USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 864 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 34 THR OG1 : rot -60:sc= 0.146 USER MOD Set 1.2: A 38 CYS SG : rot -149:sc= 0.665 USER MOD Set 1.3: A 41 CYS SG : rot 180:sc= -2.44 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0407) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 9 CYS SG : rot 76:sc= 1.28 USER MOD Set 3.2: A 14 THR OG1 : rot 104:sc= 0.434 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 10 HIS : no HE2:sc= 0.447 K(o=0.45,f=-1.5!) USER MOD Single : A 11 THR OG1 : rot 128:sc= 0.848 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -0.464 K(o=-0.46,f=-1.4) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.966 X(o=-0.97,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl -122:sc= -0.286 (180deg=-0.641) USER MOD Single : A 82 THR OG1 : rot 64:sc= 0.541 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -150:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 80:sc= 0.401 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= 0.0992 K(o=0.099,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -9.744 6.504 11.553 1.00 0.00 N ATOM 29 CA GLU A 3 -8.322 6.447 11.161 1.00 0.00 C ATOM 30 C GLU A 3 -8.133 5.315 10.130 1.00 0.00 C ATOM 31 O GLU A 3 -8.853 4.389 9.957 1.00 0.00 O ATOM 32 CB GLU A 3 -7.311 6.411 12.377 1.00 0.00 C ATOM 33 CG GLU A 3 -7.313 5.138 13.281 1.00 0.00 C ATOM 34 CD GLU A 3 -6.361 5.232 14.478 1.00 0.00 C ATOM 35 OE1 GLU A 3 -5.375 4.510 14.693 1.00 0.00 O ATOM 36 OE2 GLU A 3 -6.717 6.205 15.326 1.00 0.00 O ATOM 0 HA GLU A 3 -8.057 7.389 10.681 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.304 6.540 11.981 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.517 7.274 13.011 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.325 4.964 13.646 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.039 4.273 12.677 1.00 0.00 H new ATOM 44 N GLY A 4 -6.975 5.508 9.500 1.00 0.00 N ATOM 45 CA GLY A 4 -6.234 4.565 8.620 1.00 0.00 C ATOM 46 C GLY A 4 -5.650 3.419 9.429 1.00 0.00 C ATOM 47 O GLY A 4 -5.464 3.437 10.667 1.00 0.00 O ATOM 0 H GLY A 4 -6.479 6.395 9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.903 4.172 7.855 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.435 5.095 8.102 1.00 0.00 H new ATOM 51 N GLN A 5 -5.449 2.340 8.690 1.00 0.00 N ATOM 52 CA GLN A 5 -5.097 1.050 9.258 1.00 0.00 C ATOM 53 C GLN A 5 -4.247 0.285 8.165 1.00 0.00 C ATOM 54 O GLN A 5 -4.636 0.240 6.992 1.00 0.00 O ATOM 55 CB GLN A 5 -6.359 0.303 9.807 1.00 0.00 C ATOM 56 CG GLN A 5 -7.129 -0.718 8.930 1.00 0.00 C ATOM 57 CD GLN A 5 -8.403 -1.154 9.596 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.352 -0.342 9.860 1.00 0.00 O ATOM 59 NE2 GLN A 5 -8.503 -2.450 9.940 1.00 0.00 N ATOM 0 H GLN A 5 -5.526 2.335 7.673 1.00 0.00 H new ATOM 0 HA GLN A 5 -4.475 1.139 10.149 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.051 -0.222 10.711 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.075 1.067 10.110 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.356 -0.272 7.962 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.499 -1.587 8.740 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.742 -3.094 9.727 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.340 -2.789 10.414 1.00 0.00 H new ATOM 68 N VAL A 6 -3.132 -0.314 8.643 1.00 0.00 N ATOM 69 CA VAL A 6 -2.167 -1.172 7.934 1.00 0.00 C ATOM 70 C VAL A 6 -2.445 -2.601 8.501 1.00 0.00 C ATOM 71 O VAL A 6 -2.381 -2.936 9.680 1.00 0.00 O ATOM 72 CB VAL A 6 -0.708 -0.696 8.214 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.322 -1.389 7.278 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.407 0.845 8.392 1.00 0.00 C ATOM 0 H VAL A 6 -2.865 -0.196 9.620 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.275 -1.143 6.850 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.582 -1.040 9.240 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.324 -1.027 7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.282 -2.468 7.428 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.083 -1.158 6.240 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.657 0.989 8.579 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.691 1.378 7.485 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.979 1.233 9.235 1.00 0.00 H new ATOM 84 N ILE A 7 -2.905 -3.447 7.604 1.00 0.00 N ATOM 85 CA ILE A 7 -3.415 -4.851 7.733 1.00 0.00 C ATOM 86 C ILE A 7 -2.454 -5.749 6.887 1.00 0.00 C ATOM 87 O ILE A 7 -2.350 -5.619 5.651 1.00 0.00 O ATOM 88 CB ILE A 7 -4.991 -4.893 7.524 1.00 0.00 C ATOM 89 CG1 ILE A 7 -5.792 -5.984 8.237 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.356 -4.742 6.025 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.431 -7.405 7.781 1.00 0.00 C ATOM 0 H ILE A 7 -2.947 -3.154 6.628 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.367 -5.292 8.729 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.336 -4.017 8.073 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.626 -5.902 9.311 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.855 -5.815 8.065 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.439 -4.774 5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.979 -3.789 5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.906 -5.557 5.457 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.037 -8.128 8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.624 -7.504 6.713 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.376 -7.593 7.978 1.00 0.00 H new ATOM 103 N ALA A 8 -1.849 -6.668 7.641 1.00 0.00 N ATOM 104 CA ALA A 8 -1.107 -7.840 7.161 1.00 0.00 C ATOM 105 C ALA A 8 -1.821 -8.815 6.181 1.00 0.00 C ATOM 106 O ALA A 8 -2.981 -9.212 6.347 1.00 0.00 O ATOM 107 CB ALA A 8 -0.737 -8.530 8.472 1.00 0.00 C ATOM 0 H ALA A 8 -1.863 -6.614 8.659 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.281 -7.520 6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.170 -9.436 8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.131 -7.857 9.079 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.645 -8.790 9.015 1.00 0.00 H new ATOM 113 N CYS A 9 -1.156 -9.156 5.053 1.00 0.00 N ATOM 114 CA CYS A 9 -1.758 -9.764 3.804 1.00 0.00 C ATOM 115 C CYS A 9 -0.797 -10.802 3.114 1.00 0.00 C ATOM 116 O CYS A 9 0.412 -10.687 3.087 1.00 0.00 O ATOM 117 CB CYS A 9 -2.182 -8.725 2.823 1.00 0.00 C ATOM 118 SG CYS A 9 -3.527 -7.678 3.538 1.00 0.00 S ATOM 0 H CYS A 9 -0.149 -9.018 4.966 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.645 -10.302 4.137 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.330 -8.101 2.553 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.531 -9.201 1.907 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.019 -6.847 4.399 1.00 0.00 H new ATOM 124 N HIS A 10 -1.449 -11.945 2.633 1.00 0.00 N ATOM 125 CA HIS A 10 -0.734 -13.211 2.361 1.00 0.00 C ATOM 126 C HIS A 10 -1.382 -14.038 1.148 1.00 0.00 C ATOM 127 O HIS A 10 -0.781 -14.990 0.670 1.00 0.00 O ATOM 128 CB HIS A 10 -0.631 -14.120 3.591 1.00 0.00 C ATOM 129 CG HIS A 10 0.467 -13.744 4.659 1.00 0.00 C ATOM 130 ND1 HIS A 10 1.801 -13.986 4.595 1.00 0.00 N ATOM 131 CD2 HIS A 10 0.186 -12.807 5.640 1.00 0.00 C ATOM 132 CE1 HIS A 10 2.251 -13.036 5.534 1.00 0.00 C ATOM 133 NE2 HIS A 10 1.344 -12.300 6.212 1.00 0.00 N ATOM 0 H HIS A 10 -2.450 -11.983 2.439 1.00 0.00 H new ATOM 0 HA HIS A 10 0.272 -12.901 2.078 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.601 -14.130 4.089 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.438 -15.136 3.248 1.00 0.00 H new ATOM 0 HD1 HIS A 10 2.324 -14.658 4.033 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.812 -12.508 5.925 1.00 0.00 H new ATOM 0 HE1 HIS A 10 3.308 -12.898 5.709 1.00 0.00 H new ATOM 141 N THR A 11 -2.643 -13.856 0.788 1.00 0.00 N ATOM 142 CA THR A 11 -3.425 -14.976 0.120 1.00 0.00 C ATOM 143 C THR A 11 -4.493 -14.292 -0.826 1.00 0.00 C ATOM 144 O THR A 11 -4.602 -13.025 -0.813 1.00 0.00 O ATOM 145 CB THR A 11 -4.082 -15.909 1.159 1.00 0.00 C ATOM 146 OG1 THR A 11 -4.749 -15.109 2.192 1.00 0.00 O ATOM 147 CG2 THR A 11 -3.075 -16.876 1.727 1.00 0.00 C ATOM 0 H THR A 11 -3.164 -12.990 0.925 1.00 0.00 H new ATOM 0 HA THR A 11 -2.761 -15.615 -0.463 1.00 0.00 H new ATOM 0 HB THR A 11 -4.845 -16.516 0.672 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.677 -15.409 2.289 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.563 -17.522 2.457 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.661 -17.484 0.923 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.272 -16.322 2.213 1.00 0.00 H new ATOM 155 N VAL A 12 -5.306 -15.034 -1.691 1.00 0.00 N ATOM 156 CA VAL A 12 -6.509 -14.485 -2.412 1.00 0.00 C ATOM 157 C VAL A 12 -7.609 -13.651 -1.531 1.00 0.00 C ATOM 158 O VAL A 12 -8.478 -12.986 -2.065 1.00 0.00 O ATOM 159 CB VAL A 12 -7.083 -15.480 -3.381 1.00 0.00 C ATOM 160 CG1 VAL A 12 -7.726 -16.739 -2.651 1.00 0.00 C ATOM 161 CG2 VAL A 12 -8.102 -14.968 -4.423 1.00 0.00 C ATOM 0 H VAL A 12 -5.133 -16.018 -1.895 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.104 -13.663 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.188 -15.745 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.126 -17.427 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.963 -17.247 -2.061 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.531 -16.407 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.428 -15.797 -5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.964 -14.541 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.635 -14.204 -5.044 1.00 0.00 H new ATOM 171 N ASP A 13 -7.604 -13.829 -0.175 1.00 0.00 N ATOM 172 CA ASP A 13 -8.302 -12.976 0.752 1.00 0.00 C ATOM 173 C ASP A 13 -7.858 -11.494 0.621 1.00 0.00 C ATOM 174 O ASP A 13 -8.798 -10.667 0.659 1.00 0.00 O ATOM 175 CB ASP A 13 -8.227 -13.448 2.239 1.00 0.00 C ATOM 176 CG ASP A 13 -8.601 -14.907 2.508 1.00 0.00 C ATOM 177 OD1 ASP A 13 -9.747 -15.355 2.627 1.00 0.00 O ATOM 178 OD2 ASP A 13 -7.501 -15.727 2.680 1.00 0.00 O ATOM 0 H ASP A 13 -7.098 -14.589 0.279 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.351 -13.053 0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.211 -13.283 2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.883 -12.812 2.833 1.00 0.00 H new ATOM 184 N THR A 14 -6.603 -11.124 0.510 1.00 0.00 N ATOM 185 CA THR A 14 -6.175 -9.799 -0.001 1.00 0.00 C ATOM 186 C THR A 14 -6.749 -9.333 -1.432 1.00 0.00 C ATOM 187 O THR A 14 -7.164 -8.177 -1.483 1.00 0.00 O ATOM 188 CB THR A 14 -4.704 -9.512 0.239 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.463 -8.082 0.543 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.785 -9.930 -0.894 1.00 0.00 C ATOM 0 H THR A 14 -5.824 -11.728 0.770 1.00 0.00 H new ATOM 0 HA THR A 14 -6.716 -9.106 0.643 1.00 0.00 H new ATOM 0 HB THR A 14 -4.456 -10.130 1.102 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.302 -7.974 1.504 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.754 -9.687 -0.635 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.874 -11.004 -1.057 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.065 -9.400 -1.804 1.00 0.00 H new ATOM 198 N TRP A 15 -6.806 -10.234 -2.386 1.00 0.00 N ATOM 199 CA TRP A 15 -7.574 -9.952 -3.602 1.00 0.00 C ATOM 200 C TRP A 15 -9.083 -9.534 -3.382 1.00 0.00 C ATOM 201 O TRP A 15 -9.536 -8.682 -4.160 1.00 0.00 O ATOM 202 CB TRP A 15 -7.493 -11.093 -4.589 1.00 0.00 C ATOM 203 CG TRP A 15 -6.491 -10.928 -5.715 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.317 -11.533 -5.776 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.629 -10.227 -6.905 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.676 -11.362 -7.012 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.462 -10.462 -7.689 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.657 -9.383 -7.372 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -5.306 -9.838 -8.955 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.343 -8.618 -8.559 1.00 0.00 C ATOM 211 CH2 TRP A 15 -6.210 -8.879 -9.309 1.00 0.00 C ATOM 0 H TRP A 15 -6.349 -11.145 -2.359 1.00 0.00 H new ATOM 0 HA TRP A 15 -7.086 -9.067 -4.011 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.248 -12.004 -4.042 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.481 -11.240 -5.027 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.895 -12.100 -4.959 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.817 -11.807 -7.336 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.614 -9.312 -6.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.498 -10.114 -9.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -8.008 -7.825 -8.867 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.035 -8.304 -10.206 1.00 0.00 H new ATOM 222 N LYS A 16 -9.780 -10.081 -2.432 1.00 0.00 N ATOM 223 CA LYS A 16 -11.040 -9.435 -1.960 1.00 0.00 C ATOM 224 C LYS A 16 -10.849 -7.981 -1.476 1.00 0.00 C ATOM 225 O LYS A 16 -11.529 -7.034 -1.978 1.00 0.00 O ATOM 226 CB LYS A 16 -11.848 -10.317 -0.995 1.00 0.00 C ATOM 227 CG LYS A 16 -12.372 -11.655 -1.583 1.00 0.00 C ATOM 228 CD LYS A 16 -13.204 -12.504 -0.595 1.00 0.00 C ATOM 229 CE LYS A 16 -12.313 -13.305 0.390 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.079 -13.994 1.435 1.00 0.00 N ATOM 0 H LYS A 16 -9.535 -10.950 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.667 -9.343 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.225 -10.541 -0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.700 -9.742 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.982 -11.438 -2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.522 -12.246 -1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.870 -11.851 -0.030 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.834 -13.195 -1.155 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.733 -14.039 -0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.600 -12.626 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.427 -14.510 2.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.612 -13.296 1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.741 -14.665 0.995 1.00 0.00 H new ATOM 243 N GLU A 17 -10.039 -7.816 -0.412 1.00 0.00 N ATOM 244 CA GLU A 17 -9.722 -6.517 0.254 1.00 0.00 C ATOM 245 C GLU A 17 -9.313 -5.325 -0.598 1.00 0.00 C ATOM 246 O GLU A 17 -9.951 -4.242 -0.593 1.00 0.00 O ATOM 247 CB GLU A 17 -8.684 -6.835 1.421 1.00 0.00 C ATOM 248 CG GLU A 17 -9.148 -7.823 2.538 1.00 0.00 C ATOM 249 CD GLU A 17 -8.147 -8.114 3.606 1.00 0.00 C ATOM 250 OE1 GLU A 17 -7.574 -9.195 3.719 1.00 0.00 O ATOM 251 OE2 GLU A 17 -7.955 -7.032 4.397 1.00 0.00 O ATOM 0 H GLU A 17 -9.566 -8.604 0.030 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.674 -6.133 0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.779 -7.239 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.410 -5.893 1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.044 -7.416 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.434 -8.764 2.068 1.00 0.00 H new ATOM 259 N HIS A 18 -8.187 -5.501 -1.303 1.00 0.00 N ATOM 260 CA HIS A 18 -7.625 -4.556 -2.262 1.00 0.00 C ATOM 261 C HIS A 18 -8.618 -4.148 -3.387 1.00 0.00 C ATOM 262 O HIS A 18 -8.961 -2.945 -3.499 1.00 0.00 O ATOM 263 CB HIS A 18 -6.413 -5.327 -2.932 1.00 0.00 C ATOM 264 CG HIS A 18 -5.525 -4.677 -3.979 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.697 -4.832 -5.381 1.00 0.00 N ATOM 266 CD2 HIS A 18 -4.426 -3.847 -3.703 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.742 -3.895 -5.814 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.975 -3.223 -4.881 1.00 0.00 N ATOM 0 H HIS A 18 -7.622 -6.346 -1.212 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.351 -3.636 -1.746 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.759 -5.649 -2.122 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.826 -6.228 -3.386 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.323 -5.438 -5.912 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.989 -3.707 -2.725 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.609 -3.702 -6.868 1.00 0.00 H new ATOM 276 N PHE A 19 -9.119 -5.104 -4.194 1.00 0.00 N ATOM 277 CA PHE A 19 -10.133 -4.926 -5.230 1.00 0.00 C ATOM 278 C PHE A 19 -11.522 -4.308 -4.791 1.00 0.00 C ATOM 279 O PHE A 19 -11.865 -3.313 -5.449 1.00 0.00 O ATOM 280 CB PHE A 19 -10.182 -6.193 -6.119 1.00 0.00 C ATOM 281 CG PHE A 19 -11.086 -6.142 -7.361 1.00 0.00 C ATOM 282 CD1 PHE A 19 -12.419 -6.561 -7.158 1.00 0.00 C ATOM 283 CD2 PHE A 19 -10.630 -5.915 -8.672 1.00 0.00 C ATOM 284 CE1 PHE A 19 -13.216 -6.825 -8.279 1.00 0.00 C ATOM 285 CE2 PHE A 19 -11.496 -6.029 -9.745 1.00 0.00 C ATOM 286 CZ PHE A 19 -12.787 -6.556 -9.552 1.00 0.00 C ATOM 0 H PHE A 19 -8.804 -6.072 -4.130 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.807 -4.094 -5.855 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.167 -6.415 -6.448 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.506 -7.029 -5.499 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.815 -6.675 -6.160 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.597 -5.650 -8.842 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -14.197 -7.253 -8.136 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.182 -5.714 -10.729 1.00 0.00 H new ATOM 0 HZ PHE A 19 -13.432 -6.746 -10.397 1.00 0.00 H new ATOM 296 N GLU A 20 -12.273 -4.857 -3.786 1.00 0.00 N ATOM 297 CA GLU A 20 -13.464 -4.233 -3.093 1.00 0.00 C ATOM 298 C GLU A 20 -13.338 -2.784 -2.572 1.00 0.00 C ATOM 299 O GLU A 20 -14.216 -1.999 -2.926 1.00 0.00 O ATOM 300 CB GLU A 20 -14.123 -5.206 -2.079 1.00 0.00 C ATOM 301 CG GLU A 20 -14.759 -6.506 -2.675 1.00 0.00 C ATOM 302 CD GLU A 20 -16.302 -6.640 -3.021 1.00 0.00 C ATOM 303 OE1 GLU A 20 -16.790 -6.492 -4.145 1.00 0.00 O ATOM 304 OE2 GLU A 20 -17.080 -6.968 -1.929 1.00 0.00 O ATOM 0 H GLU A 20 -12.062 -5.784 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 20 -14.155 -4.075 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.370 -5.499 -1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.898 -4.663 -1.539 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.217 -6.720 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.529 -7.310 -1.976 1.00 0.00 H new ATOM 312 N LYS A 21 -12.398 -2.430 -1.702 1.00 0.00 N ATOM 313 CA LYS A 21 -12.095 -1.034 -1.273 1.00 0.00 C ATOM 314 C LYS A 21 -11.760 -0.062 -2.469 1.00 0.00 C ATOM 315 O LYS A 21 -12.544 0.875 -2.742 1.00 0.00 O ATOM 316 CB LYS A 21 -10.927 -1.000 -0.226 1.00 0.00 C ATOM 317 CG LYS A 21 -11.067 -1.737 1.086 1.00 0.00 C ATOM 318 CD LYS A 21 -12.136 -1.261 2.105 1.00 0.00 C ATOM 319 CE LYS A 21 -12.159 -2.135 3.402 1.00 0.00 C ATOM 320 NZ LYS A 21 -11.175 -1.601 4.355 1.00 0.00 N ATOM 0 H LYS A 21 -11.795 -3.117 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.013 -0.671 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.036 -1.386 -0.721 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.733 0.046 0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.274 -2.782 0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.099 -1.706 1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.940 -0.223 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.119 -1.288 1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.155 -2.126 3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.926 -3.172 3.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.626 -2.385 4.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.533 -0.949 3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.669 -1.091 5.115 1.00 0.00 H new ATOM 333 N GLY A 22 -10.739 -0.408 -3.211 1.00 0.00 N ATOM 334 CA GLY A 22 -10.234 0.318 -4.402 1.00 0.00 C ATOM 335 C GLY A 22 -11.292 0.739 -5.427 1.00 0.00 C ATOM 336 O GLY A 22 -11.853 1.790 -5.320 1.00 0.00 O ATOM 0 H GLY A 22 -10.192 -1.245 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.708 1.211 -4.063 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.500 -0.313 -4.904 1.00 0.00 H new ATOM 340 N LYS A 23 -11.681 -0.196 -6.305 1.00 0.00 N ATOM 341 CA LYS A 23 -12.799 -0.248 -7.176 1.00 0.00 C ATOM 342 C LYS A 23 -14.026 -0.951 -6.417 1.00 0.00 C ATOM 343 O LYS A 23 -14.139 -2.198 -6.327 1.00 0.00 O ATOM 344 CB LYS A 23 -12.438 -0.996 -8.465 1.00 0.00 C ATOM 345 CG LYS A 23 -13.515 -0.860 -9.552 1.00 0.00 C ATOM 346 CD LYS A 23 -13.601 -1.950 -10.671 1.00 0.00 C ATOM 347 CE LYS A 23 -12.326 -2.282 -11.488 1.00 0.00 C ATOM 348 NZ LYS A 23 -12.058 -1.302 -12.527 1.00 0.00 N ATOM 0 H LYS A 23 -11.118 -1.040 -6.412 1.00 0.00 H new ATOM 0 HA LYS A 23 -13.094 0.763 -7.456 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.491 -0.615 -8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.288 -2.052 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.484 -0.822 -9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.370 0.103 -10.041 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.945 -2.874 -10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.373 -1.640 -11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.471 -2.335 -10.814 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.436 -3.267 -11.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.196 -1.570 -13.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.861 -1.268 -13.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.925 -0.365 -12.095 1.00 0.00 H new ATOM 361 N GLY A 24 -14.765 -0.062 -5.752 1.00 0.00 N ATOM 362 CA GLY A 24 -16.087 -0.384 -5.229 1.00 0.00 C ATOM 363 C GLY A 24 -16.597 0.753 -4.206 1.00 0.00 C ATOM 364 O GLY A 24 -17.788 1.039 -4.114 1.00 0.00 O ATOM 0 H GLY A 24 -14.464 0.894 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.794 -0.481 -6.053 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.056 -1.348 -4.721 1.00 0.00 H new ATOM 368 N SER A 25 -15.634 1.393 -3.512 1.00 0.00 N ATOM 369 CA SER A 25 -15.756 2.373 -2.426 1.00 0.00 C ATOM 370 C SER A 25 -15.040 3.709 -2.902 1.00 0.00 C ATOM 371 O SER A 25 -13.879 3.747 -3.241 1.00 0.00 O ATOM 372 CB SER A 25 -15.462 1.829 -1.070 1.00 0.00 C ATOM 373 OG SER A 25 -16.397 0.847 -0.719 1.00 0.00 O ATOM 0 H SER A 25 -14.653 1.214 -3.724 1.00 0.00 H new ATOM 0 HA SER A 25 -16.795 2.646 -2.242 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.458 1.405 -1.052 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.481 2.635 -0.337 1.00 0.00 H new ATOM 0 HG SER A 25 -16.188 0.500 0.173 1.00 0.00 H new ATOM 379 N GLN A 26 -15.782 4.848 -2.715 1.00 0.00 N ATOM 380 CA GLN A 26 -15.247 6.210 -2.802 1.00 0.00 C ATOM 381 C GLN A 26 -14.129 6.483 -1.695 1.00 0.00 C ATOM 382 O GLN A 26 -14.333 7.180 -0.652 1.00 0.00 O ATOM 383 CB GLN A 26 -16.366 7.319 -2.644 1.00 0.00 C ATOM 384 CG GLN A 26 -17.341 7.535 -3.804 1.00 0.00 C ATOM 385 CD GLN A 26 -18.479 6.606 -4.048 1.00 0.00 C ATOM 386 OE1 GLN A 26 -19.681 6.851 -3.723 1.00 0.00 O ATOM 387 NE2 GLN A 26 -18.198 5.451 -4.711 1.00 0.00 N ATOM 0 H GLN A 26 -16.778 4.823 -2.498 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.812 6.278 -3.799 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.952 7.076 -1.758 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -15.868 8.268 -2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.766 8.531 -3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.747 7.555 -4.718 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.237 5.238 -4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.948 4.798 -4.939 1.00 0.00 H new ATOM 396 N LYS A 27 -12.910 5.914 -2.011 1.00 0.00 N ATOM 397 CA LYS A 27 -11.719 5.976 -1.162 1.00 0.00 C ATOM 398 C LYS A 27 -10.422 5.666 -2.058 1.00 0.00 C ATOM 399 O LYS A 27 -10.498 5.052 -3.114 1.00 0.00 O ATOM 400 CB LYS A 27 -11.791 5.066 0.032 1.00 0.00 C ATOM 401 CG LYS A 27 -12.087 3.537 -0.181 1.00 0.00 C ATOM 402 CD LYS A 27 -12.223 2.726 1.135 1.00 0.00 C ATOM 403 CE LYS A 27 -13.411 3.192 2.022 1.00 0.00 C ATOM 404 NZ LYS A 27 -13.312 2.482 3.337 1.00 0.00 N ATOM 0 H LYS A 27 -12.755 5.400 -2.878 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.654 6.983 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.841 5.145 0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.560 5.459 0.697 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.008 3.433 -0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.287 3.104 -0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.351 1.671 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.297 2.812 1.704 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.377 4.272 2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.361 2.966 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.098 2.777 3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.361 1.455 3.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.408 2.720 3.793 1.00 0.00 H new ATOM 417 N LEU A 28 -9.340 6.073 -1.460 1.00 0.00 N ATOM 418 CA LEU A 28 -7.931 5.681 -1.754 1.00 0.00 C ATOM 419 C LEU A 28 -7.437 4.435 -1.024 1.00 0.00 C ATOM 420 O LEU A 28 -7.952 4.145 0.044 1.00 0.00 O ATOM 421 CB LEU A 28 -7.153 7.001 -1.582 1.00 0.00 C ATOM 422 CG LEU A 28 -5.707 7.066 -2.049 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.551 6.989 -3.526 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.976 8.361 -1.444 1.00 0.00 C ATOM 0 H LEU A 28 -9.389 6.740 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.782 5.294 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.705 7.780 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.170 7.258 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.217 6.173 -1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.493 7.042 -3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.966 6.048 -3.887 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.079 7.821 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.943 8.390 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.495 9.260 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.993 8.313 -0.355 1.00 0.00 H new ATOM 436 N ILE A 29 -6.533 3.676 -1.619 1.00 0.00 N ATOM 437 CA ILE A 29 -5.914 2.416 -1.212 1.00 0.00 C ATOM 438 C ILE A 29 -4.386 2.438 -1.664 1.00 0.00 C ATOM 439 O ILE A 29 -3.957 2.724 -2.815 1.00 0.00 O ATOM 440 CB ILE A 29 -6.735 1.108 -1.524 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.543 0.489 -2.919 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.270 1.307 -1.190 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.226 -0.995 -2.988 1.00 0.00 C ATOM 0 H ILE A 29 -6.163 3.966 -2.524 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.934 2.351 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.301 0.365 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.452 0.666 -3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.739 1.029 -3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.813 0.389 -1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.384 1.547 -0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.671 2.122 -1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.117 -1.296 -4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.297 -1.194 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.036 -1.562 -2.530 1.00 0.00 H new ATOM 455 N VAL A 30 -3.556 2.308 -0.648 1.00 0.00 N ATOM 456 CA VAL A 30 -2.124 2.499 -0.664 1.00 0.00 C ATOM 457 C VAL A 30 -1.502 1.166 -0.017 1.00 0.00 C ATOM 458 O VAL A 30 -1.783 0.678 1.065 1.00 0.00 O ATOM 459 CB VAL A 30 -1.699 3.827 0.005 1.00 0.00 C ATOM 460 CG1 VAL A 30 -0.182 4.110 0.219 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.436 5.088 -0.483 1.00 0.00 C ATOM 0 H VAL A 30 -3.893 2.046 0.278 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.731 2.622 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.060 3.595 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.057 5.081 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.247 3.334 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.327 4.113 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.059 5.960 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.267 5.218 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.504 4.981 -0.295 1.00 0.00 H new ATOM 471 N VAL A 31 -0.688 0.549 -0.873 1.00 0.00 N ATOM 472 CA VAL A 31 -0.412 -0.932 -0.737 1.00 0.00 C ATOM 473 C VAL A 31 1.171 -1.228 -1.130 1.00 0.00 C ATOM 474 O VAL A 31 1.610 -1.262 -2.337 1.00 0.00 O ATOM 475 CB VAL A 31 -1.366 -1.846 -1.522 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.481 -1.492 -2.978 1.00 0.00 C ATOM 477 CG2 VAL A 31 -1.088 -3.338 -1.328 1.00 0.00 C ATOM 0 H VAL A 31 -0.211 1.007 -1.650 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.601 -1.188 0.306 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.342 -1.651 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.171 -2.180 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.855 -0.473 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.501 -1.566 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.801 -3.920 -1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.075 -3.566 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.190 -3.593 -0.273 1.00 0.00 H new ATOM 487 N ASP A 32 1.898 -1.570 -0.068 1.00 0.00 N ATOM 488 CA ASP A 32 3.246 -2.124 -0.083 1.00 0.00 C ATOM 489 C ASP A 32 3.345 -3.629 -0.596 1.00 0.00 C ATOM 490 O ASP A 32 2.490 -4.486 -0.278 1.00 0.00 O ATOM 491 CB ASP A 32 3.791 -2.010 1.382 1.00 0.00 C ATOM 492 CG ASP A 32 5.321 -1.803 1.632 1.00 0.00 C ATOM 493 OD1 ASP A 32 5.855 -1.866 2.745 1.00 0.00 O ATOM 494 OD2 ASP A 32 5.948 -1.496 0.454 1.00 0.00 O ATOM 0 H ASP A 32 1.539 -1.460 0.880 1.00 0.00 H new ATOM 0 HA ASP A 32 3.839 -1.557 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.269 -1.180 1.859 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.496 -2.917 1.909 1.00 0.00 H new ATOM 500 N PHE A 33 4.400 -3.925 -1.279 1.00 0.00 N ATOM 501 CA PHE A 33 4.705 -5.196 -1.957 1.00 0.00 C ATOM 502 C PHE A 33 6.207 -5.414 -1.600 1.00 0.00 C ATOM 503 O PHE A 33 7.001 -4.566 -2.058 1.00 0.00 O ATOM 504 CB PHE A 33 4.437 -5.278 -3.421 1.00 0.00 C ATOM 505 CG PHE A 33 2.984 -5.442 -3.756 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.344 -6.667 -3.869 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.182 -4.293 -4.065 1.00 0.00 C ATOM 508 CE1 PHE A 33 0.925 -6.758 -3.991 1.00 0.00 C ATOM 509 CE2 PHE A 33 0.835 -4.355 -4.084 1.00 0.00 C ATOM 510 CZ PHE A 33 0.168 -5.536 -4.019 1.00 0.00 C ATOM 0 H PHE A 33 5.150 -3.245 -1.404 1.00 0.00 H new ATOM 0 HA PHE A 33 4.029 -5.979 -1.614 1.00 0.00 H new ATOM 0 HB2 PHE A 33 4.813 -4.375 -3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.995 -6.117 -3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.933 -7.572 -3.865 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.669 -3.355 -4.288 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.434 -7.717 -4.060 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.270 -3.437 -4.153 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.911 -5.557 -3.989 1.00 0.00 H new ATOM 520 N THR A 34 6.411 -6.295 -0.585 1.00 0.00 N ATOM 521 CA THR A 34 7.664 -6.428 0.113 1.00 0.00 C ATOM 522 C THR A 34 7.681 -7.912 0.388 1.00 0.00 C ATOM 523 O THR A 34 6.726 -8.629 0.724 1.00 0.00 O ATOM 524 CB THR A 34 7.737 -5.478 1.404 1.00 0.00 C ATOM 525 OG1 THR A 34 9.033 -5.529 2.009 1.00 0.00 O ATOM 526 CG2 THR A 34 6.620 -5.688 2.534 1.00 0.00 C ATOM 0 H THR A 34 5.687 -6.927 -0.245 1.00 0.00 H new ATOM 0 HA THR A 34 8.549 -6.103 -0.434 1.00 0.00 H new ATOM 0 HB THR A 34 7.526 -4.494 0.985 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.227 -6.448 2.290 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.788 -4.982 3.347 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.632 -5.519 2.105 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.679 -6.706 2.919 1.00 0.00 H new ATOM 534 N ALA A 35 8.945 -8.417 0.398 1.00 0.00 N ATOM 535 CA ALA A 35 9.322 -9.642 1.172 1.00 0.00 C ATOM 536 C ALA A 35 9.446 -9.248 2.744 1.00 0.00 C ATOM 537 O ALA A 35 10.133 -8.257 3.134 1.00 0.00 O ATOM 538 CB ALA A 35 10.712 -10.019 0.414 1.00 0.00 C ATOM 0 H ALA A 35 9.720 -8.000 -0.118 1.00 0.00 H new ATOM 0 HA ALA A 35 8.632 -10.485 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.139 -10.916 0.862 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.513 -10.201 -0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.416 -9.193 0.513 1.00 0.00 H new ATOM 544 N SER A 36 8.675 -9.945 3.605 1.00 0.00 N ATOM 545 CA SER A 36 8.769 -9.818 5.073 1.00 0.00 C ATOM 546 C SER A 36 10.127 -9.571 5.714 1.00 0.00 C ATOM 547 O SER A 36 10.367 -8.506 6.379 1.00 0.00 O ATOM 548 CB SER A 36 8.058 -11.005 5.773 1.00 0.00 C ATOM 549 OG SER A 36 7.843 -10.821 7.167 1.00 0.00 O ATOM 0 H SER A 36 7.968 -10.614 3.300 1.00 0.00 H new ATOM 0 HA SER A 36 8.259 -8.869 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.096 -11.174 5.288 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.652 -11.907 5.625 1.00 0.00 H new ATOM 0 HG SER A 36 7.390 -11.608 7.535 1.00 0.00 H new ATOM 555 N TRP A 37 11.170 -10.426 5.396 1.00 0.00 N ATOM 556 CA TRP A 37 12.688 -10.203 5.545 1.00 0.00 C ATOM 557 C TRP A 37 13.252 -8.936 4.812 1.00 0.00 C ATOM 558 O TRP A 37 13.603 -8.986 3.609 1.00 0.00 O ATOM 559 CB TRP A 37 13.326 -11.448 5.053 1.00 0.00 C ATOM 560 CG TRP A 37 13.025 -12.054 3.715 1.00 0.00 C ATOM 561 CD1 TRP A 37 11.907 -12.763 3.400 1.00 0.00 C ATOM 562 CD2 TRP A 37 13.855 -12.056 2.578 1.00 0.00 C ATOM 563 NE1 TRP A 37 11.927 -13.177 2.099 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.141 -12.803 1.595 1.00 0.00 C ATOM 565 CE3 TRP A 37 14.925 -11.215 2.247 1.00 0.00 C ATOM 566 CZ2 TRP A 37 13.530 -12.695 0.205 1.00 0.00 C ATOM 567 CZ3 TRP A 37 15.335 -11.216 0.938 1.00 0.00 C ATOM 568 CH2 TRP A 37 14.678 -11.932 -0.038 1.00 0.00 C ATOM 0 H TRP A 37 10.975 -11.347 5.005 1.00 0.00 H new ATOM 0 HA TRP A 37 12.916 -9.997 6.591 1.00 0.00 H new ATOM 0 HB2 TRP A 37 14.402 -11.273 5.077 1.00 0.00 H new ATOM 0 HB3 TRP A 37 13.112 -12.218 5.795 1.00 0.00 H new ATOM 0 HD1 TRP A 37 11.105 -12.972 4.092 1.00 0.00 H new ATOM 0 HE1 TRP A 37 11.184 -13.668 1.602 1.00 0.00 H new ATOM 0 HE3 TRP A 37 15.405 -10.594 2.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.973 -13.170 -0.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 16.203 -10.635 0.663 1.00 0.00 H new ATOM 0 HH2 TRP A 37 15.069 -11.903 -1.044 1.00 0.00 H new ATOM 579 N CYS A 38 13.243 -7.813 5.501 1.00 0.00 N ATOM 580 CA CYS A 38 13.693 -6.492 4.915 1.00 0.00 C ATOM 581 C CYS A 38 13.888 -5.508 6.136 1.00 0.00 C ATOM 582 O CYS A 38 12.869 -4.946 6.547 1.00 0.00 O ATOM 583 CB CYS A 38 12.669 -5.963 3.764 1.00 0.00 C ATOM 584 SG CYS A 38 13.218 -4.331 3.199 1.00 0.00 S ATOM 0 H CYS A 38 12.935 -7.752 6.471 1.00 0.00 H new ATOM 0 HA CYS A 38 14.639 -6.580 4.381 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.646 -6.663 2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.655 -5.904 4.159 1.00 0.00 H new ATOM 0 HG CYS A 38 12.186 -3.626 2.842 1.00 0.00 H new ATOM 590 N PRO A 39 15.121 -5.153 6.593 1.00 0.00 N ATOM 591 CA PRO A 39 15.412 -3.967 7.459 1.00 0.00 C ATOM 592 C PRO A 39 15.002 -2.585 6.940 1.00 0.00 C ATOM 593 O PRO A 39 14.470 -1.882 7.793 1.00 0.00 O ATOM 594 CB PRO A 39 16.939 -4.050 7.875 1.00 0.00 C ATOM 595 CG PRO A 39 17.257 -5.543 7.533 1.00 0.00 C ATOM 596 CD PRO A 39 16.368 -5.840 6.281 1.00 0.00 C ATOM 0 HA PRO A 39 14.751 -4.043 8.322 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.560 -3.355 7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 39 17.092 -3.826 8.931 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.315 -5.686 7.315 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.011 -6.204 8.364 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.820 -5.459 5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.215 -6.910 6.140 1.00 0.00 H new ATOM 604 N PRO A 40 15.131 -2.104 5.619 1.00 0.00 N ATOM 605 CA PRO A 40 14.481 -0.928 5.042 1.00 0.00 C ATOM 606 C PRO A 40 12.935 -0.815 5.256 1.00 0.00 C ATOM 607 O PRO A 40 12.440 0.218 5.683 1.00 0.00 O ATOM 608 CB PRO A 40 14.954 -0.691 3.590 1.00 0.00 C ATOM 609 CG PRO A 40 16.240 -1.498 3.675 1.00 0.00 C ATOM 610 CD PRO A 40 16.068 -2.673 4.654 1.00 0.00 C ATOM 0 HA PRO A 40 14.827 -0.084 5.638 1.00 0.00 H new ATOM 0 HB2 PRO A 40 14.257 -1.073 2.844 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.122 0.361 3.360 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.507 -1.874 2.688 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.058 -0.858 4.004 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.667 -3.561 4.165 1.00 0.00 H new ATOM 0 HD3 PRO A 40 17.011 -2.963 5.118 1.00 0.00 H new ATOM 618 N CYS A 41 12.177 -1.827 4.876 1.00 0.00 N ATOM 619 CA CYS A 41 10.782 -2.028 5.255 1.00 0.00 C ATOM 620 C CYS A 41 10.487 -2.364 6.753 1.00 0.00 C ATOM 621 O CYS A 41 9.307 -2.247 7.129 1.00 0.00 O ATOM 622 CB CYS A 41 9.949 -2.885 4.330 1.00 0.00 C ATOM 623 SG CYS A 41 10.000 -2.243 2.619 1.00 0.00 S ATOM 0 H CYS A 41 12.528 -2.567 4.268 1.00 0.00 H new ATOM 0 HA CYS A 41 10.438 -1.003 5.117 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.317 -3.911 4.348 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.918 -2.910 4.682 1.00 0.00 H new ATOM 0 HG CYS A 41 9.277 -3.001 1.849 1.00 0.00 H new ATOM 629 N LYS A 42 11.426 -2.779 7.586 1.00 0.00 N ATOM 630 CA LYS A 42 11.325 -2.671 9.108 1.00 0.00 C ATOM 631 C LYS A 42 11.134 -1.190 9.640 1.00 0.00 C ATOM 632 O LYS A 42 10.196 -0.893 10.379 1.00 0.00 O ATOM 633 CB LYS A 42 12.360 -3.614 9.797 1.00 0.00 C ATOM 634 CG LYS A 42 11.971 -4.141 11.170 1.00 0.00 C ATOM 635 CD LYS A 42 12.978 -5.070 11.831 1.00 0.00 C ATOM 636 CE LYS A 42 12.719 -5.313 13.328 1.00 0.00 C ATOM 637 NZ LYS A 42 11.425 -5.885 13.833 1.00 0.00 N ATOM 0 H LYS A 42 12.296 -3.206 7.268 1.00 0.00 H new ATOM 0 HA LYS A 42 10.373 -3.077 9.449 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.539 -4.465 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.305 -3.078 9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 42 11.801 -3.291 11.830 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.022 -4.669 11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.968 -6.028 11.311 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.977 -4.651 11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.512 -5.973 13.680 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.855 -4.355 13.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.462 -5.965 14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.640 -5.259 13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.276 -6.827 13.418 1.00 0.00 H new ATOM 650 N MET A 43 12.074 -0.172 9.401 1.00 0.00 N ATOM 651 CA MET A 43 11.761 1.256 9.569 1.00 0.00 C ATOM 652 C MET A 43 10.442 1.824 8.942 1.00 0.00 C ATOM 653 O MET A 43 9.701 2.469 9.672 1.00 0.00 O ATOM 654 CB MET A 43 13.077 2.080 9.301 1.00 0.00 C ATOM 655 CG MET A 43 13.724 2.159 7.875 1.00 0.00 C ATOM 656 SD MET A 43 15.433 2.586 8.145 1.00 0.00 S ATOM 657 CE MET A 43 15.937 3.051 6.486 1.00 0.00 C ATOM 0 H MET A 43 13.031 -0.352 9.097 1.00 0.00 H new ATOM 0 HA MET A 43 11.449 1.385 10.605 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.877 3.105 9.614 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.839 1.684 9.972 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.636 1.207 7.352 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.226 2.908 7.260 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.987 3.344 6.493 1.00 0.00 H new ATOM 0 HE2 MET A 43 15.802 2.204 5.814 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.329 3.888 6.142 1.00 0.00 H new ATOM 667 N ILE A 44 10.229 1.589 7.646 1.00 0.00 N ATOM 668 CA ILE A 44 8.842 1.776 6.968 1.00 0.00 C ATOM 669 C ILE A 44 7.600 1.146 7.686 1.00 0.00 C ATOM 670 O ILE A 44 6.575 1.810 7.659 1.00 0.00 O ATOM 671 CB ILE A 44 8.985 1.589 5.390 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.775 2.840 4.512 1.00 0.00 C ATOM 673 CG2 ILE A 44 8.169 0.332 4.775 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.628 4.080 4.862 1.00 0.00 C ATOM 0 H ILE A 44 10.959 1.271 7.008 1.00 0.00 H new ATOM 0 HA ILE A 44 8.536 2.811 7.121 1.00 0.00 H new ATOM 0 HB ILE A 44 10.050 1.367 5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.978 2.568 3.476 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.724 3.123 4.567 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.328 0.287 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.524 -0.591 5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.105 0.453 4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.389 4.892 4.175 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.412 4.394 5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.685 3.830 4.775 1.00 0.00 H new ATOM 686 N ALA A 45 7.671 0.034 8.409 1.00 0.00 N ATOM 687 CA ALA A 45 6.538 -0.498 9.218 1.00 0.00 C ATOM 688 C ALA A 45 5.905 0.573 10.248 1.00 0.00 C ATOM 689 O ALA A 45 4.773 1.094 10.031 1.00 0.00 O ATOM 690 CB ALA A 45 6.754 -1.955 9.761 1.00 0.00 C ATOM 0 H ALA A 45 8.513 -0.540 8.462 1.00 0.00 H new ATOM 0 HA ALA A 45 5.724 -0.646 8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.881 -2.261 10.338 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.894 -2.638 8.923 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.637 -1.978 10.399 1.00 0.00 H new ATOM 696 N PRO A 46 6.594 1.062 11.348 1.00 0.00 N ATOM 697 CA PRO A 46 6.218 2.332 12.043 1.00 0.00 C ATOM 698 C PRO A 46 6.014 3.684 11.148 1.00 0.00 C ATOM 699 O PRO A 46 5.017 4.322 11.452 1.00 0.00 O ATOM 700 CB PRO A 46 7.312 2.635 13.086 1.00 0.00 C ATOM 701 CG PRO A 46 7.785 1.167 13.351 1.00 0.00 C ATOM 702 CD PRO A 46 7.828 0.530 11.950 1.00 0.00 C ATOM 0 HA PRO A 46 5.225 2.124 12.442 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.105 3.272 12.695 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.922 3.123 13.980 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.764 1.144 13.830 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.095 0.638 14.009 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.717 0.825 11.392 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.826 -0.559 11.994 1.00 0.00 H new ATOM 710 N ILE A 47 6.852 4.013 10.151 1.00 0.00 N ATOM 711 CA ILE A 47 6.572 5.145 9.211 1.00 0.00 C ATOM 712 C ILE A 47 5.155 5.099 8.551 1.00 0.00 C ATOM 713 O ILE A 47 4.341 6.043 8.666 1.00 0.00 O ATOM 714 CB ILE A 47 7.777 5.516 8.279 1.00 0.00 C ATOM 715 CG1 ILE A 47 9.011 5.984 8.957 1.00 0.00 C ATOM 716 CG2 ILE A 47 7.383 6.358 7.041 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.883 7.187 10.067 1.00 0.00 C ATOM 0 H ILE A 47 7.727 3.523 9.964 1.00 0.00 H new ATOM 0 HA ILE A 47 6.492 6.032 9.840 1.00 0.00 H new ATOM 0 HB ILE A 47 8.076 4.544 7.886 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.466 5.125 9.450 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.708 6.315 8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.273 6.572 6.449 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.669 5.801 6.435 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.930 7.294 7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.869 7.415 10.471 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.470 8.077 9.593 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.224 6.868 10.875 1.00 0.00 H new ATOM 729 N PHE A 48 4.849 3.942 7.935 1.00 0.00 N ATOM 730 CA PHE A 48 3.469 3.583 7.398 1.00 0.00 C ATOM 731 C PHE A 48 2.300 3.598 8.437 1.00 0.00 C ATOM 732 O PHE A 48 1.167 3.869 8.122 1.00 0.00 O ATOM 733 CB PHE A 48 3.573 2.263 6.577 1.00 0.00 C ATOM 734 CG PHE A 48 2.659 1.873 5.376 1.00 0.00 C ATOM 735 CD1 PHE A 48 2.133 2.876 4.467 1.00 0.00 C ATOM 736 CD2 PHE A 48 2.361 0.524 5.151 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.457 2.484 3.354 1.00 0.00 C ATOM 738 CE2 PHE A 48 1.620 0.167 4.089 1.00 0.00 C ATOM 739 CZ PHE A 48 1.125 1.135 3.179 1.00 0.00 C ATOM 0 H PHE A 48 5.539 3.207 7.781 1.00 0.00 H new ATOM 0 HA PHE A 48 3.165 4.395 6.737 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.594 2.229 6.197 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.475 1.454 7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.278 3.926 4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.727 -0.230 5.832 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.177 3.212 2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.397 -0.877 3.925 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.495 0.833 2.355 1.00 0.00 H new ATOM 749 N ALA A 49 2.522 3.241 9.705 1.00 0.00 N ATOM 750 CA ALA A 49 1.680 3.379 10.838 1.00 0.00 C ATOM 751 C ALA A 49 1.462 4.721 11.567 1.00 0.00 C ATOM 752 O ALA A 49 0.324 4.924 11.998 1.00 0.00 O ATOM 753 CB ALA A 49 1.877 2.290 11.913 1.00 0.00 C ATOM 0 H ALA A 49 3.405 2.800 9.963 1.00 0.00 H new ATOM 0 HA ALA A 49 0.766 3.274 10.254 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.195 2.471 12.744 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.671 1.311 11.481 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.905 2.318 12.275 1.00 0.00 H new ATOM 759 N GLU A 50 2.443 5.595 11.702 1.00 0.00 N ATOM 760 CA GLU A 50 2.303 7.022 12.032 1.00 0.00 C ATOM 761 C GLU A 50 1.411 7.746 10.950 1.00 0.00 C ATOM 762 O GLU A 50 0.317 8.309 11.231 1.00 0.00 O ATOM 763 CB GLU A 50 3.745 7.624 12.210 1.00 0.00 C ATOM 764 CG GLU A 50 3.974 9.039 12.843 1.00 0.00 C ATOM 765 CD GLU A 50 3.456 10.196 11.993 1.00 0.00 C ATOM 766 OE1 GLU A 50 3.916 10.522 10.872 1.00 0.00 O ATOM 767 OE2 GLU A 50 2.476 10.919 12.609 1.00 0.00 O ATOM 0 H GLU A 50 3.418 5.323 11.579 1.00 0.00 H new ATOM 0 HA GLU A 50 1.775 7.174 12.973 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.312 6.913 12.812 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.204 7.642 11.221 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.486 9.072 13.817 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.041 9.179 13.016 1.00 0.00 H new ATOM 775 N LEU A 51 1.876 7.783 9.666 1.00 0.00 N ATOM 776 CA LEU A 51 1.176 8.254 8.455 1.00 0.00 C ATOM 777 C LEU A 51 -0.314 7.687 8.383 1.00 0.00 C ATOM 778 O LEU A 51 -1.257 8.419 8.147 1.00 0.00 O ATOM 779 CB LEU A 51 2.095 7.884 7.232 1.00 0.00 C ATOM 780 CG LEU A 51 1.617 8.113 5.761 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.971 6.830 5.157 1.00 0.00 C ATOM 782 CD2 LEU A 51 0.629 9.292 5.537 1.00 0.00 C ATOM 0 H LEU A 51 2.818 7.459 9.446 1.00 0.00 H new ATOM 0 HA LEU A 51 1.028 9.334 8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.026 8.438 7.354 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.339 6.826 7.326 1.00 0.00 H new ATOM 0 HG LEU A 51 2.544 8.376 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.652 7.030 4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.701 6.020 5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.108 6.541 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.369 9.353 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.274 9.126 6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.099 10.225 5.849 1.00 0.00 H new ATOM 794 N ALA A 52 -0.563 6.358 8.585 1.00 0.00 N ATOM 795 CA ALA A 52 -1.952 5.825 8.772 1.00 0.00 C ATOM 796 C ALA A 52 -2.861 6.443 9.880 1.00 0.00 C ATOM 797 O ALA A 52 -4.028 6.803 9.624 1.00 0.00 O ATOM 798 CB ALA A 52 -2.041 4.300 8.927 1.00 0.00 C ATOM 0 H ALA A 52 0.166 5.645 8.622 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.351 6.162 7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.083 4.008 9.057 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.638 3.820 8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.465 3.989 9.799 1.00 0.00 H new ATOM 804 N LYS A 53 -2.229 6.578 11.076 1.00 0.00 N ATOM 805 CA LYS A 53 -2.881 7.425 12.149 1.00 0.00 C ATOM 806 C LYS A 53 -3.200 8.923 11.745 1.00 0.00 C ATOM 807 O LYS A 53 -4.259 9.414 12.139 1.00 0.00 O ATOM 808 CB LYS A 53 -2.065 7.341 13.478 1.00 0.00 C ATOM 809 CG LYS A 53 -2.057 5.990 14.205 1.00 0.00 C ATOM 810 CD LYS A 53 -1.386 5.995 15.569 1.00 0.00 C ATOM 811 CE LYS A 53 0.145 5.863 15.553 1.00 0.00 C ATOM 812 NZ LYS A 53 0.648 5.480 16.905 1.00 0.00 N ATOM 0 H LYS A 53 -1.336 6.153 11.326 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.868 6.988 12.297 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.033 7.615 13.260 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.456 8.093 14.164 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.087 5.654 14.325 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.554 5.258 13.573 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.648 6.921 16.080 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.798 5.177 16.160 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.444 5.113 14.821 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.595 6.807 15.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.684 5.395 16.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.378 6.210 17.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.233 4.568 17.185 1.00 0.00 H new ATOM 825 N LYS A 54 -2.410 9.607 10.944 1.00 0.00 N ATOM 826 CA LYS A 54 -2.615 10.905 10.333 1.00 0.00 C ATOM 827 C LYS A 54 -3.777 11.110 9.324 1.00 0.00 C ATOM 828 O LYS A 54 -4.338 12.183 9.143 1.00 0.00 O ATOM 829 CB LYS A 54 -1.217 11.331 9.886 1.00 0.00 C ATOM 830 CG LYS A 54 -1.061 12.812 9.599 1.00 0.00 C ATOM 831 CD LYS A 54 0.283 13.062 8.759 1.00 0.00 C ATOM 832 CE LYS A 54 1.622 12.995 9.457 1.00 0.00 C ATOM 833 NZ LYS A 54 2.752 13.574 8.694 1.00 0.00 N ATOM 0 H LYS A 54 -1.505 9.222 10.675 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.048 11.587 11.065 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.503 11.049 10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.953 10.772 8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.923 13.177 9.041 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.026 13.372 10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.301 12.334 7.948 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.203 14.048 8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.544 13.514 10.412 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.848 11.952 9.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.627 13.484 9.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.859 13.066 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.564 14.579 8.504 1.00 0.00 H new ATOM 846 N PHE A 55 -4.116 10.036 8.622 1.00 0.00 N ATOM 847 CA PHE A 55 -4.835 9.942 7.329 1.00 0.00 C ATOM 848 C PHE A 55 -6.028 8.916 7.308 1.00 0.00 C ATOM 849 O PHE A 55 -5.832 7.770 6.936 1.00 0.00 O ATOM 850 CB PHE A 55 -3.841 9.723 6.193 1.00 0.00 C ATOM 851 CG PHE A 55 -3.279 11.032 5.489 1.00 0.00 C ATOM 852 CD1 PHE A 55 -3.960 11.732 4.509 1.00 0.00 C ATOM 853 CD2 PHE A 55 -2.078 11.558 5.998 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.421 12.990 4.044 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.526 12.705 5.493 1.00 0.00 C ATOM 856 CZ PHE A 55 -2.163 13.395 4.495 1.00 0.00 C ATOM 0 H PHE A 55 -3.876 9.107 8.968 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.331 10.901 7.180 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.997 9.154 6.582 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.320 9.104 5.434 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.880 11.344 4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.579 11.045 6.807 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.983 13.607 3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.586 13.067 5.882 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.688 14.259 4.054 1.00 0.00 H new ATOM 866 N PRO A 56 -7.290 9.389 7.516 1.00 0.00 N ATOM 867 CA PRO A 56 -8.555 8.724 7.445 1.00 0.00 C ATOM 868 C PRO A 56 -9.244 8.152 6.120 1.00 0.00 C ATOM 869 O PRO A 56 -9.955 7.151 6.155 1.00 0.00 O ATOM 870 CB PRO A 56 -9.466 9.595 8.301 1.00 0.00 C ATOM 871 CG PRO A 56 -9.064 10.965 7.978 1.00 0.00 C ATOM 872 CD PRO A 56 -7.605 10.833 7.684 1.00 0.00 C ATOM 0 HA PRO A 56 -8.338 7.707 7.770 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.516 9.423 8.066 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.337 9.382 9.362 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.614 11.354 7.121 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.247 11.645 8.810 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.349 11.385 6.780 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.014 11.258 8.495 1.00 0.00 H new ATOM 880 N ASN A 57 -9.102 8.929 5.019 1.00 0.00 N ATOM 881 CA ASN A 57 -9.621 8.712 3.628 1.00 0.00 C ATOM 882 C ASN A 57 -9.098 7.425 2.816 1.00 0.00 C ATOM 883 O ASN A 57 -9.270 7.336 1.607 1.00 0.00 O ATOM 884 CB ASN A 57 -9.690 10.112 2.895 1.00 0.00 C ATOM 885 CG ASN A 57 -8.355 10.638 2.471 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.756 10.161 1.525 1.00 0.00 O ATOM 887 ND2 ASN A 57 -7.844 11.658 3.166 1.00 0.00 N ATOM 0 H ASN A 57 -8.577 9.802 5.076 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.643 8.338 3.695 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.330 10.021 2.017 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.161 10.837 3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.938 12.049 2.906 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.359 12.046 3.956 1.00 0.00 H new ATOM 894 N VAL A 58 -8.112 6.718 3.456 1.00 0.00 N ATOM 895 CA VAL A 58 -7.164 5.943 2.721 1.00 0.00 C ATOM 896 C VAL A 58 -6.932 4.678 3.701 1.00 0.00 C ATOM 897 O VAL A 58 -6.274 4.750 4.759 1.00 0.00 O ATOM 898 CB VAL A 58 -5.969 6.853 2.289 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.370 7.709 3.386 1.00 0.00 C ATOM 900 CG2 VAL A 58 -4.861 6.105 1.591 1.00 0.00 C ATOM 0 H VAL A 58 -7.988 6.695 4.468 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.446 5.547 1.745 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.450 7.528 1.581 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.550 8.300 2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.134 8.376 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.995 7.068 4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.067 6.801 1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.462 5.340 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.252 5.633 0.690 1.00 0.00 H new ATOM 910 N THR A 59 -7.415 3.519 3.193 1.00 0.00 N ATOM 911 CA THR A 59 -6.978 2.209 3.600 1.00 0.00 C ATOM 912 C THR A 59 -5.582 1.812 3.116 1.00 0.00 C ATOM 913 O THR A 59 -5.168 2.229 2.029 1.00 0.00 O ATOM 914 CB THR A 59 -8.024 1.201 2.983 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.360 1.552 3.322 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.840 -0.220 3.340 1.00 0.00 C ATOM 0 H THR A 59 -8.136 3.494 2.472 1.00 0.00 H new ATOM 0 HA THR A 59 -6.919 2.196 4.688 1.00 0.00 H new ATOM 0 HB THR A 59 -7.837 1.295 1.913 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.979 0.907 2.921 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.614 -0.819 2.860 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.860 -0.556 3.002 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.910 -0.335 4.422 1.00 0.00 H new ATOM 924 N PHE A 60 -4.939 1.011 3.926 1.00 0.00 N ATOM 925 CA PHE A 60 -3.514 0.607 3.819 1.00 0.00 C ATOM 926 C PHE A 60 -3.390 -0.943 4.194 1.00 0.00 C ATOM 927 O PHE A 60 -3.981 -1.559 5.110 1.00 0.00 O ATOM 928 CB PHE A 60 -2.556 1.419 4.754 1.00 0.00 C ATOM 929 CG PHE A 60 -2.513 2.945 4.703 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.749 3.559 3.726 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.218 3.694 5.648 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.828 4.916 3.574 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.316 5.064 5.467 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.557 5.681 4.480 1.00 0.00 C ATOM 0 H PHE A 60 -5.399 0.586 4.731 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.207 0.810 2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.799 1.141 5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.544 1.065 4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.099 2.974 3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.677 3.216 6.501 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.323 5.395 2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.978 5.649 6.089 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.533 6.759 4.416 1.00 0.00 H new ATOM 944 N LEU A 61 -2.545 -1.586 3.337 1.00 0.00 N ATOM 945 CA LEU A 61 -2.345 -3.002 3.366 1.00 0.00 C ATOM 946 C LEU A 61 -0.943 -3.372 2.776 1.00 0.00 C ATOM 947 O LEU A 61 -0.262 -2.539 2.232 1.00 0.00 O ATOM 948 CB LEU A 61 -3.642 -3.811 2.860 1.00 0.00 C ATOM 949 CG LEU A 61 -3.669 -4.068 1.284 1.00 0.00 C ATOM 950 CD1 LEU A 61 -2.985 -5.288 0.757 1.00 0.00 C ATOM 951 CD2 LEU A 61 -5.125 -4.090 0.751 1.00 0.00 C ATOM 0 H LEU A 61 -2.000 -1.106 2.620 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.273 -3.364 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.684 -4.770 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.537 -3.257 3.144 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.084 -3.224 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.090 -5.324 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.927 -5.254 1.019 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.438 -6.177 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.116 -4.267 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.681 -4.887 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.603 -3.132 0.957 1.00 0.00 H new ATOM 963 N LYS A 62 -0.487 -4.559 3.209 1.00 0.00 N ATOM 964 CA LYS A 62 0.974 -4.888 3.096 1.00 0.00 C ATOM 965 C LYS A 62 1.050 -6.474 2.851 1.00 0.00 C ATOM 966 O LYS A 62 0.870 -7.411 3.689 1.00 0.00 O ATOM 967 CB LYS A 62 1.903 -4.447 4.277 1.00 0.00 C ATOM 968 CG LYS A 62 1.758 -4.985 5.690 1.00 0.00 C ATOM 969 CD LYS A 62 3.112 -4.933 6.409 1.00 0.00 C ATOM 970 CE LYS A 62 2.935 -5.150 7.933 1.00 0.00 C ATOM 971 NZ LYS A 62 4.216 -5.157 8.620 1.00 0.00 N ATOM 0 H LYS A 62 -1.066 -5.289 3.625 1.00 0.00 H new ATOM 0 HA LYS A 62 1.378 -4.297 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.924 -4.667 3.966 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.818 -3.363 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.022 -4.397 6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.390 -6.011 5.662 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.774 -5.698 6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.588 -3.970 6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.305 -4.361 8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.420 -6.094 8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.063 -5.304 9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.807 -5.925 8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.695 -4.246 8.470 1.00 0.00 H new ATOM 984 N VAL A 63 1.355 -6.748 1.595 1.00 0.00 N ATOM 985 CA VAL A 63 1.480 -8.104 0.942 1.00 0.00 C ATOM 986 C VAL A 63 2.968 -8.568 1.048 1.00 0.00 C ATOM 987 O VAL A 63 3.904 -8.019 0.471 1.00 0.00 O ATOM 988 CB VAL A 63 1.151 -7.868 -0.521 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.422 -9.240 -1.373 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.411 -7.527 -0.680 1.00 0.00 C ATOM 0 H VAL A 63 1.541 -5.997 0.930 1.00 0.00 H new ATOM 0 HA VAL A 63 0.834 -8.852 1.401 1.00 0.00 H new ATOM 0 HB VAL A 63 1.771 -7.048 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.185 -9.069 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.470 -9.526 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.792 -10.040 -0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.641 -7.359 -1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.005 -8.361 -0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.647 -6.629 -0.109 1.00 0.00 H new ATOM 1000 N ASP A 64 3.106 -9.715 1.748 1.00 0.00 N ATOM 1001 CA ASP A 64 4.186 -10.660 1.553 1.00 0.00 C ATOM 1002 C ASP A 64 4.205 -11.279 0.125 1.00 0.00 C ATOM 1003 O ASP A 64 3.390 -12.074 -0.347 1.00 0.00 O ATOM 1004 CB ASP A 64 4.105 -11.851 2.608 1.00 0.00 C ATOM 1005 CG ASP A 64 5.269 -12.857 2.614 1.00 0.00 C ATOM 1006 OD1 ASP A 64 6.185 -12.920 1.770 1.00 0.00 O ATOM 1007 OD2 ASP A 64 5.021 -13.743 3.627 1.00 0.00 O ATOM 0 H ASP A 64 2.449 -10.000 2.474 1.00 0.00 H new ATOM 0 HA ASP A 64 5.101 -10.085 1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.027 -11.416 3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.182 -12.402 2.427 1.00 0.00 H new ATOM 1013 N VAL A 65 5.155 -10.757 -0.657 1.00 0.00 N ATOM 1014 CA VAL A 65 5.492 -11.138 -2.035 1.00 0.00 C ATOM 1015 C VAL A 65 5.785 -12.657 -2.377 1.00 0.00 C ATOM 1016 O VAL A 65 5.293 -13.169 -3.403 1.00 0.00 O ATOM 1017 CB VAL A 65 6.596 -10.160 -2.596 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.044 -10.521 -2.277 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.311 -9.955 -4.193 1.00 0.00 C ATOM 0 H VAL A 65 5.753 -10.002 -0.320 1.00 0.00 H new ATOM 0 HA VAL A 65 4.546 -11.023 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 65 6.499 -9.214 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.709 -9.777 -2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.184 -10.542 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.274 -11.502 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.059 -9.282 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.365 -10.919 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.318 -9.527 -4.333 1.00 0.00 H new ATOM 1029 N ASP A 66 6.534 -13.397 -1.539 1.00 0.00 N ATOM 1030 CA ASP A 66 6.784 -14.875 -1.676 1.00 0.00 C ATOM 1031 C ASP A 66 5.577 -15.774 -2.127 1.00 0.00 C ATOM 1032 O ASP A 66 5.657 -16.438 -3.108 1.00 0.00 O ATOM 1033 CB ASP A 66 7.630 -15.317 -0.448 1.00 0.00 C ATOM 1034 CG ASP A 66 9.042 -14.605 -0.198 1.00 0.00 C ATOM 1035 OD1 ASP A 66 9.178 -13.589 0.454 1.00 0.00 O ATOM 1036 OD2 ASP A 66 10.071 -15.179 -0.851 1.00 0.00 O ATOM 0 H ASP A 66 6.999 -12.992 -0.726 1.00 0.00 H new ATOM 0 HA ASP A 66 7.374 -15.065 -2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.022 -15.169 0.444 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.810 -16.388 -0.538 1.00 0.00 H new ATOM 1042 N GLU A 67 4.449 -15.585 -1.437 1.00 0.00 N ATOM 1043 CA GLU A 67 3.085 -16.077 -1.768 1.00 0.00 C ATOM 1044 C GLU A 67 2.272 -15.388 -2.949 1.00 0.00 C ATOM 1045 O GLU A 67 1.376 -16.024 -3.521 1.00 0.00 O ATOM 1046 CB GLU A 67 2.239 -16.023 -0.432 1.00 0.00 C ATOM 1047 CG GLU A 67 2.655 -17.102 0.605 1.00 0.00 C ATOM 1048 CD GLU A 67 3.523 -16.589 1.768 1.00 0.00 C ATOM 1049 OE1 GLU A 67 3.108 -15.930 2.663 1.00 0.00 O ATOM 1050 OE2 GLU A 67 4.721 -17.203 1.698 1.00 0.00 O ATOM 0 H GLU A 67 4.452 -15.048 -0.570 1.00 0.00 H new ATOM 0 HA GLU A 67 3.246 -17.076 -2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.347 -15.036 0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.184 -16.149 -0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.753 -17.554 1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.199 -17.891 0.087 1.00 0.00 H new ATOM 1058 N LEU A 68 2.671 -14.181 -3.454 1.00 0.00 N ATOM 1059 CA LEU A 68 1.865 -13.298 -4.354 1.00 0.00 C ATOM 1060 C LEU A 68 2.675 -12.314 -5.290 1.00 0.00 C ATOM 1061 O LEU A 68 2.520 -11.115 -5.350 1.00 0.00 O ATOM 1062 CB LEU A 68 0.831 -12.440 -3.542 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.334 -13.108 -2.829 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -1.094 -11.983 -2.024 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -1.312 -13.947 -3.646 1.00 0.00 C ATOM 0 H LEU A 68 3.587 -13.786 -3.240 1.00 0.00 H new ATOM 0 HA LEU A 68 1.377 -14.019 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.393 -11.885 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.410 -11.707 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 68 0.119 -13.874 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.940 -12.422 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.414 -11.528 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.454 -11.221 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.082 -14.352 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.778 -13.323 -4.409 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.776 -14.767 -4.125 1.00 0.00 H new ATOM 1077 N LYS A 69 3.629 -12.847 -5.987 1.00 0.00 N ATOM 1078 CA LYS A 69 4.520 -12.291 -7.033 1.00 0.00 C ATOM 1079 C LYS A 69 3.842 -12.047 -8.408 1.00 0.00 C ATOM 1080 O LYS A 69 4.049 -10.998 -9.039 1.00 0.00 O ATOM 1081 CB LYS A 69 5.917 -12.937 -7.162 1.00 0.00 C ATOM 1082 CG LYS A 69 5.922 -14.502 -7.347 1.00 0.00 C ATOM 1083 CD LYS A 69 7.360 -15.067 -7.443 1.00 0.00 C ATOM 1084 CE LYS A 69 7.322 -16.575 -7.723 1.00 0.00 C ATOM 1085 NZ LYS A 69 8.677 -17.155 -7.896 1.00 0.00 N ATOM 0 H LYS A 69 3.857 -13.829 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 69 4.727 -11.302 -6.623 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.431 -12.486 -8.011 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.496 -12.691 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.404 -14.968 -6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.368 -14.763 -8.249 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.906 -14.557 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.896 -14.876 -6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.816 -17.081 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.734 -16.760 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.597 -18.175 -8.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.153 -16.693 -8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.232 -17.004 -7.030 1.00 0.00 H new ATOM 1098 N ALA A 70 2.936 -12.962 -8.858 1.00 0.00 N ATOM 1099 CA ALA A 70 2.135 -12.777 -10.100 1.00 0.00 C ATOM 1100 C ALA A 70 1.295 -11.453 -10.090 1.00 0.00 C ATOM 1101 O ALA A 70 1.338 -10.633 -11.028 1.00 0.00 O ATOM 1102 CB ALA A 70 1.298 -14.117 -10.352 1.00 0.00 C ATOM 0 H ALA A 70 2.743 -13.839 -8.374 1.00 0.00 H new ATOM 0 HA ALA A 70 2.790 -12.629 -10.958 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.701 -14.008 -11.258 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.983 -14.957 -10.467 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.639 -14.300 -9.503 1.00 0.00 H new ATOM 1108 N VAL A 71 0.493 -11.250 -9.084 1.00 0.00 N ATOM 1109 CA VAL A 71 -0.203 -10.034 -8.756 1.00 0.00 C ATOM 1110 C VAL A 71 0.706 -8.760 -8.517 1.00 0.00 C ATOM 1111 O VAL A 71 0.467 -7.694 -9.101 1.00 0.00 O ATOM 1112 CB VAL A 71 -1.280 -10.195 -7.702 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.675 -10.546 -6.352 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -2.098 -8.892 -7.535 1.00 0.00 C ATOM 0 H VAL A 71 0.291 -11.993 -8.415 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.726 -9.813 -9.687 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.932 -11.001 -8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.470 -10.656 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.123 -11.483 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.003 -9.752 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.863 -9.038 -6.772 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.434 -8.082 -7.233 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.574 -8.637 -8.482 1.00 0.00 H new ATOM 1124 N ALA A 72 1.755 -8.837 -7.588 1.00 0.00 N ATOM 1125 CA ALA A 72 2.815 -7.791 -7.462 1.00 0.00 C ATOM 1126 C ALA A 72 3.495 -7.220 -8.712 1.00 0.00 C ATOM 1127 O ALA A 72 3.349 -6.044 -8.957 1.00 0.00 O ATOM 1128 CB ALA A 72 3.887 -8.254 -6.458 1.00 0.00 C ATOM 0 H ALA A 72 1.866 -9.613 -6.935 1.00 0.00 H new ATOM 0 HA ALA A 72 2.229 -6.936 -7.125 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.658 -7.488 -6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.426 -8.419 -5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.337 -9.183 -6.809 1.00 0.00 H new ATOM 1134 N GLU A 73 4.005 -8.169 -9.472 1.00 0.00 N ATOM 1135 CA GLU A 73 4.597 -8.027 -10.783 1.00 0.00 C ATOM 1136 C GLU A 73 3.506 -7.374 -11.749 1.00 0.00 C ATOM 1137 O GLU A 73 3.909 -6.325 -12.234 1.00 0.00 O ATOM 1138 CB GLU A 73 5.141 -9.378 -11.387 1.00 0.00 C ATOM 1139 CG GLU A 73 6.433 -9.997 -10.831 1.00 0.00 C ATOM 1140 CD GLU A 73 6.755 -11.411 -11.144 1.00 0.00 C ATOM 1141 OE1 GLU A 73 5.917 -12.327 -11.221 1.00 0.00 O ATOM 1142 OE2 GLU A 73 8.104 -11.518 -11.222 1.00 0.00 O ATOM 0 H GLU A 73 4.015 -9.140 -9.160 1.00 0.00 H new ATOM 0 HA GLU A 73 5.474 -7.387 -10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.352 -10.123 -11.281 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.289 -9.220 -12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.265 -9.387 -11.181 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.401 -9.901 -9.746 1.00 0.00 H new ATOM 1150 N GLU A 74 2.169 -7.845 -11.826 1.00 0.00 N ATOM 1151 CA GLU A 74 1.071 -7.177 -12.549 1.00 0.00 C ATOM 1152 C GLU A 74 0.882 -5.586 -12.357 1.00 0.00 C ATOM 1153 O GLU A 74 0.847 -4.808 -13.273 1.00 0.00 O ATOM 1154 CB GLU A 74 -0.164 -8.074 -12.760 1.00 0.00 C ATOM 1155 CG GLU A 74 -1.360 -7.783 -11.853 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.626 -8.677 -12.083 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -2.614 -9.820 -12.462 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -3.741 -8.010 -11.767 1.00 0.00 O ATOM 0 H GLU A 74 1.872 -8.707 -11.369 1.00 0.00 H new ATOM 0 HA GLU A 74 1.446 -7.071 -13.567 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.486 -7.978 -13.797 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.135 -9.112 -12.614 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.042 -7.897 -10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.647 -6.740 -11.986 1.00 0.00 H new ATOM 1166 N TRP A 75 0.766 -5.085 -11.093 1.00 0.00 N ATOM 1167 CA TRP A 75 0.806 -3.627 -10.797 1.00 0.00 C ATOM 1168 C TRP A 75 2.044 -2.773 -11.253 1.00 0.00 C ATOM 1169 O TRP A 75 1.933 -1.690 -11.817 1.00 0.00 O ATOM 1170 CB TRP A 75 0.401 -3.235 -9.323 1.00 0.00 C ATOM 1171 CG TRP A 75 -0.708 -4.021 -8.602 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.485 -4.898 -7.524 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.050 -4.213 -8.887 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -1.576 -5.717 -7.238 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.499 -5.356 -8.210 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -2.888 -3.556 -9.884 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -3.750 -5.951 -8.435 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.137 -4.158 -10.138 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.551 -5.340 -9.499 1.00 0.00 C ATOM 0 H TRP A 75 0.644 -5.671 -10.267 1.00 0.00 H new ATOM 0 HA TRP A 75 0.019 -3.334 -11.492 1.00 0.00 H new ATOM 0 HB2 TRP A 75 1.299 -3.303 -8.710 1.00 0.00 H new ATOM 0 HB3 TRP A 75 0.102 -2.187 -9.335 1.00 0.00 H new ATOM 0 HD1 TRP A 75 0.442 -4.933 -6.972 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -1.672 -6.411 -6.497 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.570 -2.661 -10.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.098 -6.799 -7.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.802 -3.693 -10.851 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.478 -5.807 -9.798 1.00 0.00 H new ATOM 1190 N ASN A 76 3.201 -3.362 -10.943 1.00 0.00 N ATOM 1191 CA ASN A 76 4.478 -3.261 -11.640 1.00 0.00 C ATOM 1192 C ASN A 76 5.604 -3.261 -10.502 1.00 0.00 C ATOM 1193 O ASN A 76 5.931 -2.308 -9.873 1.00 0.00 O ATOM 1194 CB ASN A 76 4.687 -2.074 -12.536 1.00 0.00 C ATOM 1195 CG ASN A 76 5.928 -2.009 -13.579 1.00 0.00 C ATOM 1196 OD1 ASN A 76 5.678 -2.125 -14.788 1.00 0.00 O ATOM 1197 ND2 ASN A 76 7.178 -1.759 -13.180 1.00 0.00 N ATOM 0 H ASN A 76 3.271 -3.972 -10.129 1.00 0.00 H new ATOM 0 HA ASN A 76 4.517 -4.103 -12.331 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.775 -1.954 -13.121 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.770 -1.200 -11.890 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.924 -1.664 -13.869 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.387 -1.663 -12.186 1.00 0.00 H new ATOM 1204 N VAL A 77 6.062 -4.496 -10.284 1.00 0.00 N ATOM 1205 CA VAL A 77 7.007 -4.870 -9.221 1.00 0.00 C ATOM 1206 C VAL A 77 8.019 -5.993 -9.618 1.00 0.00 C ATOM 1207 O VAL A 77 7.968 -7.127 -9.154 1.00 0.00 O ATOM 1208 CB VAL A 77 6.229 -5.266 -7.861 1.00 0.00 C ATOM 1209 CG1 VAL A 77 7.269 -5.132 -6.751 1.00 0.00 C ATOM 1210 CG2 VAL A 77 5.088 -4.262 -7.372 1.00 0.00 C ATOM 0 H VAL A 77 5.779 -5.290 -10.858 1.00 0.00 H new ATOM 0 HA VAL A 77 7.607 -3.976 -9.051 1.00 0.00 H new ATOM 0 HB VAL A 77 5.776 -6.238 -8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.814 -5.385 -5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.101 -5.809 -6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.636 -4.106 -6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.642 -4.638 -6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.522 -3.279 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.319 -4.182 -8.141 1.00 0.00 H new ATOM 1220 N GLU A 78 8.978 -5.576 -10.383 1.00 0.00 N ATOM 1221 CA GLU A 78 10.295 -6.155 -10.467 1.00 0.00 C ATOM 1222 C GLU A 78 11.179 -6.101 -9.162 1.00 0.00 C ATOM 1223 O GLU A 78 11.888 -7.096 -8.837 1.00 0.00 O ATOM 1224 CB GLU A 78 11.164 -5.568 -11.617 1.00 0.00 C ATOM 1225 CG GLU A 78 11.484 -4.003 -11.788 1.00 0.00 C ATOM 1226 CD GLU A 78 11.651 -3.512 -13.212 1.00 0.00 C ATOM 1227 OE1 GLU A 78 10.767 -3.010 -13.838 1.00 0.00 O ATOM 1228 OE2 GLU A 78 12.869 -3.774 -13.754 1.00 0.00 O ATOM 0 H GLU A 78 8.863 -4.776 -11.005 1.00 0.00 H new ATOM 0 HA GLU A 78 10.033 -7.196 -10.655 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.129 -6.072 -11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.694 -5.887 -12.547 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.680 -3.435 -11.320 1.00 0.00 H new ATOM 0 HG3 GLU A 78 12.397 -3.776 -11.237 1.00 0.00 H new ATOM 1236 N ALA A 79 11.024 -5.122 -8.304 1.00 0.00 N ATOM 1237 CA ALA A 79 12.012 -4.505 -7.308 1.00 0.00 C ATOM 1238 C ALA A 79 11.314 -4.375 -5.971 1.00 0.00 C ATOM 1239 O ALA A 79 10.173 -3.795 -5.869 1.00 0.00 O ATOM 1240 CB ALA A 79 12.551 -3.181 -7.837 1.00 0.00 C ATOM 0 H ALA A 79 10.121 -4.652 -8.240 1.00 0.00 H new ATOM 0 HA ALA A 79 12.884 -5.145 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.251 -2.759 -7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.064 -3.349 -8.784 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.725 -2.487 -7.990 1.00 0.00 H new ATOM 1246 N MET A 80 12.036 -4.802 -4.853 1.00 0.00 N ATOM 1247 CA MET A 80 11.777 -4.502 -3.455 1.00 0.00 C ATOM 1248 C MET A 80 12.334 -3.090 -3.163 1.00 0.00 C ATOM 1249 O MET A 80 13.536 -2.818 -3.319 1.00 0.00 O ATOM 1250 CB MET A 80 12.402 -5.740 -2.763 1.00 0.00 C ATOM 1251 CG MET A 80 11.297 -6.658 -2.086 1.00 0.00 C ATOM 1252 SD MET A 80 10.372 -7.539 -3.393 1.00 0.00 S ATOM 1253 CE MET A 80 8.909 -6.558 -3.831 1.00 0.00 C ATOM 0 H MET A 80 12.856 -5.399 -4.960 1.00 0.00 H new ATOM 0 HA MET A 80 10.752 -4.402 -3.099 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.960 -6.323 -3.496 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.115 -5.412 -2.007 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.765 -7.373 -1.409 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.617 -6.050 -1.488 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.011 -7.156 -3.676 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.866 -5.669 -3.202 1.00 0.00 H new ATOM 0 HE3 MET A 80 8.971 -6.260 -4.878 1.00 0.00 H new ATOM 1263 N PRO A 81 11.461 -2.211 -2.529 1.00 0.00 N ATOM 1264 CA PRO A 81 9.966 -2.407 -2.342 1.00 0.00 C ATOM 1265 C PRO A 81 9.055 -1.117 -2.444 1.00 0.00 C ATOM 1266 O PRO A 81 9.260 0.099 -2.297 1.00 0.00 O ATOM 1267 CB PRO A 81 10.017 -2.801 -0.857 1.00 0.00 C ATOM 1268 CG PRO A 81 11.145 -2.005 -0.251 1.00 0.00 C ATOM 1269 CD PRO A 81 12.090 -1.538 -1.316 1.00 0.00 C ATOM 0 HA PRO A 81 9.540 -3.071 -3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.072 -2.577 -0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.190 -3.871 -0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.744 -1.147 0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.680 -2.617 0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.115 -0.452 -1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.114 -1.867 -1.140 1.00 0.00 H new ATOM 1277 N THR A 82 8.014 -1.522 -3.051 1.00 0.00 N ATOM 1278 CA THR A 82 7.196 -0.738 -3.928 1.00 0.00 C ATOM 1279 C THR A 82 5.759 -0.598 -3.412 1.00 0.00 C ATOM 1280 O THR A 82 5.153 -1.560 -3.033 1.00 0.00 O ATOM 1281 CB THR A 82 7.162 -1.347 -5.455 1.00 0.00 C ATOM 1282 OG1 THR A 82 8.353 -1.803 -6.128 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.412 -0.499 -6.531 1.00 0.00 C ATOM 0 H THR A 82 7.672 -2.478 -2.952 1.00 0.00 H new ATOM 0 HA THR A 82 7.658 0.249 -3.952 1.00 0.00 H new ATOM 0 HB THR A 82 6.620 -2.231 -5.119 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.722 -2.576 -5.652 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.461 -1.007 -7.494 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.369 -0.378 -6.237 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.881 0.481 -6.614 1.00 0.00 H new ATOM 1291 N PHE A 83 5.256 0.607 -3.200 1.00 0.00 N ATOM 1292 CA PHE A 83 3.948 1.103 -2.843 1.00 0.00 C ATOM 1293 C PHE A 83 3.209 1.507 -4.194 1.00 0.00 C ATOM 1294 O PHE A 83 3.766 2.002 -5.194 1.00 0.00 O ATOM 1295 CB PHE A 83 4.170 2.347 -2.048 1.00 0.00 C ATOM 1296 CG PHE A 83 4.933 2.338 -0.700 1.00 0.00 C ATOM 1297 CD1 PHE A 83 6.371 2.384 -0.736 1.00 0.00 C ATOM 1298 CD2 PHE A 83 4.290 2.026 0.477 1.00 0.00 C ATOM 1299 CE1 PHE A 83 7.033 2.323 0.435 1.00 0.00 C ATOM 1300 CE2 PHE A 83 5.051 1.884 1.685 1.00 0.00 C ATOM 1301 CZ PHE A 83 6.360 2.162 1.624 1.00 0.00 C ATOM 0 H PHE A 83 5.887 1.403 -3.296 1.00 0.00 H new ATOM 0 HA PHE A 83 3.365 0.369 -2.287 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.693 3.047 -2.700 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.186 2.772 -1.849 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.902 2.465 -1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.219 1.889 0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.110 2.402 0.441 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.587 1.566 2.607 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.910 2.264 2.548 1.00 0.00 H new ATOM 1311 N ILE A 84 1.959 1.140 -4.218 1.00 0.00 N ATOM 1312 CA ILE A 84 0.988 1.233 -5.330 1.00 0.00 C ATOM 1313 C ILE A 84 -0.291 1.856 -4.753 1.00 0.00 C ATOM 1314 O ILE A 84 -1.042 1.435 -3.776 1.00 0.00 O ATOM 1315 CB ILE A 84 0.750 -0.159 -5.964 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.889 -0.571 -6.894 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.592 -0.396 -6.609 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.815 -1.711 -6.394 1.00 0.00 C ATOM 0 H ILE A 84 1.529 0.725 -3.391 1.00 0.00 H new ATOM 0 HA ILE A 84 1.361 1.860 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 84 0.737 -0.815 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.457 -0.876 -7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.504 0.307 -7.089 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.628 -1.408 -7.013 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.380 -0.274 -5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.740 0.322 -7.415 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.582 -1.911 -7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.289 -1.411 -5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.225 -2.613 -6.229 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.684 2.892 -5.477 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.816 3.831 -5.270 1.00 0.00 C ATOM 1332 C PHE A 85 -2.924 3.373 -6.279 1.00 0.00 C ATOM 1333 O PHE A 85 -2.783 3.431 -7.516 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.242 5.240 -5.496 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.258 5.751 -4.450 1.00 0.00 C ATOM 1336 CD1 PHE A 85 1.035 5.220 -4.389 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -0.694 6.753 -3.555 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.814 5.548 -3.320 1.00 0.00 C ATOM 1339 CE2 PHE A 85 0.074 7.098 -2.484 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.289 6.505 -2.332 1.00 0.00 C ATOM 0 H PHE A 85 -0.170 3.137 -6.323 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.272 3.840 -4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.746 5.254 -6.466 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.074 5.942 -5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.405 4.569 -5.167 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.640 7.248 -3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.796 5.115 -3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.275 7.828 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.885 6.743 -1.463 1.00 0.00 H new ATOM 1350 N LEU A 86 -4.063 2.896 -5.747 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.139 2.201 -6.442 1.00 0.00 C ATOM 1352 C LEU A 86 -6.411 2.879 -5.728 1.00 0.00 C ATOM 1353 O LEU A 86 -6.643 2.825 -4.486 1.00 0.00 O ATOM 1354 CB LEU A 86 -4.838 0.640 -6.274 1.00 0.00 C ATOM 1355 CG LEU A 86 -5.567 -0.406 -7.154 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.023 -0.087 -7.316 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -4.797 -0.693 -8.489 1.00 0.00 C ATOM 0 H LEU A 86 -4.261 2.997 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.282 2.283 -7.520 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.768 0.501 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.044 0.384 -5.235 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.554 -1.359 -6.625 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.495 -0.846 -7.940 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.503 -0.072 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.131 0.889 -7.788 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.345 -1.432 -9.073 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.707 0.229 -9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.803 -1.076 -8.260 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.260 3.418 -6.507 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.368 4.276 -6.166 1.00 0.00 C ATOM 1371 C LYS A 87 -9.696 3.668 -6.772 1.00 0.00 C ATOM 1372 O LYS A 87 -9.729 2.672 -7.567 1.00 0.00 O ATOM 1373 CB LYS A 87 -7.950 5.692 -6.642 1.00 0.00 C ATOM 1374 CG LYS A 87 -8.798 6.839 -6.164 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.238 8.268 -6.311 1.00 0.00 C ATOM 1376 CE LYS A 87 -9.045 9.513 -5.863 1.00 0.00 C ATOM 1377 NZ LYS A 87 -8.312 10.789 -6.286 1.00 0.00 N ATOM 0 H LYS A 87 -7.208 3.265 -7.514 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.595 4.352 -5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.923 5.870 -6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.950 5.699 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.747 6.797 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.018 6.674 -5.109 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.293 8.293 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.004 8.407 -7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.040 9.491 -6.307 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.178 9.501 -4.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.859 11.620 -5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.372 10.812 -5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.207 10.802 -7.321 1.00 0.00 H new ATOM 1390 N ASP A 88 -10.869 4.211 -6.436 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.018 4.287 -7.389 1.00 0.00 C ATOM 1392 C ASP A 88 -11.752 5.055 -8.769 1.00 0.00 C ATOM 1393 O ASP A 88 -12.537 5.821 -9.228 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.225 4.830 -6.565 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.266 6.316 -6.181 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -14.121 7.108 -6.583 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.347 6.619 -5.189 1.00 0.00 O ATOM 0 H ASP A 88 -11.064 4.608 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.224 3.290 -7.779 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.131 4.613 -7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.278 4.252 -5.642 1.00 0.00 H new ATOM 1403 N GLY A 89 -10.657 4.614 -9.458 1.00 0.00 N ATOM 1404 CA GLY A 89 -10.304 5.123 -10.813 1.00 0.00 C ATOM 1405 C GLY A 89 -9.043 4.387 -11.390 1.00 0.00 C ATOM 1406 O GLY A 89 -8.189 5.035 -12.087 1.00 0.00 O ATOM 0 H GLY A 89 -10.010 3.912 -9.097 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.149 4.984 -11.487 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.110 6.194 -10.762 1.00 0.00 H new ATOM 1410 N LYS A 90 -8.967 3.023 -11.191 1.00 0.00 N ATOM 1411 CA LYS A 90 -7.865 2.098 -11.534 1.00 0.00 C ATOM 1412 C LYS A 90 -6.554 2.515 -10.893 1.00 0.00 C ATOM 1413 O LYS A 90 -6.556 3.410 -9.997 1.00 0.00 O ATOM 1414 CB LYS A 90 -7.847 1.757 -13.065 1.00 0.00 C ATOM 1415 CG LYS A 90 -9.020 0.767 -13.403 1.00 0.00 C ATOM 1416 CD LYS A 90 -9.495 0.905 -14.862 1.00 0.00 C ATOM 1417 CE LYS A 90 -10.523 2.062 -15.053 1.00 0.00 C ATOM 1418 NZ LYS A 90 -10.978 2.082 -16.492 1.00 0.00 N ATOM 0 H LYS A 90 -9.741 2.523 -10.753 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.050 1.126 -11.076 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -7.949 2.670 -13.652 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.891 1.309 -13.336 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.692 -0.257 -13.225 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.857 0.955 -12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.633 1.081 -15.505 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.947 -0.034 -15.183 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.377 1.921 -14.390 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.069 3.017 -14.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.664 2.851 -16.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.158 2.235 -17.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.425 1.173 -16.727 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.436 1.943 -11.293 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.037 2.320 -10.920 1.00 0.00 C ATOM 1433 C LEU A 91 -3.716 3.819 -11.302 1.00 0.00 C ATOM 1434 O LEU A 91 -3.249 4.194 -12.389 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.147 1.323 -11.747 1.00 0.00 C ATOM 1436 CG LEU A 91 -1.618 1.355 -11.525 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.261 0.864 -10.068 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -0.848 0.558 -12.596 1.00 0.00 C ATOM 0 H LEU A 91 -5.453 1.147 -11.930 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.862 2.254 -9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.494 0.312 -11.534 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.334 1.508 -12.805 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.296 2.391 -11.628 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.180 0.893 -9.929 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.739 1.516 -9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.617 -0.157 -9.931 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.221 0.614 -12.392 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.168 -0.484 -12.574 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.052 0.980 -13.580 1.00 0.00 H new ATOM 1450 N VAL A 92 -3.793 4.671 -10.242 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.317 6.051 -10.172 1.00 0.00 C ATOM 1452 C VAL A 92 -1.790 6.352 -10.001 1.00 0.00 C ATOM 1453 O VAL A 92 -1.429 7.388 -10.573 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.200 6.846 -9.124 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.641 7.135 -9.506 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.021 6.413 -7.673 1.00 0.00 C ATOM 0 H VAL A 92 -4.220 4.377 -9.364 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.447 6.405 -11.195 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.745 7.834 -9.188 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.128 7.683 -8.700 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.663 7.733 -10.417 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.168 6.196 -9.676 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.666 7.014 -7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.287 5.361 -7.572 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.982 6.554 -7.377 1.00 0.00 H new ATOM 1466 N ASP A 93 -0.870 5.571 -9.273 1.00 0.00 N ATOM 1467 CA ASP A 93 0.529 5.904 -8.972 1.00 0.00 C ATOM 1468 C ASP A 93 1.348 4.682 -8.430 1.00 0.00 C ATOM 1469 O ASP A 93 0.814 3.616 -8.106 1.00 0.00 O ATOM 1470 CB ASP A 93 0.654 7.126 -7.982 1.00 0.00 C ATOM 1471 CG ASP A 93 1.750 8.136 -8.293 1.00 0.00 C ATOM 1472 OD1 ASP A 93 2.927 7.932 -7.980 1.00 0.00 O ATOM 1473 OD2 ASP A 93 1.272 9.281 -8.947 1.00 0.00 O ATOM 0 H ASP A 93 -1.137 4.666 -8.885 1.00 0.00 H new ATOM 0 HA ASP A 93 0.965 6.192 -9.928 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.301 7.652 -7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.822 6.737 -6.978 1.00 0.00 H new ATOM 1479 N LYS A 94 2.717 4.864 -8.424 1.00 0.00 N ATOM 1480 CA LYS A 94 3.692 3.850 -8.033 1.00 0.00 C ATOM 1481 C LYS A 94 5.068 4.463 -7.675 1.00 0.00 C ATOM 1482 O LYS A 94 5.599 5.362 -8.346 1.00 0.00 O ATOM 1483 CB LYS A 94 3.827 2.671 -9.032 1.00 0.00 C ATOM 1484 CG LYS A 94 4.564 2.935 -10.399 1.00 0.00 C ATOM 1485 CD LYS A 94 4.396 1.763 -11.326 1.00 0.00 C ATOM 1486 CE LYS A 94 4.884 1.835 -12.761 1.00 0.00 C ATOM 1487 NZ LYS A 94 3.946 2.555 -13.619 1.00 0.00 N ATOM 0 H LYS A 94 3.151 5.745 -8.700 1.00 0.00 H new ATOM 0 HA LYS A 94 3.281 3.409 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.350 1.861 -8.523 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.824 2.310 -9.259 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.164 3.835 -10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.624 3.114 -10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.893 0.912 -10.860 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.332 1.531 -11.360 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.855 2.329 -12.790 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.028 0.826 -13.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.315 2.582 -14.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.026 2.070 -13.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.828 3.526 -13.266 1.00 0.00 H new ATOM 1500 N THR A 95 5.590 4.054 -6.485 1.00 0.00 N ATOM 1501 CA THR A 95 6.871 4.535 -5.848 1.00 0.00 C ATOM 1502 C THR A 95 7.465 3.332 -4.992 1.00 0.00 C ATOM 1503 O THR A 95 6.856 2.731 -4.111 1.00 0.00 O ATOM 1504 CB THR A 95 6.743 5.758 -4.963 1.00 0.00 C ATOM 1505 OG1 THR A 95 6.269 6.877 -5.668 1.00 0.00 O ATOM 1506 CG2 THR A 95 8.070 6.265 -4.339 1.00 0.00 C ATOM 0 H THR A 95 5.119 3.353 -5.913 1.00 0.00 H new ATOM 0 HA THR A 95 7.524 4.847 -6.664 1.00 0.00 H new ATOM 0 HB THR A 95 6.062 5.401 -4.190 1.00 0.00 H new ATOM 0 HG1 THR A 95 6.629 7.694 -5.265 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.871 7.143 -3.724 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.505 5.480 -3.721 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.768 6.529 -5.133 1.00 0.00 H new ATOM 1514 N VAL A 96 8.811 3.344 -5.163 1.00 0.00 N ATOM 1515 CA VAL A 96 9.609 2.158 -4.800 1.00 0.00 C ATOM 1516 C VAL A 96 10.865 2.738 -4.095 1.00 0.00 C ATOM 1517 O VAL A 96 11.729 3.239 -4.741 1.00 0.00 O ATOM 1518 CB VAL A 96 9.897 1.090 -5.901 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.053 1.687 -7.303 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.924 -0.010 -5.575 1.00 0.00 C ATOM 0 H VAL A 96 9.344 4.130 -5.535 1.00 0.00 H new ATOM 0 HA VAL A 96 9.018 1.513 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 96 8.969 0.519 -5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.251 0.889 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.135 2.205 -7.582 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.884 2.393 -7.308 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.023 -0.680 -6.429 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.890 0.447 -5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.587 -0.576 -4.707 1.00 0.00 H new ATOM 1530 N GLY A 97 10.906 2.582 -2.737 1.00 0.00 N ATOM 1531 CA GLY A 97 12.106 2.855 -1.875 1.00 0.00 C ATOM 1532 C GLY A 97 11.614 2.668 -0.436 1.00 0.00 C ATOM 1533 O GLY A 97 10.907 1.700 -0.042 1.00 0.00 O ATOM 0 H GLY A 97 10.100 2.260 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.921 2.169 -2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.484 3.865 -2.034 1.00 0.00 H new ATOM 1537 N ALA A 98 12.272 3.465 0.398 1.00 0.00 N ATOM 1538 CA ALA A 98 12.040 3.553 1.844 1.00 0.00 C ATOM 1539 C ALA A 98 12.784 4.869 2.416 1.00 0.00 C ATOM 1540 O ALA A 98 14.003 4.887 2.587 1.00 0.00 O ATOM 1541 CB ALA A 98 12.483 2.237 2.512 1.00 0.00 C ATOM 0 H ALA A 98 13.010 4.093 0.079 1.00 0.00 H new ATOM 0 HA ALA A 98 10.981 3.670 2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.312 2.299 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.907 1.408 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.544 2.072 2.322 1.00 0.00 H new ATOM 1547 N ASP A 99 11.993 5.943 2.660 1.00 0.00 N ATOM 1548 CA ASP A 99 12.463 7.297 3.069 1.00 0.00 C ATOM 1549 C ASP A 99 11.284 7.772 3.996 1.00 0.00 C ATOM 1550 O ASP A 99 10.166 7.964 3.561 1.00 0.00 O ATOM 1551 CB ASP A 99 12.664 8.220 1.844 1.00 0.00 C ATOM 1552 CG ASP A 99 13.123 9.616 2.243 1.00 0.00 C ATOM 1553 OD1 ASP A 99 13.746 9.990 3.268 1.00 0.00 O ATOM 1554 OD2 ASP A 99 12.746 10.478 1.222 1.00 0.00 O ATOM 0 H ASP A 99 10.978 5.893 2.576 1.00 0.00 H new ATOM 0 HA ASP A 99 13.434 7.307 3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 99 13.400 7.776 1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.729 8.292 1.289 1.00 0.00 H new ATOM 1560 N LYS A 100 11.652 8.029 5.302 1.00 0.00 N ATOM 1561 CA LYS A 100 10.798 8.555 6.440 1.00 0.00 C ATOM 1562 C LYS A 100 9.868 9.777 6.168 1.00 0.00 C ATOM 1563 O LYS A 100 8.707 9.838 6.578 1.00 0.00 O ATOM 1564 CB LYS A 100 11.704 8.713 7.735 1.00 0.00 C ATOM 1565 CG LYS A 100 12.782 9.800 7.783 1.00 0.00 C ATOM 1566 CD LYS A 100 13.461 9.906 9.128 1.00 0.00 C ATOM 1567 CE LYS A 100 14.491 11.007 9.266 1.00 0.00 C ATOM 1568 NZ LYS A 100 15.242 10.837 10.500 1.00 0.00 N ATOM 0 H LYS A 100 12.611 7.865 5.609 1.00 0.00 H new ATOM 0 HA LYS A 100 10.035 7.793 6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 100 11.036 8.880 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 100 12.199 7.757 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.532 9.593 7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.331 10.761 7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.695 10.055 9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.945 8.954 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.169 10.990 8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.998 11.979 9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.946 11.597 10.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 14.591 10.875 11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.726 9.917 10.488 1.00 0.00 H new ATOM 1581 N ASP A 101 10.417 10.704 5.392 1.00 0.00 N ATOM 1582 CA ASP A 101 9.792 11.940 4.766 1.00 0.00 C ATOM 1583 C ASP A 101 9.040 11.692 3.448 1.00 0.00 C ATOM 1584 O ASP A 101 7.867 12.081 3.337 1.00 0.00 O ATOM 1585 CB ASP A 101 10.787 13.205 4.680 1.00 0.00 C ATOM 1586 CG ASP A 101 12.073 12.900 3.994 1.00 0.00 C ATOM 1587 OD1 ASP A 101 12.214 12.893 2.748 1.00 0.00 O ATOM 1588 OD2 ASP A 101 13.114 12.630 4.844 1.00 0.00 O ATOM 0 H ASP A 101 11.403 10.635 5.141 1.00 0.00 H new ATOM 0 HA ASP A 101 9.017 12.212 5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.286 14.017 4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.997 13.562 5.688 1.00 0.00 H new ATOM 1594 N GLY A 102 9.633 10.929 2.473 1.00 0.00 N ATOM 1595 CA GLY A 102 9.103 10.580 1.181 1.00 0.00 C ATOM 1596 C GLY A 102 7.604 10.110 1.021 1.00 0.00 C ATOM 1597 O GLY A 102 6.781 10.696 0.325 1.00 0.00 O ATOM 0 H GLY A 102 10.561 10.530 2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.237 11.448 0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.732 9.785 0.781 1.00 0.00 H new ATOM 1601 N LEU A 103 7.218 9.151 1.846 1.00 0.00 N ATOM 1602 CA LEU A 103 5.941 8.442 1.937 1.00 0.00 C ATOM 1603 C LEU A 103 4.859 9.426 2.536 1.00 0.00 C ATOM 1604 O LEU A 103 3.856 9.663 1.824 1.00 0.00 O ATOM 1605 CB LEU A 103 6.194 7.104 2.684 1.00 0.00 C ATOM 1606 CG LEU A 103 5.012 6.113 2.834 1.00 0.00 C ATOM 1607 CD1 LEU A 103 4.497 5.640 1.454 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.328 4.955 3.780 1.00 0.00 C ATOM 0 H LEU A 103 7.866 8.806 2.554 1.00 0.00 H new ATOM 0 HA LEU A 103 5.519 8.146 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.002 6.583 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.556 7.344 3.684 1.00 0.00 H new ATOM 0 HG LEU A 103 4.195 6.657 3.308 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.668 4.946 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.157 6.501 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.303 5.140 0.917 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.464 4.293 3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.184 4.397 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.562 5.347 4.770 1.00 0.00 H new ATOM 1620 N PRO A 104 4.922 10.012 3.751 1.00 0.00 N ATOM 1621 CA PRO A 104 4.057 11.138 4.144 1.00 0.00 C ATOM 1622 C PRO A 104 3.834 12.309 3.135 1.00 0.00 C ATOM 1623 O PRO A 104 2.683 12.694 2.945 1.00 0.00 O ATOM 1624 CB PRO A 104 4.618 11.631 5.445 1.00 0.00 C ATOM 1625 CG PRO A 104 5.377 10.451 6.066 1.00 0.00 C ATOM 1626 CD PRO A 104 5.843 9.661 4.805 1.00 0.00 C ATOM 0 HA PRO A 104 3.041 10.748 4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.284 12.479 5.284 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.822 11.972 6.107 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.219 10.783 6.673 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.737 9.849 6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.865 9.926 4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.831 8.587 4.991 1.00 0.00 H new ATOM 1634 N THR A 105 4.908 12.747 2.458 1.00 0.00 N ATOM 1635 CA THR A 105 4.803 13.734 1.308 1.00 0.00 C ATOM 1636 C THR A 105 3.918 13.255 0.046 1.00 0.00 C ATOM 1637 O THR A 105 2.873 13.838 -0.265 1.00 0.00 O ATOM 1638 CB THR A 105 6.244 14.236 0.849 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.922 14.647 2.032 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.302 15.495 0.022 1.00 0.00 C ATOM 0 H THR A 105 5.862 12.452 2.665 1.00 0.00 H new ATOM 0 HA THR A 105 4.240 14.570 1.722 1.00 0.00 H new ATOM 0 HB THR A 105 6.643 13.407 0.265 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.269 13.859 2.500 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.340 15.723 -0.221 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.736 15.352 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.872 16.322 0.587 1.00 0.00 H new ATOM 1648 N LEU A 106 4.319 12.196 -0.591 1.00 0.00 N ATOM 1649 CA LEU A 106 3.503 11.476 -1.687 1.00 0.00 C ATOM 1650 C LEU A 106 1.928 11.320 -1.360 1.00 0.00 C ATOM 1651 O LEU A 106 1.052 11.792 -2.107 1.00 0.00 O ATOM 1652 CB LEU A 106 4.178 10.180 -2.044 1.00 0.00 C ATOM 1653 CG LEU A 106 3.549 9.207 -3.067 1.00 0.00 C ATOM 1654 CD1 LEU A 106 3.339 9.863 -4.402 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.410 7.905 -3.215 1.00 0.00 C ATOM 0 H LEU A 106 5.221 11.755 -0.409 1.00 0.00 H new ATOM 0 HA LEU A 106 3.500 12.118 -2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.173 10.430 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.312 9.624 -1.116 1.00 0.00 H new ATOM 0 HG LEU A 106 2.569 8.924 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.895 9.147 -5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.672 10.717 -4.287 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.297 10.202 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.942 7.240 -3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.411 8.168 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.476 7.401 -2.251 1.00 0.00 H new ATOM 1667 N VAL A 107 1.609 10.654 -0.261 1.00 0.00 N ATOM 1668 CA VAL A 107 0.208 10.543 0.243 1.00 0.00 C ATOM 1669 C VAL A 107 -0.540 11.895 0.483 1.00 0.00 C ATOM 1670 O VAL A 107 -1.738 11.983 0.097 1.00 0.00 O ATOM 1671 CB VAL A 107 0.089 9.545 1.454 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -1.364 9.513 2.053 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.334 8.136 0.986 1.00 0.00 C ATOM 0 H VAL A 107 2.294 10.170 0.319 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.341 10.108 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 107 0.814 9.886 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.399 8.811 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.634 10.508 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.068 9.198 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.250 7.452 1.831 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.404 7.871 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.334 8.063 0.559 1.00 0.00 H new ATOM 1683 N ALA A 108 0.079 12.898 1.172 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.443 14.262 1.227 1.00 0.00 C ATOM 1685 C ALA A 108 -0.883 14.851 -0.159 1.00 0.00 C ATOM 1686 O ALA A 108 -2.024 15.238 -0.365 1.00 0.00 O ATOM 1687 CB ALA A 108 0.493 15.228 1.951 1.00 0.00 C ATOM 0 H ALA A 108 0.945 12.767 1.694 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.354 14.164 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.052 16.225 1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.644 14.889 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.452 15.261 1.435 1.00 0.00 H new ATOM 1693 N LYS A 109 -0.055 14.705 -1.170 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.327 15.034 -2.561 1.00 0.00 C ATOM 1695 C LYS A 109 -1.610 14.266 -3.213 1.00 0.00 C ATOM 1696 O LYS A 109 -2.403 14.898 -3.897 1.00 0.00 O ATOM 1697 CB LYS A 109 0.829 14.821 -3.637 1.00 0.00 C ATOM 1698 CG LYS A 109 2.193 15.320 -3.270 1.00 0.00 C ATOM 1699 CD LYS A 109 3.325 14.903 -4.190 1.00 0.00 C ATOM 1700 CE LYS A 109 4.754 15.286 -3.664 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.706 15.115 -4.724 1.00 0.00 N ATOM 0 H LYS A 109 0.885 14.331 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.489 16.101 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.903 13.754 -3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.526 15.310 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.162 16.409 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.425 14.975 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.281 13.824 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.174 15.364 -5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.762 16.318 -3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.022 14.659 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.655 15.367 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.703 14.123 -5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.451 15.731 -5.522 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.721 12.945 -2.976 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.827 12.006 -3.410 1.00 0.00 C ATOM 1716 C HIS A 110 -4.274 12.121 -2.753 1.00 0.00 C ATOM 1717 O HIS A 110 -5.334 12.072 -3.440 1.00 0.00 O ATOM 1718 CB HIS A 110 -2.311 10.522 -3.382 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.808 10.016 -4.677 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -2.769 9.564 -5.616 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.581 10.270 -5.386 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -2.095 9.737 -6.823 1.00 0.00 C ATOM 1723 NE2 HIS A 110 -0.800 10.136 -6.799 1.00 0.00 N ATOM 0 H HIS A 110 -1.005 12.452 -2.443 1.00 0.00 H new ATOM 0 HA HIS A 110 -3.039 12.361 -4.419 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.514 10.443 -2.643 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -3.122 9.876 -3.046 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.362 10.523 -4.925 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -2.596 9.556 -7.762 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -0.156 10.297 -7.574 1.00 0.00 H new ATOM 1731 N ALA A 111 -4.303 12.053 -1.456 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.489 12.385 -0.604 1.00 0.00 C ATOM 1733 C ALA A 111 -6.166 13.781 -0.620 1.00 0.00 C ATOM 1734 O ALA A 111 -7.391 13.943 -0.780 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.992 11.959 0.793 1.00 0.00 C ATOM 0 H ALA A 111 -3.494 11.759 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.355 11.871 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.772 12.149 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.751 10.896 0.785 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.101 12.531 1.052 1.00 0.00 H new