USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 811 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 111 SER OG : rot 44:sc= 2.07 USER MOD Set 1.2: A 113 TYR OH : rot 25:sc= 0.853 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.69) USER MOD Single : A 25 ASN : amide:sc=-0.00213 K(o=-0.0021,f=-7.4!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0659 USER MOD Single : A 37 LYS NZ :NH3+ -110:sc= -0.163 (180deg=-1.06) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0694) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -2.63! C(o=-2.6!,f=-3.4!) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0123) USER MOD Single : A 54 ASN : amide:sc= -0.306 X(o=-0.31,f=0) USER MOD Single : A 55 THR OG1 : rot -140:sc= -2.46 USER MOD Single : A 58 THR OG1 : rot -44:sc= 0.29 USER MOD Single : A 62 LYS NZ :NH3+ -105:sc= 2.1 (180deg=-2.24!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.051) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -3.22 K(o=-3.2,f=-4.1!) USER MOD Single : A 83 SER OG : rot 1:sc= -0.884! USER MOD Single : A 92 GLN : amide:sc= -0.058 K(o=-0.058,f=-2.9!) USER MOD Single : A 100 GLN : amide:sc= -0.374 X(o=-0.37,f=0.025) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.672 K(o=-0.67,f=-3!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= -0.0693 X(o=-0.069,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 21 1.531 0.302 -13.148 1.00 0.00 N ATOM 2 CA ALA A 21 1.192 -1.096 -13.510 1.00 0.00 C ATOM 3 C ALA A 21 2.420 -1.996 -13.429 1.00 0.00 C ATOM 4 O ALA A 21 2.417 -3.007 -12.726 1.00 0.00 O ATOM 5 CB ALA A 21 0.596 -1.142 -14.909 1.00 0.00 C ATOM 0 HA ALA A 21 0.456 -1.465 -12.796 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.350 -2.172 -15.166 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.309 -0.535 -14.939 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.319 -0.752 -15.625 1.00 0.00 H new ATOM 13 N MET A 22 3.470 -1.623 -14.155 1.00 0.00 N ATOM 14 CA MET A 22 4.706 -2.397 -14.172 1.00 0.00 C ATOM 15 C MET A 22 5.525 -2.132 -12.906 1.00 0.00 C ATOM 16 O MET A 22 5.437 -1.058 -12.311 1.00 0.00 O ATOM 17 CB MET A 22 5.533 -2.059 -15.407 1.00 0.00 C ATOM 18 CG MET A 22 4.716 -2.011 -16.687 1.00 0.00 C ATOM 19 SD MET A 22 4.294 -0.328 -17.188 1.00 0.00 S ATOM 20 CE MET A 22 3.737 -0.597 -18.861 1.00 0.00 C ATOM 0 H MET A 22 3.489 -0.788 -14.740 1.00 0.00 H new ATOM 0 HA MET A 22 4.443 -3.454 -14.204 1.00 0.00 H new ATOM 0 HB2 MET A 22 6.017 -1.094 -15.258 1.00 0.00 H new ATOM 0 HB3 MET A 22 6.325 -2.799 -15.518 1.00 0.00 H new ATOM 0 HG2 MET A 22 5.276 -2.494 -17.488 1.00 0.00 H new ATOM 0 HG3 MET A 22 3.799 -2.584 -16.549 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.442 0.354 -19.304 1.00 0.00 H new ATOM 0 HE2 MET A 22 4.545 -1.035 -19.447 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.884 -1.275 -18.856 1.00 0.00 H new ATOM 30 N ALA A 23 6.321 -3.118 -12.512 1.00 0.00 N ATOM 31 CA ALA A 23 7.155 -2.990 -11.324 1.00 0.00 C ATOM 32 C ALA A 23 8.149 -1.843 -11.463 1.00 0.00 C ATOM 33 O ALA A 23 8.862 -1.751 -12.462 1.00 0.00 O ATOM 34 CB ALA A 23 7.889 -4.295 -11.045 1.00 0.00 C ATOM 0 H ALA A 23 6.407 -4.012 -12.996 1.00 0.00 H new ATOM 0 HA ALA A 23 6.501 -2.766 -10.481 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.507 -4.182 -10.154 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.164 -5.093 -10.884 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.522 -4.546 -11.896 1.00 0.00 H new ATOM 40 N GLN A 24 8.190 -0.971 -10.461 1.00 0.00 N ATOM 41 CA GLN A 24 9.098 0.173 -10.478 1.00 0.00 C ATOM 42 C GLN A 24 10.019 0.156 -9.265 1.00 0.00 C ATOM 43 O GLN A 24 9.727 -0.486 -8.257 1.00 0.00 O ATOM 44 CB GLN A 24 8.316 1.489 -10.524 1.00 0.00 C ATOM 45 CG GLN A 24 6.943 1.412 -9.867 1.00 0.00 C ATOM 46 CD GLN A 24 6.208 2.738 -9.901 1.00 0.00 C ATOM 47 OE1 GLN A 24 6.811 3.800 -9.768 1.00 0.00 O ATOM 48 NE2 GLN A 24 4.894 2.680 -10.089 1.00 0.00 N ATOM 0 H GLN A 24 7.606 -1.033 -9.627 1.00 0.00 H new ATOM 0 HA GLN A 24 9.708 0.098 -11.378 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.901 2.266 -10.032 1.00 0.00 H new ATOM 0 HB3 GLN A 24 8.194 1.792 -11.564 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.344 0.655 -10.373 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.057 1.090 -8.832 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.433 1.776 -10.195 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.346 3.539 -10.128 1.00 0.00 H new ATOM 57 N ASN A 25 11.135 0.867 -9.373 1.00 0.00 N ATOM 58 CA ASN A 25 12.106 0.939 -8.296 1.00 0.00 C ATOM 59 C ASN A 25 12.186 2.353 -7.723 1.00 0.00 C ATOM 60 O ASN A 25 12.718 3.259 -8.372 1.00 0.00 O ATOM 61 CB ASN A 25 13.485 0.493 -8.778 1.00 0.00 C ATOM 62 CG ASN A 25 13.938 1.260 -10.006 1.00 0.00 C ATOM 63 OD1 ASN A 25 13.127 1.860 -10.710 1.00 0.00 O ATOM 64 ND2 ASN A 25 15.239 1.243 -10.266 1.00 0.00 N ATOM 0 H ASN A 25 11.388 1.404 -10.203 1.00 0.00 H new ATOM 0 HA ASN A 25 11.775 0.264 -7.507 1.00 0.00 H new ATOM 0 HB2 ASN A 25 14.211 0.632 -7.977 1.00 0.00 H new ATOM 0 HB3 ASN A 25 13.461 -0.573 -9.005 1.00 0.00 H new ATOM 0 HD21 ASN A 25 15.603 1.741 -11.078 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.875 0.732 -9.654 1.00 0.00 H new ATOM 71 N ILE A 26 11.655 2.535 -6.519 1.00 0.00 N ATOM 72 CA ILE A 26 11.667 3.839 -5.866 1.00 0.00 C ATOM 73 C ILE A 26 12.608 3.845 -4.667 1.00 0.00 C ATOM 74 O ILE A 26 12.636 2.896 -3.882 1.00 0.00 O ATOM 75 CB ILE A 26 10.255 4.248 -5.408 1.00 0.00 C ATOM 76 CG1 ILE A 26 9.251 4.106 -6.546 1.00 0.00 C ATOM 77 CG2 ILE A 26 10.264 5.675 -4.871 1.00 0.00 C ATOM 78 CD1 ILE A 26 7.917 3.540 -6.120 1.00 0.00 C ATOM 0 H ILE A 26 11.211 1.795 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 26 12.023 4.561 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 26 9.948 3.578 -4.605 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.091 5.084 -7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.678 3.463 -7.316 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.259 5.950 -4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.945 5.740 -4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.594 6.357 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.258 3.470 -6.986 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.062 2.548 -5.693 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.466 4.193 -5.373 1.00 0.00 H new ATOM 90 N THR A 27 13.376 4.920 -4.529 1.00 0.00 N ATOM 91 CA THR A 27 14.319 5.050 -3.432 1.00 0.00 C ATOM 92 C THR A 27 13.646 5.680 -2.209 1.00 0.00 C ATOM 93 O THR A 27 12.943 6.684 -2.327 1.00 0.00 O ATOM 94 CB THR A 27 15.526 5.888 -3.856 1.00 0.00 C ATOM 95 OG1 THR A 27 15.187 6.750 -4.922 1.00 0.00 O ATOM 96 CG2 THR A 27 16.711 5.054 -4.292 1.00 0.00 C ATOM 0 H THR A 27 13.361 5.715 -5.168 1.00 0.00 H new ATOM 0 HA THR A 27 14.663 4.051 -3.163 1.00 0.00 H new ATOM 0 HB THR A 27 15.811 6.454 -2.969 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.972 7.279 -5.177 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.532 5.711 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 27 17.029 4.415 -3.468 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.427 4.435 -5.143 1.00 0.00 H new ATOM 104 N ALA A 28 13.864 5.083 -1.042 1.00 0.00 N ATOM 105 CA ALA A 28 13.276 5.584 0.179 1.00 0.00 C ATOM 106 C ALA A 28 14.303 5.619 1.306 1.00 0.00 C ATOM 107 O ALA A 28 15.331 4.944 1.247 1.00 0.00 O ATOM 108 CB ALA A 28 12.082 4.731 0.579 1.00 0.00 C ATOM 0 H ALA A 28 14.444 4.253 -0.924 1.00 0.00 H new ATOM 0 HA ALA A 28 12.936 6.604 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.649 5.120 1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.334 4.758 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 28 12.406 3.702 0.737 1.00 0.00 H new ATOM 114 N ARG A 29 14.017 6.413 2.334 1.00 0.00 N ATOM 115 CA ARG A 29 14.913 6.538 3.478 1.00 0.00 C ATOM 116 C ARG A 29 14.284 5.939 4.740 1.00 0.00 C ATOM 117 O ARG A 29 13.099 6.135 4.998 1.00 0.00 O ATOM 118 CB ARG A 29 15.260 8.008 3.718 1.00 0.00 C ATOM 119 CG ARG A 29 16.225 8.224 4.873 1.00 0.00 C ATOM 120 CD ARG A 29 15.978 9.555 5.562 1.00 0.00 C ATOM 121 NE ARG A 29 16.185 9.471 7.006 1.00 0.00 N ATOM 122 CZ ARG A 29 16.392 10.529 7.796 1.00 0.00 C ATOM 123 NH1 ARG A 29 16.417 11.751 7.280 1.00 0.00 N ATOM 124 NH2 ARG A 29 16.573 10.363 9.100 1.00 0.00 N ATOM 0 H ARG A 29 13.171 6.980 2.398 1.00 0.00 H new ATOM 0 HA ARG A 29 15.825 5.984 3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 29 15.695 8.423 2.809 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.342 8.562 3.914 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.118 7.414 5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 29 17.250 8.189 4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 29 16.645 10.309 5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.958 9.884 5.360 1.00 0.00 H new ATOM 0 HE ARG A 29 16.171 8.547 7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.278 11.885 6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.575 12.557 7.885 1.00 0.00 H new ATOM 0 HH21 ARG A 29 16.554 9.426 9.502 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.731 11.173 9.700 1.00 0.00 H new ATOM 138 N ILE A 30 15.087 5.205 5.497 1.00 0.00 N ATOM 139 CA ILE A 30 14.609 4.574 6.723 1.00 0.00 C ATOM 140 C ILE A 30 14.149 5.613 7.742 1.00 0.00 C ATOM 141 O ILE A 30 14.826 6.613 7.973 1.00 0.00 O ATOM 142 CB ILE A 30 15.695 3.687 7.371 1.00 0.00 C ATOM 143 CG1 ILE A 30 17.062 4.374 7.320 1.00 0.00 C ATOM 144 CG2 ILE A 30 15.752 2.333 6.683 1.00 0.00 C ATOM 145 CD1 ILE A 30 17.815 4.335 8.632 1.00 0.00 C ATOM 0 H ILE A 30 16.070 5.031 5.286 1.00 0.00 H new ATOM 0 HA ILE A 30 13.763 3.949 6.436 1.00 0.00 H new ATOM 0 HB ILE A 30 15.432 3.534 8.418 1.00 0.00 H new ATOM 0 HG12 ILE A 30 17.669 3.898 6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 30 16.925 5.413 7.021 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.522 1.719 7.151 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.786 1.837 6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.989 2.471 5.628 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.773 4.841 8.517 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.230 4.837 9.402 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.985 3.298 8.923 1.00 0.00 H new ATOM 157 N GLY A 31 12.993 5.362 8.349 1.00 0.00 N ATOM 158 CA GLY A 31 12.459 6.277 9.342 1.00 0.00 C ATOM 159 C GLY A 31 11.947 7.573 8.739 1.00 0.00 C ATOM 160 O GLY A 31 11.599 8.504 9.466 1.00 0.00 O ATOM 0 H GLY A 31 12.416 4.540 8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.647 5.787 9.880 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.235 6.504 10.073 1.00 0.00 H new ATOM 164 N GLU A 32 11.897 7.639 7.420 1.00 0.00 N ATOM 165 CA GLU A 32 11.423 8.836 6.736 1.00 0.00 C ATOM 166 C GLU A 32 9.952 8.695 6.335 1.00 0.00 C ATOM 167 O GLU A 32 9.543 7.658 5.820 1.00 0.00 O ATOM 168 CB GLU A 32 12.269 9.104 5.481 1.00 0.00 C ATOM 169 CG GLU A 32 12.230 10.551 5.019 1.00 0.00 C ATOM 170 CD GLU A 32 13.106 11.456 5.872 1.00 0.00 C ATOM 171 OE1 GLU A 32 13.385 11.095 7.027 1.00 0.00 O ATOM 172 OE2 GLU A 32 13.512 12.525 5.372 1.00 0.00 O ATOM 0 H GLU A 32 12.178 6.880 6.799 1.00 0.00 H new ATOM 0 HA GLU A 32 11.520 9.674 7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.303 8.824 5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.917 8.463 4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.557 10.607 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.202 10.912 5.049 1.00 0.00 H new ATOM 179 N PRO A 33 9.131 9.736 6.577 1.00 0.00 N ATOM 180 CA PRO A 33 7.705 9.709 6.237 1.00 0.00 C ATOM 181 C PRO A 33 7.478 9.650 4.729 1.00 0.00 C ATOM 182 O PRO A 33 8.090 10.402 3.971 1.00 0.00 O ATOM 183 CB PRO A 33 7.162 11.030 6.812 1.00 0.00 C ATOM 184 CG PRO A 33 8.218 11.529 7.740 1.00 0.00 C ATOM 185 CD PRO A 33 9.520 11.012 7.204 1.00 0.00 C ATOM 0 HA PRO A 33 7.209 8.826 6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.965 11.751 6.019 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.221 10.871 7.339 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.218 12.618 7.781 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.045 11.172 8.755 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.962 11.699 6.482 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.254 10.866 7.996 1.00 0.00 H new ATOM 193 N LEU A 34 6.598 8.752 4.299 1.00 0.00 N ATOM 194 CA LEU A 34 6.297 8.599 2.879 1.00 0.00 C ATOM 195 C LEU A 34 4.793 8.501 2.643 1.00 0.00 C ATOM 196 O LEU A 34 4.064 7.930 3.453 1.00 0.00 O ATOM 197 CB LEU A 34 6.995 7.358 2.318 1.00 0.00 C ATOM 198 CG LEU A 34 8.366 7.617 1.689 1.00 0.00 C ATOM 199 CD1 LEU A 34 9.426 7.772 2.769 1.00 0.00 C ATOM 200 CD2 LEU A 34 8.733 6.493 0.733 1.00 0.00 C ATOM 0 H LEU A 34 6.082 8.120 4.911 1.00 0.00 H new ATOM 0 HA LEU A 34 6.668 9.483 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.112 6.631 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.348 6.903 1.568 1.00 0.00 H new ATOM 0 HG LEU A 34 8.317 8.546 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.395 7.956 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.168 8.612 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.476 6.860 3.364 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.711 6.693 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.765 5.549 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.986 6.430 -0.059 1.00 0.00 H new ATOM 212 N VAL A 35 4.338 9.059 1.526 1.00 0.00 N ATOM 213 CA VAL A 35 2.922 9.034 1.179 1.00 0.00 C ATOM 214 C VAL A 35 2.703 8.399 -0.174 1.00 0.00 C ATOM 215 O VAL A 35 3.440 8.673 -1.121 1.00 0.00 O ATOM 216 CB VAL A 35 2.315 10.449 1.178 1.00 0.00 C ATOM 217 CG1 VAL A 35 0.806 10.384 0.994 1.00 0.00 C ATOM 218 CG2 VAL A 35 2.671 11.186 2.468 1.00 0.00 C ATOM 0 H VAL A 35 4.930 9.534 0.845 1.00 0.00 H new ATOM 0 HA VAL A 35 2.422 8.437 1.941 1.00 0.00 H new ATOM 0 HB VAL A 35 2.737 11.004 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.395 11.394 0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.576 9.901 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.364 9.811 1.809 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.234 12.184 2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.279 10.634 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.755 11.266 2.554 1.00 0.00 H new ATOM 228 N LEU A 36 1.684 7.551 -0.273 1.00 0.00 N ATOM 229 CA LEU A 36 1.369 6.878 -1.536 1.00 0.00 C ATOM 230 C LEU A 36 -0.100 7.070 -1.893 1.00 0.00 C ATOM 231 O LEU A 36 -0.986 6.908 -1.054 1.00 0.00 O ATOM 232 CB LEU A 36 1.692 5.386 -1.436 1.00 0.00 C ATOM 233 CG LEU A 36 2.873 4.923 -2.282 1.00 0.00 C ATOM 234 CD1 LEU A 36 3.259 3.496 -1.936 1.00 0.00 C ATOM 235 CD2 LEU A 36 2.537 5.035 -3.762 1.00 0.00 C ATOM 0 H LEU A 36 1.063 7.312 0.500 1.00 0.00 H new ATOM 0 HA LEU A 36 1.980 7.321 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.894 5.143 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.809 4.818 -1.730 1.00 0.00 H new ATOM 0 HG LEU A 36 3.724 5.569 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.104 3.188 -2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.538 3.439 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.413 2.835 -2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.389 4.701 -4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.672 4.411 -3.987 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.309 6.073 -4.006 1.00 0.00 H new ATOM 247 N LYS A 37 -0.352 7.413 -3.160 1.00 0.00 N ATOM 248 CA LYS A 37 -1.712 7.624 -3.630 1.00 0.00 C ATOM 249 C LYS A 37 -2.163 6.468 -4.518 1.00 0.00 C ATOM 250 O LYS A 37 -1.447 6.060 -5.440 1.00 0.00 O ATOM 251 CB LYS A 37 -1.806 8.942 -4.401 1.00 0.00 C ATOM 252 CG LYS A 37 -1.991 10.157 -3.507 1.00 0.00 C ATOM 253 CD LYS A 37 -0.657 10.692 -3.011 1.00 0.00 C ATOM 254 CE LYS A 37 0.093 11.427 -4.110 1.00 0.00 C ATOM 255 NZ LYS A 37 1.180 10.593 -4.694 1.00 0.00 N ATOM 0 H LYS A 37 0.368 7.548 -3.870 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.370 7.671 -2.762 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.901 9.072 -4.994 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.640 8.886 -5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.516 10.938 -4.057 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.617 9.891 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.824 11.365 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.047 9.867 -2.642 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.605 11.715 -4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.517 12.347 -3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.104 10.981 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.094 9.617 -4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.103 10.598 -5.731 1.00 0.00 H new ATOM 269 N CYS A 38 -3.352 5.946 -4.248 1.00 0.00 N ATOM 270 CA CYS A 38 -3.898 4.836 -5.013 1.00 0.00 C ATOM 271 C CYS A 38 -5.403 4.994 -5.208 1.00 0.00 C ATOM 272 O CYS A 38 -6.167 4.950 -4.244 1.00 0.00 O ATOM 273 CB CYS A 38 -3.594 3.506 -4.321 1.00 0.00 C ATOM 274 SG CYS A 38 -3.154 2.156 -5.463 1.00 0.00 S ATOM 0 H CYS A 38 -3.960 6.277 -3.499 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.423 4.839 -5.994 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.775 3.654 -3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.464 3.205 -3.738 1.00 0.00 H new ATOM 279 N LYS A 39 -5.823 5.176 -6.456 1.00 0.00 N ATOM 280 CA LYS A 39 -7.238 5.340 -6.763 1.00 0.00 C ATOM 281 C LYS A 39 -7.852 4.020 -7.217 1.00 0.00 C ATOM 282 O LYS A 39 -7.205 2.974 -7.175 1.00 0.00 O ATOM 283 CB LYS A 39 -7.418 6.403 -7.856 1.00 0.00 C ATOM 284 CG LYS A 39 -6.794 6.022 -9.182 1.00 0.00 C ATOM 285 CD LYS A 39 -7.588 6.585 -10.356 1.00 0.00 C ATOM 286 CE LYS A 39 -8.649 5.606 -10.825 1.00 0.00 C ATOM 287 NZ LYS A 39 -8.767 5.593 -12.310 1.00 0.00 N ATOM 0 H LYS A 39 -5.206 5.213 -7.267 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.750 5.664 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.483 6.583 -8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.980 7.341 -7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.770 6.393 -9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.744 4.936 -9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.060 7.523 -10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.911 6.813 -11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.403 4.605 -10.470 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.610 5.873 -10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.501 4.913 -12.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.026 6.543 -12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.856 5.314 -12.728 1.00 0.00 H new ATOM 301 N GLY A 40 -9.108 4.077 -7.660 1.00 0.00 N ATOM 302 CA GLY A 40 -9.790 2.880 -8.109 1.00 0.00 C ATOM 303 C GLY A 40 -10.964 2.501 -7.226 1.00 0.00 C ATOM 304 O GLY A 40 -11.465 1.379 -7.297 1.00 0.00 O ATOM 0 H GLY A 40 -9.662 4.932 -7.715 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.143 3.031 -9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.081 2.053 -8.136 1.00 0.00 H new ATOM 308 N ALA A 41 -11.404 3.436 -6.389 1.00 0.00 N ATOM 309 CA ALA A 41 -12.525 3.191 -5.491 1.00 0.00 C ATOM 310 C ALA A 41 -13.814 2.952 -6.277 1.00 0.00 C ATOM 311 O ALA A 41 -14.177 3.751 -7.141 1.00 0.00 O ATOM 312 CB ALA A 41 -12.698 4.360 -4.534 1.00 0.00 C ATOM 0 H ALA A 41 -11.001 4.370 -6.315 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.309 2.292 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.539 4.164 -3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.790 4.485 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.889 5.270 -5.102 1.00 0.00 H new ATOM 318 N PRO A 42 -14.527 1.847 -5.990 1.00 0.00 N ATOM 319 CA PRO A 42 -15.779 1.517 -6.688 1.00 0.00 C ATOM 320 C PRO A 42 -16.785 2.663 -6.634 1.00 0.00 C ATOM 321 O PRO A 42 -16.479 3.751 -6.149 1.00 0.00 O ATOM 322 CB PRO A 42 -16.309 0.309 -5.912 1.00 0.00 C ATOM 323 CG PRO A 42 -15.102 -0.305 -5.285 1.00 0.00 C ATOM 324 CD PRO A 42 -14.173 0.836 -4.984 1.00 0.00 C ATOM 0 HA PRO A 42 -15.618 1.323 -7.748 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -17.035 0.612 -5.158 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -16.812 -0.396 -6.574 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.366 -0.845 -4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.634 -1.023 -5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -14.315 1.212 -3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.129 0.535 -5.068 1.00 0.00 H new ATOM 332 N LYS A 43 -17.987 2.408 -7.143 1.00 0.00 N ATOM 333 CA LYS A 43 -19.039 3.419 -7.159 1.00 0.00 C ATOM 334 C LYS A 43 -19.865 3.377 -5.877 1.00 0.00 C ATOM 335 O LYS A 43 -20.530 4.351 -5.525 1.00 0.00 O ATOM 336 CB LYS A 43 -19.948 3.220 -8.380 1.00 0.00 C ATOM 337 CG LYS A 43 -20.441 4.522 -8.982 1.00 0.00 C ATOM 338 CD LYS A 43 -21.630 4.293 -9.901 1.00 0.00 C ATOM 339 CE LYS A 43 -22.045 5.575 -10.605 1.00 0.00 C ATOM 340 NZ LYS A 43 -21.057 5.984 -11.642 1.00 0.00 N ATOM 0 H LYS A 43 -18.256 1.512 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 43 -18.564 4.398 -7.223 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.405 2.659 -9.141 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -20.807 2.614 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.723 5.210 -8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.633 4.995 -9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -21.377 3.535 -10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -22.469 3.906 -9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -23.021 5.435 -11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.153 6.374 -9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.446 6.770 -12.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.176 6.289 -11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.858 5.179 -12.269 1.00 0.00 H new ATOM 354 N LYS A 44 -19.820 2.245 -5.183 1.00 0.00 N ATOM 355 CA LYS A 44 -20.565 2.081 -3.941 1.00 0.00 C ATOM 356 C LYS A 44 -20.065 3.052 -2.874 1.00 0.00 C ATOM 357 O LYS A 44 -18.864 3.298 -2.772 1.00 0.00 O ATOM 358 CB LYS A 44 -20.442 0.642 -3.435 1.00 0.00 C ATOM 359 CG LYS A 44 -20.709 -0.405 -4.505 1.00 0.00 C ATOM 360 CD LYS A 44 -20.916 -1.783 -3.897 1.00 0.00 C ATOM 361 CE LYS A 44 -20.517 -2.886 -4.865 1.00 0.00 C ATOM 362 NZ LYS A 44 -19.252 -3.556 -4.455 1.00 0.00 N ATOM 0 H LYS A 44 -19.276 1.428 -5.460 1.00 0.00 H new ATOM 0 HA LYS A 44 -21.613 2.300 -4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -19.440 0.491 -3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -21.141 0.494 -2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -21.592 -0.123 -5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.872 -0.436 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -20.329 -1.870 -2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.962 -1.905 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -21.316 -3.625 -4.923 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -20.398 -2.466 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -19.016 -4.301 -5.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -18.483 -2.857 -4.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -19.373 -3.979 -3.513 1.00 0.00 H new ATOM 376 N PRO A 45 -20.981 3.621 -2.067 1.00 0.00 N ATOM 377 CA PRO A 45 -20.617 4.566 -1.007 1.00 0.00 C ATOM 378 C PRO A 45 -19.619 3.973 -0.020 1.00 0.00 C ATOM 379 O PRO A 45 -18.634 4.620 0.330 1.00 0.00 O ATOM 380 CB PRO A 45 -21.948 4.874 -0.320 1.00 0.00 C ATOM 381 CG PRO A 45 -22.997 4.518 -1.316 1.00 0.00 C ATOM 382 CD PRO A 45 -22.435 3.386 -2.122 1.00 0.00 C ATOM 0 HA PRO A 45 -20.123 5.452 -1.405 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -22.062 4.293 0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -22.012 5.926 -0.040 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -23.922 4.222 -0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -23.235 5.370 -1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.703 2.418 -1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -22.806 3.398 -3.147 1.00 0.00 H new ATOM 390 N PRO A 46 -19.857 2.732 0.437 1.00 0.00 N ATOM 391 CA PRO A 46 -18.964 2.067 1.393 1.00 0.00 C ATOM 392 C PRO A 46 -17.519 2.034 0.916 1.00 0.00 C ATOM 393 O PRO A 46 -16.585 2.149 1.702 1.00 0.00 O ATOM 394 CB PRO A 46 -19.528 0.646 1.485 1.00 0.00 C ATOM 395 CG PRO A 46 -20.957 0.778 1.090 1.00 0.00 C ATOM 396 CD PRO A 46 -21.004 1.879 0.069 1.00 0.00 C ATOM 0 HA PRO A 46 -18.935 2.591 2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -18.995 -0.035 0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -19.432 0.247 2.495 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -21.335 -0.156 0.674 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -21.580 1.018 1.952 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -20.908 1.491 -0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -21.944 2.428 0.113 1.00 0.00 H new ATOM 404 N GLN A 47 -17.341 1.874 -0.383 1.00 0.00 N ATOM 405 CA GLN A 47 -16.009 1.823 -0.973 1.00 0.00 C ATOM 406 C GLN A 47 -15.222 0.632 -0.444 1.00 0.00 C ATOM 407 O GLN A 47 -14.861 0.594 0.732 1.00 0.00 O ATOM 408 CB GLN A 47 -15.252 3.124 -0.689 1.00 0.00 C ATOM 409 CG GLN A 47 -15.244 4.090 -1.863 1.00 0.00 C ATOM 410 CD GLN A 47 -14.096 5.078 -1.797 1.00 0.00 C ATOM 411 OE1 GLN A 47 -12.960 4.709 -1.497 1.00 0.00 O ATOM 412 NE2 GLN A 47 -14.387 6.343 -2.077 1.00 0.00 N ATOM 0 H GLN A 47 -18.103 1.777 -1.054 1.00 0.00 H new ATOM 0 HA GLN A 47 -16.121 1.706 -2.051 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -15.702 3.616 0.173 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -14.224 2.885 -0.418 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.179 3.525 -2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.187 4.636 -1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -15.342 6.605 -2.321 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.655 7.053 -2.048 1.00 0.00 H new ATOM 421 N ARG A 48 -14.963 -0.340 -1.305 1.00 0.00 N ATOM 422 CA ARG A 48 -14.221 -1.533 -0.918 1.00 0.00 C ATOM 423 C ARG A 48 -12.820 -1.527 -1.522 1.00 0.00 C ATOM 424 O ARG A 48 -12.647 -1.256 -2.710 1.00 0.00 O ATOM 425 CB ARG A 48 -14.976 -2.791 -1.357 1.00 0.00 C ATOM 426 CG ARG A 48 -15.681 -3.506 -0.215 1.00 0.00 C ATOM 427 CD ARG A 48 -15.986 -4.953 -0.567 1.00 0.00 C ATOM 428 NE ARG A 48 -15.037 -5.879 0.040 1.00 0.00 N ATOM 429 CZ ARG A 48 -15.018 -7.188 -0.190 1.00 0.00 C ATOM 430 NH1 ARG A 48 -15.893 -7.731 -1.036 1.00 0.00 N ATOM 431 NH2 ARG A 48 -14.122 -7.958 0.397 1.00 0.00 N ATOM 0 H ARG A 48 -15.257 -0.327 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.125 -1.534 0.168 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.712 -2.518 -2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.275 -3.480 -1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.057 -3.472 0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.608 -2.985 0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.995 -5.201 -0.237 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.967 -5.074 -1.650 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.343 -5.498 0.683 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.579 -7.142 -1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -15.877 -8.736 -1.211 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -13.437 -7.550 1.033 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -14.114 -8.962 0.215 1.00 0.00 H new ATOM 445 N LEU A 49 -11.825 -1.831 -0.695 1.00 0.00 N ATOM 446 CA LEU A 49 -10.438 -1.865 -1.152 1.00 0.00 C ATOM 447 C LEU A 49 -9.587 -2.719 -0.210 1.00 0.00 C ATOM 448 O LEU A 49 -9.856 -2.800 0.980 1.00 0.00 O ATOM 449 CB LEU A 49 -9.868 -0.446 -1.228 1.00 0.00 C ATOM 450 CG LEU A 49 -8.399 -0.360 -1.639 1.00 0.00 C ATOM 451 CD1 LEU A 49 -8.189 0.776 -2.636 1.00 0.00 C ATOM 452 CD2 LEU A 49 -7.506 -0.179 -0.428 1.00 0.00 C ATOM 0 H LEU A 49 -11.951 -2.057 0.292 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.414 -2.309 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.462 0.130 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.985 0.029 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.126 -1.299 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.137 0.823 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.795 0.597 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.485 1.720 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.466 -0.121 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.778 0.740 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.631 -1.026 0.246 1.00 0.00 H new ATOM 464 N GLU A 50 -8.560 -3.355 -0.765 1.00 0.00 N ATOM 465 CA GLU A 50 -7.673 -4.204 0.006 1.00 0.00 C ATOM 466 C GLU A 50 -6.211 -3.932 -0.321 1.00 0.00 C ATOM 467 O GLU A 50 -5.858 -3.759 -1.496 1.00 0.00 O ATOM 468 CB GLU A 50 -8.000 -5.680 -0.215 1.00 0.00 C ATOM 469 CG GLU A 50 -8.095 -6.055 -1.685 1.00 0.00 C ATOM 470 CD GLU A 50 -9.281 -6.953 -1.982 1.00 0.00 C ATOM 471 OE1 GLU A 50 -10.371 -6.419 -2.277 1.00 0.00 O ATOM 472 OE2 GLU A 50 -9.120 -8.190 -1.919 1.00 0.00 O ATOM 0 H GLU A 50 -8.324 -3.294 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.832 -3.966 1.058 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.233 -6.291 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -8.945 -5.914 0.276 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.172 -5.147 -2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.177 -6.559 -1.988 1.00 0.00 H new ATOM 479 N TRP A 51 -5.367 -3.895 0.696 1.00 0.00 N ATOM 480 CA TRP A 51 -3.943 -3.643 0.508 1.00 0.00 C ATOM 481 C TRP A 51 -3.146 -4.943 0.584 1.00 0.00 C ATOM 482 O TRP A 51 -3.312 -5.729 1.509 1.00 0.00 O ATOM 483 CB TRP A 51 -3.436 -2.655 1.560 1.00 0.00 C ATOM 484 CG TRP A 51 -2.588 -1.560 0.988 1.00 0.00 C ATOM 485 CD1 TRP A 51 -2.959 -0.642 0.048 1.00 0.00 C ATOM 486 CD2 TRP A 51 -1.226 -1.268 1.311 1.00 0.00 C ATOM 487 NE1 TRP A 51 -1.911 0.203 -0.218 1.00 0.00 N ATOM 488 CE2 TRP A 51 -0.836 -0.161 0.540 1.00 0.00 C ATOM 489 CE3 TRP A 51 -0.297 -1.834 2.196 1.00 0.00 C ATOM 490 CZ2 TRP A 51 0.442 0.389 0.616 1.00 0.00 C ATOM 491 CZ3 TRP A 51 0.971 -1.287 2.262 1.00 0.00 C ATOM 492 CH2 TRP A 51 1.329 -0.185 1.484 1.00 0.00 C ATOM 0 H TRP A 51 -5.643 -4.037 1.668 1.00 0.00 H new ATOM 0 HA TRP A 51 -3.802 -3.210 -0.483 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -4.290 -2.213 2.074 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -2.859 -3.197 2.309 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.932 -0.589 -0.417 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.932 0.980 -0.878 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.566 -2.679 2.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.722 1.239 0.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.700 -1.722 2.930 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.326 0.222 1.569 1.00 0.00 H new ATOM 503 N LYS A 52 -2.283 -5.164 -0.394 1.00 0.00 N ATOM 504 CA LYS A 52 -1.463 -6.370 -0.435 1.00 0.00 C ATOM 505 C LYS A 52 -0.082 -6.075 -1.011 1.00 0.00 C ATOM 506 O LYS A 52 0.054 -5.295 -1.954 1.00 0.00 O ATOM 507 CB LYS A 52 -2.154 -7.452 -1.266 1.00 0.00 C ATOM 508 CG LYS A 52 -3.391 -8.034 -0.601 1.00 0.00 C ATOM 509 CD LYS A 52 -4.001 -9.148 -1.437 1.00 0.00 C ATOM 510 CE LYS A 52 -5.451 -9.399 -1.057 1.00 0.00 C ATOM 511 NZ LYS A 52 -5.583 -9.872 0.333 1.00 0.00 N ATOM 0 H LYS A 52 -2.130 -4.524 -1.173 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.339 -6.728 0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.435 -7.032 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.445 -8.256 -1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.129 -8.419 0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.129 -7.246 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.941 -8.886 -2.493 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.425 -10.063 -1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.023 -8.480 -1.183 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.881 -10.138 -1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.579 -10.096 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.004 -10.725 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.259 -9.129 0.985 1.00 0.00 H new ATOM 525 N LEU A 53 0.939 -6.706 -0.448 1.00 0.00 N ATOM 526 CA LEU A 53 2.311 -6.515 -0.898 1.00 0.00 C ATOM 527 C LEU A 53 3.132 -7.785 -0.691 1.00 0.00 C ATOM 528 O LEU A 53 2.982 -8.475 0.301 1.00 0.00 O ATOM 529 CB LEU A 53 2.957 -5.339 -0.161 1.00 0.00 C ATOM 530 CG LEU A 53 3.310 -5.605 1.296 1.00 0.00 C ATOM 531 CD1 LEU A 53 4.773 -5.997 1.428 1.00 0.00 C ATOM 532 CD2 LEU A 53 3.001 -4.386 2.147 1.00 0.00 C ATOM 0 H LEU A 53 0.841 -7.360 0.328 1.00 0.00 H new ATOM 0 HA LEU A 53 2.290 -6.290 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.865 -5.052 -0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.279 -4.487 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 53 2.702 -6.436 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.007 -6.183 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.961 -6.901 0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.401 -5.189 1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.259 -4.593 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.583 -3.536 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.939 -4.153 2.076 1.00 0.00 H new ATOM 544 N ASN A 54 3.996 -8.092 -1.655 1.00 0.00 N ATOM 545 CA ASN A 54 4.833 -9.285 -1.578 1.00 0.00 C ATOM 546 C ASN A 54 6.265 -8.934 -1.181 1.00 0.00 C ATOM 547 O ASN A 54 6.885 -8.049 -1.780 1.00 0.00 O ATOM 548 CB ASN A 54 4.833 -10.018 -2.919 1.00 0.00 C ATOM 549 CG ASN A 54 3.572 -10.833 -3.133 1.00 0.00 C ATOM 550 OD1 ASN A 54 3.620 -12.058 -3.234 1.00 0.00 O ATOM 551 ND2 ASN A 54 2.433 -10.153 -3.203 1.00 0.00 N ATOM 0 H ASN A 54 4.134 -7.532 -2.497 1.00 0.00 H new ATOM 0 HA ASN A 54 4.415 -9.936 -0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.935 -9.293 -3.726 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.701 -10.676 -2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.552 -10.647 -3.346 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.439 -9.137 -3.114 1.00 0.00 H new ATOM 558 N THR A 55 6.783 -9.641 -0.183 1.00 0.00 N ATOM 559 CA THR A 55 8.144 -9.416 0.284 1.00 0.00 C ATOM 560 C THR A 55 8.723 -10.691 0.883 1.00 0.00 C ATOM 561 O THR A 55 8.054 -11.723 0.934 1.00 0.00 O ATOM 562 CB THR A 55 8.171 -8.288 1.309 1.00 0.00 C ATOM 563 OG1 THR A 55 7.096 -7.391 1.108 1.00 0.00 O ATOM 564 CG2 THR A 55 9.452 -7.483 1.282 1.00 0.00 C ATOM 0 H THR A 55 6.281 -10.374 0.317 1.00 0.00 H new ATOM 0 HA THR A 55 8.758 -9.128 -0.569 1.00 0.00 H new ATOM 0 HB THR A 55 8.091 -8.783 2.277 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.407 -6.472 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.404 -6.697 2.036 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.298 -8.138 1.493 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.578 -7.033 0.297 1.00 0.00 H new ATOM 572 N GLY A 56 9.967 -10.612 1.341 1.00 0.00 N ATOM 573 CA GLY A 56 10.612 -11.767 1.938 1.00 0.00 C ATOM 574 C GLY A 56 9.891 -12.262 3.184 1.00 0.00 C ATOM 575 O GLY A 56 9.278 -13.328 3.161 1.00 0.00 O ATOM 0 H GLY A 56 10.541 -9.769 1.310 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.657 -12.572 1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.640 -11.512 2.195 1.00 0.00 H new ATOM 579 N ARG A 57 9.966 -11.485 4.253 1.00 0.00 N ATOM 580 CA ARG A 57 9.316 -11.852 5.507 1.00 0.00 C ATOM 581 C ARG A 57 7.798 -11.775 5.378 1.00 0.00 C ATOM 582 O ARG A 57 7.072 -12.537 6.015 1.00 0.00 O ATOM 583 CB ARG A 57 9.795 -10.939 6.639 1.00 0.00 C ATOM 584 CG ARG A 57 10.364 -11.694 7.829 1.00 0.00 C ATOM 585 CD ARG A 57 11.485 -10.916 8.498 1.00 0.00 C ATOM 586 NE ARG A 57 12.563 -11.791 8.960 1.00 0.00 N ATOM 587 CZ ARG A 57 13.735 -11.351 9.403 1.00 0.00 C ATOM 588 NH1 ARG A 57 13.985 -10.048 9.462 1.00 0.00 N ATOM 589 NH2 ARG A 57 14.660 -12.215 9.804 1.00 0.00 N ATOM 0 H ARG A 57 10.469 -10.598 4.280 1.00 0.00 H new ATOM 0 HA ARG A 57 9.587 -12.881 5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 57 10.556 -10.262 6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.961 -10.323 6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.571 -11.886 8.552 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.738 -12.664 7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.887 -10.185 7.796 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.084 -10.358 9.344 1.00 0.00 H new ATOM 0 HE ARG A 57 12.405 -12.798 8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 57 13.275 -9.379 9.166 1.00 0.00 H new ATOM 0 HH12 ARG A 57 14.887 -9.717 9.803 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.470 -13.217 9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 57 15.560 -11.877 10.144 1.00 0.00 H new ATOM 603 N THR A 58 7.326 -10.849 4.550 1.00 0.00 N ATOM 604 CA THR A 58 5.893 -10.672 4.338 1.00 0.00 C ATOM 605 C THR A 58 5.203 -10.233 5.627 1.00 0.00 C ATOM 606 O THR A 58 4.460 -11.000 6.248 1.00 0.00 O ATOM 607 CB THR A 58 5.266 -11.969 3.822 1.00 0.00 C ATOM 608 OG1 THR A 58 6.195 -12.699 3.043 1.00 0.00 O ATOM 609 CG2 THR A 58 4.033 -11.741 2.973 1.00 0.00 C ATOM 0 H THR A 58 7.914 -10.210 4.015 1.00 0.00 H new ATOM 0 HA THR A 58 5.755 -9.891 3.590 1.00 0.00 H new ATOM 0 HB THR A 58 4.976 -12.525 4.714 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.659 -12.090 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.638 -12.701 2.640 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.277 -11.222 3.562 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.295 -11.136 2.105 1.00 0.00 H new ATOM 617 N GLU A 59 5.455 -8.992 6.030 1.00 0.00 N ATOM 618 CA GLU A 59 4.862 -8.444 7.245 1.00 0.00 C ATOM 619 C GLU A 59 4.675 -6.936 7.121 1.00 0.00 C ATOM 620 O GLU A 59 5.556 -6.160 7.500 1.00 0.00 O ATOM 621 CB GLU A 59 5.741 -8.766 8.455 1.00 0.00 C ATOM 622 CG GLU A 59 5.124 -8.358 9.783 1.00 0.00 C ATOM 623 CD GLU A 59 6.158 -7.889 10.787 1.00 0.00 C ATOM 624 OE1 GLU A 59 7.015 -7.062 10.413 1.00 0.00 O ATOM 625 OE2 GLU A 59 6.110 -8.349 11.947 1.00 0.00 O ATOM 0 H GLU A 59 6.067 -8.346 5.532 1.00 0.00 H new ATOM 0 HA GLU A 59 3.884 -8.903 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.943 -9.837 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.701 -8.262 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.400 -7.561 9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.576 -9.203 10.200 1.00 0.00 H new ATOM 632 N ALA A 60 3.526 -6.528 6.591 1.00 0.00 N ATOM 633 CA ALA A 60 3.228 -5.111 6.420 1.00 0.00 C ATOM 634 C ALA A 60 1.839 -4.913 5.835 1.00 0.00 C ATOM 635 O ALA A 60 1.094 -4.024 6.256 1.00 0.00 O ATOM 636 CB ALA A 60 4.254 -4.472 5.493 1.00 0.00 C ATOM 0 H ALA A 60 2.788 -7.157 6.274 1.00 0.00 H new ATOM 0 HA ALA A 60 3.268 -4.638 7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.024 -3.414 5.370 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.250 -4.580 5.923 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.223 -4.965 4.521 1.00 0.00 H new ATOM 642 N TRP A 61 1.513 -5.744 4.863 1.00 0.00 N ATOM 643 CA TRP A 61 0.226 -5.678 4.191 1.00 0.00 C ATOM 644 C TRP A 61 -0.929 -5.824 5.177 1.00 0.00 C ATOM 645 O TRP A 61 -0.901 -6.675 6.066 1.00 0.00 O ATOM 646 CB TRP A 61 0.146 -6.762 3.117 1.00 0.00 C ATOM 647 CG TRP A 61 0.071 -8.152 3.680 1.00 0.00 C ATOM 648 CD1 TRP A 61 1.057 -8.824 4.335 1.00 0.00 C ATOM 649 CD2 TRP A 61 -1.050 -9.041 3.620 1.00 0.00 C ATOM 650 NE1 TRP A 61 0.618 -10.077 4.690 1.00 0.00 N ATOM 651 CE2 TRP A 61 -0.672 -10.234 4.258 1.00 0.00 C ATOM 652 CE3 TRP A 61 -2.338 -8.945 3.084 1.00 0.00 C ATOM 653 CZ2 TRP A 61 -1.535 -11.320 4.381 1.00 0.00 C ATOM 654 CZ3 TRP A 61 -3.193 -10.024 3.199 1.00 0.00 C ATOM 655 CH2 TRP A 61 -2.789 -11.197 3.847 1.00 0.00 C ATOM 0 H TRP A 61 2.128 -6.481 4.517 1.00 0.00 H new ATOM 0 HA TRP A 61 0.138 -4.697 3.723 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -0.730 -6.582 2.494 1.00 0.00 H new ATOM 0 HB3 TRP A 61 1.019 -6.687 2.469 1.00 0.00 H new ATOM 0 HD1 TRP A 61 2.040 -8.430 4.545 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.164 -10.776 5.193 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -2.659 -8.041 2.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -1.226 -12.227 4.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.188 -9.962 2.783 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.481 -12.022 3.927 1.00 0.00 H new ATOM 666 N LYS A 62 -1.943 -4.982 5.010 1.00 0.00 N ATOM 667 CA LYS A 62 -3.114 -5.006 5.877 1.00 0.00 C ATOM 668 C LYS A 62 -4.396 -4.993 5.050 1.00 0.00 C ATOM 669 O LYS A 62 -4.456 -4.370 3.989 1.00 0.00 O ATOM 670 CB LYS A 62 -3.086 -3.808 6.840 1.00 0.00 C ATOM 671 CG LYS A 62 -4.368 -3.626 7.631 1.00 0.00 C ATOM 672 CD LYS A 62 -5.212 -2.489 7.079 1.00 0.00 C ATOM 673 CE LYS A 62 -6.096 -1.876 8.153 1.00 0.00 C ATOM 674 NZ LYS A 62 -7.498 -2.377 8.084 1.00 0.00 N ATOM 0 H LYS A 62 -1.977 -4.272 4.279 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.093 -5.926 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.256 -3.933 7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.890 -2.900 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.944 -4.551 7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -4.126 -3.426 8.675 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.561 -1.721 6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.833 -2.859 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.680 -2.101 9.135 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.094 -0.791 8.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.110 -1.641 7.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.534 -3.226 7.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.829 -2.614 9.041 1.00 0.00 H new ATOM 688 N VAL A 63 -5.419 -5.684 5.541 1.00 0.00 N ATOM 689 CA VAL A 63 -6.699 -5.751 4.846 1.00 0.00 C ATOM 690 C VAL A 63 -7.662 -4.689 5.372 1.00 0.00 C ATOM 691 O VAL A 63 -7.954 -4.628 6.559 1.00 0.00 O ATOM 692 CB VAL A 63 -7.349 -7.138 5.001 1.00 0.00 C ATOM 693 CG1 VAL A 63 -8.575 -7.257 4.107 1.00 0.00 C ATOM 694 CG2 VAL A 63 -6.344 -8.236 4.687 1.00 0.00 C ATOM 0 H VAL A 63 -5.387 -6.205 6.417 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.499 -5.568 3.790 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.670 -7.255 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.021 -8.244 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.302 -6.493 4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.281 -7.119 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.821 -9.209 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.991 -8.124 3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.499 -8.163 5.372 1.00 0.00 H new ATOM 704 N LEU A 64 -8.156 -3.853 4.455 1.00 0.00 N ATOM 705 CA LEU A 64 -9.088 -2.793 4.818 1.00 0.00 C ATOM 706 C LEU A 64 -10.531 -3.275 4.709 1.00 0.00 C ATOM 707 O LEU A 64 -10.942 -3.803 3.675 1.00 0.00 O ATOM 708 CB LEU A 64 -8.878 -1.572 3.921 1.00 0.00 C ATOM 709 CG LEU A 64 -7.483 -0.948 3.991 1.00 0.00 C ATOM 710 CD1 LEU A 64 -6.504 -1.731 3.129 1.00 0.00 C ATOM 711 CD2 LEU A 64 -7.530 0.510 3.558 1.00 0.00 C ATOM 0 H LEU A 64 -7.925 -3.892 3.462 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.895 -2.513 5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.079 -1.860 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.613 -0.813 4.189 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.138 -0.989 5.024 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.517 -1.272 3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.449 -2.760 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.843 -1.722 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.529 0.939 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.895 0.574 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.199 1.064 4.217 1.00 0.00 H new ATOM 723 N SER A 65 -11.294 -3.092 5.781 1.00 0.00 N ATOM 724 CA SER A 65 -12.691 -3.508 5.805 1.00 0.00 C ATOM 725 C SER A 65 -13.619 -2.320 5.557 1.00 0.00 C ATOM 726 O SER A 65 -13.206 -1.166 5.670 1.00 0.00 O ATOM 727 CB SER A 65 -13.028 -4.162 7.146 1.00 0.00 C ATOM 728 OG SER A 65 -12.866 -5.569 7.082 1.00 0.00 O ATOM 0 H SER A 65 -10.968 -2.658 6.645 1.00 0.00 H new ATOM 0 HA SER A 65 -12.840 -4.235 5.007 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.384 -3.754 7.925 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.055 -3.923 7.423 1.00 0.00 H new ATOM 0 HG SER A 65 -13.086 -5.963 7.952 1.00 0.00 H new ATOM 734 N PRO A 66 -14.891 -2.588 5.215 1.00 0.00 N ATOM 735 CA PRO A 66 -15.877 -1.535 4.951 1.00 0.00 C ATOM 736 C PRO A 66 -16.249 -0.754 6.209 1.00 0.00 C ATOM 737 O PRO A 66 -16.895 0.292 6.131 1.00 0.00 O ATOM 738 CB PRO A 66 -17.090 -2.304 4.422 1.00 0.00 C ATOM 739 CG PRO A 66 -16.945 -3.676 4.983 1.00 0.00 C ATOM 740 CD PRO A 66 -15.467 -3.937 5.059 1.00 0.00 C ATOM 0 HA PRO A 66 -15.493 -0.787 4.257 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -18.023 -1.841 4.744 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -17.103 -2.322 3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.405 -3.745 5.969 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.439 -4.412 4.348 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.215 -4.582 5.901 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.099 -4.430 4.159 1.00 0.00 H new ATOM 748 N GLN A 67 -15.839 -1.265 7.366 1.00 0.00 N ATOM 749 CA GLN A 67 -16.133 -0.612 8.637 1.00 0.00 C ATOM 750 C GLN A 67 -14.852 -0.348 9.423 1.00 0.00 C ATOM 751 O GLN A 67 -14.865 -0.307 10.654 1.00 0.00 O ATOM 752 CB GLN A 67 -17.089 -1.472 9.466 1.00 0.00 C ATOM 753 CG GLN A 67 -18.324 -0.724 9.941 1.00 0.00 C ATOM 754 CD GLN A 67 -19.576 -1.125 9.192 1.00 0.00 C ATOM 755 OE1 GLN A 67 -20.281 -0.279 8.634 1.00 0.00 O ATOM 756 NE2 GLN A 67 -19.859 -2.422 9.160 1.00 0.00 N ATOM 0 H GLN A 67 -15.303 -2.129 7.450 1.00 0.00 H new ATOM 0 HA GLN A 67 -16.609 0.345 8.425 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -17.401 -2.330 8.871 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -16.555 -1.862 10.333 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -18.468 -0.909 11.006 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -18.162 0.347 9.822 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -19.250 -3.089 9.634 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -20.685 -2.752 8.661 1.00 0.00 H new ATOM 765 N GLY A 68 -13.747 -0.169 8.706 1.00 0.00 N ATOM 766 CA GLY A 68 -12.474 0.089 9.355 1.00 0.00 C ATOM 767 C GLY A 68 -12.077 -1.017 10.314 1.00 0.00 C ATOM 768 O GLY A 68 -12.904 -1.847 10.691 1.00 0.00 O ATOM 0 H GLY A 68 -13.710 -0.198 7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.700 0.203 8.596 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.531 1.033 9.897 1.00 0.00 H new ATOM 772 N GLY A 69 -10.807 -1.030 10.707 1.00 0.00 N ATOM 773 CA GLY A 69 -10.325 -2.047 11.632 1.00 0.00 C ATOM 774 C GLY A 69 -9.081 -2.747 11.113 1.00 0.00 C ATOM 775 O GLY A 69 -9.050 -3.221 9.978 1.00 0.00 O ATOM 0 H GLY A 69 -10.103 -0.357 10.404 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.106 -1.586 12.595 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.111 -2.783 11.802 1.00 0.00 H new ATOM 779 N GLY A 70 -8.054 -2.811 11.953 1.00 0.00 N ATOM 780 CA GLY A 70 -6.816 -3.460 11.563 1.00 0.00 C ATOM 781 C GLY A 70 -5.653 -3.077 12.468 1.00 0.00 C ATOM 782 O GLY A 70 -5.614 -1.964 12.992 1.00 0.00 O ATOM 0 H GLY A 70 -8.057 -2.425 12.897 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.952 -4.541 11.587 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.576 -3.192 10.534 1.00 0.00 H new ATOM 786 N PRO A 71 -4.681 -3.986 12.657 1.00 0.00 N ATOM 787 CA PRO A 71 -3.515 -3.721 13.505 1.00 0.00 C ATOM 788 C PRO A 71 -2.528 -2.760 12.849 1.00 0.00 C ATOM 789 O PRO A 71 -1.930 -1.918 13.518 1.00 0.00 O ATOM 790 CB PRO A 71 -2.883 -5.102 13.675 1.00 0.00 C ATOM 791 CG PRO A 71 -3.282 -5.853 12.451 1.00 0.00 C ATOM 792 CD PRO A 71 -4.645 -5.340 12.073 1.00 0.00 C ATOM 0 HA PRO A 71 -3.793 -3.245 14.445 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.799 -5.033 13.762 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.245 -5.595 14.578 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.567 -5.691 11.644 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.309 -6.926 12.643 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.778 -5.314 10.991 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.437 -5.971 12.476 1.00 0.00 H new ATOM 800 N TRP A 72 -2.363 -2.891 11.544 1.00 0.00 N ATOM 801 CA TRP A 72 -1.449 -2.033 10.791 1.00 0.00 C ATOM 802 C TRP A 72 -1.920 -0.581 10.816 1.00 0.00 C ATOM 803 O TRP A 72 -1.127 0.339 10.610 1.00 0.00 O ATOM 804 CB TRP A 72 -1.319 -2.521 9.356 1.00 0.00 C ATOM 805 CG TRP A 72 -0.294 -1.767 8.564 1.00 0.00 C ATOM 806 CD1 TRP A 72 1.062 -1.822 8.706 1.00 0.00 C ATOM 807 CD2 TRP A 72 -0.543 -0.842 7.491 1.00 0.00 C ATOM 808 NE1 TRP A 72 1.672 -0.988 7.799 1.00 0.00 N ATOM 809 CE2 TRP A 72 0.707 -0.375 7.043 1.00 0.00 C ATOM 810 CE3 TRP A 72 -1.702 -0.364 6.880 1.00 0.00 C ATOM 811 CZ2 TRP A 72 0.830 0.546 6.012 1.00 0.00 C ATOM 812 CZ3 TRP A 72 -1.579 0.551 5.843 1.00 0.00 C ATOM 813 CH2 TRP A 72 -0.320 0.997 5.418 1.00 0.00 C ATOM 0 H TRP A 72 -2.850 -3.585 10.977 1.00 0.00 H new ATOM 0 HA TRP A 72 -0.470 -2.083 11.267 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -1.057 -3.579 9.362 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.286 -2.434 8.861 1.00 0.00 H new ATOM 0 HD1 TRP A 72 1.582 -2.434 9.428 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.678 -0.848 7.704 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.675 -0.699 7.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 1.799 0.896 5.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.468 0.925 5.356 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.255 1.709 4.608 1.00 0.00 H new ATOM 824 N ASP A 73 -3.215 -0.381 11.043 1.00 0.00 N ATOM 825 CA ASP A 73 -3.786 0.961 11.092 1.00 0.00 C ATOM 826 C ASP A 73 -3.017 1.852 12.064 1.00 0.00 C ATOM 827 O ASP A 73 -2.836 3.045 11.811 1.00 0.00 O ATOM 828 CB ASP A 73 -5.259 0.899 11.496 1.00 0.00 C ATOM 829 CG ASP A 73 -6.017 2.156 11.106 1.00 0.00 C ATOM 830 OD1 ASP A 73 -6.333 2.318 9.909 1.00 0.00 O ATOM 831 OD2 ASP A 73 -6.294 2.978 12.005 1.00 0.00 O ATOM 0 H ASP A 73 -3.889 -1.131 11.196 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.707 1.394 10.095 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.727 0.034 11.025 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.332 0.753 12.574 1.00 0.00 H new ATOM 836 N SER A 74 -2.562 1.262 13.157 1.00 0.00 N ATOM 837 CA SER A 74 -1.808 2.002 14.162 1.00 0.00 C ATOM 838 C SER A 74 -0.509 2.547 13.577 1.00 0.00 C ATOM 839 O SER A 74 0.055 3.515 14.085 1.00 0.00 O ATOM 840 CB SER A 74 -1.504 1.106 15.365 1.00 0.00 C ATOM 841 OG SER A 74 -1.412 1.867 16.564 1.00 0.00 O ATOM 0 H SER A 74 -2.700 0.275 13.373 1.00 0.00 H new ATOM 0 HA SER A 74 -2.418 2.844 14.490 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.286 0.354 15.468 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.568 0.573 15.197 1.00 0.00 H new ATOM 0 HG SER A 74 -1.219 1.270 17.317 1.00 0.00 H new ATOM 847 N VAL A 75 -0.042 1.919 12.503 1.00 0.00 N ATOM 848 CA VAL A 75 1.187 2.340 11.843 1.00 0.00 C ATOM 849 C VAL A 75 0.910 3.448 10.840 1.00 0.00 C ATOM 850 O VAL A 75 1.324 4.592 11.021 1.00 0.00 O ATOM 851 CB VAL A 75 1.870 1.160 11.132 1.00 0.00 C ATOM 852 CG1 VAL A 75 3.214 1.585 10.550 1.00 0.00 C ATOM 853 CG2 VAL A 75 2.038 -0.019 12.071 1.00 0.00 C ATOM 0 H VAL A 75 -0.498 1.115 12.071 1.00 0.00 H new ATOM 0 HA VAL A 75 1.858 2.718 12.615 1.00 0.00 H new ATOM 0 HB VAL A 75 1.227 0.845 10.310 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.680 0.735 10.052 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.061 2.389 9.830 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.863 1.936 11.352 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.524 -0.839 11.542 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.652 0.278 12.922 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.060 -0.344 12.425 1.00 0.00 H new ATOM 863 N ALA A 76 0.202 3.101 9.762 1.00 0.00 N ATOM 864 CA ALA A 76 -0.136 4.065 8.722 1.00 0.00 C ATOM 865 C ALA A 76 -1.644 4.127 8.510 1.00 0.00 C ATOM 866 O ALA A 76 -2.367 3.192 8.854 1.00 0.00 O ATOM 867 CB ALA A 76 0.567 3.706 7.423 1.00 0.00 C ATOM 0 H ALA A 76 -0.147 2.158 9.590 1.00 0.00 H new ATOM 0 HA ALA A 76 0.203 5.050 9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.306 4.434 6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.646 3.714 7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.254 2.712 7.103 1.00 0.00 H new ATOM 873 N ARG A 77 -2.115 5.235 7.956 1.00 0.00 N ATOM 874 CA ARG A 77 -3.541 5.413 7.698 1.00 0.00 C ATOM 875 C ARG A 77 -3.793 5.920 6.282 1.00 0.00 C ATOM 876 O ARG A 77 -2.907 6.499 5.651 1.00 0.00 O ATOM 877 CB ARG A 77 -4.140 6.387 8.714 1.00 0.00 C ATOM 878 CG ARG A 77 -3.824 6.034 10.159 1.00 0.00 C ATOM 879 CD ARG A 77 -4.953 5.251 10.809 1.00 0.00 C ATOM 880 NE ARG A 77 -5.505 5.946 11.970 1.00 0.00 N ATOM 881 CZ ARG A 77 -6.442 6.891 11.899 1.00 0.00 C ATOM 882 NH1 ARG A 77 -6.940 7.256 10.732 1.00 0.00 N ATOM 883 NH2 ARG A 77 -6.883 7.470 13.007 1.00 0.00 N ATOM 0 H ARG A 77 -1.533 6.025 7.676 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.023 4.440 7.799 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.769 7.390 8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.222 6.414 8.584 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.906 5.448 10.197 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.643 6.948 10.725 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.744 5.082 10.078 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.586 4.271 11.114 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.151 5.692 12.892 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.608 6.814 9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.657 7.980 10.687 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.505 7.192 13.913 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.600 8.193 12.954 1.00 0.00 H new ATOM 897 N VAL A 78 -5.008 5.700 5.789 1.00 0.00 N ATOM 898 CA VAL A 78 -5.381 6.135 4.449 1.00 0.00 C ATOM 899 C VAL A 78 -5.941 7.553 4.480 1.00 0.00 C ATOM 900 O VAL A 78 -6.826 7.868 5.276 1.00 0.00 O ATOM 901 CB VAL A 78 -6.426 5.189 3.823 1.00 0.00 C ATOM 902 CG1 VAL A 78 -6.704 5.575 2.379 1.00 0.00 C ATOM 903 CG2 VAL A 78 -5.962 3.743 3.917 1.00 0.00 C ATOM 0 H VAL A 78 -5.751 5.222 6.299 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.478 6.114 3.838 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.356 5.286 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.444 4.895 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.086 6.595 2.342 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.782 5.512 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.712 3.090 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.018 3.628 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.823 3.473 4.964 1.00 0.00 H new ATOM 913 N LEU A 79 -5.421 8.406 3.595 1.00 0.00 N ATOM 914 CA LEU A 79 -5.872 9.791 3.518 1.00 0.00 C ATOM 915 C LEU A 79 -7.270 9.875 2.914 1.00 0.00 C ATOM 916 O LEU A 79 -7.662 9.021 2.124 1.00 0.00 O ATOM 917 CB LEU A 79 -4.899 10.628 2.686 1.00 0.00 C ATOM 918 CG LEU A 79 -3.540 10.887 3.341 1.00 0.00 C ATOM 919 CD1 LEU A 79 -3.708 11.709 4.609 1.00 0.00 C ATOM 920 CD2 LEU A 79 -2.836 9.574 3.643 1.00 0.00 C ATOM 0 H LEU A 79 -4.691 8.161 2.926 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.905 10.188 4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.735 10.126 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.367 11.587 2.465 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.923 11.454 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.732 11.884 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.171 12.665 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.342 11.168 5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.871 9.777 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.449 8.980 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.682 9.022 2.716 1.00 0.00 H new ATOM 932 N PRO A 80 -8.042 10.913 3.283 1.00 0.00 N ATOM 933 CA PRO A 80 -9.402 11.112 2.774 1.00 0.00 C ATOM 934 C PRO A 80 -9.455 11.107 1.249 1.00 0.00 C ATOM 935 O PRO A 80 -10.495 10.821 0.657 1.00 0.00 O ATOM 936 CB PRO A 80 -9.807 12.489 3.322 1.00 0.00 C ATOM 937 CG PRO A 80 -8.542 13.113 3.820 1.00 0.00 C ATOM 938 CD PRO A 80 -7.651 11.977 4.218 1.00 0.00 C ATOM 0 HA PRO A 80 -10.069 10.309 3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -10.266 13.100 2.545 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.538 12.392 4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -8.076 13.722 3.045 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.738 13.770 4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.597 12.236 4.118 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.810 11.682 5.255 1.00 0.00 H new ATOM 946 N ASN A 81 -8.329 11.425 0.618 1.00 0.00 N ATOM 947 CA ASN A 81 -8.253 11.453 -0.822 1.00 0.00 C ATOM 948 C ASN A 81 -7.901 10.076 -1.387 1.00 0.00 C ATOM 949 O ASN A 81 -7.648 9.934 -2.583 1.00 0.00 O ATOM 950 CB ASN A 81 -7.222 12.486 -1.282 1.00 0.00 C ATOM 951 CG ASN A 81 -5.815 12.141 -0.835 1.00 0.00 C ATOM 952 OD1 ASN A 81 -5.055 11.512 -1.571 1.00 0.00 O ATOM 953 ND2 ASN A 81 -5.461 12.552 0.362 1.00 0.00 N ATOM 0 H ASN A 81 -7.458 11.666 1.092 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.235 11.735 -1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.247 12.560 -2.369 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.494 13.466 -0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.525 12.352 0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -6.123 13.071 0.939 1.00 0.00 H new ATOM 960 N GLY A 82 -7.888 9.062 -0.523 1.00 0.00 N ATOM 961 CA GLY A 82 -7.568 7.717 -0.963 1.00 0.00 C ATOM 962 C GLY A 82 -6.075 7.489 -1.091 1.00 0.00 C ATOM 963 O GLY A 82 -5.619 6.842 -2.034 1.00 0.00 O ATOM 0 H GLY A 82 -8.093 9.150 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.983 6.998 -0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.045 7.530 -1.925 1.00 0.00 H new ATOM 967 N SER A 83 -5.310 8.019 -0.142 1.00 0.00 N ATOM 968 CA SER A 83 -3.860 7.867 -0.157 1.00 0.00 C ATOM 969 C SER A 83 -3.391 7.002 1.000 1.00 0.00 C ATOM 970 O SER A 83 -4.190 6.318 1.631 1.00 0.00 O ATOM 971 CB SER A 83 -3.186 9.238 -0.098 1.00 0.00 C ATOM 972 OG SER A 83 -1.872 9.184 -0.629 1.00 0.00 O ATOM 0 H SER A 83 -5.670 8.557 0.646 1.00 0.00 H new ATOM 0 HA SER A 83 -3.579 7.372 -1.087 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.778 9.962 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.150 9.585 0.935 1.00 0.00 H new ATOM 0 HG SER A 83 -1.682 8.274 -0.939 1.00 0.00 H new ATOM 978 N LEU A 84 -2.091 7.035 1.263 1.00 0.00 N ATOM 979 CA LEU A 84 -1.515 6.253 2.350 1.00 0.00 C ATOM 980 C LEU A 84 -0.226 6.894 2.853 1.00 0.00 C ATOM 981 O LEU A 84 0.740 7.034 2.106 1.00 0.00 O ATOM 982 CB LEU A 84 -1.239 4.822 1.892 1.00 0.00 C ATOM 983 CG LEU A 84 -0.976 3.816 3.007 1.00 0.00 C ATOM 984 CD1 LEU A 84 -1.689 2.503 2.723 1.00 0.00 C ATOM 985 CD2 LEU A 84 0.518 3.588 3.179 1.00 0.00 C ATOM 0 H LEU A 84 -1.416 7.593 0.740 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.236 6.230 3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.091 4.475 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.377 4.832 1.225 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.370 4.225 3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.489 1.798 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.762 2.680 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.327 2.089 1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.686 2.867 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.937 3.203 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.003 4.531 3.432 1.00 0.00 H new ATOM 997 N PHE A 85 -0.221 7.284 4.123 1.00 0.00 N ATOM 998 CA PHE A 85 0.948 7.914 4.725 1.00 0.00 C ATOM 999 C PHE A 85 1.494 7.067 5.871 1.00 0.00 C ATOM 1000 O PHE A 85 0.739 6.597 6.723 1.00 0.00 O ATOM 1001 CB PHE A 85 0.589 9.315 5.231 1.00 0.00 C ATOM 1002 CG PHE A 85 1.701 9.993 5.988 1.00 0.00 C ATOM 1003 CD1 PHE A 85 2.961 10.118 5.424 1.00 0.00 C ATOM 1004 CD2 PHE A 85 1.486 10.507 7.256 1.00 0.00 C ATOM 1005 CE1 PHE A 85 3.985 10.741 6.103 1.00 0.00 C ATOM 1006 CE2 PHE A 85 2.506 11.130 7.941 1.00 0.00 C ATOM 1007 CZ PHE A 85 3.757 11.248 7.376 1.00 0.00 C ATOM 0 H PHE A 85 -1.014 7.175 4.756 1.00 0.00 H new ATOM 0 HA PHE A 85 1.722 7.997 3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.309 9.937 4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.287 9.244 5.876 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.143 9.721 4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.511 10.419 7.711 1.00 0.00 H new ATOM 0 HE1 PHE A 85 4.960 10.835 5.648 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.324 11.529 8.928 1.00 0.00 H new ATOM 0 HZ PHE A 85 4.555 11.732 7.919 1.00 0.00 H new ATOM 1017 N LEU A 86 2.811 6.879 5.885 1.00 0.00 N ATOM 1018 CA LEU A 86 3.460 6.094 6.926 1.00 0.00 C ATOM 1019 C LEU A 86 4.382 6.973 7.770 1.00 0.00 C ATOM 1020 O LEU A 86 5.255 7.658 7.244 1.00 0.00 O ATOM 1021 CB LEU A 86 4.258 4.945 6.307 1.00 0.00 C ATOM 1022 CG LEU A 86 3.426 3.924 5.526 1.00 0.00 C ATOM 1023 CD1 LEU A 86 3.601 4.123 4.036 1.00 0.00 C ATOM 1024 CD2 LEU A 86 3.806 2.505 5.926 1.00 0.00 C ATOM 0 H LEU A 86 3.448 7.261 5.186 1.00 0.00 H new ATOM 0 HA LEU A 86 2.686 5.680 7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.011 5.364 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.792 4.424 7.102 1.00 0.00 H new ATOM 0 HG LEU A 86 2.375 4.079 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.002 3.388 3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.276 5.127 3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.651 3.998 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.204 1.794 5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.862 2.337 5.713 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.625 2.367 6.992 1.00 0.00 H new ATOM 1036 N PRO A 87 4.203 6.969 9.112 1.00 0.00 N ATOM 1037 CA PRO A 87 5.026 7.774 10.013 1.00 0.00 C ATOM 1038 C PRO A 87 6.518 7.535 9.807 1.00 0.00 C ATOM 1039 O PRO A 87 7.260 8.450 9.460 1.00 0.00 O ATOM 1040 CB PRO A 87 4.596 7.302 11.403 1.00 0.00 C ATOM 1041 CG PRO A 87 3.217 6.774 11.214 1.00 0.00 C ATOM 1042 CD PRO A 87 3.187 6.184 9.831 1.00 0.00 C ATOM 0 HA PRO A 87 4.885 8.842 9.848 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.266 6.531 11.784 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.611 8.121 12.122 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.981 6.020 11.965 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.477 7.568 11.316 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.431 5.122 9.840 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.203 6.281 9.372 1.00 0.00 H new ATOM 1050 N ALA A 88 6.952 6.299 10.044 1.00 0.00 N ATOM 1051 CA ALA A 88 8.356 5.942 9.877 1.00 0.00 C ATOM 1052 C ALA A 88 8.523 4.777 8.916 1.00 0.00 C ATOM 1053 O ALA A 88 8.273 3.623 9.258 1.00 0.00 O ATOM 1054 CB ALA A 88 8.967 5.597 11.227 1.00 0.00 C ATOM 0 H ALA A 88 6.354 5.532 10.351 1.00 0.00 H new ATOM 0 HA ALA A 88 8.874 6.802 9.453 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.016 5.331 11.094 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.892 6.458 11.891 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.432 4.754 11.664 1.00 0.00 H new ATOM 1060 N VAL A 89 8.949 5.087 7.696 1.00 0.00 N ATOM 1061 CA VAL A 89 9.151 4.066 6.667 1.00 0.00 C ATOM 1062 C VAL A 89 10.574 3.518 6.728 1.00 0.00 C ATOM 1063 O VAL A 89 11.535 4.232 6.434 1.00 0.00 O ATOM 1064 CB VAL A 89 8.877 4.622 5.264 1.00 0.00 C ATOM 1065 CG1 VAL A 89 8.933 3.509 4.221 1.00 0.00 C ATOM 1066 CG2 VAL A 89 7.531 5.333 5.215 1.00 0.00 C ATOM 0 H VAL A 89 9.162 6.037 7.393 1.00 0.00 H new ATOM 0 HA VAL A 89 8.444 3.261 6.864 1.00 0.00 H new ATOM 0 HB VAL A 89 9.655 5.349 5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.736 3.926 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.922 3.051 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.181 2.755 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.360 5.718 4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.739 4.631 5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.530 6.159 5.926 1.00 0.00 H new ATOM 1076 N GLY A 90 10.700 2.247 7.090 1.00 0.00 N ATOM 1077 CA GLY A 90 12.010 1.628 7.178 1.00 0.00 C ATOM 1078 C GLY A 90 12.069 0.285 6.477 1.00 0.00 C ATOM 1079 O GLY A 90 11.349 0.050 5.507 1.00 0.00 O ATOM 0 H GLY A 90 9.919 1.634 7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.753 2.295 6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 90 12.277 1.498 8.227 1.00 0.00 H new ATOM 1083 N ILE A 91 12.933 -0.597 6.971 1.00 0.00 N ATOM 1084 CA ILE A 91 13.090 -1.926 6.389 1.00 0.00 C ATOM 1085 C ILE A 91 11.760 -2.672 6.338 1.00 0.00 C ATOM 1086 O ILE A 91 11.514 -3.459 5.425 1.00 0.00 O ATOM 1087 CB ILE A 91 14.108 -2.770 7.188 1.00 0.00 C ATOM 1088 CG1 ILE A 91 13.759 -2.769 8.670 1.00 0.00 C ATOM 1089 CG2 ILE A 91 15.518 -2.243 6.958 1.00 0.00 C ATOM 1090 CD1 ILE A 91 13.080 -4.040 9.134 1.00 0.00 C ATOM 0 H ILE A 91 13.536 -0.415 7.774 1.00 0.00 H new ATOM 0 HA ILE A 91 13.459 -1.783 5.373 1.00 0.00 H new ATOM 0 HB ILE A 91 14.064 -3.801 6.836 1.00 0.00 H new ATOM 0 HG12 ILE A 91 14.671 -2.622 9.249 1.00 0.00 H new ATOM 0 HG13 ILE A 91 13.107 -1.921 8.881 1.00 0.00 H new ATOM 0 HG21 ILE A 91 16.228 -2.844 7.525 1.00 0.00 H new ATOM 0 HG22 ILE A 91 15.760 -2.301 5.897 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.577 -1.206 7.287 1.00 0.00 H new ATOM 0 HD11 ILE A 91 12.861 -3.968 10.199 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.151 -4.179 8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.738 -4.890 8.956 1.00 0.00 H new ATOM 1102 N GLN A 92 10.907 -2.418 7.325 1.00 0.00 N ATOM 1103 CA GLN A 92 9.602 -3.067 7.400 1.00 0.00 C ATOM 1104 C GLN A 92 8.699 -2.618 6.252 1.00 0.00 C ATOM 1105 O GLN A 92 7.675 -3.245 5.970 1.00 0.00 O ATOM 1106 CB GLN A 92 8.930 -2.762 8.733 1.00 0.00 C ATOM 1107 CG GLN A 92 9.688 -3.309 9.931 1.00 0.00 C ATOM 1108 CD GLN A 92 10.162 -2.218 10.871 1.00 0.00 C ATOM 1109 OE1 GLN A 92 11.353 -2.108 11.163 1.00 0.00 O ATOM 1110 NE2 GLN A 92 9.229 -1.404 11.351 1.00 0.00 N ATOM 0 H GLN A 92 11.096 -1.766 8.086 1.00 0.00 H new ATOM 0 HA GLN A 92 9.760 -4.142 7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.826 -1.682 8.840 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.923 -3.180 8.728 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.046 -4.000 10.477 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.548 -3.881 9.582 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.253 -1.532 11.082 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.488 -0.651 11.988 1.00 0.00 H new ATOM 1119 N ASP A 93 9.077 -1.529 5.588 1.00 0.00 N ATOM 1120 CA ASP A 93 8.293 -1.003 4.476 1.00 0.00 C ATOM 1121 C ASP A 93 8.850 -1.467 3.132 1.00 0.00 C ATOM 1122 O ASP A 93 8.142 -1.464 2.117 1.00 0.00 O ATOM 1123 CB ASP A 93 8.264 0.526 4.519 1.00 0.00 C ATOM 1124 CG ASP A 93 7.153 1.053 5.406 1.00 0.00 C ATOM 1125 OD1 ASP A 93 7.390 1.214 6.622 1.00 0.00 O ATOM 1126 OD2 ASP A 93 6.048 1.306 4.892 1.00 0.00 O ATOM 0 H ASP A 93 9.920 -0.995 5.801 1.00 0.00 H new ATOM 0 HA ASP A 93 7.278 -1.388 4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.223 0.896 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.135 0.914 3.509 1.00 0.00 H new ATOM 1131 N GLU A 94 10.121 -1.862 3.110 1.00 0.00 N ATOM 1132 CA GLU A 94 10.767 -2.323 1.892 1.00 0.00 C ATOM 1133 C GLU A 94 9.921 -3.382 1.178 1.00 0.00 C ATOM 1134 O GLU A 94 8.898 -3.823 1.701 1.00 0.00 O ATOM 1135 CB GLU A 94 12.153 -2.889 2.194 1.00 0.00 C ATOM 1136 CG GLU A 94 13.110 -1.864 2.779 1.00 0.00 C ATOM 1137 CD GLU A 94 14.434 -2.476 3.194 1.00 0.00 C ATOM 1138 OE1 GLU A 94 14.432 -3.353 4.082 1.00 0.00 O ATOM 1139 OE2 GLU A 94 15.475 -2.077 2.636 1.00 0.00 O ATOM 0 H GLU A 94 10.725 -1.870 3.932 1.00 0.00 H new ATOM 0 HA GLU A 94 10.870 -1.461 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.053 -3.721 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.581 -3.292 1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.291 -1.079 2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.646 -1.390 3.644 1.00 0.00 H new ATOM 1146 N GLY A 95 10.358 -3.782 -0.003 1.00 0.00 N ATOM 1147 CA GLY A 95 9.632 -4.783 -0.754 1.00 0.00 C ATOM 1148 C GLY A 95 8.786 -4.174 -1.855 1.00 0.00 C ATOM 1149 O GLY A 95 8.893 -2.982 -2.141 1.00 0.00 O ATOM 0 H GLY A 95 11.202 -3.432 -0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.338 -5.490 -1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.992 -5.348 -0.077 1.00 0.00 H new ATOM 1153 N ILE A 96 7.943 -4.995 -2.475 1.00 0.00 N ATOM 1154 CA ILE A 96 7.076 -4.531 -3.550 1.00 0.00 C ATOM 1155 C ILE A 96 5.635 -4.386 -3.076 1.00 0.00 C ATOM 1156 O ILE A 96 5.058 -5.325 -2.522 1.00 0.00 O ATOM 1157 CB ILE A 96 7.109 -5.493 -4.754 1.00 0.00 C ATOM 1158 CG1 ILE A 96 8.553 -5.823 -5.134 1.00 0.00 C ATOM 1159 CG2 ILE A 96 6.369 -4.885 -5.937 1.00 0.00 C ATOM 1160 CD1 ILE A 96 9.066 -7.102 -4.516 1.00 0.00 C ATOM 0 H ILE A 96 7.843 -5.985 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 96 7.455 -3.556 -3.858 1.00 0.00 H new ATOM 0 HB ILE A 96 6.608 -6.420 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.625 -5.899 -6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.197 -4.998 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.401 -5.575 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 96 5.332 -4.698 -5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 96 6.844 -3.946 -6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.096 -7.270 -4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.027 -7.022 -3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 96 8.446 -7.937 -4.841 1.00 0.00 H new ATOM 1172 N PHE A 97 5.063 -3.205 -3.274 1.00 0.00 N ATOM 1173 CA PHE A 97 3.689 -2.937 -2.859 1.00 0.00 C ATOM 1174 C PHE A 97 2.728 -3.071 -4.034 1.00 0.00 C ATOM 1175 O PHE A 97 3.064 -2.721 -5.165 1.00 0.00 O ATOM 1176 CB PHE A 97 3.579 -1.535 -2.257 1.00 0.00 C ATOM 1177 CG PHE A 97 4.244 -1.400 -0.924 1.00 0.00 C ATOM 1178 CD1 PHE A 97 3.592 -1.802 0.223 1.00 0.00 C ATOM 1179 CD2 PHE A 97 5.520 -0.869 -0.820 1.00 0.00 C ATOM 1180 CE1 PHE A 97 4.200 -1.677 1.457 1.00 0.00 C ATOM 1181 CE2 PHE A 97 6.132 -0.742 0.412 1.00 0.00 C ATOM 1182 CZ PHE A 97 5.473 -1.147 1.556 1.00 0.00 C ATOM 0 H PHE A 97 5.529 -2.415 -3.720 1.00 0.00 H new ATOM 0 HA PHE A 97 3.417 -3.674 -2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 97 4.020 -0.817 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.526 -1.274 -2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.598 -2.218 0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 97 6.041 -0.551 -1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.679 -1.995 2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 97 7.126 -0.326 0.480 1.00 0.00 H new ATOM 0 HZ PHE A 97 5.949 -1.050 2.521 1.00 0.00 H new ATOM 1192 N ARG A 98 1.529 -3.578 -3.759 1.00 0.00 N ATOM 1193 CA ARG A 98 0.519 -3.757 -4.795 1.00 0.00 C ATOM 1194 C ARG A 98 -0.849 -3.288 -4.310 1.00 0.00 C ATOM 1195 O ARG A 98 -1.182 -3.421 -3.140 1.00 0.00 O ATOM 1196 CB ARG A 98 0.447 -5.226 -5.217 1.00 0.00 C ATOM 1197 CG ARG A 98 -0.572 -5.497 -6.320 1.00 0.00 C ATOM 1198 CD ARG A 98 -1.850 -6.099 -5.749 1.00 0.00 C ATOM 1199 NE ARG A 98 -2.730 -6.599 -6.802 1.00 0.00 N ATOM 1200 CZ ARG A 98 -2.551 -7.759 -7.431 1.00 0.00 C ATOM 1201 NH1 ARG A 98 -1.525 -8.540 -7.124 1.00 0.00 N ATOM 1202 NH2 ARG A 98 -3.399 -8.138 -8.377 1.00 0.00 N ATOM 0 H ARG A 98 1.234 -3.872 -2.828 1.00 0.00 H new ATOM 0 HA ARG A 98 0.806 -3.152 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.432 -5.546 -5.557 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.198 -5.833 -4.347 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.805 -4.568 -6.841 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -0.143 -6.177 -7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.597 -6.913 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.376 -5.346 -5.162 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.529 -6.026 -7.072 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.865 -8.254 -6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.396 -9.427 -7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.189 -7.541 -8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.262 -9.027 -8.859 1.00 0.00 H new ATOM 1216 N CYS A 99 -1.640 -2.741 -5.229 1.00 0.00 N ATOM 1217 CA CYS A 99 -2.974 -2.253 -4.898 1.00 0.00 C ATOM 1218 C CYS A 99 -4.042 -3.234 -5.373 1.00 0.00 C ATOM 1219 O CYS A 99 -3.825 -3.991 -6.319 1.00 0.00 O ATOM 1220 CB CYS A 99 -3.208 -0.877 -5.527 1.00 0.00 C ATOM 1221 SG CYS A 99 -3.307 0.485 -4.328 1.00 0.00 S ATOM 0 H CYS A 99 -1.380 -2.625 -6.208 1.00 0.00 H new ATOM 0 HA CYS A 99 -3.045 -2.163 -3.814 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -2.401 -0.669 -6.229 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -4.133 -0.906 -6.103 1.00 0.00 H new ATOM 1226 N GLN A 100 -5.194 -3.217 -4.710 1.00 0.00 N ATOM 1227 CA GLN A 100 -6.291 -4.108 -5.067 1.00 0.00 C ATOM 1228 C GLN A 100 -7.637 -3.503 -4.682 1.00 0.00 C ATOM 1229 O GLN A 100 -7.788 -2.933 -3.602 1.00 0.00 O ATOM 1230 CB GLN A 100 -6.115 -5.466 -4.385 1.00 0.00 C ATOM 1231 CG GLN A 100 -6.982 -6.563 -4.988 1.00 0.00 C ATOM 1232 CD GLN A 100 -6.448 -7.951 -4.686 1.00 0.00 C ATOM 1233 OE1 GLN A 100 -7.161 -8.804 -4.158 1.00 0.00 O ATOM 1234 NE2 GLN A 100 -5.187 -8.185 -5.029 1.00 0.00 N ATOM 0 H GLN A 100 -5.391 -2.597 -3.924 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.274 -4.246 -6.148 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.068 -5.764 -4.450 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.353 -5.366 -3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.997 -6.475 -4.601 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.039 -6.425 -6.068 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.632 -7.448 -5.465 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.773 -9.101 -4.857 1.00 0.00 H new ATOM 1243 N ALA A 101 -8.613 -3.638 -5.573 1.00 0.00 N ATOM 1244 CA ALA A 101 -9.951 -3.111 -5.333 1.00 0.00 C ATOM 1245 C ALA A 101 -11.014 -4.106 -5.786 1.00 0.00 C ATOM 1246 O ALA A 101 -10.737 -5.000 -6.585 1.00 0.00 O ATOM 1247 CB ALA A 101 -10.131 -1.779 -6.056 1.00 0.00 C ATOM 0 H ALA A 101 -8.502 -4.109 -6.471 1.00 0.00 H new ATOM 0 HA ALA A 101 -10.069 -2.949 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.134 -1.396 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.395 -1.063 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -9.992 -1.925 -7.127 1.00 0.00 H new ATOM 1253 N MET A 102 -12.227 -3.951 -5.269 1.00 0.00 N ATOM 1254 CA MET A 102 -13.324 -4.844 -5.625 1.00 0.00 C ATOM 1255 C MET A 102 -14.579 -4.055 -5.991 1.00 0.00 C ATOM 1256 O MET A 102 -15.182 -3.401 -5.141 1.00 0.00 O ATOM 1257 CB MET A 102 -13.628 -5.798 -4.476 1.00 0.00 C ATOM 1258 CG MET A 102 -14.730 -6.798 -4.778 1.00 0.00 C ATOM 1259 SD MET A 102 -14.444 -8.405 -4.013 1.00 0.00 S ATOM 1260 CE MET A 102 -15.939 -9.274 -4.482 1.00 0.00 C ATOM 0 H MET A 102 -12.476 -3.218 -4.604 1.00 0.00 H new ATOM 0 HA MET A 102 -13.015 -5.422 -6.496 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.719 -6.342 -4.219 1.00 0.00 H new ATOM 0 HB3 MET A 102 -13.910 -5.216 -3.599 1.00 0.00 H new ATOM 0 HG2 MET A 102 -15.682 -6.399 -4.429 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.814 -6.924 -5.857 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.912 -10.287 -4.081 1.00 0.00 H new ATOM 0 HE2 MET A 102 -16.806 -8.749 -4.081 1.00 0.00 H new ATOM 0 HE3 MET A 102 -16.010 -9.315 -5.569 1.00 0.00 H new ATOM 1270 N ASN A 103 -14.967 -4.127 -7.268 1.00 0.00 N ATOM 1271 CA ASN A 103 -16.152 -3.425 -7.738 1.00 0.00 C ATOM 1272 C ASN A 103 -17.375 -4.336 -7.698 1.00 0.00 C ATOM 1273 O ASN A 103 -17.320 -5.440 -7.155 1.00 0.00 O ATOM 1274 CB ASN A 103 -15.926 -2.914 -9.172 1.00 0.00 C ATOM 1275 CG ASN A 103 -15.662 -1.422 -9.207 1.00 0.00 C ATOM 1276 OD1 ASN A 103 -14.512 -0.985 -9.277 1.00 0.00 O ATOM 1277 ND2 ASN A 103 -16.728 -0.630 -9.172 1.00 0.00 N ATOM 0 H ASN A 103 -14.478 -4.662 -7.986 1.00 0.00 H new ATOM 0 HA ASN A 103 -16.333 -2.577 -7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -15.082 -3.442 -9.617 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -16.801 -3.142 -9.780 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -16.612 0.383 -9.203 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -17.662 -1.035 -9.114 1.00 0.00 H new ATOM 1284 N ARG A 104 -18.477 -3.868 -8.275 1.00 0.00 N ATOM 1285 CA ARG A 104 -19.712 -4.642 -8.303 1.00 0.00 C ATOM 1286 C ARG A 104 -19.511 -5.962 -9.048 1.00 0.00 C ATOM 1287 O ARG A 104 -20.087 -6.985 -8.670 1.00 0.00 O ATOM 1288 CB ARG A 104 -20.827 -3.839 -8.974 1.00 0.00 C ATOM 1289 CG ARG A 104 -21.221 -2.586 -8.209 1.00 0.00 C ATOM 1290 CD ARG A 104 -21.948 -1.596 -9.105 1.00 0.00 C ATOM 1291 NE ARG A 104 -21.043 -0.593 -9.661 1.00 0.00 N ATOM 1292 CZ ARG A 104 -21.274 0.072 -10.791 1.00 0.00 C ATOM 1293 NH1 ARG A 104 -22.382 -0.151 -11.489 1.00 0.00 N ATOM 1294 NH2 ARG A 104 -20.396 0.966 -11.225 1.00 0.00 N ATOM 0 H ARG A 104 -18.540 -2.957 -8.729 1.00 0.00 H new ATOM 0 HA ARG A 104 -19.995 -4.861 -7.273 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -20.507 -3.556 -9.977 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -21.704 -4.476 -9.087 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -21.861 -2.857 -7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -20.330 -2.116 -7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -22.436 -2.134 -9.918 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -22.733 -1.099 -8.534 1.00 0.00 H new ATOM 0 HE ARG A 104 -20.182 -0.390 -9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -23.063 -0.836 -11.160 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -22.552 0.362 -12.354 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -19.544 1.144 -10.693 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -20.573 1.476 -12.091 1.00 0.00 H new ATOM 1308 N ASN A 105 -18.693 -5.932 -10.087 1.00 0.00 N ATOM 1309 CA ASN A 105 -18.418 -7.127 -10.878 1.00 0.00 C ATOM 1310 C ASN A 105 -17.170 -7.847 -10.374 1.00 0.00 C ATOM 1311 O ASN A 105 -16.997 -9.042 -10.610 1.00 0.00 O ATOM 1312 CB ASN A 105 -18.247 -6.757 -12.360 1.00 0.00 C ATOM 1313 CG ASN A 105 -19.575 -6.544 -13.060 1.00 0.00 C ATOM 1314 OD1 ASN A 105 -19.907 -7.247 -14.006 1.00 0.00 O ATOM 1315 ND2 ASN A 105 -20.342 -5.568 -12.588 1.00 0.00 N ATOM 0 H ASN A 105 -18.206 -5.094 -10.405 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.268 -7.802 -10.773 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -17.649 -5.849 -12.438 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -17.695 -7.548 -12.868 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -21.248 -5.379 -13.016 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -20.025 -5.007 -11.797 1.00 0.00 H new ATOM 1322 N GLY A 106 -16.304 -7.115 -9.679 1.00 0.00 N ATOM 1323 CA GLY A 106 -15.087 -7.709 -9.164 1.00 0.00 C ATOM 1324 C GLY A 106 -13.845 -7.219 -9.875 1.00 0.00 C ATOM 1325 O GLY A 106 -12.938 -8.000 -10.168 1.00 0.00 O ATOM 0 H GLY A 106 -16.424 -6.125 -9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -15.002 -7.486 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.150 -8.793 -9.259 1.00 0.00 H new ATOM 1329 N LYS A 107 -13.803 -5.924 -10.167 1.00 0.00 N ATOM 1330 CA LYS A 107 -12.662 -5.331 -10.855 1.00 0.00 C ATOM 1331 C LYS A 107 -11.508 -5.097 -9.886 1.00 0.00 C ATOM 1332 O LYS A 107 -11.695 -4.530 -8.809 1.00 0.00 O ATOM 1333 CB LYS A 107 -13.069 -4.012 -11.519 1.00 0.00 C ATOM 1334 CG LYS A 107 -11.903 -3.241 -12.124 1.00 0.00 C ATOM 1335 CD LYS A 107 -12.365 -1.946 -12.772 1.00 0.00 C ATOM 1336 CE LYS A 107 -11.231 -1.263 -13.510 1.00 0.00 C ATOM 1337 NZ LYS A 107 -11.376 0.219 -13.506 1.00 0.00 N ATOM 0 H LYS A 107 -14.546 -5.264 -9.938 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.329 -6.026 -11.626 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -13.799 -4.220 -12.301 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -13.564 -3.382 -10.780 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.171 -3.019 -11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.402 -3.862 -12.867 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -13.179 -2.155 -13.466 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.760 -1.276 -12.009 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.282 -1.536 -13.049 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.200 -1.622 -14.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.580 0.647 -14.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.269 0.482 -13.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.380 0.565 -12.525 1.00 0.00 H new ATOM 1351 N GLU A 108 -10.315 -5.534 -10.275 1.00 0.00 N ATOM 1352 CA GLU A 108 -9.129 -5.372 -9.441 1.00 0.00 C ATOM 1353 C GLU A 108 -8.136 -4.412 -10.089 1.00 0.00 C ATOM 1354 O GLU A 108 -8.052 -4.323 -11.314 1.00 0.00 O ATOM 1355 CB GLU A 108 -8.461 -6.727 -9.208 1.00 0.00 C ATOM 1356 CG GLU A 108 -8.172 -7.500 -10.478 1.00 0.00 C ATOM 1357 CD GLU A 108 -7.502 -8.833 -10.214 1.00 0.00 C ATOM 1358 OE1 GLU A 108 -8.182 -9.749 -9.705 1.00 0.00 O ATOM 1359 OE2 GLU A 108 -6.297 -8.963 -10.517 1.00 0.00 O ATOM 0 H GLU A 108 -10.143 -6.004 -11.164 1.00 0.00 H new ATOM 0 HA GLU A 108 -9.441 -4.954 -8.484 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -7.526 -6.571 -8.669 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -9.102 -7.331 -8.566 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.105 -7.668 -11.016 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.534 -6.900 -11.126 1.00 0.00 H new ATOM 1366 N THR A 109 -7.387 -3.694 -9.259 1.00 0.00 N ATOM 1367 CA THR A 109 -6.401 -2.740 -9.760 1.00 0.00 C ATOM 1368 C THR A 109 -5.006 -3.356 -9.776 1.00 0.00 C ATOM 1369 O THR A 109 -4.554 -3.918 -8.771 1.00 0.00 O ATOM 1370 CB THR A 109 -6.404 -1.479 -8.896 1.00 0.00 C ATOM 1371 OG1 THR A 109 -5.297 -0.653 -9.201 1.00 0.00 O ATOM 1372 CG2 THR A 109 -6.355 -1.770 -7.412 1.00 0.00 C ATOM 0 H THR A 109 -7.442 -3.753 -8.242 1.00 0.00 H new ATOM 0 HA THR A 109 -6.672 -2.476 -10.782 1.00 0.00 H new ATOM 0 HB THR A 109 -7.345 -0.980 -9.126 1.00 0.00 H new ATOM 0 HG1 THR A 109 -5.321 0.148 -8.637 1.00 0.00 H new ATOM 0 HG21 THR A 109 -6.360 -0.832 -6.857 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.224 -2.364 -7.129 1.00 0.00 H new ATOM 0 HG23 THR A 109 -5.446 -2.324 -7.180 1.00 0.00 H new ATOM 1380 N LYS A 110 -4.329 -3.245 -10.907 1.00 0.00 N ATOM 1381 CA LYS A 110 -2.984 -3.790 -11.053 1.00 0.00 C ATOM 1382 C LYS A 110 -1.932 -2.716 -10.793 1.00 0.00 C ATOM 1383 O LYS A 110 -1.988 -1.627 -11.363 1.00 0.00 O ATOM 1384 CB LYS A 110 -2.798 -4.376 -12.455 1.00 0.00 C ATOM 1385 CG LYS A 110 -2.058 -5.704 -12.467 1.00 0.00 C ATOM 1386 CD LYS A 110 -0.739 -5.605 -13.218 1.00 0.00 C ATOM 1387 CE LYS A 110 -0.516 -6.814 -14.114 1.00 0.00 C ATOM 1388 NZ LYS A 110 0.182 -7.916 -13.397 1.00 0.00 N ATOM 0 H LYS A 110 -4.688 -2.781 -11.742 1.00 0.00 H new ATOM 0 HA LYS A 110 -2.857 -4.583 -10.316 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.776 -4.511 -12.916 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.252 -3.660 -13.069 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.870 -6.026 -11.443 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.685 -6.466 -12.931 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.730 -4.697 -13.821 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.082 -5.523 -12.505 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.476 -7.173 -14.485 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.071 -6.518 -14.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.315 -8.721 -14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.109 -7.582 -13.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.390 -8.217 -12.582 1.00 0.00 H new ATOM 1402 N SER A 111 -0.972 -3.031 -9.936 1.00 0.00 N ATOM 1403 CA SER A 111 0.092 -2.090 -9.595 1.00 0.00 C ATOM 1404 C SER A 111 1.177 -2.764 -8.763 1.00 0.00 C ATOM 1405 O SER A 111 0.888 -3.597 -7.912 1.00 0.00 O ATOM 1406 CB SER A 111 -0.480 -0.892 -8.834 1.00 0.00 C ATOM 1407 OG SER A 111 -0.818 0.162 -9.719 1.00 0.00 O ATOM 0 H SER A 111 -0.905 -3.932 -9.462 1.00 0.00 H new ATOM 0 HA SER A 111 0.541 -1.741 -10.525 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.364 -1.200 -8.277 1.00 0.00 H new ATOM 0 HB3 SER A 111 0.249 -0.539 -8.105 1.00 0.00 H new ATOM 0 HG SER A 111 -1.284 -0.203 -10.500 1.00 0.00 H new ATOM 1413 N ASN A 112 2.427 -2.395 -9.022 1.00 0.00 N ATOM 1414 CA ASN A 112 3.559 -2.961 -8.304 1.00 0.00 C ATOM 1415 C ASN A 112 4.674 -1.930 -8.146 1.00 0.00 C ATOM 1416 O ASN A 112 5.256 -1.484 -9.134 1.00 0.00 O ATOM 1417 CB ASN A 112 4.086 -4.204 -9.019 1.00 0.00 C ATOM 1418 CG ASN A 112 3.944 -5.462 -8.183 1.00 0.00 C ATOM 1419 OD1 ASN A 112 3.184 -5.495 -7.224 1.00 0.00 O ATOM 1420 ND2 ASN A 112 4.677 -6.504 -8.554 1.00 0.00 N ATOM 0 H ASN A 112 2.680 -1.703 -9.727 1.00 0.00 H new ATOM 0 HA ASN A 112 3.215 -3.251 -7.311 1.00 0.00 H new ATOM 0 HB2 ASN A 112 3.548 -4.334 -9.958 1.00 0.00 H new ATOM 0 HB3 ASN A 112 5.136 -4.056 -9.271 1.00 0.00 H new ATOM 0 HD21 ASN A 112 4.620 -7.379 -8.033 1.00 0.00 H new ATOM 0 HD22 ASN A 112 5.297 -6.430 -9.361 1.00 0.00 H new ATOM 1427 N TYR A 113 4.962 -1.552 -6.905 1.00 0.00 N ATOM 1428 CA TYR A 113 6.005 -0.568 -6.630 1.00 0.00 C ATOM 1429 C TYR A 113 7.058 -1.134 -5.682 1.00 0.00 C ATOM 1430 O TYR A 113 6.745 -1.540 -4.562 1.00 0.00 O ATOM 1431 CB TYR A 113 5.398 0.703 -6.036 1.00 0.00 C ATOM 1432 CG TYR A 113 4.027 1.046 -6.571 1.00 0.00 C ATOM 1433 CD1 TYR A 113 3.742 0.911 -7.923 1.00 0.00 C ATOM 1434 CD2 TYR A 113 3.020 1.501 -5.730 1.00 0.00 C ATOM 1435 CE1 TYR A 113 2.491 1.223 -8.422 1.00 0.00 C ATOM 1436 CE2 TYR A 113 1.767 1.813 -6.228 1.00 0.00 C ATOM 1437 CZ TYR A 113 1.507 1.674 -7.567 1.00 0.00 C ATOM 1438 OH TYR A 113 0.261 1.984 -8.068 1.00 0.00 O ATOM 0 H TYR A 113 4.490 -1.910 -6.075 1.00 0.00 H new ATOM 0 HA TYR A 113 6.490 -0.322 -7.575 1.00 0.00 H new ATOM 0 HB2 TYR A 113 5.335 0.590 -4.954 1.00 0.00 H new ATOM 0 HB3 TYR A 113 6.071 1.538 -6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 113 4.509 0.557 -8.595 1.00 0.00 H new ATOM 0 HD2 TYR A 113 3.217 1.613 -4.674 1.00 0.00 H new ATOM 0 HE1 TYR A 113 2.285 1.114 -9.477 1.00 0.00 H new ATOM 0 HE2 TYR A 113 0.994 2.166 -5.562 1.00 0.00 H new ATOM 0 HH TYR A 113 0.107 1.483 -8.896 1.00 0.00 H new ATOM 1448 N ARG A 114 8.307 -1.151 -6.144 1.00 0.00 N ATOM 1449 CA ARG A 114 9.409 -1.658 -5.327 1.00 0.00 C ATOM 1450 C ARG A 114 10.106 -0.514 -4.599 1.00 0.00 C ATOM 1451 O ARG A 114 10.507 0.473 -5.224 1.00 0.00 O ATOM 1452 CB ARG A 114 10.412 -2.410 -6.212 1.00 0.00 C ATOM 1453 CG ARG A 114 11.256 -3.415 -5.439 1.00 0.00 C ATOM 1454 CD ARG A 114 12.569 -2.803 -4.988 1.00 0.00 C ATOM 1455 NE ARG A 114 13.519 -3.817 -4.529 1.00 0.00 N ATOM 1456 CZ ARG A 114 13.439 -4.437 -3.353 1.00 0.00 C ATOM 1457 NH1 ARG A 114 12.456 -4.151 -2.510 1.00 0.00 N ATOM 1458 NH2 ARG A 114 14.346 -5.345 -3.021 1.00 0.00 N ATOM 0 H ARG A 114 8.580 -0.823 -7.070 1.00 0.00 H new ATOM 0 HA ARG A 114 9.005 -2.344 -4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 114 9.871 -2.931 -7.002 1.00 0.00 H new ATOM 0 HB3 ARG A 114 11.070 -1.690 -6.698 1.00 0.00 H new ATOM 0 HG2 ARG A 114 10.700 -3.768 -4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 114 11.454 -4.285 -6.066 1.00 0.00 H new ATOM 0 HD2 ARG A 114 13.009 -2.241 -5.812 1.00 0.00 H new ATOM 0 HD3 ARG A 114 12.380 -2.093 -4.183 1.00 0.00 H new ATOM 0 HE ARG A 114 14.291 -4.064 -5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 114 11.756 -3.453 -2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 114 12.400 -4.629 -1.611 1.00 0.00 H new ATOM 0 HH21 ARG A 114 15.104 -5.568 -3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 114 14.286 -5.820 -2.121 1.00 0.00 H new ATOM 1472 N VAL A 115 10.243 -0.646 -3.292 1.00 0.00 N ATOM 1473 CA VAL A 115 10.885 0.387 -2.479 1.00 0.00 C ATOM 1474 C VAL A 115 12.006 -0.185 -1.618 1.00 0.00 C ATOM 1475 O VAL A 115 11.840 -1.215 -0.965 1.00 0.00 O ATOM 1476 CB VAL A 115 9.868 1.097 -1.566 1.00 0.00 C ATOM 1477 CG1 VAL A 115 10.509 2.290 -0.874 1.00 0.00 C ATOM 1478 CG2 VAL A 115 8.646 1.528 -2.363 1.00 0.00 C ATOM 0 H VAL A 115 9.920 -1.457 -2.765 1.00 0.00 H new ATOM 0 HA VAL A 115 11.308 1.108 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 115 9.545 0.393 -0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.774 2.778 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 115 11.349 1.951 -0.268 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.864 2.998 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.938 2.028 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.951 2.214 -3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 115 8.172 0.652 -2.805 1.00 0.00 H new ATOM 1488 N ARG A 116 13.143 0.501 -1.618 1.00 0.00 N ATOM 1489 CA ARG A 116 14.297 0.079 -0.840 1.00 0.00 C ATOM 1490 C ARG A 116 14.770 1.217 0.049 1.00 0.00 C ATOM 1491 O ARG A 116 14.742 2.382 -0.333 1.00 0.00 O ATOM 1492 CB ARG A 116 15.433 -0.370 -1.753 1.00 0.00 C ATOM 1493 CG ARG A 116 16.520 -1.156 -1.038 1.00 0.00 C ATOM 1494 CD ARG A 116 15.997 -2.486 -0.524 1.00 0.00 C ATOM 1495 NE ARG A 116 16.545 -3.619 -1.257 1.00 0.00 N ATOM 1496 CZ ARG A 116 17.762 -4.120 -1.053 1.00 0.00 C ATOM 1497 NH1 ARG A 116 18.559 -3.591 -0.134 1.00 0.00 N ATOM 1498 NH2 ARG A 116 18.182 -5.152 -1.771 1.00 0.00 N ATOM 0 H ARG A 116 13.289 1.357 -2.153 1.00 0.00 H new ATOM 0 HA ARG A 116 13.999 -0.765 -0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 116 15.022 -0.983 -2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 116 15.880 0.508 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 116 17.353 -1.330 -1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 116 16.907 -0.569 -0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 116 16.244 -2.587 0.533 1.00 0.00 H new ATOM 0 HD3 ARG A 116 14.910 -2.499 -0.600 1.00 0.00 H new ATOM 0 HE ARG A 116 15.961 -4.055 -1.970 1.00 0.00 H new ATOM 0 HH11 ARG A 116 18.241 -2.796 0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 116 19.490 -3.979 0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 116 17.573 -5.562 -2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 116 19.114 -5.536 -1.615 1.00 0.00 H new ATOM 1512 N VAL A 117 15.197 0.881 1.261 1.00 0.00 N ATOM 1513 CA VAL A 117 15.665 1.889 2.212 1.00 0.00 C ATOM 1514 C VAL A 117 17.182 2.045 2.150 1.00 0.00 C ATOM 1515 O VAL A 117 17.900 1.116 1.781 1.00 0.00 O ATOM 1516 CB VAL A 117 15.235 1.561 3.649 1.00 0.00 C ATOM 1517 CG1 VAL A 117 13.747 1.247 3.716 1.00 0.00 C ATOM 1518 CG2 VAL A 117 16.054 0.406 4.214 1.00 0.00 C ATOM 0 H VAL A 117 15.230 -0.077 1.610 1.00 0.00 H new ATOM 0 HA VAL A 117 15.201 2.832 1.923 1.00 0.00 H new ATOM 0 HB VAL A 117 15.423 2.443 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 117 13.469 1.018 4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 117 13.177 2.109 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 117 13.527 0.388 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 117 15.729 0.194 5.233 1.00 0.00 H new ATOM 0 HG22 VAL A 117 15.909 -0.480 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 117 17.110 0.677 4.219 1.00 0.00 H new ATOM 1528 N TYR A 118 17.658 3.228 2.528 1.00 0.00 N ATOM 1529 CA TYR A 118 19.087 3.516 2.524 1.00 0.00 C ATOM 1530 C TYR A 118 19.818 2.704 3.583 1.00 0.00 C ATOM 1531 O TYR A 118 20.438 1.683 3.292 1.00 0.00 O ATOM 1532 CB TYR A 118 19.324 5.010 2.742 1.00 0.00 C ATOM 1533 CG TYR A 118 19.466 5.802 1.462 1.00 0.00 C ATOM 1534 CD1 TYR A 118 18.400 5.930 0.583 1.00 0.00 C ATOM 1535 CD2 TYR A 118 20.665 6.422 1.144 1.00 0.00 C ATOM 1536 CE1 TYR A 118 18.524 6.653 -0.573 1.00 0.00 C ATOM 1537 CE2 TYR A 118 20.798 7.147 -0.018 1.00 0.00 C ATOM 1538 CZ TYR A 118 19.724 7.259 -0.884 1.00 0.00 C ATOM 1539 OH TYR A 118 19.852 7.981 -2.041 1.00 0.00 O ATOM 0 H TYR A 118 17.073 4.003 2.841 1.00 0.00 H new ATOM 0 HA TYR A 118 19.486 3.231 1.550 1.00 0.00 H new ATOM 0 HB2 TYR A 118 18.495 5.419 3.320 1.00 0.00 H new ATOM 0 HB3 TYR A 118 20.225 5.141 3.341 1.00 0.00 H new ATOM 0 HD1 TYR A 118 17.459 5.453 0.814 1.00 0.00 H new ATOM 0 HD2 TYR A 118 21.505 6.335 1.817 1.00 0.00 H new ATOM 0 HE1 TYR A 118 17.682 6.749 -1.242 1.00 0.00 H new ATOM 0 HE2 TYR A 118 21.737 7.627 -0.253 1.00 0.00 H new ATOM 0 HH TYR A 118 20.762 8.340 -2.103 1.00 0.00 H new ATOM 1549 N GLN A 119 19.750 3.169 4.836 1.00 0.00 N ATOM 1550 CA GLN A 119 20.411 2.490 5.937 1.00 0.00 C ATOM 1551 C GLN A 119 19.616 1.272 6.394 1.00 0.00 C ATOM 1552 O GLN A 119 18.389 1.316 6.483 1.00 0.00 O ATOM 1553 CB GLN A 119 20.601 3.455 7.110 1.00 0.00 C ATOM 1554 CG GLN A 119 21.916 4.217 7.065 1.00 0.00 C ATOM 1555 CD GLN A 119 22.957 3.638 8.002 1.00 0.00 C ATOM 1556 OE1 GLN A 119 23.628 4.369 8.731 1.00 0.00 O ATOM 1557 NE2 GLN A 119 23.098 2.318 7.986 1.00 0.00 N ATOM 0 H GLN A 119 19.243 4.012 5.104 1.00 0.00 H new ATOM 0 HA GLN A 119 21.385 2.149 5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 119 19.777 4.169 7.119 1.00 0.00 H new ATOM 0 HB3 GLN A 119 20.547 2.894 8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 119 22.303 4.206 6.046 1.00 0.00 H new ATOM 0 HG3 GLN A 119 21.737 5.260 7.327 1.00 0.00 H new ATOM 0 HE21 GLN A 119 22.520 1.751 7.366 1.00 0.00 H new ATOM 0 HE22 GLN A 119 23.784 1.871 8.594 1.00 0.00 H new ATOM 1566 N ILE A 120 20.325 0.186 6.692 1.00 0.00 N ATOM 1567 CA ILE A 120 19.690 -1.048 7.144 1.00 0.00 C ATOM 1568 C ILE A 120 20.130 -1.401 8.555 1.00 0.00 C ATOM 1569 O ILE A 120 21.200 -0.985 9.003 1.00 0.00 O ATOM 1570 CB ILE A 120 20.005 -2.236 6.208 1.00 0.00 C ATOM 1571 CG1 ILE A 120 21.322 -2.001 5.457 1.00 0.00 C ATOM 1572 CG2 ILE A 120 18.864 -2.447 5.224 1.00 0.00 C ATOM 1573 CD1 ILE A 120 21.654 -3.082 4.450 1.00 0.00 C ATOM 0 H ILE A 120 21.342 0.136 6.628 1.00 0.00 H new ATOM 0 HA ILE A 120 18.615 -0.868 7.129 1.00 0.00 H new ATOM 0 HB ILE A 120 20.114 -3.134 6.816 1.00 0.00 H new ATOM 0 HG12 ILE A 120 21.269 -1.042 4.942 1.00 0.00 H new ATOM 0 HG13 ILE A 120 22.134 -1.930 6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 120 19.098 -3.287 4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 120 17.946 -2.659 5.772 1.00 0.00 H new ATOM 0 HG23 ILE A 120 18.730 -1.547 4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 120 22.599 -2.845 3.960 1.00 0.00 H new ATOM 0 HD12 ILE A 120 21.740 -4.041 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 120 20.862 -3.139 3.703 1.00 0.00 H new ATOM 1585 N PRO A 121 19.310 -2.177 9.283 1.00 0.00 N ATOM 1586 CA PRO A 121 19.623 -2.585 10.657 1.00 0.00 C ATOM 1587 C PRO A 121 20.784 -3.572 10.718 1.00 0.00 C ATOM 1588 O PRO A 121 21.662 -3.506 9.831 1.00 0.00 O ATOM 1589 CB PRO A 121 18.330 -3.251 11.135 1.00 0.00 C ATOM 1590 CG PRO A 121 17.665 -3.723 9.889 1.00 0.00 C ATOM 1591 CD PRO A 121 18.017 -2.719 8.826 1.00 0.00 C ATOM 1592 OXT PRO A 121 20.805 -4.402 11.650 1.00 0.00 O ATOM 0 HA PRO A 121 19.935 -1.740 11.271 1.00 0.00 H new ATOM 0 HB2 PRO A 121 18.538 -4.080 11.811 1.00 0.00 H new ATOM 0 HB3 PRO A 121 17.699 -2.547 11.678 1.00 0.00 H new ATOM 0 HG2 PRO A 121 18.012 -4.719 9.615 1.00 0.00 H new ATOM 0 HG3 PRO A 121 16.585 -3.787 10.023 1.00 0.00 H new ATOM 0 HD2 PRO A 121 18.101 -3.186 7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 121 17.260 -1.939 8.744 1.00 0.00 H new TER 1600 PRO A 121