USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 938 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 84 SER OG : rot -39:sc= 0.21 USER MOD Set 1.2: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 73 GLN : amide:sc= -12.3! C(o=-21!,f=-20!) USER MOD Set 2.2: A 118 ASN : amide:sc= -8.87! C(o=-21!,f=-30!) USER MOD Set 3.1: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 14 GLN : amide:sc= -16! C(o=-28!,f=-18!) USER MOD Set 4.2: A 62 GLN : amide:sc= -11.9! C(o=-28!,f=-18!) USER MOD Set 5.1: A 7 THR OG1 : rot 180:sc= -0.669 USER MOD Set 5.2: A 8 SER OG : rot 132:sc= -2.7! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -23:sc= 0.112 USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.125) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.4 K(o=-0.4,f=-3.9!) USER MOD Single : A 43 SER OG : rot 140:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.475! K(o=-0.48!,f=-1.6) USER MOD Single : A 49 GLN : amide:sc= -1.55 K(o=-1.6,f=-0.26) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -3.32 K(o=-3.3,f=-5.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -112:sc= -0.43 (180deg=-2.79!) USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= -0.029 (180deg=-0.3) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -10.4! C(o=-10!,f=-5.3!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 180:sc=-0.00274 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 97 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00853) USER MOD Single : A 98 LYS NZ :NH3+ 159:sc= -1.14! (180deg=-2.84!) USER MOD Single : A 101 ASN : amide:sc= -0.108 K(o=-0.11,f=-2.3!) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.148! USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 112 SER OG : rot 180:sc= -0.227 USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 7 8.992 -15.181 -4.748 1.00 0.00 N ATOM 83 CA THR A 7 10.170 -14.810 -3.896 1.00 0.00 C ATOM 84 C THR A 7 10.535 -13.337 -4.183 1.00 0.00 C ATOM 85 O THR A 7 10.617 -12.973 -5.329 1.00 0.00 O ATOM 86 CB THR A 7 11.332 -15.814 -4.131 1.00 0.00 C ATOM 87 OG1 THR A 7 12.552 -15.224 -3.702 1.00 0.00 O ATOM 88 CG2 THR A 7 11.474 -16.175 -5.621 1.00 0.00 C ATOM 0 HA THR A 7 9.936 -14.881 -2.834 1.00 0.00 H new ATOM 0 HB THR A 7 11.110 -16.720 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.289 -15.854 -3.847 1.00 0.00 H new ATOM 0 HG21 THR A 7 12.296 -16.879 -5.748 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.549 -16.630 -5.975 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.677 -15.272 -6.196 1.00 0.00 H new ATOM 96 N SER A 8 10.903 -12.502 -3.205 1.00 0.00 N ATOM 97 CA SER A 8 10.850 -12.845 -1.742 1.00 0.00 C ATOM 98 C SER A 8 10.950 -11.527 -1.008 1.00 0.00 C ATOM 99 O SER A 8 12.010 -10.971 -0.817 1.00 0.00 O ATOM 100 CB SER A 8 12.013 -13.775 -1.365 1.00 0.00 C ATOM 101 OG SER A 8 11.619 -15.133 -1.516 1.00 0.00 O ATOM 0 H SER A 8 11.250 -11.560 -3.386 1.00 0.00 H new ATOM 0 HA SER A 8 9.932 -13.373 -1.483 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.876 -13.566 -1.997 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.319 -13.589 -0.336 1.00 0.00 H new ATOM 0 HG SER A 8 12.308 -15.620 -2.014 1.00 0.00 H new ATOM 107 N TRP A 9 9.851 -11.145 -0.449 1.00 0.00 N ATOM 108 CA TRP A 9 9.775 -9.999 0.430 1.00 0.00 C ATOM 109 C TRP A 9 8.288 -9.880 0.692 1.00 0.00 C ATOM 110 O TRP A 9 7.499 -9.936 -0.198 1.00 0.00 O ATOM 111 CB TRP A 9 10.439 -8.764 -0.241 1.00 0.00 C ATOM 112 CG TRP A 9 9.528 -8.330 -1.368 1.00 0.00 C ATOM 113 CD1 TRP A 9 9.142 -9.147 -2.359 1.00 0.00 C ATOM 114 CD2 TRP A 9 8.867 -7.056 -1.628 1.00 0.00 C ATOM 115 NE1 TRP A 9 8.246 -8.521 -3.180 1.00 0.00 N ATOM 116 CE2 TRP A 9 8.057 -7.205 -2.802 1.00 0.00 C ATOM 117 CE3 TRP A 9 8.877 -5.798 -0.980 1.00 0.00 C ATOM 118 CZ2 TRP A 9 7.290 -6.143 -3.298 1.00 0.00 C ATOM 119 CZ3 TRP A 9 8.107 -4.727 -1.485 1.00 0.00 C ATOM 120 CH2 TRP A 9 7.319 -4.899 -2.640 1.00 0.00 C ATOM 0 H TRP A 9 8.959 -11.620 -0.585 1.00 0.00 H new ATOM 0 HA TRP A 9 10.320 -10.087 1.370 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.571 -7.958 0.480 1.00 0.00 H new ATOM 0 HB3 TRP A 9 11.429 -9.017 -0.621 1.00 0.00 H new ATOM 0 HD1 TRP A 9 9.491 -10.161 -2.490 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.778 -8.967 -3.969 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.477 -5.656 -0.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.680 -6.278 -4.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 8.122 -3.771 -0.983 1.00 0.00 H new ATOM 0 HH2 TRP A 9 6.736 -4.074 -3.022 1.00 0.00 H new ATOM 131 N ASP A 10 7.894 -9.722 1.916 1.00 0.00 N ATOM 132 CA ASP A 10 6.440 -9.647 2.202 1.00 0.00 C ATOM 133 C ASP A 10 5.930 -8.237 1.958 1.00 0.00 C ATOM 134 O ASP A 10 6.198 -7.345 2.738 1.00 0.00 O ATOM 135 CB ASP A 10 6.181 -10.141 3.661 1.00 0.00 C ATOM 136 CG ASP A 10 4.685 -10.177 4.069 1.00 0.00 C ATOM 137 OD1 ASP A 10 3.844 -9.694 3.328 1.00 0.00 O ATOM 138 OD2 ASP A 10 4.405 -10.748 5.108 1.00 0.00 O ATOM 0 H ASP A 10 8.508 -9.642 2.727 1.00 0.00 H new ATOM 0 HA ASP A 10 5.884 -10.299 1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.600 -11.141 3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.718 -9.492 4.352 1.00 0.00 H new ATOM 143 N PHE A 11 5.150 -8.019 0.952 1.00 0.00 N ATOM 144 CA PHE A 11 4.612 -6.630 0.786 1.00 0.00 C ATOM 145 C PHE A 11 3.112 -6.771 0.464 1.00 0.00 C ATOM 146 O PHE A 11 2.626 -6.073 -0.366 1.00 0.00 O ATOM 147 CB PHE A 11 5.311 -5.929 -0.415 1.00 0.00 C ATOM 148 CG PHE A 11 5.613 -4.458 -0.158 1.00 0.00 C ATOM 149 CD1 PHE A 11 6.390 -4.039 0.950 1.00 0.00 C ATOM 150 CD2 PHE A 11 5.152 -3.493 -1.079 1.00 0.00 C ATOM 151 CE1 PHE A 11 6.699 -2.674 1.119 1.00 0.00 C ATOM 152 CE2 PHE A 11 5.454 -2.132 -0.895 1.00 0.00 C ATOM 153 CZ PHE A 11 6.229 -1.723 0.200 1.00 0.00 C ATOM 0 H PHE A 11 4.862 -8.705 0.254 1.00 0.00 H new ATOM 0 HA PHE A 11 4.784 -6.042 1.687 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.241 -6.450 -0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.676 -6.014 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.746 -4.766 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.564 -3.802 -1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.300 -2.359 1.959 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.088 -1.399 -1.599 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.464 -0.678 0.336 1.00 0.00 H new ATOM 163 N GLY A 12 2.339 -7.592 1.136 1.00 0.00 N ATOM 164 CA GLY A 12 0.882 -7.647 0.750 1.00 0.00 C ATOM 165 C GLY A 12 0.218 -6.267 0.839 1.00 0.00 C ATOM 166 O GLY A 12 -0.469 -5.823 -0.071 1.00 0.00 O ATOM 0 H GLY A 12 2.630 -8.202 1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.789 -8.030 -0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.359 -8.345 1.403 1.00 0.00 H new ATOM 170 N PRO A 13 0.478 -5.558 1.903 1.00 0.00 N ATOM 171 CA PRO A 13 -0.091 -4.211 2.126 1.00 0.00 C ATOM 172 C PRO A 13 -0.295 -3.464 0.810 1.00 0.00 C ATOM 173 O PRO A 13 -1.408 -3.294 0.350 1.00 0.00 O ATOM 174 CB PRO A 13 0.953 -3.512 3.007 1.00 0.00 C ATOM 175 CG PRO A 13 1.501 -4.595 3.876 1.00 0.00 C ATOM 176 CD PRO A 13 1.351 -5.913 3.098 1.00 0.00 C ATOM 0 HA PRO A 13 -1.077 -4.247 2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.737 -3.053 2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.502 -2.717 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.547 -4.405 4.116 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.961 -4.641 4.822 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.320 -6.298 2.780 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.887 -6.685 3.712 1.00 0.00 H new ATOM 184 N GLN A 14 0.764 -3.009 0.197 1.00 0.00 N ATOM 185 CA GLN A 14 0.590 -2.264 -1.068 1.00 0.00 C ATOM 186 C GLN A 14 -0.176 -3.132 -2.064 1.00 0.00 C ATOM 187 O GLN A 14 -0.801 -2.608 -2.939 1.00 0.00 O ATOM 188 CB GLN A 14 1.952 -1.825 -1.654 1.00 0.00 C ATOM 189 CG GLN A 14 2.403 -0.480 -1.044 1.00 0.00 C ATOM 190 CD GLN A 14 3.241 0.310 -2.052 1.00 0.00 C ATOM 191 OE1 GLN A 14 3.453 1.492 -1.886 1.00 0.00 O ATOM 192 NE2 GLN A 14 3.716 -0.301 -3.102 1.00 0.00 N ATOM 0 H GLN A 14 1.726 -3.122 0.517 1.00 0.00 H new ATOM 0 HA GLN A 14 0.019 -1.358 -0.866 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.702 -2.590 -1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.874 -1.730 -2.737 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.531 0.104 -0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.985 -0.660 -0.140 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.536 -1.296 -3.238 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.268 0.216 -3.787 1.00 0.00 H new ATOM 201 N ALA A 15 -0.153 -4.438 -1.959 1.00 0.00 N ATOM 202 CA ALA A 15 -0.903 -5.224 -2.975 1.00 0.00 C ATOM 203 C ALA A 15 -2.350 -5.281 -2.539 1.00 0.00 C ATOM 204 O ALA A 15 -3.249 -5.059 -3.325 1.00 0.00 O ATOM 205 CB ALA A 15 -0.325 -6.632 -3.162 1.00 0.00 C ATOM 0 H ALA A 15 0.334 -4.974 -1.241 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.817 -4.736 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.906 -7.167 -3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.712 -6.559 -3.489 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.370 -7.172 -2.216 1.00 0.00 H new ATOM 211 N PHE A 16 -2.602 -5.498 -1.277 1.00 0.00 N ATOM 212 CA PHE A 16 -4.005 -5.553 -0.832 1.00 0.00 C ATOM 213 C PHE A 16 -4.488 -4.121 -0.945 1.00 0.00 C ATOM 214 O PHE A 16 -5.537 -3.839 -1.446 1.00 0.00 O ATOM 215 CB PHE A 16 -4.078 -6.063 0.626 1.00 0.00 C ATOM 216 CG PHE A 16 -3.775 -7.553 0.698 1.00 0.00 C ATOM 217 CD1 PHE A 16 -4.654 -8.476 0.106 1.00 0.00 C ATOM 218 CD2 PHE A 16 -2.615 -8.008 1.360 1.00 0.00 C ATOM 219 CE1 PHE A 16 -4.375 -9.857 0.176 1.00 0.00 C ATOM 220 CE2 PHE A 16 -2.339 -9.391 1.426 1.00 0.00 C ATOM 221 CZ PHE A 16 -3.220 -10.311 0.835 1.00 0.00 C ATOM 0 H PHE A 16 -1.901 -5.637 -0.550 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.617 -6.234 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.367 -5.513 1.243 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.070 -5.870 1.033 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -5.542 -8.129 -0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.939 -7.299 1.816 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.051 -10.567 -0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.451 -9.741 1.931 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.010 -11.369 0.887 1.00 0.00 H new ATOM 231 N LYS A 17 -3.679 -3.201 -0.542 1.00 0.00 N ATOM 232 CA LYS A 17 -4.090 -1.784 -0.651 1.00 0.00 C ATOM 233 C LYS A 17 -4.375 -1.431 -2.121 1.00 0.00 C ATOM 234 O LYS A 17 -5.256 -0.642 -2.386 1.00 0.00 O ATOM 235 CB LYS A 17 -2.997 -0.898 -0.030 1.00 0.00 C ATOM 236 CG LYS A 17 -2.924 -1.040 1.515 1.00 0.00 C ATOM 237 CD LYS A 17 -1.782 -0.218 2.172 1.00 0.00 C ATOM 238 CE LYS A 17 -1.784 -0.431 3.710 1.00 0.00 C ATOM 239 NZ LYS A 17 -0.652 0.306 4.339 1.00 0.00 N ATOM 0 H LYS A 17 -2.754 -3.363 -0.143 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.014 -1.609 -0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.031 -1.161 -0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.188 0.144 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.876 -0.727 1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.792 -2.092 1.767 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.821 -0.521 1.757 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.908 0.840 1.944 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.729 -0.086 4.130 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.704 -1.494 3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.667 0.153 5.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.248 -0.042 3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.745 1.322 4.138 1.00 0.00 H new ATOM 253 N LEU A 18 -3.699 -2.004 -3.100 1.00 0.00 N ATOM 254 CA LEU A 18 -4.055 -1.639 -4.502 1.00 0.00 C ATOM 255 C LEU A 18 -5.504 -2.064 -4.687 1.00 0.00 C ATOM 256 O LEU A 18 -6.279 -1.369 -5.292 1.00 0.00 O ATOM 257 CB LEU A 18 -3.153 -2.374 -5.538 1.00 0.00 C ATOM 258 CG LEU A 18 -3.513 -2.016 -6.994 1.00 0.00 C ATOM 259 CD1 LEU A 18 -3.180 -0.546 -7.295 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.786 -2.943 -7.980 1.00 0.00 C ATOM 0 H LEU A 18 -2.945 -2.682 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.910 -0.571 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.110 -2.119 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.248 -3.451 -5.398 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.587 -2.156 -7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.443 -0.318 -8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.747 0.100 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.114 -0.377 -7.146 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.055 -2.672 -9.001 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.709 -2.840 -7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.077 -3.976 -7.790 1.00 0.00 H new ATOM 272 N LEU A 19 -5.875 -3.186 -4.142 1.00 0.00 N ATOM 273 CA LEU A 19 -7.273 -3.635 -4.290 1.00 0.00 C ATOM 274 C LEU A 19 -8.280 -2.574 -3.742 1.00 0.00 C ATOM 275 O LEU A 19 -9.217 -2.215 -4.460 1.00 0.00 O ATOM 276 CB LEU A 19 -7.430 -5.034 -3.648 1.00 0.00 C ATOM 277 CG LEU A 19 -6.372 -6.051 -4.132 1.00 0.00 C ATOM 278 CD1 LEU A 19 -6.577 -7.472 -3.529 1.00 0.00 C ATOM 279 CD2 LEU A 19 -6.479 -6.162 -5.661 1.00 0.00 C ATOM 0 H LEU A 19 -5.269 -3.806 -3.604 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.519 -3.732 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.363 -4.938 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.424 -5.420 -3.873 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.396 -5.691 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.804 -8.142 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.513 -7.419 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.558 -7.851 -3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.741 -6.876 -6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.478 -6.503 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.294 -5.186 -6.110 1.00 0.00 H new ATOM 291 N SER A 20 -8.203 -2.067 -2.505 1.00 0.00 N ATOM 292 CA SER A 20 -9.308 -1.080 -2.149 1.00 0.00 C ATOM 293 C SER A 20 -9.150 0.241 -2.955 1.00 0.00 C ATOM 294 O SER A 20 -10.090 1.029 -3.068 1.00 0.00 O ATOM 295 CB SER A 20 -9.382 -0.796 -0.638 1.00 0.00 C ATOM 296 OG SER A 20 -10.489 0.056 -0.372 1.00 0.00 O ATOM 0 H SER A 20 -7.499 -2.268 -1.794 1.00 0.00 H new ATOM 0 HA SER A 20 -10.252 -1.548 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.487 -1.730 -0.086 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.458 -0.327 -0.299 1.00 0.00 H new ATOM 0 HG SER A 20 -10.723 0.551 -1.185 1.00 0.00 H new ATOM 302 N ALA A 21 -7.997 0.527 -3.510 1.00 0.00 N ATOM 303 CA ALA A 21 -7.869 1.824 -4.254 1.00 0.00 C ATOM 304 C ALA A 21 -8.639 1.782 -5.587 1.00 0.00 C ATOM 305 O ALA A 21 -9.360 2.705 -5.905 1.00 0.00 O ATOM 306 CB ALA A 21 -6.399 2.173 -4.518 1.00 0.00 C ATOM 0 H ALA A 21 -7.162 -0.059 -3.484 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.304 2.598 -3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.341 3.118 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.871 2.265 -3.569 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.939 1.385 -5.114 1.00 0.00 H new ATOM 312 N VAL A 22 -8.518 0.733 -6.369 1.00 0.00 N ATOM 313 CA VAL A 22 -9.269 0.695 -7.673 1.00 0.00 C ATOM 314 C VAL A 22 -10.757 0.644 -7.339 1.00 0.00 C ATOM 315 O VAL A 22 -11.586 1.167 -8.047 1.00 0.00 O ATOM 316 CB VAL A 22 -8.799 -0.549 -8.498 1.00 0.00 C ATOM 317 CG1 VAL A 22 -7.294 -0.534 -8.798 1.00 0.00 C ATOM 318 CG2 VAL A 22 -9.155 -1.875 -7.777 1.00 0.00 C ATOM 0 H VAL A 22 -7.944 -0.086 -6.169 1.00 0.00 H new ATOM 0 HA VAL A 22 -9.076 1.576 -8.285 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.335 -0.489 -9.445 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.029 -1.422 -9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.047 0.358 -9.374 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.736 -0.528 -7.861 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.814 -2.718 -8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.666 -1.902 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.235 -1.938 -7.643 1.00 0.00 H new ATOM 328 N ASP A 23 -11.066 0.040 -6.250 1.00 0.00 N ATOM 329 CA ASP A 23 -12.479 -0.074 -5.816 1.00 0.00 C ATOM 330 C ASP A 23 -13.077 1.328 -5.698 1.00 0.00 C ATOM 331 O ASP A 23 -14.151 1.588 -6.204 1.00 0.00 O ATOM 332 CB ASP A 23 -12.545 -0.778 -4.458 1.00 0.00 C ATOM 333 CG ASP A 23 -13.996 -0.826 -3.976 1.00 0.00 C ATOM 334 OD1 ASP A 23 -14.882 -0.685 -4.804 1.00 0.00 O ATOM 335 OD2 ASP A 23 -14.196 -1.001 -2.784 1.00 0.00 O ATOM 0 H ASP A 23 -10.390 -0.393 -5.621 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.043 -0.655 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.145 -1.789 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.927 -0.249 -3.732 1.00 0.00 H new ATOM 340 N ILE A 24 -12.395 2.260 -5.062 1.00 0.00 N ATOM 341 CA ILE A 24 -12.994 3.632 -4.977 1.00 0.00 C ATOM 342 C ILE A 24 -13.200 4.136 -6.418 1.00 0.00 C ATOM 343 O ILE A 24 -14.218 4.699 -6.759 1.00 0.00 O ATOM 344 CB ILE A 24 -12.079 4.576 -4.135 1.00 0.00 C ATOM 345 CG1 ILE A 24 -11.790 3.937 -2.764 1.00 0.00 C ATOM 346 CG2 ILE A 24 -12.728 5.955 -3.904 1.00 0.00 C ATOM 347 CD1 ILE A 24 -13.107 3.595 -2.053 1.00 0.00 C ATOM 0 H ILE A 24 -11.486 2.137 -4.616 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.956 3.613 -4.465 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.157 4.717 -4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.193 3.035 -2.893 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.204 4.622 -2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.057 6.579 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.917 6.434 -4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -13.670 5.829 -3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.891 3.144 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.689 4.505 -1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -13.677 2.893 -2.661 1.00 0.00 H new ATOM 359 N LEU A 25 -12.233 3.887 -7.263 1.00 0.00 N ATOM 360 CA LEU A 25 -12.328 4.295 -8.697 1.00 0.00 C ATOM 361 C LEU A 25 -13.257 3.306 -9.386 1.00 0.00 C ATOM 362 O LEU A 25 -13.539 3.406 -10.561 1.00 0.00 O ATOM 363 CB LEU A 25 -10.921 4.259 -9.321 1.00 0.00 C ATOM 364 CG LEU A 25 -10.026 5.343 -8.679 1.00 0.00 C ATOM 365 CD1 LEU A 25 -8.564 5.135 -9.084 1.00 0.00 C ATOM 366 CD2 LEU A 25 -10.480 6.736 -9.143 1.00 0.00 C ATOM 0 H LEU A 25 -11.366 3.410 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.720 5.306 -8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.475 3.275 -9.175 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.988 4.422 -10.397 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.115 5.267 -7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.946 5.906 -8.624 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.229 4.154 -8.748 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.475 5.197 -10.169 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.845 7.496 -8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.402 6.801 -10.228 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.515 6.900 -8.843 1.00 0.00 H new ATOM 378 N GLY A 26 -13.729 2.336 -8.634 1.00 0.00 N ATOM 379 CA GLY A 26 -14.648 1.303 -9.191 1.00 0.00 C ATOM 380 C GLY A 26 -13.975 0.580 -10.362 1.00 0.00 C ATOM 381 O GLY A 26 -14.634 0.139 -11.273 1.00 0.00 O ATOM 0 H GLY A 26 -13.510 2.220 -7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.915 0.586 -8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.574 1.771 -9.525 1.00 0.00 H new ATOM 385 N GLU A 27 -12.664 0.465 -10.307 1.00 0.00 N ATOM 386 CA GLU A 27 -11.858 -0.223 -11.383 1.00 0.00 C ATOM 387 C GLU A 27 -12.073 0.394 -12.790 1.00 0.00 C ATOM 388 O GLU A 27 -11.530 -0.108 -13.753 1.00 0.00 O ATOM 389 CB GLU A 27 -12.195 -1.725 -11.484 1.00 0.00 C ATOM 390 CG GLU A 27 -11.768 -2.522 -10.227 1.00 0.00 C ATOM 391 CD GLU A 27 -12.135 -4.003 -10.400 1.00 0.00 C ATOM 392 OE1 GLU A 27 -12.565 -4.373 -11.483 1.00 0.00 O ATOM 393 OE2 GLU A 27 -11.975 -4.742 -9.445 1.00 0.00 O ATOM 0 H GLU A 27 -12.101 0.830 -9.539 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.820 -0.083 -11.080 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.268 -1.842 -11.636 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.701 -2.145 -12.360 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.694 -2.420 -10.068 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.261 -2.117 -9.343 1.00 0.00 H new ATOM 400 N LYS A 28 -12.817 1.471 -12.954 1.00 0.00 N ATOM 401 CA LYS A 28 -12.971 2.029 -14.354 1.00 0.00 C ATOM 402 C LYS A 28 -11.653 2.698 -14.757 1.00 0.00 C ATOM 403 O LYS A 28 -11.550 3.448 -15.703 1.00 0.00 O ATOM 404 CB LYS A 28 -14.190 3.001 -14.437 1.00 0.00 C ATOM 405 CG LYS A 28 -15.540 2.344 -14.052 1.00 0.00 C ATOM 406 CD LYS A 28 -16.022 1.316 -15.128 1.00 0.00 C ATOM 407 CE LYS A 28 -17.355 0.683 -14.707 1.00 0.00 C ATOM 408 NZ LYS A 28 -18.444 1.699 -14.805 1.00 0.00 N ATOM 0 H LYS A 28 -13.308 1.974 -12.215 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.182 1.226 -15.060 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.010 3.852 -13.780 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.263 3.392 -15.452 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.437 1.840 -13.091 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.297 3.118 -13.926 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.137 1.815 -16.090 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.269 0.539 -15.260 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.582 -0.171 -15.346 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.285 0.308 -13.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.367 1.228 -14.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.339 2.396 -14.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.386 2.182 -15.724 1.00 0.00 H new ATOM 422 N PHE A 29 -10.607 2.398 -14.070 1.00 0.00 N ATOM 423 CA PHE A 29 -9.307 3.019 -14.448 1.00 0.00 C ATOM 424 C PHE A 29 -8.214 1.955 -14.461 1.00 0.00 C ATOM 425 O PHE A 29 -8.248 0.979 -13.725 1.00 0.00 O ATOM 426 CB PHE A 29 -8.937 4.108 -13.453 1.00 0.00 C ATOM 427 CG PHE A 29 -9.870 5.270 -13.641 1.00 0.00 C ATOM 428 CD1 PHE A 29 -11.175 5.204 -13.148 1.00 0.00 C ATOM 429 CD2 PHE A 29 -9.424 6.411 -14.306 1.00 0.00 C ATOM 430 CE1 PHE A 29 -12.045 6.288 -13.333 1.00 0.00 C ATOM 431 CE2 PHE A 29 -10.294 7.502 -14.494 1.00 0.00 C ATOM 432 CZ PHE A 29 -11.609 7.437 -14.010 1.00 0.00 C ATOM 0 H PHE A 29 -10.582 1.761 -13.273 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.403 3.459 -15.441 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.007 3.728 -12.434 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.905 4.424 -13.605 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -11.513 4.321 -12.626 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.411 6.458 -14.677 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.055 6.238 -12.953 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.950 8.386 -15.009 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.283 8.268 -14.158 1.00 0.00 H new ATOM 442 N GLY A 30 -7.253 2.172 -15.325 1.00 0.00 N ATOM 443 CA GLY A 30 -6.098 1.250 -15.490 1.00 0.00 C ATOM 444 C GLY A 30 -4.911 1.753 -14.645 1.00 0.00 C ATOM 445 O GLY A 30 -5.050 2.624 -13.809 1.00 0.00 O ATOM 0 H GLY A 30 -7.226 2.983 -15.943 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.377 0.243 -15.181 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.812 1.193 -16.540 1.00 0.00 H new ATOM 449 N ILE A 31 -3.751 1.182 -14.858 1.00 0.00 N ATOM 450 CA ILE A 31 -2.521 1.585 -14.076 1.00 0.00 C ATOM 451 C ILE A 31 -2.297 3.118 -14.065 1.00 0.00 C ATOM 452 O ILE A 31 -1.751 3.686 -13.112 1.00 0.00 O ATOM 453 CB ILE A 31 -1.305 0.904 -14.713 1.00 0.00 C ATOM 454 CG1 ILE A 31 -0.068 1.180 -13.850 1.00 0.00 C ATOM 455 CG2 ILE A 31 -1.085 1.464 -16.121 1.00 0.00 C ATOM 456 CD1 ILE A 31 1.112 0.334 -14.338 1.00 0.00 C ATOM 0 H ILE A 31 -3.594 0.445 -15.546 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.660 1.273 -13.041 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.475 -0.171 -14.777 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.189 2.238 -13.897 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.284 0.950 -12.807 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.220 0.980 -16.574 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.968 1.273 -16.730 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.910 2.538 -16.062 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.986 0.537 -13.719 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.855 -0.723 -14.268 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.336 0.585 -15.375 1.00 0.00 H new ATOM 468 N GLY A 32 -2.661 3.768 -15.137 1.00 0.00 N ATOM 469 CA GLY A 32 -2.452 5.250 -15.275 1.00 0.00 C ATOM 470 C GLY A 32 -2.603 6.025 -13.956 1.00 0.00 C ATOM 471 O GLY A 32 -1.625 6.364 -13.317 1.00 0.00 O ATOM 0 H GLY A 32 -3.105 3.330 -15.944 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.456 5.431 -15.679 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.166 5.642 -15.999 1.00 0.00 H new ATOM 475 N LEU A 33 -3.809 6.366 -13.569 1.00 0.00 N ATOM 476 CA LEU A 33 -3.993 7.181 -12.325 1.00 0.00 C ATOM 477 C LEU A 33 -3.387 6.460 -11.093 1.00 0.00 C ATOM 478 O LEU A 33 -2.669 7.078 -10.337 1.00 0.00 O ATOM 479 CB LEU A 33 -5.496 7.501 -12.114 1.00 0.00 C ATOM 480 CG LEU A 33 -5.768 8.023 -10.677 1.00 0.00 C ATOM 481 CD1 LEU A 33 -4.953 9.303 -10.413 1.00 0.00 C ATOM 482 CD2 LEU A 33 -7.263 8.339 -10.549 1.00 0.00 C ATOM 0 H LEU A 33 -4.669 6.117 -14.057 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.458 8.123 -12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.816 8.248 -12.841 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.089 6.605 -12.296 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.475 7.264 -9.951 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.152 9.659 -9.402 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.890 9.086 -10.518 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.239 10.071 -11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.472 8.707 -9.545 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.538 9.100 -11.279 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.843 7.434 -10.732 1.00 0.00 H new ATOM 494 N PRO A 34 -3.648 5.189 -10.865 1.00 0.00 N ATOM 495 CA PRO A 34 -3.086 4.450 -9.684 1.00 0.00 C ATOM 496 C PRO A 34 -1.639 4.843 -9.329 1.00 0.00 C ATOM 497 O PRO A 34 -1.366 5.232 -8.213 1.00 0.00 O ATOM 498 CB PRO A 34 -3.147 3.000 -10.153 1.00 0.00 C ATOM 499 CG PRO A 34 -4.389 2.944 -10.982 1.00 0.00 C ATOM 500 CD PRO A 34 -4.508 4.310 -11.681 1.00 0.00 C ATOM 0 HA PRO A 34 -3.641 4.665 -8.771 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.266 2.731 -10.735 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.197 2.309 -9.311 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.332 2.138 -11.713 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.263 2.749 -10.360 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.168 4.263 -12.715 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.539 4.663 -11.701 1.00 0.00 H new ATOM 508 N ILE A 35 -0.701 4.786 -10.235 1.00 0.00 N ATOM 509 CA ILE A 35 0.697 5.208 -9.835 1.00 0.00 C ATOM 510 C ILE A 35 0.657 6.703 -9.454 1.00 0.00 C ATOM 511 O ILE A 35 1.191 7.104 -8.441 1.00 0.00 O ATOM 512 CB ILE A 35 1.635 4.945 -11.005 1.00 0.00 C ATOM 513 CG1 ILE A 35 3.097 4.944 -10.539 1.00 0.00 C ATOM 514 CG2 ILE A 35 1.426 5.980 -12.113 1.00 0.00 C ATOM 515 CD1 ILE A 35 4.019 4.418 -11.656 1.00 0.00 C ATOM 0 H ILE A 35 -0.820 4.480 -11.201 1.00 0.00 H new ATOM 0 HA ILE A 35 1.061 4.643 -8.977 1.00 0.00 H new ATOM 0 HB ILE A 35 1.403 3.960 -11.409 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.396 5.954 -10.258 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.201 4.322 -9.650 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.107 5.772 -12.938 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.397 5.929 -12.470 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.625 6.978 -11.721 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.052 4.424 -11.308 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.730 3.400 -11.917 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.928 5.057 -12.534 1.00 0.00 H new ATOM 527 N LEU A 36 -0.018 7.513 -10.235 1.00 0.00 N ATOM 528 CA LEU A 36 -0.146 8.966 -9.892 1.00 0.00 C ATOM 529 C LEU A 36 -0.881 9.150 -8.544 1.00 0.00 C ATOM 530 O LEU A 36 -0.489 9.970 -7.723 1.00 0.00 O ATOM 531 CB LEU A 36 -0.914 9.711 -10.994 1.00 0.00 C ATOM 532 CG LEU A 36 -0.092 9.743 -12.290 1.00 0.00 C ATOM 533 CD1 LEU A 36 -0.969 10.245 -13.449 1.00 0.00 C ATOM 534 CD2 LEU A 36 1.111 10.682 -12.123 1.00 0.00 C ATOM 0 H LEU A 36 -0.486 7.230 -11.096 1.00 0.00 H new ATOM 0 HA LEU A 36 0.859 9.379 -9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.871 9.221 -11.175 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.133 10.728 -10.669 1.00 0.00 H new ATOM 0 HG LEU A 36 0.262 8.736 -12.509 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.382 10.266 -14.367 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.820 9.576 -13.578 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.328 11.249 -13.225 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.690 10.700 -13.047 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.758 11.688 -11.896 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.740 10.326 -11.307 1.00 0.00 H new ATOM 546 N PHE A 37 -1.950 8.410 -8.309 1.00 0.00 N ATOM 547 CA PHE A 37 -2.691 8.538 -7.005 1.00 0.00 C ATOM 548 C PHE A 37 -2.012 7.637 -5.984 1.00 0.00 C ATOM 549 O PHE A 37 -2.216 8.363 -5.019 1.00 0.00 O ATOM 550 CB PHE A 37 -4.148 7.986 -7.124 1.00 0.00 C ATOM 551 CG PHE A 37 -5.041 8.245 -5.926 1.00 0.00 C ATOM 552 CD1 PHE A 37 -5.020 7.348 -4.832 1.00 0.00 C ATOM 553 CD2 PHE A 37 -5.974 9.288 -5.944 1.00 0.00 C ATOM 554 CE1 PHE A 37 -5.912 7.515 -3.763 1.00 0.00 C ATOM 555 CE2 PHE A 37 -6.889 9.447 -4.887 1.00 0.00 C ATOM 556 CZ PHE A 37 -6.856 8.560 -3.793 1.00 0.00 C ATOM 0 H PHE A 37 -2.338 7.728 -8.961 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.697 9.592 -6.727 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.614 8.426 -8.005 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.098 6.910 -7.293 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.314 6.531 -4.820 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.992 9.976 -6.776 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.875 6.843 -2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.614 10.247 -4.914 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.554 8.681 -2.978 1.00 0.00 H new ATOM 566 N LEU A 38 -1.391 6.526 -5.871 1.00 0.00 N ATOM 567 CA LEU A 38 -0.917 6.077 -4.609 1.00 0.00 C ATOM 568 C LEU A 38 0.122 7.073 -4.076 1.00 0.00 C ATOM 569 O LEU A 38 0.148 7.308 -2.900 1.00 0.00 O ATOM 570 CB LEU A 38 -0.402 4.665 -4.904 1.00 0.00 C ATOM 571 CG LEU A 38 -1.611 3.772 -5.391 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.117 2.408 -5.947 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.610 3.516 -4.234 1.00 0.00 C ATOM 0 H LEU A 38 -1.194 5.897 -6.649 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.657 6.030 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.374 4.699 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.049 4.234 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.113 4.319 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.973 1.817 -6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.450 2.580 -6.792 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.581 1.869 -5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.433 2.899 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.100 3.001 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.000 4.468 -3.873 1.00 0.00 H new ATOM 585 N ARG A 39 0.951 7.675 -4.894 1.00 0.00 N ATOM 586 CA ARG A 39 1.980 8.636 -4.369 1.00 0.00 C ATOM 587 C ARG A 39 1.395 9.985 -3.847 1.00 0.00 C ATOM 588 O ARG A 39 2.114 10.788 -3.296 1.00 0.00 O ATOM 589 CB ARG A 39 2.980 8.934 -5.499 1.00 0.00 C ATOM 590 CG ARG A 39 3.643 7.636 -5.991 1.00 0.00 C ATOM 591 CD ARG A 39 4.830 7.951 -6.911 1.00 0.00 C ATOM 592 NE ARG A 39 5.978 8.410 -6.081 1.00 0.00 N ATOM 593 CZ ARG A 39 7.188 8.366 -6.560 1.00 0.00 C ATOM 594 NH1 ARG A 39 7.392 7.899 -7.763 1.00 0.00 N ATOM 595 NH2 ARG A 39 8.193 8.779 -5.839 1.00 0.00 N ATOM 0 H ARG A 39 0.962 7.544 -5.905 1.00 0.00 H new ATOM 0 HA ARG A 39 2.449 8.156 -3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.467 9.423 -6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.743 9.626 -5.144 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.983 7.049 -5.138 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.913 7.028 -6.526 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.109 7.066 -7.482 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.554 8.721 -7.631 1.00 0.00 H new ATOM 0 HE ARG A 39 5.816 8.759 -5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.605 7.571 -8.323 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.338 7.863 -8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.032 9.137 -4.898 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.140 8.744 -6.216 1.00 0.00 H new ATOM 609 N GLY A 40 0.109 10.211 -3.947 1.00 0.00 N ATOM 610 CA GLY A 40 -0.491 11.479 -3.421 1.00 0.00 C ATOM 611 C GLY A 40 0.006 12.642 -4.242 1.00 0.00 C ATOM 612 O GLY A 40 0.755 13.471 -3.778 1.00 0.00 O ATOM 0 H GLY A 40 -0.557 9.567 -4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.579 11.426 -3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.221 11.616 -2.374 1.00 0.00 H new ATOM 616 N SER A 41 -0.409 12.702 -5.477 1.00 0.00 N ATOM 617 CA SER A 41 0.050 13.831 -6.371 1.00 0.00 C ATOM 618 C SER A 41 -0.463 15.232 -5.917 1.00 0.00 C ATOM 619 O SER A 41 -1.371 15.366 -5.092 1.00 0.00 O ATOM 620 CB SER A 41 -0.179 13.538 -7.838 1.00 0.00 C ATOM 621 OG SER A 41 -1.532 13.156 -8.032 1.00 0.00 O ATOM 0 H SER A 41 -1.040 12.030 -5.913 1.00 0.00 H new ATOM 0 HA SER A 41 1.132 13.889 -6.251 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.052 14.419 -8.437 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.487 12.742 -8.171 1.00 0.00 H new ATOM 0 HG SER A 41 -1.686 12.967 -8.981 1.00 0.00 H new ATOM 627 N ASN A 42 0.130 16.273 -6.446 1.00 0.00 N ATOM 628 CA ASN A 42 -0.295 17.677 -6.107 1.00 0.00 C ATOM 629 C ASN A 42 -1.578 17.905 -6.912 1.00 0.00 C ATOM 630 O ASN A 42 -1.563 18.142 -8.102 1.00 0.00 O ATOM 631 CB ASN A 42 0.739 18.741 -6.483 1.00 0.00 C ATOM 632 CG ASN A 42 0.229 20.118 -6.038 1.00 0.00 C ATOM 633 OD1 ASN A 42 -0.858 20.229 -5.505 1.00 0.00 O ATOM 634 ND2 ASN A 42 0.976 21.171 -6.219 1.00 0.00 N ATOM 0 H ASN A 42 0.903 16.214 -7.109 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.425 17.773 -5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.694 18.522 -6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.911 18.734 -7.559 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.648 22.087 -5.913 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.888 21.078 -6.666 1.00 0.00 H new ATOM 641 N SER A 43 -2.693 17.829 -6.223 1.00 0.00 N ATOM 642 CA SER A 43 -4.035 18.026 -6.852 1.00 0.00 C ATOM 643 C SER A 43 -5.098 18.295 -5.785 1.00 0.00 C ATOM 644 O SER A 43 -5.603 17.397 -5.155 1.00 0.00 O ATOM 645 CB SER A 43 -4.415 16.771 -7.637 1.00 0.00 C ATOM 646 OG SER A 43 -5.759 16.889 -8.076 1.00 0.00 O ATOM 0 H SER A 43 -2.726 17.633 -5.223 1.00 0.00 H new ATOM 0 HA SER A 43 -3.984 18.885 -7.520 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.750 16.646 -8.491 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.300 15.886 -7.011 1.00 0.00 H new ATOM 0 HG SER A 43 -5.837 16.540 -8.988 1.00 0.00 H new ATOM 652 N GLN A 44 -5.423 19.541 -5.559 1.00 0.00 N ATOM 653 CA GLN A 44 -6.441 19.872 -4.521 1.00 0.00 C ATOM 654 C GLN A 44 -7.844 19.377 -4.926 1.00 0.00 C ATOM 655 O GLN A 44 -8.614 18.951 -4.089 1.00 0.00 O ATOM 656 CB GLN A 44 -6.483 21.390 -4.329 1.00 0.00 C ATOM 657 CG GLN A 44 -7.362 21.728 -3.122 1.00 0.00 C ATOM 658 CD GLN A 44 -6.674 21.259 -1.839 1.00 0.00 C ATOM 659 OE1 GLN A 44 -5.612 21.738 -1.499 1.00 0.00 O ATOM 660 NE2 GLN A 44 -7.237 20.334 -1.111 1.00 0.00 N ATOM 0 H GLN A 44 -5.027 20.343 -6.049 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.158 19.373 -3.594 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.475 21.776 -4.178 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.877 21.870 -5.225 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.541 22.802 -3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.335 21.247 -3.222 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.130 19.932 -1.398 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.785 20.013 -0.255 1.00 0.00 H new ATOM 669 N ARG A 45 -8.202 19.465 -6.181 1.00 0.00 N ATOM 670 CA ARG A 45 -9.575 19.026 -6.604 1.00 0.00 C ATOM 671 C ARG A 45 -9.803 17.533 -6.323 1.00 0.00 C ATOM 672 O ARG A 45 -10.863 17.128 -5.868 1.00 0.00 O ATOM 673 CB ARG A 45 -9.735 19.285 -8.111 1.00 0.00 C ATOM 674 CG ARG A 45 -11.169 18.945 -8.563 1.00 0.00 C ATOM 675 CD ARG A 45 -11.331 19.203 -10.069 1.00 0.00 C ATOM 676 NE ARG A 45 -12.758 18.994 -10.460 1.00 0.00 N ATOM 677 CZ ARG A 45 -13.196 17.794 -10.724 1.00 0.00 C ATOM 678 NH1 ARG A 45 -12.394 16.768 -10.657 1.00 0.00 N ATOM 679 NH2 ARG A 45 -14.448 17.622 -11.059 1.00 0.00 N ATOM 0 H ARG A 45 -7.609 19.820 -6.932 1.00 0.00 H new ATOM 0 HA ARG A 45 -10.309 19.593 -6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.514 20.329 -8.333 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.018 18.682 -8.669 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.389 17.901 -8.341 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -11.886 19.548 -8.005 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.022 20.220 -10.310 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.686 18.531 -10.635 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.391 19.792 -10.521 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.417 16.901 -10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.744 15.833 -10.865 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.076 18.424 -11.113 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.796 16.686 -11.267 1.00 0.00 H new ATOM 693 N LEU A 46 -8.831 16.706 -6.596 1.00 0.00 N ATOM 694 CA LEU A 46 -9.017 15.241 -6.366 1.00 0.00 C ATOM 695 C LEU A 46 -8.602 14.911 -4.930 1.00 0.00 C ATOM 696 O LEU A 46 -8.793 13.809 -4.445 1.00 0.00 O ATOM 697 CB LEU A 46 -8.134 14.469 -7.362 1.00 0.00 C ATOM 698 CG LEU A 46 -8.557 14.750 -8.817 1.00 0.00 C ATOM 699 CD1 LEU A 46 -7.532 14.129 -9.768 1.00 0.00 C ATOM 700 CD2 LEU A 46 -9.934 14.143 -9.107 1.00 0.00 C ATOM 0 H LEU A 46 -7.920 16.977 -6.966 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.059 14.958 -6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.091 14.753 -7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.203 13.400 -7.161 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.607 15.829 -8.963 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.827 14.325 -10.799 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.551 14.566 -9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.487 13.053 -9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.214 14.353 -10.139 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.896 13.065 -8.953 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.673 14.579 -8.435 1.00 0.00 H new ATOM 712 N ALA A 47 -8.056 15.863 -4.228 1.00 0.00 N ATOM 713 CA ALA A 47 -7.670 15.580 -2.829 1.00 0.00 C ATOM 714 C ALA A 47 -8.844 15.916 -1.915 1.00 0.00 C ATOM 715 O ALA A 47 -8.900 15.446 -0.820 1.00 0.00 O ATOM 716 CB ALA A 47 -6.433 16.397 -2.436 1.00 0.00 C ATOM 0 H ALA A 47 -7.865 16.808 -4.560 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.419 14.524 -2.728 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -6.164 16.176 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.602 16.137 -3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.653 17.460 -2.534 1.00 0.00 H new ATOM 722 N ASP A 48 -9.792 16.716 -2.352 1.00 0.00 N ATOM 723 CA ASP A 48 -10.955 17.042 -1.461 1.00 0.00 C ATOM 724 C ASP A 48 -12.088 16.051 -1.740 1.00 0.00 C ATOM 725 O ASP A 48 -12.774 15.596 -0.847 1.00 0.00 O ATOM 726 CB ASP A 48 -11.444 18.466 -1.723 1.00 0.00 C ATOM 727 CG ASP A 48 -10.256 19.431 -1.696 1.00 0.00 C ATOM 728 OD1 ASP A 48 -9.132 18.955 -1.710 1.00 0.00 O ATOM 729 OD2 ASP A 48 -10.490 20.628 -1.662 1.00 0.00 O ATOM 0 H ASP A 48 -9.811 17.152 -3.274 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.641 16.968 -0.420 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.945 18.517 -2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.177 18.754 -0.969 1.00 0.00 H new ATOM 734 N GLN A 49 -12.262 15.698 -2.984 1.00 0.00 N ATOM 735 CA GLN A 49 -13.342 14.726 -3.345 1.00 0.00 C ATOM 736 C GLN A 49 -12.966 13.324 -2.830 1.00 0.00 C ATOM 737 O GLN A 49 -13.745 12.665 -2.172 1.00 0.00 O ATOM 738 CB GLN A 49 -13.501 14.680 -4.867 1.00 0.00 C ATOM 739 CG GLN A 49 -14.016 16.030 -5.361 1.00 0.00 C ATOM 740 CD GLN A 49 -14.110 16.016 -6.888 1.00 0.00 C ATOM 741 OE1 GLN A 49 -14.602 15.070 -7.468 1.00 0.00 O ATOM 742 NE2 GLN A 49 -13.657 17.035 -7.567 1.00 0.00 N ATOM 0 H GLN A 49 -11.705 16.038 -3.768 1.00 0.00 H new ATOM 0 HA GLN A 49 -14.280 15.043 -2.889 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -12.545 14.448 -5.337 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.195 13.888 -5.148 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.995 16.238 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.348 16.827 -5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.244 17.830 -7.079 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.716 17.036 -8.585 1.00 0.00 H new ATOM 751 N TYR A 50 -11.776 12.870 -3.131 1.00 0.00 N ATOM 752 CA TYR A 50 -11.334 11.505 -2.683 1.00 0.00 C ATOM 753 C TYR A 50 -10.591 11.616 -1.344 1.00 0.00 C ATOM 754 O TYR A 50 -9.695 10.860 -1.042 1.00 0.00 O ATOM 755 CB TYR A 50 -10.423 10.909 -3.752 1.00 0.00 C ATOM 756 CG TYR A 50 -11.253 10.647 -4.986 1.00 0.00 C ATOM 757 CD1 TYR A 50 -12.094 9.519 -5.040 1.00 0.00 C ATOM 758 CD2 TYR A 50 -11.204 11.536 -6.074 1.00 0.00 C ATOM 759 CE1 TYR A 50 -12.882 9.279 -6.179 1.00 0.00 C ATOM 760 CE2 TYR A 50 -11.997 11.300 -7.215 1.00 0.00 C ATOM 761 CZ TYR A 50 -12.833 10.171 -7.264 1.00 0.00 C ATOM 762 OH TYR A 50 -13.610 9.936 -8.384 1.00 0.00 O ATOM 0 H TYR A 50 -11.083 13.387 -3.672 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.199 10.857 -2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.607 11.594 -3.981 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.971 9.984 -3.394 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.134 8.836 -4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.558 12.401 -6.035 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -13.524 8.411 -6.220 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -11.962 11.985 -8.049 1.00 0.00 H new ATOM 0 HH TYR A 50 -13.460 10.647 -9.041 1.00 0.00 H new ATOM 772 N ARG A 51 -10.966 12.592 -0.574 1.00 0.00 N ATOM 773 CA ARG A 51 -10.346 12.875 0.758 1.00 0.00 C ATOM 774 C ARG A 51 -10.497 11.702 1.734 1.00 0.00 C ATOM 775 O ARG A 51 -9.599 11.448 2.514 1.00 0.00 O ATOM 776 CB ARG A 51 -11.029 14.136 1.371 1.00 0.00 C ATOM 777 CG ARG A 51 -12.483 13.839 1.759 1.00 0.00 C ATOM 778 CD ARG A 51 -13.150 15.122 2.273 1.00 0.00 C ATOM 779 NE ARG A 51 -14.545 14.823 2.700 1.00 0.00 N ATOM 780 CZ ARG A 51 -15.316 15.782 3.134 1.00 0.00 C ATOM 781 NH1 ARG A 51 -14.867 17.003 3.183 1.00 0.00 N ATOM 782 NH2 ARG A 51 -16.534 15.514 3.519 1.00 0.00 N ATOM 0 H ARG A 51 -11.714 13.240 -0.822 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.280 13.038 0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.474 14.464 2.250 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.001 14.955 0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.028 13.453 0.898 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.515 13.067 2.528 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.582 15.529 3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.153 15.881 1.491 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.898 13.867 2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.914 17.208 2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.468 17.754 3.522 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.882 14.556 3.480 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.138 16.263 3.859 1.00 0.00 H new ATOM 796 N ARG A 52 -11.605 11.014 1.775 1.00 0.00 N ATOM 797 CA ARG A 52 -11.679 9.905 2.759 1.00 0.00 C ATOM 798 C ARG A 52 -10.633 8.857 2.424 1.00 0.00 C ATOM 799 O ARG A 52 -10.096 8.196 3.292 1.00 0.00 O ATOM 800 CB ARG A 52 -13.075 9.273 2.708 1.00 0.00 C ATOM 801 CG ARG A 52 -14.139 10.283 3.174 1.00 0.00 C ATOM 802 CD ARG A 52 -14.199 10.323 4.706 1.00 0.00 C ATOM 803 NE ARG A 52 -15.197 11.342 5.137 1.00 0.00 N ATOM 804 CZ ARG A 52 -15.236 11.727 6.382 1.00 0.00 C ATOM 805 NH1 ARG A 52 -14.410 11.211 7.250 1.00 0.00 N ATOM 806 NH2 ARG A 52 -16.107 12.625 6.762 1.00 0.00 N ATOM 0 H ARG A 52 -12.430 11.164 1.194 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.492 10.293 3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.296 8.945 1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -13.103 8.387 3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.904 11.274 2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -15.114 10.006 2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -14.473 9.343 5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.217 10.565 5.113 1.00 0.00 H new ATOM 0 HE ARG A 52 -15.849 11.738 4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.734 10.507 6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.440 11.512 8.224 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.756 13.025 6.084 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.137 12.926 7.736 1.00 0.00 H new ATOM 820 N HIS A 53 -10.358 8.690 1.164 1.00 0.00 N ATOM 821 CA HIS A 53 -9.366 7.673 0.721 1.00 0.00 C ATOM 822 C HIS A 53 -8.116 7.648 1.606 1.00 0.00 C ATOM 823 O HIS A 53 -7.179 8.390 1.390 1.00 0.00 O ATOM 824 CB HIS A 53 -8.981 8.035 -0.682 1.00 0.00 C ATOM 825 CG HIS A 53 -8.501 6.798 -1.394 1.00 0.00 C ATOM 826 ND1 HIS A 53 -8.824 6.542 -2.720 1.00 0.00 N ATOM 827 CD2 HIS A 53 -7.743 5.733 -0.981 1.00 0.00 C ATOM 828 CE1 HIS A 53 -8.265 5.365 -3.052 1.00 0.00 C ATOM 829 NE2 HIS A 53 -7.598 4.833 -2.028 1.00 0.00 N ATOM 0 H HIS A 53 -10.786 9.224 0.408 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.810 6.680 0.787 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -9.834 8.465 -1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -8.197 8.793 -0.674 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -9.383 7.138 -3.331 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.323 5.613 0.007 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -8.346 4.908 -4.027 1.00 0.00 H new ATOM 838 N SER A 54 -8.077 6.785 2.586 1.00 0.00 N ATOM 839 CA SER A 54 -6.876 6.709 3.470 1.00 0.00 C ATOM 840 C SER A 54 -5.615 6.315 2.667 1.00 0.00 C ATOM 841 O SER A 54 -4.547 6.847 2.880 1.00 0.00 O ATOM 842 CB SER A 54 -7.120 5.663 4.558 1.00 0.00 C ATOM 843 OG SER A 54 -5.885 5.344 5.189 1.00 0.00 O ATOM 0 H SER A 54 -8.824 6.129 2.813 1.00 0.00 H new ATOM 0 HA SER A 54 -6.712 7.692 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.829 6.044 5.293 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.562 4.766 4.124 1.00 0.00 H new ATOM 0 HG SER A 54 -6.038 4.675 5.888 1.00 0.00 H new ATOM 849 N LEU A 55 -5.723 5.363 1.772 1.00 0.00 N ATOM 850 CA LEU A 55 -4.526 4.911 0.980 1.00 0.00 C ATOM 851 C LEU A 55 -3.927 6.090 0.176 1.00 0.00 C ATOM 852 O LEU A 55 -2.830 6.001 -0.406 1.00 0.00 O ATOM 853 CB LEU A 55 -4.946 3.850 -0.093 1.00 0.00 C ATOM 854 CG LEU A 55 -5.751 2.632 0.455 1.00 0.00 C ATOM 855 CD1 LEU A 55 -6.015 1.614 -0.669 1.00 0.00 C ATOM 856 CD2 LEU A 55 -4.972 1.948 1.580 1.00 0.00 C ATOM 0 H LEU A 55 -6.591 4.875 1.552 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.812 4.505 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.545 4.347 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.047 3.479 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.703 2.997 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.578 0.770 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.589 2.090 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.065 1.260 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.544 1.099 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.013 1.599 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.804 2.658 2.390 1.00 0.00 H new ATOM 868 N PHE A 56 -4.612 7.187 0.048 1.00 0.00 N ATOM 869 CA PHE A 56 -3.991 8.226 -0.763 1.00 0.00 C ATOM 870 C PHE A 56 -2.617 8.587 -0.184 1.00 0.00 C ATOM 871 O PHE A 56 -2.507 8.895 0.975 1.00 0.00 O ATOM 872 CB PHE A 56 -4.977 9.365 -0.730 1.00 0.00 C ATOM 873 CG PHE A 56 -4.359 10.680 -1.216 1.00 0.00 C ATOM 874 CD1 PHE A 56 -3.448 11.416 -0.414 1.00 0.00 C ATOM 875 CD2 PHE A 56 -4.655 11.153 -2.520 1.00 0.00 C ATOM 876 CE1 PHE A 56 -2.866 12.589 -0.918 1.00 0.00 C ATOM 877 CE2 PHE A 56 -4.052 12.314 -3.009 1.00 0.00 C ATOM 878 CZ PHE A 56 -3.168 13.030 -2.209 1.00 0.00 C ATOM 0 H PHE A 56 -5.526 7.392 0.451 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.792 7.927 -1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.836 9.117 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.347 9.494 0.287 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.204 11.074 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.353 10.610 -3.140 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.180 13.154 -0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.272 12.656 -4.009 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.712 13.933 -2.588 1.00 0.00 H new ATOM 888 N GLY A 57 -1.628 8.630 -1.017 1.00 0.00 N ATOM 889 CA GLY A 57 -0.208 9.019 -0.665 1.00 0.00 C ATOM 890 C GLY A 57 0.651 8.037 0.154 1.00 0.00 C ATOM 891 O GLY A 57 1.629 8.488 0.762 1.00 0.00 O ATOM 0 H GLY A 57 -1.739 8.397 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.320 9.220 -1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.251 9.959 -0.114 1.00 0.00 H new ATOM 895 N THR A 58 0.405 6.751 0.247 1.00 0.00 N ATOM 896 CA THR A 58 1.380 6.022 1.130 1.00 0.00 C ATOM 897 C THR A 58 2.491 5.512 0.166 1.00 0.00 C ATOM 898 O THR A 58 3.574 5.228 0.544 1.00 0.00 O ATOM 899 CB THR A 58 0.565 4.855 1.730 1.00 0.00 C ATOM 900 OG1 THR A 58 -0.429 5.396 2.584 1.00 0.00 O ATOM 901 CG2 THR A 58 1.463 3.915 2.553 1.00 0.00 C ATOM 0 H THR A 58 -0.343 6.217 -0.195 1.00 0.00 H new ATOM 0 HA THR A 58 1.832 6.608 1.930 1.00 0.00 H new ATOM 0 HB THR A 58 0.119 4.283 0.916 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.958 4.668 2.973 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.862 3.104 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.241 3.502 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.923 4.473 3.369 1.00 0.00 H new ATOM 909 N GLY A 59 2.221 5.514 -1.108 1.00 0.00 N ATOM 910 CA GLY A 59 3.182 5.093 -2.190 1.00 0.00 C ATOM 911 C GLY A 59 4.126 6.206 -2.441 1.00 0.00 C ATOM 912 O GLY A 59 4.999 6.167 -3.285 1.00 0.00 O ATOM 0 H GLY A 59 1.315 5.809 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.725 4.198 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.640 4.844 -3.102 1.00 0.00 H new ATOM 916 N LYS A 60 3.890 7.201 -1.702 1.00 0.00 N ATOM 917 CA LYS A 60 4.656 8.454 -1.768 1.00 0.00 C ATOM 918 C LYS A 60 6.161 8.245 -1.393 1.00 0.00 C ATOM 919 O LYS A 60 7.023 8.854 -1.992 1.00 0.00 O ATOM 920 CB LYS A 60 3.962 9.402 -0.745 1.00 0.00 C ATOM 921 CG LYS A 60 4.575 10.880 -0.754 1.00 0.00 C ATOM 922 CD LYS A 60 3.772 11.782 0.205 1.00 0.00 C ATOM 923 CE LYS A 60 3.954 11.332 1.669 1.00 0.00 C ATOM 924 NZ LYS A 60 2.927 10.303 1.999 1.00 0.00 N ATOM 0 H LYS A 60 3.149 7.211 -1.002 1.00 0.00 H new ATOM 0 HA LYS A 60 4.661 8.860 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.897 9.454 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.056 8.981 0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.622 10.852 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.546 11.290 -1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.098 12.816 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.715 11.751 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.954 10.924 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.858 12.186 2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.253 10.693 2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.418 10.031 1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.392 9.466 2.405 1.00 0.00 H new ATOM 938 N ASP A 61 6.481 7.400 -0.447 1.00 0.00 N ATOM 939 CA ASP A 61 7.931 7.150 -0.062 1.00 0.00 C ATOM 940 C ASP A 61 8.615 6.305 -1.152 1.00 0.00 C ATOM 941 O ASP A 61 9.798 6.028 -1.088 1.00 0.00 O ATOM 942 CB ASP A 61 8.023 6.430 1.284 1.00 0.00 C ATOM 943 CG ASP A 61 7.152 5.169 1.244 1.00 0.00 C ATOM 944 OD1 ASP A 61 6.285 5.095 0.391 1.00 0.00 O ATOM 945 OD2 ASP A 61 7.369 4.295 2.071 1.00 0.00 O ATOM 0 H ASP A 61 5.802 6.860 0.089 1.00 0.00 H new ATOM 0 HA ASP A 61 8.436 8.112 0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.058 6.164 1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.692 7.090 2.086 1.00 0.00 H new ATOM 950 N GLN A 62 7.852 5.811 -2.081 1.00 0.00 N ATOM 951 CA GLN A 62 8.404 4.915 -3.151 1.00 0.00 C ATOM 952 C GLN A 62 8.606 5.635 -4.451 1.00 0.00 C ATOM 953 O GLN A 62 7.860 6.500 -4.847 1.00 0.00 O ATOM 954 CB GLN A 62 7.337 3.875 -3.438 1.00 0.00 C ATOM 955 CG GLN A 62 7.157 2.962 -2.168 1.00 0.00 C ATOM 956 CD GLN A 62 6.123 1.857 -2.437 1.00 0.00 C ATOM 957 OE1 GLN A 62 6.131 0.829 -1.791 1.00 0.00 O ATOM 958 NE2 GLN A 62 5.228 2.032 -3.372 1.00 0.00 N ATOM 0 H GLN A 62 6.850 5.989 -2.152 1.00 0.00 H new ATOM 0 HA GLN A 62 9.357 4.516 -2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.394 4.362 -3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.622 3.271 -4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.113 2.514 -1.897 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.837 3.568 -1.320 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.220 2.895 -3.915 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.537 1.306 -3.559 1.00 0.00 H new ATOM 967 N THR A 63 9.611 5.232 -5.143 1.00 0.00 N ATOM 968 CA THR A 63 9.871 5.845 -6.440 1.00 0.00 C ATOM 969 C THR A 63 8.851 5.353 -7.462 1.00 0.00 C ATOM 970 O THR A 63 8.116 4.425 -7.235 1.00 0.00 O ATOM 971 CB THR A 63 11.321 5.566 -6.888 1.00 0.00 C ATOM 972 OG1 THR A 63 11.395 4.244 -7.406 1.00 0.00 O ATOM 973 CG2 THR A 63 12.286 5.699 -5.701 1.00 0.00 C ATOM 0 H THR A 63 10.264 4.501 -4.862 1.00 0.00 H new ATOM 0 HA THR A 63 9.762 6.926 -6.357 1.00 0.00 H new ATOM 0 HB THR A 63 11.604 6.290 -7.652 1.00 0.00 H new ATOM 0 HG1 THR A 63 12.312 4.057 -7.695 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.304 5.499 -6.035 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.229 6.710 -5.297 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.011 4.983 -4.927 1.00 0.00 H new ATOM 981 N GLU A 64 8.873 5.993 -8.594 1.00 0.00 N ATOM 982 CA GLU A 64 7.996 5.672 -9.763 1.00 0.00 C ATOM 983 C GLU A 64 8.189 4.238 -10.327 1.00 0.00 C ATOM 984 O GLU A 64 7.226 3.587 -10.638 1.00 0.00 O ATOM 985 CB GLU A 64 8.343 6.678 -10.877 1.00 0.00 C ATOM 986 CG GLU A 64 7.326 6.583 -12.022 1.00 0.00 C ATOM 987 CD GLU A 64 5.994 7.185 -11.571 1.00 0.00 C ATOM 988 OE1 GLU A 64 5.962 7.768 -10.499 1.00 0.00 O ATOM 989 OE2 GLU A 64 5.031 7.053 -12.306 1.00 0.00 O ATOM 0 H GLU A 64 9.503 6.776 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 64 6.961 5.734 -9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.350 7.690 -10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.346 6.479 -11.256 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.699 7.113 -12.899 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.187 5.542 -12.314 1.00 0.00 H new ATOM 996 N SER A 65 9.389 3.755 -10.530 1.00 0.00 N ATOM 997 CA SER A 65 9.559 2.409 -11.088 1.00 0.00 C ATOM 998 C SER A 65 9.261 1.344 -10.045 1.00 0.00 C ATOM 999 O SER A 65 8.894 0.265 -10.372 1.00 0.00 O ATOM 1000 CB SER A 65 11.004 2.298 -11.576 1.00 0.00 C ATOM 1001 OG SER A 65 11.883 2.521 -10.483 1.00 0.00 O ATOM 0 H SER A 65 10.256 4.251 -10.326 1.00 0.00 H new ATOM 0 HA SER A 65 8.862 2.250 -11.911 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.181 1.312 -12.005 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.192 3.027 -12.364 1.00 0.00 H new ATOM 0 HG SER A 65 12.811 2.449 -10.790 1.00 0.00 H new ATOM 1007 N TRP A 66 9.352 1.618 -8.790 1.00 0.00 N ATOM 1008 CA TRP A 66 9.043 0.545 -7.801 1.00 0.00 C ATOM 1009 C TRP A 66 7.591 0.196 -8.027 1.00 0.00 C ATOM 1010 O TRP A 66 7.190 -0.911 -8.088 1.00 0.00 O ATOM 1011 CB TRP A 66 9.292 0.997 -6.362 1.00 0.00 C ATOM 1012 CG TRP A 66 9.198 -0.169 -5.465 1.00 0.00 C ATOM 1013 CD1 TRP A 66 8.061 -0.660 -4.969 1.00 0.00 C ATOM 1014 CD2 TRP A 66 10.271 -0.962 -4.910 1.00 0.00 C ATOM 1015 NE1 TRP A 66 8.354 -1.778 -4.209 1.00 0.00 N ATOM 1016 CE2 TRP A 66 9.712 -1.971 -4.105 1.00 0.00 C ATOM 1017 CE3 TRP A 66 11.671 -0.906 -5.040 1.00 0.00 C ATOM 1018 CZ2 TRP A 66 10.513 -2.894 -3.434 1.00 0.00 C ATOM 1019 CZ3 TRP A 66 12.479 -1.826 -4.364 1.00 0.00 C ATOM 1020 CH2 TRP A 66 11.904 -2.818 -3.554 1.00 0.00 C ATOM 0 H TRP A 66 9.622 2.520 -8.398 1.00 0.00 H new ATOM 0 HA TRP A 66 9.694 -0.318 -7.943 1.00 0.00 H new ATOM 0 HB2 TRP A 66 10.276 1.457 -6.278 1.00 0.00 H new ATOM 0 HB3 TRP A 66 8.561 1.753 -6.074 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.075 -0.252 -5.134 1.00 0.00 H new ATOM 0 HE1 TRP A 66 7.653 -2.382 -3.780 1.00 0.00 H new ATOM 0 HE3 TRP A 66 12.123 -0.150 -5.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 10.062 -3.663 -2.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 13.553 -1.773 -4.466 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.533 -3.519 -3.026 1.00 0.00 H new ATOM 1031 N TRP A 67 6.793 1.185 -8.138 1.00 0.00 N ATOM 1032 CA TRP A 67 5.370 0.923 -8.306 1.00 0.00 C ATOM 1033 C TRP A 67 5.285 0.199 -9.678 1.00 0.00 C ATOM 1034 O TRP A 67 4.713 -0.881 -9.797 1.00 0.00 O ATOM 1035 CB TRP A 67 4.590 2.254 -8.277 1.00 0.00 C ATOM 1036 CG TRP A 67 4.105 2.643 -6.859 1.00 0.00 C ATOM 1037 CD1 TRP A 67 4.541 3.675 -6.052 1.00 0.00 C ATOM 1038 CD2 TRP A 67 3.064 1.979 -6.070 1.00 0.00 C ATOM 1039 NE1 TRP A 67 3.811 3.704 -4.894 1.00 0.00 N ATOM 1040 CE2 TRP A 67 2.895 2.674 -4.836 1.00 0.00 C ATOM 1041 CE3 TRP A 67 2.240 0.853 -6.315 1.00 0.00 C ATOM 1042 CZ2 TRP A 67 1.951 2.268 -3.886 1.00 0.00 C ATOM 1043 CZ3 TRP A 67 1.291 0.436 -5.358 1.00 0.00 C ATOM 1044 CH2 TRP A 67 1.149 1.142 -4.145 1.00 0.00 C ATOM 0 H TRP A 67 7.064 2.168 -8.120 1.00 0.00 H new ATOM 0 HA TRP A 67 4.930 0.315 -7.516 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.225 3.049 -8.668 1.00 0.00 H new ATOM 0 HB3 TRP A 67 3.729 2.178 -8.941 1.00 0.00 H new ATOM 0 HD1 TRP A 67 5.340 4.359 -6.298 1.00 0.00 H new ATOM 0 HE1 TRP A 67 3.930 4.404 -4.162 1.00 0.00 H new ATOM 0 HE3 TRP A 67 2.339 0.309 -7.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.839 2.815 -2.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.671 -0.426 -5.555 1.00 0.00 H new ATOM 0 HH2 TRP A 67 0.423 0.817 -3.414 1.00 0.00 H new ATOM 1055 N LYS A 68 5.960 0.727 -10.683 1.00 0.00 N ATOM 1056 CA LYS A 68 5.970 0.047 -12.040 1.00 0.00 C ATOM 1057 C LYS A 68 6.273 -1.422 -11.813 1.00 0.00 C ATOM 1058 O LYS A 68 5.544 -2.310 -12.203 1.00 0.00 O ATOM 1059 CB LYS A 68 7.071 0.662 -12.992 1.00 0.00 C ATOM 1060 CG LYS A 68 6.967 0.194 -14.506 1.00 0.00 C ATOM 1061 CD LYS A 68 5.827 0.949 -15.257 1.00 0.00 C ATOM 1062 CE LYS A 68 5.670 0.403 -16.687 1.00 0.00 C ATOM 1063 NZ LYS A 68 6.933 0.617 -17.448 1.00 0.00 N ATOM 0 H LYS A 68 6.501 1.590 -10.628 1.00 0.00 H new ATOM 0 HA LYS A 68 5.002 0.190 -12.520 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.999 1.749 -12.955 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.056 0.394 -12.609 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.917 0.372 -15.010 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.782 -0.879 -14.545 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.889 0.837 -14.713 1.00 0.00 H new ATOM 0 HD3 LYS A 68 6.050 2.015 -15.291 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.428 -0.659 -16.656 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.842 0.904 -17.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.756 0.471 -18.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.272 1.588 -17.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.654 -0.058 -17.122 1.00 0.00 H new ATOM 1077 N ALA A 69 7.387 -1.650 -11.211 1.00 0.00 N ATOM 1078 CA ALA A 69 7.843 -3.001 -10.932 1.00 0.00 C ATOM 1079 C ALA A 69 6.857 -3.709 -9.998 1.00 0.00 C ATOM 1080 O ALA A 69 6.605 -4.876 -10.149 1.00 0.00 O ATOM 1081 CB ALA A 69 9.239 -2.936 -10.320 1.00 0.00 C ATOM 0 H ALA A 69 8.021 -0.918 -10.891 1.00 0.00 H new ATOM 0 HA ALA A 69 7.891 -3.577 -11.856 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.590 -3.946 -10.107 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.921 -2.455 -11.021 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.204 -2.361 -9.395 1.00 0.00 H new ATOM 1087 N PHE A 70 6.288 -3.012 -9.048 1.00 0.00 N ATOM 1088 CA PHE A 70 5.304 -3.676 -8.111 1.00 0.00 C ATOM 1089 C PHE A 70 4.109 -4.212 -8.902 1.00 0.00 C ATOM 1090 O PHE A 70 3.653 -5.315 -8.686 1.00 0.00 O ATOM 1091 CB PHE A 70 4.774 -2.660 -7.121 1.00 0.00 C ATOM 1092 CG PHE A 70 3.926 -3.268 -6.026 1.00 0.00 C ATOM 1093 CD1 PHE A 70 4.458 -4.304 -5.235 1.00 0.00 C ATOM 1094 CD2 PHE A 70 2.591 -2.859 -5.850 1.00 0.00 C ATOM 1095 CE1 PHE A 70 3.655 -4.929 -4.264 1.00 0.00 C ATOM 1096 CE2 PHE A 70 1.791 -3.480 -4.873 1.00 0.00 C ATOM 1097 CZ PHE A 70 2.322 -4.517 -4.085 1.00 0.00 C ATOM 0 H PHE A 70 6.454 -2.021 -8.874 1.00 0.00 H new ATOM 0 HA PHE A 70 5.817 -4.488 -7.595 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.614 -2.133 -6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.183 -1.917 -7.657 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.482 -4.619 -5.374 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.181 -2.070 -6.463 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.061 -5.724 -3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.770 -3.160 -4.728 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.705 -4.998 -3.341 1.00 0.00 H new ATOM 1107 N SER A 71 3.597 -3.425 -9.821 1.00 0.00 N ATOM 1108 CA SER A 71 2.431 -3.899 -10.615 1.00 0.00 C ATOM 1109 C SER A 71 2.797 -5.204 -11.332 1.00 0.00 C ATOM 1110 O SER A 71 2.006 -6.124 -11.420 1.00 0.00 O ATOM 1111 CB SER A 71 2.057 -2.839 -11.651 1.00 0.00 C ATOM 1112 OG SER A 71 1.731 -1.625 -10.988 1.00 0.00 O ATOM 0 H SER A 71 3.934 -2.490 -10.049 1.00 0.00 H new ATOM 0 HA SER A 71 1.585 -4.074 -9.950 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.887 -2.679 -12.339 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.210 -3.180 -12.247 1.00 0.00 H new ATOM 0 HG SER A 71 1.493 -0.944 -11.651 1.00 0.00 H new ATOM 1118 N ARG A 72 3.996 -5.274 -11.843 1.00 0.00 N ATOM 1119 CA ARG A 72 4.443 -6.500 -12.567 1.00 0.00 C ATOM 1120 C ARG A 72 4.344 -7.730 -11.646 1.00 0.00 C ATOM 1121 O ARG A 72 3.897 -8.785 -12.048 1.00 0.00 O ATOM 1122 CB ARG A 72 5.899 -6.265 -13.026 1.00 0.00 C ATOM 1123 CG ARG A 72 6.425 -7.445 -13.854 1.00 0.00 C ATOM 1124 CD ARG A 72 7.813 -7.105 -14.403 1.00 0.00 C ATOM 1125 NE ARG A 72 7.698 -5.999 -15.396 1.00 0.00 N ATOM 1126 CZ ARG A 72 8.651 -5.803 -16.268 1.00 0.00 C ATOM 1127 NH1 ARG A 72 9.705 -6.574 -16.266 1.00 0.00 N ATOM 1128 NH2 ARG A 72 8.548 -4.838 -17.139 1.00 0.00 N ATOM 0 H ARG A 72 4.691 -4.529 -11.790 1.00 0.00 H new ATOM 0 HA ARG A 72 3.807 -6.692 -13.431 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.952 -5.351 -13.618 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.537 -6.118 -12.155 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.476 -8.342 -13.237 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.741 -7.661 -14.674 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.475 -6.810 -13.589 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.256 -7.984 -14.871 1.00 0.00 H new ATOM 0 HE ARG A 72 6.876 -5.396 -15.395 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.784 -7.328 -15.584 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.450 -6.422 -16.946 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.724 -4.237 -17.139 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.292 -4.684 -17.820 1.00 0.00 H new ATOM 1142 N GLN A 73 4.770 -7.605 -10.422 1.00 0.00 N ATOM 1143 CA GLN A 73 4.707 -8.758 -9.474 1.00 0.00 C ATOM 1144 C GLN A 73 3.271 -9.322 -9.372 1.00 0.00 C ATOM 1145 O GLN A 73 3.065 -10.526 -9.346 1.00 0.00 O ATOM 1146 CB GLN A 73 5.135 -8.286 -8.069 1.00 0.00 C ATOM 1147 CG GLN A 73 6.602 -7.849 -8.038 1.00 0.00 C ATOM 1148 CD GLN A 73 7.001 -7.523 -6.564 1.00 0.00 C ATOM 1149 OE1 GLN A 73 6.393 -8.023 -5.644 1.00 0.00 O ATOM 1150 NE2 GLN A 73 7.987 -6.673 -6.305 1.00 0.00 N ATOM 0 H GLN A 73 5.163 -6.748 -10.032 1.00 0.00 H new ATOM 0 HA GLN A 73 5.372 -9.536 -9.848 1.00 0.00 H new ATOM 0 HB2 GLN A 73 4.502 -7.456 -7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.981 -9.092 -7.352 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.239 -8.639 -8.435 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.748 -6.973 -8.671 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.506 -6.245 -7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.225 -6.447 -5.339 1.00 0.00 H new ATOM 1159 N LEU A 74 2.287 -8.458 -9.275 1.00 0.00 N ATOM 1160 CA LEU A 74 0.859 -8.917 -9.137 1.00 0.00 C ATOM 1161 C LEU A 74 0.359 -9.688 -10.370 1.00 0.00 C ATOM 1162 O LEU A 74 -0.437 -10.600 -10.253 1.00 0.00 O ATOM 1163 CB LEU A 74 -0.038 -7.687 -8.926 1.00 0.00 C ATOM 1164 CG LEU A 74 0.638 -6.705 -7.928 1.00 0.00 C ATOM 1165 CD1 LEU A 74 -0.360 -5.597 -7.501 1.00 0.00 C ATOM 1166 CD2 LEU A 74 1.163 -7.450 -6.667 1.00 0.00 C ATOM 0 H LEU A 74 2.410 -7.445 -9.285 1.00 0.00 H new ATOM 0 HA LEU A 74 0.815 -9.597 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.215 -7.187 -9.878 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.010 -7.996 -8.543 1.00 0.00 H new ATOM 0 HG LEU A 74 1.488 -6.251 -8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.128 -4.917 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.685 -5.041 -8.381 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.225 -6.053 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.630 -6.735 -5.990 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.331 -7.939 -6.161 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.897 -8.199 -6.966 1.00 0.00 H new ATOM 1178 N ILE A 75 0.767 -9.299 -11.542 1.00 0.00 N ATOM 1179 CA ILE A 75 0.282 -10.000 -12.774 1.00 0.00 C ATOM 1180 C ILE A 75 0.715 -11.475 -12.808 1.00 0.00 C ATOM 1181 O ILE A 75 -0.056 -12.346 -13.164 1.00 0.00 O ATOM 1182 CB ILE A 75 0.843 -9.287 -14.003 1.00 0.00 C ATOM 1183 CG1 ILE A 75 0.251 -7.875 -14.082 1.00 0.00 C ATOM 1184 CG2 ILE A 75 0.474 -10.069 -15.265 1.00 0.00 C ATOM 1185 CD1 ILE A 75 1.004 -7.055 -15.133 1.00 0.00 C ATOM 0 H ILE A 75 1.414 -8.528 -11.707 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.808 -9.972 -12.769 1.00 0.00 H new ATOM 0 HB ILE A 75 1.928 -9.225 -13.925 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.807 -7.928 -14.339 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.319 -7.387 -13.110 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.875 -9.558 -16.140 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.894 -11.073 -15.207 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.611 -10.134 -15.349 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.579 -6.052 -15.185 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.057 -6.989 -14.858 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.913 -7.539 -16.106 1.00 0.00 H new ATOM 1197 N THR A 76 1.946 -11.757 -12.491 1.00 0.00 N ATOM 1198 CA THR A 76 2.436 -13.174 -12.540 1.00 0.00 C ATOM 1199 C THR A 76 1.798 -14.028 -11.434 1.00 0.00 C ATOM 1200 O THR A 76 1.435 -15.163 -11.664 1.00 0.00 O ATOM 1201 CB THR A 76 3.960 -13.188 -12.381 1.00 0.00 C ATOM 1202 OG1 THR A 76 4.548 -12.466 -13.454 1.00 0.00 O ATOM 1203 CG2 THR A 76 4.471 -14.632 -12.395 1.00 0.00 C ATOM 0 H THR A 76 2.641 -11.070 -12.198 1.00 0.00 H new ATOM 0 HA THR A 76 2.152 -13.600 -13.502 1.00 0.00 H new ATOM 0 HB THR A 76 4.230 -12.723 -11.433 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.523 -12.471 -13.356 1.00 0.00 H new ATOM 0 HG21 THR A 76 5.555 -14.635 -12.282 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.018 -15.186 -11.573 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.204 -15.103 -13.341 1.00 0.00 H new ATOM 1211 N GLU A 77 1.685 -13.520 -10.237 1.00 0.00 N ATOM 1212 CA GLU A 77 1.086 -14.348 -9.142 1.00 0.00 C ATOM 1213 C GLU A 77 -0.371 -14.722 -9.460 1.00 0.00 C ATOM 1214 O GLU A 77 -0.917 -15.633 -8.873 1.00 0.00 O ATOM 1215 CB GLU A 77 1.132 -13.552 -7.833 1.00 0.00 C ATOM 1216 CG GLU A 77 2.587 -13.376 -7.388 1.00 0.00 C ATOM 1217 CD GLU A 77 2.628 -12.514 -6.127 1.00 0.00 C ATOM 1218 OE1 GLU A 77 1.577 -12.052 -5.714 1.00 0.00 O ATOM 1219 OE2 GLU A 77 3.708 -12.333 -5.590 1.00 0.00 O ATOM 0 H GLU A 77 1.976 -12.580 -9.968 1.00 0.00 H new ATOM 0 HA GLU A 77 1.661 -15.269 -9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.663 -12.578 -7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.565 -14.071 -7.060 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.040 -14.348 -7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.168 -12.907 -8.182 1.00 0.00 H new ATOM 1226 N GLY A 78 -1.021 -14.027 -10.358 1.00 0.00 N ATOM 1227 CA GLY A 78 -2.446 -14.372 -10.672 1.00 0.00 C ATOM 1228 C GLY A 78 -3.349 -13.420 -9.884 1.00 0.00 C ATOM 1229 O GLY A 78 -4.541 -13.324 -10.111 1.00 0.00 O ATOM 0 H GLY A 78 -0.634 -13.243 -10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.634 -14.277 -11.741 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.656 -15.407 -10.402 1.00 0.00 H new ATOM 1233 N PHE A 79 -2.757 -12.690 -8.986 1.00 0.00 N ATOM 1234 CA PHE A 79 -3.490 -11.692 -8.156 1.00 0.00 C ATOM 1235 C PHE A 79 -4.075 -10.611 -9.074 1.00 0.00 C ATOM 1236 O PHE A 79 -5.102 -10.036 -8.787 1.00 0.00 O ATOM 1237 CB PHE A 79 -2.448 -11.072 -7.213 1.00 0.00 C ATOM 1238 CG PHE A 79 -2.367 -11.846 -5.909 1.00 0.00 C ATOM 1239 CD1 PHE A 79 -1.932 -13.184 -5.928 1.00 0.00 C ATOM 1240 CD2 PHE A 79 -2.726 -11.244 -4.679 1.00 0.00 C ATOM 1241 CE1 PHE A 79 -1.854 -13.922 -4.729 1.00 0.00 C ATOM 1242 CE2 PHE A 79 -2.645 -11.984 -3.485 1.00 0.00 C ATOM 1243 CZ PHE A 79 -2.208 -13.320 -3.509 1.00 0.00 C ATOM 0 H PHE A 79 -1.759 -12.745 -8.784 1.00 0.00 H new ATOM 0 HA PHE A 79 -4.307 -12.146 -7.595 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.472 -11.065 -7.698 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.709 -10.034 -7.008 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.657 -13.647 -6.864 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.062 -10.218 -4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -1.522 -14.950 -4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.919 -11.524 -2.547 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.144 -13.884 -2.590 1.00 0.00 H new ATOM 1253 N LEU A 80 -3.404 -10.299 -10.162 1.00 0.00 N ATOM 1254 CA LEU A 80 -3.916 -9.229 -11.080 1.00 0.00 C ATOM 1255 C LEU A 80 -3.881 -9.698 -12.549 1.00 0.00 C ATOM 1256 O LEU A 80 -3.008 -10.424 -12.978 1.00 0.00 O ATOM 1257 CB LEU A 80 -3.016 -7.981 -10.900 1.00 0.00 C ATOM 1258 CG LEU A 80 -3.492 -6.782 -11.746 1.00 0.00 C ATOM 1259 CD1 LEU A 80 -4.894 -6.333 -11.299 1.00 0.00 C ATOM 1260 CD2 LEU A 80 -2.481 -5.619 -11.656 1.00 0.00 C ATOM 0 H LEU A 80 -2.529 -10.737 -10.452 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.952 -8.997 -10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.002 -7.696 -9.848 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.992 -8.233 -11.176 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.553 -7.094 -12.789 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.215 -5.486 -11.906 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.597 -7.157 -11.424 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.864 -6.037 -10.250 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.834 -4.783 -12.259 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.383 -5.302 -10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.511 -5.950 -12.027 1.00 0.00 H new ATOM 1272 N VAL A 81 -4.838 -9.234 -13.308 1.00 0.00 N ATOM 1273 CA VAL A 81 -4.940 -9.564 -14.761 1.00 0.00 C ATOM 1274 C VAL A 81 -5.208 -8.240 -15.484 1.00 0.00 C ATOM 1275 O VAL A 81 -5.764 -7.340 -14.899 1.00 0.00 O ATOM 1276 CB VAL A 81 -6.109 -10.531 -15.001 1.00 0.00 C ATOM 1277 CG1 VAL A 81 -7.378 -9.989 -14.329 1.00 0.00 C ATOM 1278 CG2 VAL A 81 -6.351 -10.678 -16.510 1.00 0.00 C ATOM 0 H VAL A 81 -5.578 -8.619 -12.969 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.030 -10.042 -15.123 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.864 -11.504 -14.575 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.204 -10.678 -14.502 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.208 -9.889 -13.257 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.625 -9.014 -14.750 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.181 -11.364 -16.680 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.592 -9.704 -16.936 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.452 -11.070 -16.986 1.00 0.00 H new ATOM 1288 N GLU A 82 -4.815 -8.077 -16.723 1.00 0.00 N ATOM 1289 CA GLU A 82 -5.085 -6.761 -17.406 1.00 0.00 C ATOM 1290 C GLU A 82 -5.838 -6.958 -18.713 1.00 0.00 C ATOM 1291 O GLU A 82 -5.561 -7.873 -19.463 1.00 0.00 O ATOM 1292 CB GLU A 82 -3.756 -6.040 -17.670 1.00 0.00 C ATOM 1293 CG GLU A 82 -3.107 -5.642 -16.339 1.00 0.00 C ATOM 1294 CD GLU A 82 -1.741 -4.999 -16.602 1.00 0.00 C ATOM 1295 OE1 GLU A 82 -1.367 -4.904 -17.759 1.00 0.00 O ATOM 1296 OE2 GLU A 82 -1.097 -4.613 -15.641 1.00 0.00 O ATOM 0 H GLU A 82 -4.330 -8.776 -17.285 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.710 -6.156 -16.749 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.085 -6.689 -18.232 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.928 -5.154 -18.281 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.751 -4.944 -15.804 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.990 -6.520 -15.704 1.00 0.00 H new ATOM 1303 N VAL A 83 -6.790 -6.095 -19.014 1.00 0.00 N ATOM 1304 CA VAL A 83 -7.524 -6.264 -20.294 1.00 0.00 C ATOM 1305 C VAL A 83 -7.239 -5.051 -21.166 1.00 0.00 C ATOM 1306 O VAL A 83 -7.395 -3.889 -20.784 1.00 0.00 O ATOM 1307 CB VAL A 83 -9.023 -6.409 -20.037 1.00 0.00 C ATOM 1308 CG1 VAL A 83 -9.787 -6.365 -21.362 1.00 0.00 C ATOM 1309 CG2 VAL A 83 -9.289 -7.755 -19.349 1.00 0.00 C ATOM 0 H VAL A 83 -7.077 -5.304 -18.438 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.192 -7.170 -20.801 1.00 0.00 H new ATOM 0 HB VAL A 83 -9.358 -5.590 -19.400 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.855 -6.469 -21.170 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.599 -5.413 -21.859 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.452 -7.181 -22.002 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.358 -7.864 -19.163 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.948 -8.566 -19.992 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.750 -7.792 -18.402 1.00 0.00 H new ATOM 1319 N SER A 84 -6.859 -5.354 -22.353 1.00 0.00 N ATOM 1320 CA SER A 84 -6.537 -4.331 -23.354 1.00 0.00 C ATOM 1321 C SER A 84 -7.800 -3.912 -24.066 1.00 0.00 C ATOM 1322 O SER A 84 -7.777 -3.008 -24.860 1.00 0.00 O ATOM 1323 CB SER A 84 -5.474 -4.822 -24.339 1.00 0.00 C ATOM 1324 OG SER A 84 -4.976 -3.716 -25.080 1.00 0.00 O ATOM 0 H SER A 84 -6.753 -6.312 -22.686 1.00 0.00 H new ATOM 0 HA SER A 84 -6.114 -3.464 -22.847 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.661 -5.310 -23.802 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.901 -5.564 -25.013 1.00 0.00 H new ATOM 0 HG SER A 84 -5.714 -3.111 -25.300 1.00 0.00 H new ATOM 1330 N ARG A 85 -8.890 -4.615 -23.888 1.00 0.00 N ATOM 1331 CA ARG A 85 -10.114 -4.266 -24.671 1.00 0.00 C ATOM 1332 C ARG A 85 -10.905 -3.203 -23.904 1.00 0.00 C ATOM 1333 O ARG A 85 -12.061 -2.909 -24.120 1.00 0.00 O ATOM 1334 CB ARG A 85 -10.977 -5.527 -24.846 1.00 0.00 C ATOM 1335 CG ARG A 85 -10.297 -6.532 -25.824 1.00 0.00 C ATOM 1336 CD ARG A 85 -11.162 -7.795 -25.970 1.00 0.00 C ATOM 1337 NE ARG A 85 -10.502 -8.750 -26.902 1.00 0.00 N ATOM 1338 CZ ARG A 85 -11.074 -9.891 -27.175 1.00 0.00 C ATOM 1339 NH1 ARG A 85 -12.218 -10.194 -26.627 1.00 0.00 N ATOM 1340 NH2 ARG A 85 -10.503 -10.729 -27.996 1.00 0.00 N ATOM 0 H ARG A 85 -8.986 -5.402 -23.246 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.836 -3.880 -25.651 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -11.133 -6.004 -23.878 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.960 -5.250 -25.227 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.156 -6.064 -26.798 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -9.308 -6.800 -25.453 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -11.306 -8.263 -24.996 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -12.150 -7.529 -26.346 1.00 0.00 H new ATOM 0 HE ARG A 85 -9.605 -8.513 -27.326 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -12.665 -9.539 -25.985 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.665 -11.086 -26.840 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.608 -10.493 -28.425 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.951 -11.620 -28.208 1.00 0.00 H new ATOM 1354 N TYR A 86 -10.205 -2.753 -22.900 1.00 0.00 N ATOM 1355 CA TYR A 86 -10.663 -1.791 -21.867 1.00 0.00 C ATOM 1356 C TYR A 86 -9.571 -0.790 -21.443 1.00 0.00 C ATOM 1357 O TYR A 86 -8.534 -1.146 -20.922 1.00 0.00 O ATOM 1358 CB TYR A 86 -11.073 -2.650 -20.637 1.00 0.00 C ATOM 1359 CG TYR A 86 -12.504 -3.144 -20.788 1.00 0.00 C ATOM 1360 CD1 TYR A 86 -12.785 -4.281 -21.575 1.00 0.00 C ATOM 1361 CD2 TYR A 86 -13.552 -2.458 -20.141 1.00 0.00 C ATOM 1362 CE1 TYR A 86 -14.111 -4.732 -21.711 1.00 0.00 C ATOM 1363 CE2 TYR A 86 -14.878 -2.914 -20.277 1.00 0.00 C ATOM 1364 CZ TYR A 86 -15.158 -4.048 -21.063 1.00 0.00 C ATOM 1365 OH TYR A 86 -16.457 -4.491 -21.199 1.00 0.00 O ATOM 0 H TYR A 86 -9.241 -3.049 -22.748 1.00 0.00 H new ATOM 0 HA TYR A 86 -11.481 -1.193 -22.269 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.397 -3.499 -20.537 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.980 -2.059 -19.726 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.983 -4.805 -22.073 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -13.339 -1.585 -19.542 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.326 -5.603 -22.312 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -15.681 -2.393 -19.777 1.00 0.00 H new ATOM 0 HH TYR A 86 -17.057 -3.908 -20.688 1.00 0.00 H new ATOM 1375 N ASN A 87 -9.830 0.456 -21.770 1.00 0.00 N ATOM 1376 CA ASN A 87 -8.923 1.633 -21.532 1.00 0.00 C ATOM 1377 C ASN A 87 -8.005 1.819 -22.748 1.00 0.00 C ATOM 1378 O ASN A 87 -6.881 1.360 -22.747 1.00 0.00 O ATOM 1379 CB ASN A 87 -8.065 1.426 -20.280 1.00 0.00 C ATOM 1380 CG ASN A 87 -8.973 1.312 -19.054 1.00 0.00 C ATOM 1381 OD1 ASN A 87 -8.543 1.529 -17.939 1.00 0.00 O ATOM 1382 ND2 ASN A 87 -10.227 0.982 -19.217 1.00 0.00 N ATOM 0 H ASN A 87 -10.702 0.722 -22.228 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.541 2.519 -21.384 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -7.462 0.524 -20.384 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.374 2.260 -20.158 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -10.844 0.907 -18.408 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.589 0.800 -20.153 1.00 0.00 H new ATOM 1389 N LYS A 88 -8.412 2.590 -23.728 1.00 0.00 N ATOM 1390 CA LYS A 88 -7.484 2.876 -24.871 1.00 0.00 C ATOM 1391 C LYS A 88 -6.308 3.677 -24.294 1.00 0.00 C ATOM 1392 O LYS A 88 -5.318 3.951 -24.938 1.00 0.00 O ATOM 1393 CB LYS A 88 -8.203 3.717 -25.933 1.00 0.00 C ATOM 1394 CG LYS A 88 -7.435 3.662 -27.258 1.00 0.00 C ATOM 1395 CD LYS A 88 -8.188 4.486 -28.306 1.00 0.00 C ATOM 1396 CE LYS A 88 -9.388 3.684 -28.808 1.00 0.00 C ATOM 1397 NZ LYS A 88 -9.924 4.316 -30.048 1.00 0.00 N ATOM 0 H LYS A 88 -9.331 3.028 -23.788 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.146 1.952 -25.339 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.218 3.346 -26.076 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -8.286 4.750 -25.595 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.426 4.054 -27.125 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.335 2.629 -27.592 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.521 5.429 -27.874 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.527 4.732 -29.137 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.092 2.655 -29.010 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.162 3.649 -28.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -10.741 3.771 -30.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -10.221 5.291 -29.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -9.185 4.328 -30.779 1.00 0.00 H new ATOM 1411 N PHE A 89 -6.445 3.998 -23.028 1.00 0.00 N ATOM 1412 CA PHE A 89 -5.425 4.763 -22.246 1.00 0.00 C ATOM 1413 C PHE A 89 -4.309 3.763 -21.956 1.00 0.00 C ATOM 1414 O PHE A 89 -3.245 3.792 -22.534 1.00 0.00 O ATOM 1415 CB PHE A 89 -6.031 5.279 -20.940 1.00 0.00 C ATOM 1416 CG PHE A 89 -6.939 6.449 -21.238 1.00 0.00 C ATOM 1417 CD1 PHE A 89 -8.293 6.228 -21.548 1.00 0.00 C ATOM 1418 CD2 PHE A 89 -6.429 7.759 -21.214 1.00 0.00 C ATOM 1419 CE1 PHE A 89 -9.139 7.317 -21.830 1.00 0.00 C ATOM 1420 CE2 PHE A 89 -7.275 8.853 -21.497 1.00 0.00 C ATOM 1421 CZ PHE A 89 -8.628 8.630 -21.806 1.00 0.00 C ATOM 0 H PHE A 89 -7.268 3.745 -22.480 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.061 5.633 -22.793 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.592 4.485 -20.448 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.240 5.583 -20.254 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -8.684 5.222 -21.570 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.389 7.928 -20.979 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -10.179 7.146 -22.065 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.883 9.859 -21.476 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.276 9.465 -22.025 1.00 0.00 H new ATOM 1431 N MET A 90 -4.540 2.967 -20.959 1.00 0.00 N ATOM 1432 CA MET A 90 -3.535 1.990 -20.446 1.00 0.00 C ATOM 1433 C MET A 90 -4.094 0.726 -19.805 1.00 0.00 C ATOM 1434 O MET A 90 -4.184 0.576 -18.605 1.00 0.00 O ATOM 1435 CB MET A 90 -2.661 2.680 -19.392 1.00 0.00 C ATOM 1436 CG MET A 90 -1.799 3.791 -20.037 1.00 0.00 C ATOM 1437 SD MET A 90 -0.636 4.442 -18.813 1.00 0.00 S ATOM 1438 CE MET A 90 -0.069 5.875 -19.769 1.00 0.00 C ATOM 0 H MET A 90 -5.425 2.950 -20.452 1.00 0.00 H new ATOM 0 HA MET A 90 -2.989 1.671 -21.334 1.00 0.00 H new ATOM 0 HB2 MET A 90 -3.292 3.109 -18.613 1.00 0.00 H new ATOM 0 HB3 MET A 90 -2.015 1.946 -18.911 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.256 3.393 -20.894 1.00 0.00 H new ATOM 0 HG3 MET A 90 -2.438 4.592 -20.409 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.669 6.430 -19.190 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.382 5.535 -20.701 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.917 6.523 -19.992 1.00 0.00 H new ATOM 1448 N LYS A 91 -4.416 -0.198 -20.691 1.00 0.00 N ATOM 1449 CA LYS A 91 -4.920 -1.549 -20.325 1.00 0.00 C ATOM 1450 C LYS A 91 -5.663 -1.564 -19.004 1.00 0.00 C ATOM 1451 O LYS A 91 -5.032 -1.761 -17.992 1.00 0.00 O ATOM 1452 CB LYS A 91 -3.719 -2.550 -20.281 1.00 0.00 C ATOM 1453 CG LYS A 91 -2.644 -2.283 -21.401 1.00 0.00 C ATOM 1454 CD LYS A 91 -3.286 -2.377 -22.819 1.00 0.00 C ATOM 1455 CE LYS A 91 -2.253 -2.094 -23.940 1.00 0.00 C ATOM 1456 NZ LYS A 91 -1.545 -3.354 -24.289 1.00 0.00 N ATOM 0 H LYS A 91 -4.342 -0.051 -21.698 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.639 -1.850 -21.087 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.239 -2.488 -19.304 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.098 -3.567 -20.386 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.204 -1.296 -21.261 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -1.835 -3.008 -21.315 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.712 -3.370 -22.960 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.108 -1.665 -22.894 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.755 -1.691 -24.819 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.537 -1.342 -23.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.852 -3.166 -25.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.054 -3.720 -23.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.234 -4.059 -24.622 1.00 0.00 H new ATOM 1470 N ILE A 92 -6.991 -1.414 -18.914 1.00 0.00 N ATOM 1471 CA ILE A 92 -7.481 -1.477 -17.498 1.00 0.00 C ATOM 1472 C ILE A 92 -6.840 -2.526 -16.590 1.00 0.00 C ATOM 1473 O ILE A 92 -6.561 -3.641 -16.987 1.00 0.00 O ATOM 1474 CB ILE A 92 -9.051 -1.578 -17.501 1.00 0.00 C ATOM 1475 CG1 ILE A 92 -9.678 -0.833 -16.290 1.00 0.00 C ATOM 1476 CG2 ILE A 92 -9.481 -3.054 -17.499 1.00 0.00 C ATOM 1477 CD1 ILE A 92 -11.196 -0.652 -16.484 1.00 0.00 C ATOM 0 H ILE A 92 -7.669 -1.269 -19.662 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.150 -0.547 -17.036 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.416 -1.095 -18.408 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.488 -1.394 -15.375 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.203 0.141 -16.171 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -10.569 -3.116 -17.501 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.088 -3.549 -18.387 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -9.091 -3.545 -16.607 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -11.613 -0.128 -15.624 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -11.381 -0.071 -17.387 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -11.670 -1.629 -16.578 1.00 0.00 H new ATOM 1489 N CYS A 93 -6.766 -2.214 -15.302 1.00 0.00 N ATOM 1490 CA CYS A 93 -6.253 -3.216 -14.358 1.00 0.00 C ATOM 1491 C CYS A 93 -7.547 -3.922 -13.915 1.00 0.00 C ATOM 1492 O CYS A 93 -8.528 -3.267 -13.627 1.00 0.00 O ATOM 1493 CB CYS A 93 -5.561 -2.538 -13.167 1.00 0.00 C ATOM 1494 SG CYS A 93 -3.802 -2.310 -13.545 1.00 0.00 S ATOM 0 H CYS A 93 -7.039 -1.320 -14.894 1.00 0.00 H new ATOM 0 HA CYS A 93 -5.507 -3.887 -14.783 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -6.028 -1.575 -12.961 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -5.676 -3.147 -12.270 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.213 -1.734 -12.539 1.00 0.00 H new ATOM 1500 N ALA A 94 -7.602 -5.220 -13.915 1.00 0.00 N ATOM 1501 CA ALA A 94 -8.869 -5.915 -13.509 1.00 0.00 C ATOM 1502 C ALA A 94 -8.615 -6.949 -12.418 1.00 0.00 C ATOM 1503 O ALA A 94 -7.758 -7.806 -12.530 1.00 0.00 O ATOM 1504 CB ALA A 94 -9.454 -6.618 -14.739 1.00 0.00 C ATOM 0 H ALA A 94 -6.832 -5.836 -14.176 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.562 -5.172 -13.115 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -10.376 -7.129 -14.462 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -9.666 -5.880 -15.513 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.736 -7.345 -15.118 1.00 0.00 H new ATOM 1510 N LEU A 95 -9.382 -6.879 -11.363 1.00 0.00 N ATOM 1511 CA LEU A 95 -9.221 -7.842 -10.231 1.00 0.00 C ATOM 1512 C LEU A 95 -9.991 -9.122 -10.569 1.00 0.00 C ATOM 1513 O LEU A 95 -11.001 -9.087 -11.253 1.00 0.00 O ATOM 1514 CB LEU A 95 -9.759 -7.209 -8.932 1.00 0.00 C ATOM 1515 CG LEU A 95 -9.101 -5.845 -8.686 1.00 0.00 C ATOM 1516 CD1 LEU A 95 -9.616 -5.237 -7.371 1.00 0.00 C ATOM 1517 CD2 LEU A 95 -7.584 -6.034 -8.605 1.00 0.00 C ATOM 0 H LEU A 95 -10.122 -6.189 -11.235 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.168 -8.082 -10.082 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.841 -7.091 -8.999 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.562 -7.872 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 95 -9.350 -5.170 -9.505 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.142 -4.269 -7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.697 -5.106 -7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.375 -5.904 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.106 -5.070 -8.430 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.345 -6.711 -7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.219 -6.455 -9.542 1.00 0.00 H new ATOM 1529 N THR A 96 -9.525 -10.260 -10.111 1.00 0.00 N ATOM 1530 CA THR A 96 -10.227 -11.558 -10.401 1.00 0.00 C ATOM 1531 C THR A 96 -11.018 -12.014 -9.172 1.00 0.00 C ATOM 1532 O THR A 96 -10.888 -11.468 -8.091 1.00 0.00 O ATOM 1533 CB THR A 96 -9.179 -12.618 -10.747 1.00 0.00 C ATOM 1534 OG1 THR A 96 -8.427 -12.938 -9.582 1.00 0.00 O ATOM 1535 CG2 THR A 96 -8.246 -12.082 -11.832 1.00 0.00 C ATOM 0 H THR A 96 -8.682 -10.349 -9.544 1.00 0.00 H new ATOM 0 HA THR A 96 -10.915 -11.420 -11.235 1.00 0.00 H new ATOM 0 HB THR A 96 -9.677 -13.516 -11.114 1.00 0.00 H new ATOM 0 HG1 THR A 96 -7.757 -13.618 -9.802 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.500 -12.838 -12.077 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.825 -11.841 -12.723 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.746 -11.183 -11.471 1.00 0.00 H new ATOM 1543 N LYS A 97 -11.839 -13.020 -9.330 1.00 0.00 N ATOM 1544 CA LYS A 97 -12.642 -13.535 -8.179 1.00 0.00 C ATOM 1545 C LYS A 97 -11.744 -13.646 -6.947 1.00 0.00 C ATOM 1546 O LYS A 97 -12.212 -13.679 -5.827 1.00 0.00 O ATOM 1547 CB LYS A 97 -13.202 -14.915 -8.521 1.00 0.00 C ATOM 1548 CG LYS A 97 -14.006 -14.835 -9.828 1.00 0.00 C ATOM 1549 CD LYS A 97 -15.261 -13.961 -9.646 1.00 0.00 C ATOM 1550 CE LYS A 97 -16.277 -14.257 -10.752 1.00 0.00 C ATOM 1551 NZ LYS A 97 -17.036 -15.491 -10.413 1.00 0.00 N ATOM 0 H LYS A 97 -11.989 -13.510 -10.212 1.00 0.00 H new ATOM 0 HA LYS A 97 -13.465 -12.850 -7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -12.389 -15.633 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -13.839 -15.271 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -13.381 -14.422 -10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -14.298 -15.837 -10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -15.708 -14.153 -8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -14.985 -12.907 -9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -16.961 -13.416 -10.866 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -15.765 -14.383 -11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -17.381 -15.938 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -16.414 -16.154 -9.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.845 -15.246 -9.807 1.00 0.00 H new ATOM 1565 N LYS A 98 -10.455 -13.709 -7.148 1.00 0.00 N ATOM 1566 CA LYS A 98 -9.511 -13.829 -6.000 1.00 0.00 C ATOM 1567 C LYS A 98 -9.575 -12.559 -5.145 1.00 0.00 C ATOM 1568 O LYS A 98 -9.404 -12.600 -3.943 1.00 0.00 O ATOM 1569 CB LYS A 98 -8.076 -14.081 -6.549 1.00 0.00 C ATOM 1570 CG LYS A 98 -7.293 -12.780 -6.861 1.00 0.00 C ATOM 1571 CD LYS A 98 -6.489 -12.327 -5.636 1.00 0.00 C ATOM 1572 CE LYS A 98 -6.260 -10.812 -5.710 1.00 0.00 C ATOM 1573 NZ LYS A 98 -5.488 -10.365 -4.519 1.00 0.00 N ATOM 0 H LYS A 98 -10.012 -13.682 -8.067 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.789 -14.670 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.515 -14.667 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.143 -14.681 -7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.621 -12.947 -7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.987 -11.994 -7.158 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.025 -12.581 -4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.533 -12.849 -5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.719 -10.560 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.217 -10.291 -5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.032 -9.453 -4.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -6.131 -10.257 -3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.761 -11.073 -4.291 1.00 0.00 H new ATOM 1587 N GLY A 99 -9.752 -11.430 -5.759 1.00 0.00 N ATOM 1588 CA GLY A 99 -9.769 -10.157 -4.973 1.00 0.00 C ATOM 1589 C GLY A 99 -11.177 -9.877 -4.416 1.00 0.00 C ATOM 1590 O GLY A 99 -11.305 -9.220 -3.426 1.00 0.00 O ATOM 0 H GLY A 99 -9.886 -11.325 -6.765 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.055 -10.222 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.452 -9.329 -5.607 1.00 0.00 H new ATOM 1594 N ARG A 100 -12.220 -10.394 -5.010 1.00 0.00 N ATOM 1595 CA ARG A 100 -13.607 -10.141 -4.463 1.00 0.00 C ATOM 1596 C ARG A 100 -13.706 -10.725 -3.049 1.00 0.00 C ATOM 1597 O ARG A 100 -14.242 -10.097 -2.101 1.00 0.00 O ATOM 1598 CB ARG A 100 -14.639 -10.822 -5.367 1.00 0.00 C ATOM 1599 CG ARG A 100 -16.047 -10.473 -4.885 1.00 0.00 C ATOM 1600 CD ARG A 100 -17.079 -11.195 -5.754 1.00 0.00 C ATOM 1601 NE ARG A 100 -16.995 -10.688 -7.150 1.00 0.00 N ATOM 1602 CZ ARG A 100 -17.807 -11.149 -8.065 1.00 0.00 C ATOM 1603 NH1 ARG A 100 -18.685 -12.065 -7.755 1.00 0.00 N ATOM 1604 NH2 ARG A 100 -17.736 -10.695 -9.283 1.00 0.00 N ATOM 0 H ARG A 100 -12.183 -10.978 -5.845 1.00 0.00 H new ATOM 0 HA ARG A 100 -13.800 -9.069 -4.431 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -14.505 -10.497 -6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -14.495 -11.902 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -16.168 -10.764 -3.841 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -16.203 -9.395 -4.936 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -16.898 -12.270 -5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -18.081 -11.033 -5.357 1.00 0.00 H new ATOM 0 HE ARG A 100 -16.303 -9.980 -7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -18.736 -12.420 -6.800 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -19.319 -12.426 -8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -17.048 -9.981 -9.522 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -18.369 -11.053 -9.998 1.00 0.00 H new ATOM 1618 N ASN A 101 -13.140 -11.904 -2.866 1.00 0.00 N ATOM 1619 CA ASN A 101 -13.169 -12.523 -1.520 1.00 0.00 C ATOM 1620 C ASN A 101 -12.373 -11.585 -0.640 1.00 0.00 C ATOM 1621 O ASN A 101 -12.787 -11.212 0.432 1.00 0.00 O ATOM 1622 CB ASN A 101 -12.520 -13.914 -1.546 1.00 0.00 C ATOM 1623 CG ASN A 101 -13.491 -14.921 -2.172 1.00 0.00 C ATOM 1624 OD1 ASN A 101 -14.677 -14.675 -2.241 1.00 0.00 O ATOM 1625 ND2 ASN A 101 -13.031 -16.052 -2.633 1.00 0.00 N ATOM 0 H ASN A 101 -12.668 -12.447 -3.589 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.188 -12.662 -1.159 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -11.593 -13.883 -2.118 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.260 -14.224 -0.534 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.669 -16.729 -3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.034 -16.259 -2.575 1.00 0.00 H new ATOM 1632 N TRP A 102 -11.267 -11.095 -1.144 1.00 0.00 N ATOM 1633 CA TRP A 102 -10.494 -10.134 -0.335 1.00 0.00 C ATOM 1634 C TRP A 102 -11.325 -8.862 -0.040 1.00 0.00 C ATOM 1635 O TRP A 102 -11.415 -8.406 1.079 1.00 0.00 O ATOM 1636 CB TRP A 102 -9.205 -9.710 -1.058 1.00 0.00 C ATOM 1637 CG TRP A 102 -8.457 -8.785 -0.144 1.00 0.00 C ATOM 1638 CD1 TRP A 102 -7.590 -9.178 0.796 1.00 0.00 C ATOM 1639 CD2 TRP A 102 -8.572 -7.346 -0.010 1.00 0.00 C ATOM 1640 NE1 TRP A 102 -7.146 -8.075 1.504 1.00 0.00 N ATOM 1641 CE2 TRP A 102 -7.720 -6.916 1.042 1.00 0.00 C ATOM 1642 CE3 TRP A 102 -9.318 -6.377 -0.698 1.00 0.00 C ATOM 1643 CZ2 TRP A 102 -7.620 -5.566 1.402 1.00 0.00 C ATOM 1644 CZ3 TRP A 102 -9.223 -5.020 -0.342 1.00 0.00 C ATOM 1645 CH2 TRP A 102 -8.380 -4.615 0.700 1.00 0.00 C ATOM 0 H TRP A 102 -10.881 -11.319 -2.061 1.00 0.00 H new ATOM 0 HA TRP A 102 -10.243 -10.637 0.599 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.598 -10.582 -1.301 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -9.439 -9.212 -1.999 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.284 -10.198 0.975 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -6.477 -8.117 2.272 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.969 -6.675 -1.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.968 -5.260 2.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -9.805 -4.284 -0.877 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.314 -3.570 0.965 1.00 0.00 H new ATOM 1656 N LEU A 103 -11.904 -8.295 -1.079 1.00 0.00 N ATOM 1657 CA LEU A 103 -12.707 -7.040 -0.965 1.00 0.00 C ATOM 1658 C LEU A 103 -13.920 -7.264 -0.049 1.00 0.00 C ATOM 1659 O LEU A 103 -14.237 -6.435 0.783 1.00 0.00 O ATOM 1660 CB LEU A 103 -13.225 -6.653 -2.367 1.00 0.00 C ATOM 1661 CG LEU A 103 -14.066 -5.345 -2.315 1.00 0.00 C ATOM 1662 CD1 LEU A 103 -13.201 -4.167 -1.858 1.00 0.00 C ATOM 1663 CD2 LEU A 103 -14.625 -5.037 -3.710 1.00 0.00 C ATOM 0 H LEU A 103 -11.848 -8.667 -2.027 1.00 0.00 H new ATOM 0 HA LEU A 103 -12.078 -6.253 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.382 -6.520 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -13.833 -7.463 -2.770 1.00 0.00 H new ATOM 0 HG LEU A 103 -14.881 -5.487 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -13.806 -3.261 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -12.804 -4.371 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -12.376 -4.029 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -15.214 -4.121 -3.672 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -13.801 -4.910 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -15.258 -5.861 -4.039 1.00 0.00 H new ATOM 1675 N HIS A 104 -14.612 -8.359 -0.201 1.00 0.00 N ATOM 1676 CA HIS A 104 -15.809 -8.615 0.659 1.00 0.00 C ATOM 1677 C HIS A 104 -15.489 -9.377 1.961 1.00 0.00 C ATOM 1678 O HIS A 104 -16.375 -9.579 2.769 1.00 0.00 O ATOM 1679 CB HIS A 104 -16.826 -9.434 -0.144 1.00 0.00 C ATOM 1680 CG HIS A 104 -17.480 -8.560 -1.185 1.00 0.00 C ATOM 1681 ND1 HIS A 104 -18.753 -8.033 -1.016 1.00 0.00 N ATOM 1682 CD2 HIS A 104 -17.047 -8.116 -2.413 1.00 0.00 C ATOM 1683 CE1 HIS A 104 -19.043 -7.310 -2.119 1.00 0.00 C ATOM 1684 NE2 HIS A 104 -18.036 -7.329 -2.996 1.00 0.00 N ATOM 0 H HIS A 104 -14.403 -9.089 -0.882 1.00 0.00 H new ATOM 0 HA HIS A 104 -16.201 -7.640 0.948 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -16.329 -10.277 -0.624 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -17.582 -9.847 0.524 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -16.088 -8.343 -2.856 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -19.973 -6.782 -2.273 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -17.999 -6.864 -3.903 1.00 0.00 H new ATOM 1693 N LYS A 105 -14.274 -9.867 2.171 1.00 0.00 N ATOM 1694 CA LYS A 105 -13.992 -10.633 3.439 1.00 0.00 C ATOM 1695 C LYS A 105 -12.681 -10.206 4.105 1.00 0.00 C ATOM 1696 O LYS A 105 -12.608 -10.156 5.315 1.00 0.00 O ATOM 1697 CB LYS A 105 -13.993 -12.154 3.132 1.00 0.00 C ATOM 1698 CG LYS A 105 -14.645 -12.957 4.275 1.00 0.00 C ATOM 1699 CD LYS A 105 -14.737 -14.435 3.885 1.00 0.00 C ATOM 1700 CE LYS A 105 -15.861 -14.619 2.867 1.00 0.00 C ATOM 1701 NZ LYS A 105 -16.244 -16.057 2.814 1.00 0.00 N ATOM 0 H LYS A 105 -13.485 -9.771 1.532 1.00 0.00 H new ATOM 0 HA LYS A 105 -14.783 -10.404 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.531 -12.339 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.969 -12.497 2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.059 -12.848 5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.640 -12.565 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.790 -14.771 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.927 -15.045 4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.722 -14.011 3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.536 -14.281 1.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.009 -16.187 2.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.420 -16.625 2.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.570 -16.364 3.753 1.00 0.00 H new ATOM 1715 N ALA A 106 -11.636 -9.945 3.359 1.00 0.00 N ATOM 1716 CA ALA A 106 -10.330 -9.561 4.068 1.00 0.00 C ATOM 1717 C ALA A 106 -10.335 -8.083 4.459 1.00 0.00 C ATOM 1718 O ALA A 106 -9.324 -7.510 4.810 1.00 0.00 O ATOM 1719 CB ALA A 106 -9.097 -9.794 3.174 1.00 0.00 C ATOM 0 H ALA A 106 -11.605 -9.972 2.340 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.269 -10.196 4.952 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.195 -9.509 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.039 -10.848 2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -9.183 -9.190 2.271 1.00 0.00 H new ATOM 1725 N ASN A 107 -11.452 -7.474 4.349 1.00 0.00 N ATOM 1726 CA ASN A 107 -11.577 -6.023 4.671 1.00 0.00 C ATOM 1727 C ASN A 107 -11.281 -5.746 6.157 1.00 0.00 C ATOM 1728 O ASN A 107 -11.022 -4.619 6.528 1.00 0.00 O ATOM 1729 CB ASN A 107 -13.001 -5.561 4.340 1.00 0.00 C ATOM 1730 CG ASN A 107 -13.170 -4.086 4.730 1.00 0.00 C ATOM 1731 OD1 ASN A 107 -13.757 -3.781 5.751 1.00 0.00 O ATOM 1732 ND2 ASN A 107 -12.687 -3.154 3.957 1.00 0.00 N ATOM 0 H ASN A 107 -12.318 -7.917 4.042 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.848 -5.474 4.076 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -13.198 -5.691 3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -13.726 -6.174 4.875 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.802 -2.172 4.209 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -12.194 -3.407 3.100 1.00 0.00 H new ATOM 1739 N THR A 108 -11.299 -6.740 7.019 1.00 0.00 N ATOM 1740 CA THR A 108 -10.997 -6.455 8.462 1.00 0.00 C ATOM 1741 C THR A 108 -9.490 -6.192 8.637 1.00 0.00 C ATOM 1742 O THR A 108 -9.025 -5.086 8.440 1.00 0.00 O ATOM 1743 CB THR A 108 -11.402 -7.665 9.303 1.00 0.00 C ATOM 1744 OG1 THR A 108 -10.570 -8.768 8.974 1.00 0.00 O ATOM 1745 CG2 THR A 108 -12.864 -8.018 9.016 1.00 0.00 C ATOM 0 H THR A 108 -11.504 -7.713 6.794 1.00 0.00 H new ATOM 0 HA THR A 108 -11.553 -5.575 8.784 1.00 0.00 H new ATOM 0 HB THR A 108 -11.288 -7.430 10.361 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.827 -9.544 9.514 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.154 -8.881 9.615 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.500 -7.170 9.270 1.00 0.00 H new ATOM 0 HG23 THR A 108 -12.980 -8.255 7.958 1.00 0.00 H new ATOM 1753 N GLU A 109 -8.715 -7.192 8.983 1.00 0.00 N ATOM 1754 CA GLU A 109 -7.276 -6.999 9.155 1.00 0.00 C ATOM 1755 C GLU A 109 -6.545 -8.246 8.636 1.00 0.00 C ATOM 1756 O GLU A 109 -6.042 -9.044 9.400 1.00 0.00 O ATOM 1757 CB GLU A 109 -7.039 -6.836 10.659 1.00 0.00 C ATOM 1758 CG GLU A 109 -7.623 -5.498 11.149 1.00 0.00 C ATOM 1759 CD GLU A 109 -7.405 -5.332 12.658 1.00 0.00 C ATOM 1760 OE1 GLU A 109 -6.740 -6.171 13.238 1.00 0.00 O ATOM 1761 OE2 GLU A 109 -7.896 -4.358 13.204 1.00 0.00 O ATOM 0 H GLU A 109 -9.043 -8.143 9.152 1.00 0.00 H new ATOM 0 HA GLU A 109 -6.909 -6.130 8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -7.502 -7.662 11.199 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -5.971 -6.874 10.872 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.152 -4.673 10.615 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -8.689 -5.456 10.924 1.00 0.00 H new ATOM 1768 N SER A 110 -6.473 -8.423 7.344 1.00 0.00 N ATOM 1769 CA SER A 110 -5.761 -9.623 6.815 1.00 0.00 C ATOM 1770 C SER A 110 -4.794 -9.149 5.733 1.00 0.00 C ATOM 1771 O SER A 110 -5.194 -8.557 4.762 1.00 0.00 O ATOM 1772 CB SER A 110 -6.776 -10.594 6.206 1.00 0.00 C ATOM 1773 OG SER A 110 -7.689 -11.008 7.209 1.00 0.00 O ATOM 0 H SER A 110 -6.870 -7.799 6.641 1.00 0.00 H new ATOM 0 HA SER A 110 -5.223 -10.133 7.614 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.311 -10.113 5.387 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.262 -11.459 5.786 1.00 0.00 H new ATOM 0 HG SER A 110 -8.341 -11.629 6.822 1.00 0.00 H new ATOM 1779 N GLN A 111 -3.519 -9.379 5.926 1.00 0.00 N ATOM 1780 CA GLN A 111 -2.492 -8.931 4.926 1.00 0.00 C ATOM 1781 C GLN A 111 -1.412 -10.003 4.816 1.00 0.00 C ATOM 1782 O GLN A 111 -0.482 -9.958 5.578 1.00 0.00 O ATOM 1783 CB GLN A 111 -1.836 -7.658 5.459 1.00 0.00 C ATOM 1784 CG GLN A 111 -1.755 -7.685 6.995 1.00 0.00 C ATOM 1785 CD GLN A 111 -0.940 -6.497 7.514 1.00 0.00 C ATOM 1786 OE1 GLN A 111 -0.535 -5.644 6.750 1.00 0.00 O ATOM 1787 NE2 GLN A 111 -0.690 -6.400 8.787 1.00 0.00 N ATOM 0 H GLN A 111 -3.139 -9.862 6.740 1.00 0.00 H new ATOM 0 HA GLN A 111 -2.958 -8.758 3.956 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -0.835 -7.557 5.040 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -2.407 -6.787 5.136 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -2.759 -7.656 7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.297 -8.618 7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.030 -7.116 9.429 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -0.154 -5.608 9.143 1.00 0.00 H new ATOM 1796 N SER A 112 -1.475 -10.947 3.874 1.00 0.00 N ATOM 1797 CA SER A 112 -0.347 -11.949 3.810 1.00 0.00 C ATOM 1798 C SER A 112 -0.142 -12.388 2.348 1.00 0.00 C ATOM 1799 O SER A 112 -0.986 -12.976 1.706 1.00 0.00 O ATOM 1800 CB SER A 112 -0.741 -13.160 4.667 1.00 0.00 C ATOM 1801 OG SER A 112 -1.260 -12.727 5.912 1.00 0.00 O ATOM 0 H SER A 112 -2.219 -11.059 3.185 1.00 0.00 H new ATOM 0 HA SER A 112 0.580 -11.512 4.181 1.00 0.00 H new ATOM 0 HB2 SER A 112 -1.485 -13.760 4.143 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.127 -13.799 4.828 1.00 0.00 H new ATOM 0 HG SER A 112 -1.510 -13.506 6.451 1.00 0.00 H new ATOM 1807 N LEU A 113 1.037 -12.125 1.875 1.00 0.00 N ATOM 1808 CA LEU A 113 1.509 -12.488 0.507 1.00 0.00 C ATOM 1809 C LEU A 113 3.031 -12.456 0.665 1.00 0.00 C ATOM 1810 O LEU A 113 3.582 -11.373 0.714 1.00 0.00 O ATOM 1811 CB LEU A 113 1.079 -11.398 -0.524 1.00 0.00 C ATOM 1812 CG LEU A 113 1.458 -11.736 -1.976 1.00 0.00 C ATOM 1813 CD1 LEU A 113 1.042 -13.167 -2.327 1.00 0.00 C ATOM 1814 CD2 LEU A 113 0.783 -10.751 -2.941 1.00 0.00 C ATOM 0 H LEU A 113 1.746 -11.637 2.422 1.00 0.00 H new ATOM 0 HA LEU A 113 1.111 -13.439 0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.000 -11.258 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.539 -10.449 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 113 2.540 -11.653 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.320 -13.384 -3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.546 -13.866 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.037 -13.271 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.058 -11.000 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.299 -10.817 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 113 1.110 -9.737 -2.713 1.00 0.00 H new ATOM 1826 N ILE A 114 3.762 -13.533 0.537 1.00 0.00 N ATOM 1827 CA ILE A 114 5.236 -13.307 0.593 1.00 0.00 C ATOM 1828 C ILE A 114 5.314 -13.010 -0.910 1.00 0.00 C ATOM 1829 O ILE A 114 4.631 -13.666 -1.665 1.00 0.00 O ATOM 1830 CB ILE A 114 5.984 -14.586 1.094 1.00 0.00 C ATOM 1831 CG1 ILE A 114 5.579 -14.902 2.544 1.00 0.00 C ATOM 1832 CG2 ILE A 114 7.490 -14.410 1.037 1.00 0.00 C ATOM 1833 CD1 ILE A 114 6.114 -16.279 2.966 1.00 0.00 C ATOM 0 H ILE A 114 3.436 -14.491 0.406 1.00 0.00 H new ATOM 0 HA ILE A 114 5.675 -12.565 1.260 1.00 0.00 H new ATOM 0 HB ILE A 114 5.701 -15.407 0.435 1.00 0.00 H new ATOM 0 HG12 ILE A 114 5.969 -14.134 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.493 -14.884 2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.976 -15.318 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 114 7.795 -14.214 0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.782 -13.571 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.818 -16.485 3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.703 -17.046 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 114 7.202 -16.284 2.894 1.00 0.00 H new ATOM 1845 N LEU A 115 5.916 -11.913 -1.354 1.00 0.00 N ATOM 1846 CA LEU A 115 5.819 -11.620 -2.850 1.00 0.00 C ATOM 1847 C LEU A 115 7.014 -11.942 -3.731 1.00 0.00 C ATOM 1848 O LEU A 115 8.140 -12.187 -3.299 1.00 0.00 O ATOM 1849 CB LEU A 115 5.653 -10.102 -2.968 1.00 0.00 C ATOM 1850 CG LEU A 115 4.152 -9.651 -2.810 1.00 0.00 C ATOM 1851 CD1 LEU A 115 3.077 -8.572 -2.498 1.00 0.00 C ATOM 1852 CD2 LEU A 115 5.448 -8.922 -3.208 1.00 0.00 C ATOM 0 H LEU A 115 6.440 -11.243 -0.791 1.00 0.00 H new ATOM 0 HA LEU A 115 5.010 -12.260 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.259 -9.612 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.029 -9.772 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 115 3.306 -10.327 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.084 -9.012 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.219 -8.200 -1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.174 -7.747 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 115 5.228 -7.875 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.168 -8.988 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.868 -9.387 -4.100 1.00 0.00 H new ATOM 1864 N GLN A 116 6.760 -11.736 -4.972 1.00 0.00 N ATOM 1865 CA GLN A 116 7.776 -11.887 -5.994 1.00 0.00 C ATOM 1866 C GLN A 116 8.657 -10.685 -5.760 1.00 0.00 C ATOM 1867 O GLN A 116 8.075 -9.650 -5.668 1.00 0.00 O ATOM 1868 CB GLN A 116 7.111 -11.640 -7.347 1.00 0.00 C ATOM 1869 CG GLN A 116 8.143 -11.708 -8.478 1.00 0.00 C ATOM 1870 CD GLN A 116 7.436 -11.659 -9.834 1.00 0.00 C ATOM 1871 OE1 GLN A 116 6.563 -12.456 -10.105 1.00 0.00 O ATOM 1872 NE2 GLN A 116 7.774 -10.744 -10.699 1.00 0.00 N ATOM 0 H GLN A 116 5.845 -11.457 -5.326 1.00 0.00 H new ATOM 0 HA GLN A 116 8.279 -12.854 -5.971 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.330 -12.382 -7.515 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.628 -10.663 -7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 116 8.843 -10.877 -8.393 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.726 -12.625 -8.395 1.00 0.00 H new ATOM 0 HE21 GLN A 116 8.508 -10.073 -10.471 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.304 -10.699 -11.603 1.00 0.00 H new ATOM 1881 N ALA A 117 9.959 -10.751 -5.670 1.00 0.00 N ATOM 1882 CA ALA A 117 10.738 -9.472 -5.470 1.00 0.00 C ATOM 1883 C ALA A 117 10.705 -8.594 -6.749 1.00 0.00 C ATOM 1884 O ALA A 117 10.744 -9.116 -7.845 1.00 0.00 O ATOM 1885 CB ALA A 117 12.199 -9.785 -5.148 1.00 0.00 C ATOM 0 H ALA A 117 10.514 -11.605 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 117 10.274 -8.934 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 117 12.748 -8.854 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 117 12.251 -10.379 -4.236 1.00 0.00 H new ATOM 0 HB3 ALA A 117 12.641 -10.345 -5.972 1.00 0.00 H new ATOM 1891 N ASN A 118 10.606 -7.282 -6.634 1.00 0.00 N ATOM 1892 CA ASN A 118 10.549 -6.412 -7.846 1.00 0.00 C ATOM 1893 C ASN A 118 11.882 -6.502 -8.581 1.00 0.00 C ATOM 1894 O ASN A 118 12.943 -6.516 -7.987 1.00 0.00 O ATOM 1895 CB ASN A 118 10.317 -4.937 -7.464 1.00 0.00 C ATOM 1896 CG ASN A 118 10.105 -4.760 -5.956 1.00 0.00 C ATOM 1897 OD1 ASN A 118 10.899 -5.217 -5.159 1.00 0.00 O ATOM 1898 ND2 ASN A 118 9.047 -4.105 -5.526 1.00 0.00 N ATOM 0 H ASN A 118 10.563 -6.783 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 118 9.724 -6.753 -8.471 1.00 0.00 H new ATOM 0 HB2 ASN A 118 11.173 -4.341 -7.782 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.447 -4.556 -7.999 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.895 -3.982 -4.525 1.00 0.00 H new ATOM 0 HD22 ASN A 118 8.379 -3.720 -6.194 1.00 0.00 H new ATOM 1905 N GLU A 119 11.830 -6.578 -9.868 1.00 0.00 N ATOM 1906 CA GLU A 119 13.080 -6.690 -10.659 1.00 0.00 C ATOM 1907 C GLU A 119 13.967 -5.436 -10.514 1.00 0.00 C ATOM 1908 O GLU A 119 15.165 -5.560 -10.359 1.00 0.00 O ATOM 1909 CB GLU A 119 12.715 -6.908 -12.128 1.00 0.00 C ATOM 1910 CG GLU A 119 11.704 -5.845 -12.594 1.00 0.00 C ATOM 1911 CD GLU A 119 11.268 -6.135 -14.035 1.00 0.00 C ATOM 1912 OE1 GLU A 119 11.040 -7.291 -14.344 1.00 0.00 O ATOM 1913 OE2 GLU A 119 11.172 -5.190 -14.802 1.00 0.00 O ATOM 0 H GLU A 119 10.970 -6.568 -10.416 1.00 0.00 H new ATOM 0 HA GLU A 119 13.654 -7.536 -10.281 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.613 -6.859 -12.743 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.292 -7.904 -12.260 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.835 -5.843 -11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 119 12.152 -4.853 -12.533 1.00 0.00 H new ATOM 1920 N GLU A 120 13.435 -4.234 -10.590 1.00 0.00 N ATOM 1921 CA GLU A 120 14.356 -3.046 -10.476 1.00 0.00 C ATOM 1922 C GLU A 120 14.489 -2.658 -9.009 1.00 0.00 C ATOM 1923 O GLU A 120 13.877 -1.711 -8.560 1.00 0.00 O ATOM 1924 CB GLU A 120 13.807 -1.826 -11.286 1.00 0.00 C ATOM 1925 CG GLU A 120 13.857 -2.044 -12.839 1.00 0.00 C ATOM 1926 CD GLU A 120 13.240 -0.868 -13.552 1.00 0.00 C ATOM 1927 OE1 GLU A 120 12.952 0.082 -12.874 1.00 0.00 O ATOM 1928 OE2 GLU A 120 13.062 -0.938 -14.757 1.00 0.00 O ATOM 0 H GLU A 120 12.445 -4.025 -10.721 1.00 0.00 H new ATOM 0 HA GLU A 120 15.328 -3.320 -10.887 1.00 0.00 H new ATOM 0 HB2 GLU A 120 12.777 -1.632 -10.986 1.00 0.00 H new ATOM 0 HB3 GLU A 120 14.386 -0.938 -11.031 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.890 -2.173 -13.162 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.324 -2.958 -13.102 1.00 0.00 H new ATOM 1935 N LEU A 121 15.288 -3.361 -8.243 1.00 0.00 N ATOM 1936 CA LEU A 121 15.416 -2.968 -6.786 1.00 0.00 C ATOM 1937 C LEU A 121 16.364 -1.773 -6.584 1.00 0.00 C ATOM 1938 O LEU A 121 16.258 -1.055 -5.609 1.00 0.00 O ATOM 1939 CB LEU A 121 15.880 -4.202 -5.969 1.00 0.00 C ATOM 1940 CG LEU A 121 14.973 -5.422 -6.243 1.00 0.00 C ATOM 1941 CD1 LEU A 121 15.513 -6.650 -5.513 1.00 0.00 C ATOM 1942 CD2 LEU A 121 13.556 -5.123 -5.747 1.00 0.00 C ATOM 0 H LEU A 121 15.843 -4.164 -8.540 1.00 0.00 H new ATOM 0 HA LEU A 121 14.440 -2.641 -6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 121 16.911 -4.446 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 121 15.865 -3.965 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 121 14.957 -5.620 -7.315 1.00 0.00 H new ATOM 0 HD11 LEU A 121 14.867 -7.505 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 121 16.522 -6.868 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 121 15.536 -6.455 -4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 121 12.914 -5.983 -5.939 1.00 0.00 H new ATOM 0 HD22 LEU A 121 13.580 -4.921 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 121 13.163 -4.252 -6.272 1.00 0.00 H new