USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1033 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 100 MET CE :methyl -158:sc= -0.522 (180deg=0) USER MOD Set 1.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 108 SER OG : rot 79:sc= 0.771 USER MOD Set 2.1: A 81 ASN : amide:sc= -1.87! C(o=-2!,f=-6.2!) USER MOD Set 2.2: A 82 CYS SG : rot 85:sc= -0.151 USER MOD Set 3.1: A 59 ASN : amide:sc= 1.05 K(o=3.1,f=-7.1!) USER MOD Set 3.2: A 75 LYS NZ :NH3+ 154:sc= 2.07 (180deg=0.44) USER MOD Set 4.1: A 56 THR OG1 : rot -114:sc= 0.998 USER MOD Set 4.2: A 110 THR OG1 : rot -105:sc= 1.17 USER MOD Set 5.1: A 28 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.08) USER MOD Set 5.2: A 67 SER OG : rot 2:sc= 0.629 USER MOD Set 6.1: A 9 GLN : amide:sc= -0.0908 X(o=0.36,f=0.4) USER MOD Set 6.2: A 11 GLN : amide:sc= 0.449 X(o=0.36,f=0.4) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.1) USER MOD Single : A 16 HIS : no HD1:sc= -0.858 K(o=-0.86,f=-1.7) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0.52 (180deg=-0.238) USER MOD Single : A 29 THR OG1 : rot 52:sc= 0.497 USER MOD Single : A 32 SER OG : rot 73:sc= 1.11 USER MOD Single : A 33 GLN : amide:sc= -0.0895 X(o=-0.09,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 99:sc= 1.33 USER MOD Single : A 51 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 54 THR OG1 : rot 9:sc= 1.26 USER MOD Single : A 60 THR OG1 : rot 82:sc= 1.02 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 76 SER OG : rot 57:sc= 0.309 USER MOD Single : A 85 THR OG1 : rot 96:sc= 1.24 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0.115 K(o=0.11,f=-0.94) USER MOD Single : A 90 GLN : amide:sc= -2.75! C(o=-2.8!,f=-6.6!) USER MOD Single : A 91 GLN : amide:sc= 0.0498 X(o=0.05,f=-0.39) USER MOD Single : A 94 ASN : amide:sc= -0.59 X(o=-0.59,f=-0.86) USER MOD Single : A 102 THR OG1 : rot -22:sc= 1.74 USER MOD Single : A 104 SER OG : rot 36:sc= 0.165 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 6:sc= 1.04 USER MOD Single : A 113 GLN : amide:sc= -8.32! K(o=-8.3!,f=-3.8) USER MOD Single : A 114 MET CE :methyl 150:sc= -1.41 (180deg=-3.01!) USER MOD Single : A 115 GLN : amide:sc= 1.23 K(o=1.2,f=-2.6!) USER MOD Single : A 116 TYR OH : rot 35:sc= 0.789 USER MOD Single : A 123 GLN : amide:sc= -0.986 X(o=-0.99,f=-0.66) USER MOD Single : A 125 GLN : amide:sc= -0.882 X(o=-0.88,f=-1) USER MOD Single : A 129 THR OG1 : rot -120:sc= -0.0473 USER MOD Single : A 130 LYS NZ :NH3+ -132:sc= 0.65 (180deg=-0.298) USER MOD Single : A 134 LYS NZ :NH3+ 172:sc= 1.64 (180deg=1.42) USER MOD Single : A 138 LYS NZ :NH3+ 167:sc= 1.68 (180deg=1.51) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 3.087 9.092 2.624 1.00 0.00 N ATOM 2 CA PRO A 1 3.751 9.045 1.336 1.00 0.00 C ATOM 3 C PRO A 1 5.241 9.218 1.551 1.00 0.00 C ATOM 4 O PRO A 1 5.644 9.803 2.540 1.00 0.00 O ATOM 5 CB PRO A 1 3.200 10.163 0.461 1.00 0.00 C ATOM 6 CG PRO A 1 2.307 10.928 1.384 1.00 0.00 C ATOM 7 CD PRO A 1 1.951 9.994 2.539 1.00 0.00 C ATOM 0 H2 PRO A 1 3.736 9.410 3.343 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.776 8.159 2.894 1.00 0.00 H new ATOM 0 HA PRO A 1 3.574 8.090 0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.998 10.791 0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.650 9.769 -0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 1 2.809 11.823 1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 1 1.408 11.258 0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.808 10.545 3.469 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.025 9.453 2.344 1.00 0.00 H new ATOM 17 N VAL A 2 6.040 8.632 0.692 1.00 0.00 N ATOM 18 CA VAL A 2 7.491 8.758 0.723 1.00 0.00 C ATOM 19 C VAL A 2 7.968 9.429 -0.549 1.00 0.00 C ATOM 20 O VAL A 2 7.490 9.117 -1.625 1.00 0.00 O ATOM 21 CB VAL A 2 8.183 7.362 0.858 1.00 0.00 C ATOM 22 CG1 VAL A 2 9.709 7.462 0.794 1.00 0.00 C ATOM 23 CG2 VAL A 2 7.777 6.703 2.158 1.00 0.00 C ATOM 0 H VAL A 2 5.700 8.041 -0.066 1.00 0.00 H new ATOM 0 HA VAL A 2 7.759 9.359 1.592 1.00 0.00 H new ATOM 0 HB VAL A 2 7.852 6.758 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.143 6.467 0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.006 7.895 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.066 8.096 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.265 5.732 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.078 7.333 2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.695 6.569 2.176 1.00 0.00 H new ATOM 33 N THR A 3 8.847 10.361 -0.428 1.00 0.00 N ATOM 34 CA THR A 3 9.430 10.987 -1.572 1.00 0.00 C ATOM 35 C THR A 3 10.929 10.721 -1.529 1.00 0.00 C ATOM 36 O THR A 3 11.549 10.812 -0.441 1.00 0.00 O ATOM 37 CB THR A 3 9.143 12.530 -1.597 1.00 0.00 C ATOM 38 OG1 THR A 3 9.751 13.140 -2.738 1.00 0.00 O ATOM 39 CG2 THR A 3 9.637 13.216 -0.334 1.00 0.00 C ATOM 0 H THR A 3 9.186 10.715 0.467 1.00 0.00 H new ATOM 0 HA THR A 3 8.991 10.574 -2.480 1.00 0.00 H new ATOM 0 HB THR A 3 8.061 12.652 -1.654 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.559 14.101 -2.736 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.420 14.283 -0.390 1.00 0.00 H new ATOM 0 HG22 THR A 3 9.133 12.788 0.533 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.713 13.070 -0.237 1.00 0.00 H new ATOM 47 N GLU A 4 11.522 10.339 -2.642 1.00 0.00 N ATOM 48 CA GLU A 4 12.936 10.133 -2.620 1.00 0.00 C ATOM 49 C GLU A 4 13.640 11.286 -3.250 1.00 0.00 C ATOM 50 O GLU A 4 13.153 11.919 -4.197 1.00 0.00 O ATOM 51 CB GLU A 4 13.412 8.757 -3.138 1.00 0.00 C ATOM 52 CG GLU A 4 13.798 8.640 -4.584 1.00 0.00 C ATOM 53 CD GLU A 4 14.308 7.259 -4.908 1.00 0.00 C ATOM 54 OE1 GLU A 4 15.327 6.820 -4.307 1.00 0.00 O ATOM 55 OE2 GLU A 4 13.689 6.574 -5.747 1.00 0.00 O ATOM 0 H GLU A 4 11.060 10.173 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 4 13.220 10.096 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.270 8.454 -2.538 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.618 8.036 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.936 8.868 -5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.566 9.377 -4.818 1.00 0.00 H new ATOM 62 N THR A 5 14.757 11.535 -2.746 1.00 0.00 N ATOM 63 CA THR A 5 15.482 12.690 -3.017 1.00 0.00 C ATOM 64 C THR A 5 16.933 12.306 -3.261 1.00 0.00 C ATOM 65 O THR A 5 17.456 11.399 -2.622 1.00 0.00 O ATOM 66 CB THR A 5 15.335 13.638 -1.774 1.00 0.00 C ATOM 67 OG1 THR A 5 16.170 14.793 -1.888 1.00 0.00 O ATOM 68 CG2 THR A 5 15.635 12.875 -0.457 1.00 0.00 C ATOM 0 H THR A 5 15.224 10.905 -2.093 1.00 0.00 H new ATOM 0 HA THR A 5 15.117 13.206 -3.905 1.00 0.00 H new ATOM 0 HB THR A 5 14.300 13.980 -1.747 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.052 15.361 -1.098 1.00 0.00 H new ATOM 0 HG21 THR A 5 15.526 13.553 0.389 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.936 12.046 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.654 12.489 -0.484 1.00 0.00 H new ATOM 76 N VAL A 6 17.554 12.920 -4.221 1.00 0.00 N ATOM 77 CA VAL A 6 18.941 12.663 -4.475 1.00 0.00 C ATOM 78 C VAL A 6 19.746 13.891 -4.159 1.00 0.00 C ATOM 79 O VAL A 6 19.275 15.008 -4.340 1.00 0.00 O ATOM 80 CB VAL A 6 19.218 12.195 -5.927 1.00 0.00 C ATOM 81 CG1 VAL A 6 18.470 10.913 -6.207 1.00 0.00 C ATOM 82 CG2 VAL A 6 18.854 13.258 -6.941 1.00 0.00 C ATOM 0 H VAL A 6 17.123 13.604 -4.843 1.00 0.00 H new ATOM 0 HA VAL A 6 19.240 11.840 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 6 20.288 12.013 -6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 6 18.670 10.591 -7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 6 18.799 10.140 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 6 17.400 11.081 -6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 6 19.063 12.890 -7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 6 17.793 13.495 -6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 6 19.443 14.156 -6.754 1.00 0.00 H new ATOM 92 N ASP A 7 20.920 13.688 -3.642 1.00 0.00 N ATOM 93 CA ASP A 7 21.833 14.785 -3.331 1.00 0.00 C ATOM 94 C ASP A 7 22.770 14.956 -4.497 1.00 0.00 C ATOM 95 O ASP A 7 23.013 13.983 -5.224 1.00 0.00 O ATOM 96 CB ASP A 7 22.619 14.495 -2.041 1.00 0.00 C ATOM 97 CG ASP A 7 23.622 15.569 -1.687 1.00 0.00 C ATOM 98 OD1 ASP A 7 24.777 15.478 -2.142 1.00 0.00 O ATOM 99 OD2 ASP A 7 23.284 16.519 -0.967 1.00 0.00 O ATOM 0 H ASP A 7 21.287 12.763 -3.418 1.00 0.00 H new ATOM 0 HA ASP A 7 21.268 15.703 -3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 7 21.916 14.380 -1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 7 23.141 13.544 -2.150 1.00 0.00 H new ATOM 104 N GLY A 8 23.306 16.162 -4.666 1.00 0.00 N ATOM 105 CA GLY A 8 24.186 16.506 -5.782 1.00 0.00 C ATOM 106 C GLY A 8 25.447 15.650 -5.894 1.00 0.00 C ATOM 107 O GLY A 8 26.144 15.704 -6.915 1.00 0.00 O ATOM 0 H GLY A 8 23.140 16.938 -4.025 1.00 0.00 H new ATOM 0 HA2 GLY A 8 23.622 16.419 -6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 8 24.481 17.551 -5.684 1.00 0.00 H new ATOM 111 N GLN A 9 25.773 14.878 -4.849 1.00 0.00 N ATOM 112 CA GLN A 9 26.916 13.969 -4.922 1.00 0.00 C ATOM 113 C GLN A 9 26.532 12.615 -5.562 1.00 0.00 C ATOM 114 O GLN A 9 27.381 11.721 -5.721 1.00 0.00 O ATOM 115 CB GLN A 9 27.569 13.760 -3.555 1.00 0.00 C ATOM 116 CG GLN A 9 26.715 13.024 -2.516 1.00 0.00 C ATOM 117 CD GLN A 9 27.403 12.969 -1.170 1.00 0.00 C ATOM 118 OE1 GLN A 9 28.156 13.861 -0.820 1.00 0.00 O ATOM 119 NE2 GLN A 9 27.151 11.942 -0.404 1.00 0.00 N ATOM 0 H GLN A 9 25.271 14.866 -3.961 1.00 0.00 H new ATOM 0 HA GLN A 9 27.652 14.446 -5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 9 28.496 13.204 -3.697 1.00 0.00 H new ATOM 0 HB3 GLN A 9 27.841 14.735 -3.150 1.00 0.00 H new ATOM 0 HG2 GLN A 9 25.753 13.526 -2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 9 26.511 12.011 -2.863 1.00 0.00 H new ATOM 0 HE21 GLN A 9 26.516 11.211 -0.724 1.00 0.00 H new ATOM 0 HE22 GLN A 9 27.589 11.871 0.514 1.00 0.00 H new ATOM 128 N GLY A 10 25.263 12.465 -5.902 1.00 0.00 N ATOM 129 CA GLY A 10 24.800 11.260 -6.579 1.00 0.00 C ATOM 130 C GLY A 10 24.147 10.251 -5.654 1.00 0.00 C ATOM 131 O GLY A 10 23.823 9.138 -6.081 1.00 0.00 O ATOM 0 H GLY A 10 24.536 13.158 -5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 10 24.088 11.541 -7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 10 25.646 10.787 -7.078 1.00 0.00 H new ATOM 135 N GLN A 11 23.944 10.614 -4.398 1.00 0.00 N ATOM 136 CA GLN A 11 23.335 9.670 -3.457 1.00 0.00 C ATOM 137 C GLN A 11 21.820 9.772 -3.473 1.00 0.00 C ATOM 138 O GLN A 11 21.274 10.876 -3.594 1.00 0.00 O ATOM 139 CB GLN A 11 23.824 9.867 -2.020 1.00 0.00 C ATOM 140 CG GLN A 11 23.438 11.191 -1.392 1.00 0.00 C ATOM 141 CD GLN A 11 23.531 11.148 0.106 1.00 0.00 C ATOM 142 OE1 GLN A 11 24.548 11.479 0.696 1.00 0.00 O ATOM 143 NE2 GLN A 11 22.481 10.705 0.723 1.00 0.00 N ATOM 0 H GLN A 11 24.181 11.526 -4.008 1.00 0.00 H new ATOM 0 HA GLN A 11 23.644 8.681 -3.794 1.00 0.00 H new ATOM 0 HB2 GLN A 11 23.429 9.060 -1.403 1.00 0.00 H new ATOM 0 HB3 GLN A 11 24.910 9.777 -2.005 1.00 0.00 H new ATOM 0 HG2 GLN A 11 24.089 11.977 -1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 11 22.420 11.449 -1.685 1.00 0.00 H new ATOM 0 HE21 GLN A 11 21.652 10.439 0.192 1.00 0.00 H new ATOM 0 HE22 GLN A 11 22.484 10.622 1.740 1.00 0.00 H new ATOM 152 N ALA A 12 21.150 8.646 -3.353 1.00 0.00 N ATOM 153 CA ALA A 12 19.714 8.617 -3.275 1.00 0.00 C ATOM 154 C ALA A 12 19.283 8.273 -1.860 1.00 0.00 C ATOM 155 O ALA A 12 19.848 7.386 -1.206 1.00 0.00 O ATOM 156 CB ALA A 12 19.140 7.630 -4.259 1.00 0.00 C ATOM 0 H ALA A 12 21.590 7.727 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 12 19.331 9.605 -3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 12 18.053 7.627 -4.180 1.00 0.00 H new ATOM 0 HB2 ALA A 12 19.429 7.915 -5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 12 19.522 6.633 -4.039 1.00 0.00 H new ATOM 162 N TRP A 13 18.336 9.002 -1.394 1.00 0.00 N ATOM 163 CA TRP A 13 17.814 8.903 -0.061 1.00 0.00 C ATOM 164 C TRP A 13 16.377 9.303 -0.105 1.00 0.00 C ATOM 165 O TRP A 13 15.872 9.581 -1.173 1.00 0.00 O ATOM 166 CB TRP A 13 18.655 9.731 0.953 1.00 0.00 C ATOM 167 CG TRP A 13 19.044 11.130 0.514 1.00 0.00 C ATOM 168 CD1 TRP A 13 19.688 11.475 -0.631 1.00 0.00 C ATOM 169 CD2 TRP A 13 18.879 12.339 1.237 1.00 0.00 C ATOM 170 NE1 TRP A 13 19.916 12.806 -0.672 1.00 0.00 N ATOM 171 CE2 TRP A 13 19.432 13.367 0.455 1.00 0.00 C ATOM 172 CE3 TRP A 13 18.311 12.658 2.453 1.00 0.00 C ATOM 173 CZ2 TRP A 13 19.439 14.681 0.855 1.00 0.00 C ATOM 174 CZ3 TRP A 13 18.314 13.972 2.857 1.00 0.00 C ATOM 175 CH2 TRP A 13 18.875 14.971 2.055 1.00 0.00 C ATOM 0 H TRP A 13 17.875 9.722 -1.951 1.00 0.00 H new ATOM 0 HA TRP A 13 17.883 7.877 0.301 1.00 0.00 H new ATOM 0 HB2 TRP A 13 18.092 9.808 1.883 1.00 0.00 H new ATOM 0 HB3 TRP A 13 19.566 9.176 1.177 1.00 0.00 H new ATOM 0 HD1 TRP A 13 19.979 10.779 -1.404 1.00 0.00 H new ATOM 0 HE1 TRP A 13 20.379 13.305 -1.432 1.00 0.00 H new ATOM 0 HE3 TRP A 13 17.873 11.891 3.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.876 15.453 0.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 17.876 14.237 3.808 1.00 0.00 H new ATOM 0 HH2 TRP A 13 18.859 15.995 2.398 1.00 0.00 H new ATOM 186 N ARG A 14 15.694 9.289 0.999 1.00 0.00 N ATOM 187 CA ARG A 14 14.284 9.561 0.981 1.00 0.00 C ATOM 188 C ARG A 14 13.790 9.822 2.332 1.00 0.00 C ATOM 189 O ARG A 14 14.422 9.436 3.302 1.00 0.00 O ATOM 190 CB ARG A 14 13.479 8.427 0.344 1.00 0.00 C ATOM 191 CG ARG A 14 13.600 7.058 0.974 1.00 0.00 C ATOM 192 CD ARG A 14 14.989 6.440 0.824 1.00 0.00 C ATOM 193 NE ARG A 14 15.349 6.213 -0.587 1.00 0.00 N ATOM 194 CZ ARG A 14 16.363 5.480 -1.041 1.00 0.00 C ATOM 195 NH1 ARG A 14 17.151 4.806 -0.198 1.00 0.00 N ATOM 196 NH2 ARG A 14 16.601 5.441 -2.346 1.00 0.00 N ATOM 0 H ARG A 14 16.085 9.094 1.921 1.00 0.00 H new ATOM 0 HA ARG A 14 14.145 10.450 0.366 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.427 8.712 0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.778 8.346 -0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 14 13.356 7.131 2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.864 6.393 0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 14 15.728 7.096 1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 14 15.023 5.493 1.363 1.00 0.00 H new ATOM 0 HE ARG A 14 14.761 6.664 -1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 14 16.979 4.850 0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 14 17.925 4.248 -0.559 1.00 0.00 H new ATOM 0 HH21 ARG A 14 16.010 5.969 -2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 14 17.375 4.883 -2.707 1.00 0.00 H new ATOM 210 N HIS A 15 12.663 10.471 2.399 1.00 0.00 N ATOM 211 CA HIS A 15 12.058 10.861 3.656 1.00 0.00 C ATOM 212 C HIS A 15 10.597 10.495 3.668 1.00 0.00 C ATOM 213 O HIS A 15 9.954 10.422 2.598 1.00 0.00 O ATOM 214 CB HIS A 15 12.228 12.387 3.923 1.00 0.00 C ATOM 215 CG HIS A 15 13.600 12.791 4.438 1.00 0.00 C ATOM 216 ND1 HIS A 15 13.798 13.808 5.341 1.00 0.00 N ATOM 217 CD2 HIS A 15 14.841 12.320 4.145 1.00 0.00 C ATOM 218 CE1 HIS A 15 15.088 13.951 5.579 1.00 0.00 C ATOM 219 NE2 HIS A 15 15.749 13.063 4.871 1.00 0.00 N ATOM 0 H HIS A 15 12.127 10.751 1.578 1.00 0.00 H new ATOM 0 HA HIS A 15 12.571 10.321 4.452 1.00 0.00 H new ATOM 0 HB2 HIS A 15 12.028 12.929 2.999 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.476 12.702 4.646 1.00 0.00 H new ATOM 0 HD2 HIS A 15 15.074 11.512 3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 15 15.528 14.678 6.246 1.00 0.00 H new ATOM 0 HE2 HIS A 15 16.762 12.943 4.860 1.00 0.00 H new ATOM 228 N HIS A 16 10.083 10.235 4.859 1.00 0.00 N ATOM 229 CA HIS A 16 8.679 9.949 5.058 1.00 0.00 C ATOM 230 C HIS A 16 7.957 11.266 4.984 1.00 0.00 C ATOM 231 O HIS A 16 8.497 12.295 5.405 1.00 0.00 O ATOM 232 CB HIS A 16 8.375 9.355 6.470 1.00 0.00 C ATOM 233 CG HIS A 16 9.070 8.084 6.854 1.00 0.00 C ATOM 234 ND1 HIS A 16 10.050 8.039 7.798 1.00 0.00 N ATOM 235 CD2 HIS A 16 8.875 6.807 6.464 1.00 0.00 C ATOM 236 CE1 HIS A 16 10.439 6.803 7.977 1.00 0.00 C ATOM 237 NE2 HIS A 16 9.747 6.027 7.184 1.00 0.00 N ATOM 0 H HIS A 16 10.634 10.217 5.717 1.00 0.00 H new ATOM 0 HA HIS A 16 8.369 9.223 4.306 1.00 0.00 H new ATOM 0 HB2 HIS A 16 8.625 10.112 7.213 1.00 0.00 H new ATOM 0 HB3 HIS A 16 7.301 9.184 6.538 1.00 0.00 H new ATOM 0 HD2 HIS A 16 8.167 6.463 5.725 1.00 0.00 H new ATOM 0 HE1 HIS A 16 11.205 6.477 8.666 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.839 5.014 7.112 1.00 0.00 H new ATOM 246 N ASN A 17 6.802 11.270 4.437 1.00 0.00 N ATOM 247 CA ASN A 17 6.000 12.445 4.447 1.00 0.00 C ATOM 248 C ASN A 17 4.685 12.125 5.083 1.00 0.00 C ATOM 249 O ASN A 17 4.239 10.963 5.013 1.00 0.00 O ATOM 250 CB ASN A 17 5.799 12.938 3.012 1.00 0.00 C ATOM 251 CG ASN A 17 5.879 14.424 2.929 1.00 0.00 C ATOM 252 OD1 ASN A 17 4.875 15.135 3.006 1.00 0.00 O ATOM 253 ND2 ASN A 17 7.073 14.903 2.802 1.00 0.00 N ATOM 0 H ASN A 17 6.381 10.467 3.970 1.00 0.00 H new ATOM 0 HA ASN A 17 6.491 13.233 5.017 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.556 12.495 2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.829 12.604 2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.216 15.912 2.761 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.872 14.272 2.742 1.00 0.00 H new ATOM 260 N GLY A 18 4.063 13.122 5.686 1.00 0.00 N ATOM 261 CA GLY A 18 2.813 12.939 6.387 1.00 0.00 C ATOM 262 C GLY A 18 1.698 12.458 5.483 1.00 0.00 C ATOM 263 O GLY A 18 1.752 12.644 4.250 1.00 0.00 O ATOM 0 H GLY A 18 4.413 14.080 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.956 12.220 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.519 13.882 6.849 1.00 0.00 H new ATOM 267 N PHE A 19 0.696 11.866 6.086 1.00 0.00 N ATOM 268 CA PHE A 19 -0.457 11.320 5.375 1.00 0.00 C ATOM 269 C PHE A 19 -1.193 12.495 4.759 1.00 0.00 C ATOM 270 O PHE A 19 -1.608 13.406 5.494 1.00 0.00 O ATOM 271 CB PHE A 19 -1.412 10.640 6.380 1.00 0.00 C ATOM 272 CG PHE A 19 -0.748 9.778 7.422 1.00 0.00 C ATOM 273 CD1 PHE A 19 -0.210 8.558 7.108 1.00 0.00 C ATOM 274 CD2 PHE A 19 -0.654 10.224 8.716 1.00 0.00 C ATOM 275 CE1 PHE A 19 0.410 7.788 8.070 1.00 0.00 C ATOM 276 CE2 PHE A 19 -0.032 9.464 9.691 1.00 0.00 C ATOM 277 CZ PHE A 19 0.503 8.241 9.363 1.00 0.00 C ATOM 0 H PHE A 19 0.648 11.743 7.097 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.136 10.596 4.626 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.989 11.413 6.887 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.121 10.027 5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.272 8.194 6.093 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.073 11.184 8.978 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.824 6.826 7.805 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.033 9.830 10.705 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.992 7.641 10.116 1.00 0.00 H new ATOM 287 N ASP A 20 -1.350 12.530 3.448 1.00 0.00 N ATOM 288 CA ASP A 20 -2.000 13.659 2.808 1.00 0.00 C ATOM 289 C ASP A 20 -3.462 13.601 3.132 1.00 0.00 C ATOM 290 O ASP A 20 -4.147 12.654 2.726 1.00 0.00 O ATOM 291 CB ASP A 20 -1.827 13.589 1.296 1.00 0.00 C ATOM 292 CG ASP A 20 -2.158 14.899 0.651 1.00 0.00 C ATOM 293 OD1 ASP A 20 -1.242 15.733 0.504 1.00 0.00 O ATOM 294 OD2 ASP A 20 -3.322 15.145 0.296 1.00 0.00 O ATOM 0 H ASP A 20 -1.039 11.797 2.811 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.555 14.586 3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.800 13.313 1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.470 12.808 0.890 1.00 0.00 H new ATOM 299 N PHE A 21 -3.948 14.569 3.887 1.00 0.00 N ATOM 300 CA PHE A 21 -5.310 14.516 4.312 1.00 0.00 C ATOM 301 C PHE A 21 -6.271 14.622 3.165 1.00 0.00 C ATOM 302 O PHE A 21 -7.214 13.905 3.149 1.00 0.00 O ATOM 303 CB PHE A 21 -5.666 15.504 5.417 1.00 0.00 C ATOM 304 CG PHE A 21 -7.017 15.187 5.986 1.00 0.00 C ATOM 305 CD1 PHE A 21 -7.187 14.046 6.751 1.00 0.00 C ATOM 306 CD2 PHE A 21 -8.112 16.000 5.740 1.00 0.00 C ATOM 307 CE1 PHE A 21 -8.423 13.713 7.265 1.00 0.00 C ATOM 308 CE2 PHE A 21 -9.359 15.676 6.253 1.00 0.00 C ATOM 309 CZ PHE A 21 -9.516 14.533 7.017 1.00 0.00 C ATOM 0 H PHE A 21 -3.421 15.382 4.207 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.415 13.525 4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.914 15.465 6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.660 16.520 5.021 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.339 13.407 6.948 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.993 16.893 5.144 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.540 12.818 7.858 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.207 16.315 6.056 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.486 14.279 7.419 1.00 0.00 H new ATOM 319 N ALA A 22 -6.005 15.503 2.202 1.00 0.00 N ATOM 320 CA ALA A 22 -6.862 15.656 1.002 1.00 0.00 C ATOM 321 C ALA A 22 -7.118 14.305 0.343 1.00 0.00 C ATOM 322 O ALA A 22 -8.261 13.962 0.014 1.00 0.00 O ATOM 323 CB ALA A 22 -6.221 16.619 0.002 1.00 0.00 C ATOM 0 H ALA A 22 -5.201 16.130 2.220 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.818 16.070 1.321 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.865 16.718 -0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.091 17.595 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.250 16.231 -0.305 1.00 0.00 H new ATOM 329 N VAL A 23 -6.060 13.529 0.224 1.00 0.00 N ATOM 330 CA VAL A 23 -6.118 12.205 -0.365 1.00 0.00 C ATOM 331 C VAL A 23 -7.001 11.268 0.466 1.00 0.00 C ATOM 332 O VAL A 23 -7.944 10.669 -0.056 1.00 0.00 O ATOM 333 CB VAL A 23 -4.701 11.616 -0.521 1.00 0.00 C ATOM 334 CG1 VAL A 23 -4.739 10.174 -1.000 1.00 0.00 C ATOM 335 CG2 VAL A 23 -3.899 12.453 -1.487 1.00 0.00 C ATOM 0 H VAL A 23 -5.128 13.801 0.536 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.565 12.299 -1.355 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.227 11.630 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.721 9.796 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.285 9.565 -0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.238 10.125 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.900 12.031 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.393 12.461 -2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.824 13.473 -1.110 1.00 0.00 H new ATOM 345 N ILE A 24 -6.696 11.168 1.751 1.00 0.00 N ATOM 346 CA ILE A 24 -7.461 10.312 2.684 1.00 0.00 C ATOM 347 C ILE A 24 -8.933 10.738 2.698 1.00 0.00 C ATOM 348 O ILE A 24 -9.827 9.931 2.586 1.00 0.00 O ATOM 349 CB ILE A 24 -6.913 10.423 4.135 1.00 0.00 C ATOM 350 CG1 ILE A 24 -5.425 10.071 4.217 1.00 0.00 C ATOM 351 CG2 ILE A 24 -7.710 9.555 5.107 1.00 0.00 C ATOM 352 CD1 ILE A 24 -5.083 8.664 3.761 1.00 0.00 C ATOM 0 H ILE A 24 -5.921 11.668 2.187 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.360 9.283 2.339 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.030 11.467 4.427 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.863 10.782 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.092 10.196 5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.297 9.659 6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.752 9.874 5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -7.650 8.512 4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.009 8.503 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.613 7.941 4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.381 8.536 2.720 1.00 0.00 H new ATOM 364 N LYS A 25 -9.120 12.013 2.785 1.00 0.00 N ATOM 365 CA LYS A 25 -10.402 12.686 2.856 1.00 0.00 C ATOM 366 C LYS A 25 -11.282 12.310 1.679 1.00 0.00 C ATOM 367 O LYS A 25 -12.433 11.915 1.851 1.00 0.00 O ATOM 368 CB LYS A 25 -10.139 14.209 2.856 1.00 0.00 C ATOM 369 CG LYS A 25 -11.350 15.125 2.933 1.00 0.00 C ATOM 370 CD LYS A 25 -10.902 16.592 2.851 1.00 0.00 C ATOM 371 CE LYS A 25 -10.493 16.999 1.433 1.00 0.00 C ATOM 372 NZ LYS A 25 -11.620 17.030 0.496 1.00 0.00 N ATOM 0 H LYS A 25 -8.338 12.668 2.811 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.924 12.385 3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.488 14.439 3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.586 14.456 1.950 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.039 14.900 2.119 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.889 14.952 3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.713 17.236 3.191 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.063 16.751 3.528 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.027 17.984 1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.741 16.302 1.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.261 17.127 -0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.164 16.147 0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.236 17.838 0.720 1.00 0.00 H new ATOM 386 N GLU A 26 -10.741 12.403 0.486 1.00 0.00 N ATOM 387 CA GLU A 26 -11.517 12.142 -0.692 1.00 0.00 C ATOM 388 C GLU A 26 -11.638 10.684 -1.037 1.00 0.00 C ATOM 389 O GLU A 26 -12.647 10.276 -1.613 1.00 0.00 O ATOM 390 CB GLU A 26 -11.119 13.047 -1.833 1.00 0.00 C ATOM 391 CG GLU A 26 -11.587 14.457 -1.527 1.00 0.00 C ATOM 392 CD GLU A 26 -11.060 15.528 -2.420 1.00 0.00 C ATOM 393 OE1 GLU A 26 -11.347 15.528 -3.640 1.00 0.00 O ATOM 394 OE2 GLU A 26 -10.410 16.452 -1.896 1.00 0.00 O ATOM 0 H GLU A 26 -9.769 12.657 0.312 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.547 12.410 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.038 13.030 -1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.563 12.696 -2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.676 14.475 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.308 14.697 -0.501 1.00 0.00 H new ATOM 401 N LEU A 27 -10.643 9.887 -0.684 1.00 0.00 N ATOM 402 CA LEU A 27 -10.793 8.442 -0.832 1.00 0.00 C ATOM 403 C LEU A 27 -11.876 7.979 0.148 1.00 0.00 C ATOM 404 O LEU A 27 -12.640 7.092 -0.160 1.00 0.00 O ATOM 405 CB LEU A 27 -9.475 7.682 -0.596 1.00 0.00 C ATOM 406 CG LEU A 27 -9.458 6.215 -1.060 1.00 0.00 C ATOM 407 CD1 LEU A 27 -9.838 6.120 -2.509 1.00 0.00 C ATOM 408 CD2 LEU A 27 -8.089 5.617 -0.865 1.00 0.00 C ATOM 0 H LEU A 27 -9.749 10.198 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 27 -11.082 8.219 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.673 8.215 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.247 7.709 0.470 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.181 5.662 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.821 5.076 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.840 6.525 -2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.129 6.690 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.094 4.579 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.359 6.181 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.821 5.658 0.191 1.00 0.00 H new ATOM 420 N LYS A 28 -11.953 8.663 1.311 1.00 0.00 N ATOM 421 CA LYS A 28 -12.979 8.438 2.340 1.00 0.00 C ATOM 422 C LYS A 28 -14.349 8.830 1.769 1.00 0.00 C ATOM 423 O LYS A 28 -15.372 8.131 1.967 1.00 0.00 O ATOM 424 CB LYS A 28 -12.652 9.327 3.568 1.00 0.00 C ATOM 425 CG LYS A 28 -13.557 9.177 4.769 1.00 0.00 C ATOM 426 CD LYS A 28 -13.404 7.819 5.385 1.00 0.00 C ATOM 427 CE LYS A 28 -14.216 7.662 6.634 1.00 0.00 C ATOM 428 NZ LYS A 28 -14.054 6.293 7.177 1.00 0.00 N ATOM 0 H LYS A 28 -11.291 9.398 1.560 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.996 7.390 2.639 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.630 9.113 3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.676 10.369 3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.321 9.944 5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.594 9.331 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.704 7.060 4.663 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.353 7.644 5.614 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.902 8.396 7.376 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.267 7.855 6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.403 6.265 8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.597 5.623 6.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.048 6.030 7.160 1.00 0.00 H new ATOM 442 N THR A 29 -14.359 9.938 1.028 1.00 0.00 N ATOM 443 CA THR A 29 -15.534 10.434 0.389 1.00 0.00 C ATOM 444 C THR A 29 -16.056 9.390 -0.601 1.00 0.00 C ATOM 445 O THR A 29 -17.197 8.936 -0.481 1.00 0.00 O ATOM 446 CB THR A 29 -15.234 11.770 -0.337 1.00 0.00 C ATOM 447 OG1 THR A 29 -14.655 12.704 0.592 1.00 0.00 O ATOM 448 CG2 THR A 29 -16.495 12.386 -0.933 1.00 0.00 C ATOM 0 H THR A 29 -13.530 10.509 0.865 1.00 0.00 H new ATOM 0 HA THR A 29 -16.298 10.624 1.143 1.00 0.00 H new ATOM 0 HB THR A 29 -14.540 11.555 -1.149 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.899 12.282 1.051 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.242 13.321 -1.433 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.931 11.695 -1.654 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.214 12.583 -0.138 1.00 0.00 H new ATOM 456 N ALA A 30 -15.200 8.953 -1.550 1.00 0.00 N ATOM 457 CA ALA A 30 -15.563 7.978 -2.545 1.00 0.00 C ATOM 458 C ALA A 30 -15.928 6.660 -1.912 1.00 0.00 C ATOM 459 O ALA A 30 -16.806 5.980 -2.360 1.00 0.00 O ATOM 460 CB ALA A 30 -14.439 7.802 -3.539 1.00 0.00 C ATOM 0 H ALA A 30 -14.238 9.282 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.443 8.344 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.726 7.062 -4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -14.235 8.753 -4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.543 7.463 -3.019 1.00 0.00 H new ATOM 466 N ALA A 31 -15.264 6.322 -0.877 1.00 0.00 N ATOM 467 CA ALA A 31 -15.573 5.129 -0.125 1.00 0.00 C ATOM 468 C ALA A 31 -17.026 5.130 0.375 1.00 0.00 C ATOM 469 O ALA A 31 -17.706 4.112 0.304 1.00 0.00 O ATOM 470 CB ALA A 31 -14.678 5.074 1.054 1.00 0.00 C ATOM 0 H ALA A 31 -14.479 6.858 -0.508 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.434 4.268 -0.779 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.897 4.178 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.640 5.047 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.838 5.957 1.673 1.00 0.00 H new ATOM 476 N SER A 32 -17.515 6.288 0.814 1.00 0.00 N ATOM 477 CA SER A 32 -18.805 6.339 1.467 1.00 0.00 C ATOM 478 C SER A 32 -19.908 6.458 0.443 1.00 0.00 C ATOM 479 O SER A 32 -21.000 5.929 0.586 1.00 0.00 O ATOM 480 CB SER A 32 -18.833 7.535 2.407 1.00 0.00 C ATOM 481 OG SER A 32 -17.733 7.492 3.320 1.00 0.00 O ATOM 0 H SER A 32 -17.040 7.187 0.728 1.00 0.00 H new ATOM 0 HA SER A 32 -18.963 5.421 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.795 8.458 1.829 1.00 0.00 H new ATOM 0 HB3 SER A 32 -19.771 7.545 2.962 1.00 0.00 H new ATOM 0 HG SER A 32 -16.905 7.714 2.845 1.00 0.00 H new ATOM 487 N GLN A 33 -19.563 7.120 -0.605 1.00 0.00 N ATOM 488 CA GLN A 33 -20.406 7.561 -1.651 1.00 0.00 C ATOM 489 C GLN A 33 -20.454 6.538 -2.821 1.00 0.00 C ATOM 490 O GLN A 33 -21.504 5.979 -3.135 1.00 0.00 O ATOM 491 CB GLN A 33 -19.790 8.920 -2.028 1.00 0.00 C ATOM 492 CG GLN A 33 -20.021 9.455 -3.391 1.00 0.00 C ATOM 493 CD GLN A 33 -21.446 9.850 -3.702 1.00 0.00 C ATOM 494 OE1 GLN A 33 -21.857 10.983 -3.464 1.00 0.00 O ATOM 495 NE2 GLN A 33 -22.182 8.962 -4.279 1.00 0.00 N ATOM 0 H GLN A 33 -18.592 7.389 -0.762 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.455 7.655 -1.371 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -20.159 9.659 -1.317 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.713 8.846 -1.881 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -19.382 10.326 -3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -19.704 8.705 -4.115 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.809 8.031 -4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -23.137 9.191 -4.553 1.00 0.00 H new ATOM 504 N TYR A 34 -19.294 6.236 -3.348 1.00 0.00 N ATOM 505 CA TYR A 34 -19.085 5.440 -4.564 1.00 0.00 C ATOM 506 C TYR A 34 -19.032 3.978 -4.244 1.00 0.00 C ATOM 507 O TYR A 34 -19.675 3.158 -4.898 1.00 0.00 O ATOM 508 CB TYR A 34 -17.737 5.876 -5.212 1.00 0.00 C ATOM 509 CG TYR A 34 -17.857 7.018 -6.161 1.00 0.00 C ATOM 510 CD1 TYR A 34 -17.877 8.309 -5.699 1.00 0.00 C ATOM 511 CD2 TYR A 34 -17.949 6.803 -7.525 1.00 0.00 C ATOM 512 CE1 TYR A 34 -18.017 9.363 -6.546 1.00 0.00 C ATOM 513 CE2 TYR A 34 -18.079 7.858 -8.399 1.00 0.00 C ATOM 514 CZ TYR A 34 -18.106 9.145 -7.901 1.00 0.00 C ATOM 515 OH TYR A 34 -18.262 10.218 -8.755 1.00 0.00 O ATOM 0 H TYR A 34 -18.417 6.547 -2.931 1.00 0.00 H new ATOM 0 HA TYR A 34 -19.915 5.609 -5.249 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -17.038 6.147 -4.421 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -17.308 5.024 -5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -17.779 8.492 -4.639 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -17.918 5.794 -7.909 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -18.058 10.369 -6.156 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -18.159 7.681 -9.461 1.00 0.00 H new ATOM 0 HH TYR A 34 -18.307 9.896 -9.680 1.00 0.00 H new ATOM 525 N GLY A 35 -18.325 3.665 -3.192 1.00 0.00 N ATOM 526 CA GLY A 35 -18.109 2.296 -2.832 1.00 0.00 C ATOM 527 C GLY A 35 -16.853 1.770 -3.464 1.00 0.00 C ATOM 528 O GLY A 35 -16.540 2.132 -4.596 1.00 0.00 O ATOM 0 H GLY A 35 -17.889 4.345 -2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -18.041 2.207 -1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -18.960 1.693 -3.148 1.00 0.00 H new ATOM 532 N ALA A 36 -16.154 0.879 -2.794 1.00 0.00 N ATOM 533 CA ALA A 36 -14.878 0.432 -3.319 1.00 0.00 C ATOM 534 C ALA A 36 -15.097 -0.697 -4.311 1.00 0.00 C ATOM 535 O ALA A 36 -15.053 -1.864 -3.979 1.00 0.00 O ATOM 536 CB ALA A 36 -13.892 0.088 -2.221 1.00 0.00 C ATOM 0 H ALA A 36 -16.435 0.458 -1.908 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.413 1.257 -3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.953 -0.241 -2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.713 0.969 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.300 -0.711 -1.603 1.00 0.00 H new ATOM 542 N THR A 37 -15.269 -0.296 -5.542 1.00 0.00 N ATOM 543 CA THR A 37 -15.695 -1.130 -6.637 1.00 0.00 C ATOM 544 C THR A 37 -16.000 -0.203 -7.814 1.00 0.00 C ATOM 545 O THR A 37 -15.783 -0.564 -8.969 1.00 0.00 O ATOM 546 CB THR A 37 -16.942 -2.034 -6.287 1.00 0.00 C ATOM 547 OG1 THR A 37 -17.325 -2.879 -7.390 1.00 0.00 O ATOM 548 CG2 THR A 37 -18.121 -1.221 -5.859 1.00 0.00 C ATOM 0 H THR A 37 -15.108 0.671 -5.824 1.00 0.00 H new ATOM 0 HA THR A 37 -14.899 -1.834 -6.880 1.00 0.00 H new ATOM 0 HB THR A 37 -16.627 -2.664 -5.455 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.098 -3.423 -7.132 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.955 -1.883 -5.628 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.861 -0.642 -4.973 1.00 0.00 H new ATOM 0 HG23 THR A 37 -18.407 -0.544 -6.664 1.00 0.00 H new ATOM 556 N ALA A 38 -16.469 1.021 -7.497 1.00 0.00 N ATOM 557 CA ALA A 38 -16.683 2.025 -8.505 1.00 0.00 C ATOM 558 C ALA A 38 -15.322 2.547 -8.962 1.00 0.00 C ATOM 559 O ALA A 38 -14.481 2.906 -8.109 1.00 0.00 O ATOM 560 CB ALA A 38 -17.551 3.144 -7.972 1.00 0.00 C ATOM 0 H ALA A 38 -16.700 1.317 -6.549 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.209 1.592 -9.356 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.700 3.892 -8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -18.517 2.741 -7.666 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.063 3.606 -7.114 1.00 0.00 H new ATOM 566 N PRO A 39 -15.089 2.573 -10.294 1.00 0.00 N ATOM 567 CA PRO A 39 -13.785 2.902 -10.924 1.00 0.00 C ATOM 568 C PRO A 39 -13.032 4.055 -10.278 1.00 0.00 C ATOM 569 O PRO A 39 -11.821 3.981 -10.094 1.00 0.00 O ATOM 570 CB PRO A 39 -14.181 3.281 -12.332 1.00 0.00 C ATOM 571 CG PRO A 39 -15.370 2.458 -12.630 1.00 0.00 C ATOM 572 CD PRO A 39 -16.105 2.270 -11.328 1.00 0.00 C ATOM 0 HA PRO A 39 -13.096 2.062 -10.835 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.409 4.344 -12.405 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.374 3.079 -13.037 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -16.006 2.950 -13.366 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.079 1.496 -13.052 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.962 2.940 -11.253 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.485 1.253 -11.228 1.00 0.00 H new ATOM 580 N TYR A 40 -13.766 5.077 -9.910 1.00 0.00 N ATOM 581 CA TYR A 40 -13.220 6.269 -9.327 1.00 0.00 C ATOM 582 C TYR A 40 -12.325 5.968 -8.103 1.00 0.00 C ATOM 583 O TYR A 40 -11.125 6.231 -8.133 1.00 0.00 O ATOM 584 CB TYR A 40 -14.362 7.255 -8.976 1.00 0.00 C ATOM 585 CG TYR A 40 -13.910 8.535 -8.308 1.00 0.00 C ATOM 586 CD1 TYR A 40 -13.139 9.472 -8.982 1.00 0.00 C ATOM 587 CD2 TYR A 40 -14.258 8.802 -6.995 1.00 0.00 C ATOM 588 CE1 TYR A 40 -12.718 10.626 -8.353 1.00 0.00 C ATOM 589 CE2 TYR A 40 -13.843 9.951 -6.366 1.00 0.00 C ATOM 590 CZ TYR A 40 -13.080 10.857 -7.042 1.00 0.00 C ATOM 591 OH TYR A 40 -12.659 12.002 -6.391 1.00 0.00 O ATOM 0 H TYR A 40 -14.781 5.099 -10.011 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.570 6.738 -10.065 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.899 7.508 -9.890 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.071 6.750 -8.320 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -12.865 9.296 -10.012 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -14.868 8.093 -6.454 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -12.109 11.343 -8.883 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -14.120 10.136 -5.339 1.00 0.00 H new ATOM 0 HH TYR A 40 -13.006 12.004 -5.475 1.00 0.00 H new ATOM 601 N THR A 41 -12.889 5.385 -7.038 1.00 0.00 N ATOM 602 CA THR A 41 -12.163 5.153 -5.811 1.00 0.00 C ATOM 603 C THR A 41 -10.961 4.215 -5.983 1.00 0.00 C ATOM 604 O THR A 41 -9.891 4.502 -5.454 1.00 0.00 O ATOM 605 CB THR A 41 -13.104 4.701 -4.645 1.00 0.00 C ATOM 606 OG1 THR A 41 -12.388 4.551 -3.425 1.00 0.00 O ATOM 607 CG2 THR A 41 -13.773 3.402 -4.958 1.00 0.00 C ATOM 0 H THR A 41 -13.858 5.067 -7.015 1.00 0.00 H new ATOM 0 HA THR A 41 -11.744 6.119 -5.528 1.00 0.00 H new ATOM 0 HB THR A 41 -13.854 5.484 -4.534 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.004 4.270 -2.717 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.419 3.116 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.371 3.509 -5.863 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.018 2.631 -5.111 1.00 0.00 H new ATOM 615 N LEU A 42 -11.093 3.140 -6.748 1.00 0.00 N ATOM 616 CA LEU A 42 -9.948 2.269 -6.914 1.00 0.00 C ATOM 617 C LEU A 42 -8.895 2.832 -7.818 1.00 0.00 C ATOM 618 O LEU A 42 -7.732 2.473 -7.698 1.00 0.00 O ATOM 619 CB LEU A 42 -10.201 0.739 -7.077 1.00 0.00 C ATOM 620 CG LEU A 42 -11.305 0.223 -8.022 1.00 0.00 C ATOM 621 CD1 LEU A 42 -12.671 0.449 -7.432 1.00 0.00 C ATOM 622 CD2 LEU A 42 -11.199 0.799 -9.430 1.00 0.00 C ATOM 0 H LEU A 42 -11.941 2.862 -7.241 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.525 2.275 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.263 0.291 -7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.415 0.341 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.153 -0.852 -8.124 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -13.430 0.076 -8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.749 -0.080 -6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -12.824 1.515 -7.267 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.003 0.399 -10.048 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.281 1.885 -9.386 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.237 0.525 -9.864 1.00 0.00 H new ATOM 634 N ALA A 43 -9.286 3.762 -8.688 1.00 0.00 N ATOM 635 CA ALA A 43 -8.318 4.489 -9.479 1.00 0.00 C ATOM 636 C ALA A 43 -7.431 5.279 -8.546 1.00 0.00 C ATOM 637 O ALA A 43 -6.229 5.354 -8.732 1.00 0.00 O ATOM 638 CB ALA A 43 -8.990 5.405 -10.494 1.00 0.00 C ATOM 0 H ALA A 43 -10.258 4.022 -8.856 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.720 3.778 -10.049 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.228 5.933 -11.068 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.606 4.811 -11.169 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.617 6.128 -9.972 1.00 0.00 H new ATOM 644 N ILE A 44 -8.037 5.791 -7.495 1.00 0.00 N ATOM 645 CA ILE A 44 -7.330 6.540 -6.489 1.00 0.00 C ATOM 646 C ILE A 44 -6.437 5.579 -5.678 1.00 0.00 C ATOM 647 O ILE A 44 -5.257 5.853 -5.486 1.00 0.00 O ATOM 648 CB ILE A 44 -8.323 7.262 -5.559 1.00 0.00 C ATOM 649 CG1 ILE A 44 -9.268 8.132 -6.384 1.00 0.00 C ATOM 650 CG2 ILE A 44 -7.577 8.121 -4.531 1.00 0.00 C ATOM 651 CD1 ILE A 44 -10.461 8.644 -5.616 1.00 0.00 C ATOM 0 H ILE A 44 -9.037 5.697 -7.318 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.708 7.294 -6.971 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.904 6.512 -5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.711 8.982 -6.778 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.620 7.557 -7.240 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.297 8.622 -3.884 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.928 7.486 -3.928 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.974 8.867 -5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.082 9.253 -6.273 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.044 7.801 -5.244 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.120 9.248 -4.775 1.00 0.00 H new ATOM 663 N VAL A 45 -7.011 4.432 -5.264 1.00 0.00 N ATOM 664 CA VAL A 45 -6.279 3.376 -4.513 1.00 0.00 C ATOM 665 C VAL A 45 -4.931 3.042 -5.211 1.00 0.00 C ATOM 666 O VAL A 45 -3.853 3.096 -4.596 1.00 0.00 O ATOM 667 CB VAL A 45 -7.137 2.041 -4.377 1.00 0.00 C ATOM 668 CG1 VAL A 45 -6.369 0.937 -3.666 1.00 0.00 C ATOM 669 CG2 VAL A 45 -8.449 2.286 -3.648 1.00 0.00 C ATOM 0 H VAL A 45 -7.991 4.206 -5.437 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.091 3.771 -3.515 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.351 1.717 -5.396 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.993 0.046 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.465 0.703 -4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.098 1.269 -2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.005 1.351 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.244 2.664 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.040 3.018 -4.198 1.00 0.00 H new ATOM 679 N GLU A 46 -5.006 2.740 -6.511 1.00 0.00 N ATOM 680 CA GLU A 46 -3.820 2.379 -7.293 1.00 0.00 C ATOM 681 C GLU A 46 -2.912 3.563 -7.585 1.00 0.00 C ATOM 682 O GLU A 46 -1.697 3.401 -7.634 1.00 0.00 O ATOM 683 CB GLU A 46 -4.173 1.652 -8.591 1.00 0.00 C ATOM 684 CG GLU A 46 -5.188 2.338 -9.448 1.00 0.00 C ATOM 685 CD GLU A 46 -5.215 1.775 -10.823 1.00 0.00 C ATOM 686 OE1 GLU A 46 -5.813 0.714 -11.028 1.00 0.00 O ATOM 687 OE2 GLU A 46 -4.614 2.382 -11.738 1.00 0.00 O ATOM 0 H GLU A 46 -5.876 2.738 -7.044 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.265 1.690 -6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.261 1.517 -9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.543 0.657 -8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.174 2.239 -8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.964 3.404 -9.495 1.00 0.00 H new ATOM 694 N SER A 47 -3.494 4.747 -7.757 1.00 0.00 N ATOM 695 CA SER A 47 -2.699 5.935 -8.061 1.00 0.00 C ATOM 696 C SER A 47 -1.905 6.381 -6.844 1.00 0.00 C ATOM 697 O SER A 47 -0.788 6.846 -6.970 1.00 0.00 O ATOM 698 CB SER A 47 -3.565 7.082 -8.607 1.00 0.00 C ATOM 699 OG SER A 47 -4.235 6.680 -9.795 1.00 0.00 O ATOM 0 H SER A 47 -4.499 4.910 -7.692 1.00 0.00 H new ATOM 0 HA SER A 47 -1.995 5.662 -8.847 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.295 7.384 -7.856 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.940 7.951 -8.812 1.00 0.00 H new ATOM 0 HG SER A 47 -5.154 6.415 -9.579 1.00 0.00 H new ATOM 705 N VAL A 48 -2.484 6.217 -5.659 1.00 0.00 N ATOM 706 CA VAL A 48 -1.781 6.523 -4.426 1.00 0.00 C ATOM 707 C VAL A 48 -0.639 5.513 -4.227 1.00 0.00 C ATOM 708 O VAL A 48 0.473 5.876 -3.832 1.00 0.00 O ATOM 709 CB VAL A 48 -2.723 6.546 -3.188 1.00 0.00 C ATOM 710 CG1 VAL A 48 -1.933 6.849 -1.936 1.00 0.00 C ATOM 711 CG2 VAL A 48 -3.818 7.598 -3.351 1.00 0.00 C ATOM 0 H VAL A 48 -3.436 5.875 -5.530 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.372 7.529 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.185 5.562 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.604 6.862 -1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.173 6.082 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.452 7.822 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.462 7.592 -2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.363 8.582 -3.461 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.412 7.371 -4.237 1.00 0.00 H new ATOM 721 N ALA A 49 -0.901 4.264 -4.597 1.00 0.00 N ATOM 722 CA ALA A 49 0.104 3.195 -4.505 1.00 0.00 C ATOM 723 C ALA A 49 1.168 3.340 -5.576 1.00 0.00 C ATOM 724 O ALA A 49 2.203 2.709 -5.508 1.00 0.00 O ATOM 725 CB ALA A 49 -0.537 1.805 -4.564 1.00 0.00 C ATOM 0 H ALA A 49 -1.802 3.960 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 49 0.586 3.297 -3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.239 1.043 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.235 1.691 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.072 1.691 -5.507 1.00 0.00 H new ATOM 731 N ASP A 50 0.920 4.216 -6.539 1.00 0.00 N ATOM 732 CA ASP A 50 1.842 4.455 -7.635 1.00 0.00 C ATOM 733 C ASP A 50 2.951 5.390 -7.157 1.00 0.00 C ATOM 734 O ASP A 50 3.968 5.632 -7.846 1.00 0.00 O ATOM 735 CB ASP A 50 1.073 5.045 -8.821 1.00 0.00 C ATOM 736 CG ASP A 50 1.905 5.216 -10.064 1.00 0.00 C ATOM 737 OD1 ASP A 50 2.030 4.249 -10.843 1.00 0.00 O ATOM 738 OD2 ASP A 50 2.420 6.333 -10.321 1.00 0.00 O ATOM 0 H ASP A 50 0.072 4.781 -6.581 1.00 0.00 H new ATOM 0 HA ASP A 50 2.302 3.523 -7.963 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.225 4.399 -9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.666 6.014 -8.532 1.00 0.00 H new ATOM 743 N ASN A 51 2.749 5.892 -5.959 1.00 0.00 N ATOM 744 CA ASN A 51 3.690 6.730 -5.275 1.00 0.00 C ATOM 745 C ASN A 51 4.437 5.862 -4.317 1.00 0.00 C ATOM 746 O ASN A 51 4.019 4.742 -4.061 1.00 0.00 O ATOM 747 CB ASN A 51 2.966 7.801 -4.455 1.00 0.00 C ATOM 748 CG ASN A 51 2.244 8.835 -5.275 1.00 0.00 C ATOM 749 OD1 ASN A 51 2.818 9.857 -5.644 1.00 0.00 O ATOM 750 ND2 ASN A 51 0.997 8.607 -5.548 1.00 0.00 N ATOM 0 H ASN A 51 1.898 5.719 -5.424 1.00 0.00 H new ATOM 0 HA ASN A 51 4.343 7.214 -6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.248 7.312 -3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.692 8.304 -3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.460 9.287 -6.086 1.00 0.00 H new ATOM 0 HD22 ASN A 51 0.553 7.747 -5.225 1.00 0.00 H new ATOM 757 N TRP A 52 5.517 6.347 -3.796 1.00 0.00 N ATOM 758 CA TRP A 52 6.227 5.619 -2.797 1.00 0.00 C ATOM 759 C TRP A 52 5.427 5.666 -1.493 1.00 0.00 C ATOM 760 O TRP A 52 5.106 6.747 -0.968 1.00 0.00 O ATOM 761 CB TRP A 52 7.682 6.130 -2.660 1.00 0.00 C ATOM 762 CG TRP A 52 8.450 5.975 -3.950 1.00 0.00 C ATOM 763 CD1 TRP A 52 8.590 4.825 -4.659 1.00 0.00 C ATOM 764 CD2 TRP A 52 9.193 6.977 -4.677 1.00 0.00 C ATOM 765 NE1 TRP A 52 9.328 5.043 -5.783 1.00 0.00 N ATOM 766 CE2 TRP A 52 9.715 6.351 -5.821 1.00 0.00 C ATOM 767 CE3 TRP A 52 9.455 8.329 -4.482 1.00 0.00 C ATOM 768 CZ2 TRP A 52 10.478 7.028 -6.760 1.00 0.00 C ATOM 769 CZ3 TRP A 52 10.219 9.004 -5.420 1.00 0.00 C ATOM 770 CH2 TRP A 52 10.716 8.351 -6.543 1.00 0.00 C ATOM 0 H TRP A 52 5.927 7.247 -4.047 1.00 0.00 H new ATOM 0 HA TRP A 52 6.324 4.572 -3.085 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.673 7.179 -2.365 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.188 5.580 -1.866 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.174 3.871 -4.372 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.555 4.339 -6.486 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.069 8.844 -3.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.869 6.524 -7.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 10.432 10.053 -5.277 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.304 8.906 -7.259 1.00 0.00 H new ATOM 781 N LEU A 53 5.052 4.500 -1.046 1.00 0.00 N ATOM 782 CA LEU A 53 4.206 4.316 0.092 1.00 0.00 C ATOM 783 C LEU A 53 4.835 3.212 0.975 1.00 0.00 C ATOM 784 O LEU A 53 5.619 2.389 0.470 1.00 0.00 O ATOM 785 CB LEU A 53 2.826 3.881 -0.463 1.00 0.00 C ATOM 786 CG LEU A 53 1.562 4.588 0.073 1.00 0.00 C ATOM 787 CD1 LEU A 53 1.659 6.086 -0.098 1.00 0.00 C ATOM 788 CD2 LEU A 53 0.343 4.112 -0.691 1.00 0.00 C ATOM 0 H LEU A 53 5.339 3.623 -1.482 1.00 0.00 H new ATOM 0 HA LEU A 53 4.094 5.215 0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.847 4.013 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.714 2.813 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 53 1.476 4.347 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.755 6.556 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.524 6.459 0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.768 6.325 -1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.545 4.614 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.463 4.344 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.233 3.035 -0.566 1.00 0.00 H new ATOM 800 N THR A 54 4.571 3.221 2.267 1.00 0.00 N ATOM 801 CA THR A 54 5.116 2.208 3.164 1.00 0.00 C ATOM 802 C THR A 54 3.984 1.481 3.878 1.00 0.00 C ATOM 803 O THR A 54 2.883 1.985 3.901 1.00 0.00 O ATOM 804 CB THR A 54 6.102 2.824 4.210 1.00 0.00 C ATOM 805 OG1 THR A 54 5.496 3.899 4.949 1.00 0.00 O ATOM 806 CG2 THR A 54 7.363 3.324 3.552 1.00 0.00 C ATOM 0 H THR A 54 3.982 3.917 2.724 1.00 0.00 H new ATOM 0 HA THR A 54 5.680 1.499 2.558 1.00 0.00 H new ATOM 0 HB THR A 54 6.354 2.021 4.903 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.537 3.933 4.750 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.025 3.746 4.308 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.865 2.496 3.051 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.112 4.092 2.821 1.00 0.00 H new ATOM 814 N PRO A 55 4.232 0.280 4.485 1.00 0.00 N ATOM 815 CA PRO A 55 3.190 -0.474 5.214 1.00 0.00 C ATOM 816 C PRO A 55 2.568 0.354 6.346 1.00 0.00 C ATOM 817 O PRO A 55 1.402 0.176 6.703 1.00 0.00 O ATOM 818 CB PRO A 55 3.959 -1.662 5.794 1.00 0.00 C ATOM 819 CG PRO A 55 5.129 -1.842 4.891 1.00 0.00 C ATOM 820 CD PRO A 55 5.526 -0.454 4.480 1.00 0.00 C ATOM 0 HA PRO A 55 2.359 -0.757 4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.277 -1.464 6.818 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.339 -2.558 5.820 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.947 -2.350 5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.868 -2.450 4.025 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.241 -0.016 5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.993 -0.443 3.495 1.00 0.00 H new ATOM 828 N THR A 56 3.345 1.277 6.859 1.00 0.00 N ATOM 829 CA THR A 56 2.946 2.150 7.928 1.00 0.00 C ATOM 830 C THR A 56 1.804 3.098 7.468 1.00 0.00 C ATOM 831 O THR A 56 0.697 3.099 8.062 1.00 0.00 O ATOM 832 CB THR A 56 4.173 2.948 8.354 1.00 0.00 C ATOM 833 OG1 THR A 56 5.265 2.015 8.538 1.00 0.00 O ATOM 834 CG2 THR A 56 3.925 3.696 9.655 1.00 0.00 C ATOM 0 H THR A 56 4.297 1.443 6.533 1.00 0.00 H new ATOM 0 HA THR A 56 2.562 1.570 8.767 1.00 0.00 H new ATOM 0 HB THR A 56 4.406 3.686 7.587 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.521 1.994 9.484 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.820 4.254 9.930 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.092 4.387 9.524 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.685 2.984 10.444 1.00 0.00 H new ATOM 842 N ASP A 57 2.044 3.856 6.390 1.00 0.00 N ATOM 843 CA ASP A 57 1.032 4.756 5.867 1.00 0.00 C ATOM 844 C ASP A 57 -0.019 4.002 5.105 1.00 0.00 C ATOM 845 O ASP A 57 -1.144 4.452 5.006 1.00 0.00 O ATOM 846 CB ASP A 57 1.592 6.019 5.132 1.00 0.00 C ATOM 847 CG ASP A 57 2.489 5.785 3.929 1.00 0.00 C ATOM 848 OD1 ASP A 57 3.330 4.878 3.961 1.00 0.00 O ATOM 849 OD2 ASP A 57 2.442 6.598 2.996 1.00 0.00 O ATOM 0 H ASP A 57 2.924 3.858 5.874 1.00 0.00 H new ATOM 0 HA ASP A 57 0.535 5.197 6.731 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.745 6.624 4.808 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.149 6.612 5.857 1.00 0.00 H new ATOM 854 N TRP A 58 0.349 2.817 4.615 1.00 0.00 N ATOM 855 CA TRP A 58 -0.600 1.871 4.035 1.00 0.00 C ATOM 856 C TRP A 58 -1.711 1.536 5.029 1.00 0.00 C ATOM 857 O TRP A 58 -2.889 1.826 4.783 1.00 0.00 O ATOM 858 CB TRP A 58 0.090 0.556 3.624 1.00 0.00 C ATOM 859 CG TRP A 58 0.490 0.463 2.173 1.00 0.00 C ATOM 860 CD1 TRP A 58 0.222 1.350 1.177 1.00 0.00 C ATOM 861 CD2 TRP A 58 1.183 -0.619 1.554 1.00 0.00 C ATOM 862 NE1 TRP A 58 0.734 0.889 -0.009 1.00 0.00 N ATOM 863 CE2 TRP A 58 1.319 -0.304 0.197 1.00 0.00 C ATOM 864 CE3 TRP A 58 1.712 -1.816 2.013 1.00 0.00 C ATOM 865 CZ2 TRP A 58 1.947 -1.132 -0.693 1.00 0.00 C ATOM 866 CZ3 TRP A 58 2.339 -2.643 1.116 1.00 0.00 C ATOM 867 CH2 TRP A 58 2.448 -2.291 -0.224 1.00 0.00 C ATOM 0 H TRP A 58 1.314 2.488 4.610 1.00 0.00 H new ATOM 0 HA TRP A 58 -1.019 2.352 3.151 1.00 0.00 H new ATOM 0 HB2 TRP A 58 0.981 0.425 4.238 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -0.580 -0.273 3.853 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -0.314 2.279 1.302 1.00 0.00 H new ATOM 0 HE1 TRP A 58 0.680 1.374 -0.905 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.632 -2.091 3.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 2.038 -0.865 -1.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.754 -3.581 1.456 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.947 -2.963 -0.906 1.00 0.00 H new ATOM 878 N ASN A 59 -1.335 0.936 6.167 1.00 0.00 N ATOM 879 CA ASN A 59 -2.306 0.499 7.171 1.00 0.00 C ATOM 880 C ASN A 59 -3.128 1.655 7.677 1.00 0.00 C ATOM 881 O ASN A 59 -4.329 1.523 7.858 1.00 0.00 O ATOM 882 CB ASN A 59 -1.646 -0.277 8.317 1.00 0.00 C ATOM 883 CG ASN A 59 -1.147 -1.644 7.872 1.00 0.00 C ATOM 884 OD1 ASN A 59 -1.716 -2.269 6.973 1.00 0.00 O ATOM 885 ND2 ASN A 59 -0.092 -2.109 8.473 1.00 0.00 N ATOM 0 H ASN A 59 -0.364 0.744 6.412 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.986 -0.196 6.678 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.811 0.302 8.712 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.362 -0.400 9.130 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.289 -3.016 8.205 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.354 -1.566 9.212 1.00 0.00 H new ATOM 892 N THR A 60 -2.496 2.805 7.788 1.00 0.00 N ATOM 893 CA THR A 60 -3.180 4.000 8.229 1.00 0.00 C ATOM 894 C THR A 60 -4.230 4.441 7.150 1.00 0.00 C ATOM 895 O THR A 60 -5.401 4.739 7.466 1.00 0.00 O ATOM 896 CB THR A 60 -2.157 5.130 8.498 1.00 0.00 C ATOM 897 OG1 THR A 60 -1.188 4.665 9.457 1.00 0.00 O ATOM 898 CG2 THR A 60 -2.849 6.351 9.065 1.00 0.00 C ATOM 0 H THR A 60 -1.507 2.936 7.578 1.00 0.00 H new ATOM 0 HA THR A 60 -3.708 3.790 9.159 1.00 0.00 H new ATOM 0 HB THR A 60 -1.674 5.397 7.558 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.508 4.127 9.000 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.113 7.134 9.247 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.593 6.710 8.354 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.340 6.089 10.002 1.00 0.00 H new ATOM 906 N LEU A 61 -3.825 4.378 5.875 1.00 0.00 N ATOM 907 CA LEU A 61 -4.658 4.788 4.770 1.00 0.00 C ATOM 908 C LEU A 61 -5.910 3.927 4.699 1.00 0.00 C ATOM 909 O LEU A 61 -6.998 4.448 4.880 1.00 0.00 O ATOM 910 CB LEU A 61 -3.837 4.796 3.453 1.00 0.00 C ATOM 911 CG LEU A 61 -4.452 5.519 2.242 1.00 0.00 C ATOM 912 CD1 LEU A 61 -3.371 5.985 1.322 1.00 0.00 C ATOM 913 CD2 LEU A 61 -5.377 4.624 1.473 1.00 0.00 C ATOM 0 H LEU A 61 -2.905 4.038 5.595 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.001 5.811 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.869 5.252 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.647 3.761 3.167 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.020 6.366 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.815 6.496 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.712 6.672 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.795 5.128 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.791 5.171 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.826 3.756 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.187 4.294 2.123 1.00 0.00 H new ATOM 925 N VAL A 62 -5.744 2.609 4.544 1.00 0.00 N ATOM 926 CA VAL A 62 -6.879 1.685 4.412 1.00 0.00 C ATOM 927 C VAL A 62 -7.864 1.809 5.572 1.00 0.00 C ATOM 928 O VAL A 62 -9.084 1.935 5.371 1.00 0.00 O ATOM 929 CB VAL A 62 -6.408 0.194 4.261 1.00 0.00 C ATOM 930 CG1 VAL A 62 -5.468 -0.234 5.363 1.00 0.00 C ATOM 931 CG2 VAL A 62 -7.578 -0.751 4.230 1.00 0.00 C ATOM 0 H VAL A 62 -4.831 2.155 4.507 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.397 1.975 3.498 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.872 0.150 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.175 -1.272 5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.581 0.399 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.969 -0.138 6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.217 -1.774 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.144 -0.660 5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.222 -0.505 3.386 1.00 0.00 H new ATOM 941 N ARG A 63 -7.319 1.821 6.761 1.00 0.00 N ATOM 942 CA ARG A 63 -8.132 1.828 7.992 1.00 0.00 C ATOM 943 C ARG A 63 -8.936 3.108 8.184 1.00 0.00 C ATOM 944 O ARG A 63 -9.962 3.107 8.903 1.00 0.00 O ATOM 945 CB ARG A 63 -7.293 1.557 9.224 1.00 0.00 C ATOM 946 CG ARG A 63 -6.425 2.721 9.679 1.00 0.00 C ATOM 947 CD ARG A 63 -5.489 2.291 10.775 1.00 0.00 C ATOM 948 NE ARG A 63 -4.722 3.412 11.328 1.00 0.00 N ATOM 949 CZ ARG A 63 -3.565 3.287 12.024 1.00 0.00 C ATOM 950 NH1 ARG A 63 -3.066 2.083 12.301 1.00 0.00 N ATOM 951 NH2 ARG A 63 -2.927 4.354 12.450 1.00 0.00 N ATOM 0 H ARG A 63 -6.312 1.826 6.924 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.847 1.015 7.862 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.956 1.276 10.042 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.650 0.699 9.026 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.852 3.105 8.835 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.057 3.536 10.033 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.061 1.818 11.573 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.801 1.540 10.387 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.085 4.353 11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.555 1.244 11.989 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.195 2.000 12.825 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.302 5.283 12.258 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.057 4.253 12.973 1.00 0.00 H new ATOM 965 N ALA A 64 -8.510 4.182 7.541 1.00 0.00 N ATOM 966 CA ALA A 64 -9.204 5.421 7.662 1.00 0.00 C ATOM 967 C ALA A 64 -10.181 5.601 6.516 1.00 0.00 C ATOM 968 O ALA A 64 -11.384 5.790 6.741 1.00 0.00 O ATOM 969 CB ALA A 64 -8.216 6.577 7.727 1.00 0.00 C ATOM 0 H ALA A 64 -7.689 4.206 6.936 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.776 5.411 8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.761 7.517 7.819 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.563 6.450 8.591 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.615 6.594 6.818 1.00 0.00 H new ATOM 975 N VAL A 65 -9.646 5.550 5.321 1.00 0.00 N ATOM 976 CA VAL A 65 -10.442 5.756 4.100 1.00 0.00 C ATOM 977 C VAL A 65 -11.706 4.860 4.010 1.00 0.00 C ATOM 978 O VAL A 65 -12.752 5.323 3.592 1.00 0.00 O ATOM 979 CB VAL A 65 -9.600 5.665 2.803 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.470 6.679 2.849 1.00 0.00 C ATOM 981 CG2 VAL A 65 -9.066 4.258 2.561 1.00 0.00 C ATOM 0 H VAL A 65 -8.657 5.367 5.150 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.799 6.782 4.187 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.253 5.898 1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.882 6.610 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.885 7.683 2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.831 6.473 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.482 4.244 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.433 3.960 3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.900 3.562 2.472 1.00 0.00 H new ATOM 991 N LEU A 66 -11.622 3.617 4.441 1.00 0.00 N ATOM 992 CA LEU A 66 -12.783 2.737 4.431 1.00 0.00 C ATOM 993 C LEU A 66 -13.151 2.349 5.841 1.00 0.00 C ATOM 994 O LEU A 66 -12.412 2.640 6.792 1.00 0.00 O ATOM 995 CB LEU A 66 -12.565 1.481 3.553 1.00 0.00 C ATOM 996 CG LEU A 66 -12.973 1.549 2.063 1.00 0.00 C ATOM 997 CD1 LEU A 66 -14.471 1.689 1.908 1.00 0.00 C ATOM 998 CD2 LEU A 66 -12.265 2.664 1.349 1.00 0.00 C ATOM 0 H LEU A 66 -10.768 3.191 4.802 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.609 3.290 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.507 1.224 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.112 0.657 4.010 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.670 0.608 1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -14.725 1.734 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -14.966 0.831 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -14.804 2.603 2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -12.576 2.682 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -12.517 3.615 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.188 2.506 1.405 1.00 0.00 H new ATOM 1010 N SER A 67 -14.289 1.748 5.990 1.00 0.00 N ATOM 1011 CA SER A 67 -14.734 1.307 7.277 1.00 0.00 C ATOM 1012 C SER A 67 -15.622 0.073 7.151 1.00 0.00 C ATOM 1013 O SER A 67 -16.693 0.115 6.545 1.00 0.00 O ATOM 1014 CB SER A 67 -15.441 2.458 8.030 1.00 0.00 C ATOM 1015 OG SER A 67 -14.529 3.529 8.314 1.00 0.00 O ATOM 0 H SER A 67 -14.935 1.549 5.226 1.00 0.00 H new ATOM 0 HA SER A 67 -13.865 1.017 7.867 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.271 2.833 7.431 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.865 2.081 8.961 1.00 0.00 H new ATOM 0 HG SER A 67 -13.647 3.314 7.946 1.00 0.00 H new ATOM 1021 N GLY A 68 -15.157 -1.017 7.697 1.00 0.00 N ATOM 1022 CA GLY A 68 -15.903 -2.237 7.682 1.00 0.00 C ATOM 1023 C GLY A 68 -15.388 -3.223 6.651 1.00 0.00 C ATOM 1024 O GLY A 68 -14.627 -4.137 6.988 1.00 0.00 O ATOM 0 H GLY A 68 -14.252 -1.081 8.163 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.862 -2.696 8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.950 -2.016 7.476 1.00 0.00 H new ATOM 1028 N GLY A 69 -15.743 -2.997 5.400 1.00 0.00 N ATOM 1029 CA GLY A 69 -15.402 -3.917 4.330 1.00 0.00 C ATOM 1030 C GLY A 69 -13.918 -3.926 3.968 1.00 0.00 C ATOM 1031 O GLY A 69 -13.418 -4.933 3.451 1.00 0.00 O ATOM 0 H GLY A 69 -16.271 -2.178 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.700 -4.924 4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.980 -3.657 3.443 1.00 0.00 H new ATOM 1035 N ASP A 70 -13.224 -2.807 4.234 1.00 0.00 N ATOM 1036 CA ASP A 70 -11.783 -2.661 3.920 1.00 0.00 C ATOM 1037 C ASP A 70 -10.957 -3.885 4.302 1.00 0.00 C ATOM 1038 O ASP A 70 -10.372 -4.538 3.419 1.00 0.00 O ATOM 1039 CB ASP A 70 -11.154 -1.401 4.574 1.00 0.00 C ATOM 1040 CG ASP A 70 -11.125 -1.393 6.112 1.00 0.00 C ATOM 1041 OD1 ASP A 70 -12.166 -1.082 6.745 1.00 0.00 O ATOM 1042 OD2 ASP A 70 -10.081 -1.748 6.712 1.00 0.00 O ATOM 0 H ASP A 70 -13.637 -1.982 4.669 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.752 -2.551 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.132 -1.296 4.209 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.705 -0.524 4.235 1.00 0.00 H new ATOM 1047 N HIS A 71 -10.993 -4.243 5.584 1.00 0.00 N ATOM 1048 CA HIS A 71 -10.192 -5.300 6.124 1.00 0.00 C ATOM 1049 C HIS A 71 -10.468 -6.594 5.404 1.00 0.00 C ATOM 1050 O HIS A 71 -9.544 -7.241 4.943 1.00 0.00 O ATOM 1051 CB HIS A 71 -10.435 -5.465 7.639 1.00 0.00 C ATOM 1052 CG HIS A 71 -9.508 -6.464 8.299 1.00 0.00 C ATOM 1053 ND1 HIS A 71 -9.840 -7.786 8.504 1.00 0.00 N ATOM 1054 CD2 HIS A 71 -8.246 -6.328 8.767 1.00 0.00 C ATOM 1055 CE1 HIS A 71 -8.823 -8.413 9.056 1.00 0.00 C ATOM 1056 NE2 HIS A 71 -7.849 -7.559 9.224 1.00 0.00 N ATOM 0 H HIS A 71 -11.593 -3.790 6.273 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.145 -5.035 5.977 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -10.316 -4.496 8.125 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -11.466 -5.778 7.801 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.661 -5.420 8.779 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.798 -9.459 9.325 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.938 -7.773 9.630 1.00 0.00 H new ATOM 1065 N LEU A 72 -11.735 -6.934 5.246 1.00 0.00 N ATOM 1066 CA LEU A 72 -12.069 -8.204 4.667 1.00 0.00 C ATOM 1067 C LEU A 72 -11.599 -8.394 3.224 1.00 0.00 C ATOM 1068 O LEU A 72 -10.794 -9.278 2.973 1.00 0.00 O ATOM 1069 CB LEU A 72 -13.508 -8.719 4.989 1.00 0.00 C ATOM 1070 CG LEU A 72 -14.730 -7.794 4.738 1.00 0.00 C ATOM 1071 CD1 LEU A 72 -15.059 -7.632 3.272 1.00 0.00 C ATOM 1072 CD2 LEU A 72 -15.936 -8.313 5.480 1.00 0.00 C ATOM 0 H LEU A 72 -12.531 -6.353 5.508 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.444 -8.910 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.665 -9.630 4.411 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -13.525 -9.002 6.041 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.457 -6.808 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -15.922 -6.975 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.204 -7.198 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -15.289 -8.606 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.786 -7.656 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -16.172 -9.319 5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.722 -8.340 6.548 1.00 0.00 H new ATOM 1084 N LEU A 73 -11.981 -7.547 2.302 1.00 0.00 N ATOM 1085 CA LEU A 73 -11.527 -7.802 0.958 1.00 0.00 C ATOM 1086 C LEU A 73 -10.197 -7.195 0.643 1.00 0.00 C ATOM 1087 O LEU A 73 -9.286 -7.942 0.273 1.00 0.00 O ATOM 1088 CB LEU A 73 -12.559 -7.615 -0.143 1.00 0.00 C ATOM 1089 CG LEU A 73 -13.311 -8.889 -0.628 1.00 0.00 C ATOM 1090 CD1 LEU A 73 -12.354 -9.953 -1.158 1.00 0.00 C ATOM 1091 CD2 LEU A 73 -14.218 -9.459 0.444 1.00 0.00 C ATOM 0 H LEU A 73 -12.568 -6.724 2.440 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.368 -8.880 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.300 -6.896 0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -12.060 -7.168 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 73 -13.943 -8.574 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.923 -10.823 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.792 -9.550 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -11.663 -10.247 -0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.722 -10.346 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.624 -9.728 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.961 -8.713 0.726 1.00 0.00 H new ATOM 1103 N TRP A 74 -10.049 -5.863 0.824 1.00 0.00 N ATOM 1104 CA TRP A 74 -8.779 -5.214 0.602 1.00 0.00 C ATOM 1105 C TRP A 74 -7.669 -5.948 1.389 1.00 0.00 C ATOM 1106 O TRP A 74 -6.721 -6.434 0.854 1.00 0.00 O ATOM 1107 CB TRP A 74 -8.785 -3.707 1.049 1.00 0.00 C ATOM 1108 CG TRP A 74 -9.554 -2.619 0.232 1.00 0.00 C ATOM 1109 CD1 TRP A 74 -10.547 -2.728 -0.709 1.00 0.00 C ATOM 1110 CD2 TRP A 74 -9.282 -1.227 0.316 1.00 0.00 C ATOM 1111 NE1 TRP A 74 -10.950 -1.470 -1.137 1.00 0.00 N ATOM 1112 CE2 TRP A 74 -10.183 -0.538 -0.497 1.00 0.00 C ATOM 1113 CE3 TRP A 74 -8.367 -0.531 1.030 1.00 0.00 C ATOM 1114 CZ2 TRP A 74 -10.189 0.850 -0.588 1.00 0.00 C ATOM 1115 CZ3 TRP A 74 -8.345 0.874 0.954 1.00 0.00 C ATOM 1116 CH2 TRP A 74 -9.269 1.546 0.154 1.00 0.00 C ATOM 0 H TRP A 74 -10.799 -5.239 1.121 1.00 0.00 H new ATOM 0 HA TRP A 74 -8.591 -5.253 -0.471 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -9.179 -3.679 2.065 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.744 -3.388 1.102 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -10.957 -3.661 -1.066 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -11.690 -1.276 -1.812 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.657 -1.052 1.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -10.896 1.364 -1.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -7.611 1.433 1.516 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -9.260 2.625 0.118 1.00 0.00 H new ATOM 1127 N LYS A 75 -7.853 -6.084 2.633 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.787 -6.548 3.466 1.00 0.00 C ATOM 1129 C LYS A 75 -6.627 -8.023 3.614 1.00 0.00 C ATOM 1130 O LYS A 75 -5.501 -8.487 3.668 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.727 -5.797 4.735 1.00 0.00 C ATOM 1132 CG LYS A 75 -6.622 -4.323 4.451 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.240 -3.901 3.916 1.00 0.00 C ATOM 1134 CE LYS A 75 -4.228 -3.817 5.086 1.00 0.00 C ATOM 1135 NZ LYS A 75 -2.915 -3.250 4.726 1.00 0.00 N ATOM 0 H LYS A 75 -8.728 -5.885 3.118 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.887 -6.313 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.617 -5.999 5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.869 -6.125 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.385 -4.045 3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.835 -3.768 5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.893 -4.619 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.313 -2.935 3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.663 -3.213 5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.078 -4.818 5.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.477 -2.826 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.300 -4.004 4.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.041 -2.519 3.997 1.00 0.00 H new ATOM 1149 N SER A 76 -7.694 -8.788 3.643 1.00 0.00 N ATOM 1150 CA SER A 76 -7.500 -10.191 3.841 1.00 0.00 C ATOM 1151 C SER A 76 -6.968 -10.814 2.580 1.00 0.00 C ATOM 1152 O SER A 76 -6.250 -11.809 2.624 1.00 0.00 O ATOM 1153 CB SER A 76 -8.749 -10.858 4.340 1.00 0.00 C ATOM 1154 OG SER A 76 -9.213 -10.189 5.526 1.00 0.00 O ATOM 0 H SER A 76 -8.659 -8.475 3.537 1.00 0.00 H new ATOM 0 HA SER A 76 -6.755 -10.340 4.623 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.520 -10.831 3.570 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.551 -11.908 4.556 1.00 0.00 H new ATOM 0 HG SER A 76 -9.366 -9.241 5.328 1.00 0.00 H new ATOM 1160 N GLU A 77 -7.264 -10.180 1.449 1.00 0.00 N ATOM 1161 CA GLU A 77 -6.722 -10.637 0.206 1.00 0.00 C ATOM 1162 C GLU A 77 -5.326 -10.124 0.118 1.00 0.00 C ATOM 1163 O GLU A 77 -4.504 -10.733 -0.531 1.00 0.00 O ATOM 1164 CB GLU A 77 -7.564 -10.141 -0.969 1.00 0.00 C ATOM 1165 CG GLU A 77 -7.554 -10.983 -2.251 1.00 0.00 C ATOM 1166 CD GLU A 77 -6.254 -10.961 -3.033 1.00 0.00 C ATOM 1167 OE1 GLU A 77 -5.959 -9.923 -3.675 1.00 0.00 O ATOM 1168 OE2 GLU A 77 -5.556 -11.980 -3.099 1.00 0.00 O ATOM 0 H GLU A 77 -7.869 -9.361 1.383 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.730 -11.726 0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.597 -10.055 -0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.228 -9.136 -1.224 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.783 -12.016 -1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.356 -10.633 -2.901 1.00 0.00 H new ATOM 1175 N PHE A 78 -5.038 -8.999 0.807 1.00 0.00 N ATOM 1176 CA PHE A 78 -3.705 -8.490 0.801 1.00 0.00 C ATOM 1177 C PHE A 78 -2.774 -9.532 1.386 1.00 0.00 C ATOM 1178 O PHE A 78 -1.816 -9.933 0.766 1.00 0.00 O ATOM 1179 CB PHE A 78 -3.593 -7.151 1.572 1.00 0.00 C ATOM 1180 CG PHE A 78 -2.223 -6.543 1.585 1.00 0.00 C ATOM 1181 CD1 PHE A 78 -1.750 -5.848 0.484 1.00 0.00 C ATOM 1182 CD2 PHE A 78 -1.419 -6.650 2.700 1.00 0.00 C ATOM 1183 CE1 PHE A 78 -0.499 -5.274 0.498 1.00 0.00 C ATOM 1184 CE2 PHE A 78 -0.168 -6.080 2.714 1.00 0.00 C ATOM 1185 CZ PHE A 78 0.287 -5.392 1.616 1.00 0.00 C ATOM 0 H PHE A 78 -5.710 -8.459 1.352 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.418 -8.281 -0.230 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -4.288 -6.436 1.132 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.912 -7.313 2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.370 -5.755 -0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.774 -7.185 3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.139 -4.734 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.458 -6.173 3.589 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.268 -4.942 1.633 1.00 0.00 H new ATOM 1195 N PHE A 79 -3.138 -10.019 2.549 1.00 0.00 N ATOM 1196 CA PHE A 79 -2.358 -11.003 3.266 1.00 0.00 C ATOM 1197 C PHE A 79 -2.212 -12.303 2.489 1.00 0.00 C ATOM 1198 O PHE A 79 -1.128 -12.934 2.486 1.00 0.00 O ATOM 1199 CB PHE A 79 -2.969 -11.249 4.622 1.00 0.00 C ATOM 1200 CG PHE A 79 -2.702 -10.152 5.609 1.00 0.00 C ATOM 1201 CD1 PHE A 79 -1.452 -10.031 6.207 1.00 0.00 C ATOM 1202 CD2 PHE A 79 -3.683 -9.235 5.935 1.00 0.00 C ATOM 1203 CE1 PHE A 79 -1.202 -9.017 7.104 1.00 0.00 C ATOM 1204 CE2 PHE A 79 -3.442 -8.223 6.829 1.00 0.00 C ATOM 1205 CZ PHE A 79 -2.204 -8.108 7.414 1.00 0.00 C ATOM 0 H PHE A 79 -3.993 -9.741 3.030 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.352 -10.603 3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.046 -11.370 4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.582 -12.187 5.021 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.672 -10.738 5.966 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.658 -9.317 5.477 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.229 -8.929 7.565 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.223 -7.518 7.073 1.00 0.00 H new ATOM 0 HZ PHE A 79 -2.011 -7.310 8.115 1.00 0.00 H new ATOM 1215 N GLU A 80 -3.270 -12.698 1.815 1.00 0.00 N ATOM 1216 CA GLU A 80 -3.243 -13.880 1.017 1.00 0.00 C ATOM 1217 C GLU A 80 -2.336 -13.709 -0.183 1.00 0.00 C ATOM 1218 O GLU A 80 -1.388 -14.469 -0.349 1.00 0.00 O ATOM 1219 CB GLU A 80 -4.645 -14.264 0.601 1.00 0.00 C ATOM 1220 CG GLU A 80 -5.538 -14.627 1.778 1.00 0.00 C ATOM 1221 CD GLU A 80 -4.985 -15.741 2.650 1.00 0.00 C ATOM 1222 OE1 GLU A 80 -5.213 -16.926 2.321 1.00 0.00 O ATOM 1223 OE2 GLU A 80 -4.338 -15.451 3.682 1.00 0.00 O ATOM 0 H GLU A 80 -4.163 -12.205 1.812 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.833 -14.692 1.617 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.095 -13.436 0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.595 -15.110 -0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.691 -13.740 2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.516 -14.926 1.401 1.00 0.00 H new ATOM 1230 N ASN A 81 -2.571 -12.669 -0.966 1.00 0.00 N ATOM 1231 CA ASN A 81 -1.804 -12.453 -2.186 1.00 0.00 C ATOM 1232 C ASN A 81 -0.346 -12.163 -1.889 1.00 0.00 C ATOM 1233 O ASN A 81 0.528 -12.558 -2.657 1.00 0.00 O ATOM 1234 CB ASN A 81 -2.457 -11.382 -3.124 1.00 0.00 C ATOM 1235 CG ASN A 81 -2.324 -9.901 -2.718 1.00 0.00 C ATOM 1236 OD1 ASN A 81 -1.315 -9.449 -2.200 1.00 0.00 O ATOM 1237 ND2 ASN A 81 -3.364 -9.149 -2.935 1.00 0.00 N ATOM 0 H ASN A 81 -3.283 -11.963 -0.782 1.00 0.00 H new ATOM 0 HA ASN A 81 -1.828 -13.388 -2.745 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.025 -11.498 -4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.519 -11.613 -3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.345 -8.164 -2.671 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.198 -9.545 -3.369 1.00 0.00 H new ATOM 1244 N CYS A 82 -0.076 -11.527 -0.766 1.00 0.00 N ATOM 1245 CA CYS A 82 1.284 -11.223 -0.375 1.00 0.00 C ATOM 1246 C CYS A 82 2.062 -12.486 -0.134 1.00 0.00 C ATOM 1247 O CYS A 82 3.120 -12.685 -0.717 1.00 0.00 O ATOM 1248 CB CYS A 82 1.331 -10.298 0.835 1.00 0.00 C ATOM 1249 SG CYS A 82 0.750 -8.631 0.480 1.00 0.00 S ATOM 0 H CYS A 82 -0.786 -11.210 -0.106 1.00 0.00 H new ATOM 0 HA CYS A 82 1.755 -10.689 -1.200 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.724 -10.725 1.634 1.00 0.00 H new ATOM 0 HB3 CYS A 82 2.355 -10.247 1.205 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.545 -8.592 0.583 1.00 0.00 H new ATOM 1255 N ARG A 83 1.513 -13.386 0.654 1.00 0.00 N ATOM 1256 CA ARG A 83 2.221 -14.614 0.895 1.00 0.00 C ATOM 1257 C ARG A 83 2.155 -15.578 -0.271 1.00 0.00 C ATOM 1258 O ARG A 83 3.060 -16.363 -0.457 1.00 0.00 O ATOM 1259 CB ARG A 83 1.940 -15.269 2.248 1.00 0.00 C ATOM 1260 CG ARG A 83 2.798 -14.698 3.387 1.00 0.00 C ATOM 1261 CD ARG A 83 2.479 -13.243 3.715 1.00 0.00 C ATOM 1262 NE ARG A 83 3.507 -12.648 4.593 1.00 0.00 N ATOM 1263 CZ ARG A 83 3.729 -12.942 5.892 1.00 0.00 C ATOM 1264 NH1 ARG A 83 2.866 -13.716 6.592 1.00 0.00 N ATOM 1265 NH2 ARG A 83 4.802 -12.414 6.491 1.00 0.00 N ATOM 0 H ARG A 83 0.611 -13.293 1.121 1.00 0.00 H new ATOM 0 HA ARG A 83 3.264 -14.308 0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.886 -15.139 2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.119 -16.341 2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.652 -15.305 4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.850 -14.779 3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.410 -12.668 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.505 -13.184 4.201 1.00 0.00 H new ATOM 0 HE ARG A 83 4.112 -11.942 4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.031 -14.088 6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.051 -13.927 7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.430 -11.805 5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.992 -12.621 7.472 1.00 0.00 H new ATOM 1279 N ASP A 84 1.108 -15.472 -1.080 1.00 0.00 N ATOM 1280 CA ASP A 84 0.950 -16.279 -2.312 1.00 0.00 C ATOM 1281 C ASP A 84 2.106 -15.981 -3.229 1.00 0.00 C ATOM 1282 O ASP A 84 2.817 -16.877 -3.720 1.00 0.00 O ATOM 1283 CB ASP A 84 -0.314 -15.858 -3.042 1.00 0.00 C ATOM 1284 CG ASP A 84 -0.786 -16.907 -4.023 1.00 0.00 C ATOM 1285 OD1 ASP A 84 -0.065 -17.196 -4.992 1.00 0.00 O ATOM 1286 OD2 ASP A 84 -1.886 -17.495 -3.804 1.00 0.00 O ATOM 0 H ASP A 84 0.336 -14.827 -0.912 1.00 0.00 H new ATOM 0 HA ASP A 84 0.906 -17.335 -2.045 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.103 -15.662 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.130 -14.924 -3.573 1.00 0.00 H new ATOM 1291 N THR A 85 2.300 -14.702 -3.419 1.00 0.00 N ATOM 1292 CA THR A 85 3.357 -14.178 -4.217 1.00 0.00 C ATOM 1293 C THR A 85 4.706 -14.556 -3.594 1.00 0.00 C ATOM 1294 O THR A 85 5.646 -14.933 -4.299 1.00 0.00 O ATOM 1295 CB THR A 85 3.208 -12.649 -4.286 1.00 0.00 C ATOM 1296 OG1 THR A 85 1.938 -12.300 -4.889 1.00 0.00 O ATOM 1297 CG2 THR A 85 4.351 -11.987 -5.024 1.00 0.00 C ATOM 0 H THR A 85 1.705 -13.983 -3.007 1.00 0.00 H new ATOM 0 HA THR A 85 3.312 -14.593 -5.224 1.00 0.00 H new ATOM 0 HB THR A 85 3.237 -12.273 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.277 -12.131 -4.185 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.196 -10.908 -5.043 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.289 -12.209 -4.516 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.393 -12.366 -6.045 1.00 0.00 H new ATOM 1305 N ALA A 86 4.749 -14.524 -2.264 1.00 0.00 N ATOM 1306 CA ALA A 86 5.946 -14.860 -1.521 1.00 0.00 C ATOM 1307 C ALA A 86 6.359 -16.287 -1.791 1.00 0.00 C ATOM 1308 O ALA A 86 7.515 -16.550 -2.007 1.00 0.00 O ATOM 1309 CB ALA A 86 5.769 -14.627 -0.034 1.00 0.00 C ATOM 0 H ALA A 86 3.955 -14.265 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 86 6.740 -14.197 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.689 -14.891 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.539 -13.577 0.145 1.00 0.00 H new ATOM 0 HB3 ALA A 86 4.952 -15.246 0.336 1.00 0.00 H new ATOM 1315 N LYS A 87 5.391 -17.193 -1.809 1.00 0.00 N ATOM 1316 CA LYS A 87 5.634 -18.603 -2.115 1.00 0.00 C ATOM 1317 C LYS A 87 6.300 -18.729 -3.477 1.00 0.00 C ATOM 1318 O LYS A 87 7.338 -19.349 -3.601 1.00 0.00 O ATOM 1319 CB LYS A 87 4.311 -19.384 -2.138 1.00 0.00 C ATOM 1320 CG LYS A 87 3.556 -19.337 -0.834 1.00 0.00 C ATOM 1321 CD LYS A 87 2.124 -19.847 -0.943 1.00 0.00 C ATOM 1322 CE LYS A 87 2.031 -21.319 -1.220 1.00 0.00 C ATOM 1323 NZ LYS A 87 0.618 -21.737 -1.300 1.00 0.00 N ATOM 0 H LYS A 87 4.414 -16.975 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 87 6.284 -19.014 -1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.677 -18.984 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.518 -20.424 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.090 -19.931 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.541 -18.310 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.597 -19.626 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.613 -19.303 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.540 -21.553 -2.155 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.538 -21.877 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.568 -22.758 -1.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.143 -21.531 -0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.145 -21.217 -2.067 1.00 0.00 H new ATOM 1337 N ARG A 88 5.719 -18.061 -4.474 1.00 0.00 N ATOM 1338 CA ARG A 88 6.232 -18.105 -5.846 1.00 0.00 C ATOM 1339 C ARG A 88 7.628 -17.468 -5.969 1.00 0.00 C ATOM 1340 O ARG A 88 8.521 -18.018 -6.625 1.00 0.00 O ATOM 1341 CB ARG A 88 5.249 -17.451 -6.840 1.00 0.00 C ATOM 1342 CG ARG A 88 4.177 -18.395 -7.424 1.00 0.00 C ATOM 1343 CD ARG A 88 3.231 -19.004 -6.379 1.00 0.00 C ATOM 1344 NE ARG A 88 2.417 -20.072 -6.978 1.00 0.00 N ATOM 1345 CZ ARG A 88 1.169 -20.412 -6.656 1.00 0.00 C ATOM 1346 NH1 ARG A 88 0.410 -19.643 -5.882 1.00 0.00 N ATOM 1347 NH2 ARG A 88 0.653 -21.509 -7.187 1.00 0.00 N ATOM 0 H ARG A 88 4.889 -17.480 -4.357 1.00 0.00 H new ATOM 0 HA ARG A 88 6.329 -19.160 -6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.747 -16.624 -6.338 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.821 -17.024 -7.664 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.585 -17.845 -8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.675 -19.203 -7.960 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.809 -19.404 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.581 -18.229 -5.973 1.00 0.00 H new ATOM 0 HE ARG A 88 2.856 -20.613 -7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.779 -18.765 -5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.542 -19.931 -5.653 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.208 -22.075 -7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.300 -21.788 -6.955 1.00 0.00 H new ATOM 1361 N ASN A 89 7.823 -16.354 -5.313 1.00 0.00 N ATOM 1362 CA ASN A 89 9.065 -15.618 -5.389 1.00 0.00 C ATOM 1363 C ASN A 89 10.169 -16.262 -4.571 1.00 0.00 C ATOM 1364 O ASN A 89 11.339 -16.235 -4.953 1.00 0.00 O ATOM 1365 CB ASN A 89 8.859 -14.163 -4.961 1.00 0.00 C ATOM 1366 CG ASN A 89 8.189 -13.296 -6.021 1.00 0.00 C ATOM 1367 OD1 ASN A 89 7.447 -13.789 -6.882 1.00 0.00 O ATOM 1368 ND2 ASN A 89 8.378 -12.008 -5.923 1.00 0.00 N ATOM 0 H ASN A 89 7.123 -15.927 -4.707 1.00 0.00 H new ATOM 0 HA ASN A 89 9.383 -15.638 -6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.254 -14.143 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.826 -13.728 -4.708 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.908 -11.373 -6.568 1.00 0.00 H new ATOM 0 HD22 ASN A 89 8.996 -11.637 -5.202 1.00 0.00 H new ATOM 1375 N GLN A 90 9.833 -16.874 -3.456 1.00 0.00 N ATOM 1376 CA GLN A 90 10.888 -17.444 -2.637 1.00 0.00 C ATOM 1377 C GLN A 90 11.286 -18.837 -3.072 1.00 0.00 C ATOM 1378 O GLN A 90 12.271 -19.379 -2.578 1.00 0.00 O ATOM 1379 CB GLN A 90 10.659 -17.276 -1.135 1.00 0.00 C ATOM 1380 CG GLN A 90 10.259 -15.846 -0.795 1.00 0.00 C ATOM 1381 CD GLN A 90 11.104 -14.799 -1.515 1.00 0.00 C ATOM 1382 OE1 GLN A 90 12.322 -14.943 -1.711 1.00 0.00 O ATOM 1383 NE2 GLN A 90 10.429 -13.837 -2.055 1.00 0.00 N ATOM 0 H GLN A 90 8.883 -16.989 -3.104 1.00 0.00 H new ATOM 0 HA GLN A 90 11.775 -16.839 -2.826 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.880 -17.963 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.568 -17.541 -0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.210 -15.698 -1.053 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.347 -15.697 0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.429 -13.750 -1.871 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.896 -13.166 -2.664 1.00 0.00 H new ATOM 1392 N GLN A 91 10.517 -19.428 -4.006 1.00 0.00 N ATOM 1393 CA GLN A 91 10.996 -20.638 -4.728 1.00 0.00 C ATOM 1394 C GLN A 91 12.343 -20.316 -5.350 1.00 0.00 C ATOM 1395 O GLN A 91 13.251 -21.138 -5.372 1.00 0.00 O ATOM 1396 CB GLN A 91 10.107 -21.009 -5.917 1.00 0.00 C ATOM 1397 CG GLN A 91 8.649 -21.186 -5.666 1.00 0.00 C ATOM 1398 CD GLN A 91 8.314 -22.293 -4.690 1.00 0.00 C ATOM 1399 OE1 GLN A 91 9.049 -23.278 -4.549 1.00 0.00 O ATOM 1400 NE2 GLN A 91 7.189 -22.160 -4.034 1.00 0.00 N ATOM 0 H GLN A 91 9.588 -19.105 -4.278 1.00 0.00 H new ATOM 0 HA GLN A 91 11.012 -21.450 -4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 91 10.225 -20.237 -6.677 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.488 -21.937 -6.344 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.241 -20.249 -5.288 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.151 -21.391 -6.614 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.610 -21.333 -4.177 1.00 0.00 H new ATOM 0 HE22 GLN A 91 6.892 -22.884 -3.379 1.00 0.00 H new ATOM 1409 N ALA A 92 12.446 -19.104 -5.864 1.00 0.00 N ATOM 1410 CA ALA A 92 13.630 -18.650 -6.509 1.00 0.00 C ATOM 1411 C ALA A 92 14.642 -18.169 -5.460 1.00 0.00 C ATOM 1412 O ALA A 92 15.853 -18.149 -5.686 1.00 0.00 O ATOM 1413 CB ALA A 92 13.259 -17.550 -7.483 1.00 0.00 C ATOM 0 H ALA A 92 11.696 -18.414 -5.837 1.00 0.00 H new ATOM 0 HA ALA A 92 14.100 -19.461 -7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 92 14.157 -17.191 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.560 -17.940 -8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.793 -16.727 -6.942 1.00 0.00 H new ATOM 1419 N GLY A 93 14.121 -17.798 -4.317 1.00 0.00 N ATOM 1420 CA GLY A 93 14.936 -17.358 -3.212 1.00 0.00 C ATOM 1421 C GLY A 93 15.373 -15.935 -3.367 1.00 0.00 C ATOM 1422 O GLY A 93 16.539 -15.610 -3.139 1.00 0.00 O ATOM 0 H GLY A 93 13.119 -17.793 -4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 93 14.376 -17.466 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.813 -18.000 -3.131 1.00 0.00 H new ATOM 1426 N ASN A 94 14.447 -15.082 -3.769 1.00 0.00 N ATOM 1427 CA ASN A 94 14.724 -13.666 -4.007 1.00 0.00 C ATOM 1428 C ASN A 94 15.186 -12.937 -2.764 1.00 0.00 C ATOM 1429 O ASN A 94 16.139 -12.170 -2.813 1.00 0.00 O ATOM 1430 CB ASN A 94 13.504 -12.942 -4.556 1.00 0.00 C ATOM 1431 CG ASN A 94 13.102 -13.369 -5.953 1.00 0.00 C ATOM 1432 OD1 ASN A 94 13.933 -13.832 -6.736 1.00 0.00 O ATOM 1433 ND2 ASN A 94 11.847 -13.171 -6.300 1.00 0.00 N ATOM 0 H ASN A 94 13.477 -15.347 -3.942 1.00 0.00 H new ATOM 0 HA ASN A 94 15.531 -13.654 -4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.664 -13.108 -3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.703 -11.870 -4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 94 11.536 -13.403 -7.243 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.186 -12.786 -5.625 1.00 0.00 H new ATOM 1440 N GLY A 95 14.538 -13.177 -1.650 1.00 0.00 N ATOM 1441 CA GLY A 95 14.873 -12.427 -0.456 1.00 0.00 C ATOM 1442 C GLY A 95 14.070 -11.154 -0.445 1.00 0.00 C ATOM 1443 O GLY A 95 14.594 -10.057 -0.234 1.00 0.00 O ATOM 0 H GLY A 95 13.794 -13.866 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.657 -13.018 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.939 -12.201 -0.438 1.00 0.00 H new ATOM 1447 N TRP A 96 12.813 -11.345 -0.707 1.00 0.00 N ATOM 1448 CA TRP A 96 11.777 -10.344 -0.839 1.00 0.00 C ATOM 1449 C TRP A 96 10.476 -10.998 -0.491 1.00 0.00 C ATOM 1450 O TRP A 96 10.465 -12.137 -0.059 1.00 0.00 O ATOM 1451 CB TRP A 96 11.615 -9.816 -2.277 1.00 0.00 C ATOM 1452 CG TRP A 96 12.625 -8.859 -2.788 1.00 0.00 C ATOM 1453 CD1 TRP A 96 13.127 -7.774 -2.144 1.00 0.00 C ATOM 1454 CD2 TRP A 96 13.187 -8.854 -4.101 1.00 0.00 C ATOM 1455 NE1 TRP A 96 13.996 -7.108 -2.965 1.00 0.00 N ATOM 1456 CE2 TRP A 96 14.054 -7.758 -4.178 1.00 0.00 C ATOM 1457 CE3 TRP A 96 13.044 -9.682 -5.215 1.00 0.00 C ATOM 1458 CZ2 TRP A 96 14.786 -7.468 -5.330 1.00 0.00 C ATOM 1459 CZ3 TRP A 96 13.761 -9.396 -6.351 1.00 0.00 C ATOM 1460 CH2 TRP A 96 14.627 -8.294 -6.400 1.00 0.00 C ATOM 0 H TRP A 96 12.445 -12.286 -0.848 1.00 0.00 H new ATOM 0 HA TRP A 96 12.051 -9.510 -0.192 1.00 0.00 H new ATOM 0 HB2 TRP A 96 11.600 -10.675 -2.948 1.00 0.00 H new ATOM 0 HB3 TRP A 96 10.638 -9.339 -2.349 1.00 0.00 H new ATOM 0 HD1 TRP A 96 12.878 -7.481 -1.135 1.00 0.00 H new ATOM 0 HE1 TRP A 96 14.517 -6.266 -2.718 1.00 0.00 H new ATOM 0 HE3 TRP A 96 12.381 -10.534 -5.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 15.454 -6.620 -5.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 13.656 -10.029 -7.220 1.00 0.00 H new ATOM 0 HH2 TRP A 96 15.180 -8.096 -7.307 1.00 0.00 H new ATOM 1471 N ASP A 97 9.428 -10.214 -0.528 1.00 0.00 N ATOM 1472 CA ASP A 97 8.045 -10.678 -0.591 1.00 0.00 C ATOM 1473 C ASP A 97 7.518 -11.261 0.679 1.00 0.00 C ATOM 1474 O ASP A 97 6.573 -10.752 1.215 1.00 0.00 O ATOM 1475 CB ASP A 97 7.799 -11.635 -1.761 1.00 0.00 C ATOM 1476 CG ASP A 97 8.328 -11.089 -3.065 1.00 0.00 C ATOM 1477 OD1 ASP A 97 7.703 -10.201 -3.663 1.00 0.00 O ATOM 1478 OD2 ASP A 97 9.416 -11.562 -3.511 1.00 0.00 O ATOM 0 H ASP A 97 9.506 -9.197 -0.515 1.00 0.00 H new ATOM 0 HA ASP A 97 7.476 -9.764 -0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.274 -12.593 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.730 -11.824 -1.855 1.00 0.00 H new ATOM 1483 N PHE A 98 8.132 -12.298 1.181 1.00 0.00 N ATOM 1484 CA PHE A 98 7.619 -12.952 2.375 1.00 0.00 C ATOM 1485 C PHE A 98 7.612 -12.023 3.588 1.00 0.00 C ATOM 1486 O PHE A 98 6.605 -11.914 4.288 1.00 0.00 O ATOM 1487 CB PHE A 98 8.279 -14.345 2.654 1.00 0.00 C ATOM 1488 CG PHE A 98 7.983 -14.874 4.036 1.00 0.00 C ATOM 1489 CD1 PHE A 98 6.673 -15.143 4.425 1.00 0.00 C ATOM 1490 CD2 PHE A 98 8.999 -15.075 4.951 1.00 0.00 C ATOM 1491 CE1 PHE A 98 6.384 -15.598 5.687 1.00 0.00 C ATOM 1492 CE2 PHE A 98 8.714 -15.538 6.220 1.00 0.00 C ATOM 1493 CZ PHE A 98 7.402 -15.800 6.589 1.00 0.00 C ATOM 0 H PHE A 98 8.980 -12.712 0.794 1.00 0.00 H new ATOM 0 HA PHE A 98 6.573 -13.181 2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 98 7.926 -15.063 1.913 1.00 0.00 H new ATOM 0 HB3 PHE A 98 9.358 -14.261 2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.869 -14.991 3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 98 10.022 -14.869 4.672 1.00 0.00 H new ATOM 0 HE1 PHE A 98 5.361 -15.797 5.971 1.00 0.00 H new ATOM 0 HE2 PHE A 98 9.514 -15.697 6.928 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.181 -16.162 7.582 1.00 0.00 H new ATOM 1503 N ASP A 99 8.705 -11.391 3.850 1.00 0.00 N ATOM 1504 CA ASP A 99 8.770 -10.411 4.915 1.00 0.00 C ATOM 1505 C ASP A 99 8.378 -9.025 4.408 1.00 0.00 C ATOM 1506 O ASP A 99 7.532 -8.346 5.003 1.00 0.00 O ATOM 1507 CB ASP A 99 10.162 -10.423 5.521 1.00 0.00 C ATOM 1508 CG ASP A 99 10.319 -9.479 6.668 1.00 0.00 C ATOM 1509 OD1 ASP A 99 9.666 -9.655 7.704 1.00 0.00 O ATOM 1510 OD2 ASP A 99 11.135 -8.584 6.575 1.00 0.00 O ATOM 0 H ASP A 99 9.580 -11.527 3.344 1.00 0.00 H new ATOM 0 HA ASP A 99 8.053 -10.671 5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.395 -11.433 5.857 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.888 -10.169 4.749 1.00 0.00 H new ATOM 1515 N MET A 100 8.949 -8.651 3.275 1.00 0.00 N ATOM 1516 CA MET A 100 8.774 -7.321 2.682 1.00 0.00 C ATOM 1517 C MET A 100 7.344 -7.073 2.185 1.00 0.00 C ATOM 1518 O MET A 100 6.693 -6.133 2.628 1.00 0.00 O ATOM 1519 CB MET A 100 9.769 -7.082 1.535 1.00 0.00 C ATOM 1520 CG MET A 100 11.261 -7.258 1.887 1.00 0.00 C ATOM 1521 SD MET A 100 11.714 -8.974 2.212 1.00 0.00 S ATOM 1522 CE MET A 100 13.472 -8.815 2.494 1.00 0.00 C ATOM 0 H MET A 100 9.555 -9.264 2.730 1.00 0.00 H new ATOM 0 HA MET A 100 8.973 -6.611 3.484 1.00 0.00 H new ATOM 0 HB2 MET A 100 9.525 -7.764 0.721 1.00 0.00 H new ATOM 0 HB3 MET A 100 9.622 -6.070 1.158 1.00 0.00 H new ATOM 0 HG2 MET A 100 11.869 -6.877 1.066 1.00 0.00 H new ATOM 0 HG3 MET A 100 11.495 -6.654 2.764 1.00 0.00 H new ATOM 0 HE1 MET A 100 13.957 -9.776 2.321 1.00 0.00 H new ATOM 0 HE2 MET A 100 13.884 -8.073 1.811 1.00 0.00 H new ATOM 0 HE3 MET A 100 13.648 -8.499 3.522 1.00 0.00 H new ATOM 1532 N LEU A 101 6.855 -7.908 1.276 1.00 0.00 N ATOM 1533 CA LEU A 101 5.506 -7.733 0.743 1.00 0.00 C ATOM 1534 C LEU A 101 4.527 -8.323 1.716 1.00 0.00 C ATOM 1535 O LEU A 101 4.100 -9.453 1.570 1.00 0.00 O ATOM 1536 CB LEU A 101 5.375 -8.479 -0.594 1.00 0.00 C ATOM 1537 CG LEU A 101 3.971 -8.584 -1.207 1.00 0.00 C ATOM 1538 CD1 LEU A 101 3.434 -7.243 -1.561 1.00 0.00 C ATOM 1539 CD2 LEU A 101 3.986 -9.518 -2.392 1.00 0.00 C ATOM 0 H LEU A 101 7.364 -8.705 0.895 1.00 0.00 H new ATOM 0 HA LEU A 101 5.308 -6.672 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.024 -7.988 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.759 -9.490 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 101 3.297 -9.004 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.439 -7.352 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.375 -6.626 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.094 -6.767 -2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.984 -9.583 -2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.676 -9.138 -3.146 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.309 -10.508 -2.071 1.00 0.00 H new ATOM 1551 N THR A 102 4.205 -7.569 2.706 1.00 0.00 N ATOM 1552 CA THR A 102 3.287 -7.942 3.757 1.00 0.00 C ATOM 1553 C THR A 102 3.204 -6.715 4.621 1.00 0.00 C ATOM 1554 O THR A 102 2.150 -6.073 4.815 1.00 0.00 O ATOM 1555 CB THR A 102 3.868 -9.071 4.693 1.00 0.00 C ATOM 1556 OG1 THR A 102 4.432 -10.176 3.964 1.00 0.00 O ATOM 1557 CG2 THR A 102 2.782 -9.617 5.554 1.00 0.00 C ATOM 0 H THR A 102 4.584 -6.629 2.823 1.00 0.00 H new ATOM 0 HA THR A 102 2.352 -8.296 3.323 1.00 0.00 H new ATOM 0 HB THR A 102 4.659 -8.602 5.278 1.00 0.00 H new ATOM 0 HG1 THR A 102 4.051 -10.201 3.061 1.00 0.00 H new ATOM 0 HG21 THR A 102 3.187 -10.397 6.199 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.367 -8.817 6.167 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.996 -10.037 4.926 1.00 0.00 H new ATOM 1565 N GLY A 103 4.362 -6.383 5.086 1.00 0.00 N ATOM 1566 CA GLY A 103 4.591 -5.295 5.930 1.00 0.00 C ATOM 1567 C GLY A 103 5.931 -5.498 6.501 1.00 0.00 C ATOM 1568 O GLY A 103 6.862 -4.760 6.192 1.00 0.00 O ATOM 0 H GLY A 103 5.211 -6.903 4.865 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.540 -4.356 5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.836 -5.245 6.715 1.00 0.00 H new ATOM 1572 N SER A 104 6.031 -6.559 7.313 1.00 0.00 N ATOM 1573 CA SER A 104 7.235 -7.042 7.916 1.00 0.00 C ATOM 1574 C SER A 104 6.869 -8.027 8.965 1.00 0.00 C ATOM 1575 O SER A 104 6.283 -7.663 9.999 1.00 0.00 O ATOM 1576 CB SER A 104 8.096 -5.944 8.520 1.00 0.00 C ATOM 1577 OG SER A 104 7.366 -5.108 9.423 1.00 0.00 O ATOM 0 H SER A 104 5.217 -7.119 7.567 1.00 0.00 H new ATOM 0 HA SER A 104 7.836 -7.499 7.130 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.937 -6.395 9.047 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.512 -5.332 7.720 1.00 0.00 H new ATOM 0 HG SER A 104 6.717 -5.650 9.919 1.00 0.00 H new ATOM 1583 N GLY A 105 7.169 -9.247 8.713 1.00 0.00 N ATOM 1584 CA GLY A 105 6.884 -10.253 9.657 1.00 0.00 C ATOM 1585 C GLY A 105 7.941 -10.256 10.690 1.00 0.00 C ATOM 1586 O GLY A 105 7.665 -10.157 11.888 1.00 0.00 O ATOM 0 H GLY A 105 7.615 -9.571 7.855 1.00 0.00 H new ATOM 0 HA2 GLY A 105 5.911 -10.075 10.115 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.833 -11.225 9.167 1.00 0.00 H new ATOM 1590 N ASN A 106 9.152 -10.332 10.229 1.00 0.00 N ATOM 1591 CA ASN A 106 10.280 -10.425 11.088 1.00 0.00 C ATOM 1592 C ASN A 106 11.254 -9.246 11.035 1.00 0.00 C ATOM 1593 O ASN A 106 11.646 -8.742 12.089 1.00 0.00 O ATOM 1594 CB ASN A 106 11.031 -11.742 10.858 1.00 0.00 C ATOM 1595 CG ASN A 106 10.270 -12.967 11.306 1.00 0.00 C ATOM 1596 OD1 ASN A 106 9.524 -13.570 10.536 1.00 0.00 O ATOM 1597 ND2 ASN A 106 10.445 -13.338 12.543 1.00 0.00 N ATOM 0 H ASN A 106 9.381 -10.331 9.235 1.00 0.00 H new ATOM 0 HA ASN A 106 9.857 -10.396 12.092 1.00 0.00 H new ATOM 0 HB2 ASN A 106 11.261 -11.837 9.797 1.00 0.00 H new ATOM 0 HB3 ASN A 106 11.983 -11.704 11.388 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.954 -14.156 12.904 1.00 0.00 H new ATOM 0 HD22 ASN A 106 11.073 -12.811 13.150 1.00 0.00 H new ATOM 1604 N TYR A 107 11.626 -8.754 9.842 1.00 0.00 N ATOM 1605 CA TYR A 107 12.828 -7.884 9.809 1.00 0.00 C ATOM 1606 C TYR A 107 12.786 -6.559 9.002 1.00 0.00 C ATOM 1607 O TYR A 107 13.148 -5.509 9.549 1.00 0.00 O ATOM 1608 CB TYR A 107 14.105 -8.724 9.475 1.00 0.00 C ATOM 1609 CG TYR A 107 14.001 -9.582 8.219 1.00 0.00 C ATOM 1610 CD1 TYR A 107 13.449 -10.847 8.268 1.00 0.00 C ATOM 1611 CD2 TYR A 107 14.459 -9.118 6.995 1.00 0.00 C ATOM 1612 CE1 TYR A 107 13.346 -11.625 7.134 1.00 0.00 C ATOM 1613 CE2 TYR A 107 14.366 -9.887 5.847 1.00 0.00 C ATOM 1614 CZ TYR A 107 13.802 -11.146 5.924 1.00 0.00 C ATOM 1615 OH TYR A 107 13.673 -11.933 4.791 1.00 0.00 O ATOM 0 H TYR A 107 11.160 -8.921 8.950 1.00 0.00 H new ATOM 0 HA TYR A 107 12.858 -7.498 10.828 1.00 0.00 H new ATOM 0 HB2 TYR A 107 14.950 -8.044 9.364 1.00 0.00 H new ATOM 0 HB3 TYR A 107 14.327 -9.372 10.323 1.00 0.00 H new ATOM 0 HD1 TYR A 107 13.092 -11.234 9.211 1.00 0.00 H new ATOM 0 HD2 TYR A 107 14.899 -8.133 6.936 1.00 0.00 H new ATOM 0 HE1 TYR A 107 12.908 -12.610 7.194 1.00 0.00 H new ATOM 0 HE2 TYR A 107 14.730 -9.507 4.904 1.00 0.00 H new ATOM 0 HH TYR A 107 14.040 -11.456 4.018 1.00 0.00 H new ATOM 1625 N SER A 108 12.385 -6.596 7.743 1.00 0.00 N ATOM 1626 CA SER A 108 12.489 -5.451 6.809 1.00 0.00 C ATOM 1627 C SER A 108 11.915 -4.146 7.334 1.00 0.00 C ATOM 1628 O SER A 108 12.510 -3.063 7.116 1.00 0.00 O ATOM 1629 CB SER A 108 11.849 -5.820 5.476 1.00 0.00 C ATOM 1630 OG SER A 108 12.459 -6.991 4.957 1.00 0.00 O ATOM 0 H SER A 108 11.970 -7.426 7.320 1.00 0.00 H new ATOM 0 HA SER A 108 13.555 -5.259 6.684 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.780 -5.984 5.609 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.960 -4.998 4.769 1.00 0.00 H new ATOM 0 HG SER A 108 12.100 -7.778 5.417 1.00 0.00 H new ATOM 1636 N SER A 109 10.813 -4.259 8.055 1.00 0.00 N ATOM 1637 CA SER A 109 10.066 -3.126 8.602 1.00 0.00 C ATOM 1638 C SER A 109 9.798 -2.054 7.508 1.00 0.00 C ATOM 1639 O SER A 109 9.861 -2.344 6.289 1.00 0.00 O ATOM 1640 CB SER A 109 10.796 -2.538 9.855 1.00 0.00 C ATOM 1641 OG SER A 109 12.102 -2.039 9.557 1.00 0.00 O ATOM 0 H SER A 109 10.398 -5.162 8.285 1.00 0.00 H new ATOM 0 HA SER A 109 9.091 -3.479 8.937 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.193 -1.733 10.276 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.874 -3.311 10.619 1.00 0.00 H new ATOM 0 HG SER A 109 12.256 -2.082 8.590 1.00 0.00 H new ATOM 1647 N THR A 110 9.473 -0.858 7.932 1.00 0.00 N ATOM 1648 CA THR A 110 9.264 0.261 7.049 1.00 0.00 C ATOM 1649 C THR A 110 10.552 0.587 6.253 1.00 0.00 C ATOM 1650 O THR A 110 10.491 0.880 5.059 1.00 0.00 O ATOM 1651 CB THR A 110 8.887 1.467 7.918 1.00 0.00 C ATOM 1652 OG1 THR A 110 7.823 1.071 8.794 1.00 0.00 O ATOM 1653 CG2 THR A 110 8.424 2.645 7.088 1.00 0.00 C ATOM 0 H THR A 110 9.344 -0.631 8.918 1.00 0.00 H new ATOM 0 HA THR A 110 8.477 0.024 6.333 1.00 0.00 H new ATOM 0 HB THR A 110 9.771 1.780 8.474 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.980 1.461 8.482 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.168 3.475 7.746 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.223 2.951 6.412 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.547 2.359 6.507 1.00 0.00 H new ATOM 1661 N ASP A 111 11.694 0.437 6.916 1.00 0.00 N ATOM 1662 CA ASP A 111 12.998 0.863 6.404 1.00 0.00 C ATOM 1663 C ASP A 111 13.387 0.182 5.070 1.00 0.00 C ATOM 1664 O ASP A 111 13.457 0.841 4.023 1.00 0.00 O ATOM 1665 CB ASP A 111 14.064 0.576 7.465 1.00 0.00 C ATOM 1666 CG ASP A 111 15.371 1.312 7.273 1.00 0.00 C ATOM 1667 OD1 ASP A 111 15.782 1.573 6.136 1.00 0.00 O ATOM 1668 OD2 ASP A 111 16.030 1.619 8.292 1.00 0.00 O ATOM 0 H ASP A 111 11.743 0.009 7.840 1.00 0.00 H new ATOM 0 HA ASP A 111 12.932 1.931 6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 111 13.660 0.834 8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.266 -0.495 7.475 1.00 0.00 H new ATOM 1673 N ALA A 112 13.562 -1.132 5.083 1.00 0.00 N ATOM 1674 CA ALA A 112 14.097 -1.835 3.911 1.00 0.00 C ATOM 1675 C ALA A 112 13.165 -1.734 2.714 1.00 0.00 C ATOM 1676 O ALA A 112 13.609 -1.610 1.569 1.00 0.00 O ATOM 1677 CB ALA A 112 14.419 -3.268 4.243 1.00 0.00 C ATOM 0 H ALA A 112 13.346 -1.732 5.879 1.00 0.00 H new ATOM 0 HA ALA A 112 15.027 -1.341 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 112 14.814 -3.767 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.163 -3.299 5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 112 13.514 -3.777 4.573 1.00 0.00 H new ATOM 1683 N GLN A 113 11.876 -1.715 2.988 1.00 0.00 N ATOM 1684 CA GLN A 113 10.881 -1.575 1.944 1.00 0.00 C ATOM 1685 C GLN A 113 10.980 -0.193 1.352 1.00 0.00 C ATOM 1686 O GLN A 113 10.899 -0.030 0.167 1.00 0.00 O ATOM 1687 CB GLN A 113 9.497 -1.796 2.528 1.00 0.00 C ATOM 1688 CG GLN A 113 8.339 -1.797 1.539 1.00 0.00 C ATOM 1689 CD GLN A 113 7.545 -0.475 1.472 1.00 0.00 C ATOM 1690 OE1 GLN A 113 6.366 -0.500 1.201 1.00 0.00 O ATOM 1691 NE2 GLN A 113 8.160 0.671 1.750 1.00 0.00 N ATOM 0 H GLN A 113 11.492 -1.795 3.929 1.00 0.00 H new ATOM 0 HA GLN A 113 11.055 -2.315 1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.497 -2.750 3.056 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.311 -1.020 3.271 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.728 -2.022 0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.654 -2.603 1.803 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.155 0.674 1.976 1.00 0.00 H new ATOM 0 HE22 GLN A 113 7.637 1.547 1.737 1.00 0.00 H new ATOM 1700 N MET A 114 11.180 0.795 2.214 1.00 0.00 N ATOM 1701 CA MET A 114 11.279 2.202 1.831 1.00 0.00 C ATOM 1702 C MET A 114 12.556 2.474 1.039 1.00 0.00 C ATOM 1703 O MET A 114 12.687 3.510 0.387 1.00 0.00 O ATOM 1704 CB MET A 114 11.195 3.067 3.096 1.00 0.00 C ATOM 1705 CG MET A 114 11.422 4.553 2.913 1.00 0.00 C ATOM 1706 SD MET A 114 11.168 5.454 4.450 1.00 0.00 S ATOM 1707 CE MET A 114 11.766 7.078 4.042 1.00 0.00 C ATOM 0 H MET A 114 11.280 0.641 3.217 1.00 0.00 H new ATOM 0 HA MET A 114 10.450 2.459 1.172 1.00 0.00 H new ATOM 0 HB2 MET A 114 10.211 2.924 3.542 1.00 0.00 H new ATOM 0 HB3 MET A 114 11.927 2.695 3.813 1.00 0.00 H new ATOM 0 HG2 MET A 114 12.436 4.725 2.552 1.00 0.00 H new ATOM 0 HG3 MET A 114 10.743 4.934 2.150 1.00 0.00 H new ATOM 0 HE1 MET A 114 11.224 7.822 4.625 1.00 0.00 H new ATOM 0 HE2 MET A 114 12.830 7.142 4.271 1.00 0.00 H new ATOM 0 HE3 MET A 114 11.612 7.266 2.980 1.00 0.00 H new ATOM 1717 N GLN A 115 13.492 1.542 1.073 1.00 0.00 N ATOM 1718 CA GLN A 115 14.685 1.700 0.265 1.00 0.00 C ATOM 1719 C GLN A 115 14.386 1.144 -1.102 1.00 0.00 C ATOM 1720 O GLN A 115 15.074 1.457 -2.079 1.00 0.00 O ATOM 1721 CB GLN A 115 15.935 1.001 0.856 1.00 0.00 C ATOM 1722 CG GLN A 115 16.289 1.380 2.303 1.00 0.00 C ATOM 1723 CD GLN A 115 15.955 2.827 2.650 1.00 0.00 C ATOM 1724 OE1 GLN A 115 16.742 3.735 2.430 1.00 0.00 O ATOM 1725 NE2 GLN A 115 14.814 3.021 3.260 1.00 0.00 N ATOM 0 H GLN A 115 13.452 0.691 1.635 1.00 0.00 H new ATOM 0 HA GLN A 115 14.930 2.761 0.230 1.00 0.00 H new ATOM 0 HB2 GLN A 115 15.782 -0.077 0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 115 16.791 1.229 0.220 1.00 0.00 H new ATOM 0 HG2 GLN A 115 15.755 0.718 2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 115 17.354 1.212 2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 115 14.184 2.236 3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 115 14.554 3.957 3.571 1.00 0.00 H new ATOM 1734 N TYR A 116 13.324 0.320 -1.149 1.00 0.00 N ATOM 1735 CA TYR A 116 12.797 -0.336 -2.315 1.00 0.00 C ATOM 1736 C TYR A 116 13.794 -1.175 -3.100 1.00 0.00 C ATOM 1737 O TYR A 116 14.985 -1.316 -2.771 1.00 0.00 O ATOM 1738 CB TYR A 116 12.083 0.643 -3.270 1.00 0.00 C ATOM 1739 CG TYR A 116 10.911 1.356 -2.663 1.00 0.00 C ATOM 1740 CD1 TYR A 116 9.658 0.775 -2.646 1.00 0.00 C ATOM 1741 CD2 TYR A 116 11.061 2.600 -2.110 1.00 0.00 C ATOM 1742 CE1 TYR A 116 8.585 1.437 -2.087 1.00 0.00 C ATOM 1743 CE2 TYR A 116 10.003 3.259 -1.554 1.00 0.00 C ATOM 1744 CZ TYR A 116 8.777 2.681 -1.545 1.00 0.00 C ATOM 1745 OH TYR A 116 7.733 3.360 -0.984 1.00 0.00 O ATOM 0 H TYR A 116 12.791 0.093 -0.309 1.00 0.00 H new ATOM 0 HA TYR A 116 12.073 -1.034 -1.895 1.00 0.00 H new ATOM 0 HB2 TYR A 116 12.804 1.384 -3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 116 11.744 0.093 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 116 9.517 -0.206 -3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 116 12.034 3.068 -2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 116 7.606 0.981 -2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 116 10.142 4.239 -1.122 1.00 0.00 H new ATOM 0 HH TYR A 116 7.131 2.726 -0.542 1.00 0.00 H new ATOM 1755 N ASP A 117 13.226 -1.768 -4.078 1.00 0.00 N ATOM 1756 CA ASP A 117 13.846 -2.521 -5.148 1.00 0.00 C ATOM 1757 C ASP A 117 12.866 -2.447 -6.277 1.00 0.00 C ATOM 1758 O ASP A 117 11.663 -2.510 -6.014 1.00 0.00 O ATOM 1759 CB ASP A 117 14.088 -4.014 -4.808 1.00 0.00 C ATOM 1760 CG ASP A 117 15.262 -4.282 -3.893 1.00 0.00 C ATOM 1761 OD1 ASP A 117 16.411 -4.168 -4.343 1.00 0.00 O ATOM 1762 OD2 ASP A 117 15.063 -4.648 -2.705 1.00 0.00 O ATOM 0 H ASP A 117 12.211 -1.748 -4.178 1.00 0.00 H new ATOM 0 HA ASP A 117 14.829 -2.103 -5.365 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.187 -4.416 -4.344 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.239 -4.562 -5.738 1.00 0.00 H new ATOM 1767 N PRO A 118 13.323 -2.297 -7.525 1.00 0.00 N ATOM 1768 CA PRO A 118 12.436 -2.176 -8.711 1.00 0.00 C ATOM 1769 C PRO A 118 11.356 -3.286 -8.798 1.00 0.00 C ATOM 1770 O PRO A 118 10.178 -3.012 -9.073 1.00 0.00 O ATOM 1771 CB PRO A 118 13.410 -2.295 -9.882 1.00 0.00 C ATOM 1772 CG PRO A 118 14.701 -1.782 -9.357 1.00 0.00 C ATOM 1773 CD PRO A 118 14.758 -2.183 -7.909 1.00 0.00 C ATOM 0 HA PRO A 118 11.865 -1.248 -8.685 1.00 0.00 H new ATOM 0 HB2 PRO A 118 13.502 -3.328 -10.216 1.00 0.00 H new ATOM 0 HB3 PRO A 118 13.072 -1.712 -10.738 1.00 0.00 H new ATOM 0 HG2 PRO A 118 15.540 -2.203 -9.910 1.00 0.00 H new ATOM 0 HG3 PRO A 118 14.761 -0.699 -9.463 1.00 0.00 H new ATOM 0 HD2 PRO A 118 15.286 -3.127 -7.774 1.00 0.00 H new ATOM 0 HD3 PRO A 118 15.277 -1.438 -7.306 1.00 0.00 H new ATOM 1781 N GLY A 119 11.727 -4.485 -8.427 1.00 0.00 N ATOM 1782 CA GLY A 119 10.826 -5.617 -8.549 1.00 0.00 C ATOM 1783 C GLY A 119 10.015 -5.771 -7.286 1.00 0.00 C ATOM 1784 O GLY A 119 8.978 -6.420 -7.262 1.00 0.00 O ATOM 0 H GLY A 119 12.643 -4.709 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.162 -5.474 -9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.396 -6.527 -8.738 1.00 0.00 H new ATOM 1788 N LEU A 120 10.467 -5.111 -6.259 1.00 0.00 N ATOM 1789 CA LEU A 120 9.791 -5.180 -4.994 1.00 0.00 C ATOM 1790 C LEU A 120 8.706 -4.137 -4.994 1.00 0.00 C ATOM 1791 O LEU A 120 7.589 -4.435 -4.665 1.00 0.00 O ATOM 1792 CB LEU A 120 10.735 -4.977 -3.813 1.00 0.00 C ATOM 1793 CG LEU A 120 10.097 -5.101 -2.420 1.00 0.00 C ATOM 1794 CD1 LEU A 120 9.578 -6.506 -2.186 1.00 0.00 C ATOM 1795 CD2 LEU A 120 11.090 -4.703 -1.350 1.00 0.00 C ATOM 0 H LEU A 120 11.298 -4.520 -6.271 1.00 0.00 H new ATOM 0 HA LEU A 120 9.370 -6.178 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 120 11.543 -5.705 -3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 120 11.187 -3.989 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 120 9.247 -4.421 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.131 -6.568 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 120 8.826 -6.746 -2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 120 10.403 -7.215 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 120 10.624 -4.796 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 120 11.961 -5.356 -1.401 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.401 -3.670 -1.508 1.00 0.00 H new ATOM 1807 N PHE A 121 9.055 -2.905 -5.409 1.00 0.00 N ATOM 1808 CA PHE A 121 8.095 -1.816 -5.553 1.00 0.00 C ATOM 1809 C PHE A 121 6.947 -2.225 -6.497 1.00 0.00 C ATOM 1810 O PHE A 121 5.780 -2.045 -6.177 1.00 0.00 O ATOM 1811 CB PHE A 121 8.774 -0.522 -6.066 1.00 0.00 C ATOM 1812 CG PHE A 121 7.794 0.610 -6.316 1.00 0.00 C ATOM 1813 CD1 PHE A 121 7.049 1.160 -5.272 1.00 0.00 C ATOM 1814 CD2 PHE A 121 7.596 1.098 -7.600 1.00 0.00 C ATOM 1815 CE1 PHE A 121 6.136 2.165 -5.510 1.00 0.00 C ATOM 1816 CE2 PHE A 121 6.685 2.097 -7.841 1.00 0.00 C ATOM 1817 CZ PHE A 121 5.954 2.634 -6.797 1.00 0.00 C ATOM 0 H PHE A 121 10.011 -2.646 -5.651 1.00 0.00 H new ATOM 0 HA PHE A 121 7.684 -1.610 -4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 121 9.517 -0.196 -5.338 1.00 0.00 H new ATOM 0 HB3 PHE A 121 9.308 -0.742 -6.990 1.00 0.00 H new ATOM 0 HD1 PHE A 121 7.189 0.794 -4.266 1.00 0.00 H new ATOM 0 HD2 PHE A 121 8.166 0.687 -8.420 1.00 0.00 H new ATOM 0 HE1 PHE A 121 5.566 2.584 -4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.539 2.464 -8.846 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.240 3.421 -6.988 1.00 0.00 H new ATOM 1827 N ALA A 122 7.296 -2.812 -7.644 1.00 0.00 N ATOM 1828 CA ALA A 122 6.295 -3.249 -8.612 1.00 0.00 C ATOM 1829 C ALA A 122 5.374 -4.298 -8.003 1.00 0.00 C ATOM 1830 O ALA A 122 4.148 -4.198 -8.105 1.00 0.00 O ATOM 1831 CB ALA A 122 6.976 -3.809 -9.849 1.00 0.00 C ATOM 0 H ALA A 122 8.260 -2.994 -7.922 1.00 0.00 H new ATOM 0 HA ALA A 122 5.692 -2.386 -8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 122 6.221 -4.132 -10.565 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.599 -3.038 -10.302 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.598 -4.659 -9.569 1.00 0.00 H new ATOM 1837 N GLN A 123 5.968 -5.281 -7.333 1.00 0.00 N ATOM 1838 CA GLN A 123 5.214 -6.354 -6.755 1.00 0.00 C ATOM 1839 C GLN A 123 4.332 -5.858 -5.603 1.00 0.00 C ATOM 1840 O GLN A 123 3.158 -6.230 -5.515 1.00 0.00 O ATOM 1841 CB GLN A 123 6.152 -7.461 -6.278 1.00 0.00 C ATOM 1842 CG GLN A 123 5.457 -8.752 -5.930 1.00 0.00 C ATOM 1843 CD GLN A 123 4.714 -9.351 -7.122 1.00 0.00 C ATOM 1844 OE1 GLN A 123 5.267 -10.138 -7.901 1.00 0.00 O ATOM 1845 NE2 GLN A 123 3.466 -8.984 -7.274 1.00 0.00 N ATOM 0 H GLN A 123 6.975 -5.344 -7.184 1.00 0.00 H new ATOM 0 HA GLN A 123 4.556 -6.759 -7.524 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.890 -7.657 -7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.697 -7.108 -5.403 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.191 -9.470 -5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.752 -8.575 -5.117 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.042 -8.333 -6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 123 2.918 -9.349 -8.053 1.00 0.00 H new ATOM 1854 N ILE A 124 4.882 -5.004 -4.749 1.00 0.00 N ATOM 1855 CA ILE A 124 4.142 -4.496 -3.604 1.00 0.00 C ATOM 1856 C ILE A 124 3.020 -3.582 -4.026 1.00 0.00 C ATOM 1857 O ILE A 124 1.931 -3.652 -3.465 1.00 0.00 O ATOM 1858 CB ILE A 124 5.040 -3.828 -2.499 1.00 0.00 C ATOM 1859 CG1 ILE A 124 5.753 -2.589 -3.015 1.00 0.00 C ATOM 1860 CG2 ILE A 124 6.054 -4.824 -1.960 1.00 0.00 C ATOM 1861 CD1 ILE A 124 6.532 -1.834 -1.964 1.00 0.00 C ATOM 0 H ILE A 124 5.835 -4.650 -4.828 1.00 0.00 H new ATOM 0 HA ILE A 124 3.708 -5.378 -3.133 1.00 0.00 H new ATOM 0 HB ILE A 124 4.376 -3.517 -1.692 1.00 0.00 H new ATOM 0 HG12 ILE A 124 6.434 -2.883 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.016 -1.918 -3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 124 6.666 -4.343 -1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 124 5.531 -5.675 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 124 6.693 -5.169 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 124 7.009 -0.965 -2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 124 5.855 -1.505 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 124 7.295 -2.486 -1.539 1.00 0.00 H new ATOM 1873 N GLN A 125 3.254 -2.774 -5.047 1.00 0.00 N ATOM 1874 CA GLN A 125 2.233 -1.867 -5.524 1.00 0.00 C ATOM 1875 C GLN A 125 1.061 -2.641 -6.099 1.00 0.00 C ATOM 1876 O GLN A 125 -0.113 -2.400 -5.737 1.00 0.00 O ATOM 1877 CB GLN A 125 2.751 -0.923 -6.600 1.00 0.00 C ATOM 1878 CG GLN A 125 1.712 0.109 -6.957 1.00 0.00 C ATOM 1879 CD GLN A 125 2.041 0.949 -8.160 1.00 0.00 C ATOM 1880 OE1 GLN A 125 3.193 1.170 -8.506 1.00 0.00 O ATOM 1881 NE2 GLN A 125 1.025 1.478 -8.766 1.00 0.00 N ATOM 0 H GLN A 125 4.137 -2.730 -5.556 1.00 0.00 H new ATOM 0 HA GLN A 125 1.921 -1.278 -4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 125 3.656 -0.427 -6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 125 3.024 -1.493 -7.488 1.00 0.00 H new ATOM 0 HG2 GLN A 125 0.763 -0.398 -7.134 1.00 0.00 H new ATOM 0 HG3 GLN A 125 1.566 0.768 -6.101 1.00 0.00 H new ATOM 0 HE21 GLN A 125 0.078 1.271 -8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 125 1.173 2.102 -9.560 1.00 0.00 H new ATOM 1890 N ALA A 126 1.384 -3.576 -6.984 1.00 0.00 N ATOM 1891 CA ALA A 126 0.396 -4.375 -7.672 1.00 0.00 C ATOM 1892 C ALA A 126 -0.430 -5.169 -6.683 1.00 0.00 C ATOM 1893 O ALA A 126 -1.666 -5.216 -6.782 1.00 0.00 O ATOM 1894 CB ALA A 126 1.076 -5.316 -8.651 1.00 0.00 C ATOM 0 H ALA A 126 2.346 -3.797 -7.241 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.267 -3.706 -8.221 1.00 0.00 H new ATOM 0 HB1 ALA A 126 0.323 -5.914 -9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 126 1.639 -4.736 -9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 126 1.755 -5.975 -8.110 1.00 0.00 H new ATOM 1900 N ALA A 127 0.254 -5.743 -5.702 1.00 0.00 N ATOM 1901 CA ALA A 127 -0.378 -6.565 -4.703 1.00 0.00 C ATOM 1902 C ALA A 127 -1.276 -5.730 -3.816 1.00 0.00 C ATOM 1903 O ALA A 127 -2.369 -6.174 -3.429 1.00 0.00 O ATOM 1904 CB ALA A 127 0.670 -7.269 -3.871 1.00 0.00 C ATOM 0 H ALA A 127 1.263 -5.646 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 127 -0.991 -7.313 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 127 0.182 -7.888 -3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.284 -7.898 -4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.301 -6.529 -3.378 1.00 0.00 H new ATOM 1910 N ALA A 128 -0.833 -4.504 -3.520 1.00 0.00 N ATOM 1911 CA ALA A 128 -1.582 -3.623 -2.668 1.00 0.00 C ATOM 1912 C ALA A 128 -2.921 -3.289 -3.264 1.00 0.00 C ATOM 1913 O ALA A 128 -3.888 -3.694 -2.739 1.00 0.00 O ATOM 1914 CB ALA A 128 -0.812 -2.355 -2.393 1.00 0.00 C ATOM 0 H ALA A 128 0.044 -4.114 -3.866 1.00 0.00 H new ATOM 0 HA ALA A 128 -1.747 -4.147 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.401 -1.705 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.129 -2.600 -1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -0.608 -1.842 -3.333 1.00 0.00 H new ATOM 1920 N THR A 129 -2.959 -2.633 -4.401 1.00 0.00 N ATOM 1921 CA THR A 129 -4.277 -2.230 -4.952 1.00 0.00 C ATOM 1922 C THR A 129 -5.181 -3.449 -5.279 1.00 0.00 C ATOM 1923 O THR A 129 -6.448 -3.378 -5.153 1.00 0.00 O ATOM 1924 CB THR A 129 -4.182 -1.243 -6.159 1.00 0.00 C ATOM 1925 OG1 THR A 129 -5.499 -0.926 -6.658 1.00 0.00 O ATOM 1926 CG2 THR A 129 -3.316 -1.802 -7.286 1.00 0.00 C ATOM 0 H THR A 129 -2.146 -2.367 -4.957 1.00 0.00 H new ATOM 0 HA THR A 129 -4.758 -1.672 -4.148 1.00 0.00 H new ATOM 0 HB THR A 129 -3.707 -0.332 -5.795 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.568 -1.199 -7.597 1.00 0.00 H new ATOM 0 HG21 THR A 129 -3.277 -1.084 -8.105 1.00 0.00 H new ATOM 0 HG22 THR A 129 -2.308 -1.984 -6.914 1.00 0.00 H new ATOM 0 HG23 THR A 129 -3.745 -2.738 -7.644 1.00 0.00 H new ATOM 1934 N LYS A 130 -4.512 -4.576 -5.570 1.00 0.00 N ATOM 1935 CA LYS A 130 -5.164 -5.844 -5.921 1.00 0.00 C ATOM 1936 C LYS A 130 -6.080 -6.181 -4.808 1.00 0.00 C ATOM 1937 O LYS A 130 -7.272 -6.294 -4.987 1.00 0.00 O ATOM 1938 CB LYS A 130 -4.088 -6.917 -6.084 1.00 0.00 C ATOM 1939 CG LYS A 130 -4.563 -8.318 -6.430 1.00 0.00 C ATOM 1940 CD LYS A 130 -3.399 -9.282 -6.398 1.00 0.00 C ATOM 1941 CE LYS A 130 -3.815 -10.688 -6.808 1.00 0.00 C ATOM 1942 NZ LYS A 130 -4.875 -11.249 -5.946 1.00 0.00 N ATOM 0 H LYS A 130 -3.493 -4.631 -5.568 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.723 -5.774 -6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -3.398 -6.591 -6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -3.519 -6.971 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -5.329 -8.636 -5.723 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.021 -8.321 -7.419 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.615 -8.926 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -2.976 -9.307 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -4.164 -10.671 -7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -2.944 -11.343 -6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -4.612 -12.212 -5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -4.989 -10.651 -5.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -5.771 -11.279 -6.473 1.00 0.00 H new ATOM 1956 N ALA A 131 -5.496 -6.299 -3.677 1.00 0.00 N ATOM 1957 CA ALA A 131 -6.143 -6.436 -2.434 1.00 0.00 C ATOM 1958 C ALA A 131 -7.086 -5.288 -2.217 1.00 0.00 C ATOM 1959 O ALA A 131 -8.297 -5.491 -2.208 1.00 0.00 O ATOM 1960 CB ALA A 131 -5.049 -6.391 -1.454 1.00 0.00 C ATOM 0 H ALA A 131 -4.480 -6.302 -3.592 1.00 0.00 H new ATOM 0 HA ALA A 131 -6.733 -7.350 -2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -5.457 -6.491 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.354 -7.209 -1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -4.523 -5.440 -1.539 1.00 0.00 H new ATOM 1966 N TRP A 132 -6.536 -4.075 -2.184 1.00 0.00 N ATOM 1967 CA TRP A 132 -7.238 -2.853 -1.791 1.00 0.00 C ATOM 1968 C TRP A 132 -8.315 -2.372 -2.788 1.00 0.00 C ATOM 1969 O TRP A 132 -8.573 -1.184 -2.921 1.00 0.00 O ATOM 1970 CB TRP A 132 -6.294 -1.683 -1.461 1.00 0.00 C ATOM 1971 CG TRP A 132 -5.304 -1.963 -0.373 1.00 0.00 C ATOM 1972 CD1 TRP A 132 -4.777 -3.151 -0.112 1.00 0.00 C ATOM 1973 CD2 TRP A 132 -4.720 -1.062 0.585 1.00 0.00 C ATOM 1974 NE1 TRP A 132 -3.837 -3.085 0.793 1.00 0.00 N ATOM 1975 CE2 TRP A 132 -3.770 -1.817 1.279 1.00 0.00 C ATOM 1976 CE3 TRP A 132 -4.856 0.301 0.915 1.00 0.00 C ATOM 1977 CZ2 TRP A 132 -2.966 -1.277 2.247 1.00 0.00 C ATOM 1978 CZ3 TRP A 132 -4.059 0.809 1.890 1.00 0.00 C ATOM 1979 CH2 TRP A 132 -3.125 0.022 2.528 1.00 0.00 C ATOM 0 H TRP A 132 -5.562 -3.910 -2.437 1.00 0.00 H new ATOM 0 HA TRP A 132 -7.753 -3.160 -0.881 1.00 0.00 H new ATOM 0 HB2 TRP A 132 -5.751 -1.407 -2.365 1.00 0.00 H new ATOM 0 HB3 TRP A 132 -6.894 -0.820 -1.173 1.00 0.00 H new ATOM 0 HD1 TRP A 132 -5.088 -4.067 -0.592 1.00 0.00 H new ATOM 0 HE1 TRP A 132 -3.246 -3.862 1.088 1.00 0.00 H new ATOM 0 HE3 TRP A 132 -5.575 0.925 0.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 -2.231 -1.876 2.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 -4.159 1.847 2.170 1.00 0.00 H new ATOM 0 HH2 TRP A 132 -2.497 0.470 3.284 1.00 0.00 H new ATOM 1990 N ARG A 133 -8.878 -3.255 -3.510 1.00 0.00 N ATOM 1991 CA ARG A 133 -10.028 -2.944 -4.289 1.00 0.00 C ATOM 1992 C ARG A 133 -11.365 -3.671 -3.907 1.00 0.00 C ATOM 1993 O ARG A 133 -12.404 -3.019 -3.848 1.00 0.00 O ATOM 1994 CB ARG A 133 -9.695 -2.970 -5.800 1.00 0.00 C ATOM 1995 CG ARG A 133 -10.878 -2.885 -6.784 1.00 0.00 C ATOM 1996 CD ARG A 133 -11.679 -4.177 -6.847 1.00 0.00 C ATOM 1997 NE ARG A 133 -13.129 -3.969 -6.521 1.00 0.00 N ATOM 1998 CZ ARG A 133 -14.128 -4.766 -6.918 1.00 0.00 C ATOM 1999 NH1 ARG A 133 -13.989 -5.538 -7.985 1.00 0.00 N ATOM 2000 NH2 ARG A 133 -15.291 -4.735 -6.281 1.00 0.00 N ATOM 0 H ARG A 133 -8.561 -4.222 -3.585 1.00 0.00 H new ATOM 0 HA ARG A 133 -10.279 -1.919 -4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -9.020 -2.141 -6.011 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -9.147 -3.889 -6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -11.535 -2.068 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -10.502 -2.646 -7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -11.592 -4.607 -7.845 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -11.253 -4.899 -6.151 1.00 0.00 H new ATOM 0 HE ARG A 133 -13.372 -3.157 -5.953 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -13.115 -5.528 -8.511 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -14.756 -6.142 -8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -15.423 -4.104 -5.490 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -16.054 -5.342 -6.582 1.00 0.00 H new ATOM 2014 N LYS A 134 -11.313 -4.992 -3.659 1.00 0.00 N ATOM 2015 CA LYS A 134 -12.526 -5.930 -3.742 1.00 0.00 C ATOM 2016 C LYS A 134 -13.753 -5.739 -2.833 1.00 0.00 C ATOM 2017 O LYS A 134 -14.381 -6.722 -2.450 1.00 0.00 O ATOM 2018 CB LYS A 134 -12.160 -7.408 -3.737 1.00 0.00 C ATOM 2019 CG LYS A 134 -11.676 -7.971 -5.043 1.00 0.00 C ATOM 2020 CD LYS A 134 -10.242 -7.657 -5.313 1.00 0.00 C ATOM 2021 CE LYS A 134 -9.336 -8.259 -4.255 1.00 0.00 C ATOM 2022 NZ LYS A 134 -8.104 -8.816 -4.859 1.00 0.00 N ATOM 0 H LYS A 134 -10.451 -5.470 -3.395 1.00 0.00 H new ATOM 0 HA LYS A 134 -12.875 -5.577 -4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -11.386 -7.568 -2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -13.034 -7.977 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -11.812 -9.052 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -12.289 -7.575 -5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -9.962 -8.040 -6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -10.103 -6.576 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -9.072 -7.497 -3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -9.869 -9.045 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -7.445 -9.098 -4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -8.345 -9.647 -5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -7.656 -8.095 -5.460 1.00 0.00 H new ATOM 2036 N LEU A 135 -14.160 -4.574 -2.564 1.00 0.00 N ATOM 2037 CA LEU A 135 -15.346 -4.418 -1.734 1.00 0.00 C ATOM 2038 C LEU A 135 -16.631 -4.526 -2.583 1.00 0.00 C ATOM 2039 O LEU A 135 -16.718 -3.939 -3.663 1.00 0.00 O ATOM 2040 CB LEU A 135 -15.292 -3.124 -0.913 1.00 0.00 C ATOM 2041 CG LEU A 135 -14.571 -3.180 0.456 1.00 0.00 C ATOM 2042 CD1 LEU A 135 -13.306 -3.988 0.392 1.00 0.00 C ATOM 2043 CD2 LEU A 135 -14.216 -1.776 0.893 1.00 0.00 C ATOM 0 H LEU A 135 -13.725 -3.708 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 135 -15.368 -5.237 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -14.805 -2.360 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -16.315 -2.791 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 135 -15.250 -3.654 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -12.832 -4.001 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -13.541 -5.008 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -12.626 -3.542 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -13.708 -1.812 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -13.558 -1.320 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -15.126 -1.182 0.984 1.00 0.00 H new ATOM 2055 N PRO A 136 -17.610 -5.355 -2.164 1.00 0.00 N ATOM 2056 CA PRO A 136 -18.867 -5.506 -2.890 1.00 0.00 C ATOM 2057 C PRO A 136 -19.879 -4.393 -2.576 1.00 0.00 C ATOM 2058 O PRO A 136 -20.335 -3.688 -3.469 1.00 0.00 O ATOM 2059 CB PRO A 136 -19.415 -6.866 -2.405 1.00 0.00 C ATOM 2060 CG PRO A 136 -18.352 -7.426 -1.518 1.00 0.00 C ATOM 2061 CD PRO A 136 -17.562 -6.257 -1.021 1.00 0.00 C ATOM 0 HA PRO A 136 -18.706 -5.450 -3.967 1.00 0.00 H new ATOM 0 HB2 PRO A 136 -20.353 -6.742 -1.864 1.00 0.00 H new ATOM 0 HB3 PRO A 136 -19.617 -7.531 -3.245 1.00 0.00 H new ATOM 0 HG2 PRO A 136 -18.790 -7.980 -0.688 1.00 0.00 H new ATOM 0 HG3 PRO A 136 -17.715 -8.121 -2.065 1.00 0.00 H new ATOM 0 HD2 PRO A 136 -18.007 -5.812 -0.131 1.00 0.00 H new ATOM 0 HD3 PRO A 136 -16.540 -6.535 -0.762 1.00 0.00 H new ATOM 2069 N VAL A 137 -20.220 -4.243 -1.309 1.00 0.00 N ATOM 2070 CA VAL A 137 -21.208 -3.269 -0.867 1.00 0.00 C ATOM 2071 C VAL A 137 -20.636 -2.476 0.284 1.00 0.00 C ATOM 2072 O VAL A 137 -19.803 -2.993 1.041 1.00 0.00 O ATOM 2073 CB VAL A 137 -22.555 -3.972 -0.402 1.00 0.00 C ATOM 2074 CG1 VAL A 137 -23.586 -2.959 0.108 1.00 0.00 C ATOM 2075 CG2 VAL A 137 -23.168 -4.785 -1.535 1.00 0.00 C ATOM 0 H VAL A 137 -19.818 -4.795 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 137 -21.442 -2.614 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 137 -22.290 -4.637 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -24.491 -3.484 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -23.174 -2.418 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -23.828 -2.254 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -24.089 -5.255 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -23.390 -4.128 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -22.465 -5.555 -1.852 1.00 0.00 H new ATOM 2085 N LYS A 138 -21.060 -1.241 0.402 1.00 0.00 N ATOM 2086 CA LYS A 138 -20.725 -0.401 1.498 1.00 0.00 C ATOM 2087 C LYS A 138 -22.007 0.218 2.002 1.00 0.00 C ATOM 2088 O LYS A 138 -22.997 0.334 1.241 1.00 0.00 O ATOM 2089 CB LYS A 138 -19.631 0.656 1.163 1.00 0.00 C ATOM 2090 CG LYS A 138 -19.876 1.537 -0.060 1.00 0.00 C ATOM 2091 CD LYS A 138 -21.035 2.497 0.083 1.00 0.00 C ATOM 2092 CE LYS A 138 -21.284 3.185 -1.229 1.00 0.00 C ATOM 2093 NZ LYS A 138 -22.374 4.171 -1.155 1.00 0.00 N ATOM 0 H LYS A 138 -21.663 -0.792 -0.287 1.00 0.00 H new ATOM 0 HA LYS A 138 -20.265 -1.000 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -19.509 1.305 2.030 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -18.685 0.133 1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -18.971 2.108 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -20.055 0.897 -0.924 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -21.929 1.959 0.399 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -20.817 3.234 0.856 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -20.370 3.683 -1.553 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -21.525 2.439 -1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -22.362 4.767 -2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -23.286 3.676 -1.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -22.245 4.768 -0.313 1.00 0.00 H new ATOM 2107 N GLY A 139 -22.015 0.576 3.216 1.00 0.00 N ATOM 2108 CA GLY A 139 -23.164 1.155 3.801 1.00 0.00 C ATOM 2109 C GLY A 139 -23.551 0.404 5.013 1.00 0.00 C ATOM 2110 O GLY A 139 -23.363 -0.807 5.080 1.00 0.00 O ATOM 0 H GLY A 139 -21.220 0.478 3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -22.966 2.196 4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -23.986 1.153 3.085 1.00 0.00 H new ATOM 2114 N ASP A 140 -24.062 1.093 5.965 1.00 0.00 N ATOM 2115 CA ASP A 140 -24.486 0.501 7.229 1.00 0.00 C ATOM 2116 C ASP A 140 -25.845 0.993 7.551 1.00 0.00 C ATOM 2117 O ASP A 140 -26.809 0.258 7.337 1.00 0.00 O ATOM 2118 CB ASP A 140 -23.536 0.818 8.404 1.00 0.00 C ATOM 2119 CG ASP A 140 -22.189 0.166 8.295 1.00 0.00 C ATOM 2120 OD1 ASP A 140 -22.041 -1.000 8.691 1.00 0.00 O ATOM 2121 OD2 ASP A 140 -21.235 0.816 7.823 1.00 0.00 O ATOM 2122 OXT ASP A 140 -25.976 2.160 7.969 1.00 0.00 O ATOM 0 H ASP A 140 -24.210 2.101 5.911 1.00 0.00 H new ATOM 0 HA ASP A 140 -24.472 -0.581 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -23.401 1.898 8.467 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -24.007 0.501 9.334 1.00 0.00 H new TER 2127 ASP A 140