0 HA TYR A 139 10.605 -4.510 -7.210 1.00 0.00 H new ATOM 0 HB2 TYR A 139 11.471 -4.122 -9.941 1.00 0.00 H new ATOM 0 HB3 TYR A 139 12.610 -5.238 -9.215 1.00 0.00 H new ATOM 0 HD1 TYR A 139 8.998 -4.983 -8.369 1.00 0.00 H new ATOM 0 HD2 TYR A 139 12.019 -7.231 -10.364 1.00 0.00 H new ATOM 0 HE1 TYR A 139 7.362 -6.884 -8.719 1.00 0.00 H new ATOM 0 HE2 TYR A 139 10.374 -9.125 -10.705 1.00 0.00 H new ATOM 0 HH TYR A 139 8.366 -9.828 -10.389 1.00 0.00 H new ATOM 1891 N ILE A 144 7.447 -4.246 -1.986 1.00 0.00 N ATOM 1892 CA ILE A 144 6.305 -4.142 -2.879 1.00 0.00 C ATOM 1893 C ILE A 144 5.381 -5.342 -2.660 1.00 0.00 C ATOM 1894 O ILE A 144 4.163 -5.223 -2.785 1.00 0.00 O ATOM 1895 CB ILE A 144 6.770 -3.981 -4.327 1.00 0.00 C ATOM 1896 CG1 ILE A 144 7.458 -5.254 -4.827 1.00 0.00 C ATOM 1897 CG2 ILE A 144 7.663 -2.749 -4.483 1.00 0.00 C ATOM 1898 CD1 ILE A 144 8.262 -4.979 -6.099 1.00 0.00 C ATOM 0 HA ILE A 144 5.725 -3.247 -2.653 1.00 0.00 H new ATOM 0 HB ILE A 144 5.891 -3.823 -4.952 1.00 0.00 H new ATOM 0 HG12 ILE A 144 8.118 -5.643 -4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 144 6.710 -6.022 -5.024 1.00 0.00 H new ATOM 0 HG21 ILE A 144 7.980 -2.658 -5.522 1.00 0.00 H new ATOM 0 HG22 ILE A 144 7.107 -1.857 -4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 144 8.540 -2.852 -3.844 1.00 0.00 H new ATOM 0 HD11 ILE A 144 8.741 -5.900 -6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 144 7.595 -4.613 -6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 144 9.025 -4.228 -5.892 1.00 0.00 H new ATOM 1910 N LEU A 145 5.995 -6.470 -2.336 1.00 0.00 N ATOM 1911 CA LEU A 145 5.243 -7.690 -2.098 1.00 0.00 C ATOM 1912 C LEU A 145 4.432 -7.541 -0.809 1.00 0.00 C ATOM 1913 O LEU A 145 4.999 -7.428 0.276 1.00 0.00 O ATOM 1914 CB LEU A 145 6.175 -8.904 -2.100 1.00 0.00 C ATOM 1915 CG LEU A 145 7.165 -8.987 -3.264 1.00 0.00 C ATOM 1916 CD1 LEU A 145 8.311 -9.947 -2.942 1.00 0.00 C ATOM 1917 CD2 LEU A 145 6.451 -9.362 -4.565 1.00 0.00 C ATOM 0 H LEU A 145 7.005 -6.565 -2.233 1.00 0.00 H new ATOM 0 HA LEU A 145 4.532 -7.862 -2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.740 -8.905 -1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 145 5.564 -9.807 -2.104 1.00 0.00 H new ATOM 0 HG LEU A 145 7.604 -8.000 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 145 9.000 -9.987 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 145 8.842 -9.596 -2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 145 7.909 -10.943 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 145 7.177 -9.414 -5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 145 5.967 -10.332 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 145 5.700 -8.607 -4.798 1.00 0.00 H new ATOM 1929 N PHE A 146 3.117 -7.546 -0.972 1.00 0.00 N ATOM 1930 CA PHE A 146 2.222 -7.412 0.165 1.00 0.00 C ATOM 1931 C PHE A 146 1.316 -8.639 0.297 1.00 0.00 C ATOM 1932 O PHE A 146 0.645 -9.025 -0.659 1.00 0.00 O ATOM 1933 CB PHE A 146 1.354 -6.178 -0.091 1.00 0.00 C ATOM 1934 CG PHE A 146 2.031 -4.855 0.275 1.00 0.00 C ATOM 1935 CD1 PHE A 146 2.774 -4.763 1.410 1.00 0.00 C ATOM 1936 CD2 PHE A 146 1.889 -3.772 -0.535 1.00 0.00 C ATOM 1937 CE1 PHE A 146 3.402 -3.535 1.750 1.00 0.00 C ATOM 1938 CE2 PHE A 146 2.517 -2.545 -0.195 1.00 0.00 C ATOM 1939 CZ PHE A 146 3.260 -2.452 0.940 1.00 0.00 C ATOM 0 H PHE A 146 2.650 -7.641 -1.874 1.00 0.00 H new ATOM 0 HA PHE A 146 2.800 -7.319 1.084 1.00 0.00 H new ATOM 0 HB2 PHE A 146 1.077 -6.153 -1.145 1.00 0.00 H new ATOM 0 HB3 PHE A 146 0.430 -6.272 0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 146 2.887 -5.623 2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 146 1.299 -3.845 -1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 146 3.992 -3.462 2.652 1.00 0.00 H new ATOM 0 HE2 PHE A 146 2.405 -1.685 -0.838 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.737 -1.518 1.198 1.00 0.00 H new ATOM 1949 N LEU A 147 1.327 -9.216 1.489 1.00 0.00 N ATOM 1950 CA LEU A 147 0.515 -10.391 1.759 1.00 0.00 C ATOM 1951 C LEU A 147 -0.530 -10.050 2.823 1.00 0.00 C ATOM 1952 O LEU A 147 -0.228 -10.050 4.016 1.00 0.00 O ATOM 1953 CB LEU A 147 1.402 -11.582 2.126 1.00 0.00 C ATOM 1954 CG LEU A 147 0.878 -12.960 1.717 1.00 0.00 C ATOM 1955 CD1 LEU A 147 -0.165 -13.469 2.714 1.00 0.00 C ATOM 1956 CD2 LEU A 147 0.339 -12.939 0.285 1.00 0.00 C ATOM 0 H LEU A 147 1.885 -8.892 2.279 1.00 0.00 H new ATOM 0 HA LEU A 147 -0.029 -10.693 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 147 2.380 -11.436 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 147 1.553 -11.578 3.206 1.00 0.00 H new ATOM 0 HG LEU A 147 1.712 -13.662 1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -0.521 -14.450 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 147 0.285 -13.546 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -1.004 -12.774 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -0.027 -13.931 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -0.477 -12.220 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 147 1.137 -12.651 -0.400 1.00 0.00 H new ATOM 1968 N PRO A 148 -1.768 -9.761 2.342 1.00 0.00 N ATOM 1969 CA PRO A 148 -2.859 -9.420 3.239 1.00 0.00 C ATOM 1970 C PRO A 148 -3.390 -10.663 3.955 1.00 0.00 C ATOM 1971 O PRO A 148 -3.546 -11.718 3.341 1.00 0.00 O ATOM 1972 CB PRO A 148 -3.901 -8.753 2.355 1.00 0.00 C ATOM 1973 CG PRO A 148 -3.562 -9.161 0.931 1.00 0.00 C ATOM 1974 CD PRO A 148 -2.161 -9.752 0.936 1.00 0.00 C ATOM 0 HA PRO A 148 -2.550 -8.751 4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -4.907 -9.076 2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -3.873 -7.669 2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.283 -9.890 0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.610 -8.299 0.265 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.154 -10.758 0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.476 -9.152 0.337 1.00 0.00 H new ATOM 1982 N LEU A 149 -3.653 -10.498 5.243 1.00 0.00 N ATOM 1983 CA LEU A 149 -4.163 -11.594 6.049 1.00 0.00 C ATOM 1984 C LEU A 149 -5.445 -11.149 6.755 1.00 0.00 C ATOM 1985 O LEU A 149 -5.413 -10.760 7.921 1.00 0.00 O ATOM 1986 CB LEU A 149 -3.082 -12.106 7.003 1.00 0.00 C ATOM 1987 CG LEU A 149 -2.001 -11.097 7.395 1.00 0.00 C ATOM 1988 CD1 LEU A 149 -1.585 -11.279 8.856 1.00 0.00 C ATOM 1989 CD2 LEU A 149 -0.805 -11.178 6.444 1.00 0.00 C ATOM 0 H LEU A 149 -3.522 -9.622 5.748 1.00 0.00 H new ATOM 0 HA LEU A 149 -4.425 -12.442 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -3.567 -12.461 7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -2.598 -12.967 6.543 1.00 0.00 H new ATOM 0 HG LEU A 149 -2.419 -10.095 7.302 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -0.816 -10.549 9.109 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -2.451 -11.132 9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -1.192 -12.285 9.000 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -0.051 -10.451 6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.378 -12.180 6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -1.133 -10.961 5.427 1.00 0.00 H new ATOM 2001 N PRO A 150 -6.573 -11.222 5.998 1.00 0.00 N ATOM 2002 CA PRO A 150 -7.864 -10.832 6.539 1.00 0.00 C ATOM 2003 C PRO A 150 -8.399 -11.893 7.502 1.00 0.00 C ATOM 2004 O PRO A 150 -7.818 -12.969 7.631 1.00 0.00 O ATOM 2005 CB PRO A 150 -8.754 -10.629 5.324 1.00 0.00 C ATOM 2006 CG PRO A 150 -8.071 -11.360 4.179 1.00 0.00 C ATOM 2007 CD PRO A 150 -6.649 -11.678 4.613 1.00 0.00 C ATOM 0 HA PRO A 150 -7.812 -9.921 7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -9.753 -11.027 5.501 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -8.869 -9.569 5.097 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -8.610 -12.276 3.935 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -8.067 -10.743 3.280 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -6.441 -12.745 4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -5.920 -11.165 3.987 1.00 0.00 H new ATOM 2015 N VAL A 151 -9.501 -11.552 8.154 1.00 0.00 N ATOM 2016 CA VAL A 151 -10.121 -12.463 9.102 1.00 0.00 C ATOM 2017 C VAL A 151 -11.457 -11.877 9.566 1.00 0.00 C ATOM 2018 O VAL A 151 -11.844 -12.045 10.721 1.00 0.00 O ATOM 2019 CB VAL A 151 -9.161 -12.749 10.258 1.00 0.00 C ATOM 2020 CG1 VAL A 151 -8.309 -13.987 9.968 1.00 0.00 C ATOM 2021 CG2 VAL A 151 -8.280 -11.534 10.552 1.00 0.00 C ATOM 0 H VAL A 151 -9.980 -10.658 8.045 1.00 0.00 H new ATOM 0 HA VAL A 151 -10.332 -13.422 8.628 1.00 0.00 H new ATOM 0 HB VAL A 151 -9.758 -12.953 11.147 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -7.635 -14.169 10.805 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -8.958 -14.852 9.831 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -7.726 -13.823 9.062 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -7.607 -11.764 11.378 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -7.696 -11.285 9.666 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -8.909 -10.685 10.822 1.00 0.00 H new