USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 944 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 83 HIS : no HE2:sc= -0.0885 K(o=-1.3,f=-2.8) USER MOD Set 1.2: A 85 MET CE :methyl 174:sc= -1.19 (180deg=-1.04) USER MOD Set 2.1: A 48 THR OG1 : rot 69:sc= 0.176 USER MOD Set 2.2: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 18:sc= 1.21 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 74:sc= 1.06 USER MOD Single : A 24 ASN : amide:sc= 0.598 K(o=0.6,f=-5.7!) USER MOD Single : A 37 THR OG1 : rot 172:sc= -0.79 USER MOD Single : A 46 HIS : no HD1:sc= -0.432 K(o=-0.43,f=-3.6!) USER MOD Single : A 50 MET CE :methyl 175:sc= 0 (180deg=-0.0313) USER MOD Single : A 56 LYS NZ :NH3+ -135:sc= -0.0575 (180deg=-1.7!) USER MOD Single : A 57 LYS NZ :NH3+ 148:sc= 0.402 (180deg=-1.02!) USER MOD Single : A 59 MET CE :methyl 162:sc= 0 (180deg=-0.472) USER MOD Single : A 72 LYS NZ :NH3+ -111:sc= 0.199! (180deg=-0.395!) USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= 0.69 (180deg=0.231!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 2.4 (180deg=2.18) USER MOD Single : A 94 LYS NZ :NH3+ -165:sc= 1.77 (180deg=1.44) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 10.576 -4.335 -3.282 1.00 2.54 N ATOM 56 CA GLU A 5 11.132 -4.316 -1.937 1.00 1.14 C ATOM 57 C GLU A 5 10.075 -3.781 -0.955 1.00 0.90 C ATOM 58 O GLU A 5 9.744 -2.592 -0.933 1.00 1.38 O ATOM 59 CB GLU A 5 12.522 -3.629 -1.898 1.00 2.05 C ATOM 60 CG GLU A 5 12.714 -2.165 -2.358 1.00 3.58 C ATOM 61 CD GLU A 5 12.659 -1.896 -3.873 1.00 5.07 C ATOM 62 OE1 GLU A 5 12.333 -2.815 -4.654 1.00 5.51 O ATOM 63 OE2 GLU A 5 12.973 -0.766 -4.310 1.00 6.41 O ATOM 0 HA GLU A 5 11.357 -5.327 -1.598 1.00 1.14 H new ATOM 0 HB2 GLU A 5 12.875 -3.686 -0.868 1.00 2.05 H new ATOM 0 HB3 GLU A 5 13.194 -4.241 -2.500 1.00 2.05 H new ATOM 0 HG2 GLU A 5 11.948 -1.556 -1.878 1.00 3.58 H new ATOM 0 HG3 GLU A 5 13.678 -1.817 -1.987 1.00 3.58 H new ATOM 70 N GLY A 6 9.471 -4.710 -0.207 1.00 0.93 N ATOM 71 CA GLY A 6 8.288 -4.485 0.622 1.00 0.93 C ATOM 72 C GLY A 6 8.012 -5.607 1.620 1.00 0.91 C ATOM 73 O GLY A 6 8.639 -6.661 1.578 1.00 1.05 O ATOM 0 H GLY A 6 9.806 -5.672 -0.162 1.00 0.93 H new ATOM 0 HA2 GLY A 6 8.410 -3.549 1.167 1.00 0.93 H new ATOM 0 HA3 GLY A 6 7.419 -4.366 -0.026 1.00 0.93 H new ATOM 77 N TRP A 7 7.025 -5.378 2.487 1.00 0.85 N ATOM 78 CA TRP A 7 6.497 -6.346 3.452 1.00 0.78 C ATOM 79 C TRP A 7 5.081 -5.943 3.903 1.00 0.79 C ATOM 80 O TRP A 7 4.759 -4.762 4.034 1.00 0.99 O ATOM 81 CB TRP A 7 7.448 -6.505 4.654 1.00 0.89 C ATOM 82 CG TRP A 7 7.597 -5.308 5.548 1.00 1.04 C ATOM 83 CD1 TRP A 7 7.035 -5.188 6.770 1.00 1.12 C ATOM 84 CD2 TRP A 7 8.313 -4.051 5.320 1.00 1.18 C ATOM 85 NE1 TRP A 7 7.345 -3.959 7.309 1.00 1.26 N ATOM 86 CE2 TRP A 7 8.083 -3.190 6.435 1.00 1.29 C ATOM 87 CE3 TRP A 7 9.119 -3.535 4.282 1.00 1.27 C ATOM 88 CZ2 TRP A 7 8.566 -1.874 6.488 1.00 1.45 C ATOM 89 CZ3 TRP A 7 9.620 -2.220 4.326 1.00 1.46 C ATOM 90 CH2 TRP A 7 9.335 -1.385 5.421 1.00 1.54 C ATOM 0 H TRP A 7 6.551 -4.476 2.539 1.00 0.85 H new ATOM 0 HA TRP A 7 6.428 -7.317 2.961 1.00 0.78 H new ATOM 0 HB2 TRP A 7 7.098 -7.342 5.258 1.00 0.89 H new ATOM 0 HB3 TRP A 7 8.434 -6.775 4.276 1.00 0.89 H new ATOM 0 HD1 TRP A 7 6.432 -5.943 7.253 1.00 1.12 H new ATOM 0 HE1 TRP A 7 7.063 -3.655 8.241 1.00 1.26 H new ATOM 0 HE3 TRP A 7 9.356 -4.163 3.436 1.00 1.27 H new ATOM 0 HZ2 TRP A 7 8.349 -1.245 7.339 1.00 1.45 H new ATOM 0 HZ3 TRP A 7 10.227 -1.850 3.513 1.00 1.46 H new ATOM 0 HH2 TRP A 7 9.707 -0.371 5.441 1.00 1.54 H new ATOM 101 N VAL A 8 4.216 -6.921 4.155 1.00 0.71 N ATOM 102 CA VAL A 8 2.862 -6.723 4.704 1.00 0.79 C ATOM 103 C VAL A 8 2.918 -6.807 6.231 1.00 0.91 C ATOM 104 O VAL A 8 3.690 -7.587 6.776 1.00 1.03 O ATOM 105 CB VAL A 8 1.864 -7.738 4.101 1.00 0.85 C ATOM 106 CG1 VAL A 8 0.433 -7.580 4.645 1.00 0.98 C ATOM 107 CG2 VAL A 8 1.830 -7.569 2.575 1.00 0.82 C ATOM 0 H VAL A 8 4.435 -7.902 3.981 1.00 0.71 H new ATOM 0 HA VAL A 8 2.500 -5.733 4.428 1.00 0.79 H new ATOM 0 HB VAL A 8 2.214 -8.730 4.387 1.00 0.85 H new ATOM 0 HG11 VAL A 8 -0.217 -8.322 4.181 1.00 0.98 H new ATOM 0 HG12 VAL A 8 0.436 -7.725 5.725 1.00 0.98 H new ATOM 0 HG13 VAL A 8 0.064 -6.581 4.414 1.00 0.98 H new ATOM 0 HG21 VAL A 8 1.127 -8.283 2.145 1.00 0.82 H new ATOM 0 HG22 VAL A 8 1.514 -6.555 2.328 1.00 0.82 H new ATOM 0 HG23 VAL A 8 2.825 -7.748 2.167 1.00 0.82 H new ATOM 117 N ARG A 9 2.131 -5.994 6.937 1.00 0.91 N ATOM 118 CA ARG A 9 2.188 -5.903 8.394 1.00 0.98 C ATOM 119 C ARG A 9 1.668 -7.177 9.079 1.00 1.00 C ATOM 120 O ARG A 9 0.473 -7.475 9.039 1.00 1.47 O ATOM 121 CB ARG A 9 1.424 -4.671 8.899 1.00 1.04 C ATOM 122 CG ARG A 9 1.958 -4.286 10.287 1.00 1.33 C ATOM 123 CD ARG A 9 0.989 -3.426 11.100 1.00 1.98 C ATOM 124 NE ARG A 9 1.626 -3.048 12.367 1.00 2.50 N ATOM 125 CZ ARG A 9 1.123 -2.952 13.585 1.00 3.12 C ATOM 126 NH1 ARG A 9 -0.107 -3.297 13.902 1.00 3.55 N ATOM 127 NH2 ARG A 9 1.924 -2.492 14.515 1.00 4.02 N ATOM 0 H ARG A 9 1.436 -5.380 6.513 1.00 0.91 H new ATOM 0 HA ARG A 9 3.239 -5.797 8.662 1.00 0.98 H new ATOM 0 HB2 ARG A 9 1.548 -3.840 8.204 1.00 1.04 H new ATOM 0 HB3 ARG A 9 0.357 -4.886 8.952 1.00 1.04 H new ATOM 0 HG2 ARG A 9 2.181 -5.195 10.846 1.00 1.33 H new ATOM 0 HG3 ARG A 9 2.898 -3.746 10.169 1.00 1.33 H new ATOM 0 HD2 ARG A 9 0.715 -2.534 10.537 1.00 1.98 H new ATOM 0 HD3 ARG A 9 0.068 -3.977 11.292 1.00 1.98 H new ATOM 0 HE ARG A 9 2.618 -2.823 12.296 1.00 2.50 H new ATOM 0 HH11 ARG A 9 -0.734 -3.664 13.186 1.00 3.55 H new ATOM 0 HH12 ARG A 9 -0.433 -3.197 14.863 1.00 3.55 H new ATOM 0 HH21 ARG A 9 2.881 -2.230 14.280 1.00 4.02 H new ATOM 0 HH22 ARG A 9 1.590 -2.396 15.474 1.00 4.02 H new ATOM 141 N PHE A 10 2.559 -7.850 9.813 1.00 1.25 N ATOM 142 CA PHE A 10 2.204 -8.832 10.842 1.00 1.44 C ATOM 143 C PHE A 10 1.335 -8.167 11.928 1.00 1.42 C ATOM 144 O PHE A 10 1.653 -7.073 12.405 1.00 1.73 O ATOM 145 CB PHE A 10 3.495 -9.472 11.397 1.00 1.85 C ATOM 146 CG PHE A 10 3.453 -9.862 12.867 1.00 2.34 C ATOM 147 CD1 PHE A 10 3.671 -8.888 13.864 1.00 3.60 C ATOM 148 CD2 PHE A 10 3.155 -11.182 13.249 1.00 2.24 C ATOM 149 CE1 PHE A 10 3.532 -9.220 15.222 1.00 4.03 C ATOM 150 CE2 PHE A 10 3.008 -11.514 14.606 1.00 2.59 C ATOM 151 CZ PHE A 10 3.183 -10.528 15.591 1.00 3.23 C ATOM 0 H PHE A 10 3.566 -7.725 9.707 1.00 1.25 H new ATOM 0 HA PHE A 10 1.602 -9.636 10.418 1.00 1.44 H new ATOM 0 HB2 PHE A 10 3.720 -10.362 10.809 1.00 1.85 H new ATOM 0 HB3 PHE A 10 4.319 -8.774 11.248 1.00 1.85 H new ATOM 0 HD1 PHE A 10 3.946 -7.882 13.582 1.00 3.60 H new ATOM 0 HD2 PHE A 10 3.038 -11.946 12.494 1.00 2.24 H new ATOM 0 HE1 PHE A 10 3.694 -8.469 15.981 1.00 4.03 H new ATOM 0 HE2 PHE A 10 2.761 -12.526 14.892 1.00 2.59 H new ATOM 0 HZ PHE A 10 3.049 -10.777 16.633 1.00 3.23 H new ATOM 161 N SER A 11 0.237 -8.799 12.352 1.00 1.35 N ATOM 162 CA SER A 11 -0.662 -8.272 13.378 1.00 1.44 C ATOM 163 C SER A 11 -1.641 -9.342 13.911 1.00 1.65 C ATOM 164 O SER A 11 -2.149 -10.139 13.121 1.00 1.76 O ATOM 165 CB SER A 11 -1.458 -7.097 12.791 1.00 1.43 C ATOM 166 OG SER A 11 -0.691 -5.900 12.819 1.00 2.28 O ATOM 0 H SER A 11 -0.055 -9.705 11.985 1.00 1.35 H new ATOM 0 HA SER A 11 -0.051 -7.944 14.219 1.00 1.44 H new ATOM 0 HB2 SER A 11 -1.747 -7.325 11.765 1.00 1.43 H new ATOM 0 HB3 SER A 11 -2.379 -6.957 13.358 1.00 1.43 H new ATOM 0 HG SER A 11 0.256 -6.121 12.938 1.00 2.28 H new ATOM 172 N PRO A 12 -1.930 -9.373 15.229 1.00 1.98 N ATOM 173 CA PRO A 12 -2.921 -10.262 15.833 1.00 2.32 C ATOM 174 C PRO A 12 -4.292 -9.561 15.913 1.00 2.24 C ATOM 175 O PRO A 12 -4.753 -9.195 16.994 1.00 3.11 O ATOM 176 CB PRO A 12 -2.328 -10.587 17.210 1.00 2.80 C ATOM 177 CG PRO A 12 -1.684 -9.260 17.611 1.00 2.74 C ATOM 178 CD PRO A 12 -1.173 -8.703 16.282 1.00 2.28 C ATOM 0 HA PRO A 12 -3.108 -11.170 15.260 1.00 2.32 H new ATOM 0 HB2 PRO A 12 -3.095 -10.897 17.920 1.00 2.80 H new ATOM 0 HB3 PRO A 12 -1.597 -11.394 17.157 1.00 2.80 H new ATOM 0 HG2 PRO A 12 -2.404 -8.588 18.079 1.00 2.74 H new ATOM 0 HG3 PRO A 12 -0.873 -9.406 18.325 1.00 2.74 H new ATOM 0 HD2 PRO A 12 -1.315 -7.623 16.234 1.00 2.28 H new ATOM 0 HD3 PRO A 12 -0.105 -8.889 16.169 1.00 2.28 H new ATOM 186 N GLY A 13 -4.937 -9.323 14.764 1.00 1.48 N ATOM 187 CA GLY A 13 -6.206 -8.580 14.712 1.00 1.38 C ATOM 188 C GLY A 13 -7.018 -8.734 13.416 1.00 1.22 C ATOM 189 O GLY A 13 -6.601 -9.477 12.531 1.00 1.42 O ATOM 0 H GLY A 13 -4.600 -9.635 13.853 1.00 1.48 H new ATOM 0 HA2 GLY A 13 -6.827 -8.900 15.548 1.00 1.38 H new ATOM 0 HA3 GLY A 13 -5.992 -7.522 14.861 1.00 1.38 H new ATOM 193 N PRO A 14 -8.168 -8.032 13.307 1.00 1.14 N ATOM 194 CA PRO A 14 -9.041 -8.004 12.127 1.00 1.21 C ATOM 195 C PRO A 14 -8.630 -6.942 11.087 1.00 1.03 C ATOM 196 O PRO A 14 -9.294 -6.799 10.059 1.00 1.20 O ATOM 197 CB PRO A 14 -10.423 -7.682 12.705 1.00 1.43 C ATOM 198 CG PRO A 14 -10.085 -6.698 13.824 1.00 1.37 C ATOM 199 CD PRO A 14 -8.776 -7.254 14.383 1.00 1.27 C ATOM 0 HA PRO A 14 -8.997 -8.948 11.583 1.00 1.21 H new ATOM 0 HB2 PRO A 14 -11.083 -7.239 11.959 1.00 1.43 H new ATOM 0 HB3 PRO A 14 -10.923 -8.573 13.084 1.00 1.43 H new ATOM 0 HG2 PRO A 14 -9.964 -5.683 13.446 1.00 1.37 H new ATOM 0 HG3 PRO A 14 -10.867 -6.665 14.583 1.00 1.37 H new ATOM 0 HD2 PRO A 14 -8.115 -6.447 14.701 1.00 1.27 H new ATOM 0 HD3 PRO A 14 -8.961 -7.878 15.257 1.00 1.27 H new ATOM 207 N ASN A 15 -7.565 -6.179 11.355 1.00 0.90 N ATOM 208 CA ASN A 15 -6.985 -5.181 10.462 1.00 0.84 C ATOM 209 C ASN A 15 -5.450 -5.298 10.403 1.00 0.78 C ATOM 210 O ASN A 15 -4.785 -5.747 11.336 1.00 0.95 O ATOM 211 CB ASN A 15 -7.443 -3.770 10.870 1.00 1.18 C ATOM 212 CG ASN A 15 -6.972 -3.285 12.238 1.00 1.96 C ATOM 213 OD1 ASN A 15 -6.480 -4.021 13.080 1.00 2.66 O ATOM 214 ND2 ASN A 15 -7.134 -2.003 12.511 1.00 2.43 N ATOM 0 H ASN A 15 -7.064 -6.247 12.241 1.00 0.90 H new ATOM 0 HA ASN A 15 -7.348 -5.370 9.452 1.00 0.84 H new ATOM 0 HB2 ASN A 15 -7.095 -3.064 10.116 1.00 1.18 H new ATOM 0 HB3 ASN A 15 -8.533 -3.744 10.852 1.00 1.18 H new ATOM 0 HD21 ASN A 15 -6.849 -1.635 13.419 1.00 2.43 H new ATOM 0 HD22 ASN A 15 -7.544 -1.381 11.814 1.00 2.43 H new ATOM 221 N ALA A 16 -4.889 -4.874 9.270 1.00 0.70 N ATOM 222 CA ALA A 16 -3.466 -4.867 8.937 1.00 0.84 C ATOM 223 C ALA A 16 -3.185 -3.807 7.853 1.00 0.65 C ATOM 224 O ALA A 16 -4.058 -3.001 7.527 1.00 0.66 O ATOM 225 CB ALA A 16 -3.044 -6.292 8.537 1.00 1.16 C ATOM 0 H ALA A 16 -5.457 -4.501 8.509 1.00 0.70 H new ATOM 0 HA ALA A 16 -2.860 -4.582 9.797 1.00 0.84 H new ATOM 0 HB1 ALA A 16 -1.983 -6.300 8.286 1.00 1.16 H new ATOM 0 HB2 ALA A 16 -3.225 -6.972 9.369 1.00 1.16 H new ATOM 0 HB3 ALA A 16 -3.624 -6.614 7.672 1.00 1.16 H new ATOM 231 N ALA A 17 -1.978 -3.796 7.286 1.00 0.99 N ATOM 232 CA ALA A 17 -1.540 -2.863 6.246 1.00 0.90 C ATOM 233 C ALA A 17 -0.568 -3.578 5.295 1.00 0.91 C ATOM 234 O ALA A 17 0.123 -4.480 5.754 1.00 1.08 O ATOM 235 CB ALA A 17 -0.845 -1.674 6.923 1.00 0.98 C ATOM 0 H ALA A 17 -1.251 -4.462 7.548 1.00 0.99 H new ATOM 0 HA ALA A 17 -2.393 -2.507 5.668 1.00 0.90 H new ATOM 0 HB1 ALA A 17 -0.511 -0.967 6.163 1.00 0.98 H new ATOM 0 HB2 ALA A 17 -1.544 -1.179 7.597 1.00 0.98 H new ATOM 0 HB3 ALA A 17 0.015 -2.030 7.490 1.00 0.98 H new ATOM 241 N ALA A 18 -0.447 -3.179 4.027 1.00 0.88 N ATOM 242 CA ALA A 18 0.657 -3.584 3.148 1.00 0.87 C ATOM 243 C ALA A 18 1.576 -2.403 2.801 1.00 0.73 C ATOM 244 O ALA A 18 1.098 -1.310 2.478 1.00 0.82 O ATOM 245 CB ALA A 18 0.123 -4.254 1.877 1.00 1.09 C ATOM 0 H ALA A 18 -1.119 -2.559 3.575 1.00 0.88 H new ATOM 0 HA ALA A 18 1.258 -4.311 3.694 1.00 0.87 H new ATOM 0 HB1 ALA A 18 0.959 -4.546 1.241 1.00 1.09 H new ATOM 0 HB2 ALA A 18 -0.454 -5.139 2.147 1.00 1.09 H new ATOM 0 HB3 ALA A 18 -0.516 -3.555 1.338 1.00 1.09 H new ATOM 251 N TYR A 19 2.886 -2.668 2.849 1.00 0.70 N ATOM 252 CA TYR A 19 3.967 -1.737 2.510 1.00 0.82 C ATOM 253 C TYR A 19 4.814 -2.301 1.360 1.00 0.91 C ATOM 254 O TYR A 19 5.208 -3.463 1.397 1.00 1.15 O ATOM 255 CB TYR A 19 4.887 -1.527 3.733 1.00 0.88 C ATOM 256 CG TYR A 19 4.209 -1.445 5.089 1.00 0.80 C ATOM 257 CD1 TYR A 19 3.219 -0.478 5.351 1.00 1.60 C ATOM 258 CD2 TYR A 19 4.569 -2.359 6.096 1.00 2.06 C ATOM 259 CE1 TYR A 19 2.607 -0.418 6.617 1.00 1.72 C ATOM 260 CE2 TYR A 19 3.971 -2.307 7.366 1.00 1.98 C ATOM 261 CZ TYR A 19 2.993 -1.324 7.633 1.00 0.82 C ATOM 262 OH TYR A 19 2.415 -1.260 8.865 1.00 0.96 O ATOM 0 H TYR A 19 3.238 -3.581 3.139 1.00 0.70 H new ATOM 0 HA TYR A 19 3.519 -0.790 2.210 1.00 0.82 H new ATOM 0 HB2 TYR A 19 5.607 -2.345 3.761 1.00 0.88 H new ATOM 0 HB3 TYR A 19 5.453 -0.608 3.579 1.00 0.88 H new ATOM 0 HD1 TYR A 19 2.929 0.219 4.579 1.00 1.60 H new ATOM 0 HD2 TYR A 19 5.316 -3.111 5.890 1.00 2.06 H new ATOM 0 HE1 TYR A 19 1.843 0.320 6.813 1.00 1.72 H new ATOM 0 HE2 TYR A 19 4.257 -3.013 8.132 1.00 1.98 H new ATOM 0 HH TYR A 19 1.499 -0.924 8.779 1.00 0.96 H new ATOM 272 N LEU A 20 5.158 -1.494 0.357 1.00 0.79 N ATOM 273 CA LEU A 20 5.962 -1.933 -0.790 1.00 0.83 C ATOM 274 C LEU A 20 6.519 -0.765 -1.589 1.00 0.76 C ATOM 275 O LEU A 20 5.901 0.299 -1.644 1.00 0.72 O ATOM 276 CB LEU A 20 5.205 -2.925 -1.711 1.00 0.93 C ATOM 277 CG LEU A 20 4.049 -2.346 -2.557 1.00 0.98 C ATOM 278 CD1 LEU A 20 3.661 -3.363 -3.633 1.00 1.62 C ATOM 279 CD2 LEU A 20 2.796 -2.011 -1.732 1.00 1.27 C ATOM 0 H LEU A 20 4.887 -0.512 0.314 1.00 0.79 H new ATOM 0 HA LEU A 20 6.807 -2.473 -0.363 1.00 0.83 H new ATOM 0 HB2 LEU A 20 5.928 -3.379 -2.389 1.00 0.93 H new ATOM 0 HB3 LEU A 20 4.804 -3.726 -1.090 1.00 0.93 H new ATOM 0 HG LEU A 20 4.413 -1.414 -2.990 1.00 0.98 H new ATOM 0 HD11 LEU A 20 2.845 -2.962 -4.235 1.00 1.62 H new ATOM 0 HD12 LEU A 20 4.521 -3.562 -4.273 1.00 1.62 H new ATOM 0 HD13 LEU A 20 3.340 -4.290 -3.158 1.00 1.62 H new ATOM 0 HD21 LEU A 20 2.025 -1.609 -2.389 1.00 1.27 H new ATOM 0 HD22 LEU A 20 2.426 -2.915 -1.249 1.00 1.27 H new ATOM 0 HD23 LEU A 20 3.048 -1.271 -0.973 1.00 1.27 H new ATOM 291 N THR A 21 7.659 -1.001 -2.239 1.00 0.84 N ATOM 292 CA THR A 21 8.315 -0.037 -3.119 1.00 0.83 C ATOM 293 C THR A 21 7.923 -0.298 -4.558 1.00 0.93 C ATOM 294 O THR A 21 8.549 -1.088 -5.261 1.00 1.61 O ATOM 295 CB THR A 21 9.824 -0.053 -2.916 1.00 1.08 C ATOM 296 OG1 THR A 21 10.087 0.021 -1.539 1.00 1.12 O ATOM 297 CG2 THR A 21 10.466 1.159 -3.584 1.00 1.44 C ATOM 0 H THR A 21 8.161 -1.886 -2.166 1.00 0.84 H new ATOM 0 HA THR A 21 7.978 0.967 -2.863 1.00 0.83 H new ATOM 0 HB THR A 21 10.231 -0.965 -3.352 1.00 1.08 H new ATOM 0 HG1 THR A 21 9.879 -0.840 -1.120 1.00 1.12 H new ATOM 0 HG21 THR A 21 11.545 1.131 -3.429 1.00 1.44 H new ATOM 0 HG22 THR A 21 10.253 1.141 -4.653 1.00 1.44 H new ATOM 0 HG23 THR A 21 10.060 2.072 -3.148 1.00 1.44 H new ATOM 305 N LEU A 22 6.868 0.382 -5.003 1.00 0.95 N ATOM 306 CA LEU A 22 6.438 0.348 -6.397 1.00 0.99 C ATOM 307 C LEU A 22 7.314 1.305 -7.216 1.00 0.83 C ATOM 308 O LEU A 22 7.564 2.440 -6.801 1.00 0.87 O ATOM 309 CB LEU A 22 4.923 0.628 -6.454 1.00 1.27 C ATOM 310 CG LEU A 22 4.212 0.412 -7.810 1.00 1.47 C ATOM 311 CD1 LEU A 22 4.311 1.640 -8.722 1.00 2.06 C ATOM 312 CD2 LEU A 22 4.676 -0.855 -8.549 1.00 2.27 C ATOM 0 H LEU A 22 6.288 0.972 -4.406 1.00 0.95 H new ATOM 0 HA LEU A 22 6.577 -0.633 -6.852 1.00 0.99 H new ATOM 0 HB2 LEU A 22 4.435 -0.005 -5.713 1.00 1.27 H new ATOM 0 HB3 LEU A 22 4.759 1.661 -6.148 1.00 1.27 H new ATOM 0 HG LEU A 22 3.162 0.263 -7.558 1.00 1.47 H new ATOM 0 HD11 LEU A 22 3.796 1.438 -9.661 1.00 2.06 H new ATOM 0 HD12 LEU A 22 3.848 2.496 -8.231 1.00 2.06 H new ATOM 0 HD13 LEU A 22 5.359 1.861 -8.923 1.00 2.06 H new ATOM 0 HD21 LEU A 22 4.137 -0.944 -9.492 1.00 2.27 H new ATOM 0 HD22 LEU A 22 5.746 -0.789 -8.748 1.00 2.27 H new ATOM 0 HD23 LEU A 22 4.475 -1.731 -7.932 1.00 2.27 H new ATOM 324 N GLU A 23 7.785 0.827 -8.366 1.00 0.85 N ATOM 325 CA GLU A 23 8.728 1.498 -9.254 1.00 0.91 C ATOM 326 C GLU A 23 8.174 1.534 -10.680 1.00 0.91 C ATOM 327 O GLU A 23 7.502 0.599 -11.116 1.00 1.01 O ATOM 328 CB GLU A 23 10.093 0.786 -9.181 1.00 1.25 C ATOM 329 CG GLU A 23 10.112 -0.618 -9.816 1.00 1.33 C ATOM 330 CD GLU A 23 11.271 -1.494 -9.337 1.00 1.99 C ATOM 331 OE1 GLU A 23 12.350 -0.983 -8.949 1.00 2.79 O ATOM 332 OE2 GLU A 23 11.105 -2.728 -9.283 1.00 2.75 O ATOM 0 H GLU A 23 7.503 -0.087 -8.721 1.00 0.85 H new ATOM 0 HA GLU A 23 8.869 2.531 -8.937 1.00 0.91 H new ATOM 0 HB2 GLU A 23 10.840 1.406 -9.677 1.00 1.25 H new ATOM 0 HB3 GLU A 23 10.391 0.703 -8.136 1.00 1.25 H new ATOM 0 HG2 GLU A 23 9.171 -1.121 -9.592 1.00 1.33 H new ATOM 0 HG3 GLU A 23 10.169 -0.516 -10.900 1.00 1.33 H new ATOM 339 N ASN A 24 8.467 2.607 -11.413 1.00 0.94 N ATOM 340 CA ASN A 24 8.052 2.777 -12.799 1.00 0.94 C ATOM 341 C ASN A 24 9.265 2.628 -13.736 1.00 0.94 C ATOM 342 O ASN A 24 10.079 3.548 -13.816 1.00 1.03 O ATOM 343 CB ASN A 24 7.382 4.150 -12.943 1.00 1.01 C ATOM 344 CG ASN A 24 6.714 4.312 -14.303 1.00 0.97 C ATOM 345 OD1 ASN A 24 6.956 3.561 -15.238 1.00 1.13 O ATOM 346 ND2 ASN A 24 5.842 5.286 -14.444 1.00 0.88 N ATOM 0 H ASN A 24 9.008 3.393 -11.052 1.00 0.94 H new ATOM 0 HA ASN A 24 7.333 2.007 -13.081 1.00 0.94 H new ATOM 0 HB2 ASN A 24 6.639 4.277 -12.155 1.00 1.01 H new ATOM 0 HB3 ASN A 24 8.127 4.934 -12.808 1.00 1.01 H new ATOM 0 HD21 ASN A 24 5.364 5.418 -15.336 1.00 0.88 H new ATOM 0 HD22 ASN A 24 5.643 5.910 -13.662 1.00 0.88 H new ATOM 353 N PRO A 25 9.420 1.497 -14.445 1.00 0.93 N ATOM 354 CA PRO A 25 10.498 1.320 -15.415 1.00 0.96 C ATOM 355 C PRO A 25 10.199 1.960 -16.781 1.00 1.00 C ATOM 356 O PRO A 25 11.113 2.097 -17.594 1.00 1.05 O ATOM 357 CB PRO A 25 10.647 -0.201 -15.540 1.00 0.98 C ATOM 358 CG PRO A 25 9.218 -0.702 -15.322 1.00 0.98 C ATOM 359 CD PRO A 25 8.673 0.258 -14.270 1.00 0.94 C ATOM 0 HA PRO A 25 11.409 1.816 -15.081 1.00 0.96 H new ATOM 0 HB2 PRO A 25 11.032 -0.490 -16.518 1.00 0.98 H new ATOM 0 HB3 PRO A 25 11.334 -0.602 -14.795 1.00 0.98 H new ATOM 0 HG2 PRO A 25 8.634 -0.667 -16.241 1.00 0.98 H new ATOM 0 HG3 PRO A 25 9.201 -1.734 -14.973 1.00 0.98 H new ATOM 0 HD2 PRO A 25 7.604 0.422 -14.406 1.00 0.94 H new ATOM 0 HD3 PRO A 25 8.809 -0.143 -13.266 1.00 0.94 H new ATOM 367 N GLY A 26 8.947 2.359 -17.044 1.00 0.99 N ATOM 368 CA GLY A 26 8.515 2.915 -18.325 1.00 1.05 C ATOM 369 C GLY A 26 8.828 4.401 -18.472 1.00 1.07 C ATOM 370 O GLY A 26 9.514 5.000 -17.646 1.00 1.21 O ATOM 0 H GLY A 26 8.195 2.302 -16.357 1.00 0.99 H new ATOM 0 HA2 GLY A 26 8.999 2.367 -19.133 1.00 1.05 H new ATOM 0 HA3 GLY A 26 7.441 2.764 -18.436 1.00 1.05 H new ATOM 374 N ASP A 27 8.345 4.972 -19.572 1.00 1.01 N ATOM 375 CA ASP A 27 8.615 6.352 -20.011 1.00 1.08 C ATOM 376 C ASP A 27 7.359 7.247 -19.939 1.00 1.09 C ATOM 377 O ASP A 27 7.387 8.413 -20.326 1.00 1.12 O ATOM 378 CB ASP A 27 9.234 6.287 -21.416 1.00 1.19 C ATOM 379 CG ASP A 27 10.585 5.563 -21.360 1.00 1.69 C ATOM 380 OD1 ASP A 27 11.613 6.234 -21.141 1.00 2.75 O ATOM 381 OD2 ASP A 27 10.604 4.310 -21.354 1.00 2.31 O ATOM 0 H ASP A 27 7.729 4.472 -20.213 1.00 1.01 H new ATOM 0 HA ASP A 27 9.323 6.828 -19.332 1.00 1.08 H new ATOM 0 HB2 ASP A 27 8.560 5.765 -22.096 1.00 1.19 H new ATOM 0 HB3 ASP A 27 9.368 7.294 -21.811 1.00 1.19 H new ATOM 386 N LEU A 28 6.262 6.711 -19.388 1.00 1.14 N ATOM 387 CA LEU A 28 4.995 7.389 -19.119 1.00 1.14 C ATOM 388 C LEU A 28 4.575 7.160 -17.650 1.00 0.98 C ATOM 389 O LEU A 28 5.092 6.236 -17.018 1.00 0.92 O ATOM 390 CB LEU A 28 3.972 6.918 -20.173 1.00 1.25 C ATOM 391 CG LEU A 28 3.546 5.431 -20.138 1.00 1.30 C ATOM 392 CD1 LEU A 28 2.494 5.139 -19.055 1.00 1.73 C ATOM 393 CD2 LEU A 28 2.947 5.054 -21.501 1.00 1.36 C ATOM 0 H LEU A 28 6.238 5.732 -19.102 1.00 1.14 H new ATOM 0 HA LEU A 28 5.076 8.472 -19.218 1.00 1.14 H new ATOM 0 HB2 LEU A 28 3.075 7.528 -20.067 1.00 1.25 H new ATOM 0 HB3 LEU A 28 4.385 7.127 -21.160 1.00 1.25 H new ATOM 0 HG LEU A 28 4.436 4.845 -19.909 1.00 1.30 H new ATOM 0 HD11 LEU A 28 2.233 4.081 -19.077 1.00 1.73 H new ATOM 0 HD12 LEU A 28 2.900 5.392 -18.076 1.00 1.73 H new ATOM 0 HD13 LEU A 28 1.602 5.737 -19.244 1.00 1.73 H new ATOM 0 HD21 LEU A 28 2.643 4.007 -21.488 1.00 1.36 H new ATOM 0 HD22 LEU A 28 2.079 5.681 -21.703 1.00 1.36 H new ATOM 0 HD23 LEU A 28 3.693 5.205 -22.281 1.00 1.36 H new ATOM 405 N PRO A 29 3.674 7.974 -17.064 1.00 0.97 N ATOM 406 CA PRO A 29 3.399 7.931 -15.630 1.00 0.89 C ATOM 407 C PRO A 29 2.424 6.802 -15.264 1.00 0.83 C ATOM 408 O PRO A 29 1.474 6.507 -15.988 1.00 0.89 O ATOM 409 CB PRO A 29 2.836 9.309 -15.282 1.00 0.99 C ATOM 410 CG PRO A 29 2.137 9.739 -16.571 1.00 1.11 C ATOM 411 CD PRO A 29 2.953 9.074 -17.686 1.00 1.12 C ATOM 0 HA PRO A 29 4.302 7.714 -15.059 1.00 0.89 H new ATOM 0 HB2 PRO A 29 2.140 9.259 -14.444 1.00 0.99 H new ATOM 0 HB3 PRO A 29 3.625 10.006 -15.000 1.00 0.99 H new ATOM 0 HG2 PRO A 29 1.098 9.410 -16.589 1.00 1.11 H new ATOM 0 HG3 PRO A 29 2.130 10.824 -16.677 1.00 1.11 H new ATOM 0 HD2 PRO A 29 2.302 8.712 -18.481 1.00 1.12 H new ATOM 0 HD3 PRO A 29 3.644 9.785 -18.139 1.00 1.12 H new ATOM 419 N LEU A 30 2.642 6.200 -14.093 1.00 0.82 N ATOM 420 CA LEU A 30 1.811 5.139 -13.517 1.00 0.83 C ATOM 421 C LEU A 30 0.921 5.739 -12.441 1.00 0.84 C ATOM 422 O LEU A 30 1.435 6.253 -11.453 1.00 1.13 O ATOM 423 CB LEU A 30 2.710 4.067 -12.892 1.00 0.93 C ATOM 424 CG LEU A 30 2.804 2.760 -13.691 1.00 0.85 C ATOM 425 CD1 LEU A 30 3.122 2.913 -15.177 1.00 2.00 C ATOM 426 CD2 LEU A 30 3.855 1.867 -13.040 1.00 2.33 C ATOM 0 H LEU A 30 3.432 6.447 -13.497 1.00 0.82 H new ATOM 0 HA LEU A 30 1.198 4.687 -14.297 1.00 0.83 H new ATOM 0 HB2 LEU A 30 3.713 4.477 -12.774 1.00 0.93 H new ATOM 0 HB3 LEU A 30 2.339 3.840 -11.893 1.00 0.93 H new ATOM 0 HG LEU A 30 1.806 2.323 -13.661 1.00 0.85 H new ATOM 0 HD11 LEU A 30 3.165 1.929 -15.643 1.00 2.00 H new ATOM 0 HD12 LEU A 30 2.345 3.508 -15.656 1.00 2.00 H new ATOM 0 HD13 LEU A 30 4.084 3.412 -15.294 1.00 2.00 H new ATOM 0 HD21 LEU A 30 3.934 0.933 -13.596 1.00 2.33 H new ATOM 0 HD22 LEU A 30 4.819 2.376 -13.046 1.00 2.33 H new ATOM 0 HD23 LEU A 30 3.564 1.653 -12.012 1.00 2.33 H new ATOM 438 N ARG A 31 -0.392 5.608 -12.599 1.00 0.70 N ATOM 439 CA ARG A 31 -1.401 6.088 -11.636 1.00 0.68 C ATOM 440 C ARG A 31 -2.095 4.913 -10.948 1.00 0.59 C ATOM 441 O ARG A 31 -2.989 4.293 -11.521 1.00 0.58 O ATOM 442 CB ARG A 31 -2.375 7.059 -12.317 1.00 0.80 C ATOM 443 CG ARG A 31 -3.329 7.740 -11.316 1.00 0.86 C ATOM 444 CD ARG A 31 -4.068 8.951 -11.907 1.00 0.95 C ATOM 445 NE ARG A 31 -3.129 10.022 -12.283 1.00 1.90 N ATOM 446 CZ ARG A 31 -2.876 10.539 -13.476 1.00 2.20 C ATOM 447 NH1 ARG A 31 -3.614 10.285 -14.541 1.00 2.24 N ATOM 448 NH2 ARG A 31 -1.832 11.324 -13.597 1.00 3.38 N ATOM 0 H ARG A 31 -0.803 5.156 -13.416 1.00 0.70 H new ATOM 0 HA ARG A 31 -0.906 6.652 -10.846 1.00 0.68 H new ATOM 0 HB2 ARG A 31 -1.808 7.822 -12.850 1.00 0.80 H new ATOM 0 HB3 ARG A 31 -2.960 6.519 -13.061 1.00 0.80 H new ATOM 0 HG2 ARG A 31 -4.061 7.011 -10.969 1.00 0.86 H new ATOM 0 HG3 ARG A 31 -2.760 8.061 -10.443 1.00 0.86 H new ATOM 0 HD2 ARG A 31 -4.637 8.640 -12.783 1.00 0.95 H new ATOM 0 HD3 ARG A 31 -4.785 9.332 -11.180 1.00 0.95 H new ATOM 0 HE ARG A 31 -2.596 10.424 -11.512 1.00 1.90 H new ATOM 0 HH11 ARG A 31 -4.421 9.665 -14.466 1.00 2.24 H new ATOM 0 HH12 ARG A 31 -3.377 10.708 -15.438 1.00 2.24 H new ATOM 0 HH21 ARG A 31 -1.244 11.519 -12.787 1.00 3.38 H new ATOM 0 HH22 ARG A 31 -1.608 11.739 -14.501 1.00 3.38 H new ATOM 462 N LEU A 32 -1.625 4.580 -9.749 1.00 0.65 N ATOM 463 CA LEU A 32 -2.038 3.447 -8.917 1.00 0.57 C ATOM 464 C LEU A 32 -3.350 3.793 -8.190 1.00 0.58 C ATOM 465 O LEU A 32 -3.346 4.581 -7.253 1.00 0.64 O ATOM 466 CB LEU A 32 -0.867 3.151 -7.954 1.00 0.57 C ATOM 467 CG LEU A 32 -1.109 2.048 -6.904 1.00 0.51 C ATOM 468 CD1 LEU A 32 -1.271 0.678 -7.571 1.00 0.57 C ATOM 469 CD2 LEU A 32 0.077 2.006 -5.925 1.00 0.75 C ATOM 0 H LEU A 32 -0.894 5.132 -9.299 1.00 0.65 H new ATOM 0 HA LEU A 32 -2.246 2.552 -9.503 1.00 0.57 H new ATOM 0 HB2 LEU A 32 0.003 2.873 -8.549 1.00 0.57 H new ATOM 0 HB3 LEU A 32 -0.613 4.073 -7.430 1.00 0.57 H new ATOM 0 HG LEU A 32 -2.029 2.279 -6.367 1.00 0.51 H new ATOM 0 HD11 LEU A 32 -1.440 -0.081 -6.807 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -2.122 0.703 -8.252 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -0.366 0.436 -8.129 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -0.092 1.227 -5.182 1.00 0.75 H new ATOM 0 HD22 LEU A 32 0.994 1.791 -6.474 1.00 0.75 H new ATOM 0 HD23 LEU A 32 0.170 2.970 -5.425 1.00 0.75 H new ATOM 481 N VAL A 33 -4.463 3.203 -8.620 1.00 0.63 N ATOM 482 CA VAL A 33 -5.832 3.544 -8.179 1.00 0.69 C ATOM 483 C VAL A 33 -6.410 2.556 -7.152 1.00 0.69 C ATOM 484 O VAL A 33 -7.433 2.837 -6.533 1.00 0.75 O ATOM 485 CB VAL A 33 -6.811 3.664 -9.375 1.00 0.79 C ATOM 486 CG1 VAL A 33 -6.409 4.814 -10.313 1.00 0.85 C ATOM 487 CG2 VAL A 33 -6.931 2.380 -10.217 1.00 0.84 C ATOM 0 H VAL A 33 -4.447 2.449 -9.307 1.00 0.63 H new ATOM 0 HA VAL A 33 -5.733 4.513 -7.690 1.00 0.69 H new ATOM 0 HB VAL A 33 -7.781 3.858 -8.917 1.00 0.79 H new ATOM 0 HG11 VAL A 33 -7.115 4.872 -11.141 1.00 0.85 H new ATOM 0 HG12 VAL A 33 -6.419 5.754 -9.761 1.00 0.85 H new ATOM 0 HG13 VAL A 33 -5.407 4.633 -10.702 1.00 0.85 H new ATOM 0 HG21 VAL A 33 -7.634 2.545 -11.034 1.00 0.84 H new ATOM 0 HG22 VAL A 33 -5.954 2.120 -10.626 1.00 0.84 H new ATOM 0 HG23 VAL A 33 -7.290 1.565 -9.588 1.00 0.84 H new ATOM 497 N GLY A 34 -5.779 1.388 -6.973 1.00 0.64 N ATOM 498 CA GLY A 34 -6.242 0.367 -6.036 1.00 0.73 C ATOM 499 C GLY A 34 -5.383 -0.889 -6.059 1.00 0.69 C ATOM 500 O GLY A 34 -4.283 -0.898 -6.615 1.00 0.55 O ATOM 0 H GLY A 34 -4.931 1.128 -7.477 1.00 0.64 H new ATOM 0 HA2 GLY A 34 -6.245 0.781 -5.028 1.00 0.73 H new ATOM 0 HA3 GLY A 34 -7.272 0.102 -6.275 1.00 0.73 H new ATOM 504 N ALA A 35 -5.905 -1.968 -5.478 1.00 0.87 N ATOM 505 CA ALA A 35 -5.245 -3.269 -5.434 1.00 0.79 C ATOM 506 C ALA A 35 -6.221 -4.422 -5.142 1.00 0.82 C ATOM 507 O ALA A 35 -7.381 -4.175 -4.813 1.00 0.92 O ATOM 508 CB ALA A 35 -4.129 -3.206 -4.381 1.00 0.88 C ATOM 0 H ALA A 35 -6.815 -1.961 -5.017 1.00 0.87 H new ATOM 0 HA ALA A 35 -4.826 -3.482 -6.418 1.00 0.79 H new ATOM 0 HB1 ALA A 35 -3.621 -4.169 -4.331 1.00 0.88 H new ATOM 0 HB2 ALA A 35 -3.412 -2.432 -4.656 1.00 0.88 H new ATOM 0 HB3 ALA A 35 -4.560 -2.972 -3.408 1.00 0.88 H new ATOM 514 N ARG A 36 -5.730 -5.669 -5.174 1.00 0.77 N ATOM 515 CA ARG A 36 -6.402 -6.808 -4.528 1.00 0.60 C ATOM 516 C ARG A 36 -5.375 -7.767 -3.942 1.00 0.65 C ATOM 517 O ARG A 36 -4.240 -7.841 -4.426 1.00 0.84 O ATOM 518 CB ARG A 36 -7.463 -7.486 -5.436 1.00 0.84 C ATOM 519 CG ARG A 36 -7.065 -7.991 -6.842 1.00 1.44 C ATOM 520 CD ARG A 36 -6.547 -9.444 -6.966 1.00 3.02 C ATOM 521 NE ARG A 36 -5.301 -9.664 -6.224 1.00 4.48 N ATOM 522 CZ ARG A 36 -4.596 -10.776 -6.079 1.00 6.03 C ATOM 523 NH1 ARG A 36 -4.752 -11.856 -6.798 1.00 6.54 N ATOM 524 NH2 ARG A 36 -3.658 -10.813 -5.174 1.00 7.62 N ATOM 0 H ARG A 36 -4.860 -5.917 -5.646 1.00 0.77 H new ATOM 0 HA ARG A 36 -6.988 -6.425 -3.692 1.00 0.60 H new ATOM 0 HB2 ARG A 36 -7.864 -8.338 -4.887 1.00 0.84 H new ATOM 0 HB3 ARG A 36 -8.281 -6.777 -5.565 1.00 0.84 H new ATOM 0 HG2 ARG A 36 -7.933 -7.888 -7.493 1.00 1.44 H new ATOM 0 HG3 ARG A 36 -6.294 -7.326 -7.231 1.00 1.44 H new ATOM 0 HD2 ARG A 36 -7.310 -10.130 -6.599 1.00 3.02 H new ATOM 0 HD3 ARG A 36 -6.386 -9.680 -8.018 1.00 3.02 H new ATOM 0 HE ARG A 36 -4.923 -8.843 -5.752 1.00 4.48 H new ATOM 0 HH11 ARG A 36 -5.458 -11.881 -7.534 1.00 6.54 H new ATOM 0 HH12 ARG A 36 -4.167 -12.674 -6.624 1.00 6.54 H new ATOM 0 HH21 ARG A 36 -3.478 -9.995 -4.593 1.00 7.62 H new ATOM 0 HH22 ARG A 36 -3.105 -11.660 -5.047 1.00 7.62 H new ATOM 538 N THR A 37 -5.769 -8.557 -2.947 1.00 0.58 N ATOM 539 CA THR A 37 -4.919 -9.536 -2.258 1.00 0.66 C ATOM 540 C THR A 37 -5.805 -10.652 -1.712 1.00 0.76 C ATOM 541 O THR A 37 -6.957 -10.356 -1.385 1.00 0.79 O ATOM 542 CB THR A 37 -4.072 -8.843 -1.185 1.00 0.77 C ATOM 543 OG1 THR A 37 -3.331 -9.833 -0.531 1.00 0.88 O ATOM 544 CG2 THR A 37 -4.869 -8.098 -0.115 1.00 0.86 C ATOM 0 H THR A 37 -6.721 -8.536 -2.582 1.00 0.58 H new ATOM 0 HA THR A 37 -4.208 -9.990 -2.948 1.00 0.66 H new ATOM 0 HB THR A 37 -3.469 -8.098 -1.703 1.00 0.77 H new ATOM 0 HG1 THR A 37 -2.684 -9.412 0.073 1.00 0.88 H new ATOM 0 HG21 THR A 37 -4.183 -7.642 0.598 1.00 0.86 H new ATOM 0 HG22 THR A 37 -5.473 -7.322 -0.585 1.00 0.86 H new ATOM 0 HG23 THR A 37 -5.521 -8.799 0.407 1.00 0.86 H new ATOM 552 N PRO A 38 -5.323 -11.907 -1.595 1.00 0.84 N ATOM 553 CA PRO A 38 -6.059 -12.931 -0.873 1.00 0.99 C ATOM 554 C PRO A 38 -6.192 -12.577 0.608 1.00 1.14 C ATOM 555 O PRO A 38 -7.234 -12.860 1.185 1.00 1.48 O ATOM 556 CB PRO A 38 -5.274 -14.229 -1.077 1.00 1.14 C ATOM 557 CG PRO A 38 -3.850 -13.772 -1.380 1.00 1.06 C ATOM 558 CD PRO A 38 -4.074 -12.455 -2.115 1.00 0.89 C ATOM 0 HA PRO A 38 -7.079 -13.028 -1.244 1.00 0.99 H new ATOM 0 HB2 PRO A 38 -5.308 -14.857 -0.187 1.00 1.14 H new ATOM 0 HB3 PRO A 38 -5.685 -14.817 -1.898 1.00 1.14 H new ATOM 0 HG2 PRO A 38 -3.266 -13.634 -0.470 1.00 1.06 H new ATOM 0 HG3 PRO A 38 -3.315 -14.494 -1.996 1.00 1.06 H new ATOM 0 HD2 PRO A 38 -3.246 -11.767 -1.943 1.00 0.89 H new ATOM 0 HD3 PRO A 38 -4.137 -12.615 -3.191 1.00 0.89 H new ATOM 566 N VAL A 39 -5.187 -11.939 1.220 1.00 1.04 N ATOM 567 CA VAL A 39 -5.099 -11.864 2.698 1.00 1.10 C ATOM 568 C VAL A 39 -5.976 -10.781 3.343 1.00 1.19 C ATOM 569 O VAL A 39 -5.925 -10.615 4.555 1.00 1.38 O ATOM 570 CB VAL A 39 -3.646 -11.776 3.227 1.00 1.07 C ATOM 571 CG1 VAL A 39 -2.799 -12.899 2.607 1.00 1.02 C ATOM 572 CG2 VAL A 39 -2.988 -10.408 2.988 1.00 1.02 C ATOM 0 H VAL A 39 -4.427 -11.469 0.728 1.00 1.04 H new ATOM 0 HA VAL A 39 -5.513 -12.821 3.015 1.00 1.10 H new ATOM 0 HB VAL A 39 -3.695 -11.900 4.309 1.00 1.07 H new ATOM 0 HG11 VAL A 39 -1.778 -12.834 2.982 1.00 1.02 H new ATOM 0 HG12 VAL A 39 -3.223 -13.866 2.877 1.00 1.02 H new ATOM 0 HG13 VAL A 39 -2.795 -12.795 1.522 1.00 1.02 H new ATOM 0 HG21 VAL A 39 -1.972 -10.419 3.384 1.00 1.02 H new ATOM 0 HG22 VAL A 39 -2.958 -10.200 1.918 1.00 1.02 H new ATOM 0 HG23 VAL A 39 -3.566 -9.633 3.492 1.00 1.02 H new ATOM 582 N ALA A 40 -6.797 -10.072 2.560 1.00 1.10 N ATOM 583 CA ALA A 40 -7.747 -9.052 3.004 1.00 1.07 C ATOM 584 C ALA A 40 -9.121 -9.306 2.374 1.00 0.93 C ATOM 585 O ALA A 40 -9.238 -10.131 1.470 1.00 1.10 O ATOM 586 CB ALA A 40 -7.206 -7.672 2.613 1.00 1.09 C ATOM 0 H ALA A 40 -6.816 -10.203 1.549 1.00 1.10 H new ATOM 0 HA ALA A 40 -7.865 -9.094 4.087 1.00 1.07 H new ATOM 0 HB1 ALA A 40 -7.905 -6.902 2.938 1.00 1.09 H new ATOM 0 HB2 ALA A 40 -6.240 -7.511 3.092 1.00 1.09 H new ATOM 0 HB3 ALA A 40 -7.088 -7.621 1.531 1.00 1.09 H new ATOM 592 N GLU A 41 -10.145 -8.587 2.831 1.00 0.94 N ATOM 593 CA GLU A 41 -11.417 -8.475 2.116 1.00 0.92 C ATOM 594 C GLU A 41 -11.502 -7.072 1.493 1.00 0.90 C ATOM 595 O GLU A 41 -11.074 -6.873 0.354 1.00 1.16 O ATOM 596 CB GLU A 41 -12.581 -8.848 3.057 1.00 0.92 C ATOM 597 CG GLU A 41 -13.868 -9.194 2.299 1.00 1.10 C ATOM 598 CD GLU A 41 -13.673 -10.462 1.465 1.00 1.83 C ATOM 599 OE1 GLU A 41 -13.794 -11.563 2.036 1.00 2.80 O ATOM 600 OE2 GLU A 41 -13.231 -10.339 0.301 1.00 2.73 O ATOM 0 H GLU A 41 -10.117 -8.065 3.707 1.00 0.94 H new ATOM 0 HA GLU A 41 -11.488 -9.183 1.290 1.00 0.92 H new ATOM 0 HB2 GLU A 41 -12.287 -9.698 3.672 1.00 0.92 H new ATOM 0 HB3 GLU A 41 -12.776 -8.017 3.734 1.00 0.92 H new ATOM 0 HG2 GLU A 41 -14.686 -9.338 3.005 1.00 1.10 H new ATOM 0 HG3 GLU A 41 -14.149 -8.364 1.650 1.00 1.10 H new ATOM 607 N ARG A 42 -11.917 -6.058 2.265 1.00 0.86 N ATOM 608 CA ARG A 42 -11.737 -4.662 1.865 1.00 0.91 C ATOM 609 C ARG A 42 -10.252 -4.290 1.995 1.00 0.81 C ATOM 610 O ARG A 42 -9.668 -4.425 3.072 1.00 1.09 O ATOM 611 CB ARG A 42 -12.653 -3.746 2.696 1.00 1.09 C ATOM 612 CG ARG A 42 -12.676 -2.302 2.167 1.00 1.39 C ATOM 613 CD ARG A 42 -13.628 -1.422 2.992 1.00 1.54 C ATOM 614 NE ARG A 42 -13.670 -0.042 2.482 1.00 2.90 N ATOM 615 CZ ARG A 42 -14.542 0.532 1.668 1.00 3.56 C ATOM 616 NH1 ARG A 42 -15.597 -0.096 1.184 1.00 3.75 N ATOM 617 NH2 ARG A 42 -14.327 1.784 1.348 1.00 5.13 N ATOM 0 H ARG A 42 -12.378 -6.181 3.167 1.00 0.86 H new ATOM 0 HA ARG A 42 -12.025 -4.527 0.823 1.00 0.91 H new ATOM 0 HB2 ARG A 42 -13.666 -4.148 2.690 1.00 1.09 H new ATOM 0 HB3 ARG A 42 -12.317 -3.745 3.733 1.00 1.09 H new ATOM 0 HG2 ARG A 42 -11.670 -1.884 2.200 1.00 1.39 H new ATOM 0 HG3 ARG A 42 -12.988 -2.300 1.123 1.00 1.39 H new ATOM 0 HD2 ARG A 42 -14.630 -1.849 2.969 1.00 1.54 H new ATOM 0 HD3 ARG A 42 -13.307 -1.416 4.034 1.00 1.54 H new ATOM 0 HE ARG A 42 -12.914 0.563 2.804 1.00 2.90 H new ATOM 0 HH11 ARG A 42 -15.770 -1.070 1.434 1.00 3.75 H new ATOM 0 HH12 ARG A 42 -16.239 0.392 0.560 1.00 3.75 H new ATOM 0 HH21 ARG A 42 -13.515 2.274 1.723 1.00 5.13 H new ATOM 0 HH22 ARG A 42 -14.972 2.269 0.724 1.00 5.13 H new ATOM 631 N VAL A 43 -9.679 -3.785 0.904 1.00 0.64 N ATOM 632 CA VAL A 43 -8.358 -3.143 0.835 1.00 0.65 C ATOM 633 C VAL A 43 -8.521 -1.688 0.371 1.00 0.68 C ATOM 634 O VAL A 43 -9.323 -1.417 -0.522 1.00 0.88 O ATOM 635 CB VAL A 43 -7.378 -3.938 -0.065 1.00 0.91 C ATOM 636 CG1 VAL A 43 -7.946 -4.302 -1.446 1.00 1.19 C ATOM 637 CG2 VAL A 43 -6.043 -3.201 -0.266 1.00 0.93 C ATOM 0 H VAL A 43 -10.143 -3.811 -0.004 1.00 0.64 H new ATOM 0 HA VAL A 43 -7.915 -3.140 1.831 1.00 0.65 H new ATOM 0 HB VAL A 43 -7.214 -4.864 0.485 1.00 0.91 H new ATOM 0 HG11 VAL A 43 -7.198 -4.857 -2.012 1.00 1.19 H new ATOM 0 HG12 VAL A 43 -8.837 -4.917 -1.322 1.00 1.19 H new ATOM 0 HG13 VAL A 43 -8.206 -3.391 -1.984 1.00 1.19 H new ATOM 0 HG21 VAL A 43 -5.390 -3.798 -0.903 1.00 0.93 H new ATOM 0 HG22 VAL A 43 -6.228 -2.236 -0.738 1.00 0.93 H new ATOM 0 HG23 VAL A 43 -5.564 -3.046 0.701 1.00 0.93 H new ATOM 647 N GLU A 44 -7.781 -0.757 0.985 1.00 0.64 N ATOM 648 CA GLU A 44 -7.843 0.684 0.698 1.00 0.66 C ATOM 649 C GLU A 44 -6.455 1.329 0.708 1.00 0.65 C ATOM 650 O GLU A 44 -5.752 1.240 1.710 1.00 0.69 O ATOM 651 CB GLU A 44 -8.637 1.421 1.786 1.00 0.72 C ATOM 652 CG GLU A 44 -10.066 0.931 2.006 1.00 0.83 C ATOM 653 CD GLU A 44 -10.800 1.871 2.958 1.00 1.22 C ATOM 654 OE1 GLU A 44 -10.212 2.289 3.976 1.00 2.28 O ATOM 655 OE2 GLU A 44 -11.981 2.148 2.660 1.00 1.91 O ATOM 0 H GLU A 44 -7.106 -0.989 1.713 1.00 0.64 H new ATOM 0 HA GLU A 44 -8.309 0.769 -0.284 1.00 0.66 H new ATOM 0 HB2 GLU A 44 -8.094 1.336 2.727 1.00 0.72 H new ATOM 0 HB3 GLU A 44 -8.670 2.480 1.532 1.00 0.72 H new ATOM 0 HG2 GLU A 44 -10.593 0.881 1.053 1.00 0.83 H new ATOM 0 HG3 GLU A 44 -10.054 -0.079 2.416 1.00 0.83 H new ATOM 662 N LEU A 45 -6.063 2.062 -0.340 1.00 0.64 N ATOM 663 CA LEU A 45 -4.875 2.902 -0.270 1.00 0.61 C ATOM 664 C LEU A 45 -5.176 4.211 0.474 1.00 0.54 C ATOM 665 O LEU A 45 -6.063 4.980 0.092 1.00 0.51 O ATOM 666 CB LEU A 45 -4.332 3.103 -1.689 1.00 0.67 C ATOM 667 CG LEU A 45 -2.860 3.546 -1.668 1.00 0.69 C ATOM 668 CD1 LEU A 45 -2.125 3.016 -2.887 1.00 0.74 C ATOM 669 CD2 LEU A 45 -2.745 5.064 -1.692 1.00 0.75 C ATOM 0 H LEU A 45 -6.549 2.087 -1.236 1.00 0.64 H new ATOM 0 HA LEU A 45 -4.092 2.417 0.313 1.00 0.61 H new ATOM 0 HB2 LEU A 45 -4.426 2.174 -2.251 1.00 0.67 H new ATOM 0 HB3 LEU A 45 -4.932 3.851 -2.207 1.00 0.67 H new ATOM 0 HG LEU A 45 -2.422 3.150 -0.752 1.00 0.69 H new ATOM 0 HD11 LEU A 45 -1.085 3.340 -2.854 1.00 0.74 H new ATOM 0 HD12 LEU A 45 -2.166 1.927 -2.891 1.00 0.74 H new ATOM 0 HD13 LEU A 45 -2.596 3.400 -3.792 1.00 0.74 H new ATOM 0 HD21 LEU A 45 -1.693 5.349 -1.676 1.00 0.75 H new ATOM 0 HD22 LEU A 45 -3.212 5.450 -2.598 1.00 0.75 H new ATOM 0 HD23 LEU A 45 -3.247 5.481 -0.819 1.00 0.75 H new ATOM 681 N HIS A 46 -4.417 4.459 1.538 1.00 0.55 N ATOM 682 CA HIS A 46 -4.471 5.668 2.364 1.00 0.53 C ATOM 683 C HIS A 46 -3.237 6.576 2.170 1.00 0.58 C ATOM 684 O HIS A 46 -2.136 6.103 1.870 1.00 0.61 O ATOM 685 CB HIS A 46 -4.573 5.277 3.850 1.00 0.62 C ATOM 686 CG HIS A 46 -5.827 4.613 4.385 1.00 0.60 C ATOM 687 ND1 HIS A 46 -6.158 4.585 5.742 1.00 0.70 N ATOM 688 CD2 HIS A 46 -6.831 4.000 3.692 1.00 0.62 C ATOM 689 CE1 HIS A 46 -7.311 3.903 5.830 1.00 0.81 C ATOM 690 NE2 HIS A 46 -7.747 3.542 4.617 1.00 0.75 N ATOM 0 H HIS A 46 -3.715 3.795 1.865 1.00 0.55 H new ATOM 0 HA HIS A 46 -5.351 6.229 2.049 1.00 0.53 H new ATOM 0 HB2 HIS A 46 -3.738 4.610 4.066 1.00 0.62 H new ATOM 0 HB3 HIS A 46 -4.415 6.184 4.433 1.00 0.62 H new ATOM 0 HD2 HIS A 46 -6.896 3.893 2.619 1.00 0.62 H new ATOM 0 HE1 HIS A 46 -7.819 3.676 6.756 1.00 0.81 H new ATOM 0 HE2 HIS A 46 -8.601 3.023 4.413 1.00 0.75 H new ATOM 698 N GLU A 47 -3.426 7.876 2.408 1.00 0.63 N ATOM 699 CA GLU A 47 -2.346 8.837 2.652 1.00 0.66 C ATOM 700 C GLU A 47 -1.996 8.858 4.148 1.00 0.57 C ATOM 701 O GLU A 47 -2.833 8.546 5.000 1.00 0.71 O ATOM 702 CB GLU A 47 -2.725 10.247 2.122 1.00 0.76 C ATOM 703 CG GLU A 47 -3.355 11.170 3.185 1.00 1.13 C ATOM 704 CD GLU A 47 -4.075 12.422 2.667 1.00 1.10 C ATOM 705 OE1 GLU A 47 -4.593 12.436 1.537 1.00 1.69 O ATOM 706 OE2 GLU A 47 -4.285 13.356 3.471 1.00 2.23 O ATOM 0 H GLU A 47 -4.353 8.300 2.437 1.00 0.63 H new ATOM 0 HA GLU A 47 -1.458 8.523 2.103 1.00 0.66 H new ATOM 0 HB2 GLU A 47 -1.831 10.726 1.724 1.00 0.76 H new ATOM 0 HB3 GLU A 47 -3.423 10.136 1.292 1.00 0.76 H new ATOM 0 HG2 GLU A 47 -4.066 10.584 3.767 1.00 1.13 H new ATOM 0 HG3 GLU A 47 -2.569 11.488 3.870 1.00 1.13 H new ATOM 713 N THR A 48 -0.790 9.322 4.469 1.00 0.64 N ATOM 714 CA THR A 48 -0.467 9.957 5.751 1.00 0.77 C ATOM 715 C THR A 48 -0.246 11.436 5.476 1.00 0.95 C ATOM 716 O THR A 48 0.298 11.801 4.436 1.00 1.48 O ATOM 717 CB THR A 48 0.785 9.349 6.371 1.00 1.06 C ATOM 718 OG1 THR A 48 0.563 7.967 6.440 1.00 1.16 O ATOM 719 CG2 THR A 48 1.070 9.847 7.789 1.00 1.25 C ATOM 0 H THR A 48 0.007 9.267 3.835 1.00 0.64 H new ATOM 0 HA THR A 48 -1.282 9.803 6.458 1.00 0.77 H new ATOM 0 HB THR A 48 1.641 9.631 5.757 1.00 1.06 H new ATOM 0 HG1 THR A 48 0.554 7.592 5.535 1.00 1.16 H new ATOM 0 HG21 THR A 48 1.975 9.372 8.166 1.00 1.25 H new ATOM 0 HG22 THR A 48 1.207 10.928 7.774 1.00 1.25 H new ATOM 0 HG23 THR A 48 0.231 9.596 8.438 1.00 1.25 H new ATOM 727 N PHE A 49 -0.659 12.289 6.407 1.00 1.05 N ATOM 728 CA PHE A 49 -0.550 13.734 6.294 1.00 1.12 C ATOM 729 C PHE A 49 -0.089 14.358 7.605 1.00 1.11 C ATOM 730 O PHE A 49 -0.353 13.851 8.692 1.00 1.12 O ATOM 731 CB PHE A 49 -1.906 14.314 5.873 1.00 1.16 C ATOM 732 CG PHE A 49 -3.056 14.043 6.830 1.00 1.12 C ATOM 733 CD1 PHE A 49 -3.316 14.906 7.914 1.00 2.14 C ATOM 734 CD2 PHE A 49 -3.914 12.954 6.600 1.00 1.83 C ATOM 735 CE1 PHE A 49 -4.442 14.705 8.733 1.00 2.12 C ATOM 736 CE2 PHE A 49 -5.038 12.761 7.414 1.00 1.85 C ATOM 737 CZ PHE A 49 -5.310 13.633 8.468 1.00 1.12 C ATOM 0 H PHE A 49 -1.089 11.985 7.281 1.00 1.05 H new ATOM 0 HA PHE A 49 0.198 13.969 5.537 1.00 1.12 H new ATOM 0 HB2 PHE A 49 -1.800 15.392 5.755 1.00 1.16 H new ATOM 0 HB3 PHE A 49 -2.167 13.910 4.895 1.00 1.16 H new ATOM 0 HD1 PHE A 49 -2.645 15.728 8.117 1.00 2.14 H new ATOM 0 HD2 PHE A 49 -3.707 12.265 5.795 1.00 1.83 H new ATOM 0 HE1 PHE A 49 -4.638 15.371 9.560 1.00 2.12 H new ATOM 0 HE2 PHE A 49 -5.700 11.929 7.223 1.00 1.85 H new ATOM 0 HZ PHE A 49 -6.187 13.484 9.080 1.00 1.12 H new ATOM 747 N MET A 50 0.527 15.535 7.497 1.00 1.16 N ATOM 748 CA MET A 50 0.699 16.493 8.582 1.00 1.16 C ATOM 749 C MET A 50 -0.183 17.706 8.257 1.00 1.15 C ATOM 750 O MET A 50 -0.011 18.322 7.208 1.00 1.69 O ATOM 751 CB MET A 50 2.192 16.850 8.676 1.00 1.42 C ATOM 752 CG MET A 50 2.402 18.091 9.542 1.00 2.83 C ATOM 753 SD MET A 50 4.115 18.526 9.945 1.00 3.49 S ATOM 754 CE MET A 50 4.808 18.757 8.289 1.00 3.44 C ATOM 0 H MET A 50 0.934 15.856 6.619 1.00 1.16 H new ATOM 0 HA MET A 50 0.398 16.097 9.552 1.00 1.16 H new ATOM 0 HB2 MET A 50 2.745 16.010 9.097 1.00 1.42 H new ATOM 0 HB3 MET A 50 2.591 17.027 7.677 1.00 1.42 H new ATOM 0 HG2 MET A 50 1.946 18.941 9.034 1.00 2.83 H new ATOM 0 HG3 MET A 50 1.859 17.949 10.476 1.00 2.83 H new ATOM 0 HE1 MET A 50 5.834 19.115 8.371 1.00 3.44 H new ATOM 0 HE2 MET A 50 4.796 17.807 7.754 1.00 3.44 H new ATOM 0 HE3 MET A 50 4.211 19.488 7.744 1.00 3.44 H new ATOM 764 N ARG A 51 -1.117 18.048 9.149 1.00 0.95 N ATOM 765 CA ARG A 51 -2.038 19.194 9.025 1.00 1.04 C ATOM 766 C ARG A 51 -2.339 19.785 10.406 1.00 1.05 C ATOM 767 O ARG A 51 -1.954 19.212 11.428 1.00 1.09 O ATOM 768 CB ARG A 51 -3.361 18.765 8.349 1.00 1.33 C ATOM 769 CG ARG A 51 -3.215 18.423 6.858 1.00 2.68 C ATOM 770 CD ARG A 51 -4.575 18.128 6.211 1.00 3.01 C ATOM 771 NE ARG A 51 -4.390 17.670 4.822 1.00 4.54 N ATOM 772 CZ ARG A 51 -4.541 16.430 4.368 1.00 5.56 C ATOM 773 NH1 ARG A 51 -5.078 15.460 5.067 1.00 5.46 N ATOM 774 NH2 ARG A 51 -4.109 16.088 3.180 1.00 7.14 N ATOM 0 H ARG A 51 -1.262 17.520 10.009 1.00 0.95 H new ATOM 0 HA ARG A 51 -1.555 19.949 8.405 1.00 1.04 H new ATOM 0 HB2 ARG A 51 -3.761 17.897 8.873 1.00 1.33 H new ATOM 0 HB3 ARG A 51 -4.090 19.568 8.458 1.00 1.33 H new ATOM 0 HG2 ARG A 51 -2.737 19.253 6.339 1.00 2.68 H new ATOM 0 HG3 ARG A 51 -2.562 17.558 6.745 1.00 2.68 H new ATOM 0 HD2 ARG A 51 -5.102 17.366 6.786 1.00 3.01 H new ATOM 0 HD3 ARG A 51 -5.195 19.024 6.226 1.00 3.01 H new ATOM 0 HE ARG A 51 -4.118 18.377 4.139 1.00 4.54 H new ATOM 0 HH11 ARG A 51 -5.408 15.637 6.016 1.00 5.46 H new ATOM 0 HH12 ARG A 51 -5.166 14.528 4.662 1.00 5.46 H new ATOM 0 HH21 ARG A 51 -3.648 16.778 2.587 1.00 7.14 H new ATOM 0 HH22 ARG A 51 -4.233 15.132 2.848 1.00 7.14 H new ATOM 788 N GLU A 52 -3.044 20.908 10.440 1.00 1.22 N ATOM 789 CA GLU A 52 -3.768 21.367 11.621 1.00 1.63 C ATOM 790 C GLU A 52 -5.024 20.524 11.828 1.00 1.98 C ATOM 791 O GLU A 52 -5.565 19.959 10.879 1.00 2.23 O ATOM 792 CB GLU A 52 -4.137 22.851 11.483 1.00 2.29 C ATOM 793 CG GLU A 52 -3.044 23.742 12.074 1.00 2.47 C ATOM 794 CD GLU A 52 -1.653 23.449 11.519 1.00 2.60 C ATOM 795 OE1 GLU A 52 -1.466 23.332 10.285 1.00 3.20 O ATOM 796 OE2 GLU A 52 -0.722 23.253 12.328 1.00 3.21 O ATOM 0 H GLU A 52 -3.131 21.534 9.640 1.00 1.22 H new ATOM 0 HA GLU A 52 -3.122 21.253 12.491 1.00 1.63 H new ATOM 0 HB2 GLU A 52 -4.283 23.097 10.431 1.00 2.29 H new ATOM 0 HB3 GLU A 52 -5.082 23.044 11.990 1.00 2.29 H new ATOM 0 HG2 GLU A 52 -3.292 24.785 11.879 1.00 2.47 H new ATOM 0 HG3 GLU A 52 -3.029 23.615 13.156 1.00 2.47 H new ATOM 803 N VAL A 53 -5.481 20.470 13.078 1.00 2.24 N ATOM 804 CA VAL A 53 -6.793 19.920 13.461 1.00 2.77 C ATOM 805 C VAL A 53 -7.472 20.926 14.395 1.00 3.19 C ATOM 806 O VAL A 53 -8.005 21.935 13.940 1.00 3.80 O ATOM 807 CB VAL A 53 -6.693 18.469 14.003 1.00 2.74 C ATOM 808 CG1 VAL A 53 -8.083 17.870 14.295 1.00 3.55 C ATOM 809 CG2 VAL A 53 -5.987 17.520 13.018 1.00 3.29 C ATOM 0 H VAL A 53 -4.943 20.813 13.874 1.00 2.24 H new ATOM 0 HA VAL A 53 -7.433 19.801 12.587 1.00 2.77 H new ATOM 0 HB VAL A 53 -6.111 18.550 14.921 1.00 2.74 H new ATOM 0 HG11 VAL A 53 -7.969 16.854 14.672 1.00 3.55 H new ATOM 0 HG12 VAL A 53 -8.592 18.480 15.041 1.00 3.55 H new ATOM 0 HG13 VAL A 53 -8.672 17.853 13.378 1.00 3.55 H new ATOM 0 HG21 VAL A 53 -5.944 16.518 13.446 1.00 3.29 H new ATOM 0 HG22 VAL A 53 -6.542 17.490 12.080 1.00 3.29 H new ATOM 0 HG23 VAL A 53 -4.975 17.878 12.830 1.00 3.29 H new ATOM 819 N GLU A 54 -7.389 20.697 15.700 1.00 3.52 N ATOM 820 CA GLU A 54 -7.797 21.625 16.764 1.00 3.88 C ATOM 821 C GLU A 54 -6.787 22.782 16.932 1.00 3.77 C ATOM 822 O GLU A 54 -6.099 22.898 17.948 1.00 3.90 O ATOM 823 CB GLU A 54 -8.094 20.879 18.079 1.00 4.08 C ATOM 824 CG GLU A 54 -7.007 19.847 18.413 1.00 4.78 C ATOM 825 CD GLU A 54 -6.718 19.657 19.903 1.00 4.60 C ATOM 826 OE1 GLU A 54 -7.202 20.434 20.753 1.00 4.49 O ATOM 827 OE2 GLU A 54 -5.793 18.872 20.205 1.00 5.00 O ATOM 0 H GLU A 54 -7.019 19.821 16.069 1.00 3.52 H new ATOM 0 HA GLU A 54 -8.735 22.091 16.462 1.00 3.88 H new ATOM 0 HB2 GLU A 54 -8.174 21.598 18.894 1.00 4.08 H new ATOM 0 HB3 GLU A 54 -9.059 20.377 18.001 1.00 4.08 H new ATOM 0 HG2 GLU A 54 -7.301 18.886 17.992 1.00 4.78 H new ATOM 0 HG3 GLU A 54 -6.083 20.144 17.916 1.00 4.78 H new ATOM 834 N GLY A 55 -6.635 23.606 15.886 1.00 3.67 N ATOM 835 CA GLY A 55 -5.764 24.795 15.826 1.00 3.83 C ATOM 836 C GLY A 55 -4.260 24.501 15.766 1.00 3.30 C ATOM 837 O GLY A 55 -3.490 25.312 15.262 1.00 3.69 O ATOM 0 H GLY A 55 -7.141 23.456 15.013 1.00 3.67 H new ATOM 0 HA2 GLY A 55 -6.038 25.383 14.950 1.00 3.83 H new ATOM 0 HA3 GLY A 55 -5.962 25.415 16.700 1.00 3.83 H new ATOM 841 N LYS A 56 -3.841 23.339 16.263 1.00 2.62 N ATOM 842 CA LYS A 56 -2.480 22.844 16.346 1.00 2.25 C ATOM 843 C LYS A 56 -2.227 21.723 15.342 1.00 1.97 C ATOM 844 O LYS A 56 -3.154 21.106 14.806 1.00 1.83 O ATOM 845 CB LYS A 56 -2.273 22.390 17.802 1.00 1.90 C ATOM 846 CG LYS A 56 -2.949 21.043 18.122 1.00 3.01 C ATOM 847 CD LYS A 56 -3.053 20.735 19.621 1.00 3.13 C ATOM 848 CE LYS A 56 -4.102 21.628 20.304 1.00 3.20 C ATOM 849 NZ LYS A 56 -4.660 20.979 21.515 1.00 3.45 N ATOM 0 H LYS A 56 -4.505 22.668 16.649 1.00 2.62 H new ATOM 0 HA LYS A 56 -1.761 23.620 16.086 1.00 2.25 H new ATOM 0 HB2 LYS A 56 -1.205 22.309 18.002 1.00 1.90 H new ATOM 0 HB3 LYS A 56 -2.666 23.154 18.473 1.00 1.90 H new ATOM 0 HG2 LYS A 56 -3.950 21.040 17.691 1.00 3.01 H new ATOM 0 HG3 LYS A 56 -2.390 20.244 17.636 1.00 3.01 H new ATOM 0 HD2 LYS A 56 -3.318 19.687 19.761 1.00 3.13 H new ATOM 0 HD3 LYS A 56 -2.082 20.885 20.093 1.00 3.13 H new ATOM 0 HE2 LYS A 56 -3.649 22.581 20.576 1.00 3.20 H new ATOM 0 HE3 LYS A 56 -4.907 21.847 19.603 1.00 3.20 H new ATOM 0 HZ1 LYS A 56 -5.694 21.088 21.522 1.00 3.45 H new ATOM 0 HZ2 LYS A 56 -4.419 19.967 21.509 1.00 3.45 H new ATOM 0 HZ3 LYS A 56 -4.259 21.426 22.364 1.00 3.45 H new ATOM 863 N LYS A 57 -0.942 21.460 15.133 1.00 1.97 N ATOM 864 CA LYS A 57 -0.381 20.530 14.181 1.00 1.68 C ATOM 865 C LYS A 57 -0.506 19.065 14.657 1.00 1.48 C ATOM 866 O LYS A 57 -0.184 18.771 15.805 1.00 1.81 O ATOM 867 CB LYS A 57 1.078 21.001 14.086 1.00 2.05 C ATOM 868 CG LYS A 57 1.837 20.434 12.902 1.00 2.36 C ATOM 869 CD LYS A 57 1.476 21.057 11.545 1.00 3.49 C ATOM 870 CE LYS A 57 1.984 22.500 11.421 1.00 3.43 C ATOM 871 NZ LYS A 57 1.255 23.234 10.363 1.00 4.33 N ATOM 0 H LYS A 57 -0.215 21.932 15.671 1.00 1.97 H new ATOM 0 HA LYS A 57 -0.892 20.527 13.218 1.00 1.68 H new ATOM 0 HB2 LYS A 57 1.094 22.089 14.026 1.00 2.05 H new ATOM 0 HB3 LYS A 57 1.598 20.724 15.003 1.00 2.05 H new ATOM 0 HG2 LYS A 57 2.905 20.569 13.075 1.00 2.36 H new ATOM 0 HG3 LYS A 57 1.655 19.360 12.853 1.00 2.36 H new ATOM 0 HD2 LYS A 57 1.902 20.453 10.744 1.00 3.49 H new ATOM 0 HD3 LYS A 57 0.394 21.041 11.415 1.00 3.49 H new ATOM 0 HE2 LYS A 57 1.862 23.014 12.374 1.00 3.43 H new ATOM 0 HE3 LYS A 57 3.050 22.495 11.195 1.00 3.43 H new ATOM 0 HZ1 LYS A 57 1.185 24.239 10.622 1.00 4.33 H new ATOM 0 HZ2 LYS A 57 1.767 23.144 9.462 1.00 4.33 H new ATOM 0 HZ3 LYS A 57 0.300 22.836 10.260 1.00 4.33 H new ATOM 885 N VAL A 58 -0.937 18.158 13.778 1.00 1.11 N ATOM 886 CA VAL A 58 -1.173 16.724 14.044 1.00 0.98 C ATOM 887 C VAL A 58 -0.787 15.890 12.811 1.00 0.89 C ATOM 888 O VAL A 58 -0.952 16.351 11.678 1.00 0.95 O ATOM 889 CB VAL A 58 -2.661 16.452 14.391 1.00 1.09 C ATOM 890 CG1 VAL A 58 -2.912 14.999 14.832 1.00 1.49 C ATOM 891 CG2 VAL A 58 -3.203 17.381 15.495 1.00 1.49 C ATOM 0 H VAL A 58 -1.143 18.409 12.811 1.00 1.11 H new ATOM 0 HA VAL A 58 -0.557 16.439 14.897 1.00 0.98 H new ATOM 0 HB VAL A 58 -3.192 16.650 13.460 1.00 1.09 H new ATOM 0 HG11 VAL A 58 -3.969 14.866 15.062 1.00 1.49 H new ATOM 0 HG12 VAL A 58 -2.628 14.320 14.028 1.00 1.49 H new ATOM 0 HG13 VAL A 58 -2.317 14.780 15.719 1.00 1.49 H new ATOM 0 HG21 VAL A 58 -4.248 17.141 15.692 1.00 1.49 H new ATOM 0 HG22 VAL A 58 -2.621 17.242 16.406 1.00 1.49 H new ATOM 0 HG23 VAL A 58 -3.124 18.418 15.169 1.00 1.49 H new ATOM 901 N MET A 59 -0.297 14.665 13.030 1.00 1.00 N ATOM 902 CA MET A 59 -0.059 13.645 12.001 1.00 1.10 C ATOM 903 C MET A 59 -1.231 12.651 11.954 1.00 1.12 C ATOM 904 O MET A 59 -1.498 11.969 12.942 1.00 1.51 O ATOM 905 CB MET A 59 1.260 12.898 12.269 1.00 1.36 C ATOM 906 CG MET A 59 2.497 13.766 12.009 1.00 2.32 C ATOM 907 SD MET A 59 2.797 15.094 13.206 1.00 3.59 S ATOM 908 CE MET A 59 4.216 15.857 12.400 1.00 3.79 C ATOM 0 H MET A 59 -0.045 14.344 13.965 1.00 1.00 H new ATOM 0 HA MET A 59 0.018 14.145 11.035 1.00 1.10 H new ATOM 0 HB2 MET A 59 1.274 12.554 13.303 1.00 1.36 H new ATOM 0 HB3 MET A 59 1.305 12.011 11.637 1.00 1.36 H new ATOM 0 HG2 MET A 59 3.373 13.118 11.987 1.00 2.32 H new ATOM 0 HG3 MET A 59 2.404 14.210 11.018 1.00 2.32 H new ATOM 0 HE1 MET A 59 4.358 16.865 12.791 1.00 3.79 H new ATOM 0 HE2 MET A 59 5.109 15.263 12.595 1.00 3.79 H new ATOM 0 HE3 MET A 59 4.041 15.906 11.325 1.00 3.79 H new ATOM 918 N GLY A 60 -1.920 12.571 10.811 1.00 0.97 N ATOM 919 CA GLY A 60 -3.109 11.734 10.590 1.00 0.99 C ATOM 920 C GLY A 60 -3.052 10.937 9.286 1.00 0.94 C ATOM 921 O GLY A 60 -2.073 11.012 8.549 1.00 1.29 O ATOM 0 H GLY A 60 -1.657 13.106 9.983 1.00 0.97 H new ATOM 0 HA2 GLY A 60 -3.219 11.043 11.426 1.00 0.99 H new ATOM 0 HA3 GLY A 60 -3.995 12.368 10.582 1.00 0.99 H new ATOM 925 N MET A 61 -4.103 10.161 8.999 1.00 0.83 N ATOM 926 CA MET A 61 -4.213 9.266 7.826 1.00 0.78 C ATOM 927 C MET A 61 -5.644 9.263 7.259 1.00 0.70 C ATOM 928 O MET A 61 -6.577 9.616 7.981 1.00 0.79 O ATOM 929 CB MET A 61 -3.813 7.835 8.232 1.00 0.91 C ATOM 930 CG MET A 61 -2.334 7.728 8.623 1.00 1.19 C ATOM 931 SD MET A 61 -1.884 6.183 9.443 1.00 2.14 S ATOM 932 CE MET A 61 -0.122 6.521 9.657 1.00 1.85 C ATOM 0 H MET A 61 -4.932 10.133 9.593 1.00 0.83 H new ATOM 0 HA MET A 61 -3.541 9.634 7.050 1.00 0.78 H new ATOM 0 HB2 MET A 61 -4.431 7.512 9.070 1.00 0.91 H new ATOM 0 HB3 MET A 61 -4.017 7.155 7.405 1.00 0.91 H new ATOM 0 HG2 MET A 61 -1.725 7.839 7.726 1.00 1.19 H new ATOM 0 HG3 MET A 61 -2.085 8.560 9.282 1.00 1.19 H new ATOM 0 HE1 MET A 61 0.353 5.675 10.154 1.00 1.85 H new ATOM 0 HE2 MET A 61 0.340 6.675 8.682 1.00 1.85 H new ATOM 0 HE3 MET A 61 0.005 7.417 10.264 1.00 1.85 H new ATOM 942 N ARG A 62 -5.834 8.877 5.987 1.00 0.61 N ATOM 943 CA ARG A 62 -7.163 8.616 5.377 1.00 0.50 C ATOM 944 C ARG A 62 -7.081 7.930 3.998 1.00 0.44 C ATOM 945 O ARG A 62 -6.122 8.209 3.274 1.00 0.54 O ATOM 946 CB ARG A 62 -8.095 9.855 5.317 1.00 0.80 C ATOM 947 CG ARG A 62 -7.529 11.209 4.851 1.00 1.50 C ATOM 948 CD ARG A 62 -6.964 11.331 3.435 1.00 2.55 C ATOM 949 NE ARG A 62 -7.963 11.142 2.374 1.00 3.06 N ATOM 950 CZ ARG A 62 -8.054 11.845 1.252 1.00 3.80 C ATOM 951 NH1 ARG A 62 -7.207 12.797 0.928 1.00 4.49 N ATOM 952 NH2 ARG A 62 -9.019 11.556 0.410 1.00 4.70 N ATOM 0 H ARG A 62 -5.061 8.733 5.337 1.00 0.61 H new ATOM 0 HA ARG A 62 -7.624 7.913 6.070 1.00 0.50 H new ATOM 0 HB2 ARG A 62 -8.928 9.606 4.659 1.00 0.80 H new ATOM 0 HB3 ARG A 62 -8.509 10.000 6.315 1.00 0.80 H new ATOM 0 HG2 ARG A 62 -8.322 11.949 4.953 1.00 1.50 H new ATOM 0 HG3 ARG A 62 -6.738 11.491 5.546 1.00 1.50 H new ATOM 0 HD2 ARG A 62 -6.509 12.315 3.320 1.00 2.55 H new ATOM 0 HD3 ARG A 62 -6.170 10.595 3.307 1.00 2.55 H new ATOM 0 HE ARG A 62 -8.651 10.401 2.513 1.00 3.06 H new ATOM 0 HH11 ARG A 62 -6.434 13.026 1.552 1.00 4.49 H new ATOM 0 HH12 ARG A 62 -7.323 13.307 0.052 1.00 4.49 H new ATOM 0 HH21 ARG A 62 -9.676 10.806 0.625 1.00 4.70 H new ATOM 0 HH22 ARG A 62 -9.111 12.081 -0.460 1.00 4.70 H new ATOM 966 N PRO A 63 -8.079 7.123 3.579 1.00 0.47 N ATOM 967 CA PRO A 63 -8.142 6.563 2.229 1.00 0.45 C ATOM 968 C PRO A 63 -8.228 7.654 1.159 1.00 0.44 C ATOM 969 O PRO A 63 -8.897 8.671 1.356 1.00 0.50 O ATOM 970 CB PRO A 63 -9.327 5.594 2.191 1.00 0.54 C ATOM 971 CG PRO A 63 -10.186 6.034 3.361 1.00 0.59 C ATOM 972 CD PRO A 63 -9.221 6.671 4.360 1.00 0.65 C ATOM 0 HA PRO A 63 -7.224 6.023 1.997 1.00 0.45 H new ATOM 0 HB2 PRO A 63 -9.869 5.661 1.248 1.00 0.54 H new ATOM 0 HB3 PRO A 63 -9.002 4.559 2.299 1.00 0.54 H new ATOM 0 HG2 PRO A 63 -10.948 6.746 3.043 1.00 0.59 H new ATOM 0 HG3 PRO A 63 -10.708 5.186 3.805 1.00 0.59 H new ATOM 0 HD2 PRO A 63 -9.692 7.504 4.881 1.00 0.65 H new ATOM 0 HD3 PRO A 63 -8.915 5.952 5.120 1.00 0.65 H new ATOM 980 N VAL A 64 -7.544 7.421 0.033 1.00 0.43 N ATOM 981 CA VAL A 64 -7.440 8.320 -1.134 1.00 0.43 C ATOM 982 C VAL A 64 -7.950 7.627 -2.406 1.00 0.46 C ATOM 983 O VAL A 64 -7.991 6.397 -2.444 1.00 0.46 O ATOM 984 CB VAL A 64 -5.984 8.802 -1.382 1.00 0.44 C ATOM 985 CG1 VAL A 64 -5.680 10.023 -0.516 1.00 0.48 C ATOM 986 CG2 VAL A 64 -4.901 7.732 -1.185 1.00 0.48 C ATOM 0 H VAL A 64 -7.019 6.557 -0.101 1.00 0.43 H new ATOM 0 HA VAL A 64 -8.059 9.188 -0.905 1.00 0.43 H new ATOM 0 HB VAL A 64 -5.944 9.059 -2.440 1.00 0.44 H new ATOM 0 HG11 VAL A 64 -4.657 10.352 -0.698 1.00 0.48 H new ATOM 0 HG12 VAL A 64 -6.371 10.828 -0.767 1.00 0.48 H new ATOM 0 HG13 VAL A 64 -5.795 9.761 0.536 1.00 0.48 H new ATOM 0 HG21 VAL A 64 -3.921 8.166 -1.381 1.00 0.48 H new ATOM 0 HG22 VAL A 64 -4.936 7.363 -0.160 1.00 0.48 H new ATOM 0 HG23 VAL A 64 -5.076 6.906 -1.874 1.00 0.48 H new ATOM 996 N PRO A 65 -8.317 8.386 -3.459 1.00 0.54 N ATOM 997 CA PRO A 65 -8.752 7.812 -4.726 1.00 0.62 C ATOM 998 C PRO A 65 -7.604 7.224 -5.556 1.00 0.61 C ATOM 999 O PRO A 65 -7.891 6.384 -6.403 1.00 0.66 O ATOM 1000 CB PRO A 65 -9.450 8.955 -5.469 1.00 0.68 C ATOM 1001 CG PRO A 65 -8.717 10.195 -4.963 1.00 0.64 C ATOM 1002 CD PRO A 65 -8.441 9.841 -3.502 1.00 0.57 C ATOM 0 HA PRO A 65 -9.414 6.964 -4.550 1.00 0.62 H new ATOM 0 HB2 PRO A 65 -9.361 8.847 -6.550 1.00 0.68 H new ATOM 0 HB3 PRO A 65 -10.515 8.994 -5.239 1.00 0.68 H new ATOM 0 HG2 PRO A 65 -7.796 10.377 -5.518 1.00 0.64 H new ATOM 0 HG3 PRO A 65 -9.327 11.093 -5.055 1.00 0.64 H new ATOM 0 HD2 PRO A 65 -7.528 10.321 -3.149 1.00 0.57 H new ATOM 0 HD3 PRO A 65 -9.251 10.183 -2.858 1.00 0.57 H new ATOM 1010 N PHE A 66 -6.335 7.623 -5.339 1.00 0.58 N ATOM 1011 CA PHE A 66 -5.168 7.126 -6.074 1.00 0.59 C ATOM 1012 C PHE A 66 -3.844 7.616 -5.470 1.00 0.62 C ATOM 1013 O PHE A 66 -3.802 8.594 -4.724 1.00 0.67 O ATOM 1014 CB PHE A 66 -5.248 7.444 -7.583 1.00 0.65 C ATOM 1015 CG PHE A 66 -5.253 8.905 -7.980 1.00 0.77 C ATOM 1016 CD1 PHE A 66 -4.044 9.583 -8.220 1.00 2.55 C ATOM 1017 CD2 PHE A 66 -6.476 9.571 -8.185 1.00 1.54 C ATOM 1018 CE1 PHE A 66 -4.055 10.916 -8.664 1.00 2.65 C ATOM 1019 CE2 PHE A 66 -6.489 10.906 -8.619 1.00 1.54 C ATOM 1020 CZ PHE A 66 -5.278 11.581 -8.862 1.00 1.06 C ATOM 0 H PHE A 66 -6.094 8.316 -4.630 1.00 0.58 H new ATOM 0 HA PHE A 66 -5.186 6.041 -5.970 1.00 0.59 H new ATOM 0 HB2 PHE A 66 -4.403 6.962 -8.076 1.00 0.65 H new ATOM 0 HB3 PHE A 66 -6.153 6.983 -7.979 1.00 0.65 H new ATOM 0 HD1 PHE A 66 -3.103 9.077 -8.062 1.00 2.55 H new ATOM 0 HD2 PHE A 66 -7.407 9.053 -8.008 1.00 1.54 H new ATOM 0 HE1 PHE A 66 -3.124 11.430 -8.853 1.00 2.65 H new ATOM 0 HE2 PHE A 66 -7.430 11.416 -8.767 1.00 1.54 H new ATOM 0 HZ PHE A 66 -5.288 12.607 -9.200 1.00 1.06 H new ATOM 1030 N LEU A 67 -2.763 6.944 -5.866 1.00 0.61 N ATOM 1031 CA LEU A 67 -1.384 7.428 -5.898 1.00 0.64 C ATOM 1032 C LEU A 67 -0.902 7.486 -7.354 1.00 0.65 C ATOM 1033 O LEU A 67 -1.561 6.966 -8.255 1.00 0.64 O ATOM 1034 CB LEU A 67 -0.482 6.464 -5.093 1.00 0.64 C ATOM 1035 CG LEU A 67 -0.049 6.989 -3.715 1.00 0.70 C ATOM 1036 CD1 LEU A 67 0.905 5.946 -3.112 1.00 1.09 C ATOM 1037 CD2 LEU A 67 0.715 8.324 -3.786 1.00 0.92 C ATOM 0 H LEU A 67 -2.833 5.981 -6.195 1.00 0.61 H new ATOM 0 HA LEU A 67 -1.334 8.424 -5.457 1.00 0.64 H new ATOM 0 HB2 LEU A 67 -1.012 5.521 -4.957 1.00 0.64 H new ATOM 0 HB3 LEU A 67 0.410 6.247 -5.681 1.00 0.64 H new ATOM 0 HG LEU A 67 -0.949 7.154 -3.122 1.00 0.70 H new ATOM 0 HD11 LEU A 67 1.237 6.282 -2.130 1.00 1.09 H new ATOM 0 HD12 LEU A 67 0.386 4.992 -3.014 1.00 1.09 H new ATOM 0 HD13 LEU A 67 1.769 5.823 -3.765 1.00 1.09 H new ATOM 0 HD21 LEU A 67 0.992 8.639 -2.780 1.00 0.92 H new ATOM 0 HD22 LEU A 67 1.616 8.196 -4.387 1.00 0.92 H new ATOM 0 HD23 LEU A 67 0.079 9.083 -4.242 1.00 0.92 H new ATOM 1049 N GLU A 68 0.291 8.031 -7.586 1.00 0.73 N ATOM 1050 CA GLU A 68 0.966 7.912 -8.874 1.00 0.83 C ATOM 1051 C GLU A 68 2.481 8.023 -8.741 1.00 0.92 C ATOM 1052 O GLU A 68 2.993 8.442 -7.705 1.00 0.92 O ATOM 1053 CB GLU A 68 0.376 8.863 -9.930 1.00 0.97 C ATOM 1054 CG GLU A 68 0.794 10.328 -9.875 1.00 1.11 C ATOM 1055 CD GLU A 68 0.053 11.021 -11.014 1.00 1.39 C ATOM 1056 OE1 GLU A 68 -1.155 11.292 -10.856 1.00 1.51 O ATOM 1057 OE2 GLU A 68 0.597 11.125 -12.133 1.00 2.56 O ATOM 0 H GLU A 68 0.813 8.564 -6.890 1.00 0.73 H new ATOM 0 HA GLU A 68 0.774 6.905 -9.244 1.00 0.83 H new ATOM 0 HB2 GLU A 68 0.639 8.476 -10.914 1.00 0.97 H new ATOM 0 HB3 GLU A 68 -0.710 8.821 -9.850 1.00 0.97 H new ATOM 0 HG2 GLU A 68 0.534 10.772 -8.914 1.00 1.11 H new ATOM 0 HG3 GLU A 68 1.873 10.430 -9.992 1.00 1.11 H new ATOM 1064 N VAL A 69 3.177 7.605 -9.796 1.00 1.01 N ATOM 1065 CA VAL A 69 4.635 7.537 -9.876 1.00 1.03 C ATOM 1066 C VAL A 69 5.075 8.013 -11.267 1.00 1.03 C ATOM 1067 O VAL A 69 4.602 7.455 -12.266 1.00 1.14 O ATOM 1068 CB VAL A 69 5.161 6.099 -9.641 1.00 1.08 C ATOM 1069 CG1 VAL A 69 6.687 6.081 -9.451 1.00 1.10 C ATOM 1070 CG2 VAL A 69 4.531 5.425 -8.415 1.00 1.15 C ATOM 0 H VAL A 69 2.722 7.292 -10.654 1.00 1.01 H new ATOM 0 HA VAL A 69 5.049 8.175 -9.095 1.00 1.03 H new ATOM 0 HB VAL A 69 4.880 5.545 -10.536 1.00 1.08 H new ATOM 0 HG11 VAL A 69 7.021 5.056 -9.289 1.00 1.10 H new ATOM 0 HG12 VAL A 69 7.169 6.483 -10.342 1.00 1.10 H new ATOM 0 HG13 VAL A 69 6.953 6.691 -8.588 1.00 1.10 H new ATOM 0 HG21 VAL A 69 4.939 4.420 -8.302 1.00 1.15 H new ATOM 0 HG22 VAL A 69 4.755 6.010 -7.523 1.00 1.15 H new ATOM 0 HG23 VAL A 69 3.451 5.365 -8.548 1.00 1.15 H new ATOM 1080 N PRO A 70 5.980 9.005 -11.363 1.00 0.94 N ATOM 1081 CA PRO A 70 6.518 9.439 -12.641 1.00 0.96 C ATOM 1082 C PRO A 70 7.447 8.363 -13.228 1.00 1.09 C ATOM 1083 O PRO A 70 7.957 7.519 -12.485 1.00 1.25 O ATOM 1084 CB PRO A 70 7.263 10.743 -12.351 1.00 0.93 C ATOM 1085 CG PRO A 70 7.735 10.557 -10.909 1.00 0.93 C ATOM 1086 CD PRO A 70 6.596 9.756 -10.275 1.00 0.91 C ATOM 0 HA PRO A 70 5.738 9.597 -13.385 1.00 0.96 H new ATOM 0 HB2 PRO A 70 8.100 10.890 -13.034 1.00 0.93 H new ATOM 0 HB3 PRO A 70 6.612 11.611 -12.454 1.00 0.93 H new ATOM 0 HG2 PRO A 70 8.682 10.020 -10.860 1.00 0.93 H new ATOM 0 HG3 PRO A 70 7.885 11.513 -10.407 1.00 0.93 H new ATOM 0 HD2 PRO A 70 6.973 9.086 -9.503 1.00 0.91 H new ATOM 0 HD3 PRO A 70 5.872 10.417 -9.798 1.00 0.91 H new ATOM 1094 N PRO A 71 7.685 8.392 -14.551 1.00 1.05 N ATOM 1095 CA PRO A 71 8.543 7.428 -15.222 1.00 1.07 C ATOM 1096 C PRO A 71 9.967 7.458 -14.667 1.00 1.06 C ATOM 1097 O PRO A 71 10.489 8.518 -14.326 1.00 1.05 O ATOM 1098 CB PRO A 71 8.460 7.753 -16.711 1.00 1.08 C ATOM 1099 CG PRO A 71 7.902 9.171 -16.793 1.00 1.06 C ATOM 1100 CD PRO A 71 7.137 9.355 -15.490 1.00 1.04 C ATOM 0 HA PRO A 71 8.214 6.403 -15.049 1.00 1.07 H new ATOM 0 HB2 PRO A 71 9.442 7.691 -17.181 1.00 1.08 H new ATOM 0 HB3 PRO A 71 7.813 7.047 -17.231 1.00 1.08 H new ATOM 0 HG2 PRO A 71 8.700 9.907 -16.892 1.00 1.06 H new ATOM 0 HG3 PRO A 71 7.249 9.291 -17.657 1.00 1.06 H new ATOM 0 HD2 PRO A 71 7.250 10.372 -15.114 1.00 1.04 H new ATOM 0 HD3 PRO A 71 6.070 9.188 -15.639 1.00 1.04 H new ATOM 1108 N LYS A 72 10.566 6.268 -14.532 1.00 1.10 N ATOM 1109 CA LYS A 72 11.907 6.000 -13.975 1.00 1.13 C ATOM 1110 C LYS A 72 11.998 6.178 -12.447 1.00 1.15 C ATOM 1111 O LYS A 72 13.009 5.814 -11.844 1.00 1.19 O ATOM 1112 CB LYS A 72 12.995 6.802 -14.715 1.00 1.16 C ATOM 1113 CG LYS A 72 12.851 6.821 -16.245 1.00 1.16 C ATOM 1114 CD LYS A 72 12.795 5.431 -16.901 1.00 1.14 C ATOM 1115 CE LYS A 72 12.478 5.597 -18.391 1.00 1.18 C ATOM 1116 NZ LYS A 72 12.221 4.304 -19.062 1.00 1.41 N ATOM 0 H LYS A 72 10.101 5.409 -14.826 1.00 1.10 H new ATOM 0 HA LYS A 72 12.092 4.940 -14.149 1.00 1.13 H new ATOM 0 HB2 LYS A 72 12.982 7.829 -14.350 1.00 1.16 H new ATOM 0 HB3 LYS A 72 13.970 6.386 -14.461 1.00 1.16 H new ATOM 0 HG2 LYS A 72 11.944 7.367 -16.505 1.00 1.16 H new ATOM 0 HG3 LYS A 72 13.689 7.375 -16.669 1.00 1.16 H new ATOM 0 HD2 LYS A 72 13.747 4.916 -16.773 1.00 1.14 H new ATOM 0 HD3 LYS A 72 12.033 4.818 -16.420 1.00 1.14 H new ATOM 0 HE2 LYS A 72 11.606 6.241 -18.504 1.00 1.18 H new ATOM 0 HE3 LYS A 72 13.311 6.099 -18.883 1.00 1.18 H new ATOM 0 HZ1 LYS A 72 12.998 4.094 -19.721 1.00 1.41 H new ATOM 0 HZ2 LYS A 72 12.158 3.549 -18.349 1.00 1.41 H new ATOM 0 HZ3 LYS A 72 11.326 4.358 -19.588 1.00 1.41 H new ATOM 1130 N GLY A 73 10.951 6.710 -11.809 1.00 1.20 N ATOM 1131 CA GLY A 73 10.837 6.905 -10.369 1.00 1.26 C ATOM 1132 C GLY A 73 10.332 5.664 -9.641 1.00 1.03 C ATOM 1133 O GLY A 73 10.175 4.584 -10.209 1.00 1.47 O ATOM 0 H GLY A 73 10.123 7.030 -12.311 1.00 1.20 H new ATOM 0 HA2 GLY A 73 11.811 7.185 -9.967 1.00 1.26 H new ATOM 0 HA3 GLY A 73 10.160 7.736 -10.172 1.00 1.26 H new ATOM 1137 N ARG A 74 10.081 5.869 -8.352 1.00 1.23 N ATOM 1138 CA ARG A 74 9.546 4.892 -7.387 1.00 1.22 C ATOM 1139 C ARG A 74 8.950 5.576 -6.156 1.00 1.29 C ATOM 1140 O ARG A 74 9.306 6.713 -5.866 1.00 1.47 O ATOM 1141 CB ARG A 74 10.616 3.854 -6.966 1.00 1.47 C ATOM 1142 CG ARG A 74 11.713 4.403 -6.024 1.00 1.73 C ATOM 1143 CD ARG A 74 12.710 3.329 -5.554 1.00 1.67 C ATOM 1144 NE ARG A 74 13.453 2.769 -6.692 1.00 2.29 N ATOM 1145 CZ ARG A 74 13.234 1.586 -7.251 1.00 2.94 C ATOM 1146 NH1 ARG A 74 12.632 0.582 -6.665 1.00 2.92 N ATOM 1147 NH2 ARG A 74 13.597 1.388 -8.495 1.00 4.62 N ATOM 0 H ARG A 74 10.254 6.776 -7.918 1.00 1.23 H new ATOM 0 HA ARG A 74 8.743 4.360 -7.897 1.00 1.22 H new ATOM 0 HB2 ARG A 74 10.118 3.018 -6.474 1.00 1.47 H new ATOM 0 HB3 ARG A 74 11.091 3.458 -7.863 1.00 1.47 H new ATOM 0 HG2 ARG A 74 12.259 5.195 -6.537 1.00 1.73 H new ATOM 0 HG3 ARG A 74 11.240 4.855 -5.152 1.00 1.73 H new ATOM 0 HD2 ARG A 74 13.407 3.763 -4.837 1.00 1.67 H new ATOM 0 HD3 ARG A 74 12.175 2.533 -5.036 1.00 1.67 H new ATOM 0 HE ARG A 74 14.201 3.339 -7.086 1.00 2.29 H new ATOM 0 HH11 ARG A 74 12.292 0.679 -5.708 1.00 2.92 H new ATOM 0 HH12 ARG A 74 12.502 -0.297 -7.165 1.00 2.92 H new ATOM 0 HH21 ARG A 74 14.042 2.139 -9.022 1.00 4.62 H new ATOM 0 HH22 ARG A 74 13.434 0.483 -8.936 1.00 4.62 H new ATOM 1161 N VAL A 75 8.119 4.850 -5.409 1.00 1.21 N ATOM 1162 CA VAL A 75 7.606 5.244 -4.083 1.00 1.28 C ATOM 1163 C VAL A 75 7.487 4.015 -3.182 1.00 1.16 C ATOM 1164 O VAL A 75 6.885 3.022 -3.590 1.00 1.41 O ATOM 1165 CB VAL A 75 6.230 5.960 -4.163 1.00 1.57 C ATOM 1166 CG1 VAL A 75 6.342 7.331 -4.849 1.00 1.78 C ATOM 1167 CG2 VAL A 75 5.138 5.137 -4.878 1.00 1.65 C ATOM 0 H VAL A 75 7.769 3.942 -5.713 1.00 1.21 H new ATOM 0 HA VAL A 75 8.321 5.952 -3.664 1.00 1.28 H new ATOM 0 HB VAL A 75 5.926 6.084 -3.124 1.00 1.57 H new ATOM 0 HG11 VAL A 75 5.359 7.801 -4.886 1.00 1.78 H new ATOM 0 HG12 VAL A 75 7.026 7.965 -4.285 1.00 1.78 H new ATOM 0 HG13 VAL A 75 6.720 7.201 -5.863 1.00 1.78 H new ATOM 0 HG21 VAL A 75 4.207 5.704 -4.894 1.00 1.65 H new ATOM 0 HG22 VAL A 75 5.452 4.927 -5.900 1.00 1.65 H new ATOM 0 HG23 VAL A 75 4.983 4.199 -4.346 1.00 1.65 H new ATOM 1177 N GLU A 76 8.027 4.075 -1.961 1.00 1.20 N ATOM 1178 CA GLU A 76 7.720 3.093 -0.914 1.00 1.18 C ATOM 1179 C GLU A 76 6.499 3.539 -0.110 1.00 1.14 C ATOM 1180 O GLU A 76 6.502 4.602 0.525 1.00 1.28 O ATOM 1181 CB GLU A 76 8.899 2.731 0.021 1.00 1.52 C ATOM 1182 CG GLU A 76 10.277 3.330 -0.289 1.00 1.70 C ATOM 1183 CD GLU A 76 10.298 4.764 0.206 1.00 2.30 C ATOM 1184 OE1 GLU A 76 10.581 4.966 1.403 1.00 3.36 O ATOM 1185 OE2 GLU A 76 9.798 5.664 -0.507 1.00 3.16 O ATOM 0 H GLU A 76 8.684 4.799 -1.671 1.00 1.20 H new ATOM 0 HA GLU A 76 7.501 2.167 -1.445 1.00 1.18 H new ATOM 0 HB2 GLU A 76 8.626 3.029 1.033 1.00 1.52 H new ATOM 0 HB3 GLU A 76 9.000 1.646 0.025 1.00 1.52 H new ATOM 0 HG2 GLU A 76 11.061 2.749 0.197 1.00 1.70 H new ATOM 0 HG3 GLU A 76 10.473 3.296 -1.361 1.00 1.70 H new ATOM 1192 N LEU A 77 5.481 2.672 -0.095 1.00 1.02 N ATOM 1193 CA LEU A 77 4.299 2.741 0.756 1.00 0.94 C ATOM 1194 C LEU A 77 4.690 2.474 2.221 1.00 1.03 C ATOM 1195 O LEU A 77 4.353 1.461 2.826 1.00 1.42 O ATOM 1196 CB LEU A 77 3.201 1.788 0.228 1.00 0.86 C ATOM 1197 CG LEU A 77 2.429 2.296 -1.010 1.00 0.80 C ATOM 1198 CD1 LEU A 77 3.172 2.052 -2.334 1.00 0.91 C ATOM 1199 CD2 LEU A 77 1.055 1.613 -1.070 1.00 0.76 C ATOM 0 H LEU A 77 5.463 1.860 -0.712 1.00 1.02 H new ATOM 0 HA LEU A 77 3.874 3.744 0.724 1.00 0.94 H new ATOM 0 HB2 LEU A 77 3.661 0.831 -0.018 1.00 0.86 H new ATOM 0 HB3 LEU A 77 2.487 1.602 1.030 1.00 0.86 H new ATOM 0 HG LEU A 77 2.327 3.375 -0.896 1.00 0.80 H new ATOM 0 HD11 LEU A 77 2.574 2.433 -3.162 1.00 0.91 H new ATOM 0 HD12 LEU A 77 4.132 2.567 -2.313 1.00 0.91 H new ATOM 0 HD13 LEU A 77 3.337 0.983 -2.467 1.00 0.91 H new ATOM 0 HD21 LEU A 77 0.509 1.970 -1.943 1.00 0.76 H new ATOM 0 HD22 LEU A 77 1.188 0.534 -1.142 1.00 0.76 H new ATOM 0 HD23 LEU A 77 0.491 1.850 -0.168 1.00 0.76 H new ATOM 1211 N LYS A 78 5.435 3.412 2.797 1.00 1.07 N ATOM 1212 CA LYS A 78 5.829 3.436 4.200 1.00 1.11 C ATOM 1213 C LYS A 78 4.607 3.749 5.096 1.00 0.98 C ATOM 1214 O LYS A 78 3.806 4.603 4.714 1.00 0.92 O ATOM 1215 CB LYS A 78 6.987 4.450 4.345 1.00 1.26 C ATOM 1216 CG LYS A 78 6.565 5.897 4.012 1.00 1.34 C ATOM 1217 CD LYS A 78 7.707 6.919 4.009 1.00 1.68 C ATOM 1218 CE LYS A 78 8.785 6.636 2.956 1.00 1.76 C ATOM 1219 NZ LYS A 78 8.264 6.584 1.568 1.00 2.76 N ATOM 0 H LYS A 78 5.796 4.211 2.275 1.00 1.07 H new ATOM 0 HA LYS A 78 6.189 2.463 4.535 1.00 1.11 H new ATOM 0 HB2 LYS A 78 7.369 4.414 5.365 1.00 1.26 H new ATOM 0 HB3 LYS A 78 7.805 4.155 3.688 1.00 1.26 H new ATOM 0 HG2 LYS A 78 6.088 5.904 3.032 1.00 1.34 H new ATOM 0 HG3 LYS A 78 5.814 6.216 4.734 1.00 1.34 H new ATOM 0 HD2 LYS A 78 7.293 7.912 3.835 1.00 1.68 H new ATOM 0 HD3 LYS A 78 8.171 6.935 4.995 1.00 1.68 H new ATOM 0 HE2 LYS A 78 9.552 7.408 3.018 1.00 1.76 H new ATOM 0 HE3 LYS A 78 9.268 5.687 3.189 1.00 1.76 H new ATOM 0 HZ1 LYS A 78 9.033 6.797 0.900 1.00 2.76 H new ATOM 0 HZ2 LYS A 78 7.889 5.634 1.373 1.00 2.76 H new ATOM 0 HZ3 LYS A 78 7.504 7.285 1.456 1.00 2.76 H new ATOM 1233 N PRO A 79 4.469 3.132 6.292 1.00 1.04 N ATOM 1234 CA PRO A 79 3.284 3.273 7.145 1.00 1.07 C ATOM 1235 C PRO A 79 2.916 4.740 7.388 1.00 1.10 C ATOM 1236 O PRO A 79 1.828 5.150 6.993 1.00 1.16 O ATOM 1237 CB PRO A 79 3.588 2.510 8.443 1.00 1.17 C ATOM 1238 CG PRO A 79 5.093 2.241 8.401 1.00 1.28 C ATOM 1239 CD PRO A 79 5.423 2.222 6.911 1.00 1.17 C ATOM 0 HA PRO A 79 2.403 2.853 6.659 1.00 1.07 H new ATOM 0 HB2 PRO A 79 3.317 3.098 9.319 1.00 1.17 H new ATOM 0 HB3 PRO A 79 3.022 1.580 8.496 1.00 1.17 H new ATOM 0 HG2 PRO A 79 5.652 3.017 8.924 1.00 1.28 H new ATOM 0 HG3 PRO A 79 5.343 1.293 8.877 1.00 1.28 H new ATOM 0 HD2 PRO A 79 6.448 2.546 6.731 1.00 1.17 H new ATOM 0 HD3 PRO A 79 5.330 1.216 6.501 1.00 1.17 H new ATOM 1247 N GLY A 80 3.850 5.533 7.930 1.00 1.29 N ATOM 1248 CA GLY A 80 3.758 6.994 7.964 1.00 1.31 C ATOM 1249 C GLY A 80 4.214 7.587 6.630 1.00 1.16 C ATOM 1250 O GLY A 80 5.347 8.047 6.513 1.00 1.44 O ATOM 0 H GLY A 80 4.700 5.171 8.362 1.00 1.29 H new ATOM 0 HA2 GLY A 80 2.731 7.296 8.172 1.00 1.31 H new ATOM 0 HA3 GLY A 80 4.375 7.385 8.773 1.00 1.31 H new ATOM 1254 N GLY A 81 3.334 7.525 5.630 1.00 0.95 N ATOM 1255 CA GLY A 81 3.547 7.931 4.238 1.00 0.91 C ATOM 1256 C GLY A 81 2.352 7.576 3.367 1.00 0.73 C ATOM 1257 O GLY A 81 1.518 8.428 3.094 1.00 0.83 O ATOM 0 H GLY A 81 2.391 7.166 5.780 1.00 0.95 H new ATOM 0 HA2 GLY A 81 3.725 9.006 4.194 1.00 0.91 H new ATOM 0 HA3 GLY A 81 4.441 7.444 3.848 1.00 0.91 H new ATOM 1261 N TYR A 82 2.261 6.308 2.964 1.00 0.66 N ATOM 1262 CA TYR A 82 1.157 5.707 2.202 1.00 0.58 C ATOM 1263 C TYR A 82 1.106 4.209 2.502 1.00 0.59 C ATOM 1264 O TYR A 82 2.136 3.585 2.714 1.00 0.68 O ATOM 1265 CB TYR A 82 1.340 5.907 0.694 1.00 0.61 C ATOM 1266 CG TYR A 82 1.518 7.347 0.277 1.00 0.65 C ATOM 1267 CD1 TYR A 82 0.398 8.178 0.085 1.00 1.76 C ATOM 1268 CD2 TYR A 82 2.820 7.862 0.142 1.00 2.23 C ATOM 1269 CE1 TYR A 82 0.580 9.536 -0.233 1.00 1.70 C ATOM 1270 CE2 TYR A 82 3.011 9.219 -0.157 1.00 2.35 C ATOM 1271 CZ TYR A 82 1.888 10.059 -0.359 1.00 0.82 C ATOM 1272 OH TYR A 82 2.069 11.368 -0.684 1.00 0.95 O ATOM 0 H TYR A 82 2.996 5.631 3.171 1.00 0.66 H new ATOM 0 HA TYR A 82 0.229 6.195 2.501 1.00 0.58 H new ATOM 0 HB2 TYR A 82 2.208 5.336 0.366 1.00 0.61 H new ATOM 0 HB3 TYR A 82 0.473 5.495 0.177 1.00 0.61 H new ATOM 0 HD1 TYR A 82 -0.599 7.774 0.182 1.00 1.76 H new ATOM 0 HD2 TYR A 82 3.673 7.212 0.269 1.00 2.23 H new ATOM 0 HE1 TYR A 82 -0.276 10.177 -0.380 1.00 1.70 H new ATOM 0 HE2 TYR A 82 4.010 9.622 -0.233 1.00 2.35 H new ATOM 0 HH TYR A 82 3.028 11.564 -0.729 1.00 0.95 H new ATOM 1282 N HIS A 83 -0.064 3.593 2.503 1.00 0.55 N ATOM 1283 CA HIS A 83 -0.197 2.169 2.814 1.00 0.56 C ATOM 1284 C HIS A 83 -1.519 1.654 2.258 1.00 0.51 C ATOM 1285 O HIS A 83 -2.462 2.434 2.124 1.00 0.54 O ATOM 1286 CB HIS A 83 -0.077 1.932 4.332 1.00 0.63 C ATOM 1287 CG HIS A 83 -0.974 2.811 5.173 1.00 0.56 C ATOM 1288 ND1 HIS A 83 -0.622 4.025 5.725 1.00 0.69 N ATOM 1289 CD2 HIS A 83 -2.291 2.586 5.495 1.00 0.67 C ATOM 1290 CE1 HIS A 83 -1.704 4.530 6.337 1.00 0.68 C ATOM 1291 NE2 HIS A 83 -2.734 3.679 6.240 1.00 0.75 N ATOM 0 H HIS A 83 -0.947 4.057 2.290 1.00 0.55 H new ATOM 0 HA HIS A 83 0.612 1.612 2.342 1.00 0.56 H new ATOM 0 HB2 HIS A 83 -0.309 0.888 4.544 1.00 0.63 H new ATOM 0 HB3 HIS A 83 0.958 2.096 4.633 1.00 0.63 H new ATOM 0 HD1 HIS A 83 0.298 4.462 5.677 1.00 0.69 H new ATOM 0 HD2 HIS A 83 -2.876 1.721 5.221 1.00 0.67 H new ATOM 0 HE1 HIS A 83 -1.739 5.487 6.837 1.00 0.68 H new ATOM 1299 N PHE A 84 -1.589 0.353 1.967 1.00 0.60 N ATOM 1300 CA PHE A 84 -2.856 -0.308 1.693 1.00 0.65 C ATOM 1301 C PHE A 84 -3.366 -0.874 3.010 1.00 0.71 C ATOM 1302 O PHE A 84 -2.872 -1.892 3.492 1.00 1.03 O ATOM 1303 CB PHE A 84 -2.691 -1.431 0.675 1.00 0.74 C ATOM 1304 CG PHE A 84 -2.479 -1.025 -0.766 1.00 0.71 C ATOM 1305 CD1 PHE A 84 -3.542 -0.469 -1.502 1.00 1.78 C ATOM 1306 CD2 PHE A 84 -1.251 -1.284 -1.402 1.00 1.83 C ATOM 1307 CE1 PHE A 84 -3.398 -0.235 -2.879 1.00 1.79 C ATOM 1308 CE2 PHE A 84 -1.092 -1.005 -2.770 1.00 1.83 C ATOM 1309 CZ PHE A 84 -2.170 -0.489 -3.509 1.00 0.73 C ATOM 0 H PHE A 84 -0.776 -0.261 1.916 1.00 0.60 H new ATOM 0 HA PHE A 84 -3.561 0.408 1.270 1.00 0.65 H new ATOM 0 HB2 PHE A 84 -1.844 -2.045 0.982 1.00 0.74 H new ATOM 0 HB3 PHE A 84 -3.577 -2.064 0.722 1.00 0.74 H new ATOM 0 HD1 PHE A 84 -4.470 -0.222 -1.007 1.00 1.78 H new ATOM 0 HD2 PHE A 84 -0.429 -1.698 -0.837 1.00 1.83 H new ATOM 0 HE1 PHE A 84 -4.232 0.140 -3.453 1.00 1.79 H new ATOM 0 HE2 PHE A 84 -0.143 -1.187 -3.253 1.00 1.83 H new ATOM 0 HZ PHE A 84 -2.053 -0.288 -4.564 1.00 0.73 H new ATOM 1319 N MET A 85 -4.354 -0.217 3.598 1.00 0.61 N ATOM 1320 CA MET A 85 -5.054 -0.713 4.776 1.00 0.66 C ATOM 1321 C MET A 85 -5.830 -1.974 4.388 1.00 0.60 C ATOM 1322 O MET A 85 -6.542 -1.967 3.384 1.00 0.64 O ATOM 1323 CB MET A 85 -5.971 0.382 5.343 1.00 0.78 C ATOM 1324 CG MET A 85 -6.249 0.164 6.831 1.00 1.07 C ATOM 1325 SD MET A 85 -5.285 1.170 7.986 1.00 1.15 S ATOM 1326 CE MET A 85 -3.670 0.369 7.869 1.00 0.74 C ATOM 0 H MET A 85 -4.697 0.685 3.268 1.00 0.61 H new ATOM 0 HA MET A 85 -4.346 -0.973 5.563 1.00 0.66 H new ATOM 0 HB2 MET A 85 -5.508 1.358 5.197 1.00 0.78 H new ATOM 0 HB3 MET A 85 -6.912 0.391 4.793 1.00 0.78 H new ATOM 0 HG2 MET A 85 -7.307 0.355 7.012 1.00 1.07 H new ATOM 0 HG3 MET A 85 -6.070 -0.886 7.062 1.00 1.07 H new ATOM 0 HE1 MET A 85 -2.939 0.939 8.442 1.00 0.74 H new ATOM 0 HE2 MET A 85 -3.736 -0.643 8.269 1.00 0.74 H new ATOM 0 HE3 MET A 85 -3.360 0.327 6.825 1.00 0.74 H new ATOM 1336 N LEU A 86 -5.661 -3.046 5.165 1.00 0.58 N ATOM 1337 CA LEU A 86 -6.231 -4.373 4.924 1.00 0.60 C ATOM 1338 C LEU A 86 -7.228 -4.698 6.040 1.00 0.68 C ATOM 1339 O LEU A 86 -6.843 -4.694 7.208 1.00 0.86 O ATOM 1340 CB LEU A 86 -5.099 -5.421 4.921 1.00 0.68 C ATOM 1341 CG LEU A 86 -3.922 -5.179 3.955 1.00 0.85 C ATOM 1342 CD1 LEU A 86 -2.975 -6.381 4.018 1.00 1.80 C ATOM 1343 CD2 LEU A 86 -4.362 -4.938 2.504 1.00 0.99 C ATOM 0 H LEU A 86 -5.099 -3.011 6.016 1.00 0.58 H new ATOM 0 HA LEU A 86 -6.741 -4.389 3.961 1.00 0.60 H new ATOM 0 HB2 LEU A 86 -4.698 -5.489 5.932 1.00 0.68 H new ATOM 0 HB3 LEU A 86 -5.536 -6.391 4.685 1.00 0.68 H new ATOM 0 HG LEU A 86 -3.420 -4.267 4.277 1.00 0.85 H new ATOM 0 HD11 LEU A 86 -2.138 -6.221 3.338 1.00 1.80 H new ATOM 0 HD12 LEU A 86 -2.600 -6.496 5.035 1.00 1.80 H new ATOM 0 HD13 LEU A 86 -3.512 -7.283 3.726 1.00 1.80 H new ATOM 0 HD21 LEU A 86 -3.483 -4.775 1.880 1.00 0.99 H new ATOM 0 HD22 LEU A 86 -4.909 -5.808 2.140 1.00 0.99 H new ATOM 0 HD23 LEU A 86 -5.006 -4.060 2.460 1.00 0.99 H new ATOM 1355 N LEU A 87 -8.490 -4.975 5.705 1.00 0.71 N ATOM 1356 CA LEU A 87 -9.563 -5.242 6.670 1.00 0.85 C ATOM 1357 C LEU A 87 -10.202 -6.621 6.406 1.00 0.92 C ATOM 1358 O LEU A 87 -10.161 -7.138 5.285 1.00 1.31 O ATOM 1359 CB LEU A 87 -10.632 -4.125 6.589 1.00 0.91 C ATOM 1360 CG LEU A 87 -10.234 -2.652 6.869 1.00 1.14 C ATOM 1361 CD1 LEU A 87 -9.507 -2.462 8.206 1.00 2.18 C ATOM 1362 CD2 LEU A 87 -9.391 -1.998 5.766 1.00 3.00 C ATOM 0 H LEU A 87 -8.803 -5.021 4.735 1.00 0.71 H new ATOM 0 HA LEU A 87 -9.137 -5.253 7.673 1.00 0.85 H new ATOM 0 HB2 LEU A 87 -11.063 -4.160 5.589 1.00 0.91 H new ATOM 0 HB3 LEU A 87 -11.427 -4.385 7.288 1.00 0.91 H new ATOM 0 HG LEU A 87 -11.200 -2.149 6.904 1.00 1.14 H new ATOM 0 HD11 LEU A 87 -9.258 -1.409 8.338 1.00 2.18 H new ATOM 0 HD12 LEU A 87 -10.154 -2.787 9.021 1.00 2.18 H new ATOM 0 HD13 LEU A 87 -8.592 -3.055 8.210 1.00 2.18 H new ATOM 0 HD21 LEU A 87 -9.159 -0.970 6.046 1.00 3.00 H new ATOM 0 HD22 LEU A 87 -8.464 -2.557 5.637 1.00 3.00 H new ATOM 0 HD23 LEU A 87 -9.950 -2.002 4.830 1.00 3.00 H new ATOM 1374 N GLY A 88 -10.813 -7.223 7.432 1.00 0.78 N ATOM 1375 CA GLY A 88 -11.539 -8.505 7.354 1.00 0.91 C ATOM 1376 C GLY A 88 -10.611 -9.709 7.528 1.00 1.43 C ATOM 1377 O GLY A 88 -10.728 -10.430 8.511 1.00 3.51 O ATOM 0 H GLY A 88 -10.819 -6.823 8.370 1.00 0.78 H new ATOM 0 HA2 GLY A 88 -12.311 -8.530 8.123 1.00 0.91 H new ATOM 0 HA3 GLY A 88 -12.045 -8.575 6.391 1.00 0.91 H new ATOM 1381 N LEU A 89 -9.687 -9.866 6.572 1.00 0.81 N ATOM 1382 CA LEU A 89 -8.478 -10.700 6.595 1.00 0.65 C ATOM 1383 C LEU A 89 -8.714 -12.214 6.453 1.00 0.70 C ATOM 1384 O LEU A 89 -9.173 -12.897 7.363 1.00 0.84 O ATOM 1385 CB LEU A 89 -7.609 -10.384 7.821 1.00 0.85 C ATOM 1386 CG LEU A 89 -7.194 -8.909 8.002 1.00 0.87 C ATOM 1387 CD1 LEU A 89 -6.338 -8.833 9.264 1.00 1.26 C ATOM 1388 CD2 LEU A 89 -6.404 -8.327 6.825 1.00 0.82 C ATOM 0 H LEU A 89 -9.774 -9.370 5.685 1.00 0.81 H new ATOM 0 HA LEU A 89 -7.939 -10.424 5.689 1.00 0.65 H new ATOM 0 HB2 LEU A 89 -8.149 -10.700 8.714 1.00 0.85 H new ATOM 0 HB3 LEU A 89 -6.704 -10.990 7.765 1.00 0.85 H new ATOM 0 HG LEU A 89 -8.105 -8.315 8.068 1.00 0.87 H new ATOM 0 HD11 LEU A 89 -6.023 -7.803 9.428 1.00 1.26 H new ATOM 0 HD12 LEU A 89 -6.920 -9.175 10.120 1.00 1.26 H new ATOM 0 HD13 LEU A 89 -5.459 -9.467 9.146 1.00 1.26 H new ATOM 0 HD21 LEU A 89 -6.152 -7.287 7.034 1.00 0.82 H new ATOM 0 HD22 LEU A 89 -5.488 -8.900 6.683 1.00 0.82 H new ATOM 0 HD23 LEU A 89 -7.009 -8.379 5.920 1.00 0.82 H new ATOM 1400 N LYS A 90 -8.302 -12.784 5.316 1.00 0.82 N ATOM 1401 CA LYS A 90 -8.446 -14.232 5.047 1.00 0.98 C ATOM 1402 C LYS A 90 -7.243 -15.074 5.531 1.00 1.24 C ATOM 1403 O LYS A 90 -7.252 -16.304 5.433 1.00 1.48 O ATOM 1404 CB LYS A 90 -8.743 -14.477 3.555 1.00 1.03 C ATOM 1405 CG LYS A 90 -9.845 -13.567 2.979 1.00 0.73 C ATOM 1406 CD LYS A 90 -10.313 -14.042 1.594 1.00 1.18 C ATOM 1407 CE LYS A 90 -11.466 -13.172 1.078 1.00 1.33 C ATOM 1408 NZ LYS A 90 -11.033 -11.940 0.382 1.00 1.78 N ATOM 0 H LYS A 90 -7.861 -12.265 4.556 1.00 0.82 H new ATOM 0 HA LYS A 90 -9.296 -14.574 5.637 1.00 0.98 H new ATOM 0 HB2 LYS A 90 -7.827 -14.328 2.983 1.00 1.03 H new ATOM 0 HB3 LYS A 90 -9.037 -15.518 3.420 1.00 1.03 H new ATOM 0 HG2 LYS A 90 -10.694 -13.547 3.662 1.00 0.73 H new ATOM 0 HG3 LYS A 90 -9.471 -12.546 2.906 1.00 0.73 H new ATOM 0 HD2 LYS A 90 -9.481 -14.004 0.891 1.00 1.18 H new ATOM 0 HD3 LYS A 90 -10.634 -15.082 1.651 1.00 1.18 H new ATOM 0 HE2 LYS A 90 -12.077 -13.765 0.397 1.00 1.33 H new ATOM 0 HE3 LYS A 90 -12.102 -12.896 1.919 1.00 1.33 H new ATOM 0 HZ1 LYS A 90 -11.865 -11.443 0.006 1.00 1.78 H new ATOM 0 HZ2 LYS A 90 -10.533 -11.320 1.051 1.00 1.78 H new ATOM 0 HZ3 LYS A 90 -10.395 -12.189 -0.401 1.00 1.78 H new ATOM 1422 N ARG A 91 -6.199 -14.419 6.053 1.00 1.35 N ATOM 1423 CA ARG A 91 -5.044 -15.025 6.725 1.00 1.65 C ATOM 1424 C ARG A 91 -4.708 -14.197 7.972 1.00 1.36 C ATOM 1425 O ARG A 91 -4.705 -12.970 7.859 1.00 1.31 O ATOM 1426 CB ARG A 91 -3.798 -15.007 5.814 1.00 2.28 C ATOM 1427 CG ARG A 91 -3.868 -15.913 4.575 1.00 1.99 C ATOM 1428 CD ARG A 91 -3.969 -17.405 4.905 1.00 1.85 C ATOM 1429 NE ARG A 91 -2.773 -17.894 5.614 1.00 2.91 N ATOM 1430 CZ ARG A 91 -2.690 -18.959 6.400 1.00 4.01 C ATOM 1431 NH1 ARG A 91 -3.751 -19.669 6.745 1.00 4.67 N ATOM 1432 NH2 ARG A 91 -1.510 -19.324 6.839 1.00 5.23 N ATOM 0 H ARG A 91 -6.134 -13.402 6.016 1.00 1.35 H new ATOM 0 HA ARG A 91 -5.299 -16.055 6.976 1.00 1.65 H new ATOM 0 HB2 ARG A 91 -3.626 -13.983 5.484 1.00 2.28 H new ATOM 0 HB3 ARG A 91 -2.932 -15.300 6.408 1.00 2.28 H new ATOM 0 HG2 ARG A 91 -4.730 -15.624 3.974 1.00 1.99 H new ATOM 0 HG3 ARG A 91 -2.982 -15.745 3.963 1.00 1.99 H new ATOM 0 HD2 ARG A 91 -4.852 -17.582 5.519 1.00 1.85 H new ATOM 0 HD3 ARG A 91 -4.102 -17.972 3.984 1.00 1.85 H new ATOM 0 HE ARG A 91 -1.916 -17.355 5.486 1.00 2.91 H new ATOM 0 HH11 ARG A 91 -4.675 -19.404 6.404 1.00 4.67 H new ATOM 0 HH12 ARG A 91 -3.645 -20.482 7.352 1.00 4.67 H new ATOM 0 HH21 ARG A 91 -0.681 -18.792 6.575 1.00 5.23 H new ATOM 0 HH22 ARG A 91 -1.421 -20.140 7.445 1.00 5.23 H new ATOM 1446 N PRO A 92 -4.373 -14.820 9.120 1.00 1.35 N ATOM 1447 CA PRO A 92 -3.646 -14.139 10.177 1.00 1.27 C ATOM 1448 C PRO A 92 -2.214 -13.925 9.685 1.00 1.49 C ATOM 1449 O PRO A 92 -1.584 -14.854 9.175 1.00 1.77 O ATOM 1450 CB PRO A 92 -3.713 -15.065 11.390 1.00 1.34 C ATOM 1451 CG PRO A 92 -3.787 -16.461 10.764 1.00 1.57 C ATOM 1452 CD PRO A 92 -4.510 -16.238 9.433 1.00 1.60 C ATOM 0 HA PRO A 92 -4.055 -13.164 10.443 1.00 1.27 H new ATOM 0 HB2 PRO A 92 -2.836 -14.956 12.028 1.00 1.34 H new ATOM 0 HB3 PRO A 92 -4.585 -14.855 12.009 1.00 1.34 H new ATOM 0 HG2 PRO A 92 -2.793 -16.882 10.612 1.00 1.57 H new ATOM 0 HG3 PRO A 92 -4.333 -17.155 11.402 1.00 1.57 H new ATOM 0 HD2 PRO A 92 -4.073 -16.853 8.646 1.00 1.60 H new ATOM 0 HD3 PRO A 92 -5.560 -16.519 9.510 1.00 1.60 H new ATOM 1460 N LEU A 93 -1.717 -12.694 9.803 1.00 1.60 N ATOM 1461 CA LEU A 93 -0.457 -12.276 9.201 1.00 1.88 C ATOM 1462 C LEU A 93 0.711 -12.740 10.080 1.00 2.06 C ATOM 1463 O LEU A 93 1.185 -11.993 10.932 1.00 2.52 O ATOM 1464 CB LEU A 93 -0.465 -10.745 8.970 1.00 1.95 C ATOM 1465 CG LEU A 93 -1.449 -10.170 7.927 1.00 2.01 C ATOM 1466 CD1 LEU A 93 -1.520 -10.982 6.627 1.00 1.57 C ATOM 1467 CD2 LEU A 93 -2.852 -9.962 8.506 1.00 2.71 C ATOM 0 H LEU A 93 -2.185 -11.953 10.325 1.00 1.60 H new ATOM 0 HA LEU A 93 -0.331 -12.742 8.224 1.00 1.88 H new ATOM 0 HB2 LEU A 93 -0.675 -10.265 9.926 1.00 1.95 H new ATOM 0 HB3 LEU A 93 0.542 -10.447 8.678 1.00 1.95 H new ATOM 0 HG LEU A 93 -1.035 -9.196 7.665 1.00 2.01 H new ATOM 0 HD11 LEU A 93 -2.231 -10.516 5.945 1.00 1.57 H new ATOM 0 HD12 LEU A 93 -0.535 -11.009 6.161 1.00 1.57 H new ATOM 0 HD13 LEU A 93 -1.844 -11.999 6.850 1.00 1.57 H new ATOM 0 HD21 LEU A 93 -3.507 -9.556 7.735 1.00 2.71 H new ATOM 0 HD22 LEU A 93 -3.248 -10.917 8.853 1.00 2.71 H new ATOM 0 HD23 LEU A 93 -2.801 -9.265 9.342 1.00 2.71 H new ATOM 1479 N LYS A 94 1.158 -13.987 9.889 1.00 1.89 N ATOM 1480 CA LYS A 94 2.324 -14.562 10.570 1.00 1.99 C ATOM 1481 C LYS A 94 3.556 -14.602 9.643 1.00 1.45 C ATOM 1482 O LYS A 94 3.443 -14.894 8.456 1.00 1.73 O ATOM 1483 CB LYS A 94 1.940 -15.917 11.210 1.00 2.67 C ATOM 1484 CG LYS A 94 1.761 -17.092 10.232 1.00 2.17 C ATOM 1485 CD LYS A 94 3.071 -17.859 9.963 1.00 2.32 C ATOM 1486 CE LYS A 94 3.217 -18.097 8.462 1.00 3.21 C ATOM 1487 NZ LYS A 94 4.549 -18.627 8.090 1.00 3.90 N ATOM 0 H LYS A 94 0.710 -14.638 9.244 1.00 1.89 H new ATOM 0 HA LYS A 94 2.632 -13.917 11.393 1.00 1.99 H new ATOM 0 HB2 LYS A 94 2.708 -16.186 11.935 1.00 2.67 H new ATOM 0 HB3 LYS A 94 1.011 -15.785 11.764 1.00 2.67 H new ATOM 0 HG2 LYS A 94 1.019 -17.782 10.634 1.00 2.17 H new ATOM 0 HG3 LYS A 94 1.367 -16.715 9.288 1.00 2.17 H new ATOM 0 HD2 LYS A 94 3.922 -17.290 10.337 1.00 2.32 H new ATOM 0 HD3 LYS A 94 3.065 -18.810 10.495 1.00 2.32 H new ATOM 0 HE2 LYS A 94 2.448 -18.797 8.134 1.00 3.21 H new ATOM 0 HE3 LYS A 94 3.043 -17.161 7.932 1.00 3.21 H new ATOM 0 HZ1 LYS A 94 4.686 -18.532 7.064 1.00 3.90 H new ATOM 0 HZ2 LYS A 94 5.288 -18.092 8.589 1.00 3.90 H new ATOM 0 HZ3 LYS A 94 4.610 -19.631 8.355 1.00 3.90 H new ATOM 1501 N ALA A 95 4.741 -14.342 10.204 1.00 1.33 N ATOM 1502 CA ALA A 95 5.978 -14.144 9.445 1.00 1.23 C ATOM 1503 C ALA A 95 6.373 -15.327 8.549 1.00 1.17 C ATOM 1504 O ALA A 95 6.175 -16.495 8.911 1.00 1.31 O ATOM 1505 CB ALA A 95 7.091 -13.730 10.414 1.00 1.58 C ATOM 0 H ALA A 95 4.869 -14.262 11.213 1.00 1.33 H new ATOM 0 HA ALA A 95 5.803 -13.341 8.729 1.00 1.23 H new ATOM 0 HB1 ALA A 95 8.018 -13.579 9.861 1.00 1.58 H new ATOM 0 HB2 ALA A 95 6.812 -12.802 10.914 1.00 1.58 H new ATOM 0 HB3 ALA A 95 7.236 -14.513 11.158 1.00 1.58 H new ATOM 1511 N GLY A 96 6.904 -15.007 7.363 1.00 1.21 N ATOM 1512 CA GLY A 96 7.236 -16.006 6.344 1.00 1.38 C ATOM 1513 C GLY A 96 5.997 -16.670 5.739 1.00 1.41 C ATOM 1514 O GLY A 96 5.902 -17.897 5.742 1.00 2.00 O ATOM 0 H GLY A 96 7.115 -14.049 7.084 1.00 1.21 H new ATOM 0 HA2 GLY A 96 7.812 -15.531 5.550 1.00 1.38 H new ATOM 0 HA3 GLY A 96 7.874 -16.772 6.786 1.00 1.38 H new ATOM 1518 N GLU A 97 5.042 -15.869 5.265 1.00 1.20 N ATOM 1519 CA GLU A 97 4.199 -16.221 4.117 1.00 1.21 C ATOM 1520 C GLU A 97 4.646 -15.355 2.932 1.00 1.08 C ATOM 1521 O GLU A 97 5.572 -14.554 3.069 1.00 1.18 O ATOM 1522 CB GLU A 97 2.696 -15.991 4.400 1.00 1.44 C ATOM 1523 CG GLU A 97 2.255 -16.600 5.725 1.00 1.55 C ATOM 1524 CD GLU A 97 0.962 -17.415 5.709 1.00 1.66 C ATOM 1525 OE1 GLU A 97 -0.136 -16.902 5.404 1.00 2.49 O ATOM 1526 OE2 GLU A 97 1.041 -18.584 6.144 1.00 2.37 O ATOM 0 H GLU A 97 4.829 -14.955 5.666 1.00 1.20 H new ATOM 0 HA GLU A 97 4.317 -17.283 3.902 1.00 1.21 H new ATOM 0 HB2 GLU A 97 2.490 -14.921 4.409 1.00 1.44 H new ATOM 0 HB3 GLU A 97 2.107 -16.422 3.591 1.00 1.44 H new ATOM 0 HG2 GLU A 97 3.057 -17.242 6.088 1.00 1.55 H new ATOM 0 HG3 GLU A 97 2.140 -15.793 6.449 1.00 1.55 H new ATOM 1533 N GLU A 98 3.949 -15.454 1.804 1.00 1.16 N ATOM 1534 CA GLU A 98 4.069 -14.495 0.709 1.00 1.07 C ATOM 1535 C GLU A 98 2.689 -13.929 0.381 1.00 1.00 C ATOM 1536 O GLU A 98 1.757 -14.654 0.037 1.00 1.41 O ATOM 1537 CB GLU A 98 4.755 -15.105 -0.523 1.00 1.32 C ATOM 1538 CG GLU A 98 4.106 -16.378 -1.089 1.00 2.82 C ATOM 1539 CD GLU A 98 4.799 -16.766 -2.387 1.00 3.47 C ATOM 1540 OE1 GLU A 98 5.961 -17.218 -2.293 1.00 3.41 O ATOM 1541 OE2 GLU A 98 4.173 -16.579 -3.453 1.00 4.74 O ATOM 0 H GLU A 98 3.282 -16.204 1.622 1.00 1.16 H new ATOM 0 HA GLU A 98 4.715 -13.677 1.029 1.00 1.07 H new ATOM 0 HB2 GLU A 98 4.781 -14.352 -1.311 1.00 1.32 H new ATOM 0 HB3 GLU A 98 5.789 -15.332 -0.264 1.00 1.32 H new ATOM 0 HG2 GLU A 98 4.183 -17.190 -0.366 1.00 2.82 H new ATOM 0 HG3 GLU A 98 3.044 -16.209 -1.267 1.00 2.82 H new ATOM 1548 N VAL A 99 2.544 -12.612 0.498 1.00 0.82 N ATOM 1549 CA VAL A 99 1.373 -11.896 -0.020 1.00 0.84 C ATOM 1550 C VAL A 99 1.625 -11.534 -1.476 1.00 0.84 C ATOM 1551 O VAL A 99 2.343 -10.581 -1.777 1.00 0.92 O ATOM 1552 CB VAL A 99 1.018 -10.647 0.809 1.00 0.88 C ATOM 1553 CG1 VAL A 99 -0.078 -9.802 0.122 1.00 0.97 C ATOM 1554 CG2 VAL A 99 0.496 -11.105 2.175 1.00 0.95 C ATOM 0 H VAL A 99 3.230 -12.009 0.952 1.00 0.82 H new ATOM 0 HA VAL A 99 0.509 -12.556 0.058 1.00 0.84 H new ATOM 0 HB VAL A 99 1.913 -10.033 0.909 1.00 0.88 H new ATOM 0 HG11 VAL A 99 -0.303 -8.929 0.735 1.00 0.97 H new ATOM 0 HG12 VAL A 99 0.274 -9.477 -0.857 1.00 0.97 H new ATOM 0 HG13 VAL A 99 -0.979 -10.403 0.002 1.00 0.97 H new ATOM 0 HG21 VAL A 99 0.239 -10.234 2.777 1.00 0.95 H new ATOM 0 HG22 VAL A 99 -0.390 -11.725 2.037 1.00 0.95 H new ATOM 0 HG23 VAL A 99 1.267 -11.683 2.684 1.00 0.95 H new ATOM 1564 N GLU A 100 0.987 -12.289 -2.366 1.00 0.83 N ATOM 1565 CA GLU A 100 0.797 -11.896 -3.760 1.00 0.90 C ATOM 1566 C GLU A 100 -0.329 -10.852 -3.882 1.00 0.74 C ATOM 1567 O GLU A 100 -1.344 -10.887 -3.173 1.00 0.84 O ATOM 1568 CB GLU A 100 0.591 -13.127 -4.660 1.00 1.33 C ATOM 1569 CG GLU A 100 -0.668 -13.968 -4.374 1.00 1.55 C ATOM 1570 CD GLU A 100 -1.643 -13.941 -5.552 1.00 2.27 C ATOM 1571 OE1 GLU A 100 -1.313 -14.491 -6.627 1.00 2.40 O ATOM 1572 OE2 GLU A 100 -2.714 -13.310 -5.429 1.00 3.50 O ATOM 0 H GLU A 100 0.584 -13.198 -2.139 1.00 0.83 H new ATOM 0 HA GLU A 100 1.705 -11.412 -4.119 1.00 0.90 H new ATOM 0 HB2 GLU A 100 0.553 -12.792 -5.697 1.00 1.33 H new ATOM 0 HB3 GLU A 100 1.464 -13.772 -4.565 1.00 1.33 H new ATOM 0 HG2 GLU A 100 -0.378 -14.998 -4.164 1.00 1.55 H new ATOM 0 HG3 GLU A 100 -1.165 -13.588 -3.481 1.00 1.55 H new ATOM 1579 N LEU A 101 -0.140 -9.873 -4.771 1.00 0.75 N ATOM 1580 CA LEU A 101 -0.979 -8.674 -4.813 1.00 0.66 C ATOM 1581 C LEU A 101 -0.987 -8.038 -6.189 1.00 0.67 C ATOM 1582 O LEU A 101 0.060 -7.842 -6.797 1.00 0.72 O ATOM 1583 CB LEU A 101 -0.649 -7.772 -3.607 1.00 0.67 C ATOM 1584 CG LEU A 101 -0.337 -6.272 -3.724 1.00 1.81 C ATOM 1585 CD1 LEU A 101 -1.404 -5.457 -4.451 1.00 3.21 C ATOM 1586 CD2 LEU A 101 -0.221 -5.737 -2.287 1.00 2.23 C ATOM 0 H LEU A 101 0.595 -9.889 -5.478 1.00 0.75 H new ATOM 0 HA LEU A 101 -2.032 -8.924 -4.683 1.00 0.66 H new ATOM 0 HB2 LEU A 101 -1.493 -7.856 -2.922 1.00 0.67 H new ATOM 0 HB3 LEU A 101 0.210 -8.225 -3.112 1.00 0.67 H new ATOM 0 HG LEU A 101 0.574 -6.168 -4.313 1.00 1.81 H new ATOM 0 HD11 LEU A 101 -1.101 -4.411 -4.487 1.00 3.21 H new ATOM 0 HD12 LEU A 101 -1.522 -5.836 -5.466 1.00 3.21 H new ATOM 0 HD13 LEU A 101 -2.352 -5.542 -3.920 1.00 3.21 H new ATOM 0 HD21 LEU A 101 0.001 -4.670 -2.313 1.00 2.23 H new ATOM 0 HD22 LEU A 101 -1.162 -5.899 -1.761 1.00 2.23 H new ATOM 0 HD23 LEU A 101 0.580 -6.262 -1.767 1.00 2.23 H new ATOM 1598 N ASP A 102 -2.191 -7.753 -6.676 1.00 0.65 N ATOM 1599 CA ASP A 102 -2.432 -7.141 -7.987 1.00 0.69 C ATOM 1600 C ASP A 102 -2.614 -5.634 -7.818 1.00 0.64 C ATOM 1601 O ASP A 102 -3.503 -5.199 -7.084 1.00 0.70 O ATOM 1602 CB ASP A 102 -3.679 -7.752 -8.636 1.00 0.87 C ATOM 1603 CG ASP A 102 -3.410 -9.070 -9.370 1.00 1.16 C ATOM 1604 OD1 ASP A 102 -2.604 -9.045 -10.324 1.00 2.32 O ATOM 1605 OD2 ASP A 102 -4.008 -10.100 -8.975 1.00 1.63 O ATOM 0 H ASP A 102 -3.050 -7.944 -6.160 1.00 0.65 H new ATOM 0 HA ASP A 102 -1.576 -7.331 -8.634 1.00 0.69 H new ATOM 0 HB2 ASP A 102 -4.432 -7.922 -7.866 1.00 0.87 H new ATOM 0 HB3 ASP A 102 -4.100 -7.034 -9.340 1.00 0.87 H new ATOM 1610 N LEU A 103 -1.767 -4.845 -8.481 1.00 0.73 N ATOM 1611 CA LEU A 103 -1.756 -3.383 -8.423 1.00 0.68 C ATOM 1612 C LEU A 103 -2.560 -2.806 -9.592 1.00 0.71 C ATOM 1613 O LEU A 103 -2.218 -3.026 -10.754 1.00 0.78 O ATOM 1614 CB LEU A 103 -0.298 -2.891 -8.469 1.00 0.65 C ATOM 1615 CG LEU A 103 0.564 -3.291 -7.254 1.00 0.74 C ATOM 1616 CD1 LEU A 103 2.019 -2.901 -7.540 1.00 1.06 C ATOM 1617 CD2 LEU A 103 0.110 -2.610 -5.954 1.00 1.15 C ATOM 0 H LEU A 103 -1.044 -5.220 -9.095 1.00 0.73 H new ATOM 0 HA LEU A 103 -2.218 -3.046 -7.495 1.00 0.68 H new ATOM 0 HB2 LEU A 103 0.172 -3.279 -9.373 1.00 0.65 H new ATOM 0 HB3 LEU A 103 -0.300 -1.804 -8.552 1.00 0.65 H new ATOM 0 HG LEU A 103 0.458 -4.366 -7.110 1.00 0.74 H new ATOM 0 HD11 LEU A 103 2.643 -3.177 -6.690 1.00 1.06 H new ATOM 0 HD12 LEU A 103 2.367 -3.423 -8.431 1.00 1.06 H new ATOM 0 HD13 LEU A 103 2.082 -1.825 -7.702 1.00 1.06 H new ATOM 0 HD21 LEU A 103 0.752 -2.928 -5.133 1.00 1.15 H new ATOM 0 HD22 LEU A 103 0.176 -1.528 -6.068 1.00 1.15 H new ATOM 0 HD23 LEU A 103 -0.921 -2.890 -5.738 1.00 1.15 H new ATOM 1629 N LEU A 104 -3.622 -2.059 -9.276 1.00 0.68 N ATOM 1630 CA LEU A 104 -4.568 -1.521 -10.259 1.00 0.75 C ATOM 1631 C LEU A 104 -4.146 -0.115 -10.696 1.00 0.71 C ATOM 1632 O LEU A 104 -4.025 0.793 -9.867 1.00 0.64 O ATOM 1633 CB LEU A 104 -5.997 -1.491 -9.677 1.00 0.79 C ATOM 1634 CG LEU A 104 -6.483 -2.760 -8.963 1.00 0.83 C ATOM 1635 CD1 LEU A 104 -7.945 -2.589 -8.528 1.00 0.91 C ATOM 1636 CD2 LEU A 104 -6.330 -4.039 -9.796 1.00 0.86 C ATOM 0 H LEU A 104 -3.852 -1.807 -8.315 1.00 0.68 H new ATOM 0 HA LEU A 104 -4.562 -2.174 -11.132 1.00 0.75 H new ATOM 0 HB2 LEU A 104 -6.059 -0.661 -8.973 1.00 0.79 H new ATOM 0 HB3 LEU A 104 -6.690 -1.273 -10.490 1.00 0.79 H new ATOM 0 HG LEU A 104 -5.839 -2.885 -8.093 1.00 0.83 H new ATOM 0 HD11 LEU A 104 -8.282 -3.494 -8.022 1.00 0.91 H new ATOM 0 HD12 LEU A 104 -8.025 -1.741 -7.847 1.00 0.91 H new ATOM 0 HD13 LEU A 104 -8.567 -2.410 -9.405 1.00 0.91 H new ATOM 0 HD21 LEU A 104 -6.695 -4.892 -9.224 1.00 0.86 H new ATOM 0 HD22 LEU A 104 -6.907 -3.945 -10.716 1.00 0.86 H new ATOM 0 HD23 LEU A 104 -5.279 -4.190 -10.041 1.00 0.86 H new ATOM 1648 N PHE A 105 -3.977 0.097 -11.999 1.00 0.78 N ATOM 1649 CA PHE A 105 -3.532 1.366 -12.573 1.00 0.80 C ATOM 1650 C PHE A 105 -4.545 1.951 -13.559 1.00 0.90 C ATOM 1651 O PHE A 105 -4.908 1.306 -14.541 1.00 1.25 O ATOM 1652 CB PHE A 105 -2.223 1.158 -13.331 1.00 0.83 C ATOM 1653 CG PHE A 105 -1.040 0.721 -12.503 1.00 0.77 C ATOM 1654 CD1 PHE A 105 -0.255 1.685 -11.849 1.00 2.16 C ATOM 1655 CD2 PHE A 105 -0.696 -0.639 -12.434 1.00 1.89 C ATOM 1656 CE1 PHE A 105 0.884 1.288 -11.132 1.00 2.09 C ATOM 1657 CE2 PHE A 105 0.431 -1.039 -11.693 1.00 1.97 C ATOM 1658 CZ PHE A 105 1.222 -0.075 -11.046 1.00 0.77 C ATOM 0 H PHE A 105 -4.149 -0.623 -12.701 1.00 0.78 H new ATOM 0 HA PHE A 105 -3.410 2.058 -11.740 1.00 0.80 H new ATOM 0 HB2 PHE A 105 -2.391 0.413 -14.109 1.00 0.83 H new ATOM 0 HB3 PHE A 105 -1.965 2.091 -13.833 1.00 0.83 H new ATOM 0 HD1 PHE A 105 -0.527 2.729 -11.898 1.00 2.16 H new ATOM 0 HD2 PHE A 105 -1.295 -1.376 -12.948 1.00 1.89 H new ATOM 0 HE1 PHE A 105 1.501 2.029 -10.646 1.00 2.09 H new ATOM 0 HE2 PHE A 105 0.688 -2.086 -11.622 1.00 1.97 H new ATOM 0 HZ PHE A 105 2.091 -0.381 -10.482 1.00 0.77 H new ATOM 1668 N ALA A 106 -4.925 3.211 -13.327 1.00 0.72 N ATOM 1669 CA ALA A 106 -5.737 4.054 -14.220 1.00 0.92 C ATOM 1670 C ALA A 106 -7.041 3.391 -14.733 1.00 1.18 C ATOM 1671 O ALA A 106 -7.554 3.759 -15.790 1.00 2.01 O ATOM 1672 CB ALA A 106 -4.826 4.544 -15.359 1.00 1.77 C ATOM 0 H ALA A 106 -4.663 3.698 -12.470 1.00 0.72 H new ATOM 0 HA ALA A 106 -6.112 4.900 -13.644 1.00 0.92 H new ATOM 0 HB1 ALA A 106 -5.400 5.173 -16.039 1.00 1.77 H new ATOM 0 HB2 ALA A 106 -4.000 5.120 -14.942 1.00 1.77 H new ATOM 0 HB3 ALA A 106 -4.431 3.686 -15.904 1.00 1.77 H new ATOM 1678 N GLY A 107 -7.533 2.363 -14.031 1.00 1.86 N ATOM 1679 CA GLY A 107 -8.548 1.426 -14.523 1.00 2.79 C ATOM 1680 C GLY A 107 -7.973 0.415 -15.523 1.00 2.28 C ATOM 1681 O GLY A 107 -8.013 -0.784 -15.269 1.00 3.24 O ATOM 0 H GLY A 107 -7.228 2.155 -13.080 1.00 1.86 H new ATOM 0 HA2 GLY A 107 -8.984 0.891 -13.679 1.00 2.79 H new ATOM 0 HA3 GLY A 107 -9.355 1.984 -14.998 1.00 2.79 H new ATOM 1685 N GLY A 108 -7.443 0.899 -16.655 1.00 1.51 N ATOM 1686 CA GLY A 108 -7.127 0.094 -17.848 1.00 1.68 C ATOM 1687 C GLY A 108 -5.886 -0.806 -17.778 1.00 1.48 C ATOM 1688 O GLY A 108 -5.572 -1.477 -18.761 1.00 1.89 O ATOM 0 H GLY A 108 -7.216 1.886 -16.771 1.00 1.51 H new ATOM 0 HA2 GLY A 108 -7.989 -0.536 -18.069 1.00 1.68 H new ATOM 0 HA3 GLY A 108 -7.004 0.774 -18.691 1.00 1.68 H new ATOM 1692 N LYS A 109 -5.164 -0.852 -16.655 1.00 1.00 N ATOM 1693 CA LYS A 109 -4.007 -1.733 -16.457 1.00 0.92 C ATOM 1694 C LYS A 109 -4.027 -2.378 -15.062 1.00 0.87 C ATOM 1695 O LYS A 109 -4.354 -1.730 -14.078 1.00 0.90 O ATOM 1696 CB LYS A 109 -2.713 -0.908 -16.644 1.00 0.95 C ATOM 1697 CG LYS A 109 -1.647 -1.485 -17.581 1.00 1.17 C ATOM 1698 CD LYS A 109 -0.806 -2.574 -16.897 1.00 2.92 C ATOM 1699 CE LYS A 109 0.380 -3.015 -17.763 1.00 4.42 C ATOM 1700 NZ LYS A 109 -0.020 -3.970 -18.826 1.00 5.85 N ATOM 0 H LYS A 109 -5.369 -0.269 -15.844 1.00 1.00 H new ATOM 0 HA LYS A 109 -4.047 -2.538 -17.191 1.00 0.92 H new ATOM 0 HB2 LYS A 109 -2.991 0.078 -17.015 1.00 0.95 H new ATOM 0 HB3 LYS A 109 -2.259 -0.764 -15.664 1.00 0.95 H new ATOM 0 HG2 LYS A 109 -2.129 -1.902 -18.465 1.00 1.17 H new ATOM 0 HG3 LYS A 109 -0.993 -0.683 -17.923 1.00 1.17 H new ATOM 0 HD2 LYS A 109 -0.438 -2.200 -15.942 1.00 2.92 H new ATOM 0 HD3 LYS A 109 -1.437 -3.436 -16.680 1.00 2.92 H new ATOM 0 HE2 LYS A 109 0.839 -2.138 -18.220 1.00 4.42 H new ATOM 0 HE3 LYS A 109 1.137 -3.477 -17.129 1.00 4.42 H new ATOM 0 HZ1 LYS A 109 0.816 -4.238 -19.384 1.00 5.85 H new ATOM 0 HZ2 LYS A 109 -0.434 -4.820 -18.392 1.00 5.85 H new ATOM 0 HZ3 LYS A 109 -0.723 -3.522 -19.448 1.00 5.85 H new ATOM 1714 N VAL A 110 -3.541 -3.611 -14.963 1.00 0.91 N ATOM 1715 CA VAL A 110 -3.162 -4.271 -13.708 1.00 0.91 C ATOM 1716 C VAL A 110 -1.860 -5.056 -13.906 1.00 1.03 C ATOM 1717 O VAL A 110 -1.580 -5.510 -15.023 1.00 1.25 O ATOM 1718 CB VAL A 110 -4.325 -5.139 -13.164 1.00 0.86 C ATOM 1719 CG1 VAL A 110 -4.908 -6.071 -14.239 1.00 0.95 C ATOM 1720 CG2 VAL A 110 -3.953 -5.963 -11.923 1.00 0.91 C ATOM 0 H VAL A 110 -3.393 -4.203 -15.780 1.00 0.91 H new ATOM 0 HA VAL A 110 -2.969 -3.519 -12.943 1.00 0.91 H new ATOM 0 HB VAL A 110 -5.085 -4.417 -12.864 1.00 0.86 H new ATOM 0 HG11 VAL A 110 -5.720 -6.659 -13.810 1.00 0.95 H new ATOM 0 HG12 VAL A 110 -5.290 -5.476 -15.068 1.00 0.95 H new ATOM 0 HG13 VAL A 110 -4.128 -6.740 -14.602 1.00 0.95 H new ATOM 0 HG21 VAL A 110 -4.817 -6.544 -11.600 1.00 0.91 H new ATOM 0 HG22 VAL A 110 -3.132 -6.637 -12.167 1.00 0.91 H new ATOM 0 HG23 VAL A 110 -3.646 -5.293 -11.120 1.00 0.91 H new ATOM 1730 N LEU A 111 -1.055 -5.156 -12.843 1.00 0.93 N ATOM 1731 CA LEU A 111 0.192 -5.927 -12.764 1.00 0.95 C ATOM 1732 C LEU A 111 0.329 -6.546 -11.365 1.00 0.93 C ATOM 1733 O LEU A 111 0.178 -5.844 -10.365 1.00 1.04 O ATOM 1734 CB LEU A 111 1.398 -4.997 -13.021 1.00 1.13 C ATOM 1735 CG LEU A 111 1.562 -4.495 -14.464 1.00 1.35 C ATOM 1736 CD1 LEU A 111 2.676 -3.439 -14.526 1.00 1.71 C ATOM 1737 CD2 LEU A 111 1.885 -5.638 -15.440 1.00 1.79 C ATOM 0 H LEU A 111 -1.266 -4.676 -11.968 1.00 0.93 H new ATOM 0 HA LEU A 111 0.169 -6.716 -13.516 1.00 0.95 H new ATOM 0 HB2 LEU A 111 1.312 -4.132 -12.363 1.00 1.13 H new ATOM 0 HB3 LEU A 111 2.307 -5.526 -12.735 1.00 1.13 H new ATOM 0 HG LEU A 111 0.611 -4.056 -14.767 1.00 1.35 H new ATOM 0 HD11 LEU A 111 2.787 -3.087 -15.552 1.00 1.71 H new ATOM 0 HD12 LEU A 111 2.418 -2.600 -13.880 1.00 1.71 H new ATOM 0 HD13 LEU A 111 3.614 -3.880 -14.190 1.00 1.71 H new ATOM 0 HD21 LEU A 111 1.992 -5.237 -16.448 1.00 1.79 H new ATOM 0 HD22 LEU A 111 2.816 -6.120 -15.141 1.00 1.79 H new ATOM 0 HD23 LEU A 111 1.076 -6.369 -15.425 1.00 1.79 H new ATOM 1749 N LYS A 112 0.667 -7.835 -11.280 1.00 0.95 N ATOM 1750 CA LYS A 112 0.864 -8.510 -9.989 1.00 1.02 C ATOM 1751 C LYS A 112 2.292 -8.332 -9.439 1.00 1.09 C ATOM 1752 O LYS A 112 3.257 -8.425 -10.196 1.00 1.41 O ATOM 1753 CB LYS A 112 0.460 -9.995 -10.106 1.00 1.18 C ATOM 1754 CG LYS A 112 -0.041 -10.527 -8.749 1.00 1.66 C ATOM 1755 CD LYS A 112 -0.817 -11.844 -8.850 1.00 1.52 C ATOM 1756 CE LYS A 112 0.069 -13.010 -9.302 1.00 1.73 C ATOM 1757 NZ LYS A 112 -0.676 -14.287 -9.218 1.00 2.16 N ATOM 0 H LYS A 112 0.811 -8.436 -12.091 1.00 0.95 H new ATOM 0 HA LYS A 112 0.212 -8.034 -9.256 1.00 1.02 H new ATOM 0 HB2 LYS A 112 -0.321 -10.107 -10.858 1.00 1.18 H new ATOM 0 HB3 LYS A 112 1.313 -10.585 -10.442 1.00 1.18 H new ATOM 0 HG2 LYS A 112 0.813 -10.669 -8.087 1.00 1.66 H new ATOM 0 HG3 LYS A 112 -0.680 -9.774 -8.287 1.00 1.66 H new ATOM 0 HD2 LYS A 112 -1.256 -12.079 -7.880 1.00 1.52 H new ATOM 0 HD3 LYS A 112 -1.642 -11.724 -9.553 1.00 1.52 H new ATOM 0 HE2 LYS A 112 0.405 -12.844 -10.326 1.00 1.73 H new ATOM 0 HE3 LYS A 112 0.961 -13.060 -8.678 1.00 1.73 H new ATOM 0 HZ1 LYS A 112 -0.047 -15.073 -9.479 1.00 2.16 H new ATOM 0 HZ2 LYS A 112 -1.019 -14.425 -8.246 1.00 2.16 H new ATOM 0 HZ3 LYS A 112 -1.486 -14.260 -9.870 1.00 2.16 H new ATOM 1771 N VAL A 113 2.428 -8.139 -8.125 1.00 0.89 N ATOM 1772 CA VAL A 113 3.691 -8.151 -7.359 1.00 0.94 C ATOM 1773 C VAL A 113 3.579 -9.158 -6.202 1.00 0.90 C ATOM 1774 O VAL A 113 2.513 -9.751 -6.019 1.00 0.89 O ATOM 1775 CB VAL A 113 4.051 -6.743 -6.828 1.00 1.00 C ATOM 1776 CG1 VAL A 113 4.351 -5.775 -7.984 1.00 1.22 C ATOM 1777 CG2 VAL A 113 2.954 -6.165 -5.921 1.00 1.16 C ATOM 0 H VAL A 113 1.620 -7.960 -7.528 1.00 0.89 H new ATOM 0 HA VAL A 113 4.496 -8.456 -8.027 1.00 0.94 H new ATOM 0 HB VAL A 113 4.951 -6.858 -6.224 1.00 1.00 H new ATOM 0 HG11 VAL A 113 4.601 -4.793 -7.581 1.00 1.22 H new ATOM 0 HG12 VAL A 113 5.191 -6.153 -8.566 1.00 1.22 H new ATOM 0 HG13 VAL A 113 3.474 -5.691 -8.625 1.00 1.22 H new ATOM 0 HG21 VAL A 113 3.253 -5.176 -5.573 1.00 1.16 H new ATOM 0 HG22 VAL A 113 2.022 -6.086 -6.481 1.00 1.16 H new ATOM 0 HG23 VAL A 113 2.807 -6.822 -5.064 1.00 1.16 H new ATOM 1787 N VAL A 114 4.649 -9.354 -5.423 1.00 1.07 N ATOM 1788 CA VAL A 114 4.666 -10.323 -4.314 1.00 0.95 C ATOM 1789 C VAL A 114 5.704 -9.932 -3.260 1.00 0.87 C ATOM 1790 O VAL A 114 6.774 -9.433 -3.603 1.00 1.07 O ATOM 1791 CB VAL A 114 4.838 -11.781 -4.817 1.00 1.15 C ATOM 1792 CG1 VAL A 114 6.156 -12.015 -5.574 1.00 1.56 C ATOM 1793 CG2 VAL A 114 4.704 -12.799 -3.676 1.00 1.93 C ATOM 0 H VAL A 114 5.527 -8.848 -5.541 1.00 1.07 H new ATOM 0 HA VAL A 114 3.691 -10.290 -3.827 1.00 0.95 H new ATOM 0 HB VAL A 114 4.025 -11.934 -5.527 1.00 1.15 H new ATOM 0 HG11 VAL A 114 6.210 -13.055 -5.897 1.00 1.56 H new ATOM 0 HG12 VAL A 114 6.196 -11.362 -6.446 1.00 1.56 H new ATOM 0 HG13 VAL A 114 6.997 -11.795 -4.917 1.00 1.56 H new ATOM 0 HG21 VAL A 114 4.831 -13.807 -4.071 1.00 1.93 H new ATOM 0 HG22 VAL A 114 5.469 -12.605 -2.924 1.00 1.93 H new ATOM 0 HG23 VAL A 114 3.717 -12.709 -3.222 1.00 1.93 H new ATOM 1803 N LEU A 115 5.351 -10.116 -1.983 1.00 0.80 N ATOM 1804 CA LEU A 115 6.115 -9.645 -0.824 1.00 0.95 C ATOM 1805 C LEU A 115 5.785 -10.427 0.472 1.00 0.81 C ATOM 1806 O LEU A 115 4.670 -10.940 0.598 1.00 0.91 O ATOM 1807 CB LEU A 115 5.929 -8.124 -0.661 1.00 1.44 C ATOM 1808 CG LEU A 115 4.466 -7.633 -0.566 1.00 1.50 C ATOM 1809 CD1 LEU A 115 4.444 -6.421 0.360 1.00 2.33 C ATOM 1810 CD2 LEU A 115 3.882 -7.203 -1.921 1.00 2.23 C ATOM 0 H LEU A 115 4.499 -10.612 -1.720 1.00 0.80 H new ATOM 0 HA LEU A 115 7.170 -9.844 -1.011 1.00 0.95 H new ATOM 0 HB2 LEU A 115 6.458 -7.806 0.237 1.00 1.44 H new ATOM 0 HB3 LEU A 115 6.406 -7.626 -1.505 1.00 1.44 H new ATOM 0 HG LEU A 115 3.862 -8.462 -0.198 1.00 1.50 H new ATOM 0 HD11 LEU A 115 3.423 -6.049 0.449 1.00 2.33 H new ATOM 0 HD12 LEU A 115 4.812 -6.709 1.345 1.00 2.33 H new ATOM 0 HD13 LEU A 115 5.081 -5.638 -0.051 1.00 2.33 H new ATOM 0 HD21 LEU A 115 2.853 -6.869 -1.784 1.00 2.23 H new ATOM 0 HD22 LEU A 115 4.477 -6.387 -2.331 1.00 2.23 H new ATOM 0 HD23 LEU A 115 3.901 -8.047 -2.610 1.00 2.23 H new ATOM 1822 N PRO A 116 6.724 -10.531 1.434 1.00 0.82 N ATOM 1823 CA PRO A 116 6.537 -11.256 2.694 1.00 0.88 C ATOM 1824 C PRO A 116 5.727 -10.439 3.728 1.00 0.85 C ATOM 1825 O PRO A 116 5.113 -9.431 3.382 1.00 0.97 O ATOM 1826 CB PRO A 116 7.961 -11.610 3.124 1.00 1.00 C ATOM 1827 CG PRO A 116 8.750 -10.381 2.677 1.00 1.04 C ATOM 1828 CD PRO A 116 8.110 -10.092 1.322 1.00 0.93 C ATOM 0 HA PRO A 116 5.929 -12.155 2.592 1.00 0.88 H new ATOM 0 HB2 PRO A 116 8.033 -11.771 4.200 1.00 1.00 H new ATOM 0 HB3 PRO A 116 8.317 -12.520 2.641 1.00 1.00 H new ATOM 0 HG2 PRO A 116 8.640 -9.547 3.370 1.00 1.04 H new ATOM 0 HG3 PRO A 116 9.817 -10.586 2.592 1.00 1.04 H new ATOM 0 HD2 PRO A 116 8.165 -9.030 1.082 1.00 0.93 H new ATOM 0 HD3 PRO A 116 8.626 -10.626 0.524 1.00 0.93 H new ATOM 1836 N VAL A 117 5.650 -10.895 4.986 1.00 1.17 N ATOM 1837 CA VAL A 117 4.668 -10.513 5.998 1.00 1.07 C ATOM 1838 C VAL A 117 5.334 -10.304 7.381 1.00 1.38 C ATOM 1839 O VAL A 117 5.365 -11.212 8.205 1.00 2.24 O ATOM 1840 CB VAL A 117 3.607 -11.635 6.076 1.00 1.02 C ATOM 1841 CG1 VAL A 117 2.529 -11.253 7.082 1.00 1.35 C ATOM 1842 CG2 VAL A 117 2.929 -11.913 4.723 1.00 1.03 C ATOM 0 H VAL A 117 6.315 -11.582 5.341 1.00 1.17 H new ATOM 0 HA VAL A 117 4.206 -9.566 5.720 1.00 1.07 H new ATOM 0 HB VAL A 117 4.132 -12.540 6.382 1.00 1.02 H new ATOM 0 HG11 VAL A 117 1.783 -12.046 7.134 1.00 1.35 H new ATOM 0 HG12 VAL A 117 2.981 -11.114 8.064 1.00 1.35 H new ATOM 0 HG13 VAL A 117 2.051 -10.325 6.768 1.00 1.35 H new ATOM 0 HG21 VAL A 117 2.195 -12.710 4.841 1.00 1.03 H new ATOM 0 HG22 VAL A 117 2.431 -11.009 4.373 1.00 1.03 H new ATOM 0 HG23 VAL A 117 3.681 -12.218 3.995 1.00 1.03 H new ATOM 1852 N GLU A 118 5.885 -9.120 7.670 1.00 1.08 N ATOM 1853 CA GLU A 118 6.705 -8.872 8.871 1.00 1.11 C ATOM 1854 C GLU A 118 6.273 -7.641 9.701 1.00 1.53 C ATOM 1855 O GLU A 118 5.347 -6.900 9.368 1.00 1.94 O ATOM 1856 CB GLU A 118 8.204 -8.840 8.496 1.00 1.26 C ATOM 1857 CG GLU A 118 8.787 -10.237 8.188 1.00 2.12 C ATOM 1858 CD GLU A 118 8.355 -10.793 6.832 1.00 3.98 C ATOM 1859 OE1 GLU A 118 8.517 -10.052 5.845 1.00 4.75 O ATOM 1860 OE2 GLU A 118 7.825 -11.934 6.769 1.00 5.48 O ATOM 0 H GLU A 118 5.776 -8.298 7.076 1.00 1.08 H new ATOM 0 HA GLU A 118 6.531 -9.712 9.544 1.00 1.11 H new ATOM 0 HB2 GLU A 118 8.340 -8.197 7.626 1.00 1.26 H new ATOM 0 HB3 GLU A 118 8.767 -8.392 9.315 1.00 1.26 H new ATOM 0 HG2 GLU A 118 9.875 -10.183 8.219 1.00 2.12 H new ATOM 0 HG3 GLU A 118 8.480 -10.931 8.971 1.00 2.12 H new ATOM 1867 N ALA A 119 6.896 -7.470 10.871 1.00 1.68 N ATOM 1868 CA ALA A 119 6.457 -6.543 11.917 1.00 2.13 C ATOM 1869 C ALA A 119 6.989 -5.109 11.731 1.00 2.34 C ATOM 1870 O ALA A 119 8.158 -4.903 11.402 1.00 3.27 O ATOM 1871 CB ALA A 119 6.882 -7.120 13.276 1.00 2.56 C ATOM 0 H ALA A 119 7.740 -7.985 11.122 1.00 1.68 H new ATOM 0 HA ALA A 119 5.372 -6.452 11.858 1.00 2.13 H new ATOM 0 HB1 ALA A 119 6.566 -6.446 14.072 1.00 2.56 H new ATOM 0 HB2 ALA A 119 6.416 -8.095 13.419 1.00 2.56 H new ATOM 0 HB3 ALA A 119 7.966 -7.229 13.302 1.00 2.56 H new ATOM 1877 N ARG A 120 6.140 -4.122 12.051 1.00 2.25 N ATOM 1878 CA ARG A 120 6.445 -2.682 12.107 1.00 2.38 C ATOM 1879 C ARG A 120 5.338 -1.900 12.823 1.00 2.63 C ATOM 1880 O ARG A 120 5.629 -0.766 13.257 1.00 3.30 O ATOM 1881 CB ARG A 120 6.772 -2.131 10.692 1.00 2.63 C ATOM 1882 CG ARG A 120 8.257 -1.729 10.530 1.00 3.01 C ATOM 1883 CD ARG A 120 8.577 -0.301 11.009 1.00 4.19 C ATOM 1884 NE ARG A 120 8.094 -0.068 12.375 1.00 4.91 N ATOM 1885 CZ ARG A 120 8.698 -0.308 13.517 1.00 5.73 C ATOM 1886 NH1 ARG A 120 9.982 -0.477 13.621 1.00 6.03 N ATOM 1887 NH2 ARG A 120 7.966 -0.420 14.581 1.00 6.85 N ATOM 1888 OXT ARG A 120 4.234 -2.456 12.990 1.00 3.04 O ATOM 0 H ARG A 120 5.168 -4.316 12.291 1.00 2.25 H new ATOM 0 HA ARG A 120 7.343 -2.541 12.709 1.00 2.38 H new ATOM 0 HB2 ARG A 120 6.522 -2.886 9.947 1.00 2.63 H new ATOM 0 HB3 ARG A 120 6.142 -1.264 10.491 1.00 2.63 H new ATOM 0 HG2 ARG A 120 8.876 -2.434 11.085 1.00 3.01 H new ATOM 0 HG3 ARG A 120 8.534 -1.819 9.480 1.00 3.01 H new ATOM 0 HD2 ARG A 120 9.654 -0.136 10.970 1.00 4.19 H new ATOM 0 HD3 ARG A 120 8.120 0.421 10.333 1.00 4.19 H new ATOM 0 HE ARG A 120 7.160 0.336 12.448 1.00 4.91 H new ATOM 0 HH11 ARG A 120 10.572 -0.426 12.791 1.00 6.03 H new ATOM 0 HH12 ARG A 120 10.400 -0.661 14.533 1.00 6.03 H new ATOM 0 HH21 ARG A 120 6.953 -0.322 14.516 1.00 6.85 H new ATOM 0 HH22 ARG A 120 8.403 -0.606 15.484 1.00 6.85 H new