USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 LYS NZ :NH3+ 147:sc= 1.06 (180deg=-0.462) USER MOD Set 1.2: A 29 ASN : amide:sc= 0.92 K(o=2.1,f=-16!) USER MOD Set 1.3: A 76 GLN : amide:sc= 0.149 X(o=2.1,f=1.9) USER MOD Single : A 12 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -170:sc= 0.0167 (180deg=0.00788) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 141:sc= -0.0189 (180deg=-2.08!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0.395 USER MOD Single : A 38 SER OG : rot -116:sc= 0.671 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0325) USER MOD Single : A 52 HIS : no HE2:sc= 0.429 K(o=0.43,f=-3.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= -0.0592 (180deg=-0.843) USER MOD Single : A 65 ASN : amide:sc= -1.8 K(o=-1.8,f=-4.4!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 83:sc= 1.87 USER MOD Single : A 83 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 86 SER OG : rot 4:sc= 0.152 USER MOD Single : A 91 SER OG : rot -91:sc= 0.13 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N PRO A 6 3.966 -5.451 8.659 1.00 74.42 N ATOM 80 CA PRO A 6 4.358 -6.171 9.887 1.00 2.50 C ATOM 81 C PRO A 6 3.163 -6.736 10.680 1.00 2.41 C ATOM 82 O PRO A 6 2.092 -6.125 10.738 1.00 34.52 O ATOM 83 CB PRO A 6 5.080 -5.095 10.711 1.00 70.44 C ATOM 84 CG PRO A 6 5.578 -4.117 9.702 1.00 52.40 C ATOM 85 CD PRO A 6 4.542 -4.091 8.610 1.00 50.14 C ATOM 0 HA PRO A 6 4.965 -7.046 9.654 1.00 2.50 H new ATOM 0 HB2 PRO A 6 4.404 -4.621 11.422 1.00 70.44 H new ATOM 0 HB3 PRO A 6 5.901 -5.522 11.288 1.00 70.44 H new ATOM 0 HG2 PRO A 6 5.705 -3.129 10.144 1.00 52.40 H new ATOM 0 HG3 PRO A 6 6.550 -4.418 9.312 1.00 52.40 H new ATOM 0 HD2 PRO A 6 3.786 -3.327 8.790 1.00 50.14 H new ATOM 0 HD3 PRO A 6 4.987 -3.877 7.638 1.00 50.14 H new ATOM 93 N ILE A 7 3.351 -7.907 11.286 1.00 61.12 N ATOM 94 CA ILE A 7 2.319 -8.523 12.124 1.00 35.41 C ATOM 95 C ILE A 7 2.121 -7.706 13.413 1.00 64.50 C ATOM 96 O ILE A 7 2.846 -7.880 14.392 1.00 54.24 O ATOM 97 CB ILE A 7 2.659 -10.004 12.484 1.00 64.35 C ATOM 98 CG1 ILE A 7 2.661 -10.909 11.231 1.00 0.05 C ATOM 99 CG2 ILE A 7 1.679 -10.552 13.525 1.00 55.13 C ATOM 100 CD1 ILE A 7 3.793 -10.645 10.253 1.00 63.15 C ATOM 0 H ILE A 7 4.211 -8.451 11.213 1.00 61.12 H new ATOM 0 HA ILE A 7 1.395 -8.526 11.546 1.00 35.41 H new ATOM 0 HB ILE A 7 3.663 -10.010 12.908 1.00 64.35 H new ATOM 0 HG12 ILE A 7 2.713 -11.949 11.552 1.00 0.05 H new ATOM 0 HG13 ILE A 7 1.712 -10.784 10.709 1.00 0.05 H new ATOM 0 HG21 ILE A 7 1.937 -11.585 13.759 1.00 55.13 H new ATOM 0 HG22 ILE A 7 1.736 -9.949 14.431 1.00 55.13 H new ATOM 0 HG23 ILE A 7 0.665 -10.512 13.127 1.00 55.13 H new ATOM 0 HD11 ILE A 7 3.710 -11.328 9.408 1.00 63.15 H new ATOM 0 HD12 ILE A 7 3.733 -9.617 9.896 1.00 63.15 H new ATOM 0 HD13 ILE A 7 4.749 -10.801 10.753 1.00 63.15 H new ATOM 112 N GLU A 8 1.154 -6.793 13.390 1.00 13.13 N ATOM 113 CA GLU A 8 0.896 -5.908 14.530 1.00 72.24 C ATOM 114 C GLU A 8 -0.092 -6.553 15.513 1.00 62.32 C ATOM 115 O GLU A 8 -1.259 -6.778 15.183 1.00 35.03 O ATOM 116 CB GLU A 8 0.369 -4.547 14.026 1.00 1.44 C ATOM 117 CG GLU A 8 0.348 -3.429 15.077 1.00 44.23 C ATOM 118 CD GLU A 8 -0.859 -3.475 16.006 1.00 2.04 C ATOM 119 OE1 GLU A 8 -1.908 -2.899 15.654 1.00 13.14 O ATOM 120 OE2 GLU A 8 -0.765 -4.075 17.092 1.00 4.44 O ATOM 0 H GLU A 8 0.533 -6.644 12.594 1.00 13.13 H new ATOM 0 HA GLU A 8 1.831 -5.744 15.066 1.00 72.24 H new ATOM 0 HB2 GLU A 8 0.985 -4.224 13.187 1.00 1.44 H new ATOM 0 HB3 GLU A 8 -0.643 -4.685 13.644 1.00 1.44 H new ATOM 0 HG2 GLU A 8 1.257 -3.490 15.676 1.00 44.23 H new ATOM 0 HG3 GLU A 8 0.365 -2.465 14.568 1.00 44.23 H new ATOM 127 N ILE A 9 0.389 -6.865 16.717 1.00 23.00 N ATOM 128 CA ILE A 9 -0.451 -7.450 17.769 1.00 64.42 C ATOM 129 C ILE A 9 -0.261 -6.710 19.106 1.00 12.13 C ATOM 130 O ILE A 9 0.839 -6.695 19.667 1.00 62.23 O ATOM 131 CB ILE A 9 -0.135 -8.957 17.980 1.00 40.41 C ATOM 132 CG1 ILE A 9 -0.312 -9.746 16.669 1.00 65.31 C ATOM 133 CG2 ILE A 9 -1.018 -9.541 19.084 1.00 0.10 C ATOM 134 CD1 ILE A 9 0.019 -11.220 16.787 1.00 62.13 C ATOM 0 H ILE A 9 1.361 -6.722 16.991 1.00 23.00 H new ATOM 0 HA ILE A 9 -1.485 -7.346 17.439 1.00 64.42 H new ATOM 0 HB ILE A 9 0.907 -9.045 18.288 1.00 40.41 H new ATOM 0 HG12 ILE A 9 -1.343 -9.642 16.331 1.00 65.31 H new ATOM 0 HG13 ILE A 9 0.322 -9.302 15.901 1.00 65.31 H new ATOM 0 HG21 ILE A 9 -0.783 -10.597 19.218 1.00 0.10 H new ATOM 0 HG22 ILE A 9 -0.835 -9.007 20.017 1.00 0.10 H new ATOM 0 HG23 ILE A 9 -2.066 -9.435 18.805 1.00 0.10 H new ATOM 0 HD11 ILE A 9 -0.131 -11.705 15.822 1.00 62.13 H new ATOM 0 HD12 ILE A 9 1.058 -11.336 17.094 1.00 62.13 H new ATOM 0 HD13 ILE A 9 -0.632 -11.681 17.530 1.00 62.13 H new ATOM 146 N ALA A 10 -1.334 -6.089 19.602 1.00 2.45 N ATOM 147 CA ALA A 10 -1.314 -5.378 20.891 1.00 50.52 C ATOM 148 C ALA A 10 -0.265 -4.247 20.924 1.00 25.33 C ATOM 149 O ALA A 10 0.230 -3.875 21.989 1.00 73.25 O ATOM 150 CB ALA A 10 -1.077 -6.367 22.031 1.00 50.42 C ATOM 0 H ALA A 10 -2.237 -6.062 19.128 1.00 2.45 H new ATOM 0 HA ALA A 10 -2.288 -4.907 21.019 1.00 50.52 H new ATOM 0 HB1 ALA A 10 -1.064 -5.832 22.980 1.00 50.42 H new ATOM 0 HB2 ALA A 10 -1.877 -7.107 22.043 1.00 50.42 H new ATOM 0 HB3 ALA A 10 -0.121 -6.869 21.884 1.00 50.42 H new ATOM 156 N GLY A 11 0.052 -3.693 19.757 1.00 34.51 N ATOM 157 CA GLY A 11 1.047 -2.625 19.664 1.00 74.44 C ATOM 158 C GLY A 11 2.437 -3.131 19.283 1.00 74.24 C ATOM 159 O GLY A 11 3.363 -2.343 19.101 1.00 54.14 O ATOM 0 H GLY A 11 -0.363 -3.963 18.865 1.00 34.51 H new ATOM 0 HA2 GLY A 11 0.718 -1.894 18.925 1.00 74.44 H new ATOM 0 HA3 GLY A 11 1.105 -2.107 20.621 1.00 74.44 H new ATOM 163 N HIS A 12 2.587 -4.449 19.173 1.00 33.40 N ATOM 164 CA HIS A 12 3.872 -5.057 18.811 1.00 64.21 C ATOM 165 C HIS A 12 3.904 -5.421 17.318 1.00 61.31 C ATOM 166 O HIS A 12 3.211 -6.339 16.881 1.00 24.13 O ATOM 167 CB HIS A 12 4.117 -6.313 19.659 1.00 75.55 C ATOM 168 CG HIS A 12 4.104 -6.065 21.138 1.00 1.33 C ATOM 169 ND1 HIS A 12 5.247 -6.015 21.906 1.00 74.30 N ATOM 170 CD2 HIS A 12 3.073 -5.876 21.998 1.00 15.31 C ATOM 171 CE1 HIS A 12 4.924 -5.809 23.165 1.00 2.10 C ATOM 172 NE2 HIS A 12 3.613 -5.719 23.250 1.00 65.01 N ATOM 0 H HIS A 12 1.835 -5.120 19.329 1.00 33.40 H new ATOM 0 HA HIS A 12 4.661 -4.331 19.006 1.00 64.21 H new ATOM 0 HB2 HIS A 12 3.355 -7.055 19.419 1.00 75.55 H new ATOM 0 HB3 HIS A 12 5.079 -6.743 19.382 1.00 75.55 H new ATOM 0 HD2 HIS A 12 2.023 -5.853 21.745 1.00 15.31 H new ATOM 0 HE1 HIS A 12 5.617 -5.728 23.989 1.00 2.10 H new ATOM 0 HE2 HIS A 12 3.084 -5.559 24.107 1.00 65.01 H new ATOM 181 N GLU A 13 4.698 -4.690 16.539 1.00 14.44 N ATOM 182 CA GLU A 13 4.810 -4.938 15.097 1.00 25.24 C ATOM 183 C GLU A 13 5.958 -5.906 14.778 1.00 43.34 C ATOM 184 O GLU A 13 7.134 -5.561 14.903 1.00 72.31 O ATOM 185 CB GLU A 13 5.020 -3.618 14.342 1.00 23.13 C ATOM 186 CG GLU A 13 3.880 -2.622 14.517 1.00 61.44 C ATOM 187 CD GLU A 13 4.066 -1.365 13.684 1.00 52.44 C ATOM 188 OE1 GLU A 13 4.731 -0.421 14.162 1.00 52.24 O ATOM 189 OE2 GLU A 13 3.548 -1.318 12.549 1.00 12.40 O ATOM 0 H GLU A 13 5.275 -3.920 16.879 1.00 14.44 H new ATOM 0 HA GLU A 13 3.877 -5.398 14.770 1.00 25.24 H new ATOM 0 HB2 GLU A 13 5.947 -3.158 14.684 1.00 23.13 H new ATOM 0 HB3 GLU A 13 5.143 -3.833 13.280 1.00 23.13 H new ATOM 0 HG2 GLU A 13 2.940 -3.100 14.241 1.00 61.44 H new ATOM 0 HG3 GLU A 13 3.801 -2.347 15.569 1.00 61.44 H new ATOM 196 N PHE A 14 5.610 -7.121 14.369 1.00 15.11 N ATOM 197 CA PHE A 14 6.606 -8.132 13.995 1.00 33.12 C ATOM 198 C PHE A 14 6.758 -8.227 12.468 1.00 51.14 C ATOM 199 O PHE A 14 5.897 -8.784 11.790 1.00 11.31 O ATOM 200 CB PHE A 14 6.204 -9.505 14.552 1.00 74.42 C ATOM 201 CG PHE A 14 5.909 -9.507 16.032 1.00 33.34 C ATOM 202 CD1 PHE A 14 6.939 -9.548 16.962 1.00 5.21 C ATOM 203 CD2 PHE A 14 4.600 -9.478 16.494 1.00 3.12 C ATOM 204 CE1 PHE A 14 6.670 -9.561 18.317 1.00 22.42 C ATOM 205 CE2 PHE A 14 4.328 -9.490 17.848 1.00 61.12 C ATOM 206 CZ PHE A 14 5.365 -9.531 18.760 1.00 54.13 C ATOM 0 H PHE A 14 4.643 -7.435 14.286 1.00 15.11 H new ATOM 0 HA PHE A 14 7.562 -7.828 14.422 1.00 33.12 H new ATOM 0 HB2 PHE A 14 5.323 -9.859 14.016 1.00 74.42 H new ATOM 0 HB3 PHE A 14 7.006 -10.216 14.351 1.00 74.42 H new ATOM 0 HD1 PHE A 14 7.964 -9.570 16.622 1.00 5.21 H new ATOM 0 HD2 PHE A 14 3.785 -9.446 15.786 1.00 3.12 H new ATOM 0 HE1 PHE A 14 7.482 -9.595 19.029 1.00 22.42 H new ATOM 0 HE2 PHE A 14 3.305 -9.467 18.194 1.00 61.12 H new ATOM 0 HZ PHE A 14 5.153 -9.540 19.819 1.00 54.13 H new ATOM 216 N ALA A 15 7.840 -7.670 11.927 1.00 65.12 N ATOM 217 CA ALA A 15 8.125 -7.766 10.487 1.00 3.34 C ATOM 218 C ALA A 15 8.385 -9.222 10.062 1.00 52.32 C ATOM 219 O ALA A 15 8.185 -9.595 8.904 1.00 50.42 O ATOM 220 CB ALA A 15 9.318 -6.886 10.127 1.00 65.04 C ATOM 0 H ALA A 15 8.536 -7.147 12.459 1.00 65.12 H new ATOM 0 HA ALA A 15 7.247 -7.413 9.946 1.00 3.34 H new ATOM 0 HB1 ALA A 15 9.519 -6.965 9.059 1.00 65.04 H new ATOM 0 HB2 ALA A 15 9.094 -5.849 10.378 1.00 65.04 H new ATOM 0 HB3 ALA A 15 10.194 -7.214 10.687 1.00 65.04 H new ATOM 226 N ARG A 16 8.846 -10.038 11.007 1.00 41.03 N ATOM 227 CA ARG A 16 9.083 -11.463 10.762 1.00 13.32 C ATOM 228 C ARG A 16 8.064 -12.333 11.524 1.00 22.52 C ATOM 229 O ARG A 16 7.861 -12.155 12.725 1.00 14.43 O ATOM 230 CB ARG A 16 10.508 -11.837 11.204 1.00 10.41 C ATOM 231 CG ARG A 16 10.938 -13.245 10.798 1.00 23.41 C ATOM 232 CD ARG A 16 11.403 -13.306 9.344 1.00 3.24 C ATOM 233 NE ARG A 16 12.688 -12.632 9.161 1.00 23.55 N ATOM 234 CZ ARG A 16 12.985 -11.849 8.159 1.00 4.53 C ATOM 235 NH1 ARG A 16 12.106 -11.560 7.254 1.00 2.32 N ATOM 236 NH2 ARG A 16 14.166 -11.333 8.081 1.00 31.12 N ATOM 0 H ARG A 16 9.065 -9.736 11.956 1.00 41.03 H new ATOM 0 HA ARG A 16 8.966 -11.649 9.694 1.00 13.32 H new ATOM 0 HB2 ARG A 16 11.209 -11.118 10.779 1.00 10.41 H new ATOM 0 HB3 ARG A 16 10.576 -11.746 12.288 1.00 10.41 H new ATOM 0 HG2 ARG A 16 11.744 -13.580 11.451 1.00 23.41 H new ATOM 0 HG3 ARG A 16 10.105 -13.934 10.941 1.00 23.41 H new ATOM 0 HD2 ARG A 16 11.490 -14.347 9.033 1.00 3.24 H new ATOM 0 HD3 ARG A 16 10.654 -12.843 8.702 1.00 3.24 H new ATOM 0 HE ARG A 16 13.406 -12.785 9.869 1.00 23.55 H new ATOM 0 HH11 ARG A 16 11.164 -11.946 7.317 1.00 2.32 H new ATOM 0 HH12 ARG A 16 12.355 -10.947 6.478 1.00 2.32 H new ATOM 0 HH21 ARG A 16 14.860 -11.538 8.799 1.00 31.12 H new ATOM 0 HH22 ARG A 16 14.404 -10.721 7.301 1.00 31.12 H new ATOM 250 N LYS A 17 7.431 -13.281 10.830 1.00 1.34 N ATOM 251 CA LYS A 17 6.517 -14.234 11.482 1.00 40.25 C ATOM 252 C LYS A 17 7.220 -14.983 12.631 1.00 14.03 C ATOM 253 O LYS A 17 6.645 -15.184 13.702 1.00 64.01 O ATOM 254 CB LYS A 17 5.969 -15.238 10.451 1.00 32.01 C ATOM 255 CG LYS A 17 5.184 -16.406 11.057 1.00 12.13 C ATOM 256 CD LYS A 17 3.937 -15.945 11.818 1.00 24.22 C ATOM 257 CE LYS A 17 3.223 -17.121 12.486 1.00 52.42 C ATOM 258 NZ LYS A 17 2.004 -16.701 13.231 1.00 42.51 N ATOM 0 H LYS A 17 7.530 -13.413 9.823 1.00 1.34 H new ATOM 0 HA LYS A 17 5.686 -13.669 11.905 1.00 40.25 H new ATOM 0 HB2 LYS A 17 5.323 -14.706 9.752 1.00 32.01 H new ATOM 0 HB3 LYS A 17 6.802 -15.638 9.873 1.00 32.01 H new ATOM 0 HG2 LYS A 17 4.888 -17.091 10.263 1.00 12.13 H new ATOM 0 HG3 LYS A 17 5.833 -16.963 11.733 1.00 12.13 H new ATOM 0 HD2 LYS A 17 4.221 -15.213 12.574 1.00 24.22 H new ATOM 0 HD3 LYS A 17 3.254 -15.446 11.131 1.00 24.22 H new ATOM 0 HE2 LYS A 17 2.946 -17.852 11.727 1.00 52.42 H new ATOM 0 HE3 LYS A 17 3.910 -17.617 13.171 1.00 52.42 H new ATOM 0 HZ1 LYS A 17 1.654 -17.497 13.801 1.00 42.51 H new ATOM 0 HZ2 LYS A 17 2.237 -15.904 13.857 1.00 42.51 H new ATOM 0 HZ3 LYS A 17 1.268 -16.408 12.556 1.00 42.51 H new ATOM 272 N ALA A 18 8.471 -15.382 12.395 1.00 23.33 N ATOM 273 CA ALA A 18 9.282 -16.067 13.411 1.00 44.05 C ATOM 274 C ALA A 18 9.562 -15.160 14.624 1.00 73.40 C ATOM 275 O ALA A 18 9.726 -15.641 15.744 1.00 62.22 O ATOM 276 CB ALA A 18 10.589 -16.550 12.792 1.00 54.00 C ATOM 0 H ALA A 18 8.949 -15.243 11.505 1.00 23.33 H new ATOM 0 HA ALA A 18 8.715 -16.926 13.771 1.00 44.05 H new ATOM 0 HB1 ALA A 18 11.185 -17.057 13.551 1.00 54.00 H new ATOM 0 HB2 ALA A 18 10.372 -17.242 11.978 1.00 54.00 H new ATOM 0 HB3 ALA A 18 11.145 -15.697 12.404 1.00 54.00 H new ATOM 282 N ASP A 19 9.610 -13.850 14.388 1.00 43.04 N ATOM 283 CA ASP A 19 9.795 -12.864 15.461 1.00 74.41 C ATOM 284 C ASP A 19 8.569 -12.859 16.394 1.00 2.10 C ATOM 285 O ASP A 19 8.697 -12.814 17.620 1.00 44.53 O ATOM 286 CB ASP A 19 10.028 -11.478 14.836 1.00 42.25 C ATOM 287 CG ASP A 19 10.318 -10.384 15.850 1.00 22.02 C ATOM 288 OD1 ASP A 19 10.924 -10.672 16.899 1.00 72.52 O ATOM 289 OD2 ASP A 19 9.952 -9.217 15.585 1.00 3.54 O ATOM 0 H ASP A 19 9.523 -13.441 13.458 1.00 43.04 H new ATOM 0 HA ASP A 19 10.666 -13.127 16.061 1.00 74.41 H new ATOM 0 HB2 ASP A 19 10.862 -11.542 14.137 1.00 42.25 H new ATOM 0 HB3 ASP A 19 9.147 -11.199 14.257 1.00 42.25 H new ATOM 294 N ALA A 20 7.378 -12.929 15.794 1.00 32.11 N ATOM 295 CA ALA A 20 6.131 -13.070 16.556 1.00 42.42 C ATOM 296 C ALA A 20 6.140 -14.355 17.397 1.00 0.11 C ATOM 297 O ALA A 20 5.840 -14.334 18.593 1.00 73.12 O ATOM 298 CB ALA A 20 4.932 -13.064 15.612 1.00 1.44 C ATOM 0 H ALA A 20 7.249 -12.890 14.783 1.00 32.11 H new ATOM 0 HA ALA A 20 6.051 -12.221 17.236 1.00 42.42 H new ATOM 0 HB1 ALA A 20 4.014 -13.169 16.190 1.00 1.44 H new ATOM 0 HB2 ALA A 20 4.908 -12.124 15.060 1.00 1.44 H new ATOM 0 HB3 ALA A 20 5.017 -13.894 14.911 1.00 1.44 H new ATOM 304 N LEU A 21 6.497 -15.469 16.757 1.00 42.31 N ATOM 305 CA LEU A 21 6.584 -16.769 17.436 1.00 53.45 C ATOM 306 C LEU A 21 7.610 -16.732 18.578 1.00 15.25 C ATOM 307 O LEU A 21 7.408 -17.340 19.633 1.00 15.23 O ATOM 308 CB LEU A 21 6.960 -17.867 16.431 1.00 74.01 C ATOM 309 CG LEU A 21 6.004 -18.017 15.235 1.00 70.45 C ATOM 310 CD1 LEU A 21 6.464 -19.140 14.307 1.00 51.14 C ATOM 311 CD2 LEU A 21 4.576 -18.258 15.719 1.00 62.44 C ATOM 0 H LEU A 21 6.732 -15.500 15.765 1.00 42.31 H new ATOM 0 HA LEU A 21 5.606 -16.991 17.863 1.00 53.45 H new ATOM 0 HB2 LEU A 21 7.961 -17.662 16.052 1.00 74.01 H new ATOM 0 HB3 LEU A 21 7.008 -18.819 16.959 1.00 74.01 H new ATOM 0 HG LEU A 21 6.019 -17.087 14.666 1.00 70.45 H new ATOM 0 HD11 LEU A 21 5.772 -19.226 13.469 1.00 51.14 H new ATOM 0 HD12 LEU A 21 7.462 -18.916 13.931 1.00 51.14 H new ATOM 0 HD13 LEU A 21 6.486 -20.081 14.857 1.00 51.14 H new ATOM 0 HD21 LEU A 21 3.913 -18.362 14.860 1.00 62.44 H new ATOM 0 HD22 LEU A 21 4.543 -19.170 16.315 1.00 62.44 H new ATOM 0 HD23 LEU A 21 4.251 -17.415 16.328 1.00 62.44 H new ATOM 323 N ALA A 22 8.708 -16.007 18.356 1.00 11.11 N ATOM 324 CA ALA A 22 9.738 -15.822 19.377 1.00 60.10 C ATOM 325 C ALA A 22 9.154 -15.165 20.634 1.00 32.13 C ATOM 326 O ALA A 22 9.151 -15.767 21.708 1.00 42.22 O ATOM 327 CB ALA A 22 10.893 -14.993 18.821 1.00 22.13 C ATOM 0 H ALA A 22 8.906 -15.537 17.473 1.00 11.11 H new ATOM 0 HA ALA A 22 10.120 -16.803 19.659 1.00 60.10 H new ATOM 0 HB1 ALA A 22 11.652 -14.863 19.592 1.00 22.13 H new ATOM 0 HB2 ALA A 22 11.330 -15.506 17.964 1.00 22.13 H new ATOM 0 HB3 ALA A 22 10.523 -14.017 18.509 1.00 22.13 H new ATOM 333 N PHE A 23 8.635 -13.942 20.487 1.00 13.12 N ATOM 334 CA PHE A 23 8.039 -13.207 21.615 1.00 11.23 C ATOM 335 C PHE A 23 6.998 -14.060 22.361 1.00 23.51 C ATOM 336 O PHE A 23 7.002 -14.132 23.594 1.00 3.33 O ATOM 337 CB PHE A 23 7.389 -11.906 21.118 1.00 63.11 C ATOM 338 CG PHE A 23 6.725 -11.101 22.213 1.00 74.41 C ATOM 339 CD1 PHE A 23 7.483 -10.327 23.081 1.00 74.23 C ATOM 340 CD2 PHE A 23 5.344 -11.118 22.376 1.00 54.24 C ATOM 341 CE1 PHE A 23 6.881 -9.591 24.084 1.00 33.11 C ATOM 342 CE2 PHE A 23 4.741 -10.383 23.379 1.00 63.44 C ATOM 343 CZ PHE A 23 5.509 -9.619 24.233 1.00 51.33 C ATOM 0 H PHE A 23 8.614 -13.438 19.601 1.00 13.12 H new ATOM 0 HA PHE A 23 8.841 -12.968 22.313 1.00 11.23 H new ATOM 0 HB2 PHE A 23 8.150 -11.291 20.637 1.00 63.11 H new ATOM 0 HB3 PHE A 23 6.647 -12.148 20.357 1.00 63.11 H new ATOM 0 HD1 PHE A 23 8.557 -10.300 22.971 1.00 74.23 H new ATOM 0 HD2 PHE A 23 4.736 -11.713 21.711 1.00 54.24 H new ATOM 0 HE1 PHE A 23 7.484 -8.994 24.752 1.00 33.11 H new ATOM 0 HE2 PHE A 23 3.667 -10.407 23.494 1.00 63.44 H new ATOM 0 HZ PHE A 23 5.038 -9.044 25.016 1.00 51.33 H new ATOM 353 N MET A 24 6.116 -14.709 21.600 1.00 23.12 N ATOM 354 CA MET A 24 5.094 -15.590 22.175 1.00 12.35 C ATOM 355 C MET A 24 5.724 -16.708 23.020 1.00 11.12 C ATOM 356 O MET A 24 5.244 -17.022 24.111 1.00 71.22 O ATOM 357 CB MET A 24 4.228 -16.205 21.064 1.00 45.31 C ATOM 358 CG MET A 24 3.424 -15.184 20.265 1.00 15.12 C ATOM 359 SD MET A 24 2.474 -15.935 18.925 1.00 11.34 S ATOM 360 CE MET A 24 1.676 -14.493 18.220 1.00 24.24 C ATOM 0 H MET A 24 6.087 -14.642 20.583 1.00 23.12 H new ATOM 0 HA MET A 24 4.467 -14.982 22.827 1.00 12.35 H new ATOM 0 HB2 MET A 24 4.872 -16.760 20.381 1.00 45.31 H new ATOM 0 HB3 MET A 24 3.541 -16.924 21.510 1.00 45.31 H new ATOM 0 HG2 MET A 24 2.744 -14.658 20.936 1.00 15.12 H new ATOM 0 HG3 MET A 24 4.102 -14.439 19.850 1.00 15.12 H new ATOM 0 HE1 MET A 24 1.053 -14.797 17.379 1.00 24.24 H new ATOM 0 HE2 MET A 24 1.055 -14.014 18.977 1.00 24.24 H new ATOM 0 HE3 MET A 24 2.434 -13.790 17.874 1.00 24.24 H new ATOM 370 N LYS A 25 6.810 -17.301 22.524 1.00 12.32 N ATOM 371 CA LYS A 25 7.450 -18.416 23.223 1.00 72.23 C ATOM 372 C LYS A 25 8.400 -17.947 24.344 1.00 41.24 C ATOM 373 O LYS A 25 8.682 -18.703 25.271 1.00 13.35 O ATOM 374 CB LYS A 25 8.183 -19.334 22.237 1.00 34.32 C ATOM 375 CG LYS A 25 8.754 -20.584 22.899 1.00 5.23 C ATOM 376 CD LYS A 25 9.119 -21.666 21.890 1.00 51.23 C ATOM 377 CE LYS A 25 9.661 -22.909 22.588 1.00 41.00 C ATOM 378 NZ LYS A 25 8.747 -23.394 23.660 1.00 52.41 N ATOM 0 H LYS A 25 7.261 -17.032 21.650 1.00 12.32 H new ATOM 0 HA LYS A 25 6.652 -18.984 23.702 1.00 72.23 H new ATOM 0 HB2 LYS A 25 7.495 -19.631 21.445 1.00 34.32 H new ATOM 0 HB3 LYS A 25 8.992 -18.778 21.764 1.00 34.32 H new ATOM 0 HG2 LYS A 25 9.640 -20.314 23.473 1.00 5.23 H new ATOM 0 HG3 LYS A 25 8.025 -20.982 23.605 1.00 5.23 H new ATOM 0 HD2 LYS A 25 8.240 -21.930 21.302 1.00 51.23 H new ATOM 0 HD3 LYS A 25 9.865 -21.282 21.194 1.00 51.23 H new ATOM 0 HE2 LYS A 25 9.810 -23.701 21.854 1.00 41.00 H new ATOM 0 HE3 LYS A 25 10.637 -22.686 23.018 1.00 41.00 H new ATOM 0 HZ1 LYS A 25 8.802 -24.431 23.721 1.00 52.41 H new ATOM 0 HZ2 LYS A 25 9.029 -22.978 24.571 1.00 52.41 H new ATOM 0 HZ3 LYS A 25 7.771 -23.112 23.438 1.00 52.41 H new ATOM 392 N VAL A 26 8.883 -16.706 24.275 1.00 22.11 N ATOM 393 CA VAL A 26 9.718 -16.155 25.354 1.00 44.33 C ATOM 394 C VAL A 26 8.949 -16.144 26.684 1.00 71.40 C ATOM 395 O VAL A 26 9.467 -16.570 27.720 1.00 23.23 O ATOM 396 CB VAL A 26 10.213 -14.719 25.032 1.00 70.12 C ATOM 397 CG1 VAL A 26 10.946 -14.114 26.230 1.00 61.42 C ATOM 398 CG2 VAL A 26 11.117 -14.718 23.800 1.00 62.13 C ATOM 0 H VAL A 26 8.716 -16.068 23.497 1.00 22.11 H new ATOM 0 HA VAL A 26 10.590 -16.804 25.441 1.00 44.33 H new ATOM 0 HB VAL A 26 9.339 -14.105 24.817 1.00 70.12 H new ATOM 0 HG11 VAL A 26 11.283 -13.108 25.980 1.00 61.42 H new ATOM 0 HG12 VAL A 26 10.271 -14.069 27.085 1.00 61.42 H new ATOM 0 HG13 VAL A 26 11.807 -14.734 26.480 1.00 61.42 H new ATOM 0 HG21 VAL A 26 11.451 -13.701 23.595 1.00 62.13 H new ATOM 0 HG22 VAL A 26 11.983 -15.354 23.984 1.00 62.13 H new ATOM 0 HG23 VAL A 26 10.563 -15.098 22.942 1.00 62.13 H new ATOM 408 N MET A 27 7.707 -15.656 26.647 1.00 51.23 N ATOM 409 CA MET A 27 6.840 -15.680 27.831 1.00 5.34 C ATOM 410 C MET A 27 6.332 -17.102 28.116 1.00 24.24 C ATOM 411 O MET A 27 6.207 -17.504 29.271 1.00 62.24 O ATOM 412 CB MET A 27 5.664 -14.702 27.671 1.00 11.52 C ATOM 413 CG MET A 27 4.779 -14.961 26.461 1.00 20.32 C ATOM 414 SD MET A 27 3.414 -13.788 26.354 1.00 70.24 S ATOM 415 CE MET A 27 2.604 -14.328 24.853 1.00 31.43 C ATOM 0 H MET A 27 7.280 -15.242 25.818 1.00 51.23 H new ATOM 0 HA MET A 27 7.435 -15.358 28.686 1.00 5.34 H new ATOM 0 HB2 MET A 27 5.049 -14.746 28.570 1.00 11.52 H new ATOM 0 HB3 MET A 27 6.059 -13.688 27.604 1.00 11.52 H new ATOM 0 HG2 MET A 27 5.380 -14.901 25.554 1.00 20.32 H new ATOM 0 HG3 MET A 27 4.382 -15.975 26.513 1.00 20.32 H new ATOM 0 HE1 MET A 27 1.523 -14.261 24.978 1.00 31.43 H new ATOM 0 HE2 MET A 27 2.913 -13.692 24.024 1.00 31.43 H new ATOM 0 HE3 MET A 27 2.881 -15.361 24.641 1.00 31.43 H new ATOM 425 N LEU A 28 6.060 -17.862 27.057 1.00 63.24 N ATOM 426 CA LEU A 28 5.622 -19.261 27.182 1.00 31.34 C ATOM 427 C LEU A 28 6.639 -20.104 27.978 1.00 20.21 C ATOM 428 O LEU A 28 6.269 -20.884 28.856 1.00 43.54 O ATOM 429 CB LEU A 28 5.423 -19.859 25.781 1.00 30.34 C ATOM 430 CG LEU A 28 4.908 -21.306 25.729 1.00 75.32 C ATOM 431 CD1 LEU A 28 3.533 -21.422 26.384 1.00 75.20 C ATOM 432 CD2 LEU A 28 4.860 -21.802 24.284 1.00 3.30 C ATOM 0 H LEU A 28 6.134 -17.534 26.094 1.00 63.24 H new ATOM 0 HA LEU A 28 4.680 -19.278 27.729 1.00 31.34 H new ATOM 0 HB2 LEU A 28 4.724 -19.226 25.234 1.00 30.34 H new ATOM 0 HB3 LEU A 28 6.374 -19.814 25.251 1.00 30.34 H new ATOM 0 HG LEU A 28 5.600 -21.934 26.289 1.00 75.32 H new ATOM 0 HD11 LEU A 28 3.192 -22.456 26.333 1.00 75.20 H new ATOM 0 HD12 LEU A 28 3.600 -21.112 27.427 1.00 75.20 H new ATOM 0 HD13 LEU A 28 2.825 -20.780 25.860 1.00 75.20 H new ATOM 0 HD21 LEU A 28 4.493 -22.828 24.264 1.00 3.30 H new ATOM 0 HD22 LEU A 28 4.192 -21.166 23.703 1.00 3.30 H new ATOM 0 HD23 LEU A 28 5.861 -21.766 23.853 1.00 3.30 H new ATOM 444 N ASN A 29 7.921 -19.931 27.658 1.00 41.03 N ATOM 445 CA ASN A 29 9.011 -20.624 28.359 1.00 33.35 C ATOM 446 C ASN A 29 9.260 -20.029 29.758 1.00 64.53 C ATOM 447 O ASN A 29 9.955 -20.625 30.585 1.00 42.21 O ATOM 448 CB ASN A 29 10.296 -20.569 27.517 1.00 73.24 C ATOM 449 CG ASN A 29 10.217 -21.445 26.275 1.00 23.34 C ATOM 450 OD1 ASN A 29 9.145 -21.689 25.731 1.00 4.01 O ATOM 451 ND2 ASN A 29 11.354 -21.921 25.809 1.00 53.51 N ATOM 0 H ASN A 29 8.236 -19.312 26.911 1.00 41.03 H new ATOM 0 HA ASN A 29 8.713 -21.664 28.495 1.00 33.35 H new ATOM 0 HB2 ASN A 29 10.487 -19.538 27.219 1.00 73.24 H new ATOM 0 HB3 ASN A 29 11.141 -20.886 28.128 1.00 73.24 H new ATOM 0 HD21 ASN A 29 11.357 -22.509 24.975 1.00 53.51 H new ATOM 0 HD22 ASN A 29 12.231 -21.702 26.282 1.00 53.51 H new ATOM 458 N ARG A 30 8.699 -18.847 30.012 1.00 23.43 N ATOM 459 CA ARG A 30 8.781 -18.217 31.334 1.00 50.42 C ATOM 460 C ARG A 30 7.753 -18.838 32.295 1.00 25.34 C ATOM 461 O ARG A 30 7.998 -18.952 33.498 1.00 40.30 O ATOM 462 CB ARG A 30 8.551 -16.700 31.217 1.00 23.25 C ATOM 463 CG ARG A 30 8.636 -15.952 32.548 1.00 53.23 C ATOM 464 CD ARG A 30 10.045 -15.985 33.137 1.00 41.33 C ATOM 465 NE ARG A 30 10.078 -15.458 34.505 1.00 24.13 N ATOM 466 CZ ARG A 30 10.962 -14.609 34.960 1.00 43.45 C ATOM 467 NH1 ARG A 30 11.854 -14.099 34.176 1.00 64.13 N ATOM 468 NH2 ARG A 30 10.925 -14.243 36.199 1.00 54.32 N ATOM 0 H ARG A 30 8.182 -18.304 29.320 1.00 23.43 H new ATOM 0 HA ARG A 30 9.779 -18.391 31.737 1.00 50.42 H new ATOM 0 HB2 ARG A 30 9.288 -16.283 30.530 1.00 23.25 H new ATOM 0 HB3 ARG A 30 7.570 -16.525 30.776 1.00 23.25 H new ATOM 0 HG2 ARG A 30 8.329 -14.916 32.402 1.00 53.23 H new ATOM 0 HG3 ARG A 30 7.937 -16.395 33.257 1.00 53.23 H new ATOM 0 HD2 ARG A 30 10.416 -17.010 33.134 1.00 41.33 H new ATOM 0 HD3 ARG A 30 10.716 -15.401 32.507 1.00 41.33 H new ATOM 0 HE ARG A 30 9.356 -15.778 35.151 1.00 24.13 H new ATOM 0 HH11 ARG A 30 11.874 -14.358 33.190 1.00 64.13 H new ATOM 0 HH12 ARG A 30 12.538 -13.438 34.544 1.00 64.13 H new ATOM 0 HH21 ARG A 30 10.207 -14.616 36.820 1.00 54.32 H new ATOM 0 HH22 ARG A 30 11.614 -13.581 36.556 1.00 54.32 H new ATOM 482 N TYR A 31 6.599 -19.230 31.755 1.00 52.20 N ATOM 483 CA TYR A 31 5.563 -19.906 32.546 1.00 44.44 C ATOM 484 C TYR A 31 5.828 -21.419 32.636 1.00 34.12 C ATOM 485 O TYR A 31 6.763 -21.941 32.023 1.00 13.33 O ATOM 486 CB TYR A 31 4.172 -19.664 31.941 1.00 35.13 C ATOM 487 CG TYR A 31 3.742 -18.207 31.930 1.00 64.02 C ATOM 488 CD1 TYR A 31 3.343 -17.568 33.100 1.00 54.03 C ATOM 489 CD2 TYR A 31 3.731 -17.473 30.749 1.00 1.22 C ATOM 490 CE1 TYR A 31 2.950 -16.244 33.091 1.00 40.33 C ATOM 491 CE2 TYR A 31 3.340 -16.149 30.733 1.00 51.34 C ATOM 492 CZ TYR A 31 2.951 -15.541 31.906 1.00 41.12 C ATOM 493 OH TYR A 31 2.566 -14.218 31.894 1.00 1.51 O ATOM 0 H TYR A 31 6.355 -19.093 30.774 1.00 52.20 H new ATOM 0 HA TYR A 31 5.595 -19.486 33.551 1.00 44.44 H new ATOM 0 HB2 TYR A 31 4.162 -20.042 30.919 1.00 35.13 H new ATOM 0 HB3 TYR A 31 3.439 -20.243 32.502 1.00 35.13 H new ATOM 0 HD1 TYR A 31 3.341 -18.116 34.030 1.00 54.03 H new ATOM 0 HD2 TYR A 31 4.034 -17.947 29.827 1.00 1.22 H new ATOM 0 HE1 TYR A 31 2.644 -15.762 34.008 1.00 40.33 H new ATOM 0 HE2 TYR A 31 3.339 -15.594 29.807 1.00 51.34 H new ATOM 0 HH TYR A 31 2.624 -13.869 30.980 1.00 1.51 H new ATOM 503 N ARG A 32 4.995 -22.119 33.403 1.00 61.42 N ATOM 504 CA ARG A 32 5.126 -23.572 33.572 1.00 14.31 C ATOM 505 C ARG A 32 3.861 -24.300 33.096 1.00 75.31 C ATOM 506 O ARG A 32 2.779 -23.711 33.067 1.00 32.41 O ATOM 507 CB ARG A 32 5.402 -23.904 35.046 1.00 60.21 C ATOM 508 CG ARG A 32 6.667 -23.257 35.604 1.00 42.45 C ATOM 509 CD ARG A 32 6.822 -23.546 37.092 1.00 22.43 C ATOM 510 NE ARG A 32 5.657 -23.093 37.851 1.00 32.40 N ATOM 511 CZ ARG A 32 5.248 -23.629 38.968 1.00 62.23 C ATOM 512 NH1 ARG A 32 5.863 -24.645 39.479 1.00 30.21 N ATOM 513 NH2 ARG A 32 4.207 -23.148 39.560 1.00 12.34 N ATOM 0 H ARG A 32 4.219 -21.706 33.920 1.00 61.42 H new ATOM 0 HA ARG A 32 5.963 -23.913 32.962 1.00 14.31 H new ATOM 0 HB2 ARG A 32 4.549 -23.585 35.645 1.00 60.21 H new ATOM 0 HB3 ARG A 32 5.481 -24.986 35.155 1.00 60.21 H new ATOM 0 HG2 ARG A 32 7.538 -23.631 35.065 1.00 42.45 H new ATOM 0 HG3 ARG A 32 6.630 -22.180 35.442 1.00 42.45 H new ATOM 0 HD2 ARG A 32 6.962 -24.616 37.243 1.00 22.43 H new ATOM 0 HD3 ARG A 32 7.717 -23.051 37.468 1.00 22.43 H new ATOM 0 HE ARG A 32 5.128 -22.303 37.482 1.00 32.40 H new ATOM 0 HH11 ARG A 32 6.679 -25.037 39.008 1.00 30.21 H new ATOM 0 HH12 ARG A 32 5.533 -25.054 40.353 1.00 30.21 H new ATOM 0 HH21 ARG A 32 3.711 -22.355 39.154 1.00 12.34 H new ATOM 0 HH22 ARG A 32 3.881 -23.561 40.434 1.00 12.34 H new ATOM 527 N PRO A 33 3.980 -25.592 32.704 1.00 45.51 N ATOM 528 CA PRO A 33 2.826 -26.408 32.285 1.00 23.14 C ATOM 529 C PRO A 33 1.796 -26.596 33.411 1.00 55.04 C ATOM 530 O PRO A 33 1.717 -27.648 34.054 1.00 34.23 O ATOM 531 CB PRO A 33 3.445 -27.754 31.877 1.00 42.20 C ATOM 532 CG PRO A 33 4.899 -27.477 31.694 1.00 71.14 C ATOM 533 CD PRO A 33 5.239 -26.348 32.624 1.00 1.11 C ATOM 0 HA PRO A 33 2.271 -25.930 31.478 1.00 23.14 H new ATOM 0 HB2 PRO A 33 3.282 -28.511 32.644 1.00 42.20 H new ATOM 0 HB3 PRO A 33 2.997 -28.131 30.957 1.00 42.20 H new ATOM 0 HG2 PRO A 33 5.494 -28.361 31.923 1.00 71.14 H new ATOM 0 HG3 PRO A 33 5.115 -27.207 30.660 1.00 71.14 H new ATOM 0 HD2 PRO A 33 5.554 -26.712 33.602 1.00 1.11 H new ATOM 0 HD3 PRO A 33 6.053 -25.736 32.235 1.00 1.11 H new ATOM 541 N GLY A 34 1.038 -25.544 33.649 1.00 70.15 N ATOM 542 CA GLY A 34 0.001 -25.549 34.680 1.00 34.33 C ATOM 543 C GLY A 34 -0.256 -24.164 35.272 1.00 60.33 C ATOM 544 O GLY A 34 -1.225 -23.961 36.012 1.00 65.35 O ATOM 0 H GLY A 34 1.117 -24.663 33.141 1.00 70.15 H new ATOM 0 HA2 GLY A 34 -0.926 -25.934 34.254 1.00 34.33 H new ATOM 0 HA3 GLY A 34 0.293 -26.231 35.478 1.00 34.33 H new ATOM 548 N ASP A 35 0.614 -23.209 34.953 1.00 23.41 N ATOM 549 CA ASP A 35 0.501 -21.841 35.473 1.00 51.43 C ATOM 550 C ASP A 35 -0.332 -20.934 34.548 1.00 31.52 C ATOM 551 O ASP A 35 -0.399 -21.144 33.334 1.00 71.01 O ATOM 552 CB ASP A 35 1.899 -21.244 35.687 1.00 43.42 C ATOM 553 CG ASP A 35 2.640 -21.876 36.861 1.00 32.33 C ATOM 554 OD1 ASP A 35 2.360 -23.044 37.198 1.00 4.34 O ATOM 555 OD2 ASP A 35 3.498 -21.199 37.463 1.00 74.32 O ATOM 0 H ASP A 35 1.411 -23.355 34.333 1.00 23.41 H new ATOM 0 HA ASP A 35 -0.022 -21.895 36.428 1.00 51.43 H new ATOM 0 HB2 ASP A 35 2.488 -21.375 34.779 1.00 43.42 H new ATOM 0 HB3 ASP A 35 1.809 -20.171 35.856 1.00 43.42 H new ATOM 560 N ILE A 36 -0.963 -19.922 35.142 1.00 73.21 N ATOM 561 CA ILE A 36 -1.806 -18.973 34.406 1.00 51.31 C ATOM 562 C ILE A 36 -0.985 -17.788 33.864 1.00 70.31 C ATOM 563 O ILE A 36 -0.040 -17.330 34.508 1.00 64.45 O ATOM 564 CB ILE A 36 -2.945 -18.434 35.317 1.00 41.01 C ATOM 565 CG1 ILE A 36 -3.804 -19.596 35.849 1.00 5.42 C ATOM 566 CG2 ILE A 36 -3.817 -17.419 34.573 1.00 62.14 C ATOM 567 CD1 ILE A 36 -4.508 -20.389 34.765 1.00 1.42 C ATOM 0 H ILE A 36 -0.907 -19.735 36.143 1.00 73.21 H new ATOM 0 HA ILE A 36 -2.236 -19.512 33.562 1.00 51.31 H new ATOM 0 HB ILE A 36 -2.485 -17.923 36.163 1.00 41.01 H new ATOM 0 HG12 ILE A 36 -3.169 -20.270 36.424 1.00 5.42 H new ATOM 0 HG13 ILE A 36 -4.550 -19.198 36.536 1.00 5.42 H new ATOM 0 HG21 ILE A 36 -4.604 -17.060 35.236 1.00 62.14 H new ATOM 0 HG22 ILE A 36 -3.203 -16.578 34.251 1.00 62.14 H new ATOM 0 HG23 ILE A 36 -4.266 -17.895 33.701 1.00 62.14 H new ATOM 0 HD11 ILE A 36 -5.092 -21.189 35.220 1.00 1.42 H new ATOM 0 HD12 ILE A 36 -5.171 -19.730 34.204 1.00 1.42 H new ATOM 0 HD13 ILE A 36 -3.768 -20.819 34.090 1.00 1.42 H new ATOM 579 N VAL A 37 -1.355 -17.301 32.681 1.00 20.23 N ATOM 580 CA VAL A 37 -0.698 -16.140 32.068 1.00 11.51 C ATOM 581 C VAL A 37 -1.213 -14.824 32.681 1.00 54.24 C ATOM 582 O VAL A 37 -2.386 -14.717 33.040 1.00 74.40 O ATOM 583 CB VAL A 37 -0.928 -16.115 30.532 1.00 24.32 C ATOM 584 CG1 VAL A 37 -0.218 -14.927 29.880 1.00 25.23 C ATOM 585 CG2 VAL A 37 -0.474 -17.431 29.901 1.00 11.42 C ATOM 0 H VAL A 37 -2.112 -17.694 32.121 1.00 20.23 H new ATOM 0 HA VAL A 37 0.370 -16.231 32.267 1.00 11.51 H new ATOM 0 HB VAL A 37 -1.997 -15.997 30.356 1.00 24.32 H new ATOM 0 HG11 VAL A 37 -0.400 -14.940 28.805 1.00 25.23 H new ATOM 0 HG12 VAL A 37 -0.601 -13.998 30.302 1.00 25.23 H new ATOM 0 HG13 VAL A 37 0.854 -14.996 30.068 1.00 25.23 H new ATOM 0 HG21 VAL A 37 -0.643 -17.396 28.825 1.00 11.42 H new ATOM 0 HG22 VAL A 37 0.588 -17.581 30.097 1.00 11.42 H new ATOM 0 HG23 VAL A 37 -1.043 -18.256 30.330 1.00 11.42 H new ATOM 595 N SER A 38 -0.330 -13.830 32.801 1.00 14.43 N ATOM 596 CA SER A 38 -0.705 -12.516 33.350 1.00 51.12 C ATOM 597 C SER A 38 -1.719 -11.794 32.448 1.00 33.41 C ATOM 598 O SER A 38 -1.872 -12.126 31.272 1.00 14.31 O ATOM 599 CB SER A 38 0.537 -11.626 33.508 1.00 1.13 C ATOM 600 OG SER A 38 1.015 -11.184 32.244 1.00 11.42 O ATOM 0 H SER A 38 0.650 -13.905 32.527 1.00 14.43 H new ATOM 0 HA SER A 38 -1.163 -12.694 34.323 1.00 51.12 H new ATOM 0 HB2 SER A 38 0.294 -10.764 34.130 1.00 1.13 H new ATOM 0 HB3 SER A 38 1.322 -12.180 34.023 1.00 1.13 H new ATOM 0 HG SER A 38 1.913 -11.545 32.089 1.00 11.42 H new ATOM 606 N THR A 39 -2.399 -10.794 33.002 1.00 2.14 N ATOM 607 CA THR A 39 -3.358 -9.986 32.236 1.00 15.14 C ATOM 608 C THR A 39 -2.662 -9.224 31.097 1.00 13.44 C ATOM 609 O THR A 39 -3.171 -9.157 29.978 1.00 64.32 O ATOM 610 CB THR A 39 -4.096 -8.970 33.147 1.00 63.20 C ATOM 611 OG1 THR A 39 -4.822 -9.660 34.176 1.00 54.32 O ATOM 612 CG2 THR A 39 -5.061 -8.100 32.345 1.00 32.31 C ATOM 0 H THR A 39 -2.307 -10.519 33.980 1.00 2.14 H new ATOM 0 HA THR A 39 -4.085 -10.679 31.812 1.00 15.14 H new ATOM 0 HB THR A 39 -3.342 -8.325 33.598 1.00 63.20 H new ATOM 0 HG1 THR A 39 -5.282 -9.008 34.745 1.00 54.32 H new ATOM 0 HG21 THR A 39 -5.561 -7.400 33.014 1.00 32.31 H new ATOM 0 HG22 THR A 39 -4.507 -7.546 31.587 1.00 32.31 H new ATOM 0 HG23 THR A 39 -5.805 -8.733 31.860 1.00 32.31 H new ATOM 620 N VAL A 40 -1.489 -8.665 31.391 1.00 43.14 N ATOM 621 CA VAL A 40 -0.724 -7.886 30.407 1.00 72.12 C ATOM 622 C VAL A 40 -0.370 -8.723 29.165 1.00 74.14 C ATOM 623 O VAL A 40 -0.671 -8.338 28.031 1.00 12.43 O ATOM 624 CB VAL A 40 0.581 -7.325 31.027 1.00 74.43 C ATOM 625 CG1 VAL A 40 1.348 -6.475 30.013 1.00 64.40 C ATOM 626 CG2 VAL A 40 0.275 -6.523 32.295 1.00 3.21 C ATOM 0 H VAL A 40 -1.043 -8.735 32.305 1.00 43.14 H new ATOM 0 HA VAL A 40 -1.365 -7.059 30.102 1.00 72.12 H new ATOM 0 HB VAL A 40 1.215 -8.167 31.303 1.00 74.43 H new ATOM 0 HG11 VAL A 40 2.259 -6.094 30.473 1.00 64.40 H new ATOM 0 HG12 VAL A 40 1.607 -7.086 29.148 1.00 64.40 H new ATOM 0 HG13 VAL A 40 0.725 -5.639 29.694 1.00 64.40 H new ATOM 0 HG21 VAL A 40 1.204 -6.138 32.715 1.00 3.21 H new ATOM 0 HG22 VAL A 40 -0.384 -5.691 32.049 1.00 3.21 H new ATOM 0 HG23 VAL A 40 -0.213 -7.169 33.025 1.00 3.21 H new ATOM 636 N ASP A 41 0.266 -9.871 29.387 1.00 61.44 N ATOM 637 CA ASP A 41 0.642 -10.771 28.293 1.00 32.33 C ATOM 638 C ASP A 41 -0.597 -11.468 27.700 1.00 13.30 C ATOM 639 O ASP A 41 -0.631 -11.806 26.514 1.00 71.12 O ATOM 640 CB ASP A 41 1.662 -11.799 28.793 1.00 73.04 C ATOM 641 CG ASP A 41 2.899 -11.133 29.376 1.00 61.22 C ATOM 642 OD1 ASP A 41 3.595 -10.408 28.638 1.00 54.35 O ATOM 643 OD2 ASP A 41 3.183 -11.329 30.577 1.00 43.25 O ATOM 0 H ASP A 41 0.533 -10.202 30.314 1.00 61.44 H new ATOM 0 HA ASP A 41 1.099 -10.182 27.498 1.00 32.33 H new ATOM 0 HB2 ASP A 41 1.199 -12.431 29.551 1.00 73.04 H new ATOM 0 HB3 ASP A 41 1.954 -12.451 27.970 1.00 73.04 H new ATOM 648 N GLY A 42 -1.618 -11.667 28.534 1.00 43.12 N ATOM 649 CA GLY A 42 -2.880 -12.229 28.065 1.00 1.03 C ATOM 650 C GLY A 42 -3.563 -11.354 27.015 1.00 71.32 C ATOM 651 O GLY A 42 -4.062 -11.858 26.011 1.00 75.44 O ATOM 0 H GLY A 42 -1.595 -11.449 29.530 1.00 43.12 H new ATOM 0 HA2 GLY A 42 -2.698 -13.218 27.645 1.00 1.03 H new ATOM 0 HA3 GLY A 42 -3.551 -12.362 28.913 1.00 1.03 H new ATOM 655 N ALA A 43 -3.578 -10.039 27.244 1.00 0.40 N ATOM 656 CA ALA A 43 -4.159 -9.086 26.287 1.00 42.24 C ATOM 657 C ALA A 43 -3.521 -9.225 24.895 1.00 64.31 C ATOM 658 O ALA A 43 -4.201 -9.118 23.871 1.00 45.40 O ATOM 659 CB ALA A 43 -4.002 -7.662 26.804 1.00 45.53 C ATOM 0 H ALA A 43 -3.195 -9.606 28.084 1.00 0.40 H new ATOM 0 HA ALA A 43 -5.220 -9.314 26.188 1.00 42.24 H new ATOM 0 HB1 ALA A 43 -4.436 -6.965 26.087 1.00 45.53 H new ATOM 0 HB2 ALA A 43 -4.514 -7.564 27.761 1.00 45.53 H new ATOM 0 HB3 ALA A 43 -2.943 -7.437 26.934 1.00 45.53 H new ATOM 665 N PHE A 44 -2.212 -9.476 24.872 1.00 1.15 N ATOM 666 CA PHE A 44 -1.487 -9.736 23.622 1.00 13.32 C ATOM 667 C PHE A 44 -2.071 -10.962 22.900 1.00 64.42 C ATOM 668 O PHE A 44 -2.309 -10.936 21.690 1.00 30.50 O ATOM 669 CB PHE A 44 0.007 -9.956 23.918 1.00 5.15 C ATOM 670 CG PHE A 44 0.841 -10.283 22.701 1.00 44.53 C ATOM 671 CD1 PHE A 44 1.397 -9.272 21.930 1.00 41.02 C ATOM 672 CD2 PHE A 44 1.071 -11.603 22.330 1.00 70.53 C ATOM 673 CE1 PHE A 44 2.162 -9.570 20.817 1.00 65.21 C ATOM 674 CE2 PHE A 44 1.834 -11.904 21.219 1.00 2.30 C ATOM 675 CZ PHE A 44 2.380 -10.888 20.461 1.00 33.23 C ATOM 0 H PHE A 44 -1.627 -9.505 25.707 1.00 1.15 H new ATOM 0 HA PHE A 44 -1.598 -8.870 22.970 1.00 13.32 H new ATOM 0 HB2 PHE A 44 0.408 -9.058 24.388 1.00 5.15 H new ATOM 0 HB3 PHE A 44 0.107 -10.766 24.641 1.00 5.15 H new ATOM 0 HD1 PHE A 44 1.230 -8.240 22.202 1.00 41.02 H new ATOM 0 HD2 PHE A 44 0.647 -12.403 22.918 1.00 70.53 H new ATOM 0 HE1 PHE A 44 2.589 -8.773 20.226 1.00 65.21 H new ATOM 0 HE2 PHE A 44 2.003 -12.934 20.943 1.00 2.30 H new ATOM 0 HZ PHE A 44 2.976 -11.122 19.592 1.00 33.23 H new ATOM 685 N LEU A 45 -2.295 -12.034 23.659 1.00 32.52 N ATOM 686 CA LEU A 45 -2.893 -13.265 23.126 1.00 60.23 C ATOM 687 C LEU A 45 -4.321 -13.021 22.609 1.00 62.34 C ATOM 688 O LEU A 45 -4.714 -13.563 21.573 1.00 61.23 O ATOM 689 CB LEU A 45 -2.901 -14.356 24.206 1.00 51.23 C ATOM 690 CG LEU A 45 -1.513 -14.834 24.664 1.00 65.12 C ATOM 691 CD1 LEU A 45 -1.630 -15.764 25.866 1.00 60.40 C ATOM 692 CD2 LEU A 45 -0.779 -15.530 23.518 1.00 25.13 C ATOM 0 H LEU A 45 -2.070 -12.078 24.653 1.00 32.52 H new ATOM 0 HA LEU A 45 -2.286 -13.595 22.283 1.00 60.23 H new ATOM 0 HB2 LEU A 45 -3.443 -13.981 25.074 1.00 51.23 H new ATOM 0 HB3 LEU A 45 -3.457 -15.214 23.829 1.00 51.23 H new ATOM 0 HG LEU A 45 -0.935 -13.960 24.964 1.00 65.12 H new ATOM 0 HD11 LEU A 45 -0.636 -16.089 26.172 1.00 60.40 H new ATOM 0 HD12 LEU A 45 -2.109 -15.235 26.690 1.00 60.40 H new ATOM 0 HD13 LEU A 45 -2.229 -16.634 25.596 1.00 60.40 H new ATOM 0 HD21 LEU A 45 0.201 -15.861 23.861 1.00 25.13 H new ATOM 0 HD22 LEU A 45 -1.357 -16.392 23.186 1.00 25.13 H new ATOM 0 HD23 LEU A 45 -0.657 -14.834 22.688 1.00 25.13 H new ATOM 704 N VAL A 46 -5.089 -12.201 23.332 1.00 61.01 N ATOM 705 CA VAL A 46 -6.453 -11.850 22.916 1.00 70.11 C ATOM 706 C VAL A 46 -6.451 -11.192 21.525 1.00 42.30 C ATOM 707 O VAL A 46 -7.193 -11.603 20.634 1.00 51.40 O ATOM 708 CB VAL A 46 -7.144 -10.898 23.930 1.00 52.04 C ATOM 709 CG1 VAL A 46 -8.574 -10.581 23.491 1.00 40.11 C ATOM 710 CG2 VAL A 46 -7.139 -11.502 25.333 1.00 14.03 C ATOM 0 H VAL A 46 -4.792 -11.768 24.206 1.00 61.01 H new ATOM 0 HA VAL A 46 -7.017 -12.782 22.879 1.00 70.11 H new ATOM 0 HB VAL A 46 -6.578 -9.967 23.955 1.00 52.04 H new ATOM 0 HG11 VAL A 46 -9.038 -9.913 24.217 1.00 40.11 H new ATOM 0 HG12 VAL A 46 -8.556 -10.099 22.513 1.00 40.11 H new ATOM 0 HG13 VAL A 46 -9.149 -11.505 23.429 1.00 40.11 H new ATOM 0 HG21 VAL A 46 -7.628 -10.817 26.026 1.00 14.03 H new ATOM 0 HG22 VAL A 46 -7.674 -12.451 25.322 1.00 14.03 H new ATOM 0 HG23 VAL A 46 -6.111 -11.669 25.654 1.00 14.03 H new ATOM 720 N GLU A 47 -5.601 -10.176 21.347 1.00 33.35 N ATOM 721 CA GLU A 47 -5.430 -9.519 20.041 1.00 12.42 C ATOM 722 C GLU A 47 -5.026 -10.529 18.958 1.00 63.45 C ATOM 723 O GLU A 47 -5.608 -10.565 17.871 1.00 35.13 O ATOM 724 CB GLU A 47 -4.372 -8.406 20.135 1.00 62.55 C ATOM 725 CG GLU A 47 -4.830 -7.167 20.898 1.00 31.30 C ATOM 726 CD GLU A 47 -5.982 -6.446 20.214 1.00 45.00 C ATOM 727 OE1 GLU A 47 -5.913 -6.240 18.986 1.00 42.31 O ATOM 728 OE2 GLU A 47 -6.964 -6.091 20.900 1.00 73.42 O ATOM 0 H GLU A 47 -5.019 -9.788 22.089 1.00 33.35 H new ATOM 0 HA GLU A 47 -6.389 -9.082 19.762 1.00 12.42 H new ATOM 0 HB2 GLU A 47 -3.481 -8.807 20.618 1.00 62.55 H new ATOM 0 HB3 GLU A 47 -4.082 -8.111 19.127 1.00 62.55 H new ATOM 0 HG2 GLU A 47 -5.135 -7.457 21.904 1.00 31.30 H new ATOM 0 HG3 GLU A 47 -3.990 -6.481 21.005 1.00 31.30 H new ATOM 735 N ALA A 48 -4.032 -11.355 19.269 1.00 11.51 N ATOM 736 CA ALA A 48 -3.579 -12.399 18.348 1.00 63.02 C ATOM 737 C ALA A 48 -4.727 -13.348 17.967 1.00 13.51 C ATOM 738 O ALA A 48 -4.777 -13.863 16.851 1.00 63.33 O ATOM 739 CB ALA A 48 -2.429 -13.181 18.969 1.00 44.33 C ATOM 0 H ALA A 48 -3.522 -11.324 20.152 1.00 11.51 H new ATOM 0 HA ALA A 48 -3.231 -11.916 17.435 1.00 63.02 H new ATOM 0 HB1 ALA A 48 -2.099 -13.955 18.276 1.00 44.33 H new ATOM 0 HB2 ALA A 48 -1.600 -12.505 19.178 1.00 44.33 H new ATOM 0 HB3 ALA A 48 -2.763 -13.644 19.898 1.00 44.33 H new ATOM 745 N LEU A 49 -5.644 -13.569 18.904 1.00 35.11 N ATOM 746 CA LEU A 49 -6.816 -14.419 18.672 1.00 52.12 C ATOM 747 C LEU A 49 -7.859 -13.716 17.781 1.00 31.44 C ATOM 748 O LEU A 49 -8.397 -14.318 16.848 1.00 51.32 O ATOM 749 CB LEU A 49 -7.445 -14.809 20.018 1.00 62.42 C ATOM 750 CG LEU A 49 -8.659 -15.748 19.934 1.00 71.32 C ATOM 751 CD1 LEU A 49 -8.276 -17.075 19.279 1.00 22.32 C ATOM 752 CD2 LEU A 49 -9.252 -15.977 21.322 1.00 72.13 C ATOM 0 H LEU A 49 -5.600 -13.169 19.841 1.00 35.11 H new ATOM 0 HA LEU A 49 -6.487 -15.316 18.148 1.00 52.12 H new ATOM 0 HB2 LEU A 49 -6.681 -15.286 20.632 1.00 62.42 H new ATOM 0 HB3 LEU A 49 -7.747 -13.898 20.535 1.00 62.42 H new ATOM 0 HG LEU A 49 -9.418 -15.274 19.311 1.00 71.32 H new ATOM 0 HD11 LEU A 49 -9.151 -17.723 19.231 1.00 22.32 H new ATOM 0 HD12 LEU A 49 -7.906 -16.890 18.271 1.00 22.32 H new ATOM 0 HD13 LEU A 49 -7.498 -17.560 19.868 1.00 22.32 H new ATOM 0 HD21 LEU A 49 -10.111 -16.644 21.245 1.00 72.13 H new ATOM 0 HD22 LEU A 49 -8.500 -16.427 21.969 1.00 72.13 H new ATOM 0 HD23 LEU A 49 -9.570 -15.023 21.744 1.00 72.13 H new ATOM 764 N LYS A 50 -8.124 -12.435 18.070 1.00 54.03 N ATOM 765 CA LYS A 50 -9.118 -11.639 17.325 1.00 44.32 C ATOM 766 C LYS A 50 -8.906 -11.720 15.803 1.00 40.01 C ATOM 767 O LYS A 50 -9.840 -11.982 15.043 1.00 52.42 O ATOM 768 CB LYS A 50 -9.056 -10.160 17.748 1.00 14.25 C ATOM 769 CG LYS A 50 -9.428 -9.886 19.203 1.00 34.42 C ATOM 770 CD LYS A 50 -9.318 -8.395 19.524 1.00 13.11 C ATOM 771 CE LYS A 50 -9.645 -8.083 20.981 1.00 53.14 C ATOM 772 NZ LYS A 50 -11.054 -8.409 21.333 1.00 64.13 N ATOM 0 H LYS A 50 -7.661 -11.921 18.820 1.00 54.03 H new ATOM 0 HA LYS A 50 -10.094 -12.061 17.565 1.00 44.32 H new ATOM 0 HB2 LYS A 50 -8.046 -9.790 17.572 1.00 14.25 H new ATOM 0 HB3 LYS A 50 -9.723 -9.586 17.105 1.00 14.25 H new ATOM 0 HG2 LYS A 50 -10.445 -10.229 19.393 1.00 34.42 H new ATOM 0 HG3 LYS A 50 -8.772 -10.453 19.863 1.00 34.42 H new ATOM 0 HD2 LYS A 50 -8.307 -8.053 19.301 1.00 13.11 H new ATOM 0 HD3 LYS A 50 -9.994 -7.837 18.876 1.00 13.11 H new ATOM 0 HE2 LYS A 50 -8.973 -8.646 21.629 1.00 53.14 H new ATOM 0 HE3 LYS A 50 -9.462 -7.026 21.172 1.00 53.14 H new ATOM 0 HZ1 LYS A 50 -11.249 -8.101 22.307 1.00 64.13 H new ATOM 0 HZ2 LYS A 50 -11.697 -7.919 20.679 1.00 64.13 H new ATOM 0 HZ3 LYS A 50 -11.202 -9.436 21.259 1.00 64.13 H new ATOM 786 N ARG A 51 -7.667 -11.502 15.367 1.00 21.22 N ATOM 787 CA ARG A 51 -7.343 -11.414 13.934 1.00 14.00 C ATOM 788 C ARG A 51 -7.212 -12.805 13.262 1.00 70.35 C ATOM 789 O ARG A 51 -6.375 -13.012 12.379 1.00 73.14 O ATOM 790 CB ARG A 51 -6.057 -10.588 13.756 1.00 42.22 C ATOM 791 CG ARG A 51 -4.797 -11.240 14.324 1.00 32.12 C ATOM 792 CD ARG A 51 -3.637 -10.248 14.412 1.00 41.44 C ATOM 793 NE ARG A 51 -3.566 -9.362 13.247 1.00 4.42 N ATOM 794 CZ ARG A 51 -2.487 -9.131 12.551 1.00 14.14 C ATOM 795 NH1 ARG A 51 -1.392 -9.780 12.784 1.00 55.41 N ATOM 796 NH2 ARG A 51 -2.515 -8.259 11.599 1.00 13.14 N ATOM 0 H ARG A 51 -6.864 -11.382 15.984 1.00 21.22 H new ATOM 0 HA ARG A 51 -8.172 -10.916 13.431 1.00 14.00 H new ATOM 0 HB2 ARG A 51 -5.905 -10.401 12.693 1.00 42.22 H new ATOM 0 HB3 ARG A 51 -6.195 -9.618 14.234 1.00 42.22 H new ATOM 0 HG2 ARG A 51 -5.010 -11.640 15.315 1.00 32.12 H new ATOM 0 HG3 ARG A 51 -4.508 -12.083 13.696 1.00 32.12 H new ATOM 0 HD2 ARG A 51 -3.745 -9.647 15.315 1.00 41.44 H new ATOM 0 HD3 ARG A 51 -2.700 -10.797 14.504 1.00 41.44 H new ATOM 0 HE ARG A 51 -4.424 -8.891 12.959 1.00 4.42 H new ATOM 0 HH11 ARG A 51 -1.364 -10.484 13.521 1.00 55.41 H new ATOM 0 HH12 ARG A 51 -0.557 -9.587 12.230 1.00 55.41 H new ATOM 0 HH21 ARG A 51 -3.378 -7.755 11.394 1.00 13.14 H new ATOM 0 HH22 ARG A 51 -1.674 -8.074 11.052 1.00 13.14 H new ATOM 810 N HIS A 52 -8.067 -13.746 13.667 1.00 11.43 N ATOM 811 CA HIS A 52 -8.110 -15.089 13.069 1.00 42.43 C ATOM 812 C HIS A 52 -9.555 -15.525 12.778 1.00 53.13 C ATOM 813 O HIS A 52 -10.483 -15.118 13.475 1.00 41.20 O ATOM 814 CB HIS A 52 -7.437 -16.116 13.996 1.00 21.24 C ATOM 815 CG HIS A 52 -5.943 -16.083 13.942 1.00 72.22 C ATOM 816 ND1 HIS A 52 -5.162 -15.574 14.951 1.00 64.31 N ATOM 817 CD2 HIS A 52 -5.085 -16.508 12.987 1.00 44.32 C ATOM 818 CE1 HIS A 52 -3.892 -15.686 14.623 1.00 15.30 C ATOM 819 NE2 HIS A 52 -3.815 -16.248 13.435 1.00 3.44 N ATOM 0 H HIS A 52 -8.747 -13.604 14.414 1.00 11.43 H new ATOM 0 HA HIS A 52 -7.565 -15.045 12.126 1.00 42.43 H new ATOM 0 HB2 HIS A 52 -7.759 -15.934 15.021 1.00 21.24 H new ATOM 0 HB3 HIS A 52 -7.780 -17.115 13.727 1.00 21.24 H new ATOM 0 HD1 HIS A 52 -5.512 -15.171 15.820 1.00 64.31 H new ATOM 0 HD2 HIS A 52 -5.351 -16.967 12.046 1.00 44.32 H new ATOM 0 HE1 HIS A 52 -3.054 -15.370 15.227 1.00 15.30 H new ATOM 828 N PRO A 53 -9.766 -16.370 11.745 1.00 50.53 N ATOM 829 CA PRO A 53 -11.109 -16.882 11.400 1.00 22.30 C ATOM 830 C PRO A 53 -11.725 -17.740 12.520 1.00 12.35 C ATOM 831 O PRO A 53 -12.936 -17.957 12.564 1.00 71.25 O ATOM 832 CB PRO A 53 -10.858 -17.728 10.138 1.00 22.25 C ATOM 833 CG PRO A 53 -9.405 -18.067 10.185 1.00 72.24 C ATOM 834 CD PRO A 53 -8.732 -16.883 10.825 1.00 63.22 C ATOM 0 HA PRO A 53 -11.824 -16.073 11.250 1.00 22.30 H new ATOM 0 HB2 PRO A 53 -11.474 -18.628 10.137 1.00 22.25 H new ATOM 0 HB3 PRO A 53 -11.105 -17.171 9.234 1.00 22.25 H new ATOM 0 HG2 PRO A 53 -9.233 -18.975 10.763 1.00 72.24 H new ATOM 0 HG3 PRO A 53 -9.012 -18.247 9.184 1.00 72.24 H new ATOM 0 HD2 PRO A 53 -7.826 -17.173 11.357 1.00 63.22 H new ATOM 0 HD3 PRO A 53 -8.442 -16.136 10.086 1.00 63.22 H new ATOM 842 N ASP A 54 -10.877 -18.231 13.419 1.00 12.01 N ATOM 843 CA ASP A 54 -11.320 -19.027 14.569 1.00 64.41 C ATOM 844 C ASP A 54 -11.851 -18.141 15.713 1.00 53.04 C ATOM 845 O ASP A 54 -12.366 -18.651 16.712 1.00 24.52 O ATOM 846 CB ASP A 54 -10.147 -19.870 15.084 1.00 70.55 C ATOM 847 CG ASP A 54 -9.627 -20.863 14.061 1.00 41.25 C ATOM 848 OD1 ASP A 54 -9.144 -20.431 12.994 1.00 42.32 O ATOM 849 OD2 ASP A 54 -9.683 -22.083 14.329 1.00 2.01 O ATOM 0 H ASP A 54 -9.868 -18.092 13.375 1.00 12.01 H new ATOM 0 HA ASP A 54 -12.136 -19.668 14.237 1.00 64.41 H new ATOM 0 HB2 ASP A 54 -9.335 -19.207 15.382 1.00 70.55 H new ATOM 0 HB3 ASP A 54 -10.461 -20.410 15.977 1.00 70.55 H new ATOM 854 N ALA A 55 -11.727 -16.819 15.554 1.00 10.44 N ATOM 855 CA ALA A 55 -12.053 -15.853 16.617 1.00 41.35 C ATOM 856 C ALA A 55 -13.402 -16.135 17.308 1.00 73.20 C ATOM 857 O ALA A 55 -13.433 -16.527 18.473 1.00 15.14 O ATOM 858 CB ALA A 55 -12.041 -14.433 16.058 1.00 22.20 C ATOM 0 H ALA A 55 -11.400 -16.387 14.690 1.00 10.44 H new ATOM 0 HA ALA A 55 -11.283 -15.962 17.380 1.00 41.35 H new ATOM 0 HB1 ALA A 55 -12.283 -13.727 16.852 1.00 22.20 H new ATOM 0 HB2 ALA A 55 -11.051 -14.207 15.661 1.00 22.20 H new ATOM 0 HB3 ALA A 55 -12.780 -14.350 15.261 1.00 22.20 H new ATOM 864 N THR A 56 -14.508 -15.952 16.584 1.00 32.23 N ATOM 865 CA THR A 56 -15.859 -16.078 17.173 1.00 41.32 C ATOM 866 C THR A 56 -16.054 -17.398 17.943 1.00 4.13 C ATOM 867 O THR A 56 -16.772 -17.443 18.945 1.00 2.24 O ATOM 868 CB THR A 56 -16.971 -15.953 16.098 1.00 34.23 C ATOM 869 OG1 THR A 56 -18.266 -16.053 16.711 1.00 30.31 O ATOM 870 CG2 THR A 56 -16.831 -17.027 15.022 1.00 31.21 C ATOM 0 H THR A 56 -14.504 -15.717 15.592 1.00 32.23 H new ATOM 0 HA THR A 56 -15.943 -15.252 17.879 1.00 41.32 H new ATOM 0 HB THR A 56 -16.864 -14.977 15.624 1.00 34.23 H new ATOM 0 HG1 THR A 56 -18.960 -15.971 16.024 1.00 30.31 H new ATOM 0 HG21 THR A 56 -17.626 -16.910 14.285 1.00 31.21 H new ATOM 0 HG22 THR A 56 -15.863 -16.926 14.531 1.00 31.21 H new ATOM 0 HG23 THR A 56 -16.904 -18.013 15.481 1.00 31.21 H new ATOM 878 N SER A 57 -15.396 -18.462 17.487 1.00 40.03 N ATOM 879 CA SER A 57 -15.485 -19.775 18.148 1.00 3.23 C ATOM 880 C SER A 57 -14.625 -19.827 19.420 1.00 34.33 C ATOM 881 O SER A 57 -15.076 -20.275 20.475 1.00 13.23 O ATOM 882 CB SER A 57 -15.047 -20.891 17.186 1.00 22.21 C ATOM 883 OG SER A 57 -15.029 -22.159 17.831 1.00 55.12 O ATOM 0 H SER A 57 -14.794 -18.447 16.664 1.00 40.03 H new ATOM 0 HA SER A 57 -16.526 -19.927 18.432 1.00 3.23 H new ATOM 0 HB2 SER A 57 -15.726 -20.925 16.334 1.00 22.21 H new ATOM 0 HB3 SER A 57 -14.055 -20.667 16.795 1.00 22.21 H new ATOM 0 HG SER A 57 -14.748 -22.847 17.192 1.00 55.12 H new ATOM 889 N LYS A 58 -13.387 -19.348 19.318 1.00 22.43 N ATOM 890 CA LYS A 58 -12.426 -19.419 20.429 1.00 70.41 C ATOM 891 C LYS A 58 -12.539 -18.220 21.384 1.00 51.32 C ATOM 892 O LYS A 58 -11.837 -18.152 22.394 1.00 2.24 O ATOM 893 CB LYS A 58 -11.004 -19.545 19.870 1.00 60.42 C ATOM 894 CG LYS A 58 -10.782 -20.858 19.129 1.00 72.13 C ATOM 895 CD LYS A 58 -9.393 -20.964 18.512 1.00 14.33 C ATOM 896 CE LYS A 58 -9.142 -22.364 17.958 1.00 23.32 C ATOM 897 NZ LYS A 58 -10.219 -22.807 17.027 1.00 23.21 N ATOM 0 H LYS A 58 -13.020 -18.904 18.476 1.00 22.43 H new ATOM 0 HA LYS A 58 -12.664 -20.303 21.020 1.00 70.41 H new ATOM 0 HB2 LYS A 58 -10.808 -18.713 19.194 1.00 60.42 H new ATOM 0 HB3 LYS A 58 -10.287 -19.467 20.688 1.00 60.42 H new ATOM 0 HG2 LYS A 58 -10.932 -21.688 19.819 1.00 72.13 H new ATOM 0 HG3 LYS A 58 -11.531 -20.957 18.344 1.00 72.13 H new ATOM 0 HD2 LYS A 58 -9.290 -20.230 17.713 1.00 14.33 H new ATOM 0 HD3 LYS A 58 -8.639 -20.726 19.263 1.00 14.33 H new ATOM 0 HE2 LYS A 58 -8.185 -22.379 17.436 1.00 23.32 H new ATOM 0 HE3 LYS A 58 -9.066 -23.071 18.784 1.00 23.32 H new ATOM 0 HZ1 LYS A 58 -10.190 -23.842 16.930 1.00 23.21 H new ATOM 0 HZ2 LYS A 58 -11.144 -22.520 17.405 1.00 23.21 H new ATOM 0 HZ3 LYS A 58 -10.075 -22.368 16.095 1.00 23.21 H new ATOM 911 N ILE A 59 -13.422 -17.281 21.061 1.00 52.43 N ATOM 912 CA ILE A 59 -13.738 -16.164 21.961 1.00 10.11 C ATOM 913 C ILE A 59 -15.132 -16.339 22.584 1.00 52.10 C ATOM 914 O ILE A 59 -15.291 -16.299 23.807 1.00 5.34 O ATOM 915 CB ILE A 59 -13.684 -14.795 21.224 1.00 30.40 C ATOM 916 CG1 ILE A 59 -12.273 -14.537 20.668 1.00 64.50 C ATOM 917 CG2 ILE A 59 -14.109 -13.658 22.158 1.00 45.52 C ATOM 918 CD1 ILE A 59 -12.136 -13.238 19.899 1.00 54.21 C ATOM 0 H ILE A 59 -13.936 -17.267 20.180 1.00 52.43 H new ATOM 0 HA ILE A 59 -12.981 -16.171 22.745 1.00 10.11 H new ATOM 0 HB ILE A 59 -14.384 -14.830 20.389 1.00 30.40 H new ATOM 0 HG12 ILE A 59 -11.564 -14.533 21.496 1.00 64.50 H new ATOM 0 HG13 ILE A 59 -11.995 -15.364 20.015 1.00 64.50 H new ATOM 0 HG21 ILE A 59 -14.064 -12.710 21.622 1.00 45.52 H new ATOM 0 HG22 ILE A 59 -15.129 -13.832 22.502 1.00 45.52 H new ATOM 0 HG23 ILE A 59 -13.438 -13.622 23.016 1.00 45.52 H new ATOM 0 HD11 ILE A 59 -11.112 -13.133 19.542 1.00 54.21 H new ATOM 0 HD12 ILE A 59 -12.818 -13.245 19.049 1.00 54.21 H new ATOM 0 HD13 ILE A 59 -12.380 -12.401 20.553 1.00 54.21 H new ATOM 930 N GLY A 60 -16.139 -16.545 21.734 1.00 53.43 N ATOM 931 CA GLY A 60 -17.517 -16.616 22.206 1.00 23.33 C ATOM 932 C GLY A 60 -18.014 -15.270 22.729 1.00 1.43 C ATOM 933 O GLY A 60 -18.040 -14.289 21.981 1.00 32.40 O ATOM 0 H GLY A 60 -16.026 -16.664 20.727 1.00 53.43 H new ATOM 0 HA2 GLY A 60 -18.162 -16.949 21.393 1.00 23.33 H new ATOM 0 HA3 GLY A 60 -17.591 -17.362 22.997 1.00 23.33 H new ATOM 937 N PRO A 61 -18.426 -15.188 24.009 1.00 41.32 N ATOM 938 CA PRO A 61 -18.769 -13.908 24.647 1.00 21.24 C ATOM 939 C PRO A 61 -17.523 -13.107 25.085 1.00 12.41 C ATOM 940 O PRO A 61 -17.464 -11.884 24.914 1.00 12.13 O ATOM 941 CB PRO A 61 -19.598 -14.346 25.860 1.00 23.41 C ATOM 942 CG PRO A 61 -19.058 -15.692 26.218 1.00 74.54 C ATOM 943 CD PRO A 61 -18.628 -16.335 24.921 1.00 42.31 C ATOM 0 HA PRO A 61 -19.296 -13.235 23.970 1.00 21.24 H new ATOM 0 HB2 PRO A 61 -19.493 -13.644 26.687 1.00 23.41 H new ATOM 0 HB3 PRO A 61 -20.660 -14.396 25.618 1.00 23.41 H new ATOM 0 HG2 PRO A 61 -18.217 -15.603 26.905 1.00 74.54 H new ATOM 0 HG3 PRO A 61 -19.816 -16.295 26.718 1.00 74.54 H new ATOM 0 HD2 PRO A 61 -17.712 -16.913 25.045 1.00 42.31 H new ATOM 0 HD3 PRO A 61 -19.388 -17.019 24.542 1.00 42.31 H new ATOM 951 N GLY A 62 -16.524 -13.803 25.636 1.00 72.20 N ATOM 952 CA GLY A 62 -15.316 -13.136 26.110 1.00 72.10 C ATOM 953 C GLY A 62 -14.269 -14.098 26.672 1.00 35.52 C ATOM 954 O GLY A 62 -14.500 -15.308 26.758 1.00 55.43 O ATOM 0 H GLY A 62 -16.530 -14.815 25.762 1.00 72.20 H new ATOM 0 HA2 GLY A 62 -14.876 -12.572 25.288 1.00 72.10 H new ATOM 0 HA3 GLY A 62 -15.587 -12.415 26.882 1.00 72.10 H new ATOM 958 N VAL A 63 -13.115 -13.555 27.062 1.00 3.10 N ATOM 959 CA VAL A 63 -12.012 -14.361 27.604 1.00 42.41 C ATOM 960 C VAL A 63 -11.780 -14.063 29.097 1.00 23.24 C ATOM 961 O VAL A 63 -11.672 -12.904 29.500 1.00 62.41 O ATOM 962 CB VAL A 63 -10.695 -14.097 26.827 1.00 11.12 C ATOM 963 CG1 VAL A 63 -9.551 -14.948 27.379 1.00 25.51 C ATOM 964 CG2 VAL A 63 -10.888 -14.349 25.329 1.00 52.44 C ATOM 0 H VAL A 63 -12.916 -12.556 27.014 1.00 3.10 H new ATOM 0 HA VAL A 63 -12.297 -15.407 27.489 1.00 42.41 H new ATOM 0 HB VAL A 63 -10.429 -13.049 26.964 1.00 11.12 H new ATOM 0 HG11 VAL A 63 -8.640 -14.743 26.816 1.00 25.51 H new ATOM 0 HG12 VAL A 63 -9.391 -14.705 28.429 1.00 25.51 H new ATOM 0 HG13 VAL A 63 -9.805 -16.004 27.286 1.00 25.51 H new ATOM 0 HG21 VAL A 63 -9.952 -14.158 24.804 1.00 52.44 H new ATOM 0 HG22 VAL A 63 -11.188 -15.385 25.170 1.00 52.44 H new ATOM 0 HG23 VAL A 63 -11.662 -13.684 24.945 1.00 52.44 H new ATOM 974 N ARG A 64 -11.704 -15.112 29.911 1.00 51.55 N ATOM 975 CA ARG A 64 -11.461 -14.961 31.351 1.00 14.02 C ATOM 976 C ARG A 64 -9.950 -14.827 31.623 1.00 73.23 C ATOM 977 O ARG A 64 -9.505 -13.865 32.249 1.00 2.41 O ATOM 978 CB ARG A 64 -12.059 -16.166 32.106 1.00 10.03 C ATOM 979 CG ARG A 64 -12.430 -15.889 33.565 1.00 44.30 C ATOM 980 CD ARG A 64 -11.214 -15.777 34.476 1.00 44.13 C ATOM 981 NE ARG A 64 -11.591 -15.436 35.846 1.00 72.32 N ATOM 982 CZ ARG A 64 -10.890 -15.740 36.902 1.00 45.43 C ATOM 983 NH1 ARG A 64 -9.829 -16.471 36.804 1.00 73.31 N ATOM 984 NH2 ARG A 64 -11.278 -15.337 38.064 1.00 72.14 N ATOM 0 H ARG A 64 -11.807 -16.079 29.602 1.00 51.55 H new ATOM 0 HA ARG A 64 -11.947 -14.054 31.709 1.00 14.02 H new ATOM 0 HB2 ARG A 64 -12.950 -16.503 31.577 1.00 10.03 H new ATOM 0 HB3 ARG A 64 -11.342 -16.987 32.077 1.00 10.03 H new ATOM 0 HG2 ARG A 64 -13.004 -14.964 33.619 1.00 44.30 H new ATOM 0 HG3 ARG A 64 -13.077 -16.688 33.928 1.00 44.30 H new ATOM 0 HD2 ARG A 64 -10.670 -16.721 34.473 1.00 44.13 H new ATOM 0 HD3 ARG A 64 -10.536 -15.018 34.086 1.00 44.13 H new ATOM 0 HE ARG A 64 -12.463 -14.925 35.986 1.00 72.32 H new ATOM 0 HH11 ARG A 64 -9.531 -16.818 35.892 1.00 73.31 H new ATOM 0 HH12 ARG A 64 -9.290 -16.701 37.638 1.00 73.31 H new ATOM 0 HH21 ARG A 64 -12.130 -14.783 38.153 1.00 72.14 H new ATOM 0 HH22 ARG A 64 -10.733 -15.572 38.894 1.00 72.14 H new ATOM 998 N ASN A 65 -9.175 -15.801 31.144 1.00 14.55 N ATOM 999 CA ASN A 65 -7.706 -15.748 31.211 1.00 25.12 C ATOM 1000 C ASN A 65 -7.069 -16.845 30.335 1.00 4.14 C ATOM 1001 O ASN A 65 -7.769 -17.586 29.642 1.00 63.24 O ATOM 1002 CB ASN A 65 -7.204 -15.852 32.667 1.00 72.05 C ATOM 1003 CG ASN A 65 -7.675 -17.103 33.386 1.00 43.14 C ATOM 1004 OD1 ASN A 65 -7.937 -18.131 32.779 1.00 33.53 O ATOM 1005 ND2 ASN A 65 -7.757 -17.035 34.700 1.00 64.21 N ATOM 0 H ASN A 65 -9.540 -16.644 30.701 1.00 14.55 H new ATOM 0 HA ASN A 65 -7.397 -14.779 30.819 1.00 25.12 H new ATOM 0 HB2 ASN A 65 -6.114 -15.831 32.669 1.00 72.05 H new ATOM 0 HB3 ASN A 65 -7.541 -14.976 33.222 1.00 72.05 H new ATOM 0 HD21 ASN A 65 -8.045 -17.854 35.236 1.00 64.21 H new ATOM 0 HD22 ASN A 65 -7.532 -16.164 35.181 1.00 64.21 H new ATOM 1012 N PHE A 66 -5.740 -16.934 30.354 1.00 43.42 N ATOM 1013 CA PHE A 66 -5.014 -17.951 29.574 1.00 4.25 C ATOM 1014 C PHE A 66 -4.187 -18.868 30.487 1.00 1.40 C ATOM 1015 O PHE A 66 -3.648 -18.426 31.500 1.00 60.14 O ATOM 1016 CB PHE A 66 -4.091 -17.283 28.544 1.00 72.33 C ATOM 1017 CG PHE A 66 -4.823 -16.519 27.467 1.00 4.31 C ATOM 1018 CD1 PHE A 66 -5.277 -15.228 27.696 1.00 1.42 C ATOM 1019 CD2 PHE A 66 -5.054 -17.094 26.224 1.00 13.44 C ATOM 1020 CE1 PHE A 66 -5.945 -14.528 26.711 1.00 64.41 C ATOM 1021 CE2 PHE A 66 -5.721 -16.395 25.236 1.00 42.43 C ATOM 1022 CZ PHE A 66 -6.166 -15.112 25.479 1.00 1.30 C ATOM 0 H PHE A 66 -5.138 -16.317 30.899 1.00 43.42 H new ATOM 0 HA PHE A 66 -5.756 -18.557 29.054 1.00 4.25 H new ATOM 0 HB2 PHE A 66 -3.417 -16.602 29.063 1.00 72.33 H new ATOM 0 HB3 PHE A 66 -3.472 -18.048 28.075 1.00 72.33 H new ATOM 0 HD1 PHE A 66 -5.106 -14.765 28.657 1.00 1.42 H new ATOM 0 HD2 PHE A 66 -4.709 -18.098 26.027 1.00 13.44 H new ATOM 0 HE1 PHE A 66 -6.294 -13.524 26.904 1.00 64.41 H new ATOM 0 HE2 PHE A 66 -5.894 -16.853 24.273 1.00 42.43 H new ATOM 0 HZ PHE A 66 -6.687 -14.565 24.707 1.00 1.30 H new ATOM 1032 N GLU A 67 -4.081 -20.139 30.113 1.00 44.24 N ATOM 1033 CA GLU A 67 -3.327 -21.127 30.896 1.00 73.34 C ATOM 1034 C GLU A 67 -2.289 -21.859 30.031 1.00 34.51 C ATOM 1035 O GLU A 67 -2.584 -22.284 28.915 1.00 20.33 O ATOM 1036 CB GLU A 67 -4.297 -22.138 31.522 1.00 31.24 C ATOM 1037 CG GLU A 67 -3.619 -23.253 32.313 1.00 22.21 C ATOM 1038 CD GLU A 67 -4.622 -24.184 32.976 1.00 51.33 C ATOM 1039 OE1 GLU A 67 -5.331 -24.917 32.254 1.00 73.23 O ATOM 1040 OE2 GLU A 67 -4.723 -24.173 34.221 1.00 54.11 O ATOM 0 H GLU A 67 -4.509 -20.516 29.267 1.00 44.24 H new ATOM 0 HA GLU A 67 -2.789 -20.598 31.683 1.00 73.34 H new ATOM 0 HB2 GLU A 67 -4.982 -21.606 32.182 1.00 31.24 H new ATOM 0 HB3 GLU A 67 -4.899 -22.584 30.730 1.00 31.24 H new ATOM 0 HG2 GLU A 67 -2.977 -23.829 31.647 1.00 22.21 H new ATOM 0 HG3 GLU A 67 -2.975 -22.815 33.075 1.00 22.21 H new ATOM 1047 N VAL A 68 -1.073 -22.003 30.549 1.00 43.35 N ATOM 1048 CA VAL A 68 -0.012 -22.714 29.832 1.00 34.30 C ATOM 1049 C VAL A 68 0.001 -24.207 30.195 1.00 74.34 C ATOM 1050 O VAL A 68 0.415 -24.583 31.289 1.00 51.41 O ATOM 1051 CB VAL A 68 1.378 -22.100 30.135 1.00 23.24 C ATOM 1052 CG1 VAL A 68 2.490 -22.897 29.451 1.00 64.33 C ATOM 1053 CG2 VAL A 68 1.418 -20.633 29.708 1.00 23.32 C ATOM 0 H VAL A 68 -0.795 -21.639 31.460 1.00 43.35 H new ATOM 0 HA VAL A 68 -0.221 -22.610 28.767 1.00 34.30 H new ATOM 0 HB VAL A 68 1.546 -22.150 31.211 1.00 23.24 H new ATOM 0 HG11 VAL A 68 3.455 -22.445 29.680 1.00 64.33 H new ATOM 0 HG12 VAL A 68 2.476 -23.925 29.813 1.00 64.33 H new ATOM 0 HG13 VAL A 68 2.332 -22.890 28.372 1.00 64.33 H new ATOM 0 HG21 VAL A 68 2.401 -20.217 29.928 1.00 23.32 H new ATOM 0 HG22 VAL A 68 1.224 -20.560 28.638 1.00 23.32 H new ATOM 0 HG23 VAL A 68 0.657 -20.074 30.253 1.00 23.32 H new ATOM 1063 N ARG A 69 -0.458 -25.058 29.278 1.00 34.22 N ATOM 1064 CA ARG A 69 -0.485 -26.507 29.522 1.00 34.21 C ATOM 1065 C ARG A 69 0.372 -27.250 28.485 1.00 72.31 C ATOM 1066 O ARG A 69 0.582 -26.758 27.373 1.00 30.13 O ATOM 1067 CB ARG A 69 -1.934 -27.030 29.489 1.00 54.10 C ATOM 1068 CG ARG A 69 -2.119 -28.387 30.171 1.00 52.34 C ATOM 1069 CD ARG A 69 -3.550 -28.913 30.047 1.00 60.42 C ATOM 1070 NE ARG A 69 -3.821 -29.478 28.725 1.00 12.13 N ATOM 1071 CZ ARG A 69 -4.956 -30.028 28.376 1.00 31.44 C ATOM 1072 NH1 ARG A 69 -5.979 -29.997 29.161 1.00 50.42 N ATOM 1073 NH2 ARG A 69 -5.071 -30.589 27.218 1.00 2.45 N ATOM 0 H ARG A 69 -0.815 -24.776 28.365 1.00 34.22 H new ATOM 0 HA ARG A 69 -0.067 -26.694 30.511 1.00 34.21 H new ATOM 0 HB2 ARG A 69 -2.584 -26.300 29.971 1.00 54.10 H new ATOM 0 HB3 ARG A 69 -2.258 -27.109 28.451 1.00 54.10 H new ATOM 0 HG2 ARG A 69 -1.430 -29.108 29.731 1.00 52.34 H new ATOM 0 HG3 ARG A 69 -1.857 -28.299 31.225 1.00 52.34 H new ATOM 0 HD2 ARG A 69 -3.722 -29.675 30.807 1.00 60.42 H new ATOM 0 HD3 ARG A 69 -4.251 -28.102 30.244 1.00 60.42 H new ATOM 0 HE ARG A 69 -3.076 -29.441 28.029 1.00 12.13 H new ATOM 0 HH11 ARG A 69 -5.911 -29.539 30.070 1.00 50.42 H new ATOM 0 HH12 ARG A 69 -6.856 -30.431 28.873 1.00 50.42 H new ATOM 0 HH21 ARG A 69 -4.278 -30.603 26.577 1.00 2.45 H new ATOM 0 HH22 ARG A 69 -5.955 -31.018 26.945 1.00 2.45 H new ATOM 1087 N SER A 70 0.872 -28.429 28.854 1.00 24.52 N ATOM 1088 CA SER A 70 1.680 -29.250 27.938 1.00 22.42 C ATOM 1089 C SER A 70 0.805 -29.891 26.853 1.00 73.20 C ATOM 1090 O SER A 70 -0.267 -30.426 27.141 1.00 3.45 O ATOM 1091 CB SER A 70 2.422 -30.352 28.708 1.00 20.32 C ATOM 1092 OG SER A 70 1.511 -31.228 29.356 1.00 44.24 O ATOM 0 H SER A 70 0.735 -28.841 29.777 1.00 24.52 H new ATOM 0 HA SER A 70 2.406 -28.591 27.462 1.00 22.42 H new ATOM 0 HB2 SER A 70 3.050 -30.919 28.021 1.00 20.32 H new ATOM 0 HB3 SER A 70 3.084 -29.900 29.447 1.00 20.32 H new ATOM 0 HG SER A 70 2.010 -31.921 29.837 1.00 44.24 H new ATOM 1162 N GLN A 76 4.637 -26.858 24.538 1.00 20.34 N ATOM 1163 CA GLN A 76 3.721 -26.051 25.355 1.00 3.10 C ATOM 1164 C GLN A 76 2.614 -25.436 24.482 1.00 23.14 C ATOM 1165 O GLN A 76 2.836 -25.137 23.308 1.00 62.53 O ATOM 1166 CB GLN A 76 4.495 -24.927 26.056 1.00 60.25 C ATOM 1167 CG GLN A 76 5.647 -25.402 26.935 1.00 14.22 C ATOM 1168 CD GLN A 76 6.528 -24.251 27.399 1.00 14.44 C ATOM 1169 OE1 GLN A 76 7.495 -23.891 26.737 1.00 13.53 O ATOM 1170 NE2 GLN A 76 6.195 -23.659 28.531 1.00 10.20 N ATOM 0 HA GLN A 76 3.265 -26.703 26.100 1.00 3.10 H new ATOM 0 HB2 GLN A 76 4.889 -24.248 25.299 1.00 60.25 H new ATOM 0 HB3 GLN A 76 3.800 -24.353 26.669 1.00 60.25 H new ATOM 0 HG2 GLN A 76 5.247 -25.925 27.804 1.00 14.22 H new ATOM 0 HG3 GLN A 76 6.252 -26.120 26.382 1.00 14.22 H new ATOM 0 HE21 GLN A 76 5.384 -23.984 29.057 1.00 10.20 H new ATOM 0 HE22 GLN A 76 6.749 -22.877 28.879 1.00 10.20 H new ATOM 1179 N CYS A 77 1.431 -25.236 25.058 1.00 23.04 N ATOM 1180 CA CYS A 77 0.311 -24.630 24.320 1.00 73.34 C ATOM 1181 C CYS A 77 -0.506 -23.679 25.208 1.00 33.35 C ATOM 1182 O CYS A 77 -0.751 -23.962 26.384 1.00 73.33 O ATOM 1183 CB CYS A 77 -0.608 -25.721 23.749 1.00 1.40 C ATOM 1184 SG CYS A 77 -1.330 -26.809 25.000 1.00 73.30 S ATOM 0 H CYS A 77 1.218 -25.480 26.025 1.00 23.04 H new ATOM 0 HA CYS A 77 0.737 -24.049 23.502 1.00 73.34 H new ATOM 0 HB2 CYS A 77 -1.413 -25.246 23.188 1.00 1.40 H new ATOM 0 HB3 CYS A 77 -0.040 -26.325 23.042 1.00 1.40 H new ATOM 0 HG CYS A 77 -2.379 -26.240 25.517 1.00 73.30 H new ATOM 1190 N PHE A 78 -0.920 -22.545 24.634 1.00 44.44 N ATOM 1191 CA PHE A 78 -1.770 -21.576 25.339 1.00 72.42 C ATOM 1192 C PHE A 78 -3.253 -21.980 25.269 1.00 42.21 C ATOM 1193 O PHE A 78 -3.846 -22.030 24.187 1.00 45.30 O ATOM 1194 CB PHE A 78 -1.598 -20.164 24.745 1.00 50.12 C ATOM 1195 CG PHE A 78 -0.259 -19.519 25.018 1.00 50.01 C ATOM 1196 CD1 PHE A 78 0.033 -19.009 26.276 1.00 31.30 C ATOM 1197 CD2 PHE A 78 0.697 -19.403 24.018 1.00 12.32 C ATOM 1198 CE1 PHE A 78 1.248 -18.403 26.531 1.00 21.22 C ATOM 1199 CE2 PHE A 78 1.913 -18.794 24.268 1.00 61.23 C ATOM 1200 CZ PHE A 78 2.188 -18.293 25.527 1.00 30.00 C ATOM 0 H PHE A 78 -0.680 -22.274 23.680 1.00 44.44 H new ATOM 0 HA PHE A 78 -1.456 -21.569 26.383 1.00 72.42 H new ATOM 0 HB2 PHE A 78 -1.746 -20.219 23.666 1.00 50.12 H new ATOM 0 HB3 PHE A 78 -2.383 -19.520 25.142 1.00 50.12 H new ATOM 0 HD1 PHE A 78 -0.700 -19.087 27.066 1.00 31.30 H new ATOM 0 HD2 PHE A 78 0.488 -19.793 23.033 1.00 12.32 H new ATOM 0 HE1 PHE A 78 1.462 -18.015 27.516 1.00 21.22 H new ATOM 0 HE2 PHE A 78 2.647 -18.710 23.481 1.00 61.23 H new ATOM 0 HZ PHE A 78 3.137 -17.816 25.724 1.00 30.00 H new ATOM 1210 N TRP A 79 -3.842 -22.275 26.424 1.00 64.34 N ATOM 1211 CA TRP A 79 -5.271 -22.587 26.515 1.00 5.32 C ATOM 1212 C TRP A 79 -6.095 -21.349 26.902 1.00 0.31 C ATOM 1213 O TRP A 79 -5.791 -20.655 27.873 1.00 11.04 O ATOM 1214 CB TRP A 79 -5.512 -23.725 27.517 1.00 13.50 C ATOM 1215 CG TRP A 79 -5.144 -25.077 26.977 1.00 22.00 C ATOM 1216 CD1 TRP A 79 -3.904 -25.646 26.942 1.00 74.32 C ATOM 1217 CD2 TRP A 79 -6.036 -26.025 26.381 1.00 20.20 C ATOM 1218 NE1 TRP A 79 -3.974 -26.892 26.366 1.00 2.14 N ATOM 1219 CE2 TRP A 79 -5.273 -27.146 26.014 1.00 14.03 C ATOM 1220 CE3 TRP A 79 -7.410 -26.032 26.131 1.00 52.41 C ATOM 1221 CZ2 TRP A 79 -5.837 -28.261 25.402 1.00 14.55 C ATOM 1222 CZ3 TRP A 79 -7.971 -27.138 25.523 1.00 73.54 C ATOM 1223 CH2 TRP A 79 -7.186 -28.242 25.167 1.00 44.34 C ATOM 0 H TRP A 79 -3.351 -22.305 27.317 1.00 64.34 H new ATOM 0 HA TRP A 79 -5.601 -22.912 25.528 1.00 5.32 H new ATOM 0 HB2 TRP A 79 -4.934 -23.533 28.421 1.00 13.50 H new ATOM 0 HB3 TRP A 79 -6.563 -23.730 27.805 1.00 13.50 H new ATOM 0 HD1 TRP A 79 -3.000 -25.185 27.313 1.00 74.32 H new ATOM 0 HE1 TRP A 79 -3.187 -27.525 26.224 1.00 2.14 H new ATOM 0 HE3 TRP A 79 -8.023 -25.187 26.408 1.00 52.41 H new ATOM 0 HZ2 TRP A 79 -5.232 -29.111 25.122 1.00 14.55 H new ATOM 0 HZ3 TRP A 79 -9.031 -27.152 25.319 1.00 73.54 H new ATOM 0 HH2 TRP A 79 -7.654 -29.095 24.698 1.00 44.34 H new ATOM 1234 N ILE A 80 -7.137 -21.088 26.124 1.00 34.21 N ATOM 1235 CA ILE A 80 -8.019 -19.937 26.329 1.00 61.21 C ATOM 1236 C ILE A 80 -9.197 -20.292 27.247 1.00 43.22 C ATOM 1237 O ILE A 80 -10.093 -21.042 26.856 1.00 21.30 O ATOM 1238 CB ILE A 80 -8.589 -19.442 24.975 1.00 23.21 C ATOM 1239 CG1 ILE A 80 -7.461 -19.280 23.943 1.00 64.31 C ATOM 1240 CG2 ILE A 80 -9.349 -18.126 25.155 1.00 4.44 C ATOM 1241 CD1 ILE A 80 -7.959 -18.985 22.545 1.00 60.51 C ATOM 0 H ILE A 80 -7.399 -21.669 25.328 1.00 34.21 H new ATOM 0 HA ILE A 80 -7.421 -19.154 26.795 1.00 61.21 H new ATOM 0 HB ILE A 80 -9.290 -20.190 24.605 1.00 23.21 H new ATOM 0 HG12 ILE A 80 -6.800 -18.474 24.262 1.00 64.31 H new ATOM 0 HG13 ILE A 80 -6.864 -20.192 23.923 1.00 64.31 H new ATOM 0 HG21 ILE A 80 -9.740 -17.797 24.192 1.00 4.44 H new ATOM 0 HG22 ILE A 80 -10.175 -18.275 25.851 1.00 4.44 H new ATOM 0 HG23 ILE A 80 -8.674 -17.367 25.551 1.00 4.44 H new ATOM 0 HD11 ILE A 80 -7.109 -18.883 21.870 1.00 60.51 H new ATOM 0 HD12 ILE A 80 -8.596 -19.802 22.206 1.00 60.51 H new ATOM 0 HD13 ILE A 80 -8.531 -18.057 22.551 1.00 60.51 H new ATOM 1253 N LEU A 81 -9.197 -19.761 28.465 1.00 55.54 N ATOM 1254 CA LEU A 81 -10.326 -19.953 29.378 1.00 71.52 C ATOM 1255 C LEU A 81 -11.441 -18.949 29.056 1.00 20.02 C ATOM 1256 O LEU A 81 -11.432 -17.814 29.530 1.00 63.01 O ATOM 1257 CB LEU A 81 -9.884 -19.825 30.849 1.00 31.41 C ATOM 1258 CG LEU A 81 -9.017 -20.980 31.392 1.00 23.33 C ATOM 1259 CD1 LEU A 81 -9.745 -22.316 31.260 1.00 11.10 C ATOM 1260 CD2 LEU A 81 -7.658 -21.028 30.696 1.00 3.40 C ATOM 0 H LEU A 81 -8.436 -19.198 28.844 1.00 55.54 H new ATOM 0 HA LEU A 81 -10.711 -20.963 29.237 1.00 71.52 H new ATOM 0 HB2 LEU A 81 -9.328 -18.894 30.962 1.00 31.41 H new ATOM 0 HB3 LEU A 81 -10.775 -19.741 31.471 1.00 31.41 H new ATOM 0 HG LEU A 81 -8.840 -20.793 32.451 1.00 23.33 H new ATOM 0 HD11 LEU A 81 -9.113 -23.115 31.649 1.00 11.10 H new ATOM 0 HD12 LEU A 81 -10.676 -22.281 31.826 1.00 11.10 H new ATOM 0 HD13 LEU A 81 -9.966 -22.508 30.210 1.00 11.10 H new ATOM 0 HD21 LEU A 81 -7.071 -21.852 31.101 1.00 3.40 H new ATOM 0 HD22 LEU A 81 -7.802 -21.176 29.626 1.00 3.40 H new ATOM 0 HD23 LEU A 81 -7.130 -20.089 30.864 1.00 3.40 H new ATOM 1272 N ARG A 82 -12.380 -19.370 28.211 1.00 61.32 N ATOM 1273 CA ARG A 82 -13.482 -18.507 27.767 1.00 53.34 C ATOM 1274 C ARG A 82 -14.532 -18.301 28.868 1.00 10.14 C ATOM 1275 O ARG A 82 -14.844 -19.223 29.627 1.00 40.42 O ATOM 1276 CB ARG A 82 -14.147 -19.115 26.522 1.00 62.42 C ATOM 1277 CG ARG A 82 -13.235 -19.158 25.300 1.00 60.24 C ATOM 1278 CD ARG A 82 -13.844 -19.966 24.154 1.00 3.42 C ATOM 1279 NE ARG A 82 -13.828 -21.405 24.420 1.00 71.25 N ATOM 1280 CZ ARG A 82 -14.118 -22.320 23.528 1.00 21.31 C ATOM 1281 NH1 ARG A 82 -14.517 -21.990 22.342 1.00 11.55 N ATOM 1282 NH2 ARG A 82 -14.005 -23.574 23.819 1.00 71.40 N ATOM 0 H ARG A 82 -12.403 -20.310 27.815 1.00 61.32 H new ATOM 0 HA ARG A 82 -13.061 -17.531 27.526 1.00 53.34 H new ATOM 0 HB2 ARG A 82 -14.476 -20.128 26.755 1.00 62.42 H new ATOM 0 HB3 ARG A 82 -15.039 -18.538 26.279 1.00 62.42 H new ATOM 0 HG2 ARG A 82 -13.037 -18.141 24.960 1.00 60.24 H new ATOM 0 HG3 ARG A 82 -12.276 -19.593 25.580 1.00 60.24 H new ATOM 0 HD2 ARG A 82 -14.871 -19.641 23.989 1.00 3.42 H new ATOM 0 HD3 ARG A 82 -13.293 -19.762 23.236 1.00 3.42 H new ATOM 0 HE ARG A 82 -13.575 -21.715 25.358 1.00 71.25 H new ATOM 0 HH11 ARG A 82 -14.610 -21.006 22.090 1.00 11.55 H new ATOM 0 HH12 ARG A 82 -14.739 -22.714 21.659 1.00 11.55 H new ATOM 0 HH21 ARG A 82 -13.689 -23.856 24.747 1.00 71.40 H new ATOM 0 HH22 ARG A 82 -14.232 -24.282 23.121 1.00 71.40 H new ATOM 1296 N THR A 83 -15.096 -17.092 28.929 1.00 42.43 N ATOM 1297 CA THR A 83 -16.166 -16.770 29.892 1.00 11.53 C ATOM 1298 C THR A 83 -17.422 -17.609 29.624 1.00 51.22 C ATOM 1299 O THR A 83 -18.334 -17.676 30.450 1.00 2.04 O ATOM 1300 CB THR A 83 -16.545 -15.269 29.849 1.00 62.31 C ATOM 1301 OG1 THR A 83 -16.940 -14.898 28.520 1.00 13.31 O ATOM 1302 CG2 THR A 83 -15.375 -14.397 30.295 1.00 2.00 C ATOM 0 H THR A 83 -14.832 -16.315 28.324 1.00 42.43 H new ATOM 0 HA THR A 83 -15.775 -17.006 30.882 1.00 11.53 H new ATOM 0 HB THR A 83 -17.378 -15.112 30.534 1.00 62.31 H new ATOM 0 HG1 THR A 83 -17.179 -13.948 28.503 1.00 13.31 H new ATOM 0 HG21 THR A 83 -15.667 -13.348 30.256 1.00 2.00 H new ATOM 0 HG22 THR A 83 -15.095 -14.658 31.316 1.00 2.00 H new ATOM 0 HG23 THR A 83 -14.525 -14.562 29.633 1.00 2.00 H new ATOM 1310 N ASP A 84 -17.452 -18.241 28.451 1.00 62.50 N ATOM 1311 CA ASP A 84 -18.495 -19.205 28.088 1.00 23.10 C ATOM 1312 C ASP A 84 -18.597 -20.348 29.123 1.00 20.33 C ATOM 1313 O ASP A 84 -19.660 -20.937 29.315 1.00 2.24 O ATOM 1314 CB ASP A 84 -18.163 -19.774 26.699 1.00 24.24 C ATOM 1315 CG ASP A 84 -19.189 -20.769 26.187 1.00 44.23 C ATOM 1316 OD1 ASP A 84 -19.049 -21.975 26.474 1.00 4.52 O ATOM 1317 OD2 ASP A 84 -20.125 -20.351 25.477 1.00 12.31 O ATOM 0 H ASP A 84 -16.752 -18.100 27.722 1.00 62.50 H new ATOM 0 HA ASP A 84 -19.460 -18.698 28.072 1.00 23.10 H new ATOM 0 HB2 ASP A 84 -18.082 -18.951 25.989 1.00 24.24 H new ATOM 0 HB3 ASP A 84 -17.188 -20.259 26.738 1.00 24.24 H new ATOM 1322 N GLY A 85 -17.483 -20.639 29.795 1.00 14.52 N ATOM 1323 CA GLY A 85 -17.426 -21.772 30.717 1.00 61.44 C ATOM 1324 C GLY A 85 -16.761 -22.992 30.088 1.00 74.25 C ATOM 1325 O GLY A 85 -16.991 -24.126 30.507 1.00 52.24 O ATOM 0 H GLY A 85 -16.614 -20.110 29.719 1.00 14.52 H new ATOM 0 HA2 GLY A 85 -16.877 -21.482 31.613 1.00 61.44 H new ATOM 0 HA3 GLY A 85 -18.436 -22.033 31.033 1.00 61.44 H new ATOM 1329 N SER A 86 -15.944 -22.752 29.063 1.00 11.13 N ATOM 1330 CA SER A 86 -15.234 -23.824 28.346 1.00 62.31 C ATOM 1331 C SER A 86 -13.911 -23.312 27.760 1.00 71.21 C ATOM 1332 O SER A 86 -13.855 -22.221 27.188 1.00 11.11 O ATOM 1333 CB SER A 86 -16.111 -24.391 27.216 1.00 30.03 C ATOM 1334 OG SER A 86 -17.239 -25.091 27.727 1.00 53.55 O ATOM 0 H SER A 86 -15.753 -21.817 28.704 1.00 11.13 H new ATOM 0 HA SER A 86 -15.017 -24.615 29.064 1.00 62.31 H new ATOM 0 HB2 SER A 86 -16.448 -23.577 26.574 1.00 30.03 H new ATOM 0 HB3 SER A 86 -15.517 -25.062 26.596 1.00 30.03 H new ATOM 0 HG SER A 86 -17.255 -25.016 28.704 1.00 53.55 H new ATOM 1340 N GLU A 87 -12.849 -24.099 27.899 1.00 2.23 N ATOM 1341 CA GLU A 87 -11.526 -23.718 27.383 1.00 52.34 C ATOM 1342 C GLU A 87 -11.342 -24.140 25.913 1.00 53.01 C ATOM 1343 O GLU A 87 -12.206 -24.798 25.334 1.00 44.00 O ATOM 1344 CB GLU A 87 -10.399 -24.314 28.249 1.00 13.13 C ATOM 1345 CG GLU A 87 -10.316 -25.843 28.258 1.00 30.44 C ATOM 1346 CD GLU A 87 -11.428 -26.505 29.061 1.00 73.35 C ATOM 1347 OE1 GLU A 87 -11.272 -26.654 30.291 1.00 35.42 O ATOM 1348 OE2 GLU A 87 -12.469 -26.870 28.473 1.00 53.02 O ATOM 0 H GLU A 87 -12.872 -25.007 28.364 1.00 2.23 H new ATOM 0 HA GLU A 87 -11.468 -22.631 27.432 1.00 52.34 H new ATOM 0 HB2 GLU A 87 -9.446 -23.917 27.898 1.00 13.13 H new ATOM 0 HB3 GLU A 87 -10.530 -23.968 29.274 1.00 13.13 H new ATOM 0 HG2 GLU A 87 -10.353 -26.207 27.231 1.00 30.44 H new ATOM 0 HG3 GLU A 87 -9.352 -26.145 28.669 1.00 30.44 H new ATOM 1355 N GLU A 88 -10.218 -23.732 25.319 1.00 11.34 N ATOM 1356 CA GLU A 88 -9.892 -24.067 23.921 1.00 52.11 C ATOM 1357 C GLU A 88 -8.439 -23.687 23.595 1.00 31.52 C ATOM 1358 O GLU A 88 -7.936 -22.685 24.083 1.00 41.12 O ATOM 1359 CB GLU A 88 -10.846 -23.339 22.958 1.00 31.40 C ATOM 1360 CG GLU A 88 -10.542 -23.561 21.477 1.00 34.13 C ATOM 1361 CD GLU A 88 -10.746 -25.002 21.025 1.00 35.20 C ATOM 1362 OE1 GLU A 88 -9.822 -25.829 21.203 1.00 42.05 O ATOM 1363 OE2 GLU A 88 -11.823 -25.308 20.464 1.00 14.32 O ATOM 0 H GLU A 88 -9.510 -23.164 25.785 1.00 11.34 H new ATOM 0 HA GLU A 88 -10.010 -25.143 23.796 1.00 52.11 H new ATOM 0 HB2 GLU A 88 -11.866 -23.667 23.160 1.00 31.40 H new ATOM 0 HB3 GLU A 88 -10.808 -22.270 23.168 1.00 31.40 H new ATOM 0 HG2 GLU A 88 -11.180 -22.908 20.881 1.00 34.13 H new ATOM 0 HG3 GLU A 88 -9.511 -23.268 21.278 1.00 34.13 H new ATOM 1370 N ARG A 89 -7.769 -24.485 22.769 1.00 43.34 N ATOM 1371 CA ARG A 89 -6.373 -24.212 22.394 1.00 75.32 C ATOM 1372 C ARG A 89 -6.256 -23.694 20.953 1.00 62.53 C ATOM 1373 O ARG A 89 -7.090 -23.994 20.098 1.00 22.53 O ATOM 1374 CB ARG A 89 -5.510 -25.474 22.561 1.00 65.44 C ATOM 1375 CG ARG A 89 -6.078 -26.715 21.873 1.00 20.32 C ATOM 1376 CD ARG A 89 -5.054 -27.846 21.801 1.00 73.13 C ATOM 1377 NE ARG A 89 -3.990 -27.569 20.833 1.00 13.21 N ATOM 1378 CZ ARG A 89 -2.916 -28.304 20.687 1.00 43.23 C ATOM 1379 NH1 ARG A 89 -2.696 -29.321 21.460 1.00 40.42 N ATOM 1380 NH2 ARG A 89 -2.050 -28.016 19.767 1.00 63.40 N ATOM 0 H ARG A 89 -8.163 -25.325 22.344 1.00 43.34 H new ATOM 0 HA ARG A 89 -6.010 -23.433 23.064 1.00 75.32 H new ATOM 0 HB2 ARG A 89 -4.515 -25.275 22.164 1.00 65.44 H new ATOM 0 HB3 ARG A 89 -5.393 -25.683 23.624 1.00 65.44 H new ATOM 0 HG2 ARG A 89 -6.960 -27.058 22.414 1.00 20.32 H new ATOM 0 HG3 ARG A 89 -6.403 -26.455 20.866 1.00 20.32 H new ATOM 0 HD2 ARG A 89 -4.615 -27.999 22.787 1.00 73.13 H new ATOM 0 HD3 ARG A 89 -5.558 -28.773 21.529 1.00 73.13 H new ATOM 0 HE ARG A 89 -4.092 -26.750 20.234 1.00 13.21 H new ATOM 0 HH11 ARG A 89 -3.364 -29.558 22.194 1.00 40.42 H new ATOM 0 HH12 ARG A 89 -1.855 -29.884 21.335 1.00 40.42 H new ATOM 0 HH21 ARG A 89 -2.204 -27.215 19.154 1.00 63.40 H new ATOM 0 HH22 ARG A 89 -1.214 -28.590 19.656 1.00 63.40 H new ATOM 1394 N PHE A 90 -5.212 -22.908 20.694 1.00 2.21 N ATOM 1395 CA PHE A 90 -4.914 -22.435 19.337 1.00 33.24 C ATOM 1396 C PHE A 90 -3.405 -22.523 19.047 1.00 73.35 C ATOM 1397 O PHE A 90 -2.580 -21.971 19.780 1.00 3.45 O ATOM 1398 CB PHE A 90 -5.429 -20.996 19.129 1.00 35.22 C ATOM 1399 CG PHE A 90 -4.689 -19.934 19.915 1.00 72.24 C ATOM 1400 CD1 PHE A 90 -4.807 -19.857 21.296 1.00 72.50 C ATOM 1401 CD2 PHE A 90 -3.882 -19.006 19.267 1.00 34.24 C ATOM 1402 CE1 PHE A 90 -4.139 -18.881 22.011 1.00 72.22 C ATOM 1403 CE2 PHE A 90 -3.211 -18.031 19.979 1.00 23.54 C ATOM 1404 CZ PHE A 90 -3.339 -17.968 21.352 1.00 64.54 C ATOM 0 H PHE A 90 -4.556 -22.583 21.405 1.00 2.21 H new ATOM 0 HA PHE A 90 -5.434 -23.084 18.632 1.00 33.24 H new ATOM 0 HB2 PHE A 90 -5.365 -20.753 18.068 1.00 35.22 H new ATOM 0 HB3 PHE A 90 -6.484 -20.960 19.402 1.00 35.22 H new ATOM 0 HD1 PHE A 90 -5.429 -20.569 21.818 1.00 72.50 H new ATOM 0 HD2 PHE A 90 -3.778 -19.048 18.193 1.00 34.24 H new ATOM 0 HE1 PHE A 90 -4.242 -18.832 23.085 1.00 72.22 H new ATOM 0 HE2 PHE A 90 -2.586 -17.318 19.462 1.00 23.54 H new ATOM 0 HZ PHE A 90 -2.815 -17.206 21.910 1.00 64.54 H new ATOM 1414 N SER A 91 -3.043 -23.232 17.981 1.00 31.44 N ATOM 1415 CA SER A 91 -1.632 -23.404 17.613 1.00 51.34 C ATOM 1416 C SER A 91 -1.095 -22.174 16.865 1.00 25.42 C ATOM 1417 O SER A 91 -1.105 -22.123 15.633 1.00 32.11 O ATOM 1418 CB SER A 91 -1.441 -24.669 16.764 1.00 20.50 C ATOM 1419 OG SER A 91 -1.803 -25.838 17.488 1.00 45.33 O ATOM 0 H SER A 91 -3.701 -23.697 17.356 1.00 31.44 H new ATOM 0 HA SER A 91 -1.062 -23.514 18.536 1.00 51.34 H new ATOM 0 HB2 SER A 91 -2.046 -24.597 15.860 1.00 20.50 H new ATOM 0 HB3 SER A 91 -0.401 -24.743 16.447 1.00 20.50 H new ATOM 0 HG SER A 91 -1.015 -26.194 17.950 1.00 45.33 H new ATOM 1425 N TYR A 92 -0.632 -21.185 17.631 1.00 51.21 N ATOM 1426 CA TYR A 92 -0.108 -19.922 17.081 1.00 70.43 C ATOM 1427 C TYR A 92 0.963 -20.143 15.991 1.00 50.34 C ATOM 1428 O TYR A 92 1.037 -19.391 15.013 1.00 32.51 O ATOM 1429 CB TYR A 92 0.477 -19.063 18.218 1.00 42.41 C ATOM 1430 CG TYR A 92 1.634 -19.719 18.966 1.00 2.31 C ATOM 1431 CD1 TYR A 92 1.404 -20.689 19.940 1.00 43.33 C ATOM 1432 CD2 TYR A 92 2.956 -19.370 18.694 1.00 60.24 C ATOM 1433 CE1 TYR A 92 2.451 -21.288 20.617 1.00 63.10 C ATOM 1434 CE2 TYR A 92 4.007 -19.964 19.368 1.00 3.11 C ATOM 1435 CZ TYR A 92 3.751 -20.922 20.326 1.00 23.14 C ATOM 1436 OH TYR A 92 4.799 -21.520 20.993 1.00 33.42 O ATOM 0 H TYR A 92 -0.607 -21.231 18.650 1.00 51.21 H new ATOM 0 HA TYR A 92 -0.944 -19.407 16.609 1.00 70.43 H new ATOM 0 HB2 TYR A 92 0.819 -18.115 17.803 1.00 42.41 H new ATOM 0 HB3 TYR A 92 -0.316 -18.832 18.929 1.00 42.41 H new ATOM 0 HD1 TYR A 92 0.389 -20.978 20.170 1.00 43.33 H new ATOM 0 HD2 TYR A 92 3.163 -18.622 17.943 1.00 60.24 H new ATOM 0 HE1 TYR A 92 2.253 -22.038 21.369 1.00 63.10 H new ATOM 0 HE2 TYR A 92 5.024 -19.679 19.145 1.00 3.11 H new ATOM 0 HH TYR A 92 5.647 -21.150 20.669 1.00 33.42 H new ATOM 1446 N LYS A 93 1.786 -21.176 16.165 1.00 5.35 N ATOM 1447 CA LYS A 93 2.889 -21.463 15.234 1.00 3.44 C ATOM 1448 C LYS A 93 2.399 -22.019 13.885 1.00 1.33 C ATOM 1449 O LYS A 93 3.079 -21.880 12.870 1.00 2.31 O ATOM 1450 CB LYS A 93 3.881 -22.443 15.876 1.00 15.34 C ATOM 1451 CG LYS A 93 3.263 -23.777 16.292 1.00 64.14 C ATOM 1452 CD LYS A 93 4.293 -24.702 16.940 1.00 42.13 C ATOM 1453 CE LYS A 93 5.418 -25.070 15.975 1.00 73.52 C ATOM 1454 NZ LYS A 93 6.445 -25.931 16.618 1.00 44.15 N ATOM 0 H LYS A 93 1.714 -21.832 16.942 1.00 5.35 H new ATOM 0 HA LYS A 93 3.386 -20.515 15.029 1.00 3.44 H new ATOM 0 HB2 LYS A 93 4.692 -22.634 15.173 1.00 15.34 H new ATOM 0 HB3 LYS A 93 4.324 -21.971 16.753 1.00 15.34 H new ATOM 0 HG2 LYS A 93 2.446 -23.597 16.990 1.00 64.14 H new ATOM 0 HG3 LYS A 93 2.833 -24.267 15.418 1.00 64.14 H new ATOM 0 HD2 LYS A 93 4.714 -24.216 17.820 1.00 42.13 H new ATOM 0 HD3 LYS A 93 3.799 -25.611 17.284 1.00 42.13 H new ATOM 0 HE2 LYS A 93 5.000 -25.588 15.112 1.00 73.52 H new ATOM 0 HE3 LYS A 93 5.889 -24.160 15.604 1.00 73.52 H new ATOM 0 HZ1 LYS A 93 7.190 -26.157 15.928 1.00 44.15 H new ATOM 0 HZ2 LYS A 93 6.863 -25.428 17.427 1.00 44.15 H new ATOM 0 HZ3 LYS A 93 6.002 -26.811 16.950 1.00 44.15 H new