USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 662 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 149 TYR OH : rot -15:sc= -0.841 USER MOD Set 1.2: A 202 HIS : no HD1:sc= -2.4 K(o=-3.2,f=-1.1) USER MOD Single : A 147 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 150 GLN : amide:sc= 1.06 K(o=1.1,f=-0.0052) USER MOD Single : A 155 CYS SG : rot 180:sc= -0.19 USER MOD Single : A 158 LYS NZ :NH3+ 170:sc= 0.972 (180deg=0.878) USER MOD Single : A 161 THR OG1 : rot 180:sc= 0.00052 USER MOD Single : A 162 TYR OH : rot 25:sc= 1.23 USER MOD Single : A 166 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 169 GLN : amide:sc=-5.64e-05 K(o=-5.6e-05,f=-0.9) USER MOD Single : A 171 THR OG1 : rot -94:sc= -0.0999 USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 173 SER OG : rot 80:sc= 1.27 USER MOD Single : A 174 ASN : amide:sc= 0.935 K(o=0.94,f=-2.8!) USER MOD Single : A 177 THR OG1 : rot 180:sc= 0 USER MOD Single : A 183 THR OG1 : rot 180:sc= 0 USER MOD Single : A 190 ASN : amide:sc= -1.97! K(o=-2!,f=-0.82) USER MOD Single : A 192 THR OG1 : rot 28:sc= 0.142 USER MOD Single : A 194 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 196 HIS : no HE2:sc= -0.909 X(o=-0.91,f=-0.76) USER MOD Single : A 199 MET CE :methyl -164:sc= -0.443 (180deg=-1.15) USER MOD Single : A 203 THR OG1 : rot 180:sc= 0 USER MOD Single : A 206 LYS NZ :NH3+ 179:sc= 1.27 (180deg=1.26) USER MOD Single : A 215 SER OG : rot 4:sc= 1.1 USER MOD Single : A 217 GLN : amide:sc= -1.77! C(o=-1.8!,f=-4.1!) USER MOD Single : A 221 TYR OH : rot 34:sc= 0.774 USER MOD Single : A 224 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 226 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 65 N LEU A 146 3.417 15.368 -1.690 1.00 54.11 N ATOM 66 CA LEU A 146 2.578 14.261 -1.832 1.00 44.12 C ATOM 67 C LEU A 146 2.348 13.778 -0.432 1.00 74.01 C ATOM 68 O LEU A 146 3.169 14.058 0.453 1.00 54.33 O ATOM 69 CB LEU A 146 3.240 13.144 -2.684 1.00 0.33 C ATOM 70 CG LEU A 146 3.649 13.486 -4.141 1.00 21.41 C ATOM 71 CD1 LEU A 146 4.936 14.301 -4.201 1.00 70.24 C ATOM 72 CD2 LEU A 146 3.771 12.227 -4.984 1.00 41.42 C ATOM 0 HA LEU A 146 1.654 14.524 -2.347 1.00 44.12 H new ATOM 0 HB2 LEU A 146 4.132 12.807 -2.157 1.00 0.33 H new ATOM 0 HB3 LEU A 146 2.552 12.299 -2.720 1.00 0.33 H new ATOM 0 HG LEU A 146 2.854 14.105 -4.556 1.00 21.41 H new ATOM 0 HD11 LEU A 146 5.182 14.516 -5.241 1.00 70.24 H new ATOM 0 HD12 LEU A 146 4.800 15.237 -3.659 1.00 70.24 H new ATOM 0 HD13 LEU A 146 5.748 13.733 -3.746 1.00 70.24 H new ATOM 0 HD21 LEU A 146 4.059 12.496 -6.000 1.00 41.42 H new ATOM 0 HD22 LEU A 146 4.529 11.573 -4.553 1.00 41.42 H new ATOM 0 HD23 LEU A 146 2.813 11.708 -5.004 1.00 41.42 H new ATOM 84 N GLN A 147 1.260 13.140 -0.186 1.00 21.31 N ATOM 85 CA GLN A 147 1.019 12.638 1.141 1.00 30.43 C ATOM 86 C GLN A 147 1.570 11.246 1.256 1.00 73.24 C ATOM 87 O GLN A 147 1.194 10.371 0.466 1.00 75.21 O ATOM 88 CB GLN A 147 -0.460 12.634 1.504 1.00 70.33 C ATOM 89 CG GLN A 147 -1.144 13.984 1.438 1.00 40.11 C ATOM 90 CD GLN A 147 -0.419 15.085 2.191 1.00 2.31 C ATOM 91 OE1 GLN A 147 -0.619 15.283 3.382 1.00 73.51 O ATOM 92 NE2 GLN A 147 0.362 15.859 1.481 1.00 50.32 N ATOM 0 H GLN A 147 0.525 12.949 -0.867 1.00 21.31 H new ATOM 0 HA GLN A 147 1.522 13.307 1.840 1.00 30.43 H new ATOM 0 HB2 GLN A 147 -0.980 11.948 0.835 1.00 70.33 H new ATOM 0 HB3 GLN A 147 -0.569 12.238 2.514 1.00 70.33 H new ATOM 0 HG2 GLN A 147 -1.243 14.278 0.393 1.00 40.11 H new ATOM 0 HG3 GLN A 147 -2.153 13.888 1.839 1.00 40.11 H new ATOM 0 HE21 GLN A 147 0.507 15.666 0.490 1.00 50.32 H new ATOM 0 HE22 GLN A 147 0.825 16.655 1.919 1.00 50.32 H new ATOM 101 N PRO A 148 2.505 11.028 2.182 1.00 5.13 N ATOM 102 CA PRO A 148 3.051 9.721 2.424 1.00 44.15 C ATOM 103 C PRO A 148 2.045 8.858 3.149 1.00 14.35 C ATOM 104 O PRO A 148 1.553 9.200 4.227 1.00 0.31 O ATOM 105 CB PRO A 148 4.289 9.974 3.284 1.00 2.40 C ATOM 106 CG PRO A 148 4.036 11.277 3.952 1.00 43.43 C ATOM 107 CD PRO A 148 3.114 12.053 3.058 1.00 43.54 C ATOM 0 HA PRO A 148 3.299 9.191 1.504 1.00 44.15 H new ATOM 0 HB2 PRO A 148 4.431 9.178 4.014 1.00 2.40 H new ATOM 0 HB3 PRO A 148 5.192 10.012 2.674 1.00 2.40 H new ATOM 0 HG2 PRO A 148 3.586 11.127 4.934 1.00 43.43 H new ATOM 0 HG3 PRO A 148 4.969 11.819 4.108 1.00 43.43 H new ATOM 0 HD2 PRO A 148 2.357 12.585 3.634 1.00 43.54 H new ATOM 0 HD3 PRO A 148 3.657 12.800 2.479 1.00 43.54 H new ATOM 115 N TYR A 149 1.692 7.804 2.534 1.00 2.04 N ATOM 116 CA TYR A 149 0.762 6.875 3.092 1.00 61.24 C ATOM 117 C TYR A 149 1.405 5.543 3.235 1.00 40.30 C ATOM 118 O TYR A 149 2.214 5.157 2.413 1.00 30.31 O ATOM 119 CB TYR A 149 -0.452 6.711 2.187 1.00 53.03 C ATOM 120 CG TYR A 149 -1.328 7.917 2.094 1.00 32.11 C ATOM 121 CD1 TYR A 149 -1.903 8.435 3.229 1.00 73.52 C ATOM 122 CD2 TYR A 149 -1.618 8.514 0.876 1.00 40.32 C ATOM 123 CE1 TYR A 149 -2.743 9.506 3.173 1.00 31.51 C ATOM 124 CE2 TYR A 149 -2.462 9.602 0.813 1.00 61.22 C ATOM 125 CZ TYR A 149 -3.020 10.088 1.964 1.00 15.34 C ATOM 126 OH TYR A 149 -3.864 11.149 1.903 1.00 33.15 O ATOM 0 H TYR A 149 2.039 7.544 1.611 1.00 2.04 H new ATOM 0 HA TYR A 149 0.449 7.261 4.062 1.00 61.24 H new ATOM 0 HB2 TYR A 149 -0.109 6.449 1.186 1.00 53.03 H new ATOM 0 HB3 TYR A 149 -1.048 5.873 2.549 1.00 53.03 H new ATOM 0 HD1 TYR A 149 -1.685 7.984 4.186 1.00 73.52 H new ATOM 0 HD2 TYR A 149 -1.179 8.123 -0.030 1.00 40.32 H new ATOM 0 HE1 TYR A 149 -3.188 9.894 4.077 1.00 31.51 H new ATOM 0 HE2 TYR A 149 -2.681 10.067 -0.137 1.00 61.22 H new ATOM 0 HH TYR A 149 -4.363 11.219 2.743 1.00 33.15 H new ATOM 136 N GLN A 150 1.079 4.857 4.263 1.00 3.25 N ATOM 137 CA GLN A 150 1.505 3.513 4.398 1.00 62.40 C ATOM 138 C GLN A 150 0.285 2.649 4.547 1.00 11.21 C ATOM 139 O GLN A 150 -0.524 2.830 5.458 1.00 22.21 O ATOM 140 CB GLN A 150 2.506 3.314 5.538 1.00 50.44 C ATOM 141 CG GLN A 150 2.016 3.696 6.921 1.00 24.30 C ATOM 142 CD GLN A 150 3.090 3.544 7.964 1.00 35.05 C ATOM 143 OE1 GLN A 150 3.261 2.481 8.560 1.00 14.31 O ATOM 144 NE2 GLN A 150 3.789 4.597 8.224 1.00 62.15 N ATOM 0 H GLN A 150 0.511 5.207 5.034 1.00 3.25 H new ATOM 0 HA GLN A 150 2.054 3.221 3.502 1.00 62.40 H new ATOM 0 HB2 GLN A 150 2.804 2.266 5.556 1.00 50.44 H new ATOM 0 HB3 GLN A 150 3.401 3.896 5.317 1.00 50.44 H new ATOM 0 HG2 GLN A 150 1.666 4.728 6.909 1.00 24.30 H new ATOM 0 HG3 GLN A 150 1.162 3.073 7.187 1.00 24.30 H new ATOM 0 HE21 GLN A 150 3.620 5.461 7.710 1.00 62.15 H new ATOM 0 HE22 GLN A 150 4.511 4.565 8.944 1.00 62.15 H new ATOM 153 N VAL A 151 0.117 1.782 3.629 1.00 54.24 N ATOM 154 CA VAL A 151 -1.030 0.905 3.606 1.00 32.41 C ATOM 155 C VAL A 151 -0.578 -0.478 3.965 1.00 34.52 C ATOM 156 O VAL A 151 0.224 -1.076 3.254 1.00 3.30 O ATOM 157 CB VAL A 151 -1.726 0.893 2.212 1.00 61.22 C ATOM 158 CG1 VAL A 151 -2.908 -0.072 2.196 1.00 75.11 C ATOM 159 CG2 VAL A 151 -2.191 2.294 1.831 1.00 25.44 C ATOM 0 H VAL A 151 0.766 1.643 2.855 1.00 54.24 H new ATOM 0 HA VAL A 151 -1.762 1.269 4.327 1.00 32.41 H new ATOM 0 HB VAL A 151 -0.995 0.553 1.479 1.00 61.22 H new ATOM 0 HG11 VAL A 151 -3.374 -0.060 1.211 1.00 75.11 H new ATOM 0 HG12 VAL A 151 -2.558 -1.080 2.419 1.00 75.11 H new ATOM 0 HG13 VAL A 151 -3.637 0.233 2.947 1.00 75.11 H new ATOM 0 HG21 VAL A 151 -2.674 2.264 0.854 1.00 25.44 H new ATOM 0 HG22 VAL A 151 -2.899 2.657 2.575 1.00 25.44 H new ATOM 0 HG23 VAL A 151 -1.332 2.964 1.790 1.00 25.44 H new ATOM 169 N ARG A 152 -1.056 -0.966 5.069 1.00 44.11 N ATOM 170 CA ARG A 152 -0.672 -2.251 5.556 1.00 64.45 C ATOM 171 C ARG A 152 -1.821 -3.228 5.407 1.00 54.20 C ATOM 172 O ARG A 152 -2.839 -3.131 6.097 1.00 24.04 O ATOM 173 CB ARG A 152 -0.236 -2.136 7.010 1.00 44.14 C ATOM 174 CG ARG A 152 0.204 -3.435 7.642 1.00 34.23 C ATOM 175 CD ARG A 152 0.569 -3.210 9.083 1.00 45.14 C ATOM 176 NE ARG A 152 0.865 -4.454 9.786 1.00 54.21 N ATOM 177 CZ ARG A 152 0.303 -4.808 10.951 1.00 2.25 C ATOM 178 NH1 ARG A 152 -0.498 -3.953 11.594 1.00 0.02 N ATOM 179 NH2 ARG A 152 0.579 -5.987 11.495 1.00 2.22 N ATOM 0 H ARG A 152 -1.729 -0.478 5.660 1.00 44.11 H new ATOM 0 HA ARG A 152 0.168 -2.627 4.972 1.00 64.45 H new ATOM 0 HB2 ARG A 152 0.584 -1.421 7.074 1.00 44.14 H new ATOM 0 HB3 ARG A 152 -1.062 -1.726 7.591 1.00 44.14 H new ATOM 0 HG2 ARG A 152 -0.596 -4.172 7.572 1.00 34.23 H new ATOM 0 HG3 ARG A 152 1.059 -3.841 7.101 1.00 34.23 H new ATOM 0 HD2 ARG A 152 1.436 -2.551 9.136 1.00 45.14 H new ATOM 0 HD3 ARG A 152 -0.251 -2.698 9.586 1.00 45.14 H new ATOM 0 HE ARG A 152 1.540 -5.093 9.366 1.00 54.21 H new ATOM 0 HH11 ARG A 152 -0.682 -3.031 11.199 1.00 0.02 H new ATOM 0 HH12 ARG A 152 -0.925 -4.223 12.480 1.00 0.02 H new ATOM 0 HH21 ARG A 152 1.220 -6.627 11.027 1.00 2.22 H new ATOM 0 HH22 ARG A 152 0.150 -6.253 12.381 1.00 2.22 H new ATOM 193 N VAL A 153 -1.674 -4.128 4.493 1.00 45.45 N ATOM 194 CA VAL A 153 -2.662 -5.142 4.259 1.00 54.34 C ATOM 195 C VAL A 153 -2.068 -6.503 4.628 1.00 2.31 C ATOM 196 O VAL A 153 -0.884 -6.757 4.384 1.00 63.05 O ATOM 197 CB VAL A 153 -3.189 -5.122 2.774 1.00 73.41 C ATOM 198 CG1 VAL A 153 -2.057 -5.249 1.761 1.00 32.02 C ATOM 199 CG2 VAL A 153 -4.221 -6.213 2.540 1.00 0.11 C ATOM 0 H VAL A 153 -0.861 -4.186 3.880 1.00 45.45 H new ATOM 0 HA VAL A 153 -3.530 -4.943 4.888 1.00 54.34 H new ATOM 0 HB VAL A 153 -3.663 -4.152 2.626 1.00 73.41 H new ATOM 0 HG11 VAL A 153 -2.468 -5.230 0.752 1.00 32.02 H new ATOM 0 HG12 VAL A 153 -1.363 -4.418 1.885 1.00 32.02 H new ATOM 0 HG13 VAL A 153 -1.530 -6.189 1.921 1.00 32.02 H new ATOM 0 HG21 VAL A 153 -4.565 -6.173 1.506 1.00 0.11 H new ATOM 0 HG22 VAL A 153 -3.772 -7.187 2.735 1.00 0.11 H new ATOM 0 HG23 VAL A 153 -5.067 -6.063 3.210 1.00 0.11 H new ATOM 209 N ILE A 154 -2.841 -7.323 5.286 1.00 52.31 N ATOM 210 CA ILE A 154 -2.413 -8.651 5.649 1.00 72.32 C ATOM 211 C ILE A 154 -3.226 -9.623 4.810 1.00 41.42 C ATOM 212 O ILE A 154 -4.449 -9.686 4.950 1.00 32.04 O ATOM 213 CB ILE A 154 -2.631 -8.982 7.182 1.00 64.14 C ATOM 214 CG1 ILE A 154 -1.857 -8.026 8.137 1.00 71.34 C ATOM 215 CG2 ILE A 154 -2.242 -10.427 7.485 1.00 2.50 C ATOM 216 CD1 ILE A 154 -2.418 -6.617 8.264 1.00 1.50 C ATOM 0 H ILE A 154 -3.788 -7.091 5.587 1.00 52.31 H new ATOM 0 HA ILE A 154 -1.341 -8.731 5.467 1.00 72.32 H new ATOM 0 HB ILE A 154 -3.695 -8.834 7.369 1.00 64.14 H new ATOM 0 HG12 ILE A 154 -1.831 -8.477 9.129 1.00 71.34 H new ATOM 0 HG13 ILE A 154 -0.825 -7.956 7.792 1.00 71.34 H new ATOM 0 HG21 ILE A 154 -2.400 -10.632 8.544 1.00 2.50 H new ATOM 0 HG22 ILE A 154 -2.857 -11.102 6.889 1.00 2.50 H new ATOM 0 HG23 ILE A 154 -1.191 -10.580 7.239 1.00 2.50 H new ATOM 0 HD11 ILE A 154 -1.801 -6.040 8.953 1.00 1.50 H new ATOM 0 HD12 ILE A 154 -2.417 -6.135 7.286 1.00 1.50 H new ATOM 0 HD13 ILE A 154 -3.439 -6.665 8.644 1.00 1.50 H new ATOM 228 N CYS A 155 -2.579 -10.352 3.948 1.00 53.25 N ATOM 229 CA CYS A 155 -3.274 -11.256 3.064 1.00 32.23 C ATOM 230 C CYS A 155 -2.504 -12.537 2.921 1.00 31.44 C ATOM 231 O CYS A 155 -1.362 -12.613 3.357 1.00 3.10 O ATOM 232 CB CYS A 155 -3.469 -10.600 1.695 1.00 72.14 C ATOM 233 SG CYS A 155 -1.946 -10.002 0.927 1.00 1.44 S ATOM 0 H CYS A 155 -1.565 -10.341 3.834 1.00 53.25 H new ATOM 0 HA CYS A 155 -4.252 -11.484 3.489 1.00 32.23 H new ATOM 0 HB2 CYS A 155 -3.941 -11.319 1.025 1.00 72.14 H new ATOM 0 HB3 CYS A 155 -4.160 -9.764 1.802 1.00 72.14 H new ATOM 0 HG CYS A 155 -2.222 -9.468 -0.226 1.00 1.44 H new ATOM 239 N ARG A 156 -3.138 -13.544 2.346 1.00 3.21 N ATOM 240 CA ARG A 156 -2.480 -14.833 2.044 1.00 22.44 C ATOM 241 C ARG A 156 -1.219 -14.554 1.191 1.00 21.52 C ATOM 242 O ARG A 156 -1.211 -13.605 0.418 1.00 12.12 O ATOM 243 CB ARG A 156 -3.409 -15.722 1.180 1.00 35.54 C ATOM 244 CG ARG A 156 -4.794 -16.017 1.738 1.00 14.10 C ATOM 245 CD ARG A 156 -4.778 -16.924 2.959 1.00 23.04 C ATOM 246 NE ARG A 156 -4.218 -18.254 2.701 1.00 12.24 N ATOM 247 CZ ARG A 156 -4.899 -19.304 2.220 1.00 52.14 C ATOM 248 NH1 ARG A 156 -6.144 -19.165 1.763 1.00 24.33 N ATOM 249 NH2 ARG A 156 -4.311 -20.492 2.201 1.00 13.24 N ATOM 0 H ARG A 156 -4.119 -13.506 2.071 1.00 3.21 H new ATOM 0 HA ARG A 156 -2.241 -15.330 2.984 1.00 22.44 H new ATOM 0 HB2 ARG A 156 -3.530 -15.243 0.208 1.00 35.54 H new ATOM 0 HB3 ARG A 156 -2.904 -16.672 1.006 1.00 35.54 H new ATOM 0 HG2 ARG A 156 -5.279 -15.077 2.001 1.00 14.10 H new ATOM 0 HG3 ARG A 156 -5.399 -16.481 0.959 1.00 14.10 H new ATOM 0 HD2 ARG A 156 -4.201 -16.444 3.749 1.00 23.04 H new ATOM 0 HD3 ARG A 156 -5.797 -17.035 3.331 1.00 23.04 H new ATOM 0 HE ARG A 156 -3.228 -18.392 2.904 1.00 12.24 H new ATOM 0 HH11 ARG A 156 -6.593 -18.249 1.776 1.00 24.33 H new ATOM 0 HH12 ARG A 156 -6.648 -19.975 1.400 1.00 24.33 H new ATOM 0 HH21 ARG A 156 -3.357 -20.595 2.548 1.00 13.24 H new ATOM 0 HH22 ARG A 156 -4.812 -21.303 1.839 1.00 13.24 H new ATOM 263 N PRO A 157 -0.160 -15.376 1.268 1.00 50.25 N ATOM 264 CA PRO A 157 1.027 -15.189 0.404 1.00 2.02 C ATOM 265 C PRO A 157 0.647 -15.524 -1.026 1.00 63.10 C ATOM 266 O PRO A 157 1.202 -15.017 -1.991 1.00 70.24 O ATOM 267 CB PRO A 157 2.048 -16.195 0.943 1.00 65.04 C ATOM 268 CG PRO A 157 1.490 -16.660 2.250 1.00 13.04 C ATOM 269 CD PRO A 157 0.001 -16.520 2.157 1.00 70.31 C ATOM 0 HA PRO A 157 1.418 -14.172 0.411 1.00 2.02 H new ATOM 0 HB2 PRO A 157 2.181 -17.028 0.253 1.00 65.04 H new ATOM 0 HB3 PRO A 157 3.026 -15.731 1.075 1.00 65.04 H new ATOM 0 HG2 PRO A 157 1.770 -17.695 2.444 1.00 13.04 H new ATOM 0 HG3 PRO A 157 1.884 -16.064 3.073 1.00 13.04 H new ATOM 0 HD2 PRO A 157 -0.465 -17.417 1.750 1.00 70.31 H new ATOM 0 HD3 PRO A 157 -0.450 -16.341 3.133 1.00 70.31 H new ATOM 277 N LYS A 158 -0.372 -16.339 -1.110 1.00 43.34 N ATOM 278 CA LYS A 158 -0.985 -16.746 -2.336 1.00 61.02 C ATOM 279 C LYS A 158 -1.715 -15.552 -2.953 1.00 0.50 C ATOM 280 O LYS A 158 -1.875 -15.458 -4.160 1.00 51.33 O ATOM 281 CB LYS A 158 -1.969 -17.869 -2.018 1.00 1.14 C ATOM 282 CG LYS A 158 -1.317 -19.062 -1.334 1.00 74.13 C ATOM 283 CD LYS A 158 -2.339 -20.076 -0.870 1.00 70.34 C ATOM 284 CE LYS A 158 -1.685 -21.313 -0.252 1.00 30.01 C ATOM 285 NZ LYS A 158 -0.819 -21.010 0.922 1.00 41.43 N ATOM 0 H LYS A 158 -0.812 -16.752 -0.288 1.00 43.34 H new ATOM 0 HA LYS A 158 -0.240 -17.100 -3.048 1.00 61.02 H new ATOM 0 HB2 LYS A 158 -2.760 -17.479 -1.378 1.00 1.14 H new ATOM 0 HB3 LYS A 158 -2.441 -18.202 -2.942 1.00 1.14 H new ATOM 0 HG2 LYS A 158 -0.620 -19.539 -2.023 1.00 74.13 H new ATOM 0 HG3 LYS A 158 -0.735 -18.717 -0.480 1.00 74.13 H new ATOM 0 HD2 LYS A 158 -3.001 -19.613 -0.138 1.00 70.34 H new ATOM 0 HD3 LYS A 158 -2.958 -20.378 -1.715 1.00 70.34 H new ATOM 0 HE2 LYS A 158 -2.465 -22.011 0.053 1.00 30.01 H new ATOM 0 HE3 LYS A 158 -1.088 -21.815 -1.013 1.00 30.01 H new ATOM 0 HZ1 LYS A 158 -0.547 -21.898 1.391 1.00 41.43 H new ATOM 0 HZ2 LYS A 158 0.036 -20.510 0.603 1.00 41.43 H new ATOM 0 HZ3 LYS A 158 -1.341 -20.410 1.593 1.00 41.43 H new ATOM 299 N ALA A 159 -2.093 -14.618 -2.106 1.00 52.11 N ATOM 300 CA ALA A 159 -2.797 -13.451 -2.529 1.00 11.22 C ATOM 301 C ALA A 159 -1.811 -12.370 -2.864 1.00 51.02 C ATOM 302 O ALA A 159 -1.997 -11.639 -3.830 1.00 23.15 O ATOM 303 CB ALA A 159 -3.779 -12.982 -1.463 1.00 62.23 C ATOM 0 H ALA A 159 -1.914 -14.658 -1.103 1.00 52.11 H new ATOM 0 HA ALA A 159 -3.379 -13.693 -3.418 1.00 11.22 H new ATOM 0 HB1 ALA A 159 -4.300 -12.091 -1.815 1.00 62.23 H new ATOM 0 HB2 ALA A 159 -4.504 -13.771 -1.263 1.00 62.23 H new ATOM 0 HB3 ALA A 159 -3.237 -12.747 -0.547 1.00 62.23 H new ATOM 309 N GLU A 160 -0.722 -12.342 -2.097 1.00 1.11 N ATOM 310 CA GLU A 160 0.369 -11.370 -2.218 1.00 62.25 C ATOM 311 C GLU A 160 0.830 -11.232 -3.661 1.00 20.42 C ATOM 312 O GLU A 160 1.097 -10.135 -4.117 1.00 70.33 O ATOM 313 CB GLU A 160 1.514 -11.774 -1.239 1.00 61.03 C ATOM 314 CG GLU A 160 2.820 -10.957 -1.279 1.00 22.11 C ATOM 315 CD GLU A 160 3.805 -11.436 -2.324 1.00 73.10 C ATOM 316 OE1 GLU A 160 4.060 -12.648 -2.391 1.00 42.14 O ATOM 317 OE2 GLU A 160 4.379 -10.610 -3.061 1.00 3.34 O ATOM 0 H GLU A 160 -0.568 -13.017 -1.348 1.00 1.11 H new ATOM 0 HA GLU A 160 0.019 -10.378 -1.933 1.00 62.25 H new ATOM 0 HB2 GLU A 160 1.119 -11.724 -0.224 1.00 61.03 H new ATOM 0 HB3 GLU A 160 1.766 -12.817 -1.432 1.00 61.03 H new ATOM 0 HG2 GLU A 160 2.579 -9.912 -1.472 1.00 22.11 H new ATOM 0 HG3 GLU A 160 3.295 -10.999 -0.299 1.00 22.11 H new ATOM 324 N THR A 161 0.817 -12.331 -4.382 1.00 34.53 N ATOM 325 CA THR A 161 1.222 -12.353 -5.764 1.00 52.43 C ATOM 326 C THR A 161 0.351 -11.413 -6.623 1.00 25.11 C ATOM 327 O THR A 161 0.866 -10.535 -7.327 1.00 24.25 O ATOM 328 CB THR A 161 1.155 -13.790 -6.304 1.00 33.14 C ATOM 329 OG1 THR A 161 1.854 -14.661 -5.403 1.00 52.10 O ATOM 330 CG2 THR A 161 1.775 -13.890 -7.688 1.00 32.11 C ATOM 0 H THR A 161 0.523 -13.238 -4.021 1.00 34.53 H new ATOM 0 HA THR A 161 2.250 -11.994 -5.823 1.00 52.43 H new ATOM 0 HB THR A 161 0.108 -14.083 -6.381 1.00 33.14 H new ATOM 0 HG1 THR A 161 1.814 -15.580 -5.740 1.00 52.10 H new ATOM 0 HG21 THR A 161 1.712 -14.919 -8.042 1.00 32.11 H new ATOM 0 HG22 THR A 161 1.238 -13.236 -8.375 1.00 32.11 H new ATOM 0 HG23 THR A 161 2.821 -13.586 -7.641 1.00 32.11 H new ATOM 338 N TYR A 162 -0.951 -11.559 -6.530 1.00 61.54 N ATOM 339 CA TYR A 162 -1.825 -10.745 -7.338 1.00 42.13 C ATOM 340 C TYR A 162 -2.142 -9.417 -6.673 1.00 30.22 C ATOM 341 O TYR A 162 -2.489 -8.448 -7.345 1.00 34.51 O ATOM 342 CB TYR A 162 -3.093 -11.492 -7.813 1.00 40.33 C ATOM 343 CG TYR A 162 -3.892 -12.185 -6.729 1.00 11.23 C ATOM 344 CD1 TYR A 162 -4.737 -11.475 -5.886 1.00 24.11 C ATOM 345 CD2 TYR A 162 -3.802 -13.556 -6.564 1.00 4.35 C ATOM 346 CE1 TYR A 162 -5.461 -12.118 -4.906 1.00 20.24 C ATOM 347 CE2 TYR A 162 -4.525 -14.206 -5.594 1.00 11.34 C ATOM 348 CZ TYR A 162 -5.350 -13.488 -4.766 1.00 1.22 C ATOM 349 OH TYR A 162 -6.056 -14.140 -3.784 1.00 34.34 O ATOM 0 H TYR A 162 -1.421 -12.222 -5.914 1.00 61.54 H new ATOM 0 HA TYR A 162 -1.269 -10.517 -8.247 1.00 42.13 H new ATOM 0 HB2 TYR A 162 -3.744 -10.779 -8.319 1.00 40.33 H new ATOM 0 HB3 TYR A 162 -2.798 -12.236 -8.553 1.00 40.33 H new ATOM 0 HD1 TYR A 162 -4.828 -10.405 -6.000 1.00 24.11 H new ATOM 0 HD2 TYR A 162 -3.151 -14.126 -7.210 1.00 4.35 H new ATOM 0 HE1 TYR A 162 -6.111 -11.555 -4.252 1.00 20.24 H new ATOM 0 HE2 TYR A 162 -4.444 -15.277 -5.484 1.00 11.34 H new ATOM 0 HH TYR A 162 -6.846 -13.612 -3.544 1.00 34.34 H new ATOM 359 N VAL A 163 -1.991 -9.368 -5.363 1.00 51.32 N ATOM 360 CA VAL A 163 -2.234 -8.155 -4.606 1.00 35.11 C ATOM 361 C VAL A 163 -1.115 -7.155 -4.835 1.00 62.15 C ATOM 362 O VAL A 163 -1.376 -5.992 -5.032 1.00 2.21 O ATOM 363 CB VAL A 163 -2.440 -8.419 -3.069 1.00 62.43 C ATOM 364 CG1 VAL A 163 -2.545 -7.112 -2.283 1.00 53.05 C ATOM 365 CG2 VAL A 163 -3.699 -9.235 -2.834 1.00 10.22 C ATOM 0 H VAL A 163 -1.698 -10.164 -4.796 1.00 51.32 H new ATOM 0 HA VAL A 163 -3.171 -7.737 -4.974 1.00 35.11 H new ATOM 0 HB VAL A 163 -1.568 -8.971 -2.719 1.00 62.43 H new ATOM 0 HG11 VAL A 163 -2.687 -7.334 -1.225 1.00 53.05 H new ATOM 0 HG12 VAL A 163 -1.630 -6.535 -2.413 1.00 53.05 H new ATOM 0 HG13 VAL A 163 -3.394 -6.534 -2.649 1.00 53.05 H new ATOM 0 HG21 VAL A 163 -3.826 -9.408 -1.765 1.00 10.22 H new ATOM 0 HG22 VAL A 163 -4.562 -8.691 -3.219 1.00 10.22 H new ATOM 0 HG23 VAL A 163 -3.614 -10.192 -3.349 1.00 10.22 H new ATOM 375 N ARG A 164 0.117 -7.630 -4.881 1.00 33.14 N ATOM 376 CA ARG A 164 1.282 -6.765 -5.071 1.00 72.50 C ATOM 377 C ARG A 164 1.187 -6.070 -6.429 1.00 72.15 C ATOM 378 O ARG A 164 1.384 -4.854 -6.537 1.00 71.30 O ATOM 379 CB ARG A 164 2.530 -7.623 -4.975 1.00 12.14 C ATOM 380 CG ARG A 164 3.842 -6.906 -4.772 1.00 45.43 C ATOM 381 CD ARG A 164 4.909 -7.953 -4.557 1.00 74.53 C ATOM 382 NE ARG A 164 6.205 -7.418 -4.154 1.00 65.31 N ATOM 383 CZ ARG A 164 7.106 -8.114 -3.447 1.00 24.45 C ATOM 384 NH1 ARG A 164 6.804 -9.335 -2.979 1.00 10.41 N ATOM 385 NH2 ARG A 164 8.294 -7.583 -3.181 1.00 14.14 N ATOM 0 H ARG A 164 0.344 -8.620 -4.789 1.00 33.14 H new ATOM 0 HA ARG A 164 1.322 -5.991 -4.304 1.00 72.50 H new ATOM 0 HB2 ARG A 164 2.396 -8.324 -4.151 1.00 12.14 H new ATOM 0 HB3 ARG A 164 2.605 -8.214 -5.888 1.00 12.14 H new ATOM 0 HG2 ARG A 164 4.080 -6.290 -5.640 1.00 45.43 H new ATOM 0 HG3 ARG A 164 3.784 -6.237 -3.913 1.00 45.43 H new ATOM 0 HD2 ARG A 164 4.566 -8.653 -3.795 1.00 74.53 H new ATOM 0 HD3 ARG A 164 5.035 -8.521 -5.479 1.00 74.53 H new ATOM 0 HE ARG A 164 6.438 -6.463 -4.425 1.00 65.31 H new ATOM 0 HH11 ARG A 164 5.885 -9.738 -3.161 1.00 10.41 H new ATOM 0 HH12 ARG A 164 7.494 -9.860 -2.442 1.00 10.41 H new ATOM 0 HH21 ARG A 164 8.520 -6.646 -3.515 1.00 14.14 H new ATOM 0 HH22 ARG A 164 8.980 -8.112 -2.643 1.00 14.14 H new ATOM 399 N ALA A 165 0.797 -6.840 -7.438 1.00 71.14 N ATOM 400 CA ALA A 165 0.617 -6.320 -8.782 1.00 20.24 C ATOM 401 C ALA A 165 -0.597 -5.405 -8.840 1.00 64.32 C ATOM 402 O ALA A 165 -0.637 -4.439 -9.604 1.00 3.40 O ATOM 403 CB ALA A 165 0.482 -7.456 -9.783 1.00 4.35 C ATOM 0 H ALA A 165 0.598 -7.836 -7.346 1.00 71.14 H new ATOM 0 HA ALA A 165 1.499 -5.737 -9.047 1.00 20.24 H new ATOM 0 HB1 ALA A 165 0.348 -7.045 -10.784 1.00 4.35 H new ATOM 0 HB2 ALA A 165 1.382 -8.070 -9.760 1.00 4.35 H new ATOM 0 HB3 ALA A 165 -0.381 -8.069 -9.524 1.00 4.35 H new ATOM 409 N HIS A 166 -1.577 -5.697 -8.018 1.00 32.00 N ATOM 410 CA HIS A 166 -2.763 -4.899 -7.972 1.00 51.11 C ATOM 411 C HIS A 166 -2.452 -3.568 -7.310 1.00 40.51 C ATOM 412 O HIS A 166 -2.868 -2.534 -7.795 1.00 53.21 O ATOM 413 CB HIS A 166 -3.913 -5.646 -7.267 1.00 62.33 C ATOM 414 CG HIS A 166 -5.249 -4.971 -7.357 1.00 22.45 C ATOM 415 ND1 HIS A 166 -6.241 -5.325 -8.250 1.00 41.53 N ATOM 416 CD2 HIS A 166 -5.747 -3.954 -6.637 1.00 4.43 C ATOM 417 CE1 HIS A 166 -7.281 -4.518 -8.039 1.00 62.13 C ATOM 418 NE2 HIS A 166 -7.028 -3.669 -7.067 1.00 22.53 N ATOM 0 H HIS A 166 -1.569 -6.486 -7.372 1.00 32.00 H new ATOM 0 HA HIS A 166 -3.103 -4.703 -8.989 1.00 51.11 H new ATOM 0 HB2 HIS A 166 -3.996 -6.644 -7.696 1.00 62.33 H new ATOM 0 HB3 HIS A 166 -3.655 -5.772 -6.215 1.00 62.33 H new ATOM 0 HD2 HIS A 166 -5.226 -3.438 -5.844 1.00 4.43 H new ATOM 0 HE1 HIS A 166 -8.208 -4.556 -8.592 1.00 62.13 H new ATOM 0 HE2 HIS A 166 -7.651 -2.947 -6.705 1.00 22.53 H new ATOM 426 N ILE A 167 -1.677 -3.607 -6.235 1.00 3.01 N ATOM 427 CA ILE A 167 -1.276 -2.406 -5.518 1.00 24.45 C ATOM 428 C ILE A 167 -0.526 -1.467 -6.440 1.00 21.25 C ATOM 429 O ILE A 167 -0.862 -0.288 -6.524 1.00 60.45 O ATOM 430 CB ILE A 167 -0.399 -2.713 -4.255 1.00 22.41 C ATOM 431 CG1 ILE A 167 -1.207 -3.497 -3.208 1.00 11.10 C ATOM 432 CG2 ILE A 167 0.157 -1.420 -3.637 1.00 60.42 C ATOM 433 CD1 ILE A 167 -0.410 -3.900 -1.979 1.00 34.11 C ATOM 0 H ILE A 167 -1.309 -4.471 -5.836 1.00 3.01 H new ATOM 0 HA ILE A 167 -2.194 -1.933 -5.169 1.00 24.45 H new ATOM 0 HB ILE A 167 0.442 -3.326 -4.578 1.00 22.41 H new ATOM 0 HG12 ILE A 167 -2.057 -2.891 -2.893 1.00 11.10 H new ATOM 0 HG13 ILE A 167 -1.611 -4.395 -3.675 1.00 11.10 H new ATOM 0 HG21 ILE A 167 0.761 -1.665 -2.763 1.00 60.42 H new ATOM 0 HG22 ILE A 167 0.774 -0.902 -4.371 1.00 60.42 H new ATOM 0 HG23 ILE A 167 -0.669 -0.775 -3.338 1.00 60.42 H new ATOM 0 HD11 ILE A 167 -1.054 -4.448 -1.291 1.00 34.11 H new ATOM 0 HD12 ILE A 167 0.425 -4.534 -2.278 1.00 34.11 H new ATOM 0 HD13 ILE A 167 -0.028 -3.007 -1.484 1.00 34.11 H new ATOM 445 N VAL A 168 0.435 -1.990 -7.183 1.00 34.32 N ATOM 446 CA VAL A 168 1.248 -1.146 -8.043 1.00 71.04 C ATOM 447 C VAL A 168 0.449 -0.570 -9.217 1.00 62.12 C ATOM 448 O VAL A 168 0.760 0.513 -9.717 1.00 72.23 O ATOM 449 CB VAL A 168 2.545 -1.847 -8.541 1.00 71.54 C ATOM 450 CG1 VAL A 168 3.403 -2.314 -7.377 1.00 73.54 C ATOM 451 CG2 VAL A 168 2.242 -3.004 -9.475 1.00 22.23 C ATOM 0 H VAL A 168 0.670 -2.982 -7.209 1.00 34.32 H new ATOM 0 HA VAL A 168 1.562 -0.313 -7.414 1.00 71.04 H new ATOM 0 HB VAL A 168 3.107 -1.104 -9.106 1.00 71.54 H new ATOM 0 HG11 VAL A 168 4.301 -2.799 -7.759 1.00 73.54 H new ATOM 0 HG12 VAL A 168 3.686 -1.457 -6.766 1.00 73.54 H new ATOM 0 HG13 VAL A 168 2.838 -3.022 -6.770 1.00 73.54 H new ATOM 0 HG21 VAL A 168 3.175 -3.465 -9.798 1.00 22.23 H new ATOM 0 HG22 VAL A 168 1.634 -3.743 -8.953 1.00 22.23 H new ATOM 0 HG23 VAL A 168 1.698 -2.636 -10.345 1.00 22.23 H new ATOM 461 N GLN A 169 -0.568 -1.277 -9.642 1.00 4.11 N ATOM 462 CA GLN A 169 -1.419 -0.807 -10.703 1.00 43.11 C ATOM 463 C GLN A 169 -2.449 0.182 -10.169 1.00 44.25 C ATOM 464 O GLN A 169 -2.722 1.222 -10.795 1.00 22.11 O ATOM 465 CB GLN A 169 -2.072 -1.992 -11.419 1.00 74.25 C ATOM 466 CG GLN A 169 -3.050 -1.626 -12.525 1.00 45.44 C ATOM 467 CD GLN A 169 -3.542 -2.849 -13.273 1.00 3.41 C ATOM 468 OE1 GLN A 169 -2.823 -3.848 -13.408 1.00 3.23 O ATOM 469 NE2 GLN A 169 -4.758 -2.809 -13.733 1.00 12.41 N ATOM 0 H GLN A 169 -0.827 -2.188 -9.264 1.00 4.11 H new ATOM 0 HA GLN A 169 -0.815 -0.272 -11.436 1.00 43.11 H new ATOM 0 HB2 GLN A 169 -1.286 -2.616 -11.844 1.00 74.25 H new ATOM 0 HB3 GLN A 169 -2.596 -2.598 -10.680 1.00 74.25 H new ATOM 0 HG2 GLN A 169 -3.901 -1.096 -12.096 1.00 45.44 H new ATOM 0 HG3 GLN A 169 -2.568 -0.943 -13.224 1.00 45.44 H new ATOM 0 HE21 GLN A 169 -5.324 -1.970 -13.605 1.00 12.41 H new ATOM 0 HE22 GLN A 169 -5.145 -3.616 -14.222 1.00 12.41 H new ATOM 478 N ARG A 170 -2.976 -0.116 -9.000 1.00 44.31 N ATOM 479 CA ARG A 170 -3.985 0.705 -8.363 1.00 65.31 C ATOM 480 C ARG A 170 -3.403 2.056 -8.015 1.00 64.31 C ATOM 481 O ARG A 170 -3.998 3.082 -8.305 1.00 45.41 O ATOM 482 CB ARG A 170 -4.529 0.013 -7.093 1.00 25.13 C ATOM 483 CG ARG A 170 -5.731 0.686 -6.413 1.00 42.41 C ATOM 484 CD ARG A 170 -7.051 0.463 -7.168 1.00 34.43 C ATOM 485 NE ARG A 170 -7.050 1.042 -8.515 1.00 54.25 N ATOM 486 CZ ARG A 170 -7.316 0.345 -9.634 1.00 14.51 C ATOM 487 NH1 ARG A 170 -7.861 -0.873 -9.552 1.00 50.24 N ATOM 488 NH2 ARG A 170 -7.114 0.905 -10.825 1.00 23.22 N ATOM 0 H ARG A 170 -2.714 -0.941 -8.461 1.00 44.31 H new ATOM 0 HA ARG A 170 -4.813 0.842 -9.058 1.00 65.31 H new ATOM 0 HB2 ARG A 170 -4.810 -1.007 -7.353 1.00 25.13 H new ATOM 0 HB3 ARG A 170 -3.719 -0.055 -6.367 1.00 25.13 H new ATOM 0 HG2 ARG A 170 -5.830 0.301 -5.398 1.00 42.41 H new ATOM 0 HG3 ARG A 170 -5.542 1.756 -6.331 1.00 42.41 H new ATOM 0 HD2 ARG A 170 -7.245 -0.607 -7.240 1.00 34.43 H new ATOM 0 HD3 ARG A 170 -7.869 0.897 -6.593 1.00 34.43 H new ATOM 0 HE ARG A 170 -6.834 2.034 -8.609 1.00 54.25 H new ATOM 0 HH11 ARG A 170 -8.076 -1.275 -8.640 1.00 50.24 H new ATOM 0 HH12 ARG A 170 -8.062 -1.400 -10.402 1.00 50.24 H new ATOM 0 HH21 ARG A 170 -6.759 1.859 -10.886 1.00 23.22 H new ATOM 0 HH22 ARG A 170 -7.314 0.380 -11.676 1.00 23.22 H new ATOM 502 N THR A 171 -2.215 2.053 -7.467 1.00 40.14 N ATOM 503 CA THR A 171 -1.585 3.276 -7.056 1.00 32.25 C ATOM 504 C THR A 171 -1.218 4.133 -8.264 1.00 54.33 C ATOM 505 O THR A 171 -1.451 5.344 -8.275 1.00 53.33 O ATOM 506 CB THR A 171 -0.359 2.972 -6.193 1.00 4.54 C ATOM 507 OG1 THR A 171 0.428 1.977 -6.848 1.00 44.32 O ATOM 508 CG2 THR A 171 -0.791 2.463 -4.826 1.00 32.24 C ATOM 0 H THR A 171 -1.664 1.212 -7.296 1.00 40.14 H new ATOM 0 HA THR A 171 -2.291 3.848 -6.454 1.00 32.25 H new ATOM 0 HB THR A 171 0.225 3.882 -6.057 1.00 4.54 H new ATOM 0 HG1 THR A 171 0.177 1.090 -6.515 1.00 44.32 H new ATOM 0 HG21 THR A 171 0.091 2.250 -4.222 1.00 32.24 H new ATOM 0 HG22 THR A 171 -1.397 3.222 -4.330 1.00 32.24 H new ATOM 0 HG23 THR A 171 -1.377 1.552 -4.946 1.00 32.24 H new ATOM 516 N SER A 172 -0.745 3.471 -9.307 1.00 51.45 N ATOM 517 CA SER A 172 -0.347 4.125 -10.529 1.00 72.11 C ATOM 518 C SER A 172 -1.551 4.835 -11.163 1.00 4.21 C ATOM 519 O SER A 172 -1.424 5.935 -11.706 1.00 4.51 O ATOM 520 CB SER A 172 0.256 3.080 -11.489 1.00 42.55 C ATOM 521 OG SER A 172 0.685 3.647 -12.721 1.00 42.02 O ATOM 0 H SER A 172 -0.628 2.458 -9.323 1.00 51.45 H new ATOM 0 HA SER A 172 0.409 4.881 -10.316 1.00 72.11 H new ATOM 0 HB2 SER A 172 1.102 2.593 -11.004 1.00 42.55 H new ATOM 0 HB3 SER A 172 -0.485 2.306 -11.689 1.00 42.55 H new ATOM 0 HG SER A 172 1.060 2.944 -13.292 1.00 42.02 H new ATOM 527 N SER A 173 -2.715 4.227 -11.038 1.00 25.13 N ATOM 528 CA SER A 173 -3.917 4.771 -11.605 1.00 62.12 C ATOM 529 C SER A 173 -4.500 5.920 -10.757 1.00 62.15 C ATOM 530 O SER A 173 -4.986 6.916 -11.288 1.00 13.33 O ATOM 531 CB SER A 173 -4.954 3.662 -11.733 1.00 70.15 C ATOM 532 OG SER A 173 -4.446 2.549 -12.469 1.00 33.52 O ATOM 0 H SER A 173 -2.846 3.346 -10.541 1.00 25.13 H new ATOM 0 HA SER A 173 -3.665 5.182 -12.583 1.00 62.12 H new ATOM 0 HB2 SER A 173 -5.260 3.333 -10.740 1.00 70.15 H new ATOM 0 HB3 SER A 173 -5.844 4.051 -12.228 1.00 70.15 H new ATOM 0 HG SER A 173 -3.884 1.999 -11.884 1.00 33.52 H new ATOM 538 N ASN A 174 -4.417 5.792 -9.454 1.00 14.43 N ATOM 539 CA ASN A 174 -5.112 6.681 -8.554 1.00 11.42 C ATOM 540 C ASN A 174 -4.225 7.765 -7.956 1.00 24.23 C ATOM 541 O ASN A 174 -4.335 8.082 -6.772 1.00 21.25 O ATOM 542 CB ASN A 174 -5.877 5.895 -7.478 1.00 60.54 C ATOM 543 CG ASN A 174 -6.988 5.017 -8.065 1.00 12.40 C ATOM 544 OD1 ASN A 174 -6.772 3.841 -8.400 1.00 0.55 O ATOM 545 ND2 ASN A 174 -8.170 5.562 -8.203 1.00 0.14 N ATOM 0 H ASN A 174 -3.867 5.070 -8.989 1.00 14.43 H new ATOM 0 HA ASN A 174 -5.842 7.217 -9.160 1.00 11.42 H new ATOM 0 HB2 ASN A 174 -5.177 5.268 -6.926 1.00 60.54 H new ATOM 0 HB3 ASN A 174 -6.311 6.594 -6.763 1.00 60.54 H new ATOM 0 HD21 ASN A 174 -8.940 5.018 -8.593 1.00 0.14 H new ATOM 0 HD22 ASN A 174 -8.321 6.530 -7.920 1.00 0.14 H new ATOM 552 N ASP A 175 -3.346 8.318 -8.790 1.00 43.55 N ATOM 553 CA ASP A 175 -2.495 9.520 -8.439 1.00 60.23 C ATOM 554 C ASP A 175 -1.452 9.216 -7.388 1.00 13.21 C ATOM 555 O ASP A 175 -1.015 10.115 -6.644 1.00 51.24 O ATOM 556 CB ASP A 175 -3.346 10.718 -7.936 1.00 31.02 C ATOM 557 CG ASP A 175 -4.173 11.391 -8.988 1.00 55.23 C ATOM 558 OD1 ASP A 175 -5.313 10.950 -9.241 1.00 23.32 O ATOM 559 OD2 ASP A 175 -3.714 12.409 -9.557 1.00 33.32 O ATOM 0 H ASP A 175 -3.182 7.967 -9.734 1.00 43.55 H new ATOM 0 HA ASP A 175 -1.997 9.785 -9.372 1.00 60.23 H new ATOM 0 HB2 ASP A 175 -4.008 10.367 -7.144 1.00 31.02 H new ATOM 0 HB3 ASP A 175 -2.679 11.457 -7.491 1.00 31.02 H new ATOM 564 N ILE A 176 -1.018 8.003 -7.330 1.00 72.51 N ATOM 565 CA ILE A 176 -0.084 7.622 -6.326 1.00 70.55 C ATOM 566 C ILE A 176 1.267 7.218 -6.930 1.00 43.52 C ATOM 567 O ILE A 176 1.338 6.556 -7.965 1.00 63.53 O ATOM 568 CB ILE A 176 -0.657 6.482 -5.451 1.00 0.24 C ATOM 569 CG1 ILE A 176 -1.950 6.935 -4.756 1.00 45.14 C ATOM 570 CG2 ILE A 176 0.354 6.038 -4.433 1.00 11.32 C ATOM 571 CD1 ILE A 176 -2.611 5.866 -3.913 1.00 41.01 C ATOM 0 H ILE A 176 -1.296 7.257 -7.967 1.00 72.51 H new ATOM 0 HA ILE A 176 0.089 8.492 -5.692 1.00 70.55 H new ATOM 0 HB ILE A 176 -0.889 5.637 -6.099 1.00 0.24 H new ATOM 0 HG12 ILE A 176 -1.727 7.794 -4.123 1.00 45.14 H new ATOM 0 HG13 ILE A 176 -2.657 7.273 -5.514 1.00 45.14 H new ATOM 0 HG21 ILE A 176 -0.068 5.236 -3.827 1.00 11.32 H new ATOM 0 HG22 ILE A 176 1.248 5.677 -4.941 1.00 11.32 H new ATOM 0 HG23 ILE A 176 0.616 6.878 -3.790 1.00 11.32 H new ATOM 0 HD11 ILE A 176 -3.516 6.269 -3.459 1.00 41.01 H new ATOM 0 HD12 ILE A 176 -2.869 5.014 -4.542 1.00 41.01 H new ATOM 0 HD13 ILE A 176 -1.924 5.544 -3.130 1.00 41.01 H new ATOM 583 N THR A 177 2.309 7.680 -6.307 1.00 44.44 N ATOM 584 CA THR A 177 3.655 7.331 -6.632 1.00 74.31 C ATOM 585 C THR A 177 4.153 6.410 -5.507 1.00 12.11 C ATOM 586 O THR A 177 3.871 6.663 -4.334 1.00 51.21 O ATOM 587 CB THR A 177 4.506 8.616 -6.698 1.00 42.32 C ATOM 588 OG1 THR A 177 3.878 9.537 -7.613 1.00 13.40 O ATOM 589 CG2 THR A 177 5.920 8.317 -7.176 1.00 31.13 C ATOM 0 H THR A 177 2.240 8.336 -5.529 1.00 44.44 H new ATOM 0 HA THR A 177 3.725 6.828 -7.596 1.00 74.31 H new ATOM 0 HB THR A 177 4.570 9.047 -5.699 1.00 42.32 H new ATOM 0 HG1 THR A 177 4.408 10.360 -7.664 1.00 13.40 H new ATOM 0 HG21 THR A 177 6.495 9.242 -7.212 1.00 31.13 H new ATOM 0 HG22 THR A 177 6.397 7.620 -6.487 1.00 31.13 H new ATOM 0 HG23 THR A 177 5.882 7.875 -8.171 1.00 31.13 H new ATOM 597 N LEU A 178 4.832 5.350 -5.838 1.00 2.22 N ATOM 598 CA LEU A 178 5.247 4.399 -4.825 1.00 4.21 C ATOM 599 C LEU A 178 6.663 4.657 -4.368 1.00 30.21 C ATOM 600 O LEU A 178 7.552 4.973 -5.181 1.00 4.41 O ATOM 601 CB LEU A 178 5.160 2.936 -5.316 1.00 13.11 C ATOM 602 CG LEU A 178 3.796 2.399 -5.772 1.00 72.01 C ATOM 603 CD1 LEU A 178 3.420 2.898 -7.161 1.00 20.53 C ATOM 604 CD2 LEU A 178 3.785 0.887 -5.718 1.00 41.42 C ATOM 0 H LEU A 178 5.112 5.116 -6.790 1.00 2.22 H new ATOM 0 HA LEU A 178 4.555 4.538 -3.995 1.00 4.21 H new ATOM 0 HB2 LEU A 178 5.856 2.823 -6.147 1.00 13.11 H new ATOM 0 HB3 LEU A 178 5.517 2.294 -4.511 1.00 13.11 H new ATOM 0 HG LEU A 178 3.042 2.781 -5.084 1.00 72.01 H new ATOM 0 HD11 LEU A 178 2.448 2.493 -7.442 1.00 20.53 H new ATOM 0 HD12 LEU A 178 3.372 3.987 -7.156 1.00 20.53 H new ATOM 0 HD13 LEU A 178 4.171 2.572 -7.880 1.00 20.53 H new ATOM 0 HD21 LEU A 178 2.812 0.518 -6.044 1.00 41.42 H new ATOM 0 HD22 LEU A 178 4.561 0.494 -6.375 1.00 41.42 H new ATOM 0 HD23 LEU A 178 3.974 0.558 -4.696 1.00 41.42 H new ATOM 616 N ARG A 179 6.867 4.535 -3.077 1.00 50.03 N ATOM 617 CA ARG A 179 8.187 4.578 -2.492 1.00 43.23 C ATOM 618 C ARG A 179 8.746 3.184 -2.525 1.00 20.33 C ATOM 619 O ARG A 179 9.811 2.932 -3.086 1.00 14.30 O ATOM 620 CB ARG A 179 8.125 5.084 -1.051 1.00 1.13 C ATOM 621 CG ARG A 179 7.886 6.579 -0.893 1.00 44.25 C ATOM 622 CD ARG A 179 9.194 7.374 -0.946 1.00 1.31 C ATOM 623 NE ARG A 179 9.905 7.246 -2.222 1.00 42.04 N ATOM 624 CZ ARG A 179 11.237 7.163 -2.351 1.00 74.01 C ATOM 625 NH1 ARG A 179 12.022 7.187 -1.271 1.00 70.43 N ATOM 626 NH2 ARG A 179 11.782 7.067 -3.559 1.00 51.04 N ATOM 0 H ARG A 179 6.117 4.402 -2.399 1.00 50.03 H new ATOM 0 HA ARG A 179 8.822 5.262 -3.055 1.00 43.23 H new ATOM 0 HB2 ARG A 179 7.331 4.549 -0.530 1.00 1.13 H new ATOM 0 HB3 ARG A 179 9.061 4.828 -0.554 1.00 1.13 H new ATOM 0 HG2 ARG A 179 7.218 6.925 -1.682 1.00 44.25 H new ATOM 0 HG3 ARG A 179 7.384 6.768 0.056 1.00 44.25 H new ATOM 0 HD2 ARG A 179 8.978 8.427 -0.764 1.00 1.31 H new ATOM 0 HD3 ARG A 179 9.847 7.038 -0.140 1.00 1.31 H new ATOM 0 HE ARG A 179 9.345 7.218 -3.074 1.00 42.04 H new ATOM 0 HH11 ARG A 179 11.609 7.269 -0.342 1.00 70.43 H new ATOM 0 HH12 ARG A 179 13.035 7.123 -1.375 1.00 70.43 H new ATOM 0 HH21 ARG A 179 11.187 7.057 -4.388 1.00 51.04 H new ATOM 0 HH22 ARG A 179 12.795 7.004 -3.658 1.00 51.04 H new ATOM 640 N GLY A 180 7.985 2.286 -1.977 1.00 35.14 N ATOM 641 CA GLY A 180 8.345 0.900 -1.937 1.00 34.32 C ATOM 642 C GLY A 180 7.308 0.107 -1.190 1.00 5.12 C ATOM 643 O GLY A 180 6.392 0.690 -0.580 1.00 31.40 O ATOM 0 H GLY A 180 7.087 2.496 -1.540 1.00 35.14 H new ATOM 0 HA2 GLY A 180 8.444 0.515 -2.952 1.00 34.32 H new ATOM 0 HA3 GLY A 180 9.316 0.784 -1.456 1.00 34.32 H new ATOM 647 N ILE A 181 7.424 -1.191 -1.238 1.00 32.12 N ATOM 648 CA ILE A 181 6.505 -2.072 -0.563 1.00 42.44 C ATOM 649 C ILE A 181 7.271 -2.927 0.428 1.00 52.43 C ATOM 650 O ILE A 181 8.135 -3.718 0.043 1.00 61.21 O ATOM 651 CB ILE A 181 5.725 -2.990 -1.559 1.00 72.54 C ATOM 652 CG1 ILE A 181 4.937 -2.140 -2.579 1.00 10.55 C ATOM 653 CG2 ILE A 181 4.774 -3.926 -0.798 1.00 45.43 C ATOM 654 CD1 ILE A 181 4.198 -2.950 -3.628 1.00 42.34 C ATOM 0 H ILE A 181 8.163 -1.673 -1.749 1.00 32.12 H new ATOM 0 HA ILE A 181 5.769 -1.455 -0.046 1.00 42.44 H new ATOM 0 HB ILE A 181 6.450 -3.597 -2.101 1.00 72.54 H new ATOM 0 HG12 ILE A 181 4.218 -1.522 -2.041 1.00 10.55 H new ATOM 0 HG13 ILE A 181 5.628 -1.462 -3.080 1.00 10.55 H new ATOM 0 HG21 ILE A 181 4.240 -4.557 -1.508 1.00 45.43 H new ATOM 0 HG22 ILE A 181 5.349 -4.553 -0.116 1.00 45.43 H new ATOM 0 HG23 ILE A 181 4.058 -3.333 -0.229 1.00 45.43 H new ATOM 0 HD11 ILE A 181 3.671 -2.276 -4.304 1.00 42.34 H new ATOM 0 HD12 ILE A 181 4.911 -3.548 -4.195 1.00 42.34 H new ATOM 0 HD13 ILE A 181 3.480 -3.609 -3.140 1.00 42.34 H new ATOM 666 N ARG A 182 6.967 -2.764 1.681 1.00 53.34 N ATOM 667 CA ARG A 182 7.596 -3.514 2.726 1.00 1.41 C ATOM 668 C ARG A 182 6.699 -4.690 3.024 1.00 65.13 C ATOM 669 O ARG A 182 5.595 -4.529 3.500 1.00 5.24 O ATOM 670 CB ARG A 182 7.781 -2.613 3.955 1.00 65.13 C ATOM 671 CG ARG A 182 8.440 -3.263 5.161 1.00 62.15 C ATOM 672 CD ARG A 182 8.621 -2.234 6.264 1.00 71.12 C ATOM 673 NE ARG A 182 9.211 -2.791 7.489 1.00 73.15 N ATOM 674 CZ ARG A 182 9.977 -2.095 8.350 1.00 65.33 C ATOM 675 NH1 ARG A 182 10.359 -0.851 8.058 1.00 50.32 N ATOM 676 NH2 ARG A 182 10.372 -2.649 9.489 1.00 64.40 N ATOM 0 H ARG A 182 6.267 -2.099 2.010 1.00 53.34 H new ATOM 0 HA ARG A 182 8.584 -3.872 2.436 1.00 1.41 H new ATOM 0 HB2 ARG A 182 8.377 -1.749 3.662 1.00 65.13 H new ATOM 0 HB3 ARG A 182 6.803 -2.238 4.257 1.00 65.13 H new ATOM 0 HG2 ARG A 182 7.828 -4.090 5.520 1.00 62.15 H new ATOM 0 HG3 ARG A 182 9.406 -3.681 4.878 1.00 62.15 H new ATOM 0 HD2 ARG A 182 9.256 -1.427 5.898 1.00 71.12 H new ATOM 0 HD3 ARG A 182 7.653 -1.794 6.503 1.00 71.12 H new ATOM 0 HE ARG A 182 9.028 -3.772 7.701 1.00 73.15 H new ATOM 0 HH11 ARG A 182 10.071 -0.422 7.179 1.00 50.32 H new ATOM 0 HH12 ARG A 182 10.939 -0.328 8.714 1.00 50.32 H new ATOM 0 HH21 ARG A 182 10.095 -3.605 9.714 1.00 64.40 H new ATOM 0 HH22 ARG A 182 10.952 -2.119 10.139 1.00 64.40 H new ATOM 690 N THR A 183 7.159 -5.843 2.717 1.00 22.23 N ATOM 691 CA THR A 183 6.366 -7.033 2.821 1.00 2.11 C ATOM 692 C THR A 183 7.056 -8.055 3.698 1.00 3.20 C ATOM 693 O THR A 183 8.270 -8.273 3.586 1.00 11.42 O ATOM 694 CB THR A 183 6.052 -7.593 1.388 1.00 11.12 C ATOM 695 OG1 THR A 183 5.547 -8.930 1.428 1.00 20.33 O ATOM 696 CG2 THR A 183 7.269 -7.518 0.473 1.00 70.10 C ATOM 0 H THR A 183 8.109 -6.002 2.380 1.00 22.23 H new ATOM 0 HA THR A 183 5.415 -6.795 3.298 1.00 2.11 H new ATOM 0 HB THR A 183 5.272 -6.953 0.976 1.00 11.12 H new ATOM 0 HG1 THR A 183 5.364 -9.238 0.516 1.00 20.33 H new ATOM 0 HG21 THR A 183 7.011 -7.915 -0.509 1.00 70.10 H new ATOM 0 HG22 THR A 183 7.586 -6.480 0.373 1.00 70.10 H new ATOM 0 HG23 THR A 183 8.082 -8.106 0.900 1.00 70.10 H new ATOM 704 N GLY A 184 6.308 -8.621 4.602 1.00 43.53 N ATOM 705 CA GLY A 184 6.847 -9.604 5.503 1.00 42.20 C ATOM 706 C GLY A 184 5.829 -10.662 5.852 1.00 62.13 C ATOM 707 O GLY A 184 4.634 -10.366 5.888 1.00 63.52 O ATOM 0 H GLY A 184 5.317 -8.418 4.736 1.00 43.53 H new ATOM 0 HA2 GLY A 184 7.719 -10.074 5.048 1.00 42.20 H new ATOM 0 HA3 GLY A 184 7.188 -9.113 6.414 1.00 42.20 H new ATOM 711 N PRO A 185 6.251 -11.912 6.086 1.00 5.22 N ATOM 712 CA PRO A 185 5.348 -12.981 6.505 1.00 1.11 C ATOM 713 C PRO A 185 4.763 -12.680 7.888 1.00 42.54 C ATOM 714 O PRO A 185 5.459 -12.154 8.771 1.00 33.25 O ATOM 715 CB PRO A 185 6.251 -14.229 6.537 1.00 40.01 C ATOM 716 CG PRO A 185 7.632 -13.697 6.677 1.00 21.20 C ATOM 717 CD PRO A 185 7.645 -12.383 5.960 1.00 71.42 C ATOM 0 HA PRO A 185 4.492 -13.104 5.842 1.00 1.11 H new ATOM 0 HB2 PRO A 185 5.993 -14.882 7.370 1.00 40.01 H new ATOM 0 HB3 PRO A 185 6.145 -14.817 5.626 1.00 40.01 H new ATOM 0 HG2 PRO A 185 7.896 -13.571 7.727 1.00 21.20 H new ATOM 0 HG3 PRO A 185 8.360 -14.384 6.245 1.00 21.20 H new ATOM 0 HD2 PRO A 185 8.348 -11.684 6.414 1.00 71.42 H new ATOM 0 HD3 PRO A 185 7.938 -12.497 4.916 1.00 71.42 H new ATOM 725 N ALA A 186 3.498 -12.966 8.075 1.00 64.01 N ATOM 726 CA ALA A 186 2.850 -12.671 9.336 1.00 61.45 C ATOM 727 C ALA A 186 2.690 -13.926 10.191 1.00 12.34 C ATOM 728 O ALA A 186 2.108 -13.881 11.265 1.00 12.00 O ATOM 729 CB ALA A 186 1.518 -11.966 9.106 1.00 23.44 C ATOM 0 H ALA A 186 2.896 -13.401 7.376 1.00 64.01 H new ATOM 0 HA ALA A 186 3.492 -11.990 9.894 1.00 61.45 H new ATOM 0 HB1 ALA A 186 1.048 -11.754 10.066 1.00 23.44 H new ATOM 0 HB2 ALA A 186 1.688 -11.032 8.571 1.00 23.44 H new ATOM 0 HB3 ALA A 186 0.864 -12.608 8.516 1.00 23.44 H new ATOM 735 N GLY A 187 3.203 -15.039 9.708 1.00 4.12 N ATOM 736 CA GLY A 187 3.184 -16.236 10.477 1.00 23.02 C ATOM 737 C GLY A 187 2.453 -17.382 9.837 1.00 11.43 C ATOM 738 O GLY A 187 3.054 -18.169 9.105 1.00 40.35 O ATOM 0 H GLY A 187 3.634 -15.125 8.788 1.00 4.12 H new ATOM 0 HA2 GLY A 187 4.212 -16.542 10.673 1.00 23.02 H new ATOM 0 HA3 GLY A 187 2.725 -16.024 11.443 1.00 23.02 H new ATOM 742 N ASP A 188 1.161 -17.452 10.099 1.00 70.30 N ATOM 743 CA ASP A 188 0.275 -18.563 9.675 1.00 51.43 C ATOM 744 C ASP A 188 0.379 -18.892 8.196 1.00 53.40 C ATOM 745 O ASP A 188 1.093 -19.814 7.800 1.00 52.54 O ATOM 746 CB ASP A 188 -1.182 -18.264 10.040 1.00 42.43 C ATOM 747 CG ASP A 188 -1.464 -18.334 11.523 1.00 4.22 C ATOM 748 OD1 ASP A 188 -0.893 -17.539 12.302 1.00 24.33 O ATOM 749 OD2 ASP A 188 -2.266 -19.180 11.943 1.00 72.21 O ATOM 0 H ASP A 188 0.670 -16.729 10.624 1.00 70.30 H new ATOM 0 HA ASP A 188 0.620 -19.443 10.218 1.00 51.43 H new ATOM 0 HB2 ASP A 188 -1.442 -17.270 9.676 1.00 42.43 H new ATOM 0 HB3 ASP A 188 -1.829 -18.972 9.522 1.00 42.43 H new ATOM 754 N ASP A 189 -0.308 -18.138 7.400 1.00 24.44 N ATOM 755 CA ASP A 189 -0.295 -18.280 5.953 1.00 14.30 C ATOM 756 C ASP A 189 -0.736 -16.973 5.416 1.00 25.23 C ATOM 757 O ASP A 189 -1.823 -16.814 4.844 1.00 13.35 O ATOM 758 CB ASP A 189 -1.184 -19.427 5.420 1.00 53.23 C ATOM 759 CG ASP A 189 -0.940 -19.736 3.929 1.00 41.02 C ATOM 760 OD1 ASP A 189 0.132 -20.267 3.593 1.00 43.15 O ATOM 761 OD2 ASP A 189 -1.833 -19.499 3.067 1.00 22.10 O ATOM 0 H ASP A 189 -0.912 -17.385 7.730 1.00 24.44 H new ATOM 0 HA ASP A 189 0.709 -18.552 5.626 1.00 14.30 H new ATOM 0 HB2 ASP A 189 -0.998 -20.326 6.007 1.00 53.23 H new ATOM 0 HB3 ASP A 189 -2.232 -19.164 5.564 1.00 53.23 H new ATOM 766 N ASN A 190 0.060 -16.010 5.730 1.00 32.30 N ATOM 767 CA ASN A 190 -0.165 -14.644 5.378 1.00 23.23 C ATOM 768 C ASN A 190 1.064 -13.848 5.393 1.00 11.00 C ATOM 769 O ASN A 190 1.996 -14.111 6.145 1.00 43.33 O ATOM 770 CB ASN A 190 -1.241 -13.937 6.210 1.00 62.31 C ATOM 771 CG ASN A 190 -1.302 -14.266 7.706 1.00 31.44 C ATOM 772 OD1 ASN A 190 -2.364 -14.218 8.302 1.00 54.41 O ATOM 773 ND2 ASN A 190 -0.194 -14.601 8.317 1.00 0.12 N ATOM 0 H ASN A 190 0.920 -16.154 6.259 1.00 32.30 H new ATOM 0 HA ASN A 190 -0.542 -14.706 4.357 1.00 23.23 H new ATOM 0 HB2 ASN A 190 -1.095 -12.862 6.107 1.00 62.31 H new ATOM 0 HB3 ASN A 190 -2.212 -14.170 5.773 1.00 62.31 H new ATOM 0 HD21 ASN A 190 -0.209 -14.828 9.311 1.00 0.12 H new ATOM 0 HD22 ASN A 190 0.684 -14.635 7.799 1.00 0.12 H new ATOM 780 N ILE A 191 1.022 -12.857 4.615 1.00 11.24 N ATOM 781 CA ILE A 191 2.085 -11.936 4.430 1.00 63.22 C ATOM 782 C ILE A 191 1.473 -10.545 4.500 1.00 35.13 C ATOM 783 O ILE A 191 0.353 -10.324 4.009 1.00 41.21 O ATOM 784 CB ILE A 191 2.804 -12.175 3.046 1.00 31.23 C ATOM 785 CG1 ILE A 191 3.915 -13.229 3.181 1.00 12.31 C ATOM 786 CG2 ILE A 191 3.382 -10.889 2.476 1.00 2.32 C ATOM 787 CD1 ILE A 191 4.642 -13.541 1.884 1.00 2.43 C ATOM 0 H ILE A 191 0.202 -12.640 4.049 1.00 11.24 H new ATOM 0 HA ILE A 191 2.848 -12.061 5.198 1.00 63.22 H new ATOM 0 HB ILE A 191 2.045 -12.540 2.354 1.00 31.23 H new ATOM 0 HG12 ILE A 191 4.641 -12.882 3.916 1.00 12.31 H new ATOM 0 HG13 ILE A 191 3.481 -14.150 3.571 1.00 12.31 H new ATOM 0 HG21 ILE A 191 3.868 -11.099 1.523 1.00 2.32 H new ATOM 0 HG22 ILE A 191 2.580 -10.166 2.323 1.00 2.32 H new ATOM 0 HG23 ILE A 191 4.113 -10.478 3.173 1.00 2.32 H new ATOM 0 HD11 ILE A 191 5.409 -14.293 2.069 1.00 2.43 H new ATOM 0 HD12 ILE A 191 3.931 -13.920 1.150 1.00 2.43 H new ATOM 0 HD13 ILE A 191 5.109 -12.633 1.501 1.00 2.43 H new ATOM 799 N THR A 192 2.140 -9.651 5.143 1.00 5.21 N ATOM 800 CA THR A 192 1.671 -8.333 5.243 1.00 43.05 C ATOM 801 C THR A 192 2.451 -7.455 4.300 1.00 54.10 C ATOM 802 O THR A 192 3.684 -7.508 4.245 1.00 32.34 O ATOM 803 CB THR A 192 1.720 -7.792 6.702 1.00 60.22 C ATOM 804 OG1 THR A 192 1.137 -6.486 6.778 1.00 52.10 O ATOM 805 CG2 THR A 192 3.137 -7.763 7.271 1.00 14.14 C ATOM 0 H THR A 192 3.029 -9.824 5.613 1.00 5.21 H new ATOM 0 HA THR A 192 0.619 -8.322 4.958 1.00 43.05 H new ATOM 0 HB THR A 192 1.139 -8.485 7.310 1.00 60.22 H new ATOM 0 HG1 THR A 192 0.459 -6.389 6.077 1.00 52.10 H new ATOM 0 HG21 THR A 192 3.112 -7.377 8.290 1.00 14.14 H new ATOM 0 HG22 THR A 192 3.548 -8.772 7.275 1.00 14.14 H new ATOM 0 HG23 THR A 192 3.764 -7.118 6.654 1.00 14.14 H new ATOM 813 N LEU A 193 1.743 -6.724 3.514 1.00 44.31 N ATOM 814 CA LEU A 193 2.346 -5.804 2.623 1.00 44.54 C ATOM 815 C LEU A 193 2.059 -4.430 3.135 1.00 55.32 C ATOM 816 O LEU A 193 0.901 -4.034 3.240 1.00 33.45 O ATOM 817 CB LEU A 193 1.824 -5.921 1.165 1.00 4.33 C ATOM 818 CG LEU A 193 2.054 -7.240 0.400 1.00 5.51 C ATOM 819 CD1 LEU A 193 1.158 -8.352 0.913 1.00 50.24 C ATOM 820 CD2 LEU A 193 1.837 -7.025 -1.090 1.00 14.32 C ATOM 0 H LEU A 193 0.724 -6.749 3.472 1.00 44.31 H new ATOM 0 HA LEU A 193 3.413 -6.021 2.586 1.00 44.54 H new ATOM 0 HB2 LEU A 193 0.751 -5.732 1.182 1.00 4.33 H new ATOM 0 HB3 LEU A 193 2.280 -5.119 0.585 1.00 4.33 H new ATOM 0 HG LEU A 193 3.086 -7.549 0.570 1.00 5.51 H new ATOM 0 HD11 LEU A 193 1.351 -9.264 0.348 1.00 50.24 H new ATOM 0 HD12 LEU A 193 1.365 -8.528 1.969 1.00 50.24 H new ATOM 0 HD13 LEU A 193 0.114 -8.063 0.791 1.00 50.24 H new ATOM 0 HD21 LEU A 193 2.002 -7.963 -1.621 1.00 14.32 H new ATOM 0 HD22 LEU A 193 0.816 -6.685 -1.264 1.00 14.32 H new ATOM 0 HD23 LEU A 193 2.537 -6.274 -1.455 1.00 14.32 H new ATOM 832 N THR A 194 3.070 -3.750 3.532 1.00 54.31 N ATOM 833 CA THR A 194 2.944 -2.408 3.942 1.00 24.45 C ATOM 834 C THR A 194 3.564 -1.573 2.852 1.00 73.20 C ATOM 835 O THR A 194 4.779 -1.540 2.685 1.00 14.13 O ATOM 836 CB THR A 194 3.677 -2.190 5.275 1.00 32.12 C ATOM 837 OG1 THR A 194 3.246 -3.207 6.198 1.00 33.52 O ATOM 838 CG2 THR A 194 3.359 -0.812 5.855 1.00 72.22 C ATOM 0 H THR A 194 4.020 -4.118 3.581 1.00 54.31 H new ATOM 0 HA THR A 194 1.901 -2.134 4.099 1.00 24.45 H new ATOM 0 HB THR A 194 4.752 -2.248 5.108 1.00 32.12 H new ATOM 0 HG1 THR A 194 3.705 -3.086 7.056 1.00 33.52 H new ATOM 0 HG21 THR A 194 3.890 -0.683 6.798 1.00 72.22 H new ATOM 0 HG22 THR A 194 3.674 -0.040 5.153 1.00 72.22 H new ATOM 0 HG23 THR A 194 2.286 -0.729 6.028 1.00 72.22 H new ATOM 846 N ALA A 195 2.745 -0.956 2.091 1.00 33.32 N ATOM 847 CA ALA A 195 3.207 -0.188 0.992 1.00 5.24 C ATOM 848 C ALA A 195 3.318 1.245 1.398 1.00 24.24 C ATOM 849 O ALA A 195 2.419 1.777 2.041 1.00 74.42 O ATOM 850 CB ALA A 195 2.276 -0.355 -0.197 1.00 13.55 C ATOM 0 H ALA A 195 1.732 -0.966 2.209 1.00 33.32 H new ATOM 0 HA ALA A 195 4.194 -0.540 0.690 1.00 5.24 H new ATOM 0 HB1 ALA A 195 2.643 0.240 -1.033 1.00 13.55 H new ATOM 0 HB2 ALA A 195 2.241 -1.405 -0.487 1.00 13.55 H new ATOM 0 HB3 ALA A 195 1.275 -0.020 0.075 1.00 13.55 H new ATOM 856 N HIS A 196 4.417 1.845 1.072 1.00 60.53 N ATOM 857 CA HIS A 196 4.631 3.233 1.345 1.00 13.01 C ATOM 858 C HIS A 196 4.387 3.981 0.043 1.00 23.10 C ATOM 859 O HIS A 196 5.118 3.805 -0.955 1.00 62.33 O ATOM 860 CB HIS A 196 6.062 3.464 1.893 1.00 50.15 C ATOM 861 CG HIS A 196 6.420 4.906 2.190 1.00 30.40 C ATOM 862 ND1 HIS A 196 7.694 5.328 2.502 1.00 22.24 N ATOM 863 CD2 HIS A 196 5.655 6.030 2.182 1.00 33.12 C ATOM 864 CE1 HIS A 196 7.665 6.648 2.659 1.00 10.41 C ATOM 865 NE2 HIS A 196 6.451 7.124 2.474 1.00 0.11 N ATOM 0 H HIS A 196 5.198 1.384 0.605 1.00 60.53 H new ATOM 0 HA HIS A 196 3.950 3.598 2.114 1.00 13.01 H new ATOM 0 HB2 HIS A 196 6.181 2.882 2.807 1.00 50.15 H new ATOM 0 HB3 HIS A 196 6.777 3.071 1.170 1.00 50.15 H new ATOM 0 HD1 HIS A 196 8.516 4.732 2.596 1.00 22.24 H new ATOM 0 HD2 HIS A 196 4.595 6.064 1.980 1.00 33.12 H new ATOM 0 HE1 HIS A 196 8.526 7.252 2.906 1.00 10.41 H new ATOM 873 N LEU A 197 3.366 4.764 0.044 1.00 2.21 N ATOM 874 CA LEU A 197 2.928 5.466 -1.115 1.00 54.14 C ATOM 875 C LEU A 197 3.016 6.955 -0.882 1.00 13.53 C ATOM 876 O LEU A 197 3.101 7.415 0.244 1.00 63.21 O ATOM 877 CB LEU A 197 1.456 5.140 -1.432 1.00 34.01 C ATOM 878 CG LEU A 197 1.037 3.679 -1.676 1.00 51.13 C ATOM 879 CD1 LEU A 197 2.022 2.932 -2.554 1.00 15.33 C ATOM 880 CD2 LEU A 197 0.739 2.950 -0.387 1.00 4.55 C ATOM 0 H LEU A 197 2.796 4.940 0.872 1.00 2.21 H new ATOM 0 HA LEU A 197 3.568 5.160 -1.943 1.00 54.14 H new ATOM 0 HB2 LEU A 197 0.853 5.519 -0.607 1.00 34.01 H new ATOM 0 HB3 LEU A 197 1.179 5.711 -2.318 1.00 34.01 H new ATOM 0 HG LEU A 197 0.102 3.713 -2.235 1.00 51.13 H new ATOM 0 HD11 LEU A 197 1.679 1.907 -2.695 1.00 15.33 H new ATOM 0 HD12 LEU A 197 2.094 3.427 -3.523 1.00 15.33 H new ATOM 0 HD13 LEU A 197 3.002 2.925 -2.077 1.00 15.33 H new ATOM 0 HD21 LEU A 197 0.448 1.923 -0.609 1.00 4.55 H new ATOM 0 HD22 LEU A 197 1.628 2.947 0.243 1.00 4.55 H new ATOM 0 HD23 LEU A 197 -0.074 3.453 0.136 1.00 4.55 H new ATOM 892 N LEU A 198 2.989 7.678 -1.945 1.00 63.33 N ATOM 893 CA LEU A 198 2.940 9.110 -1.946 1.00 31.10 C ATOM 894 C LEU A 198 1.812 9.489 -2.890 1.00 72.22 C ATOM 895 O LEU A 198 1.844 9.111 -4.055 1.00 52.30 O ATOM 896 CB LEU A 198 4.253 9.670 -2.509 1.00 41.44 C ATOM 897 CG LEU A 198 5.541 9.352 -1.753 1.00 55.03 C ATOM 898 CD1 LEU A 198 6.732 9.813 -2.563 1.00 12.13 C ATOM 899 CD2 LEU A 198 5.551 10.033 -0.394 1.00 61.02 C ATOM 0 H LEU A 198 3.001 7.277 -2.883 1.00 63.33 H new ATOM 0 HA LEU A 198 2.790 9.502 -0.940 1.00 31.10 H new ATOM 0 HB2 LEU A 198 4.364 9.304 -3.530 1.00 41.44 H new ATOM 0 HB3 LEU A 198 4.157 10.754 -2.568 1.00 41.44 H new ATOM 0 HG LEU A 198 5.596 8.274 -1.600 1.00 55.03 H new ATOM 0 HD11 LEU A 198 7.650 9.585 -2.022 1.00 12.13 H new ATOM 0 HD12 LEU A 198 6.740 9.298 -3.524 1.00 12.13 H new ATOM 0 HD13 LEU A 198 6.665 10.888 -2.728 1.00 12.13 H new ATOM 0 HD21 LEU A 198 6.478 9.792 0.127 1.00 61.02 H new ATOM 0 HD22 LEU A 198 5.479 11.112 -0.527 1.00 61.02 H new ATOM 0 HD23 LEU A 198 4.703 9.683 0.195 1.00 61.02 H new ATOM 911 N MET A 199 0.827 10.194 -2.426 1.00 11.51 N ATOM 912 CA MET A 199 -0.275 10.578 -3.309 1.00 42.34 C ATOM 913 C MET A 199 -0.169 12.034 -3.616 1.00 60.24 C ATOM 914 O MET A 199 0.068 12.836 -2.713 1.00 13.31 O ATOM 915 CB MET A 199 -1.648 10.309 -2.674 1.00 15.24 C ATOM 916 CG MET A 199 -2.816 10.785 -3.551 1.00 44.14 C ATOM 917 SD MET A 199 -4.439 10.627 -2.776 1.00 71.31 S ATOM 918 CE MET A 199 -4.587 8.851 -2.646 1.00 25.03 C ATOM 0 H MET A 199 0.746 10.519 -1.463 1.00 11.51 H new ATOM 0 HA MET A 199 -0.197 9.977 -4.215 1.00 42.34 H new ATOM 0 HB2 MET A 199 -1.753 9.240 -2.487 1.00 15.24 H new ATOM 0 HB3 MET A 199 -1.699 10.809 -1.707 1.00 15.24 H new ATOM 0 HG2 MET A 199 -2.653 11.830 -3.817 1.00 44.14 H new ATOM 0 HG3 MET A 199 -2.813 10.215 -4.480 1.00 44.14 H new ATOM 0 HE1 MET A 199 -5.627 8.585 -2.457 1.00 25.03 H new ATOM 0 HE2 MET A 199 -4.258 8.389 -3.577 1.00 25.03 H new ATOM 0 HE3 MET A 199 -3.967 8.493 -1.824 1.00 25.03 H new ATOM 928 N VAL A 200 -0.357 12.379 -4.868 1.00 24.44 N ATOM 929 CA VAL A 200 -0.245 13.750 -5.309 1.00 73.35 C ATOM 930 C VAL A 200 -1.393 14.544 -4.732 1.00 50.01 C ATOM 931 O VAL A 200 -2.575 14.209 -4.947 1.00 73.43 O ATOM 932 CB VAL A 200 -0.313 13.862 -6.844 1.00 44.42 C ATOM 933 CG1 VAL A 200 -0.005 15.279 -7.298 1.00 60.42 C ATOM 934 CG2 VAL A 200 0.609 12.868 -7.519 1.00 73.25 C ATOM 0 H VAL A 200 -0.592 11.718 -5.609 1.00 24.44 H new ATOM 0 HA VAL A 200 0.718 14.133 -4.971 1.00 73.35 H new ATOM 0 HB VAL A 200 -1.332 13.620 -7.144 1.00 44.42 H new ATOM 0 HG11 VAL A 200 -0.059 15.333 -8.385 1.00 60.42 H new ATOM 0 HG12 VAL A 200 -0.731 15.966 -6.864 1.00 60.42 H new ATOM 0 HG13 VAL A 200 0.997 15.556 -6.971 1.00 60.42 H new ATOM 0 HG21 VAL A 200 0.533 12.978 -8.601 1.00 73.25 H new ATOM 0 HG22 VAL A 200 1.636 13.055 -7.207 1.00 73.25 H new ATOM 0 HG23 VAL A 200 0.322 11.855 -7.236 1.00 73.25 H new ATOM 944 N GLY A 201 -1.058 15.550 -3.977 1.00 61.54 N ATOM 945 CA GLY A 201 -2.048 16.348 -3.359 1.00 35.52 C ATOM 946 C GLY A 201 -2.383 15.795 -2.019 1.00 5.23 C ATOM 947 O GLY A 201 -1.523 15.752 -1.130 1.00 0.21 O ATOM 0 H GLY A 201 -0.097 15.829 -3.780 1.00 61.54 H new ATOM 0 HA2 GLY A 201 -1.691 17.373 -3.260 1.00 35.52 H new ATOM 0 HA3 GLY A 201 -2.942 16.381 -3.982 1.00 35.52 H new ATOM 951 N HIS A 202 -3.597 15.316 -1.906 1.00 1.33 N ATOM 952 CA HIS A 202 -4.162 14.753 -0.685 1.00 24.30 C ATOM 953 C HIS A 202 -5.624 14.439 -0.951 1.00 74.32 C ATOM 954 O HIS A 202 -6.480 15.322 -0.882 1.00 44.02 O ATOM 955 CB HIS A 202 -4.055 15.759 0.499 1.00 42.14 C ATOM 956 CG HIS A 202 -4.431 15.234 1.878 1.00 41.50 C ATOM 957 ND1 HIS A 202 -4.541 16.041 2.992 1.00 33.21 N ATOM 958 CD2 HIS A 202 -4.653 13.963 2.328 1.00 12.02 C ATOM 959 CE1 HIS A 202 -4.805 15.271 4.044 1.00 54.02 C ATOM 960 NE2 HIS A 202 -4.885 13.997 3.694 1.00 33.11 N ATOM 0 H HIS A 202 -4.252 15.303 -2.688 1.00 1.33 H new ATOM 0 HA HIS A 202 -3.610 13.854 -0.410 1.00 24.30 H new ATOM 0 HB2 HIS A 202 -3.029 16.126 0.542 1.00 42.14 H new ATOM 0 HB3 HIS A 202 -4.691 16.616 0.276 1.00 42.14 H new ATOM 0 HD2 HIS A 202 -4.648 13.073 1.716 1.00 12.02 H new ATOM 0 HE1 HIS A 202 -4.937 15.637 5.051 1.00 54.02 H new ATOM 0 HE2 HIS A 202 -5.078 13.203 4.304 1.00 33.11 H new ATOM 968 N THR A 203 -5.906 13.231 -1.335 1.00 23.34 N ATOM 969 CA THR A 203 -7.252 12.822 -1.544 1.00 11.03 C ATOM 970 C THR A 203 -7.533 11.545 -0.715 1.00 32.12 C ATOM 971 O THR A 203 -7.399 10.418 -1.210 1.00 63.41 O ATOM 972 CB THR A 203 -7.559 12.583 -3.036 1.00 72.14 C ATOM 973 OG1 THR A 203 -7.009 13.660 -3.834 1.00 32.54 O ATOM 974 CG2 THR A 203 -9.062 12.551 -3.251 1.00 1.43 C ATOM 0 H THR A 203 -5.209 12.507 -1.510 1.00 23.34 H new ATOM 0 HA THR A 203 -7.909 13.626 -1.213 1.00 11.03 H new ATOM 0 HB THR A 203 -7.114 11.634 -3.334 1.00 72.14 H new ATOM 0 HG1 THR A 203 -7.207 13.500 -4.780 1.00 32.54 H new ATOM 0 HG21 THR A 203 -9.275 12.382 -4.307 1.00 1.43 H new ATOM 0 HG22 THR A 203 -9.497 11.745 -2.659 1.00 1.43 H new ATOM 0 HG23 THR A 203 -9.494 13.503 -2.942 1.00 1.43 H new ATOM 982 N PRO A 204 -7.860 11.725 0.577 1.00 32.21 N ATOM 983 CA PRO A 204 -8.098 10.623 1.522 1.00 62.31 C ATOM 984 C PRO A 204 -9.146 9.624 1.055 1.00 21.34 C ATOM 985 O PRO A 204 -8.990 8.422 1.247 1.00 72.45 O ATOM 986 CB PRO A 204 -8.572 11.319 2.795 1.00 32.14 C ATOM 987 CG PRO A 204 -8.060 12.709 2.692 1.00 65.44 C ATOM 988 CD PRO A 204 -7.993 13.035 1.231 1.00 14.11 C ATOM 0 HA PRO A 204 -7.192 10.030 1.647 1.00 62.31 H new ATOM 0 HB2 PRO A 204 -9.659 11.304 2.870 1.00 32.14 H new ATOM 0 HB3 PRO A 204 -8.184 10.821 3.684 1.00 32.14 H new ATOM 0 HG2 PRO A 204 -8.718 13.404 3.214 1.00 65.44 H new ATOM 0 HG3 PRO A 204 -7.076 12.794 3.153 1.00 65.44 H new ATOM 0 HD2 PRO A 204 -8.890 13.558 0.898 1.00 14.11 H new ATOM 0 HD3 PRO A 204 -7.145 13.681 1.005 1.00 14.11 H new ATOM 996 N ALA A 205 -10.182 10.118 0.430 1.00 2.40 N ATOM 997 CA ALA A 205 -11.282 9.281 -0.031 1.00 12.03 C ATOM 998 C ALA A 205 -10.878 8.425 -1.218 1.00 45.43 C ATOM 999 O ALA A 205 -11.337 7.299 -1.365 1.00 65.45 O ATOM 1000 CB ALA A 205 -12.488 10.110 -0.362 1.00 14.13 C ATOM 0 H ALA A 205 -10.297 11.110 0.221 1.00 2.40 H new ATOM 0 HA ALA A 205 -11.541 8.609 0.787 1.00 12.03 H new ATOM 0 HB1 ALA A 205 -13.294 9.460 -0.703 1.00 14.13 H new ATOM 0 HB2 ALA A 205 -12.811 10.653 0.526 1.00 14.13 H new ATOM 0 HB3 ALA A 205 -12.236 10.820 -1.150 1.00 14.13 H new ATOM 1006 N LYS A 206 -9.991 8.946 -2.040 1.00 64.50 N ATOM 1007 CA LYS A 206 -9.482 8.213 -3.188 1.00 35.14 C ATOM 1008 C LYS A 206 -8.713 7.008 -2.693 1.00 0.33 C ATOM 1009 O LYS A 206 -8.883 5.889 -3.192 1.00 54.04 O ATOM 1010 CB LYS A 206 -8.602 9.128 -4.052 1.00 32.25 C ATOM 1011 CG LYS A 206 -7.988 8.479 -5.287 1.00 22.14 C ATOM 1012 CD LYS A 206 -7.115 9.466 -6.078 1.00 53.25 C ATOM 1013 CE LYS A 206 -7.923 10.622 -6.669 1.00 72.23 C ATOM 1014 NZ LYS A 206 -7.069 11.598 -7.385 1.00 41.50 N ATOM 0 H LYS A 206 -9.602 9.883 -1.935 1.00 64.50 H new ATOM 0 HA LYS A 206 -10.307 7.871 -3.813 1.00 35.14 H new ATOM 0 HB2 LYS A 206 -9.201 9.981 -4.372 1.00 32.25 H new ATOM 0 HB3 LYS A 206 -7.796 9.519 -3.431 1.00 32.25 H new ATOM 0 HG2 LYS A 206 -7.385 7.622 -4.985 1.00 22.14 H new ATOM 0 HG3 LYS A 206 -8.782 8.100 -5.931 1.00 22.14 H new ATOM 0 HD2 LYS A 206 -6.341 9.866 -5.423 1.00 53.25 H new ATOM 0 HD3 LYS A 206 -6.608 8.933 -6.882 1.00 53.25 H new ATOM 0 HE2 LYS A 206 -8.671 10.226 -7.355 1.00 72.23 H new ATOM 0 HE3 LYS A 206 -8.461 11.132 -5.870 1.00 72.23 H new ATOM 0 HZ1 LYS A 206 -7.663 12.354 -7.782 1.00 41.50 H new ATOM 0 HZ2 LYS A 206 -6.382 12.010 -6.722 1.00 41.50 H new ATOM 0 HZ3 LYS A 206 -6.561 11.116 -8.154 1.00 41.50 H new ATOM 1028 N LEU A 207 -7.922 7.227 -1.662 1.00 24.35 N ATOM 1029 CA LEU A 207 -7.175 6.161 -1.058 1.00 44.53 C ATOM 1030 C LEU A 207 -8.131 5.208 -0.355 1.00 15.30 C ATOM 1031 O LEU A 207 -7.999 4.009 -0.452 1.00 32.22 O ATOM 1032 CB LEU A 207 -6.164 6.702 -0.053 1.00 2.23 C ATOM 1033 CG LEU A 207 -5.232 5.662 0.573 1.00 43.32 C ATOM 1034 CD1 LEU A 207 -4.315 5.051 -0.468 1.00 74.01 C ATOM 1035 CD2 LEU A 207 -4.433 6.273 1.682 1.00 15.31 C ATOM 0 H LEU A 207 -7.785 8.140 -1.229 1.00 24.35 H new ATOM 0 HA LEU A 207 -6.631 5.633 -1.842 1.00 44.53 H new ATOM 0 HB2 LEU A 207 -5.555 7.458 -0.549 1.00 2.23 H new ATOM 0 HB3 LEU A 207 -6.707 7.205 0.747 1.00 2.23 H new ATOM 0 HG LEU A 207 -5.849 4.864 0.987 1.00 43.32 H new ATOM 0 HD11 LEU A 207 -3.665 4.316 0.006 1.00 74.01 H new ATOM 0 HD12 LEU A 207 -4.913 4.563 -1.238 1.00 74.01 H new ATOM 0 HD13 LEU A 207 -3.707 5.834 -0.922 1.00 74.01 H new ATOM 0 HD21 LEU A 207 -3.776 5.519 2.115 1.00 15.31 H new ATOM 0 HD22 LEU A 207 -3.833 7.094 1.289 1.00 15.31 H new ATOM 0 HD23 LEU A 207 -5.107 6.652 2.450 1.00 15.31 H new ATOM 1047 N GLU A 208 -9.121 5.780 0.298 1.00 65.43 N ATOM 1048 CA GLU A 208 -10.114 5.053 1.084 1.00 64.01 C ATOM 1049 C GLU A 208 -10.925 4.093 0.185 1.00 2.25 C ATOM 1050 O GLU A 208 -11.216 2.952 0.576 1.00 2.44 O ATOM 1051 CB GLU A 208 -10.994 6.095 1.822 1.00 41.40 C ATOM 1052 CG GLU A 208 -11.846 5.623 3.003 1.00 61.24 C ATOM 1053 CD GLU A 208 -13.057 4.835 2.625 1.00 30.22 C ATOM 1054 OE1 GLU A 208 -13.930 5.370 1.910 1.00 22.13 O ATOM 1055 OE2 GLU A 208 -13.170 3.676 3.035 1.00 52.33 O ATOM 0 H GLU A 208 -9.267 6.789 0.301 1.00 65.43 H new ATOM 0 HA GLU A 208 -9.636 4.418 1.830 1.00 64.01 H new ATOM 0 HB2 GLU A 208 -10.338 6.888 2.182 1.00 41.40 H new ATOM 0 HB3 GLU A 208 -11.663 6.543 1.088 1.00 41.40 H new ATOM 0 HG2 GLU A 208 -11.225 5.015 3.661 1.00 61.24 H new ATOM 0 HG3 GLU A 208 -12.161 6.494 3.577 1.00 61.24 H new ATOM 1062 N ARG A 209 -11.245 4.530 -1.018 1.00 70.31 N ATOM 1063 CA ARG A 209 -11.959 3.692 -1.958 1.00 71.20 C ATOM 1064 C ARG A 209 -11.050 2.602 -2.501 1.00 12.25 C ATOM 1065 O ARG A 209 -11.469 1.443 -2.638 1.00 52.15 O ATOM 1066 CB ARG A 209 -12.580 4.510 -3.108 1.00 1.45 C ATOM 1067 CG ARG A 209 -13.428 3.674 -4.074 1.00 52.13 C ATOM 1068 CD ARG A 209 -13.951 4.487 -5.257 1.00 1.32 C ATOM 1069 NE ARG A 209 -14.808 5.612 -4.849 1.00 2.44 N ATOM 1070 CZ ARG A 209 -15.688 6.250 -5.643 1.00 31.12 C ATOM 1071 NH1 ARG A 209 -15.897 5.833 -6.883 1.00 62.21 N ATOM 1072 NH2 ARG A 209 -16.352 7.303 -5.182 1.00 3.21 N ATOM 0 H ARG A 209 -11.021 5.462 -1.366 1.00 70.31 H new ATOM 0 HA ARG A 209 -12.781 3.224 -1.416 1.00 71.20 H new ATOM 0 HB2 ARG A 209 -13.200 5.300 -2.686 1.00 1.45 H new ATOM 0 HB3 ARG A 209 -11.781 4.996 -3.668 1.00 1.45 H new ATOM 0 HG2 ARG A 209 -12.832 2.841 -4.447 1.00 52.13 H new ATOM 0 HG3 ARG A 209 -14.271 3.245 -3.532 1.00 52.13 H new ATOM 0 HD2 ARG A 209 -13.106 4.870 -5.829 1.00 1.32 H new ATOM 0 HD3 ARG A 209 -14.514 3.831 -5.921 1.00 1.32 H new ATOM 0 HE ARG A 209 -14.728 5.935 -3.885 1.00 2.44 H new ATOM 0 HH11 ARG A 209 -15.390 5.024 -7.241 1.00 62.21 H new ATOM 0 HH12 ARG A 209 -16.565 6.321 -7.479 1.00 62.21 H new ATOM 0 HH21 ARG A 209 -16.195 7.627 -4.228 1.00 3.21 H new ATOM 0 HH22 ARG A 209 -17.019 7.788 -5.782 1.00 3.21 H new ATOM 1086 N LEU A 210 -9.802 2.942 -2.768 1.00 25.34 N ATOM 1087 CA LEU A 210 -8.895 1.967 -3.330 1.00 1.11 C ATOM 1088 C LEU A 210 -8.428 0.960 -2.277 1.00 33.45 C ATOM 1089 O LEU A 210 -8.228 -0.210 -2.584 1.00 51.32 O ATOM 1090 CB LEU A 210 -7.724 2.623 -4.118 1.00 10.32 C ATOM 1091 CG LEU A 210 -6.604 3.342 -3.342 1.00 21.10 C ATOM 1092 CD1 LEU A 210 -5.555 2.358 -2.814 1.00 4.44 C ATOM 1093 CD2 LEU A 210 -5.953 4.397 -4.208 1.00 32.43 C ATOM 0 H LEU A 210 -9.402 3.867 -2.608 1.00 25.34 H new ATOM 0 HA LEU A 210 -9.454 1.398 -4.072 1.00 1.11 H new ATOM 0 HB2 LEU A 210 -7.257 1.844 -4.721 1.00 10.32 H new ATOM 0 HB3 LEU A 210 -8.158 3.344 -4.810 1.00 10.32 H new ATOM 0 HG LEU A 210 -7.062 3.827 -2.480 1.00 21.10 H new ATOM 0 HD11 LEU A 210 -4.783 2.905 -2.273 1.00 4.44 H new ATOM 0 HD12 LEU A 210 -6.032 1.644 -2.143 1.00 4.44 H new ATOM 0 HD13 LEU A 210 -5.103 1.824 -3.650 1.00 4.44 H new ATOM 0 HD21 LEU A 210 -5.164 4.895 -3.644 1.00 32.43 H new ATOM 0 HD22 LEU A 210 -5.525 3.927 -5.094 1.00 32.43 H new ATOM 0 HD23 LEU A 210 -6.700 5.130 -4.512 1.00 32.43 H new ATOM 1105 N VAL A 211 -8.291 1.404 -1.023 1.00 1.44 N ATOM 1106 CA VAL A 211 -7.872 0.505 0.029 1.00 44.32 C ATOM 1107 C VAL A 211 -9.018 -0.442 0.361 1.00 40.31 C ATOM 1108 O VAL A 211 -8.797 -1.583 0.763 1.00 74.25 O ATOM 1109 CB VAL A 211 -7.327 1.241 1.308 1.00 61.43 C ATOM 1110 CG1 VAL A 211 -8.407 1.998 2.048 1.00 74.05 C ATOM 1111 CG2 VAL A 211 -6.612 0.276 2.239 1.00 62.10 C ATOM 0 H VAL A 211 -8.463 2.365 -0.726 1.00 1.44 H new ATOM 0 HA VAL A 211 -7.022 -0.067 -0.342 1.00 44.32 H new ATOM 0 HB VAL A 211 -6.605 1.978 0.955 1.00 61.43 H new ATOM 0 HG11 VAL A 211 -7.975 2.487 2.922 1.00 74.05 H new ATOM 0 HG12 VAL A 211 -8.841 2.750 1.389 1.00 74.05 H new ATOM 0 HG13 VAL A 211 -9.184 1.304 2.368 1.00 74.05 H new ATOM 0 HG21 VAL A 211 -6.248 0.816 3.113 1.00 62.10 H new ATOM 0 HG22 VAL A 211 -7.305 -0.503 2.557 1.00 62.10 H new ATOM 0 HG23 VAL A 211 -5.770 -0.178 1.716 1.00 62.10 H new ATOM 1121 N ALA A 212 -10.250 0.032 0.135 1.00 45.35 N ATOM 1122 CA ALA A 212 -11.420 -0.801 0.278 1.00 11.03 C ATOM 1123 C ALA A 212 -11.321 -1.928 -0.711 1.00 34.22 C ATOM 1124 O ALA A 212 -11.435 -3.079 -0.344 1.00 13.54 O ATOM 1125 CB ALA A 212 -12.702 -0.012 0.056 1.00 61.00 C ATOM 0 H ALA A 212 -10.448 0.992 -0.148 1.00 45.35 H new ATOM 0 HA ALA A 212 -11.458 -1.190 1.295 1.00 11.03 H new ATOM 0 HB1 ALA A 212 -13.561 -0.673 0.172 1.00 61.00 H new ATOM 0 HB2 ALA A 212 -12.764 0.795 0.786 1.00 61.00 H new ATOM 0 HB3 ALA A 212 -12.701 0.408 -0.950 1.00 61.00 H new ATOM 1131 N GLU A 213 -11.032 -1.576 -1.950 1.00 3.21 N ATOM 1132 CA GLU A 213 -10.853 -2.545 -3.031 1.00 42.12 C ATOM 1133 C GLU A 213 -9.732 -3.528 -2.701 1.00 71.00 C ATOM 1134 O GLU A 213 -9.884 -4.726 -2.905 1.00 40.10 O ATOM 1135 CB GLU A 213 -10.603 -1.809 -4.350 1.00 50.43 C ATOM 1136 CG GLU A 213 -10.489 -2.695 -5.574 1.00 41.53 C ATOM 1137 CD GLU A 213 -10.478 -1.886 -6.841 1.00 74.21 C ATOM 1138 OE1 GLU A 213 -11.508 -1.251 -7.147 1.00 3.24 O ATOM 1139 OE2 GLU A 213 -9.472 -1.847 -7.562 1.00 44.44 O ATOM 0 H GLU A 213 -10.913 -0.606 -2.243 1.00 3.21 H new ATOM 0 HA GLU A 213 -11.765 -3.132 -3.141 1.00 42.12 H new ATOM 0 HB2 GLU A 213 -11.414 -1.099 -4.510 1.00 50.43 H new ATOM 0 HB3 GLU A 213 -9.685 -1.229 -4.255 1.00 50.43 H new ATOM 0 HG2 GLU A 213 -9.576 -3.288 -5.512 1.00 41.53 H new ATOM 0 HG3 GLU A 213 -11.323 -3.396 -5.596 1.00 41.53 H new ATOM 1146 N LEU A 214 -8.647 -3.022 -2.140 1.00 24.42 N ATOM 1147 CA LEU A 214 -7.539 -3.869 -1.722 1.00 62.41 C ATOM 1148 C LEU A 214 -7.972 -4.848 -0.653 1.00 22.04 C ATOM 1149 O LEU A 214 -7.622 -6.004 -0.703 1.00 52.53 O ATOM 1150 CB LEU A 214 -6.345 -3.044 -1.231 1.00 63.23 C ATOM 1151 CG LEU A 214 -5.599 -2.229 -2.286 1.00 25.51 C ATOM 1152 CD1 LEU A 214 -4.525 -1.378 -1.630 1.00 34.44 C ATOM 1153 CD2 LEU A 214 -4.972 -3.157 -3.318 1.00 54.25 C ATOM 0 H LEU A 214 -8.508 -2.027 -1.963 1.00 24.42 H new ATOM 0 HA LEU A 214 -7.221 -4.431 -2.600 1.00 62.41 H new ATOM 0 HB2 LEU A 214 -6.697 -2.361 -0.458 1.00 63.23 H new ATOM 0 HB3 LEU A 214 -5.634 -3.721 -0.758 1.00 63.23 H new ATOM 0 HG LEU A 214 -6.310 -1.572 -2.787 1.00 25.51 H new ATOM 0 HD11 LEU A 214 -4.001 -0.802 -2.393 1.00 34.44 H new ATOM 0 HD12 LEU A 214 -4.987 -0.697 -0.915 1.00 34.44 H new ATOM 0 HD13 LEU A 214 -3.816 -2.023 -1.111 1.00 34.44 H new ATOM 0 HD21 LEU A 214 -4.443 -2.566 -4.065 1.00 54.25 H new ATOM 0 HD22 LEU A 214 -4.271 -3.829 -2.824 1.00 54.25 H new ATOM 0 HD23 LEU A 214 -5.753 -3.741 -3.804 1.00 54.25 H new ATOM 1165 N SER A 215 -8.754 -4.387 0.293 1.00 14.25 N ATOM 1166 CA SER A 215 -9.214 -5.251 1.347 1.00 70.21 C ATOM 1167 C SER A 215 -10.360 -6.183 0.887 1.00 24.42 C ATOM 1168 O SER A 215 -10.609 -7.219 1.499 1.00 40.54 O ATOM 1169 CB SER A 215 -9.608 -4.434 2.569 1.00 50.23 C ATOM 1170 OG SER A 215 -10.563 -3.418 2.252 1.00 24.40 O ATOM 0 H SER A 215 -9.082 -3.423 0.353 1.00 14.25 H new ATOM 0 HA SER A 215 -8.386 -5.903 1.624 1.00 70.21 H new ATOM 0 HB2 SER A 215 -10.023 -5.096 3.329 1.00 50.23 H new ATOM 0 HB3 SER A 215 -8.718 -3.973 2.999 1.00 50.23 H new ATOM 0 HG SER A 215 -10.816 -3.490 1.308 1.00 24.40 H new ATOM 1176 N LEU A 216 -11.054 -5.796 -0.185 1.00 34.41 N ATOM 1177 CA LEU A 216 -12.123 -6.577 -0.749 1.00 71.45 C ATOM 1178 C LEU A 216 -11.581 -7.622 -1.703 1.00 3.13 C ATOM 1179 O LEU A 216 -12.322 -8.492 -2.173 1.00 23.03 O ATOM 1180 CB LEU A 216 -13.128 -5.677 -1.470 1.00 13.14 C ATOM 1181 CG LEU A 216 -13.992 -4.754 -0.600 1.00 21.33 C ATOM 1182 CD1 LEU A 216 -14.869 -3.874 -1.476 1.00 15.53 C ATOM 1183 CD2 LEU A 216 -14.859 -5.561 0.362 1.00 14.11 C ATOM 0 H LEU A 216 -10.878 -4.922 -0.680 1.00 34.41 H new ATOM 0 HA LEU A 216 -12.634 -7.086 0.068 1.00 71.45 H new ATOM 0 HB2 LEU A 216 -12.579 -5.057 -2.179 1.00 13.14 H new ATOM 0 HB3 LEU A 216 -13.794 -6.313 -2.053 1.00 13.14 H new ATOM 0 HG LEU A 216 -13.325 -4.122 -0.013 1.00 21.33 H new ATOM 0 HD11 LEU A 216 -15.477 -3.224 -0.846 1.00 15.53 H new ATOM 0 HD12 LEU A 216 -14.240 -3.265 -2.125 1.00 15.53 H new ATOM 0 HD13 LEU A 216 -15.520 -4.501 -2.085 1.00 15.53 H new ATOM 0 HD21 LEU A 216 -15.461 -4.882 0.966 1.00 14.11 H new ATOM 0 HD22 LEU A 216 -15.516 -6.220 -0.206 1.00 14.11 H new ATOM 0 HD23 LEU A 216 -14.221 -6.158 1.014 1.00 14.11 H new ATOM 1195 N GLN A 217 -10.312 -7.502 -2.029 1.00 51.44 N ATOM 1196 CA GLN A 217 -9.617 -8.470 -2.850 1.00 62.24 C ATOM 1197 C GLN A 217 -9.572 -9.801 -2.072 1.00 24.33 C ATOM 1198 O GLN A 217 -8.999 -9.857 -0.974 1.00 63.15 O ATOM 1199 CB GLN A 217 -8.197 -7.954 -3.137 1.00 11.13 C ATOM 1200 CG GLN A 217 -7.357 -8.799 -4.084 1.00 25.14 C ATOM 1201 CD GLN A 217 -7.920 -8.870 -5.489 1.00 14.11 C ATOM 1202 OE1 GLN A 217 -8.690 -9.759 -5.819 1.00 22.50 O ATOM 1203 NE2 GLN A 217 -7.557 -7.924 -6.312 1.00 73.20 N ATOM 0 H GLN A 217 -9.728 -6.722 -1.728 1.00 51.44 H new ATOM 0 HA GLN A 217 -10.125 -8.622 -3.802 1.00 62.24 H new ATOM 0 HB2 GLN A 217 -8.274 -6.949 -3.551 1.00 11.13 H new ATOM 0 HB3 GLN A 217 -7.665 -7.869 -2.190 1.00 11.13 H new ATOM 0 HG2 GLN A 217 -6.348 -8.390 -4.126 1.00 25.14 H new ATOM 0 HG3 GLN A 217 -7.275 -9.809 -3.682 1.00 25.14 H new ATOM 0 HE21 GLN A 217 -6.912 -7.198 -6.001 1.00 73.20 H new ATOM 0 HE22 GLN A 217 -7.919 -7.911 -7.266 1.00 73.20 H new ATOM 1212 N PRO A 218 -10.220 -10.863 -2.596 1.00 13.53 N ATOM 1213 CA PRO A 218 -10.316 -12.152 -1.911 1.00 40.22 C ATOM 1214 C PRO A 218 -8.957 -12.752 -1.569 1.00 33.31 C ATOM 1215 O PRO A 218 -8.184 -13.162 -2.458 1.00 4.14 O ATOM 1216 CB PRO A 218 -11.084 -13.047 -2.893 1.00 14.25 C ATOM 1217 CG PRO A 218 -10.993 -12.352 -4.206 1.00 24.24 C ATOM 1218 CD PRO A 218 -10.913 -10.891 -3.897 1.00 40.32 C ATOM 0 HA PRO A 218 -10.814 -12.048 -0.947 1.00 40.22 H new ATOM 0 HB2 PRO A 218 -10.645 -14.044 -2.944 1.00 14.25 H new ATOM 0 HB3 PRO A 218 -12.122 -13.171 -2.584 1.00 14.25 H new ATOM 0 HG2 PRO A 218 -10.115 -12.682 -4.761 1.00 24.24 H new ATOM 0 HG3 PRO A 218 -11.863 -12.572 -4.825 1.00 24.24 H new ATOM 0 HD2 PRO A 218 -10.358 -10.347 -4.661 1.00 40.32 H new ATOM 0 HD3 PRO A 218 -11.902 -10.437 -3.837 1.00 40.32 H new ATOM 1226 N GLY A 219 -8.672 -12.775 -0.290 1.00 1.12 N ATOM 1227 CA GLY A 219 -7.419 -13.296 0.204 1.00 72.25 C ATOM 1228 C GLY A 219 -6.881 -12.486 1.369 1.00 40.53 C ATOM 1229 O GLY A 219 -5.966 -12.926 2.081 1.00 33.24 O ATOM 0 H GLY A 219 -9.300 -12.434 0.438 1.00 1.12 H new ATOM 0 HA2 GLY A 219 -7.556 -14.331 0.516 1.00 72.25 H new ATOM 0 HA3 GLY A 219 -6.686 -13.300 -0.603 1.00 72.25 H new ATOM 1233 N VAL A 220 -7.416 -11.295 1.540 1.00 11.41 N ATOM 1234 CA VAL A 220 -7.051 -10.410 2.629 1.00 54.31 C ATOM 1235 C VAL A 220 -7.684 -10.860 3.954 1.00 75.43 C ATOM 1236 O VAL A 220 -8.856 -11.254 4.001 1.00 51.33 O ATOM 1237 CB VAL A 220 -7.489 -8.956 2.299 1.00 32.30 C ATOM 1238 CG1 VAL A 220 -7.203 -7.999 3.449 1.00 4.02 C ATOM 1239 CG2 VAL A 220 -6.796 -8.483 1.036 1.00 71.43 C ATOM 0 H VAL A 220 -8.126 -10.908 0.919 1.00 11.41 H new ATOM 0 HA VAL A 220 -5.968 -10.447 2.744 1.00 54.31 H new ATOM 0 HB VAL A 220 -8.568 -8.961 2.143 1.00 32.30 H new ATOM 0 HG11 VAL A 220 -7.525 -6.994 3.175 1.00 4.02 H new ATOM 0 HG12 VAL A 220 -7.745 -8.324 4.337 1.00 4.02 H new ATOM 0 HG13 VAL A 220 -6.134 -7.992 3.660 1.00 4.02 H new ATOM 0 HG21 VAL A 220 -7.107 -7.463 0.810 1.00 71.43 H new ATOM 0 HG22 VAL A 220 -5.716 -8.509 1.182 1.00 71.43 H new ATOM 0 HG23 VAL A 220 -7.066 -9.137 0.206 1.00 71.43 H new ATOM 1249 N TYR A 221 -6.892 -10.834 5.006 1.00 54.43 N ATOM 1250 CA TYR A 221 -7.353 -11.120 6.352 1.00 12.53 C ATOM 1251 C TYR A 221 -7.768 -9.820 6.999 1.00 50.14 C ATOM 1252 O TYR A 221 -8.912 -9.638 7.398 1.00 12.41 O ATOM 1253 CB TYR A 221 -6.229 -11.713 7.223 1.00 73.43 C ATOM 1254 CG TYR A 221 -5.755 -13.105 6.893 1.00 14.24 C ATOM 1255 CD1 TYR A 221 -4.976 -13.355 5.783 1.00 35.03 C ATOM 1256 CD2 TYR A 221 -6.056 -14.167 7.733 1.00 63.53 C ATOM 1257 CE1 TYR A 221 -4.510 -14.620 5.515 1.00 32.24 C ATOM 1258 CE2 TYR A 221 -5.596 -15.438 7.471 1.00 53.12 C ATOM 1259 CZ TYR A 221 -4.823 -15.662 6.362 1.00 34.54 C ATOM 1260 OH TYR A 221 -4.347 -16.936 6.104 1.00 52.35 O ATOM 0 H TYR A 221 -5.898 -10.611 4.951 1.00 54.43 H new ATOM 0 HA TYR A 221 -8.173 -11.835 6.282 1.00 12.53 H new ATOM 0 HB2 TYR A 221 -5.371 -11.043 7.167 1.00 73.43 H new ATOM 0 HB3 TYR A 221 -6.569 -11.710 8.259 1.00 73.43 H new ATOM 0 HD1 TYR A 221 -4.728 -12.544 5.114 1.00 35.03 H new ATOM 0 HD2 TYR A 221 -6.663 -13.994 8.609 1.00 63.53 H new ATOM 0 HE1 TYR A 221 -3.899 -14.798 4.642 1.00 32.24 H new ATOM 0 HE2 TYR A 221 -5.843 -16.253 8.135 1.00 53.12 H new ATOM 0 HH TYR A 221 -3.458 -16.877 5.695 1.00 52.35 H new ATOM 1270 N ALA A 222 -6.829 -8.892 7.027 1.00 53.10 N ATOM 1271 CA ALA A 222 -6.995 -7.628 7.738 1.00 50.31 C ATOM 1272 C ALA A 222 -6.296 -6.511 6.992 1.00 12.32 C ATOM 1273 O ALA A 222 -5.464 -6.779 6.112 1.00 31.52 O ATOM 1274 CB ALA A 222 -6.416 -7.757 9.136 1.00 24.44 C ATOM 0 H ALA A 222 -5.928 -8.989 6.559 1.00 53.10 H new ATOM 0 HA ALA A 222 -8.057 -7.391 7.804 1.00 50.31 H new ATOM 0 HB1 ALA A 222 -6.539 -6.814 9.669 1.00 24.44 H new ATOM 0 HB2 ALA A 222 -6.937 -8.549 9.674 1.00 24.44 H new ATOM 0 HB3 ALA A 222 -5.356 -8.001 9.070 1.00 24.44 H new ATOM 1280 N VAL A 223 -6.617 -5.274 7.335 1.00 40.13 N ATOM 1281 CA VAL A 223 -6.033 -4.120 6.667 1.00 0.32 C ATOM 1282 C VAL A 223 -6.087 -2.874 7.581 1.00 23.21 C ATOM 1283 O VAL A 223 -6.997 -2.742 8.417 1.00 22.41 O ATOM 1284 CB VAL A 223 -6.792 -3.819 5.329 1.00 2.53 C ATOM 1285 CG1 VAL A 223 -8.224 -3.356 5.591 1.00 12.24 C ATOM 1286 CG2 VAL A 223 -6.038 -2.819 4.456 1.00 41.33 C ATOM 0 H VAL A 223 -7.281 -5.042 8.074 1.00 40.13 H new ATOM 0 HA VAL A 223 -4.991 -4.352 6.445 1.00 0.32 H new ATOM 0 HB VAL A 223 -6.842 -4.756 4.775 1.00 2.53 H new ATOM 0 HG11 VAL A 223 -8.721 -3.156 4.642 1.00 12.24 H new ATOM 0 HG12 VAL A 223 -8.766 -4.135 6.127 1.00 12.24 H new ATOM 0 HG13 VAL A 223 -8.208 -2.446 6.191 1.00 12.24 H new ATOM 0 HG21 VAL A 223 -6.600 -2.640 3.539 1.00 41.33 H new ATOM 0 HG22 VAL A 223 -5.919 -1.881 4.998 1.00 41.33 H new ATOM 0 HG23 VAL A 223 -5.056 -3.221 4.207 1.00 41.33 H new ATOM 1296 N HIS A 224 -5.104 -2.005 7.443 1.00 13.43 N ATOM 1297 CA HIS A 224 -5.066 -0.720 8.136 1.00 21.25 C ATOM 1298 C HIS A 224 -4.104 0.195 7.385 1.00 42.33 C ATOM 1299 O HIS A 224 -3.049 -0.256 6.936 1.00 51.14 O ATOM 1300 CB HIS A 224 -4.593 -0.890 9.605 1.00 60.54 C ATOM 1301 CG HIS A 224 -4.642 0.378 10.431 1.00 74.13 C ATOM 1302 ND1 HIS A 224 -3.536 1.145 10.756 1.00 24.42 N ATOM 1303 CD2 HIS A 224 -5.703 1.005 10.998 1.00 73.21 C ATOM 1304 CE1 HIS A 224 -3.953 2.182 11.486 1.00 62.14 C ATOM 1305 NE2 HIS A 224 -5.262 2.147 11.663 1.00 41.41 N ATOM 0 H HIS A 224 -4.297 -2.168 6.841 1.00 13.43 H new ATOM 0 HA HIS A 224 -6.068 -0.291 8.159 1.00 21.25 H new ATOM 0 HB2 HIS A 224 -5.212 -1.647 10.087 1.00 60.54 H new ATOM 0 HB3 HIS A 224 -3.571 -1.268 9.603 1.00 60.54 H new ATOM 0 HD2 HIS A 224 -6.729 0.671 10.943 1.00 73.21 H new ATOM 0 HE1 HIS A 224 -3.304 2.950 11.881 1.00 62.14 H new ATOM 0 HE2 HIS A 224 -5.832 2.817 12.180 1.00 41.41 H new ATOM 1313 N TRP A 225 -4.458 1.438 7.203 1.00 21.14 N ATOM 1314 CA TRP A 225 -3.549 2.361 6.577 1.00 51.22 C ATOM 1315 C TRP A 225 -3.253 3.486 7.511 1.00 4.22 C ATOM 1316 O TRP A 225 -3.989 3.720 8.466 1.00 71.42 O ATOM 1317 CB TRP A 225 -4.029 2.884 5.208 1.00 31.20 C ATOM 1318 CG TRP A 225 -5.271 3.739 5.196 1.00 14.00 C ATOM 1319 CD1 TRP A 225 -6.565 3.314 5.176 1.00 54.03 C ATOM 1320 CD2 TRP A 225 -5.324 5.180 5.143 1.00 20.12 C ATOM 1321 NE1 TRP A 225 -7.415 4.389 5.123 1.00 45.41 N ATOM 1322 CE2 TRP A 225 -6.678 5.547 5.099 1.00 62.54 C ATOM 1323 CE3 TRP A 225 -4.354 6.193 5.131 1.00 3.04 C ATOM 1324 CZ2 TRP A 225 -7.088 6.885 5.039 1.00 2.02 C ATOM 1325 CZ3 TRP A 225 -4.765 7.507 5.070 1.00 53.34 C ATOM 1326 CH2 TRP A 225 -6.113 7.849 5.023 1.00 22.02 C ATOM 0 H TRP A 225 -5.358 1.833 7.475 1.00 21.14 H new ATOM 0 HA TRP A 225 -2.635 1.807 6.364 1.00 51.22 H new ATOM 0 HB2 TRP A 225 -3.218 3.460 4.763 1.00 31.20 H new ATOM 0 HB3 TRP A 225 -4.203 2.025 4.560 1.00 31.20 H new ATOM 0 HD1 TRP A 225 -6.877 2.280 5.199 1.00 54.03 H new ATOM 0 HE1 TRP A 225 -8.433 4.336 5.104 1.00 45.41 H new ATOM 0 HE3 TRP A 225 -3.303 5.947 5.169 1.00 3.04 H new ATOM 0 HZ2 TRP A 225 -8.135 7.148 5.006 1.00 2.02 H new ATOM 0 HZ3 TRP A 225 -4.022 8.291 5.058 1.00 53.34 H new ATOM 0 HH2 TRP A 225 -6.396 8.890 4.973 1.00 22.02 H new ATOM 1337 N TYR A 226 -2.199 4.156 7.258 1.00 43.04 N ATOM 1338 CA TYR A 226 -1.766 5.229 8.094 1.00 32.25 C ATOM 1339 C TYR A 226 -1.165 6.320 7.237 1.00 20.20 C ATOM 1340 O TYR A 226 -0.423 6.036 6.289 1.00 42.12 O ATOM 1341 CB TYR A 226 -0.748 4.679 9.114 1.00 11.14 C ATOM 1342 CG TYR A 226 -0.158 5.685 10.074 1.00 54.05 C ATOM 1343 CD1 TYR A 226 -0.909 6.212 11.110 1.00 21.22 C ATOM 1344 CD2 TYR A 226 1.163 6.091 9.951 1.00 20.25 C ATOM 1345 CE1 TYR A 226 -0.363 7.119 11.992 1.00 52.53 C ATOM 1346 CE2 TYR A 226 1.720 6.991 10.831 1.00 63.41 C ATOM 1347 CZ TYR A 226 0.954 7.502 11.850 1.00 2.23 C ATOM 1348 OH TYR A 226 1.504 8.394 12.736 1.00 21.44 O ATOM 0 H TYR A 226 -1.595 3.981 6.455 1.00 43.04 H new ATOM 0 HA TYR A 226 -2.605 5.659 8.641 1.00 32.25 H new ATOM 0 HB2 TYR A 226 -1.234 3.895 9.695 1.00 11.14 H new ATOM 0 HB3 TYR A 226 0.068 4.210 8.565 1.00 11.14 H new ATOM 0 HD1 TYR A 226 -1.938 5.908 11.229 1.00 21.22 H new ATOM 0 HD2 TYR A 226 1.766 5.693 9.149 1.00 20.25 H new ATOM 0 HE1 TYR A 226 -0.964 7.528 12.791 1.00 52.53 H new ATOM 0 HE2 TYR A 226 2.751 7.293 10.721 1.00 63.41 H new ATOM 0 HH TYR A 226 2.440 8.558 12.497 1.00 21.44 H new ATOM 1358 N ALA A 227 -1.532 7.543 7.516 1.00 31.13 N ATOM 1359 CA ALA A 227 -0.970 8.672 6.828 1.00 54.34 C ATOM 1360 C ALA A 227 0.250 9.093 7.588 1.00 43.12 C ATOM 1361 O ALA A 227 0.196 9.289 8.816 1.00 1.32 O ATOM 1362 CB ALA A 227 -1.970 9.817 6.727 1.00 53.12 C ATOM 0 H ALA A 227 -2.226 7.783 8.224 1.00 31.13 H new ATOM 0 HA ALA A 227 -0.711 8.398 5.805 1.00 54.34 H new ATOM 0 HB1 ALA A 227 -1.512 10.655 6.201 1.00 53.12 H new ATOM 0 HB2 ALA A 227 -2.851 9.483 6.180 1.00 53.12 H new ATOM 0 HB3 ALA A 227 -2.263 10.134 7.728 1.00 53.12 H new ATOM 1368 N GLY A 228 1.319 9.220 6.894 1.00 34.24 N ATOM 1369 CA GLY A 228 2.568 9.487 7.507 1.00 54.40 C ATOM 1370 C GLY A 228 3.463 8.291 7.379 1.00 74.12 C ATOM 1371 O GLY A 228 2.998 7.156 7.480 1.00 33.34 O ATOM 0 H GLY A 228 1.354 9.141 5.878 1.00 34.24 H new ATOM 0 HA2 GLY A 228 3.035 10.354 7.039 1.00 54.40 H new ATOM 0 HA3 GLY A 228 2.422 9.732 8.559 1.00 54.40 H new