USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 791 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 35 ASN : amide:sc= 0.73 K(o=1.5,f=-2.7) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -174:sc= 0.808 (180deg=-0.109) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -169:sc= 1.28 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.86 K(o=1.9,f=-5!) USER MOD Single : A 25 LYS NZ :NH3+ -166:sc=-0.000788 (180deg=-0.212) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 141:sc= 1.24 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 8:sc= -0.441 USER MOD Single : A 42 MET CE :methyl 164:sc= 0 (180deg=-0.284) USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.029) USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.157) USER MOD Single : A 45 THR OG1 : rot 158:sc= 0.787 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= 0.936 (180deg=0.591) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 1 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 63 TYR OH : rot 30:sc= 0.466 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 85 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0579) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.555 -14.407 -3.960 1.00 0.00 N ATOM 2 CA GLY A 1 10.246 -13.310 -3.023 1.00 0.00 C ATOM 3 C GLY A 1 9.718 -12.078 -3.758 1.00 0.00 C ATOM 4 O GLY A 1 10.423 -11.079 -3.908 1.00 0.00 O ATOM 0 H1 GLY A 1 10.911 -15.227 -3.429 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.693 -14.676 -4.476 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.279 -14.092 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.506 -13.647 -2.298 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.143 -13.045 -2.463 1.00 0.00 H new ATOM 10 N GLU A 2 8.476 -12.171 -4.239 1.00 0.00 N ATOM 11 CA GLU A 2 7.762 -11.106 -4.918 1.00 0.00 C ATOM 12 C GLU A 2 6.279 -11.481 -4.918 1.00 0.00 C ATOM 13 O GLU A 2 5.961 -12.659 -4.764 1.00 0.00 O ATOM 14 CB GLU A 2 8.315 -10.909 -6.337 1.00 0.00 C ATOM 15 CG GLU A 2 8.276 -12.179 -7.198 1.00 0.00 C ATOM 16 CD GLU A 2 8.810 -11.899 -8.599 1.00 0.00 C ATOM 17 OE1 GLU A 2 8.206 -11.033 -9.270 1.00 0.00 O ATOM 18 OE2 GLU A 2 9.813 -12.545 -8.970 1.00 0.00 O ATOM 0 H GLU A 2 7.926 -13.026 -4.159 1.00 0.00 H new ATOM 0 HA GLU A 2 7.893 -10.152 -4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.743 -10.126 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.345 -10.558 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.870 -12.962 -6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.253 -12.550 -7.261 1.00 0.00 H new ATOM 25 N TRP A 3 5.398 -10.483 -5.057 1.00 0.00 N ATOM 26 CA TRP A 3 3.956 -10.603 -4.863 1.00 0.00 C ATOM 27 C TRP A 3 3.616 -11.544 -3.705 1.00 0.00 C ATOM 28 O TRP A 3 2.882 -12.519 -3.855 1.00 0.00 O ATOM 29 CB TRP A 3 3.230 -10.922 -6.176 1.00 0.00 C ATOM 30 CG TRP A 3 2.905 -9.750 -7.057 1.00 0.00 C ATOM 31 CD1 TRP A 3 3.097 -9.698 -8.395 1.00 0.00 C ATOM 32 CD2 TRP A 3 2.314 -8.460 -6.693 1.00 0.00 C ATOM 33 NE1 TRP A 3 2.706 -8.465 -8.874 1.00 0.00 N ATOM 34 CE2 TRP A 3 2.242 -7.648 -7.864 1.00 0.00 C ATOM 35 CE3 TRP A 3 1.870 -7.873 -5.487 1.00 0.00 C ATOM 36 CZ2 TRP A 3 1.775 -6.325 -7.835 1.00 0.00 C ATOM 37 CZ3 TRP A 3 1.486 -6.522 -5.429 1.00 0.00 C ATOM 38 CH2 TRP A 3 1.411 -5.754 -6.604 1.00 0.00 C ATOM 0 H TRP A 3 5.684 -9.539 -5.317 1.00 0.00 H new ATOM 0 HA TRP A 3 3.572 -9.630 -4.558 1.00 0.00 H new ATOM 0 HB2 TRP A 3 3.844 -11.619 -6.746 1.00 0.00 H new ATOM 0 HB3 TRP A 3 2.300 -11.438 -5.937 1.00 0.00 H new ATOM 0 HD1 TRP A 3 3.496 -10.501 -8.997 1.00 0.00 H new ATOM 0 HE1 TRP A 3 2.754 -8.191 -9.855 1.00 0.00 H new ATOM 0 HE3 TRP A 3 1.825 -8.475 -4.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.696 -5.753 -8.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.247 -6.072 -4.477 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.075 -4.729 -6.561 1.00 0.00 H new ATOM 49 N GLU A 4 4.159 -11.216 -2.532 1.00 0.00 N ATOM 50 CA GLU A 4 3.995 -11.988 -1.319 1.00 0.00 C ATOM 51 C GLU A 4 2.988 -11.271 -0.422 1.00 0.00 C ATOM 52 O GLU A 4 2.946 -10.038 -0.395 1.00 0.00 O ATOM 53 CB GLU A 4 5.358 -12.216 -0.656 1.00 0.00 C ATOM 54 CG GLU A 4 6.213 -10.953 -0.484 1.00 0.00 C ATOM 55 CD GLU A 4 7.591 -11.299 0.066 1.00 0.00 C ATOM 56 OE1 GLU A 4 8.408 -11.804 -0.733 1.00 0.00 O ATOM 57 OE2 GLU A 4 7.807 -11.047 1.271 1.00 0.00 O ATOM 0 H GLU A 4 4.737 -10.385 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 4 3.596 -12.980 -1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.198 -12.665 0.324 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.918 -12.938 -1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.317 -10.446 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.712 -10.259 0.191 1.00 0.00 H new ATOM 64 N ILE A 5 2.161 -12.053 0.278 1.00 0.00 N ATOM 65 CA ILE A 5 1.151 -11.542 1.188 1.00 0.00 C ATOM 66 C ILE A 5 1.860 -11.143 2.483 1.00 0.00 C ATOM 67 O ILE A 5 2.761 -11.853 2.928 1.00 0.00 O ATOM 68 CB ILE A 5 0.047 -12.588 1.447 1.00 0.00 C ATOM 69 CG1 ILE A 5 -0.453 -13.276 0.160 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.161 -11.964 2.158 1.00 0.00 C ATOM 71 CD1 ILE A 5 0.163 -14.664 -0.043 1.00 0.00 C ATOM 0 H ILE A 5 2.180 -13.071 0.223 1.00 0.00 H new ATOM 0 HA ILE A 5 0.652 -10.677 0.751 1.00 0.00 H new ATOM 0 HB ILE A 5 0.514 -13.341 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.539 -13.366 0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.216 -12.648 -0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.920 -12.729 2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.846 -11.550 3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.577 -11.169 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.223 -15.103 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.247 -14.574 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.096 -15.304 0.801 1.00 0.00 H new ATOM 83 N ILE A 6 1.455 -10.025 3.084 1.00 0.00 N ATOM 84 CA ILE A 6 1.919 -9.589 4.389 1.00 0.00 C ATOM 85 C ILE A 6 0.761 -9.627 5.386 1.00 0.00 C ATOM 86 O ILE A 6 -0.406 -9.559 5.003 1.00 0.00 O ATOM 87 CB ILE A 6 2.549 -8.191 4.291 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.576 -7.134 3.734 1.00 0.00 C ATOM 89 CG2 ILE A 6 3.837 -8.262 3.461 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.157 -5.719 3.795 1.00 0.00 C ATOM 0 H ILE A 6 0.780 -9.387 2.663 1.00 0.00 H new ATOM 0 HA ILE A 6 2.693 -10.267 4.749 1.00 0.00 H new ATOM 0 HB ILE A 6 2.792 -7.865 5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.330 -7.379 2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.645 -7.167 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.281 -7.269 3.393 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.541 -8.943 3.939 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.605 -8.625 2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.433 -5.011 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.378 -5.461 4.831 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.074 -5.676 3.207 1.00 0.00 H new ATOM 102 N ASP A 7 1.088 -9.738 6.675 1.00 0.00 N ATOM 103 CA ASP A 7 0.105 -9.705 7.742 1.00 0.00 C ATOM 104 C ASP A 7 -0.462 -8.300 7.876 1.00 0.00 C ATOM 105 O ASP A 7 0.092 -7.326 7.368 1.00 0.00 O ATOM 106 CB ASP A 7 0.753 -10.078 9.083 1.00 0.00 C ATOM 107 CG ASP A 7 1.392 -11.460 9.057 1.00 0.00 C ATOM 108 OD1 ASP A 7 2.562 -11.529 8.620 1.00 0.00 O ATOM 109 OD2 ASP A 7 0.699 -12.417 9.463 1.00 0.00 O ATOM 0 H ASP A 7 2.047 -9.853 7.002 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.682 -10.418 7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.510 -9.336 9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.001 -10.045 9.869 1.00 0.00 H new ATOM 114 N ILE A 8 -1.547 -8.209 8.635 1.00 0.00 N ATOM 115 CA ILE A 8 -2.089 -6.992 9.167 1.00 0.00 C ATOM 116 C ILE A 8 -1.639 -6.905 10.632 1.00 0.00 C ATOM 117 O ILE A 8 -1.151 -7.885 11.193 1.00 0.00 O ATOM 118 CB ILE A 8 -3.606 -7.008 8.945 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.338 -8.342 9.199 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.876 -6.580 7.494 1.00 0.00 C ATOM 121 CD1 ILE A 8 -4.215 -8.863 10.633 1.00 0.00 C ATOM 0 H ILE A 8 -2.090 -9.030 8.902 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.730 -6.089 8.673 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.007 -6.327 9.696 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.394 -8.215 8.960 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.945 -9.095 8.516 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.950 -6.582 7.308 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.482 -5.577 7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.388 -7.277 6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -4.758 -9.804 10.726 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.164 -9.025 10.872 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.636 -8.132 11.323 1.00 0.00 H new ATOM 133 N GLY A 9 -1.744 -5.724 11.239 1.00 0.00 N ATOM 134 CA GLY A 9 -1.156 -5.421 12.537 1.00 0.00 C ATOM 135 C GLY A 9 -0.630 -3.982 12.544 1.00 0.00 C ATOM 136 O GLY A 9 -0.842 -3.258 11.567 1.00 0.00 O ATOM 0 H GLY A 9 -2.251 -4.938 10.832 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -1.900 -5.550 13.323 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.344 -6.116 12.750 1.00 0.00 H new ATOM 140 N PRO A 10 0.056 -3.560 13.620 1.00 0.00 N ATOM 141 CA PRO A 10 0.485 -2.181 13.820 1.00 0.00 C ATOM 142 C PRO A 10 1.377 -1.677 12.682 1.00 0.00 C ATOM 143 O PRO A 10 1.195 -0.560 12.213 1.00 0.00 O ATOM 144 CB PRO A 10 1.183 -2.142 15.183 1.00 0.00 C ATOM 145 CG PRO A 10 1.555 -3.599 15.458 1.00 0.00 C ATOM 146 CD PRO A 10 0.441 -4.377 14.760 1.00 0.00 C ATOM 0 HA PRO A 10 -0.368 -1.503 13.809 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.066 -1.503 15.160 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.524 -1.747 15.956 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.536 -3.848 15.053 1.00 0.00 H new ATOM 0 HG3 PRO A 10 1.588 -3.812 16.526 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.789 -5.359 14.440 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.403 -4.540 15.430 1.00 0.00 H new ATOM 154 N PHE A 11 2.327 -2.497 12.224 1.00 0.00 N ATOM 155 CA PHE A 11 3.167 -2.188 11.073 1.00 0.00 C ATOM 156 C PHE A 11 2.313 -1.774 9.869 1.00 0.00 C ATOM 157 O PHE A 11 2.456 -0.685 9.310 1.00 0.00 O ATOM 158 CB PHE A 11 4.031 -3.414 10.742 1.00 0.00 C ATOM 159 CG PHE A 11 4.779 -3.320 9.427 1.00 0.00 C ATOM 160 CD1 PHE A 11 5.923 -2.508 9.321 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.311 -4.018 8.296 1.00 0.00 C ATOM 162 CE1 PHE A 11 6.616 -2.423 8.100 1.00 0.00 C ATOM 163 CE2 PHE A 11 5.006 -3.935 7.078 1.00 0.00 C ATOM 164 CZ PHE A 11 6.167 -3.148 6.984 1.00 0.00 C ATOM 0 H PHE A 11 2.533 -3.401 12.649 1.00 0.00 H new ATOM 0 HA PHE A 11 3.816 -1.346 11.314 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.752 -3.562 11.546 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.393 -4.297 10.720 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.269 -1.949 10.178 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.416 -4.618 8.366 1.00 0.00 H new ATOM 0 HE1 PHE A 11 7.494 -1.800 8.021 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.648 -4.476 6.214 1.00 0.00 H new ATOM 0 HZ PHE A 11 6.714 -3.101 6.054 1.00 0.00 H new ATOM 174 N THR A 12 1.414 -2.665 9.459 1.00 0.00 N ATOM 175 CA THR A 12 0.647 -2.510 8.244 1.00 0.00 C ATOM 176 C THR A 12 -0.310 -1.331 8.388 1.00 0.00 C ATOM 177 O THR A 12 -0.465 -0.529 7.468 1.00 0.00 O ATOM 178 CB THR A 12 -0.062 -3.841 7.973 1.00 0.00 C ATOM 179 OG1 THR A 12 0.720 -4.900 8.503 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.288 -4.055 6.475 1.00 0.00 C ATOM 0 H THR A 12 1.202 -3.521 9.972 1.00 0.00 H new ATOM 0 HA THR A 12 1.280 -2.280 7.387 1.00 0.00 H new ATOM 0 HB THR A 12 -1.039 -3.821 8.457 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.370 -5.757 8.183 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.793 -5.008 6.316 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.905 -3.247 6.081 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.672 -4.063 5.960 1.00 0.00 H new ATOM 188 N GLN A 13 -0.929 -1.210 9.567 1.00 0.00 N ATOM 189 CA GLN A 13 -1.725 -0.060 9.930 1.00 0.00 C ATOM 190 C GLN A 13 -0.906 1.208 9.744 1.00 0.00 C ATOM 191 O GLN A 13 -1.347 2.087 9.018 1.00 0.00 O ATOM 192 CB GLN A 13 -2.222 -0.231 11.369 1.00 0.00 C ATOM 193 CG GLN A 13 -3.318 -1.303 11.473 1.00 0.00 C ATOM 194 CD GLN A 13 -3.594 -1.741 12.908 1.00 0.00 C ATOM 195 OE1 GLN A 13 -2.977 -1.266 13.854 1.00 0.00 O ATOM 196 NE2 GLN A 13 -4.528 -2.671 13.087 1.00 0.00 N ATOM 0 H GLN A 13 -0.883 -1.922 10.296 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.599 0.024 9.284 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.385 -0.504 12.012 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.609 0.720 11.735 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.238 -0.917 11.034 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.024 -2.172 10.884 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.029 -3.052 12.284 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.743 -3.003 14.027 1.00 0.00 H new ATOM 205 N ASN A 14 0.283 1.297 10.340 1.00 0.00 N ATOM 206 CA ASN A 14 1.142 2.471 10.225 1.00 0.00 C ATOM 207 C ASN A 14 1.344 2.852 8.757 1.00 0.00 C ATOM 208 O ASN A 14 1.102 3.996 8.375 1.00 0.00 O ATOM 209 CB ASN A 14 2.481 2.228 10.933 1.00 0.00 C ATOM 210 CG ASN A 14 3.375 3.466 10.930 1.00 0.00 C ATOM 211 OD1 ASN A 14 2.916 4.587 10.743 1.00 0.00 O ATOM 212 ND2 ASN A 14 4.673 3.277 11.150 1.00 0.00 N ATOM 0 H ASN A 14 0.677 0.554 10.917 1.00 0.00 H new ATOM 0 HA ASN A 14 0.652 3.311 10.718 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.294 1.921 11.962 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.003 1.405 10.444 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.309 4.074 11.166 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.032 2.335 11.303 1.00 0.00 H new ATOM 219 N LEU A 15 1.721 1.886 7.911 1.00 0.00 N ATOM 220 CA LEU A 15 1.867 2.152 6.480 1.00 0.00 C ATOM 221 C LEU A 15 0.561 2.690 5.889 1.00 0.00 C ATOM 222 O LEU A 15 0.552 3.723 5.220 1.00 0.00 O ATOM 223 CB LEU A 15 2.330 0.899 5.725 1.00 0.00 C ATOM 224 CG LEU A 15 3.765 0.455 6.054 1.00 0.00 C ATOM 225 CD1 LEU A 15 4.092 -0.783 5.212 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.795 1.547 5.735 1.00 0.00 C ATOM 0 H LEU A 15 1.927 0.927 8.190 1.00 0.00 H new ATOM 0 HA LEU A 15 2.636 2.916 6.362 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.648 0.080 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.257 1.087 4.654 1.00 0.00 H new ATOM 0 HG LEU A 15 3.818 0.243 7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.107 -1.114 5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.390 -1.582 5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.012 -0.535 4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.794 1.189 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.750 1.790 4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.573 2.439 6.321 1.00 0.00 H new ATOM 238 N GLY A 16 -0.553 2.009 6.157 1.00 0.00 N ATOM 239 CA GLY A 16 -1.868 2.452 5.712 1.00 0.00 C ATOM 240 C GLY A 16 -2.215 3.854 6.230 1.00 0.00 C ATOM 241 O GLY A 16 -2.882 4.635 5.552 1.00 0.00 O ATOM 0 H GLY A 16 -0.566 1.138 6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.900 2.451 4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.623 1.744 6.054 1.00 0.00 H new ATOM 245 N LYS A 17 -1.762 4.183 7.438 1.00 0.00 N ATOM 246 CA LYS A 17 -2.094 5.411 8.121 1.00 0.00 C ATOM 247 C LYS A 17 -1.338 6.527 7.423 1.00 0.00 C ATOM 248 O LYS A 17 -1.919 7.540 7.062 1.00 0.00 O ATOM 249 CB LYS A 17 -1.715 5.311 9.610 1.00 0.00 C ATOM 250 CG LYS A 17 -2.749 5.982 10.515 1.00 0.00 C ATOM 251 CD LYS A 17 -2.940 7.436 10.088 1.00 0.00 C ATOM 252 CE LYS A 17 -3.777 8.203 11.116 1.00 0.00 C ATOM 253 NZ LYS A 17 -4.011 9.592 10.686 1.00 0.00 N ATOM 0 H LYS A 17 -1.138 3.580 7.975 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.165 5.609 8.083 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.617 4.262 9.889 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.741 5.775 9.767 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.698 5.448 10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.421 5.938 11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.968 7.916 9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.430 7.472 9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.733 7.699 11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.267 8.199 12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.580 10.086 11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.099 10.079 10.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.519 9.594 9.779 1.00 0.00 H new ATOM 267 N PHE A 18 -0.044 6.305 7.200 1.00 0.00 N ATOM 268 CA PHE A 18 0.797 7.142 6.363 1.00 0.00 C ATOM 269 C PHE A 18 0.151 7.352 4.992 1.00 0.00 C ATOM 270 O PHE A 18 0.069 8.483 4.521 1.00 0.00 O ATOM 271 CB PHE A 18 2.208 6.536 6.272 1.00 0.00 C ATOM 272 CG PHE A 18 2.938 6.798 4.968 1.00 0.00 C ATOM 273 CD1 PHE A 18 3.333 8.106 4.628 1.00 0.00 C ATOM 274 CD2 PHE A 18 3.063 5.763 4.023 1.00 0.00 C ATOM 275 CE1 PHE A 18 3.861 8.373 3.352 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.594 6.030 2.753 1.00 0.00 C ATOM 277 CZ PHE A 18 3.991 7.333 2.414 1.00 0.00 C ATOM 0 H PHE A 18 0.456 5.516 7.610 1.00 0.00 H new ATOM 0 HA PHE A 18 0.897 8.130 6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.809 6.929 7.092 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.134 5.458 6.419 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.230 8.905 5.348 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.749 4.761 4.276 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.166 9.376 3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.698 5.231 2.034 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.396 7.537 1.434 1.00 0.00 H new ATOM 287 N ALA A 19 -0.330 6.279 4.361 1.00 0.00 N ATOM 288 CA ALA A 19 -0.951 6.368 3.048 1.00 0.00 C ATOM 289 C ALA A 19 -2.124 7.349 3.088 1.00 0.00 C ATOM 290 O ALA A 19 -2.179 8.307 2.315 1.00 0.00 O ATOM 291 CB ALA A 19 -1.375 4.977 2.567 1.00 0.00 C ATOM 0 H ALA A 19 -0.298 5.335 4.745 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.228 6.752 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.838 5.058 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.499 4.331 2.504 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.090 4.551 3.271 1.00 0.00 H new ATOM 297 N VAL A 20 -3.042 7.128 4.028 1.00 0.00 N ATOM 298 CA VAL A 20 -4.194 8.009 4.206 1.00 0.00 C ATOM 299 C VAL A 20 -3.743 9.423 4.587 1.00 0.00 C ATOM 300 O VAL A 20 -4.310 10.404 4.113 1.00 0.00 O ATOM 301 CB VAL A 20 -5.183 7.419 5.224 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.301 8.421 5.555 1.00 0.00 C ATOM 303 CG2 VAL A 20 -5.836 6.161 4.634 1.00 0.00 C ATOM 0 H VAL A 20 -3.009 6.344 4.679 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.723 8.086 3.256 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.627 7.183 6.131 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.986 7.977 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.865 9.326 5.978 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.846 8.672 4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.537 5.742 5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.369 6.422 3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.066 5.424 4.407 1.00 0.00 H new ATOM 313 N ASP A 21 -2.730 9.552 5.443 1.00 0.00 N ATOM 314 CA ASP A 21 -2.230 10.836 5.896 1.00 0.00 C ATOM 315 C ASP A 21 -1.726 11.641 4.702 1.00 0.00 C ATOM 316 O ASP A 21 -2.095 12.797 4.539 1.00 0.00 O ATOM 317 CB ASP A 21 -1.139 10.639 6.953 1.00 0.00 C ATOM 318 CG ASP A 21 -0.556 11.979 7.386 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.205 12.628 8.235 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.520 12.330 6.857 1.00 0.00 O ATOM 0 H ASP A 21 -2.233 8.756 5.842 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.038 11.399 6.364 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.554 10.121 7.818 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.348 10.006 6.552 1.00 0.00 H new ATOM 325 N GLU A 22 -0.918 11.016 3.847 1.00 0.00 N ATOM 326 CA GLU A 22 -0.420 11.602 2.614 1.00 0.00 C ATOM 327 C GLU A 22 -1.601 11.998 1.722 1.00 0.00 C ATOM 328 O GLU A 22 -1.687 13.126 1.239 1.00 0.00 O ATOM 329 CB GLU A 22 0.506 10.584 1.924 1.00 0.00 C ATOM 330 CG GLU A 22 1.181 11.140 0.662 1.00 0.00 C ATOM 331 CD GLU A 22 2.129 12.289 0.986 1.00 0.00 C ATOM 332 OE1 GLU A 22 3.236 11.984 1.478 1.00 0.00 O ATOM 333 OE2 GLU A 22 1.727 13.447 0.743 1.00 0.00 O ATOM 0 H GLU A 22 -0.586 10.064 4.001 1.00 0.00 H new ATOM 0 HA GLU A 22 0.154 12.506 2.818 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.274 10.265 2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.071 9.698 1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.733 10.343 0.164 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.418 11.484 -0.036 1.00 0.00 H new ATOM 340 N GLU A 23 -2.528 11.060 1.519 1.00 0.00 N ATOM 341 CA GLU A 23 -3.714 11.274 0.709 1.00 0.00 C ATOM 342 C GLU A 23 -4.481 12.511 1.185 1.00 0.00 C ATOM 343 O GLU A 23 -4.916 13.326 0.373 1.00 0.00 O ATOM 344 CB GLU A 23 -4.595 10.028 0.796 1.00 0.00 C ATOM 345 CG GLU A 23 -5.690 10.047 -0.269 1.00 0.00 C ATOM 346 CD GLU A 23 -6.680 8.911 -0.074 1.00 0.00 C ATOM 347 OE1 GLU A 23 -6.492 8.145 0.896 1.00 0.00 O ATOM 348 OE2 GLU A 23 -7.618 8.850 -0.894 1.00 0.00 O ATOM 0 H GLU A 23 -2.470 10.124 1.919 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.422 11.447 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.980 9.136 0.673 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.048 9.969 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.217 11.000 -0.232 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.238 9.971 -1.258 1.00 0.00 H new ATOM 355 N ASN A 24 -4.649 12.636 2.503 1.00 0.00 N ATOM 356 CA ASN A 24 -5.332 13.728 3.165 1.00 0.00 C ATOM 357 C ASN A 24 -4.516 15.014 3.060 1.00 0.00 C ATOM 358 O ASN A 24 -5.086 16.085 2.868 1.00 0.00 O ATOM 359 CB ASN A 24 -5.528 13.363 4.639 1.00 0.00 C ATOM 360 CG ASN A 24 -6.659 12.375 4.905 1.00 0.00 C ATOM 361 OD1 ASN A 24 -7.410 11.983 4.016 1.00 0.00 O ATOM 362 ND2 ASN A 24 -6.811 11.985 6.167 1.00 0.00 N ATOM 0 H ASN A 24 -4.293 11.942 3.160 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.297 13.893 2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.598 12.942 5.022 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.721 14.276 5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.565 11.345 6.416 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.173 12.326 6.886 1.00 0.00 H new ATOM 369 N LYS A 25 -3.190 14.915 3.196 1.00 0.00 N ATOM 370 CA LYS A 25 -2.281 16.045 3.073 1.00 0.00 C ATOM 371 C LYS A 25 -2.453 16.672 1.688 1.00 0.00 C ATOM 372 O LYS A 25 -2.568 17.888 1.559 1.00 0.00 O ATOM 373 CB LYS A 25 -0.837 15.569 3.314 1.00 0.00 C ATOM 374 CG LYS A 25 0.185 16.696 3.515 1.00 0.00 C ATOM 375 CD LYS A 25 0.061 17.324 4.913 1.00 0.00 C ATOM 376 CE LYS A 25 1.201 18.308 5.201 1.00 0.00 C ATOM 377 NZ LYS A 25 2.511 17.633 5.275 1.00 0.00 N ATOM 0 H LYS A 25 -2.718 14.034 3.397 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.507 16.805 3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.823 14.924 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.524 14.960 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.193 16.304 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.036 17.463 2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.895 17.842 4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.062 16.536 5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.229 19.068 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.006 18.824 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.210 18.276 5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.428 16.778 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.820 17.369 4.318 1.00 0.00 H new ATOM 391 N ILE A 26 -2.492 15.827 0.654 1.00 0.00 N ATOM 392 CA ILE A 26 -2.831 16.240 -0.702 1.00 0.00 C ATOM 393 C ILE A 26 -4.288 16.724 -0.737 1.00 0.00 C ATOM 394 O ILE A 26 -4.601 17.726 -1.377 1.00 0.00 O ATOM 395 CB ILE A 26 -2.579 15.071 -1.677 1.00 0.00 C ATOM 396 CG1 ILE A 26 -1.080 14.710 -1.701 1.00 0.00 C ATOM 397 CG2 ILE A 26 -3.060 15.424 -3.094 1.00 0.00 C ATOM 398 CD1 ILE A 26 -0.813 13.347 -2.348 1.00 0.00 C ATOM 0 H ILE A 26 -2.287 14.831 0.740 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.199 17.070 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.147 14.209 -1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.533 15.480 -2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.695 14.706 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.871 14.584 -3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.129 15.638 -3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.522 16.301 -3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.258 13.143 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.335 12.570 -1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.171 13.356 -3.377 1.00 0.00 H new ATOM 410 N GLY A 27 -5.184 15.984 -0.080 1.00 0.00 N ATOM 411 CA GLY A 27 -6.619 16.190 -0.105 1.00 0.00 C ATOM 412 C GLY A 27 -7.243 15.423 -1.266 1.00 0.00 C ATOM 413 O GLY A 27 -8.322 15.782 -1.734 1.00 0.00 O ATOM 0 H GLY A 27 -4.910 15.195 0.505 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.057 15.859 0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.839 17.253 -0.202 1.00 0.00 H new ATOM 417 N GLN A 28 -6.577 14.355 -1.724 1.00 0.00 N ATOM 418 CA GLN A 28 -6.924 13.657 -2.958 1.00 0.00 C ATOM 419 C GLN A 28 -8.368 13.148 -2.927 1.00 0.00 C ATOM 420 O GLN A 28 -9.050 13.160 -3.950 1.00 0.00 O ATOM 421 CB GLN A 28 -5.918 12.526 -3.205 1.00 0.00 C ATOM 422 CG GLN A 28 -6.075 11.896 -4.595 1.00 0.00 C ATOM 423 CD GLN A 28 -5.033 10.804 -4.831 1.00 0.00 C ATOM 424 OE1 GLN A 28 -5.066 9.757 -4.195 1.00 0.00 O ATOM 425 NE2 GLN A 28 -4.094 11.039 -5.747 1.00 0.00 N ATOM 0 H GLN A 28 -5.775 13.951 -1.240 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.866 14.357 -3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.905 12.915 -3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.047 11.756 -2.444 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.075 11.475 -4.695 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.976 12.667 -5.359 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.092 11.920 -6.261 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.377 10.338 -5.934 1.00 0.00 H new ATOM 434 N TYR A 29 -8.828 12.728 -1.748 1.00 0.00 N ATOM 435 CA TYR A 29 -10.228 12.411 -1.488 1.00 0.00 C ATOM 436 C TYR A 29 -10.671 13.156 -0.224 1.00 0.00 C ATOM 437 O TYR A 29 -11.323 12.605 0.661 1.00 0.00 O ATOM 438 CB TYR A 29 -10.414 10.896 -1.366 1.00 0.00 C ATOM 439 CG TYR A 29 -10.484 10.118 -2.671 1.00 0.00 C ATOM 440 CD1 TYR A 29 -9.309 9.744 -3.349 1.00 0.00 C ATOM 441 CD2 TYR A 29 -11.727 9.634 -3.125 1.00 0.00 C ATOM 442 CE1 TYR A 29 -9.371 8.851 -4.434 1.00 0.00 C ATOM 443 CE2 TYR A 29 -11.788 8.739 -4.209 1.00 0.00 C ATOM 444 CZ TYR A 29 -10.605 8.316 -4.838 1.00 0.00 C ATOM 445 OH TYR A 29 -10.646 7.321 -5.770 1.00 0.00 O ATOM 0 H TYR A 29 -8.226 12.597 -0.935 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.855 12.738 -2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.591 10.497 -0.774 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -11.330 10.708 -0.806 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.356 10.144 -3.035 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -12.637 9.952 -2.639 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.467 8.576 -4.958 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.744 8.377 -4.558 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.337 6.671 -5.524 1.00 0.00 H new ATOM 455 N GLY A 30 -10.313 14.436 -0.138 1.00 0.00 N ATOM 456 CA GLY A 30 -10.635 15.262 1.016 1.00 0.00 C ATOM 457 C GLY A 30 -9.978 14.717 2.286 1.00 0.00 C ATOM 458 O GLY A 30 -8.828 14.285 2.250 1.00 0.00 O ATOM 0 H GLY A 30 -9.793 14.925 -0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.300 16.284 0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.716 15.299 1.150 1.00 0.00 H new ATOM 462 N ARG A 31 -10.706 14.755 3.408 1.00 0.00 N ATOM 463 CA ARG A 31 -10.248 14.313 4.718 1.00 0.00 C ATOM 464 C ARG A 31 -10.827 12.926 5.013 1.00 0.00 C ATOM 465 O ARG A 31 -11.873 12.820 5.653 1.00 0.00 O ATOM 466 CB ARG A 31 -10.723 15.301 5.797 1.00 0.00 C ATOM 467 CG ARG A 31 -10.021 16.666 5.842 1.00 0.00 C ATOM 468 CD ARG A 31 -10.422 17.626 4.715 1.00 0.00 C ATOM 469 NE ARG A 31 -9.485 17.558 3.586 1.00 0.00 N ATOM 470 CZ ARG A 31 -9.529 18.368 2.520 1.00 0.00 C ATOM 471 NH1 ARG A 31 -10.558 19.205 2.349 1.00 0.00 N ATOM 472 NH2 ARG A 31 -8.533 18.332 1.630 1.00 0.00 N ATOM 0 H ARG A 31 -11.663 15.108 3.423 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.159 14.269 4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -11.790 15.472 5.655 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -10.603 14.825 6.770 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.237 17.140 6.800 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.943 16.508 5.801 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.427 17.383 4.370 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.455 18.645 5.100 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.753 16.848 3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.315 19.229 3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.586 19.819 1.535 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.750 17.692 1.766 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.556 18.944 0.814 1.00 0.00 H new ATOM 486 N LEU A 32 -10.167 11.854 4.575 1.00 0.00 N ATOM 487 CA LEU A 32 -10.618 10.509 4.907 1.00 0.00 C ATOM 488 C LEU A 32 -10.170 10.138 6.321 1.00 0.00 C ATOM 489 O LEU A 32 -9.033 10.389 6.713 1.00 0.00 O ATOM 490 CB LEU A 32 -10.070 9.486 3.916 1.00 0.00 C ATOM 491 CG LEU A 32 -10.579 9.667 2.479 1.00 0.00 C ATOM 492 CD1 LEU A 32 -9.814 8.670 1.614 1.00 0.00 C ATOM 493 CD2 LEU A 32 -12.085 9.398 2.350 1.00 0.00 C ATOM 0 H LEU A 32 -9.328 11.892 3.996 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.707 10.497 4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.982 9.545 3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.334 8.486 4.260 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.418 10.699 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.142 8.760 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.746 8.879 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.007 7.658 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.393 9.540 1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.299 8.374 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.634 10.089 2.990 1.00 0.00 H new ATOM 505 N THR A 33 -11.061 9.500 7.077 1.00 0.00 N ATOM 506 CA THR A 33 -10.783 9.030 8.426 1.00 0.00 C ATOM 507 C THR A 33 -10.397 7.556 8.341 1.00 0.00 C ATOM 508 O THR A 33 -11.279 6.699 8.297 1.00 0.00 O ATOM 509 CB THR A 33 -12.019 9.261 9.309 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.375 10.628 9.264 1.00 0.00 O ATOM 511 CG2 THR A 33 -11.752 8.888 10.769 1.00 0.00 C ATOM 0 H THR A 33 -12.009 9.294 6.762 1.00 0.00 H new ATOM 0 HA THR A 33 -9.957 9.578 8.880 1.00 0.00 H new ATOM 0 HB THR A 33 -12.820 8.629 8.926 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.164 10.779 9.825 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.650 9.066 11.360 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.479 7.835 10.831 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.936 9.498 11.157 1.00 0.00 H new ATOM 519 N PHE A 34 -9.093 7.262 8.293 1.00 0.00 N ATOM 520 CA PHE A 34 -8.577 5.897 8.357 1.00 0.00 C ATOM 521 C PHE A 34 -9.272 5.122 9.472 1.00 0.00 C ATOM 522 O PHE A 34 -9.372 5.613 10.595 1.00 0.00 O ATOM 523 CB PHE A 34 -7.061 5.912 8.584 1.00 0.00 C ATOM 524 CG PHE A 34 -6.416 4.583 8.938 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.384 4.157 10.280 1.00 0.00 C ATOM 526 CD2 PHE A 34 -5.738 3.833 7.956 1.00 0.00 C ATOM 527 CE1 PHE A 34 -5.679 2.995 10.638 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.028 2.675 8.316 1.00 0.00 C ATOM 529 CZ PHE A 34 -4.982 2.267 9.660 1.00 0.00 C ATOM 0 H PHE A 34 -8.365 7.971 8.208 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.782 5.401 7.408 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.584 6.293 7.681 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.843 6.621 9.383 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -6.903 4.726 11.037 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.764 4.149 6.924 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.673 2.662 11.665 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.517 2.098 7.559 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.411 1.394 9.941 1.00 0.00 H new ATOM 539 N ASN A 35 -9.739 3.918 9.144 1.00 0.00 N ATOM 540 CA ASN A 35 -10.334 3.002 10.105 1.00 0.00 C ATOM 541 C ASN A 35 -9.302 1.940 10.452 1.00 0.00 C ATOM 542 O ASN A 35 -8.825 1.876 11.581 1.00 0.00 O ATOM 543 CB ASN A 35 -11.609 2.375 9.525 1.00 0.00 C ATOM 544 CG ASN A 35 -12.551 1.906 10.624 1.00 0.00 C ATOM 545 OD1 ASN A 35 -12.678 0.713 10.879 1.00 0.00 O ATOM 546 ND2 ASN A 35 -13.237 2.843 11.274 1.00 0.00 N ATOM 0 H ASN A 35 -9.713 3.551 8.193 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.621 3.536 11.011 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.119 3.103 8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.343 1.531 8.888 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.892 2.578 12.009 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.107 3.827 11.037 1.00 0.00 H new ATOM 553 N LYS A 36 -8.957 1.118 9.457 1.00 0.00 N ATOM 554 CA LYS A 36 -7.970 0.055 9.586 1.00 0.00 C ATOM 555 C LYS A 36 -7.693 -0.587 8.228 1.00 0.00 C ATOM 556 O LYS A 36 -8.549 -0.579 7.342 1.00 0.00 O ATOM 557 CB LYS A 36 -8.402 -1.009 10.611 1.00 0.00 C ATOM 558 CG LYS A 36 -9.851 -1.476 10.426 1.00 0.00 C ATOM 559 CD LYS A 36 -10.155 -2.628 11.394 1.00 0.00 C ATOM 560 CE LYS A 36 -11.638 -3.016 11.360 1.00 0.00 C ATOM 561 NZ LYS A 36 -12.500 -1.963 11.931 1.00 0.00 N ATOM 0 H LYS A 36 -9.366 1.178 8.525 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.049 0.507 9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.737 -1.869 10.533 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.283 -0.605 11.616 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.535 -0.647 10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.009 -1.802 9.398 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.546 -3.493 11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.878 -2.336 12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.938 -3.211 10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.783 -3.943 11.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.480 -2.306 11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.167 -1.722 12.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.460 -1.117 11.328 1.00 0.00 H new ATOM 575 N VAL A 37 -6.494 -1.158 8.089 1.00 0.00 N ATOM 576 CA VAL A 37 -6.125 -2.023 6.979 1.00 0.00 C ATOM 577 C VAL A 37 -6.674 -3.421 7.261 1.00 0.00 C ATOM 578 O VAL A 37 -6.697 -3.844 8.417 1.00 0.00 O ATOM 579 CB VAL A 37 -4.602 -2.006 6.763 1.00 0.00 C ATOM 580 CG1 VAL A 37 -3.816 -2.464 7.995 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.189 -2.867 5.568 1.00 0.00 C ATOM 0 H VAL A 37 -5.740 -1.025 8.763 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.561 -1.666 6.046 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.355 -0.963 6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.748 -2.430 7.779 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.038 -1.804 8.834 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.102 -3.484 8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.106 -2.829 5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.499 -3.898 5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.667 -2.489 4.664 1.00 0.00 H new ATOM 591 N ILE A 38 -7.117 -4.129 6.219 1.00 0.00 N ATOM 592 CA ILE A 38 -7.637 -5.485 6.323 1.00 0.00 C ATOM 593 C ILE A 38 -7.111 -6.341 5.169 1.00 0.00 C ATOM 594 O ILE A 38 -6.689 -5.827 4.135 1.00 0.00 O ATOM 595 CB ILE A 38 -9.177 -5.499 6.461 1.00 0.00 C ATOM 596 CG1 ILE A 38 -9.952 -4.796 5.330 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.592 -4.861 7.795 1.00 0.00 C ATOM 598 CD1 ILE A 38 -10.110 -5.660 4.077 1.00 0.00 C ATOM 0 H ILE A 38 -7.122 -3.766 5.266 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.268 -5.938 7.243 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.444 -6.554 6.407 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.939 -4.515 5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.436 -3.873 5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.678 -4.876 7.883 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.154 -5.424 8.619 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.239 -3.830 7.831 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.665 -5.105 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.126 -5.920 3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.653 -6.571 4.329 1.00 0.00 H new ATOM 610 N ARG A 39 -7.098 -7.658 5.380 1.00 0.00 N ATOM 611 CA ARG A 39 -6.627 -8.649 4.418 1.00 0.00 C ATOM 612 C ARG A 39 -7.494 -8.648 3.148 1.00 0.00 C ATOM 613 O ARG A 39 -8.687 -8.359 3.236 1.00 0.00 O ATOM 614 CB ARG A 39 -6.633 -10.039 5.083 1.00 0.00 C ATOM 615 CG ARG A 39 -7.963 -10.369 5.783 1.00 0.00 C ATOM 616 CD ARG A 39 -8.020 -11.833 6.231 1.00 0.00 C ATOM 617 NE ARG A 39 -9.082 -12.040 7.226 1.00 0.00 N ATOM 618 CZ ARG A 39 -10.402 -12.017 6.988 1.00 0.00 C ATOM 619 NH1 ARG A 39 -10.867 -11.867 5.742 1.00 0.00 N ATOM 620 NH2 ARG A 39 -11.256 -12.141 8.009 1.00 0.00 N ATOM 0 H ARG A 39 -7.425 -8.074 6.252 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.611 -8.395 4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.430 -10.797 4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.824 -10.090 5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.090 -9.719 6.648 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.792 -10.163 5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.196 -12.474 5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.059 -12.125 6.654 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.788 -12.218 8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.216 -11.769 4.963 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.873 -11.851 5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.902 -12.252 8.959 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.261 -12.125 7.838 1.00 0.00 H new ATOM 634 N PRO A 40 -6.957 -9.044 1.981 1.00 0.00 N ATOM 635 CA PRO A 40 -5.563 -9.395 1.728 1.00 0.00 C ATOM 636 C PRO A 40 -4.683 -8.145 1.638 1.00 0.00 C ATOM 637 O PRO A 40 -5.164 -7.064 1.298 1.00 0.00 O ATOM 638 CB PRO A 40 -5.580 -10.140 0.388 1.00 0.00 C ATOM 639 CG PRO A 40 -6.759 -9.501 -0.346 1.00 0.00 C ATOM 640 CD PRO A 40 -7.757 -9.260 0.787 1.00 0.00 C ATOM 0 HA PRO A 40 -5.148 -10.001 2.534 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.646 -10.009 -0.158 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.722 -11.212 0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.475 -8.573 -0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.166 -10.160 -1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.386 -8.395 0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -8.422 -10.115 0.911 1.00 0.00 H new ATOM 648 N CYS A 41 -3.388 -8.306 1.930 1.00 0.00 N ATOM 649 CA CYS A 41 -2.394 -7.250 1.827 1.00 0.00 C ATOM 650 C CYS A 41 -1.159 -7.867 1.204 1.00 0.00 C ATOM 651 O CYS A 41 -0.737 -8.932 1.647 1.00 0.00 O ATOM 652 CB CYS A 41 -2.022 -6.718 3.206 1.00 0.00 C ATOM 653 SG CYS A 41 -3.393 -5.789 3.900 1.00 0.00 S ATOM 0 H CYS A 41 -3.001 -9.194 2.250 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.789 -6.425 1.234 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.763 -7.546 3.866 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.141 -6.081 3.133 1.00 0.00 H new ATOM 0 HG CYS A 41 -4.441 -5.932 3.144 1.00 0.00 H new ATOM 659 N MET A 42 -0.598 -7.229 0.181 1.00 0.00 N ATOM 660 CA MET A 42 0.456 -7.805 -0.644 1.00 0.00 C ATOM 661 C MET A 42 1.562 -6.791 -0.901 1.00 0.00 C ATOM 662 O MET A 42 1.333 -5.586 -0.808 1.00 0.00 O ATOM 663 CB MET A 42 -0.148 -8.315 -1.963 1.00 0.00 C ATOM 664 CG MET A 42 -0.522 -9.795 -1.846 1.00 0.00 C ATOM 665 SD MET A 42 -1.643 -10.462 -3.100 1.00 0.00 S ATOM 666 CE MET A 42 -0.652 -10.244 -4.590 1.00 0.00 C ATOM 0 H MET A 42 -0.867 -6.286 -0.101 1.00 0.00 H new ATOM 0 HA MET A 42 0.905 -8.645 -0.114 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.032 -7.729 -2.215 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.567 -8.178 -2.774 1.00 0.00 H new ATOM 0 HG2 MET A 42 0.398 -10.379 -1.869 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.976 -9.953 -0.868 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.067 -10.851 -5.395 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.663 -9.195 -4.884 1.00 0.00 H new ATOM 0 HE3 MET A 42 0.374 -10.555 -4.393 1.00 0.00 H new ATOM 676 N LYS A 43 2.758 -7.284 -1.235 1.00 0.00 N ATOM 677 CA LYS A 43 3.872 -6.454 -1.653 1.00 0.00 C ATOM 678 C LYS A 43 4.711 -7.157 -2.714 1.00 0.00 C ATOM 679 O LYS A 43 4.744 -8.390 -2.762 1.00 0.00 O ATOM 680 CB LYS A 43 4.704 -6.055 -0.431 1.00 0.00 C ATOM 681 CG LYS A 43 5.693 -7.134 0.024 1.00 0.00 C ATOM 682 CD LYS A 43 6.471 -6.627 1.245 1.00 0.00 C ATOM 683 CE LYS A 43 7.407 -7.702 1.809 1.00 0.00 C ATOM 684 NZ LYS A 43 8.470 -8.063 0.856 1.00 0.00 N ATOM 0 H LYS A 43 2.974 -8.281 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 43 3.488 -5.543 -2.113 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.256 -5.143 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.031 -5.821 0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.159 -8.051 0.274 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.382 -7.377 -0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.053 -5.748 0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.770 -6.313 2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.857 -7.342 2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.828 -8.591 2.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.120 -8.742 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.046 -8.493 0.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.996 -7.209 0.583 1.00 0.00 H new ATOM 698 N LYS A 44 5.406 -6.371 -3.540 1.00 0.00 N ATOM 699 CA LYS A 44 6.208 -6.862 -4.648 1.00 0.00 C ATOM 700 C LYS A 44 7.468 -6.018 -4.841 1.00 0.00 C ATOM 701 O LYS A 44 7.456 -4.803 -4.665 1.00 0.00 O ATOM 702 CB LYS A 44 5.325 -6.920 -5.898 1.00 0.00 C ATOM 703 CG LYS A 44 6.009 -7.497 -7.146 1.00 0.00 C ATOM 704 CD LYS A 44 6.482 -6.416 -8.123 1.00 0.00 C ATOM 705 CE LYS A 44 5.313 -5.755 -8.866 1.00 0.00 C ATOM 706 NZ LYS A 44 5.793 -4.772 -9.851 1.00 0.00 N ATOM 0 H LYS A 44 5.423 -5.355 -3.450 1.00 0.00 H new ATOM 0 HA LYS A 44 6.567 -7.869 -4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.443 -7.520 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.976 -5.913 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.863 -8.101 -6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.315 -8.164 -7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.041 -5.655 -7.578 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.167 -6.857 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.721 -6.519 -9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.655 -5.263 -8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.014 -4.135 -10.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.570 -4.217 -9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.135 -5.268 -10.699 1.00 0.00 H new ATOM 720 N THR A 45 8.558 -6.702 -5.180 1.00 0.00 N ATOM 721 CA THR A 45 9.911 -6.202 -5.322 1.00 0.00 C ATOM 722 C THR A 45 10.070 -5.372 -6.605 1.00 0.00 C ATOM 723 O THR A 45 9.804 -5.879 -7.694 1.00 0.00 O ATOM 724 CB THR A 45 10.797 -7.460 -5.326 1.00 0.00 C ATOM 725 OG1 THR A 45 10.283 -8.355 -4.346 1.00 0.00 O ATOM 726 CG2 THR A 45 12.256 -7.125 -5.030 1.00 0.00 C ATOM 0 H THR A 45 8.507 -7.701 -5.377 1.00 0.00 H new ATOM 0 HA THR A 45 10.188 -5.523 -4.515 1.00 0.00 H new ATOM 0 HB THR A 45 10.776 -7.916 -6.316 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.580 -9.267 -4.548 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.849 -8.040 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.633 -6.438 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.330 -6.657 -4.048 1.00 0.00 H new ATOM 734 N ILE A 46 10.511 -4.113 -6.491 1.00 0.00 N ATOM 735 CA ILE A 46 10.792 -3.234 -7.625 1.00 0.00 C ATOM 736 C ILE A 46 12.302 -3.281 -7.905 1.00 0.00 C ATOM 737 O ILE A 46 13.123 -2.664 -7.216 1.00 0.00 O ATOM 738 CB ILE A 46 10.177 -1.833 -7.417 1.00 0.00 C ATOM 739 CG1 ILE A 46 8.761 -1.712 -8.010 1.00 0.00 C ATOM 740 CG2 ILE A 46 10.997 -0.688 -8.024 1.00 0.00 C ATOM 741 CD1 ILE A 46 7.794 -2.785 -7.512 1.00 0.00 C ATOM 0 H ILE A 46 10.685 -3.671 -5.588 1.00 0.00 H new ATOM 0 HA ILE A 46 10.301 -3.578 -8.535 1.00 0.00 H new ATOM 0 HB ILE A 46 10.161 -1.736 -6.331 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.357 -0.730 -7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.825 -1.769 -9.097 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.495 0.260 -7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.989 -0.671 -7.572 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.091 -0.838 -9.099 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.817 -2.636 -7.972 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.175 -3.771 -7.780 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.699 -2.715 -6.428 1.00 0.00 H new ATOM 753 N TYR A 47 12.656 -4.061 -8.927 1.00 0.00 N ATOM 754 CA TYR A 47 14.007 -4.170 -9.450 1.00 0.00 C ATOM 755 C TYR A 47 14.308 -3.006 -10.388 1.00 0.00 C ATOM 756 O TYR A 47 13.398 -2.309 -10.834 1.00 0.00 O ATOM 757 CB TYR A 47 14.161 -5.494 -10.203 1.00 0.00 C ATOM 758 CG TYR A 47 13.906 -6.723 -9.357 1.00 0.00 C ATOM 759 CD1 TYR A 47 14.955 -7.288 -8.610 1.00 0.00 C ATOM 760 CD2 TYR A 47 12.630 -7.311 -9.329 1.00 0.00 C ATOM 761 CE1 TYR A 47 14.730 -8.445 -7.844 1.00 0.00 C ATOM 762 CE2 TYR A 47 12.404 -8.464 -8.559 1.00 0.00 C ATOM 763 CZ TYR A 47 13.450 -9.027 -7.811 1.00 0.00 C ATOM 764 OH TYR A 47 13.204 -10.114 -7.028 1.00 0.00 O ATOM 0 H TYR A 47 11.987 -4.649 -9.424 1.00 0.00 H new ATOM 0 HA TYR A 47 14.711 -4.141 -8.618 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.473 -5.500 -11.049 1.00 0.00 H new ATOM 0 HB3 TYR A 47 15.170 -5.551 -10.612 1.00 0.00 H new ATOM 0 HD1 TYR A 47 15.934 -6.833 -8.625 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.823 -6.876 -9.900 1.00 0.00 H new ATOM 0 HE1 TYR A 47 15.539 -8.887 -7.281 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.424 -8.918 -8.542 1.00 0.00 H new ATOM 0 HH TYR A 47 12.267 -10.383 -7.127 1.00 0.00 H new ATOM 774 N GLU A 48 15.586 -2.824 -10.719 1.00 0.00 N ATOM 775 CA GLU A 48 16.030 -1.963 -11.787 1.00 0.00 C ATOM 776 C GLU A 48 17.299 -2.575 -12.370 1.00 0.00 C ATOM 777 O GLU A 48 17.958 -3.409 -11.743 1.00 0.00 O ATOM 778 CB GLU A 48 16.293 -0.544 -11.272 1.00 0.00 C ATOM 779 CG GLU A 48 15.967 0.546 -12.303 1.00 0.00 C ATOM 780 CD GLU A 48 16.574 1.885 -11.898 1.00 0.00 C ATOM 781 OE1 GLU A 48 15.881 2.632 -11.173 1.00 0.00 O ATOM 782 OE2 GLU A 48 17.724 2.125 -12.328 1.00 0.00 O ATOM 0 H GLU A 48 16.352 -3.289 -10.232 1.00 0.00 H new ATOM 0 HA GLU A 48 15.260 -1.883 -12.555 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.699 -0.375 -10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.340 -0.458 -10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.348 0.251 -13.281 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.886 0.648 -12.400 1.00 0.00 H new ATOM 789 N ASN A 49 17.611 -2.113 -13.576 1.00 0.00 N ATOM 790 CA ASN A 49 18.827 -2.425 -14.311 1.00 0.00 C ATOM 791 C ASN A 49 20.047 -2.017 -13.489 1.00 0.00 C ATOM 792 O ASN A 49 20.922 -2.844 -13.260 1.00 0.00 O ATOM 793 CB ASN A 49 18.812 -1.707 -15.667 1.00 0.00 C ATOM 794 CG ASN A 49 20.163 -1.783 -16.374 1.00 0.00 C ATOM 795 OD1 ASN A 49 20.747 -0.760 -16.709 1.00 0.00 O ATOM 796 ND2 ASN A 49 20.669 -2.988 -16.619 1.00 0.00 N ATOM 0 H ASN A 49 16.994 -1.483 -14.089 1.00 0.00 H new ATOM 0 HA ASN A 49 18.880 -3.499 -14.492 1.00 0.00 H new ATOM 0 HB2 ASN A 49 18.046 -2.150 -16.303 1.00 0.00 H new ATOM 0 HB3 ASN A 49 18.539 -0.662 -15.520 1.00 0.00 H new ATOM 0 HD21 ASN A 49 21.565 -3.077 -17.097 1.00 0.00 H new ATOM 0 HD22 ASN A 49 20.161 -3.823 -16.329 1.00 0.00 H new ATOM 803 N GLU A 50 20.064 -0.753 -13.045 1.00 0.00 N ATOM 804 CA GLU A 50 21.036 -0.184 -12.123 1.00 0.00 C ATOM 805 C GLU A 50 22.482 -0.560 -12.491 1.00 0.00 C ATOM 806 O GLU A 50 22.800 -0.810 -13.653 1.00 0.00 O ATOM 807 CB GLU A 50 20.628 -0.597 -10.696 1.00 0.00 C ATOM 808 CG GLU A 50 20.855 0.507 -9.649 1.00 0.00 C ATOM 809 CD GLU A 50 19.845 1.644 -9.782 1.00 0.00 C ATOM 810 OE1 GLU A 50 18.666 1.396 -9.448 1.00 0.00 O ATOM 811 OE2 GLU A 50 20.273 2.741 -10.203 1.00 0.00 O ATOM 0 H GLU A 50 19.363 -0.073 -13.338 1.00 0.00 H new ATOM 0 HA GLU A 50 21.027 0.904 -12.188 1.00 0.00 H new ATOM 0 HB2 GLU A 50 19.575 -0.877 -10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 50 21.194 -1.483 -10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 50 20.786 0.077 -8.650 1.00 0.00 H new ATOM 0 HG3 GLU A 50 21.864 0.905 -9.756 1.00 0.00 H new ATOM 818 N GLY A 51 23.372 -0.630 -11.498 1.00 0.00 N ATOM 819 CA GLY A 51 24.702 -1.189 -11.674 1.00 0.00 C ATOM 820 C GLY A 51 24.599 -2.710 -11.643 1.00 0.00 C ATOM 821 O GLY A 51 25.133 -3.347 -10.739 1.00 0.00 O ATOM 0 H GLY A 51 23.185 -0.299 -10.552 1.00 0.00 H new ATOM 0 HA2 GLY A 51 25.129 -0.858 -12.621 1.00 0.00 H new ATOM 0 HA3 GLY A 51 25.367 -0.839 -10.885 1.00 0.00 H new ATOM 825 N PHE A 52 23.898 -3.265 -12.635 1.00 0.00 N ATOM 826 CA PHE A 52 23.440 -4.648 -12.696 1.00 0.00 C ATOM 827 C PHE A 52 22.278 -4.871 -11.719 1.00 0.00 C ATOM 828 O PHE A 52 22.042 -4.044 -10.838 1.00 0.00 O ATOM 829 CB PHE A 52 24.599 -5.636 -12.492 1.00 0.00 C ATOM 830 CG PHE A 52 24.285 -7.062 -12.900 1.00 0.00 C ATOM 831 CD1 PHE A 52 24.271 -7.417 -14.262 1.00 0.00 C ATOM 832 CD2 PHE A 52 23.956 -8.023 -11.923 1.00 0.00 C ATOM 833 CE1 PHE A 52 23.940 -8.730 -14.644 1.00 0.00 C ATOM 834 CE2 PHE A 52 23.623 -9.333 -12.307 1.00 0.00 C ATOM 835 CZ PHE A 52 23.616 -9.687 -13.667 1.00 0.00 C ATOM 0 H PHE A 52 23.622 -2.730 -13.459 1.00 0.00 H new ATOM 0 HA PHE A 52 23.056 -4.846 -13.697 1.00 0.00 H new ATOM 0 HB2 PHE A 52 25.461 -5.289 -13.062 1.00 0.00 H new ATOM 0 HB3 PHE A 52 24.888 -5.627 -11.441 1.00 0.00 H new ATOM 0 HD1 PHE A 52 24.514 -6.681 -15.014 1.00 0.00 H new ATOM 0 HD2 PHE A 52 23.960 -7.752 -10.878 1.00 0.00 H new ATOM 0 HE1 PHE A 52 23.935 -9.003 -15.689 1.00 0.00 H new ATOM 0 HE2 PHE A 52 23.372 -10.068 -11.557 1.00 0.00 H new ATOM 0 HZ PHE A 52 23.362 -10.694 -13.961 1.00 0.00 H new ATOM 845 N ARG A 53 21.544 -5.975 -11.917 1.00 0.00 N ATOM 846 CA ARG A 53 20.329 -6.342 -11.194 1.00 0.00 C ATOM 847 C ARG A 53 20.356 -5.876 -9.738 1.00 0.00 C ATOM 848 O ARG A 53 21.123 -6.418 -8.944 1.00 0.00 O ATOM 849 CB ARG A 53 20.156 -7.868 -11.200 1.00 0.00 C ATOM 850 CG ARG A 53 19.755 -8.453 -12.557 1.00 0.00 C ATOM 851 CD ARG A 53 19.515 -9.959 -12.387 1.00 0.00 C ATOM 852 NE ARG A 53 18.876 -10.545 -13.571 1.00 0.00 N ATOM 853 CZ ARG A 53 18.369 -11.786 -13.616 1.00 0.00 C ATOM 854 NH1 ARG A 53 18.510 -12.613 -12.573 1.00 0.00 N ATOM 855 NH2 ARG A 53 17.713 -12.194 -14.705 1.00 0.00 N ATOM 0 H ARG A 53 21.798 -6.667 -12.622 1.00 0.00 H new ATOM 0 HA ARG A 53 19.501 -5.850 -11.704 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.091 -8.329 -10.881 1.00 0.00 H new ATOM 0 HB3 ARG A 53 19.400 -8.139 -10.463 1.00 0.00 H new ATOM 0 HG2 ARG A 53 18.854 -7.965 -12.928 1.00 0.00 H new ATOM 0 HG3 ARG A 53 20.539 -8.275 -13.293 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.465 -10.460 -12.201 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.887 -10.131 -11.512 1.00 0.00 H new ATOM 0 HE ARG A 53 18.813 -9.972 -14.413 1.00 0.00 H new ATOM 0 HH11 ARG A 53 19.005 -12.301 -11.738 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.122 -13.556 -12.613 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.599 -11.563 -15.498 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.326 -13.137 -14.744 1.00 0.00 H new ATOM 869 N GLU A 54 19.497 -4.916 -9.378 1.00 0.00 N ATOM 870 CA GLU A 54 19.377 -4.437 -8.017 1.00 0.00 C ATOM 871 C GLU A 54 17.915 -4.132 -7.705 1.00 0.00 C ATOM 872 O GLU A 54 17.165 -3.703 -8.582 1.00 0.00 O ATOM 873 CB GLU A 54 20.297 -3.226 -7.812 1.00 0.00 C ATOM 874 CG GLU A 54 20.401 -2.815 -6.334 1.00 0.00 C ATOM 875 CD GLU A 54 21.447 -1.730 -6.082 1.00 0.00 C ATOM 876 OE1 GLU A 54 22.125 -1.330 -7.055 1.00 0.00 O ATOM 877 OE2 GLU A 54 21.550 -1.316 -4.908 1.00 0.00 O ATOM 0 H GLU A 54 18.867 -4.454 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 54 19.699 -5.205 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.291 -3.460 -8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.922 -2.385 -8.395 1.00 0.00 H new ATOM 0 HG2 GLU A 54 19.429 -2.459 -5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.646 -3.693 -5.736 1.00 0.00 H new ATOM 884 N ILE A 55 17.524 -4.375 -6.452 1.00 0.00 N ATOM 885 CA ILE A 55 16.228 -4.011 -5.905 1.00 0.00 C ATOM 886 C ILE A 55 16.310 -2.533 -5.537 1.00 0.00 C ATOM 887 O ILE A 55 16.902 -2.195 -4.514 1.00 0.00 O ATOM 888 CB ILE A 55 15.896 -4.899 -4.690 1.00 0.00 C ATOM 889 CG1 ILE A 55 15.842 -6.379 -5.120 1.00 0.00 C ATOM 890 CG2 ILE A 55 14.553 -4.464 -4.084 1.00 0.00 C ATOM 891 CD1 ILE A 55 15.720 -7.351 -3.941 1.00 0.00 C ATOM 0 H ILE A 55 18.124 -4.845 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 55 15.424 -4.168 -6.624 1.00 0.00 H new ATOM 0 HB ILE A 55 16.674 -4.786 -3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.995 -6.524 -5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.742 -6.618 -5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.320 -5.093 -3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.618 -3.424 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.766 -4.566 -4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.687 -8.374 -4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 55 16.580 -7.233 -3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.806 -7.138 -3.387 1.00 0.00 H new ATOM 903 N LYS A 56 15.745 -1.649 -6.366 1.00 0.00 N ATOM 904 CA LYS A 56 15.765 -0.223 -6.062 1.00 0.00 C ATOM 905 C LYS A 56 14.613 0.144 -5.131 1.00 0.00 C ATOM 906 O LYS A 56 14.656 1.192 -4.487 1.00 0.00 O ATOM 907 CB LYS A 56 15.856 0.637 -7.333 1.00 0.00 C ATOM 908 CG LYS A 56 14.571 0.846 -8.151 1.00 0.00 C ATOM 909 CD LYS A 56 13.594 1.853 -7.522 1.00 0.00 C ATOM 910 CE LYS A 56 12.670 2.438 -8.594 1.00 0.00 C ATOM 911 NZ LYS A 56 11.605 3.256 -7.987 1.00 0.00 N ATOM 0 H LYS A 56 15.276 -1.895 -7.238 1.00 0.00 H new ATOM 0 HA LYS A 56 16.679 0.006 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.234 1.618 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.601 0.187 -7.989 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.839 1.189 -9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.065 -0.113 -8.268 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.001 1.362 -6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.150 2.654 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 56 13.251 3.047 -9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.226 1.630 -9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.258 3.946 -8.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.821 2.640 -7.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.983 3.760 -7.159 1.00 0.00 H new ATOM 925 N GLY A 57 13.573 -0.693 -5.046 1.00 0.00 N ATOM 926 CA GLY A 57 12.436 -0.389 -4.200 1.00 0.00 C ATOM 927 C GLY A 57 11.476 -1.563 -4.072 1.00 0.00 C ATOM 928 O GLY A 57 11.792 -2.686 -4.465 1.00 0.00 O ATOM 0 H GLY A 57 13.504 -1.576 -5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.790 -0.103 -3.209 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.903 0.470 -4.608 1.00 0.00 H new ATOM 932 N TYR A 58 10.286 -1.286 -3.539 1.00 0.00 N ATOM 933 CA TYR A 58 9.183 -2.221 -3.418 1.00 0.00 C ATOM 934 C TYR A 58 7.885 -1.462 -3.681 1.00 0.00 C ATOM 935 O TYR A 58 7.870 -0.231 -3.626 1.00 0.00 O ATOM 936 CB TYR A 58 9.145 -2.826 -2.010 1.00 0.00 C ATOM 937 CG TYR A 58 10.465 -3.382 -1.512 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.410 -2.517 -0.931 1.00 0.00 C ATOM 939 CD2 TYR A 58 10.779 -4.743 -1.685 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.684 -2.992 -0.577 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.046 -5.223 -1.310 1.00 0.00 C ATOM 942 CZ TYR A 58 13.005 -4.345 -0.777 1.00 0.00 C ATOM 943 OH TYR A 58 14.246 -4.809 -0.459 1.00 0.00 O ATOM 0 H TYR A 58 10.062 -0.364 -3.166 1.00 0.00 H new ATOM 0 HA TYR A 58 9.308 -3.031 -4.137 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.804 -2.061 -1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.403 -3.625 -1.995 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.155 -1.482 -0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.048 -5.418 -2.105 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.414 -2.319 -0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.283 -6.270 -1.432 1.00 0.00 H new ATOM 0 HH TYR A 58 14.298 -5.767 -0.659 1.00 0.00 H new ATOM 953 N GLU A 59 6.811 -2.211 -3.924 1.00 0.00 N ATOM 954 CA GLU A 59 5.434 -1.756 -4.024 1.00 0.00 C ATOM 955 C GLU A 59 4.636 -2.537 -2.981 1.00 0.00 C ATOM 956 O GLU A 59 4.956 -3.698 -2.728 1.00 0.00 O ATOM 957 CB GLU A 59 4.919 -1.997 -5.448 1.00 0.00 C ATOM 958 CG GLU A 59 3.496 -1.460 -5.661 1.00 0.00 C ATOM 959 CD GLU A 59 3.065 -1.626 -7.115 1.00 0.00 C ATOM 960 OE1 GLU A 59 2.816 -2.790 -7.500 1.00 0.00 O ATOM 961 OE2 GLU A 59 3.023 -0.598 -7.825 1.00 0.00 O ATOM 0 H GLU A 59 6.890 -3.218 -4.065 1.00 0.00 H new ATOM 0 HA GLU A 59 5.337 -0.688 -3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.593 -1.521 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.935 -3.066 -5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.802 -1.989 -5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.455 -0.407 -5.383 1.00 0.00 H new ATOM 968 N TYR A 60 3.618 -1.912 -2.387 1.00 0.00 N ATOM 969 CA TYR A 60 2.697 -2.499 -1.432 1.00 0.00 C ATOM 970 C TYR A 60 1.307 -2.202 -1.972 1.00 0.00 C ATOM 971 O TYR A 60 1.085 -1.094 -2.460 1.00 0.00 O ATOM 972 CB TYR A 60 2.859 -1.845 -0.057 1.00 0.00 C ATOM 973 CG TYR A 60 4.213 -2.024 0.599 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.248 -1.106 0.344 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.392 -3.028 1.569 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.444 -1.176 1.081 1.00 0.00 C ATOM 977 CE2 TYR A 60 5.588 -3.095 2.305 1.00 0.00 C ATOM 978 CZ TYR A 60 6.601 -2.149 2.080 1.00 0.00 C ATOM 979 OH TYR A 60 7.733 -2.158 2.842 1.00 0.00 O ATOM 0 H TYR A 60 3.409 -0.931 -2.574 1.00 0.00 H new ATOM 0 HA TYR A 60 2.878 -3.567 -1.312 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.662 -0.778 -0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.097 -2.249 0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.125 -0.349 -0.416 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.608 -3.749 1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.244 -0.479 0.878 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.727 -3.872 3.042 1.00 0.00 H new ATOM 0 HH TYR A 60 7.686 -2.893 3.488 1.00 0.00 H new ATOM 989 N GLN A 61 0.393 -3.170 -1.895 1.00 0.00 N ATOM 990 CA GLN A 61 -0.973 -3.063 -2.371 1.00 0.00 C ATOM 991 C GLN A 61 -1.860 -3.692 -1.295 1.00 0.00 C ATOM 992 O GLN A 61 -1.693 -4.872 -0.985 1.00 0.00 O ATOM 993 CB GLN A 61 -1.077 -3.781 -3.725 1.00 0.00 C ATOM 994 CG GLN A 61 -2.331 -3.358 -4.496 1.00 0.00 C ATOM 995 CD GLN A 61 -2.505 -4.127 -5.804 1.00 0.00 C ATOM 996 OE1 GLN A 61 -1.874 -5.154 -6.029 1.00 0.00 O ATOM 997 NE2 GLN A 61 -3.382 -3.644 -6.679 1.00 0.00 N ATOM 0 H GLN A 61 0.598 -4.080 -1.483 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.291 -2.033 -2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.192 -3.562 -4.322 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.095 -4.859 -3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.208 -3.513 -3.868 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.278 -2.291 -4.711 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.894 -2.788 -6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.543 -4.130 -7.561 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.761 -2.919 -0.681 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.481 -3.369 0.507 1.00 0.00 C ATOM 1008 C LEU A 62 -4.858 -2.723 0.606 1.00 0.00 C ATOM 1009 O LEU A 62 -5.042 -1.589 0.168 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.615 -3.157 1.764 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.909 -1.793 1.913 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -2.780 -0.774 2.655 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.612 -1.984 2.707 1.00 0.00 C ATOM 0 H LEU A 62 -3.007 -1.979 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.668 -4.440 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.247 -3.307 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.853 -3.936 1.784 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.710 -1.413 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.244 0.171 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.708 -0.618 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.009 -1.149 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.108 -1.024 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.845 -2.386 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.040 -2.678 2.177 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.840 -3.458 1.140 1.00 0.00 N ATOM 1026 CA TYR A 63 -7.203 -2.996 1.299 1.00 0.00 C ATOM 1027 C TYR A 63 -7.355 -2.322 2.657 1.00 0.00 C ATOM 1028 O TYR A 63 -6.954 -2.870 3.680 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.158 -4.183 1.178 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.507 -4.561 -0.246 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -9.265 -3.684 -1.044 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -8.121 -5.810 -0.759 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -9.645 -4.059 -2.343 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -8.550 -6.209 -2.035 1.00 0.00 C ATOM 1035 CZ TYR A 63 -9.277 -5.319 -2.843 1.00 0.00 C ATOM 1036 OH TYR A 63 -9.455 -5.607 -4.166 1.00 0.00 O ATOM 0 H TYR A 63 -5.695 -4.410 1.478 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.443 -2.272 0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.710 -5.046 1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.077 -3.950 1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.556 -2.719 -0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.494 -6.464 -0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.219 -3.380 -2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.321 -7.201 -2.396 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.378 -4.784 -4.693 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.935 -1.126 2.657 1.00 0.00 N ATOM 1047 CA VAL A 64 -8.096 -0.297 3.832 1.00 0.00 C ATOM 1048 C VAL A 64 -9.512 0.261 3.899 1.00 0.00 C ATOM 1049 O VAL A 64 -10.060 0.724 2.896 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.994 0.775 3.824 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -7.099 1.734 2.634 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -6.946 1.577 5.129 1.00 0.00 C ATOM 0 H VAL A 64 -8.315 -0.700 1.811 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.976 -0.877 4.747 1.00 0.00 H new ATOM 0 HB VAL A 64 -6.063 0.217 3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.294 2.467 2.685 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.019 1.171 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.060 2.248 2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.151 2.320 5.070 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.901 2.079 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.752 0.903 5.963 1.00 0.00 H new ATOM 1062 N TYR A 65 -10.104 0.198 5.094 1.00 0.00 N ATOM 1063 CA TYR A 65 -11.345 0.863 5.407 1.00 0.00 C ATOM 1064 C TYR A 65 -10.998 2.259 5.916 1.00 0.00 C ATOM 1065 O TYR A 65 -10.178 2.405 6.828 1.00 0.00 O ATOM 1066 CB TYR A 65 -12.117 0.059 6.461 1.00 0.00 C ATOM 1067 CG TYR A 65 -13.238 -0.789 5.897 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -14.369 -0.158 5.349 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -13.188 -2.193 5.972 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -15.445 -0.924 4.872 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -14.258 -2.962 5.478 1.00 0.00 C ATOM 1072 CZ TYR A 65 -15.386 -2.325 4.929 1.00 0.00 C ATOM 1073 OH TYR A 65 -16.413 -3.065 4.426 1.00 0.00 O ATOM 0 H TYR A 65 -9.717 -0.329 5.877 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.985 0.940 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -11.419 -0.588 6.991 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -12.533 0.749 7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -14.410 0.920 5.295 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -12.329 -2.680 6.409 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -16.317 -0.436 4.462 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -14.213 -4.040 5.520 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.217 -4.018 4.542 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.634 3.278 5.337 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.553 4.653 5.792 1.00 0.00 C ATOM 1085 C ALA A 66 -12.967 5.226 5.775 1.00 0.00 C ATOM 1086 O ALA A 66 -13.651 5.135 4.761 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.605 5.445 4.889 1.00 0.00 C ATOM 0 H ALA A 66 -12.232 3.160 4.519 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.152 4.714 6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.549 6.477 5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.612 4.997 4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.978 5.427 3.865 1.00 0.00 H new ATOM 1093 N SER A 67 -13.435 5.768 6.901 1.00 0.00 N ATOM 1094 CA SER A 67 -14.783 6.316 7.045 1.00 0.00 C ATOM 1095 C SER A 67 -15.847 5.296 6.598 1.00 0.00 C ATOM 1096 O SER A 67 -16.821 5.640 5.934 1.00 0.00 O ATOM 1097 CB SER A 67 -14.876 7.647 6.278 1.00 0.00 C ATOM 1098 OG SER A 67 -15.853 8.501 6.842 1.00 0.00 O ATOM 0 H SER A 67 -12.878 5.839 7.752 1.00 0.00 H new ATOM 0 HA SER A 67 -14.985 6.520 8.096 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.906 8.144 6.290 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.121 7.451 5.234 1.00 0.00 H new ATOM 0 HG SER A 67 -15.888 9.339 6.334 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.630 4.023 6.944 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.479 2.894 6.565 1.00 0.00 C ATOM 1106 C ASP A 68 -16.642 2.737 5.042 1.00 0.00 C ATOM 1107 O ASP A 68 -17.586 2.101 4.583 1.00 0.00 O ATOM 1108 CB ASP A 68 -17.827 2.975 7.302 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.631 1.680 7.199 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -18.025 0.612 7.433 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.845 1.785 6.914 1.00 0.00 O ATOM 0 H ASP A 68 -14.832 3.743 7.514 1.00 0.00 H new ATOM 0 HA ASP A 68 -15.972 1.982 6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.649 3.206 8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -18.413 3.796 6.890 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.701 3.264 4.253 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.601 3.023 2.822 1.00 0.00 C ATOM 1118 C LYS A 69 -14.352 2.177 2.588 1.00 0.00 C ATOM 1119 O LYS A 69 -13.293 2.482 3.139 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.488 4.357 2.074 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.647 5.327 2.331 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.998 4.761 1.879 1.00 0.00 C ATOM 1123 CE LYS A 69 -19.082 5.833 2.016 1.00 0.00 C ATOM 1124 NZ LYS A 69 -20.397 5.321 1.594 1.00 0.00 N ATOM 0 H LYS A 69 -14.973 3.884 4.607 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.486 2.505 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.554 4.842 2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.429 4.156 1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.692 5.560 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.456 6.264 1.807 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.934 4.426 0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.257 3.890 2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.135 6.169 3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -18.817 6.701 1.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.111 6.070 1.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -20.350 5.023 0.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.659 4.508 2.187 1.00 0.00 H new ATOM 1138 N LEU A 70 -14.480 1.105 1.802 1.00 0.00 N ATOM 1139 CA LEU A 70 -13.395 0.183 1.508 1.00 0.00 C ATOM 1140 C LEU A 70 -12.679 0.655 0.240 1.00 0.00 C ATOM 1141 O LEU A 70 -13.318 0.863 -0.793 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.990 -1.229 1.395 1.00 0.00 C ATOM 1143 CG LEU A 70 -13.011 -2.404 1.223 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -12.484 -2.583 -0.203 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -11.846 -2.347 2.218 1.00 0.00 C ATOM 0 H LEU A 70 -15.358 0.855 1.347 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.644 0.157 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.584 -1.415 2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.677 -1.237 0.548 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.614 -3.285 1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.801 -3.432 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.319 -2.763 -0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.955 -1.681 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.185 -3.198 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.288 -1.422 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.235 -2.380 3.236 1.00 0.00 H new ATOM 1157 N PHE A 71 -11.364 0.860 0.335 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.501 1.298 -0.756 1.00 0.00 C ATOM 1159 C PHE A 71 -9.276 0.390 -0.823 1.00 0.00 C ATOM 1160 O PHE A 71 -8.927 -0.247 0.171 1.00 0.00 O ATOM 1161 CB PHE A 71 -10.035 2.732 -0.486 1.00 0.00 C ATOM 1162 CG PHE A 71 -11.038 3.820 -0.812 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -12.001 4.208 0.139 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -10.814 4.630 -1.940 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.721 5.405 -0.038 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.538 5.817 -2.117 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.492 6.209 -1.166 1.00 0.00 C ATOM 0 H PHE A 71 -10.855 0.719 1.208 1.00 0.00 H new ATOM 0 HA PHE A 71 -11.051 1.254 -1.696 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.766 2.815 0.567 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -9.128 2.915 -1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -12.187 3.588 1.003 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.079 4.335 -2.675 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -13.453 5.706 0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.361 6.431 -2.987 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.048 7.125 -1.301 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.607 0.358 -1.979 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.289 -0.241 -2.133 1.00 0.00 C ATOM 1179 C ARG A 72 -6.262 0.888 -2.137 1.00 0.00 C ATOM 1180 O ARG A 72 -6.329 1.778 -2.984 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.200 -1.047 -3.436 1.00 0.00 C ATOM 1182 CG ARG A 72 -5.855 -1.792 -3.539 1.00 0.00 C ATOM 1183 CD ARG A 72 -5.860 -3.096 -2.734 1.00 0.00 C ATOM 1184 NE ARG A 72 -6.484 -4.166 -3.518 1.00 0.00 N ATOM 1185 CZ ARG A 72 -5.963 -5.356 -3.855 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -4.753 -5.742 -3.436 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -6.694 -6.174 -4.620 1.00 0.00 N ATOM 0 H ARG A 72 -8.976 0.755 -2.843 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.097 -0.931 -1.311 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.020 -1.764 -3.480 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.315 -0.378 -4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.641 -2.012 -4.585 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.054 -1.146 -3.179 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.840 -3.374 -2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.403 -2.954 -1.800 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.432 -3.983 -3.848 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.198 -5.125 -2.843 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.385 -6.653 -3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.622 -5.887 -4.932 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.324 -7.085 -4.892 1.00 0.00 H new ATOM 1201 N ALA A 73 -5.294 0.834 -1.224 1.00 0.00 N ATOM 1202 CA ALA A 73 -4.150 1.727 -1.224 1.00 0.00 C ATOM 1203 C ALA A 73 -2.979 1.004 -1.885 1.00 0.00 C ATOM 1204 O ALA A 73 -2.729 -0.163 -1.572 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.817 2.137 0.211 1.00 0.00 C ATOM 0 H ALA A 73 -5.287 0.160 -0.458 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.368 2.636 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.958 2.807 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.674 2.647 0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.582 1.249 0.798 1.00 0.00 H new ATOM 1211 N ASP A 74 -2.279 1.689 -2.794 1.00 0.00 N ATOM 1212 CA ASP A 74 -1.042 1.222 -3.400 1.00 0.00 C ATOM 1213 C ASP A 74 0.045 2.257 -3.132 1.00 0.00 C ATOM 1214 O ASP A 74 -0.132 3.445 -3.418 1.00 0.00 O ATOM 1215 CB ASP A 74 -1.230 0.953 -4.893 1.00 0.00 C ATOM 1216 CG ASP A 74 -0.007 0.246 -5.469 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.001 0.949 -5.691 1.00 0.00 O ATOM 1218 OD2 ASP A 74 -0.101 -0.983 -5.674 1.00 0.00 O ATOM 0 H ASP A 74 -2.570 2.606 -3.133 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.742 0.272 -2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.118 0.340 -5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.395 1.893 -5.420 1.00 0.00 H new ATOM 1223 N ILE A 75 1.141 1.794 -2.534 1.00 0.00 N ATOM 1224 CA ILE A 75 2.250 2.586 -2.023 1.00 0.00 C ATOM 1225 C ILE A 75 3.523 1.974 -2.592 1.00 0.00 C ATOM 1226 O ILE A 75 3.529 0.778 -2.872 1.00 0.00 O ATOM 1227 CB ILE A 75 2.251 2.502 -0.480 1.00 0.00 C ATOM 1228 CG1 ILE A 75 0.974 3.113 0.124 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.476 3.159 0.170 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -0.044 2.026 0.471 1.00 0.00 C ATOM 0 H ILE A 75 1.284 0.795 -2.386 1.00 0.00 H new ATOM 0 HA ILE A 75 2.172 3.635 -2.310 1.00 0.00 H new ATOM 0 HB ILE A 75 2.290 1.435 -0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.227 3.679 1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.534 3.816 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.409 3.062 1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.383 2.668 -0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.508 4.215 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.936 2.486 0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.313 1.478 -0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.391 1.339 1.197 1.00 0.00 H new ATOM 1242 N SER A 76 4.601 2.750 -2.714 1.00 0.00 N ATOM 1243 CA SER A 76 5.913 2.204 -3.014 1.00 0.00 C ATOM 1244 C SER A 76 6.924 2.705 -1.997 1.00 0.00 C ATOM 1245 O SER A 76 6.636 3.651 -1.262 1.00 0.00 O ATOM 1246 CB SER A 76 6.319 2.537 -4.450 1.00 0.00 C ATOM 1247 OG SER A 76 5.412 1.930 -5.349 1.00 0.00 O ATOM 0 H SER A 76 4.584 3.764 -2.608 1.00 0.00 H new ATOM 0 HA SER A 76 5.880 1.117 -2.940 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.325 3.617 -4.596 1.00 0.00 H new ATOM 0 HB3 SER A 76 7.332 2.184 -4.644 1.00 0.00 H new ATOM 0 HG SER A 76 5.671 2.145 -6.270 1.00 0.00 H new ATOM 1253 N GLU A 77 8.086 2.046 -1.963 1.00 0.00 N ATOM 1254 CA GLU A 77 9.241 2.376 -1.147 1.00 0.00 C ATOM 1255 C GLU A 77 10.468 2.351 -2.053 1.00 0.00 C ATOM 1256 O GLU A 77 10.609 1.410 -2.831 1.00 0.00 O ATOM 1257 CB GLU A 77 9.351 1.371 0.007 1.00 0.00 C ATOM 1258 CG GLU A 77 10.463 1.726 1.009 1.00 0.00 C ATOM 1259 CD GLU A 77 11.676 0.810 0.891 1.00 0.00 C ATOM 1260 OE1 GLU A 77 12.286 0.814 -0.198 1.00 0.00 O ATOM 1261 OE2 GLU A 77 11.971 0.119 1.889 1.00 0.00 O ATOM 0 H GLU A 77 8.247 1.221 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 77 9.152 3.367 -0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.397 1.324 0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.540 0.378 -0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.775 2.758 0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.066 1.667 2.022 1.00 0.00 H new ATOM 1268 N ASP A 78 11.324 3.373 -1.966 1.00 0.00 N ATOM 1269 CA ASP A 78 12.572 3.486 -2.700 1.00 0.00 C ATOM 1270 C ASP A 78 13.714 3.207 -1.729 1.00 0.00 C ATOM 1271 O ASP A 78 14.011 4.025 -0.853 1.00 0.00 O ATOM 1272 CB ASP A 78 12.694 4.887 -3.307 1.00 0.00 C ATOM 1273 CG ASP A 78 11.854 5.016 -4.572 1.00 0.00 C ATOM 1274 OD1 ASP A 78 10.657 5.345 -4.432 1.00 0.00 O ATOM 1275 OD2 ASP A 78 12.422 4.772 -5.658 1.00 0.00 O ATOM 0 H ASP A 78 11.153 4.172 -1.356 1.00 0.00 H new ATOM 0 HA ASP A 78 12.606 2.768 -3.519 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.374 5.631 -2.578 1.00 0.00 H new ATOM 0 HB3 ASP A 78 13.738 5.096 -3.538 1.00 0.00 H new ATOM 1280 N TYR A 79 14.359 2.053 -1.904 1.00 0.00 N ATOM 1281 CA TYR A 79 15.381 1.518 -1.021 1.00 0.00 C ATOM 1282 C TYR A 79 16.536 2.504 -0.856 1.00 0.00 C ATOM 1283 O TYR A 79 17.106 2.603 0.226 1.00 0.00 O ATOM 1284 CB TYR A 79 15.858 0.167 -1.571 1.00 0.00 C ATOM 1285 CG TYR A 79 16.848 -0.553 -0.678 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.419 -1.106 0.542 1.00 0.00 C ATOM 1287 CD2 TYR A 79 18.201 -0.653 -1.055 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.336 -1.763 1.380 1.00 0.00 C ATOM 1289 CE2 TYR A 79 19.119 -1.301 -0.211 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.688 -1.851 1.007 1.00 0.00 C ATOM 1291 OH TYR A 79 19.586 -2.478 1.819 1.00 0.00 O ATOM 0 H TYR A 79 14.171 1.444 -2.701 1.00 0.00 H new ATOM 0 HA TYR A 79 14.960 1.364 -0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.991 -0.476 -1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.316 0.326 -2.547 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.383 -1.026 0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.533 -0.232 -1.992 1.00 0.00 H new ATOM 0 HE1 TYR A 79 17.002 -2.200 2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 79 20.157 -1.376 -0.499 1.00 0.00 H new ATOM 0 HH TYR A 79 20.475 -2.448 1.408 1.00 0.00 H new ATOM 1301 N LYS A 80 16.817 3.286 -1.904 1.00 0.00 N ATOM 1302 CA LYS A 80 17.824 4.334 -1.927 1.00 0.00 C ATOM 1303 C LYS A 80 17.731 5.276 -0.726 1.00 0.00 C ATOM 1304 O LYS A 80 18.733 5.884 -0.349 1.00 0.00 O ATOM 1305 CB LYS A 80 17.706 5.123 -3.241 1.00 0.00 C ATOM 1306 CG LYS A 80 18.641 4.575 -4.324 1.00 0.00 C ATOM 1307 CD LYS A 80 18.541 5.440 -5.588 1.00 0.00 C ATOM 1308 CE LYS A 80 19.644 5.075 -6.589 1.00 0.00 C ATOM 1309 NZ LYS A 80 19.563 5.905 -7.803 1.00 0.00 N ATOM 0 H LYS A 80 16.324 3.196 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 80 18.801 3.854 -1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 80 16.676 5.083 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 80 17.940 6.172 -3.057 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.668 4.566 -3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 80 18.377 3.544 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.564 5.303 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.622 6.493 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 80 20.620 5.206 -6.121 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.559 4.023 -6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.322 5.634 -8.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 18.641 5.761 -8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.669 6.907 -7.546 1.00 0.00 H new ATOM 1323 N THR A 81 16.549 5.437 -0.130 1.00 0.00 N ATOM 1324 CA THR A 81 16.444 6.147 1.146 1.00 0.00 C ATOM 1325 C THR A 81 15.366 5.523 2.039 1.00 0.00 C ATOM 1326 O THR A 81 14.893 6.160 2.976 1.00 0.00 O ATOM 1327 CB THR A 81 16.232 7.654 0.886 1.00 0.00 C ATOM 1328 OG1 THR A 81 16.999 8.068 -0.229 1.00 0.00 O ATOM 1329 CG2 THR A 81 16.669 8.528 2.066 1.00 0.00 C ATOM 0 H THR A 81 15.664 5.092 -0.502 1.00 0.00 H new ATOM 0 HA THR A 81 17.377 6.045 1.701 1.00 0.00 H new ATOM 0 HB THR A 81 15.162 7.779 0.719 1.00 0.00 H new ATOM 0 HG1 THR A 81 16.857 9.025 -0.387 1.00 0.00 H new ATOM 0 HG21 THR A 81 16.496 9.577 1.825 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.092 8.259 2.951 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.730 8.371 2.262 1.00 0.00 H new ATOM 1337 N ARG A 82 14.953 4.284 1.740 1.00 0.00 N ATOM 1338 CA ARG A 82 13.794 3.640 2.356 1.00 0.00 C ATOM 1339 C ARG A 82 12.575 4.579 2.320 1.00 0.00 C ATOM 1340 O ARG A 82 11.727 4.549 3.211 1.00 0.00 O ATOM 1341 CB ARG A 82 14.153 3.207 3.788 1.00 0.00 C ATOM 1342 CG ARG A 82 13.262 2.068 4.303 1.00 0.00 C ATOM 1343 CD ARG A 82 13.314 1.988 5.833 1.00 0.00 C ATOM 1344 NE ARG A 82 14.690 1.822 6.321 1.00 0.00 N ATOM 1345 CZ ARG A 82 15.059 1.920 7.606 1.00 0.00 C ATOM 1346 NH1 ARG A 82 14.145 2.132 8.560 1.00 0.00 N ATOM 1347 NH2 ARG A 82 16.351 1.807 7.932 1.00 0.00 N ATOM 0 H ARG A 82 15.424 3.696 1.053 1.00 0.00 H new ATOM 0 HA ARG A 82 13.522 2.748 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.195 2.889 3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 82 14.063 4.064 4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.234 2.228 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.589 1.121 3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.883 2.894 6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.703 1.153 6.175 1.00 0.00 H new ATOM 0 HE ARG A 82 15.415 1.618 5.634 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.160 2.220 8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.434 2.205 9.536 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.048 1.647 7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.639 1.881 8.908 1.00 0.00 H new ATOM 1361 N GLY A 83 12.492 5.434 1.297 1.00 0.00 N ATOM 1362 CA GLY A 83 11.532 6.529 1.273 1.00 0.00 C ATOM 1363 C GLY A 83 10.260 6.061 0.600 1.00 0.00 C ATOM 1364 O GLY A 83 10.327 5.544 -0.515 1.00 0.00 O ATOM 0 H GLY A 83 13.086 5.383 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.319 6.864 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.948 7.382 0.737 1.00 0.00 H new ATOM 1368 N ARG A 84 9.119 6.214 1.274 1.00 0.00 N ATOM 1369 CA ARG A 84 7.845 5.744 0.759 1.00 0.00 C ATOM 1370 C ARG A 84 7.046 6.849 0.095 1.00 0.00 C ATOM 1371 O ARG A 84 7.345 8.035 0.226 1.00 0.00 O ATOM 1372 CB ARG A 84 7.012 5.054 1.833 1.00 0.00 C ATOM 1373 CG ARG A 84 7.776 3.878 2.452 1.00 0.00 C ATOM 1374 CD ARG A 84 6.841 2.986 3.280 1.00 0.00 C ATOM 1375 NE ARG A 84 7.384 1.627 3.431 1.00 0.00 N ATOM 1376 CZ ARG A 84 8.441 1.275 4.171 1.00 0.00 C ATOM 1377 NH1 ARG A 84 9.096 2.187 4.903 1.00 0.00 N ATOM 1378 NH2 ARG A 84 8.851 0.008 4.160 1.00 0.00 N ATOM 0 H ARG A 84 9.058 6.665 2.187 1.00 0.00 H new ATOM 0 HA ARG A 84 8.086 5.006 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.749 5.771 2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.078 4.697 1.400 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.242 3.288 1.663 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.579 4.255 3.085 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.690 3.430 4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.864 2.937 2.800 1.00 0.00 H new ATOM 0 HE ARG A 84 6.909 0.882 2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.789 3.160 4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.901 1.908 5.464 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.360 -0.682 3.591 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.656 -0.272 4.720 1.00 0.00 H new ATOM 1392 N LYS A 85 6.009 6.417 -0.621 1.00 0.00 N ATOM 1393 CA LYS A 85 5.212 7.257 -1.498 1.00 0.00 C ATOM 1394 C LYS A 85 3.899 6.573 -1.867 1.00 0.00 C ATOM 1395 O LYS A 85 3.902 5.428 -2.316 1.00 0.00 O ATOM 1396 CB LYS A 85 6.033 7.635 -2.738 1.00 0.00 C ATOM 1397 CG LYS A 85 6.462 6.406 -3.553 1.00 0.00 C ATOM 1398 CD LYS A 85 7.785 6.639 -4.284 1.00 0.00 C ATOM 1399 CE LYS A 85 7.734 7.793 -5.295 1.00 0.00 C ATOM 1400 NZ LYS A 85 6.724 7.564 -6.343 1.00 0.00 N ATOM 0 H LYS A 85 5.696 5.446 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 85 4.949 8.175 -0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.445 8.300 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.919 8.190 -2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.560 5.547 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.685 6.162 -4.278 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.565 6.844 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.069 5.724 -4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.510 8.723 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.714 7.915 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.780 8.324 -7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.902 6.648 -6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.776 7.558 -5.916 1.00 0.00 H new ATOM 1414 N LEU A 86 2.781 7.275 -1.675 1.00 0.00 N ATOM 1415 CA LEU A 86 1.475 6.846 -2.146 1.00 0.00 C ATOM 1416 C LEU A 86 1.491 6.862 -3.676 1.00 0.00 C ATOM 1417 O LEU A 86 1.744 7.911 -4.263 1.00 0.00 O ATOM 1418 CB LEU A 86 0.422 7.818 -1.590 1.00 0.00 C ATOM 1419 CG LEU A 86 -1.022 7.530 -2.039 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.529 6.201 -1.471 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.930 8.663 -1.547 1.00 0.00 C ATOM 0 H LEU A 86 2.763 8.167 -1.181 1.00 0.00 H new ATOM 0 HA LEU A 86 1.234 5.838 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.461 7.791 -0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.687 8.831 -1.893 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.038 7.465 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.551 6.028 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.890 5.389 -1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.507 6.239 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.956 8.469 -1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.886 8.718 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.594 9.609 -1.972 1.00 0.00 H new ATOM 1433 N LEU A 87 1.220 5.726 -4.325 1.00 0.00 N ATOM 1434 CA LEU A 87 1.005 5.696 -5.766 1.00 0.00 C ATOM 1435 C LEU A 87 -0.449 6.045 -6.041 1.00 0.00 C ATOM 1436 O LEU A 87 -0.718 6.909 -6.874 1.00 0.00 O ATOM 1437 CB LEU A 87 1.365 4.329 -6.367 1.00 0.00 C ATOM 1438 CG LEU A 87 2.795 4.300 -6.927 1.00 0.00 C ATOM 1439 CD1 LEU A 87 3.833 4.670 -5.865 1.00 0.00 C ATOM 1440 CD2 LEU A 87 3.098 2.906 -7.488 1.00 0.00 C ATOM 0 H LEU A 87 1.145 4.816 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 87 1.660 6.426 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.260 3.559 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.660 4.087 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 87 2.858 5.044 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.830 4.637 -6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.633 5.676 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.777 3.961 -5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.113 2.886 -7.885 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.005 2.166 -6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.392 2.673 -8.285 1.00 0.00 H new ATOM 1452 N ARG A 88 -1.388 5.376 -5.364 1.00 0.00 N ATOM 1453 CA ARG A 88 -2.804 5.657 -5.551 1.00 0.00 C ATOM 1454 C ARG A 88 -3.619 5.109 -4.386 1.00 0.00 C ATOM 1455 O ARG A 88 -3.156 4.238 -3.649 1.00 0.00 O ATOM 1456 CB ARG A 88 -3.302 5.069 -6.887 1.00 0.00 C ATOM 1457 CG ARG A 88 -4.094 6.081 -7.740 1.00 0.00 C ATOM 1458 CD ARG A 88 -3.590 6.096 -9.189 1.00 0.00 C ATOM 1459 NE ARG A 88 -2.177 6.483 -9.211 1.00 0.00 N ATOM 1460 CZ ARG A 88 -1.401 6.619 -10.291 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -1.898 6.426 -11.517 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -0.119 6.950 -10.114 1.00 0.00 N ATOM 0 H ARG A 88 -1.188 4.641 -4.686 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.937 6.738 -5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.447 4.712 -7.460 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.933 4.204 -6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.153 5.825 -7.723 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.000 7.078 -7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.715 5.111 -9.639 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.179 6.795 -9.783 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.740 6.668 -8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.879 6.172 -11.636 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.296 6.533 -12.334 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.246 7.092 -9.172 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.495 7.060 -10.921 1.00 0.00 H new ATOM 1476 N PHE A 89 -4.840 5.627 -4.249 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.832 5.171 -3.293 1.00 0.00 C ATOM 1478 C PHE A 89 -7.112 4.902 -4.078 1.00 0.00 C ATOM 1479 O PHE A 89 -7.976 5.767 -4.199 1.00 0.00 O ATOM 1480 CB PHE A 89 -6.006 6.234 -2.208 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.701 5.713 -0.972 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -5.939 5.172 0.079 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -8.079 5.923 -0.800 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -6.549 4.882 1.311 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -8.688 5.626 0.431 1.00 0.00 C ATOM 1486 CZ PHE A 89 -7.925 5.099 1.486 1.00 0.00 C ATOM 0 H PHE A 89 -5.170 6.402 -4.824 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.536 4.254 -2.783 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.027 6.624 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.578 7.069 -2.614 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.886 4.980 -0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.671 6.313 -1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.958 4.491 2.126 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -9.745 5.803 0.566 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.395 4.861 2.429 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.195 3.724 -4.695 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.240 3.411 -5.654 1.00 0.00 C ATOM 1498 C ASN A 90 -9.479 2.962 -4.896 1.00 0.00 C ATOM 1499 O ASN A 90 -9.383 2.190 -3.944 1.00 0.00 O ATOM 1500 CB ASN A 90 -7.800 2.290 -6.597 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.407 2.504 -7.179 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.430 1.961 -6.677 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -6.297 3.298 -8.242 1.00 0.00 N ATOM 0 H ASN A 90 -6.535 2.962 -4.540 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.450 4.301 -6.248 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.820 1.343 -6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.518 2.208 -7.413 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.382 3.467 -8.659 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.128 3.737 -8.639 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.644 3.428 -5.330 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.918 3.106 -4.713 1.00 0.00 C ATOM 1512 C GLY A 91 -12.819 4.343 -4.676 1.00 0.00 C ATOM 1513 O GLY A 91 -12.510 5.340 -5.336 1.00 0.00 O ATOM 0 H GLY A 91 -10.728 4.050 -6.134 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.408 2.308 -5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.756 2.735 -3.701 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.916 4.305 -3.904 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.318 3.189 -3.058 1.00 0.00 C ATOM 1519 C PRO A 92 -14.742 1.991 -3.908 1.00 0.00 C ATOM 1520 O PRO A 92 -15.165 2.164 -5.049 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.492 3.716 -2.230 1.00 0.00 C ATOM 1522 CG PRO A 92 -16.109 4.785 -3.133 1.00 0.00 C ATOM 1523 CD PRO A 92 -14.890 5.380 -3.841 1.00 0.00 C ATOM 0 HA PRO A 92 -13.501 2.842 -2.425 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -16.206 2.926 -1.996 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.158 4.135 -1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.818 4.356 -3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.649 5.537 -2.558 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.149 5.734 -4.839 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.496 6.235 -3.292 1.00 0.00 H new ATOM 1531 N VAL A 93 -14.631 0.780 -3.358 1.00 0.00 N ATOM 1532 CA VAL A 93 -15.115 -0.442 -3.990 1.00 0.00 C ATOM 1533 C VAL A 93 -15.681 -1.336 -2.889 1.00 0.00 C ATOM 1534 O VAL A 93 -15.204 -1.262 -1.761 1.00 0.00 O ATOM 1535 CB VAL A 93 -13.989 -1.162 -4.763 1.00 0.00 C ATOM 1536 CG1 VAL A 93 -13.791 -0.566 -6.161 1.00 0.00 C ATOM 1537 CG2 VAL A 93 -12.650 -1.168 -4.011 1.00 0.00 C ATOM 0 H VAL A 93 -14.196 0.622 -2.449 1.00 0.00 H new ATOM 0 HA VAL A 93 -15.887 -0.203 -4.721 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.319 -2.196 -4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.990 -1.099 -6.674 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.715 -0.662 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.527 0.488 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.900 -1.689 -4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -12.326 -0.142 -3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -12.772 -1.678 -3.055 1.00 0.00 H new ATOM 1547 N PRO A 94 -16.694 -2.169 -3.164 1.00 0.00 N ATOM 1548 CA PRO A 94 -17.162 -3.140 -2.193 1.00 0.00 C ATOM 1549 C PRO A 94 -16.133 -4.272 -2.080 1.00 0.00 C ATOM 1550 O PRO A 94 -15.380 -4.515 -3.025 1.00 0.00 O ATOM 1551 CB PRO A 94 -18.490 -3.649 -2.761 1.00 0.00 C ATOM 1552 CG PRO A 94 -18.277 -3.550 -4.273 1.00 0.00 C ATOM 1553 CD PRO A 94 -17.409 -2.299 -4.423 1.00 0.00 C ATOM 0 HA PRO A 94 -17.293 -2.725 -1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -18.697 -4.673 -2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -19.331 -3.039 -2.431 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -17.779 -4.435 -4.668 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -19.222 -3.451 -4.807 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -16.717 -2.400 -5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -18.020 -1.418 -4.620 1.00 0.00 H new ATOM 1561 N PRO A 95 -16.089 -4.994 -0.951 1.00 0.00 N ATOM 1562 CA PRO A 95 -15.304 -6.212 -0.856 1.00 0.00 C ATOM 1563 C PRO A 95 -15.925 -7.274 -1.777 1.00 0.00 C ATOM 1564 O PRO A 95 -17.148 -7.309 -1.923 1.00 0.00 O ATOM 1565 CB PRO A 95 -15.376 -6.621 0.617 1.00 0.00 C ATOM 1566 CG PRO A 95 -16.733 -6.074 1.065 1.00 0.00 C ATOM 1567 CD PRO A 95 -16.878 -4.786 0.252 1.00 0.00 C ATOM 0 HA PRO A 95 -14.267 -6.087 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.318 -7.703 0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -14.558 -6.191 1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -17.540 -6.776 0.854 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -16.754 -5.878 2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -17.922 -4.592 0.007 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -16.517 -3.925 0.814 1.00 0.00 H new ATOM 1575 N PRO A 96 -15.122 -8.143 -2.408 1.00 0.00 N ATOM 1576 CA PRO A 96 -15.635 -9.189 -3.281 1.00 0.00 C ATOM 1577 C PRO A 96 -16.386 -10.252 -2.472 1.00 0.00 C ATOM 1578 O PRO A 96 -17.344 -10.821 -3.039 1.00 0.00 O ATOM 1579 CB PRO A 96 -14.404 -9.766 -3.983 1.00 0.00 C ATOM 1580 CG PRO A 96 -13.283 -9.538 -2.969 1.00 0.00 C ATOM 1581 CD PRO A 96 -13.673 -8.210 -2.315 1.00 0.00 C ATOM 1582 OXT PRO A 96 -15.981 -10.495 -1.313 1.00 0.00 O ATOM 0 HA PRO A 96 -16.356 -8.808 -4.004 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -14.530 -10.824 -4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -14.203 -9.258 -4.926 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.228 -10.346 -2.240 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.308 -9.479 -3.452 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.344 -8.172 -1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -13.207 -7.368 -2.828 1.00 0.00 H new TER 1590 PRO A 96