USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 706 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 96 SER OG : rot -114:sc= 0.229 USER MOD Set 1.2: A 98 SER OG : rot 180:sc= 0.22 USER MOD Set 2.1: A 52 TYR OH : rot 15:sc= 0 USER MOD Set 2.2: A 74 GLN : amide:sc= -8.4! C(o=-8.4!,f=-6.6!) USER MOD Set 3.1: A 15 CYS SG : rot -44:sc= -1.62! USER MOD Set 3.2: A 32 CYS SG : rot -92:sc= -2.23! USER MOD Set 4.1: A 23 TYR OH : rot 176:sc= 0.738 USER MOD Set 4.2: A 87 TYR OH : rot 30:sc= 0.667 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.791 K(o=-0.79,f=-0.09) USER MOD Single : A 9 ASN : amide:sc=-0.00978 X(o=-0.0098,f=-0.32) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0914 USER MOD Single : A 14 GLN : amide:sc= -0.0223 K(o=-0.022,f=-2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -14.6! C(o=-15!,f=-8.8!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc=-0.00283 K(o=-0.0028,f=-1.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -28:sc= -0.0714 USER MOD Single : A 26 ASN : amide:sc= -2.72! K(o=-2.7!,f=-1.5) USER MOD Single : A 27 SER OG : rot -34:sc= -0.154 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 166:sc= -0.028 (180deg=-0.703) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 143:sc= 0.934 (180deg=0.333) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.346 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.27) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -2.92 K(o=-2.9,f=-5.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.481 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.57 K(o=-1.6,f=-16!) USER MOD Single : A 72 THR OG1 : rot 49:sc= 0.388! USER MOD Single : A 73 ASN : amide:sc= -1.23 K(o=-1.2,f=-5.4!) USER MOD Single : A 77 ASN : amide:sc= -0.568 K(o=-0.57,f=-2.3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= -0.0186 (180deg=-0.0186) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.428 USER MOD Single : A 80 ASN : amide:sc= -0.818 K(o=-0.82,f=-2.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.91 K(o=-0.91,f=-0.032) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 40.813 4.255 -0.968 1.00 0.00 N ATOM 2 CA GLY A 1 40.976 4.018 -2.469 1.00 0.00 C ATOM 3 C GLY A 1 42.294 4.285 -3.112 1.00 0.00 C ATOM 4 O GLY A 1 43.107 5.025 -2.598 1.00 0.00 O ATOM 0 H1 GLY A 1 39.840 4.022 -0.683 1.00 0.00 H new ATOM 0 H2 GLY A 1 41.480 3.651 -0.447 1.00 0.00 H new ATOM 0 H3 GLY A 1 41.007 5.253 -0.751 1.00 0.00 H new ATOM 0 HA2 GLY A 1 40.721 2.977 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 1 40.233 4.630 -2.980 1.00 0.00 H new ATOM 10 N GLY A 2 42.544 3.691 -4.250 1.00 0.00 N ATOM 11 CA GLY A 2 43.847 3.916 -4.944 1.00 0.00 C ATOM 12 C GLY A 2 44.860 2.872 -4.470 1.00 0.00 C ATOM 13 O GLY A 2 45.934 2.738 -5.021 1.00 0.00 O ATOM 0 H GLY A 2 41.902 3.060 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 2 43.714 3.846 -6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 2 44.216 4.920 -4.733 1.00 0.00 H new ATOM 17 N SER A 3 44.523 2.132 -3.450 1.00 0.00 N ATOM 18 CA SER A 3 45.463 1.095 -2.938 1.00 0.00 C ATOM 19 C SER A 3 45.732 0.073 -4.045 1.00 0.00 C ATOM 20 O SER A 3 44.860 -0.246 -4.828 1.00 0.00 O ATOM 21 CB SER A 3 44.834 0.391 -1.735 1.00 0.00 C ATOM 22 OG SER A 3 44.441 1.362 -0.776 1.00 0.00 O ATOM 0 H SER A 3 43.637 2.200 -2.949 1.00 0.00 H new ATOM 0 HA SER A 3 46.400 1.563 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 3 43.971 -0.194 -2.052 1.00 0.00 H new ATOM 0 HB3 SER A 3 45.546 -0.306 -1.293 1.00 0.00 H new ATOM 0 HG SER A 3 44.036 0.914 -0.004 1.00 0.00 H new ATOM 28 N GLY A 4 46.928 -0.443 -4.121 1.00 0.00 N ATOM 29 CA GLY A 4 47.232 -1.443 -5.185 1.00 0.00 C ATOM 30 C GLY A 4 48.702 -1.858 -5.106 1.00 0.00 C ATOM 31 O GLY A 4 49.029 -2.924 -4.623 1.00 0.00 O ATOM 0 H GLY A 4 47.703 -0.218 -3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 4 46.592 -2.317 -5.068 1.00 0.00 H new ATOM 0 HA3 GLY A 4 47.017 -1.020 -6.166 1.00 0.00 H new ATOM 35 N TRP A 5 49.593 -1.029 -5.579 1.00 0.00 N ATOM 36 CA TRP A 5 51.037 -1.389 -5.525 1.00 0.00 C ATOM 37 C TRP A 5 51.464 -1.593 -4.084 1.00 0.00 C ATOM 38 O TRP A 5 51.104 -0.846 -3.196 1.00 0.00 O ATOM 39 CB TRP A 5 51.888 -0.281 -6.172 1.00 0.00 C ATOM 40 CG TRP A 5 53.305 -0.353 -5.667 1.00 0.00 C ATOM 41 CD1 TRP A 5 54.258 -1.207 -6.108 1.00 0.00 C ATOM 42 CD2 TRP A 5 53.921 0.429 -4.604 1.00 0.00 C ATOM 43 NE1 TRP A 5 55.427 -0.976 -5.405 1.00 0.00 N ATOM 44 CE2 TRP A 5 55.268 0.021 -4.466 1.00 0.00 C ATOM 45 CE3 TRP A 5 53.448 1.449 -3.763 1.00 0.00 C ATOM 46 CZ2 TRP A 5 56.115 0.606 -3.524 1.00 0.00 C ATOM 47 CZ3 TRP A 5 54.297 2.039 -2.812 1.00 0.00 C ATOM 48 CH2 TRP A 5 55.628 1.619 -2.694 1.00 0.00 C ATOM 0 H TRP A 5 49.384 -0.123 -5.998 1.00 0.00 H new ATOM 0 HA TRP A 5 51.189 -2.316 -6.078 1.00 0.00 H new ATOM 0 HB2 TRP A 5 51.875 -0.388 -7.257 1.00 0.00 H new ATOM 0 HB3 TRP A 5 51.462 0.696 -5.943 1.00 0.00 H new ATOM 0 HD1 TRP A 5 54.127 -1.948 -6.883 1.00 0.00 H new ATOM 0 HE1 TRP A 5 56.299 -1.481 -5.562 1.00 0.00 H new ATOM 0 HE3 TRP A 5 52.424 1.782 -3.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 57.140 0.278 -3.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 53.921 2.821 -2.168 1.00 0.00 H new ATOM 0 HH2 TRP A 5 56.277 2.078 -1.963 1.00 0.00 H new ATOM 59 N ASN A 6 52.278 -2.588 -3.872 1.00 0.00 N ATOM 60 CA ASN A 6 52.812 -2.860 -2.517 1.00 0.00 C ATOM 61 C ASN A 6 54.318 -3.101 -2.628 1.00 0.00 C ATOM 62 O ASN A 6 54.765 -3.951 -3.372 1.00 0.00 O ATOM 63 CB ASN A 6 52.121 -4.088 -1.925 1.00 0.00 C ATOM 64 CG ASN A 6 50.690 -3.718 -1.530 1.00 0.00 C ATOM 65 OD1 ASN A 6 49.761 -4.448 -1.807 1.00 0.00 O ATOM 66 ND2 ASN A 6 50.475 -2.600 -0.889 1.00 0.00 N ATOM 0 H ASN A 6 52.599 -3.232 -4.595 1.00 0.00 H new ATOM 0 HA ASN A 6 52.624 -2.010 -1.861 1.00 0.00 H new ATOM 0 HB2 ASN A 6 52.112 -4.901 -2.651 1.00 0.00 H new ATOM 0 HB3 ASN A 6 52.671 -4.445 -1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 6 49.526 -2.340 -0.621 1.00 0.00 H new ATOM 0 HD22 ASN A 6 51.256 -1.987 -0.657 1.00 0.00 H new ATOM 73 N ALA A 7 55.108 -2.372 -1.889 1.00 0.00 N ATOM 74 CA ALA A 7 56.583 -2.578 -1.951 1.00 0.00 C ATOM 75 C ALA A 7 56.907 -3.987 -1.451 1.00 0.00 C ATOM 76 O ALA A 7 58.055 -4.358 -1.296 1.00 0.00 O ATOM 77 CB ALA A 7 57.282 -1.543 -1.062 1.00 0.00 C ATOM 0 H ALA A 7 54.797 -1.644 -1.246 1.00 0.00 H new ATOM 0 HA ALA A 7 56.931 -2.461 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 7 58.361 -1.694 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 7 57.041 -0.540 -1.413 1.00 0.00 H new ATOM 0 HB3 ALA A 7 56.942 -1.659 -0.033 1.00 0.00 H new ATOM 83 N ASP A 8 55.898 -4.769 -1.178 1.00 0.00 N ATOM 84 CA ASP A 8 56.129 -6.151 -0.663 1.00 0.00 C ATOM 85 C ASP A 8 56.652 -7.064 -1.777 1.00 0.00 C ATOM 86 O ASP A 8 57.232 -8.099 -1.512 1.00 0.00 O ATOM 87 CB ASP A 8 54.812 -6.717 -0.129 1.00 0.00 C ATOM 88 CG ASP A 8 53.824 -6.894 -1.284 1.00 0.00 C ATOM 89 OD1 ASP A 8 54.023 -6.263 -2.309 1.00 0.00 O ATOM 90 OD2 ASP A 8 52.887 -7.659 -1.124 1.00 0.00 O ATOM 0 H ASP A 8 54.918 -4.509 -1.290 1.00 0.00 H new ATOM 0 HA ASP A 8 56.872 -6.107 0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 8 54.988 -7.674 0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 8 54.394 -6.046 0.621 1.00 0.00 H new ATOM 95 N ASN A 9 56.450 -6.701 -3.018 1.00 0.00 N ATOM 96 CA ASN A 9 56.930 -7.564 -4.145 1.00 0.00 C ATOM 97 C ASN A 9 58.246 -7.017 -4.690 1.00 0.00 C ATOM 98 O ASN A 9 58.750 -7.486 -5.691 1.00 0.00 O ATOM 99 CB ASN A 9 55.890 -7.564 -5.265 1.00 0.00 C ATOM 100 CG ASN A 9 54.617 -8.263 -4.784 1.00 0.00 C ATOM 101 OD1 ASN A 9 53.576 -7.647 -4.675 1.00 0.00 O ATOM 102 ND2 ASN A 9 54.656 -9.535 -4.492 1.00 0.00 N ATOM 0 H ASN A 9 55.974 -5.845 -3.302 1.00 0.00 H new ATOM 0 HA ASN A 9 57.080 -8.579 -3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 9 55.664 -6.541 -5.565 1.00 0.00 H new ATOM 0 HB3 ASN A 9 56.287 -8.073 -6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 9 53.812 -10.011 -4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 9 55.530 -10.053 -4.583 1.00 0.00 H new ATOM 109 N VAL A 10 58.803 -6.023 -4.046 1.00 0.00 N ATOM 110 CA VAL A 10 60.090 -5.430 -4.524 1.00 0.00 C ATOM 111 C VAL A 10 61.159 -5.568 -3.443 1.00 0.00 C ATOM 112 O VAL A 10 60.954 -5.193 -2.305 1.00 0.00 O ATOM 113 CB VAL A 10 59.890 -3.943 -4.800 1.00 0.00 C ATOM 114 CG1 VAL A 10 61.156 -3.371 -5.434 1.00 0.00 C ATOM 115 CG2 VAL A 10 58.717 -3.734 -5.751 1.00 0.00 C ATOM 0 H VAL A 10 58.419 -5.594 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 10 60.401 -5.951 -5.429 1.00 0.00 H new ATOM 0 HB VAL A 10 59.681 -3.435 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 10 61.016 -2.308 -5.632 1.00 0.00 H new ATOM 0 HG12 VAL A 10 61.996 -3.505 -4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 10 61.361 -3.891 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 10 58.586 -2.668 -5.939 1.00 0.00 H new ATOM 0 HG22 VAL A 10 58.916 -4.247 -6.692 1.00 0.00 H new ATOM 0 HG23 VAL A 10 57.809 -4.138 -5.303 1.00 0.00 H new ATOM 125 N ASP A 11 62.312 -6.070 -3.790 1.00 0.00 N ATOM 126 CA ASP A 11 63.402 -6.189 -2.783 1.00 0.00 C ATOM 127 C ASP A 11 64.114 -4.827 -2.691 1.00 0.00 C ATOM 128 O ASP A 11 64.315 -4.176 -3.697 1.00 0.00 O ATOM 129 CB ASP A 11 64.401 -7.258 -3.231 1.00 0.00 C ATOM 130 CG ASP A 11 63.792 -8.647 -3.033 1.00 0.00 C ATOM 131 OD1 ASP A 11 62.714 -8.881 -3.554 1.00 0.00 O ATOM 132 OD2 ASP A 11 64.414 -9.454 -2.362 1.00 0.00 O ATOM 0 H ASP A 11 62.546 -6.402 -4.726 1.00 0.00 H new ATOM 0 HA ASP A 11 62.993 -6.473 -1.813 1.00 0.00 H new ATOM 0 HB2 ASP A 11 64.661 -7.110 -4.279 1.00 0.00 H new ATOM 0 HB3 ASP A 11 65.324 -7.170 -2.658 1.00 0.00 H new ATOM 137 N PRO A 12 64.491 -4.383 -1.513 1.00 0.00 N ATOM 138 CA PRO A 12 65.181 -3.067 -1.351 1.00 0.00 C ATOM 139 C PRO A 12 66.619 -3.102 -1.889 1.00 0.00 C ATOM 140 O PRO A 12 67.196 -2.085 -2.218 1.00 0.00 O ATOM 141 CB PRO A 12 65.162 -2.842 0.167 1.00 0.00 C ATOM 142 CG PRO A 12 65.146 -4.216 0.748 1.00 0.00 C ATOM 143 CD PRO A 12 64.315 -5.064 -0.215 1.00 0.00 C ATOM 0 HA PRO A 12 64.693 -2.269 -1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 12 66.037 -2.282 0.496 1.00 0.00 H new ATOM 0 HB3 PRO A 12 64.285 -2.271 0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 12 66.157 -4.612 0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 12 64.707 -4.214 1.746 1.00 0.00 H new ATOM 0 HD2 PRO A 12 64.669 -6.094 -0.251 1.00 0.00 H new ATOM 0 HD3 PRO A 12 63.267 -5.098 0.082 1.00 0.00 H new ATOM 151 N SER A 13 67.197 -4.269 -1.978 1.00 0.00 N ATOM 152 CA SER A 13 68.592 -4.381 -2.492 1.00 0.00 C ATOM 153 C SER A 13 68.621 -4.054 -3.988 1.00 0.00 C ATOM 154 O SER A 13 69.532 -3.419 -4.479 1.00 0.00 O ATOM 155 CB SER A 13 69.096 -5.808 -2.279 1.00 0.00 C ATOM 156 OG SER A 13 68.411 -6.683 -3.165 1.00 0.00 O ATOM 0 H SER A 13 66.761 -5.153 -1.716 1.00 0.00 H new ATOM 0 HA SER A 13 69.231 -3.679 -1.956 1.00 0.00 H new ATOM 0 HB2 SER A 13 70.170 -5.858 -2.458 1.00 0.00 H new ATOM 0 HB3 SER A 13 68.931 -6.114 -1.246 1.00 0.00 H new ATOM 0 HG SER A 13 68.732 -7.599 -3.033 1.00 0.00 H new ATOM 162 N GLN A 14 67.629 -4.487 -4.714 1.00 0.00 N ATOM 163 CA GLN A 14 67.591 -4.209 -6.178 1.00 0.00 C ATOM 164 C GLN A 14 67.329 -2.718 -6.415 1.00 0.00 C ATOM 165 O GLN A 14 67.672 -2.176 -7.446 1.00 0.00 O ATOM 166 CB GLN A 14 66.478 -5.044 -6.816 1.00 0.00 C ATOM 167 CG GLN A 14 66.410 -4.766 -8.318 1.00 0.00 C ATOM 168 CD GLN A 14 65.472 -5.781 -8.975 1.00 0.00 C ATOM 169 OE1 GLN A 14 65.128 -6.782 -8.377 1.00 0.00 O ATOM 170 NE2 GLN A 14 65.032 -5.562 -10.185 1.00 0.00 N ATOM 0 H GLN A 14 66.839 -5.024 -4.356 1.00 0.00 H new ATOM 0 HA GLN A 14 68.548 -4.473 -6.628 1.00 0.00 H new ATOM 0 HB2 GLN A 14 66.663 -6.104 -6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 14 65.522 -4.806 -6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 14 66.051 -3.752 -8.497 1.00 0.00 H new ATOM 0 HG3 GLN A 14 67.405 -4.834 -8.758 1.00 0.00 H new ATOM 0 HE21 GLN A 14 65.320 -4.723 -10.688 1.00 0.00 H new ATOM 0 HE22 GLN A 14 64.401 -6.230 -10.627 1.00 0.00 H new ATOM 179 N CYS A 15 66.728 -2.053 -5.468 1.00 0.00 N ATOM 180 CA CYS A 15 66.447 -0.599 -5.642 1.00 0.00 C ATOM 181 C CYS A 15 67.764 0.186 -5.635 1.00 0.00 C ATOM 182 O CYS A 15 67.869 1.235 -6.239 1.00 0.00 O ATOM 183 CB CYS A 15 65.545 -0.111 -4.503 1.00 0.00 C ATOM 184 SG CYS A 15 63.831 -0.567 -4.864 1.00 0.00 S ATOM 0 H CYS A 15 66.419 -2.452 -4.582 1.00 0.00 H new ATOM 0 HA CYS A 15 65.941 -0.440 -6.594 1.00 0.00 H new ATOM 0 HB2 CYS A 15 65.860 -0.554 -3.558 1.00 0.00 H new ATOM 0 HB3 CYS A 15 65.631 0.970 -4.393 1.00 0.00 H new ATOM 0 HG CYS A 15 63.569 -0.317 -6.113 1.00 0.00 H new ATOM 189 N ILE A 16 68.768 -0.314 -4.953 1.00 0.00 N ATOM 190 CA ILE A 16 70.087 0.399 -4.895 1.00 0.00 C ATOM 191 C ILE A 16 71.161 -0.473 -5.552 1.00 0.00 C ATOM 192 O ILE A 16 71.186 -1.676 -5.378 1.00 0.00 O ATOM 193 CB ILE A 16 70.457 0.649 -3.423 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.521 -0.702 -2.639 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.400 1.571 -2.795 1.00 0.00 C ATOM 196 CD1 ILE A 16 71.964 -1.009 -2.208 1.00 0.00 C ATOM 0 H ILE A 16 68.731 -1.190 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 16 70.019 1.350 -5.423 1.00 0.00 H new ATOM 0 HB ILE A 16 71.438 1.121 -3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 16 69.877 -0.650 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 16 70.143 -1.510 -3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 16 69.652 1.755 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.376 2.518 -3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.421 1.095 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 16 71.988 -1.953 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.599 -1.083 -3.091 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.329 -0.209 -1.564 1.00 0.00 H new ATOM 208 N LYS A 17 72.042 0.129 -6.317 1.00 0.00 N ATOM 209 CA LYS A 17 73.121 -0.648 -7.010 1.00 0.00 C ATOM 210 C LYS A 17 74.490 -0.182 -6.517 1.00 0.00 C ATOM 211 O LYS A 17 74.683 0.974 -6.182 1.00 0.00 O ATOM 212 CB LYS A 17 73.033 -0.409 -8.519 1.00 0.00 C ATOM 213 CG LYS A 17 71.706 -0.953 -9.052 1.00 0.00 C ATOM 214 CD LYS A 17 71.629 -0.708 -10.561 1.00 0.00 C ATOM 215 CE LYS A 17 70.304 -1.250 -11.100 1.00 0.00 C ATOM 216 NZ LYS A 17 70.165 -0.877 -12.537 1.00 0.00 N ATOM 0 H LYS A 17 72.060 1.134 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 17 72.992 -1.708 -6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.112 0.657 -8.733 1.00 0.00 H new ATOM 0 HB3 LYS A 17 73.866 -0.898 -9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 17 71.626 -2.019 -8.840 1.00 0.00 H new ATOM 0 HG3 LYS A 17 70.871 -0.464 -8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 17 71.710 0.358 -10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.465 -1.196 -11.062 1.00 0.00 H new ATOM 0 HE2 LYS A 17 70.270 -2.334 -10.989 1.00 0.00 H new ATOM 0 HE3 LYS A 17 69.472 -0.844 -10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 69.265 -1.245 -12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 70.180 0.159 -12.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 70.953 -1.285 -13.079 1.00 0.00 H new ATOM 230 N GLN A 18 75.443 -1.078 -6.473 1.00 0.00 N ATOM 231 CA GLN A 18 76.813 -0.710 -6.007 1.00 0.00 C ATOM 232 C GLN A 18 77.716 -0.487 -7.221 1.00 0.00 C ATOM 233 O GLN A 18 77.964 -1.395 -7.991 1.00 0.00 O ATOM 234 CB GLN A 18 77.369 -1.863 -5.159 1.00 0.00 C ATOM 235 CG GLN A 18 78.809 -1.567 -4.721 1.00 0.00 C ATOM 236 CD GLN A 18 78.859 -0.250 -3.946 1.00 0.00 C ATOM 237 OE1 GLN A 18 78.080 -0.033 -3.039 1.00 0.00 O ATOM 238 NE2 GLN A 18 79.753 0.643 -4.264 1.00 0.00 N ATOM 0 H GLN A 18 75.329 -2.055 -6.742 1.00 0.00 H new ATOM 0 HA GLN A 18 76.775 0.203 -5.413 1.00 0.00 H new ATOM 0 HB2 GLN A 18 76.740 -2.012 -4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 18 77.341 -2.790 -5.733 1.00 0.00 H new ATOM 0 HG2 GLN A 18 79.183 -2.380 -4.098 1.00 0.00 H new ATOM 0 HG3 GLN A 18 79.459 -1.510 -5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 18 80.407 0.461 -5.025 1.00 0.00 H new ATOM 0 HE22 GLN A 18 79.799 1.524 -3.752 1.00 0.00 H new ATOM 247 N SER A 19 78.225 0.707 -7.387 1.00 0.00 N ATOM 248 CA SER A 19 79.136 1.001 -8.538 1.00 0.00 C ATOM 249 C SER A 19 80.543 1.223 -7.992 1.00 0.00 C ATOM 250 O SER A 19 80.779 2.125 -7.213 1.00 0.00 O ATOM 251 CB SER A 19 78.660 2.264 -9.257 1.00 0.00 C ATOM 252 OG SER A 19 79.668 2.696 -10.162 1.00 0.00 O ATOM 0 H SER A 19 78.048 1.499 -6.769 1.00 0.00 H new ATOM 0 HA SER A 19 79.133 0.169 -9.243 1.00 0.00 H new ATOM 0 HB2 SER A 19 77.734 2.063 -9.795 1.00 0.00 H new ATOM 0 HB3 SER A 19 78.444 3.049 -8.533 1.00 0.00 H new ATOM 0 HG SER A 19 79.366 3.505 -10.626 1.00 0.00 H new ATOM 258 N GLY A 20 81.480 0.406 -8.382 1.00 0.00 N ATOM 259 CA GLY A 20 82.862 0.578 -7.861 1.00 0.00 C ATOM 260 C GLY A 20 82.819 0.539 -6.332 1.00 0.00 C ATOM 261 O GLY A 20 82.889 -0.513 -5.728 1.00 0.00 O ATOM 0 H GLY A 20 81.350 -0.368 -9.034 1.00 0.00 H new ATOM 0 HA2 GLY A 20 83.510 -0.212 -8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 20 83.280 1.525 -8.203 1.00 0.00 H new ATOM 265 N VAL A 21 82.698 1.681 -5.700 1.00 0.00 N ATOM 266 CA VAL A 21 82.640 1.720 -4.204 1.00 0.00 C ATOM 267 C VAL A 21 81.609 2.764 -3.757 1.00 0.00 C ATOM 268 O VAL A 21 81.748 3.378 -2.718 1.00 0.00 O ATOM 269 CB VAL A 21 84.022 2.083 -3.647 1.00 0.00 C ATOM 270 CG1 VAL A 21 84.126 1.627 -2.190 1.00 0.00 C ATOM 271 CG2 VAL A 21 85.102 1.382 -4.475 1.00 0.00 C ATOM 0 H VAL A 21 82.637 2.591 -6.157 1.00 0.00 H new ATOM 0 HA VAL A 21 82.346 0.741 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 21 84.161 3.163 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 21 85.109 1.886 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 21 83.356 2.122 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 21 83.987 0.547 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 21 86.086 1.638 -4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 21 84.959 0.303 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 21 85.031 1.705 -5.514 1.00 0.00 H new ATOM 281 N GLN A 22 80.582 2.979 -4.542 1.00 0.00 N ATOM 282 CA GLN A 22 79.536 3.994 -4.180 1.00 0.00 C ATOM 283 C GLN A 22 78.144 3.365 -4.235 1.00 0.00 C ATOM 284 O GLN A 22 77.913 2.380 -4.907 1.00 0.00 O ATOM 285 CB GLN A 22 79.599 5.165 -5.170 1.00 0.00 C ATOM 286 CG GLN A 22 80.783 6.065 -4.821 1.00 0.00 C ATOM 287 CD GLN A 22 80.923 7.166 -5.875 1.00 0.00 C ATOM 288 OE1 GLN A 22 80.491 7.006 -6.999 1.00 0.00 O ATOM 289 NE2 GLN A 22 81.511 8.286 -5.554 1.00 0.00 N ATOM 0 H GLN A 22 80.420 2.493 -5.424 1.00 0.00 H new ATOM 0 HA GLN A 22 79.726 4.350 -3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 22 79.702 4.789 -6.188 1.00 0.00 H new ATOM 0 HB3 GLN A 22 78.671 5.736 -5.133 1.00 0.00 H new ATOM 0 HG2 GLN A 22 80.637 6.508 -3.836 1.00 0.00 H new ATOM 0 HG3 GLN A 22 81.699 5.475 -4.773 1.00 0.00 H new ATOM 0 HE21 GLN A 22 81.873 8.419 -4.610 1.00 0.00 H new ATOM 0 HE22 GLN A 22 81.608 9.028 -6.247 1.00 0.00 H new ATOM 298 N TYR A 23 77.210 3.964 -3.539 1.00 0.00 N ATOM 299 CA TYR A 23 75.798 3.463 -3.531 1.00 0.00 C ATOM 300 C TYR A 23 74.898 4.574 -4.072 1.00 0.00 C ATOM 301 O TYR A 23 75.029 5.722 -3.695 1.00 0.00 O ATOM 302 CB TYR A 23 75.368 3.129 -2.092 1.00 0.00 C ATOM 303 CG TYR A 23 75.852 1.749 -1.699 1.00 0.00 C ATOM 304 CD1 TYR A 23 75.331 0.623 -2.347 1.00 0.00 C ATOM 305 CD2 TYR A 23 76.798 1.593 -0.677 1.00 0.00 C ATOM 306 CE1 TYR A 23 75.757 -0.657 -1.979 1.00 0.00 C ATOM 307 CE2 TYR A 23 77.222 0.310 -0.307 1.00 0.00 C ATOM 308 CZ TYR A 23 76.702 -0.814 -0.957 1.00 0.00 C ATOM 309 OH TYR A 23 77.120 -2.078 -0.593 1.00 0.00 O ATOM 0 H TYR A 23 77.368 4.793 -2.966 1.00 0.00 H new ATOM 0 HA TYR A 23 75.719 2.565 -4.144 1.00 0.00 H new ATOM 0 HB2 TYR A 23 75.772 3.872 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.282 3.177 -2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 23 74.599 0.743 -3.132 1.00 0.00 H new ATOM 0 HD2 TYR A 23 77.200 2.461 -0.175 1.00 0.00 H new ATOM 0 HE1 TYR A 23 75.357 -1.525 -2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 23 77.951 0.189 0.481 1.00 0.00 H new ATOM 0 HH TYR A 23 77.824 -2.007 0.085 1.00 0.00 H new ATOM 319 N THR A 24 73.986 4.249 -4.952 1.00 0.00 N ATOM 320 CA THR A 24 73.078 5.299 -5.512 1.00 0.00 C ATOM 321 C THR A 24 71.661 4.744 -5.640 1.00 0.00 C ATOM 322 O THR A 24 71.456 3.563 -5.845 1.00 0.00 O ATOM 323 CB THR A 24 73.583 5.728 -6.891 1.00 0.00 C ATOM 324 OG1 THR A 24 73.822 4.577 -7.688 1.00 0.00 O ATOM 325 CG2 THR A 24 74.879 6.525 -6.733 1.00 0.00 C ATOM 0 H THR A 24 73.830 3.306 -5.307 1.00 0.00 H new ATOM 0 HA THR A 24 73.068 6.159 -4.842 1.00 0.00 H new ATOM 0 HB THR A 24 72.833 6.352 -7.377 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.144 4.852 -8.572 1.00 0.00 H new ATOM 0 HG21 THR A 24 75.240 6.831 -7.715 1.00 0.00 H new ATOM 0 HG22 THR A 24 74.691 7.409 -6.124 1.00 0.00 H new ATOM 0 HG23 THR A 24 75.631 5.903 -6.248 1.00 0.00 H new ATOM 333 N TYR A 25 70.681 5.597 -5.530 1.00 0.00 N ATOM 334 CA TYR A 25 69.273 5.139 -5.653 1.00 0.00 C ATOM 335 C TYR A 25 68.950 4.965 -7.136 1.00 0.00 C ATOM 336 O TYR A 25 69.163 5.857 -7.934 1.00 0.00 O ATOM 337 CB TYR A 25 68.351 6.198 -5.045 1.00 0.00 C ATOM 338 CG TYR A 25 66.944 5.661 -4.934 1.00 0.00 C ATOM 339 CD1 TYR A 25 66.102 5.672 -6.051 1.00 0.00 C ATOM 340 CD2 TYR A 25 66.478 5.165 -3.711 1.00 0.00 C ATOM 341 CE1 TYR A 25 64.794 5.185 -5.947 1.00 0.00 C ATOM 342 CE2 TYR A 25 65.169 4.680 -3.607 1.00 0.00 C ATOM 343 CZ TYR A 25 64.328 4.690 -4.722 1.00 0.00 C ATOM 344 OH TYR A 25 63.036 4.214 -4.615 1.00 0.00 O ATOM 0 H TYR A 25 70.797 6.596 -5.359 1.00 0.00 H new ATOM 0 HA TYR A 25 69.130 4.193 -5.130 1.00 0.00 H new ATOM 0 HB2 TYR A 25 68.717 6.487 -4.060 1.00 0.00 H new ATOM 0 HB3 TYR A 25 68.358 7.095 -5.664 1.00 0.00 H new ATOM 0 HD1 TYR A 25 66.461 6.056 -6.994 1.00 0.00 H new ATOM 0 HD2 TYR A 25 67.128 5.156 -2.848 1.00 0.00 H new ATOM 0 HE1 TYR A 25 64.145 5.191 -6.810 1.00 0.00 H new ATOM 0 HE2 TYR A 25 64.809 4.298 -2.663 1.00 0.00 H new ATOM 0 HH TYR A 25 62.465 4.669 -5.268 1.00 0.00 H new ATOM 354 N ASN A 26 68.449 3.824 -7.520 1.00 0.00 N ATOM 355 CA ASN A 26 68.128 3.599 -8.958 1.00 0.00 C ATOM 356 C ASN A 26 66.757 4.193 -9.281 1.00 0.00 C ATOM 357 O ASN A 26 65.763 3.495 -9.327 1.00 0.00 O ATOM 358 CB ASN A 26 68.114 2.095 -9.239 1.00 0.00 C ATOM 359 CG ASN A 26 67.937 1.854 -10.739 1.00 0.00 C ATOM 360 OD1 ASN A 26 68.555 2.514 -11.550 1.00 0.00 O ATOM 361 ND2 ASN A 26 67.113 0.926 -11.145 1.00 0.00 N ATOM 0 H ASN A 26 68.248 3.038 -6.902 1.00 0.00 H new ATOM 0 HA ASN A 26 68.881 4.083 -9.580 1.00 0.00 H new ATOM 0 HB2 ASN A 26 69.044 1.642 -8.895 1.00 0.00 H new ATOM 0 HB3 ASN A 26 67.304 1.619 -8.686 1.00 0.00 H new ATOM 0 HD21 ASN A 26 66.989 0.756 -12.143 1.00 0.00 H new ATOM 0 HD22 ASN A 26 66.594 0.372 -10.464 1.00 0.00 H new ATOM 368 N SER A 27 66.693 5.475 -9.513 1.00 0.00 N ATOM 369 CA SER A 27 65.384 6.107 -9.841 1.00 0.00 C ATOM 370 C SER A 27 65.044 5.821 -11.303 1.00 0.00 C ATOM 371 O SER A 27 63.977 6.149 -11.782 1.00 0.00 O ATOM 372 CB SER A 27 65.464 7.619 -9.633 1.00 0.00 C ATOM 373 OG SER A 27 65.810 7.896 -8.284 1.00 0.00 O ATOM 0 H SER A 27 67.489 6.112 -9.490 1.00 0.00 H new ATOM 0 HA SER A 27 64.614 5.696 -9.188 1.00 0.00 H new ATOM 0 HB2 SER A 27 66.206 8.050 -10.305 1.00 0.00 H new ATOM 0 HB3 SER A 27 64.507 8.081 -9.876 1.00 0.00 H new ATOM 0 HG SER A 27 65.410 7.220 -7.698 1.00 0.00 H new ATOM 379 N GLY A 28 65.952 5.218 -12.020 1.00 0.00 N ATOM 380 CA GLY A 28 65.694 4.918 -13.455 1.00 0.00 C ATOM 381 C GLY A 28 64.446 4.043 -13.586 1.00 0.00 C ATOM 382 O GLY A 28 63.668 4.196 -14.506 1.00 0.00 O ATOM 0 H GLY A 28 66.863 4.920 -11.672 1.00 0.00 H new ATOM 0 HA2 GLY A 28 65.559 5.846 -14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 28 66.554 4.408 -13.890 1.00 0.00 H new ATOM 386 N VAL A 29 64.244 3.124 -12.678 1.00 0.00 N ATOM 387 CA VAL A 29 63.041 2.246 -12.765 1.00 0.00 C ATOM 388 C VAL A 29 61.842 2.956 -12.125 1.00 0.00 C ATOM 389 O VAL A 29 61.928 3.505 -11.045 1.00 0.00 O ATOM 390 CB VAL A 29 63.317 0.925 -12.041 1.00 0.00 C ATOM 391 CG1 VAL A 29 64.531 0.239 -12.674 1.00 0.00 C ATOM 392 CG2 VAL A 29 63.594 1.198 -10.560 1.00 0.00 C ATOM 0 H VAL A 29 64.858 2.944 -11.883 1.00 0.00 H new ATOM 0 HA VAL A 29 62.815 2.038 -13.811 1.00 0.00 H new ATOM 0 HB VAL A 29 62.447 0.275 -12.130 1.00 0.00 H new ATOM 0 HG11 VAL A 29 64.727 -0.701 -12.159 1.00 0.00 H new ATOM 0 HG12 VAL A 29 64.329 0.041 -13.727 1.00 0.00 H new ATOM 0 HG13 VAL A 29 65.402 0.889 -12.588 1.00 0.00 H new ATOM 0 HG21 VAL A 29 63.790 0.256 -10.047 1.00 0.00 H new ATOM 0 HG22 VAL A 29 64.462 1.850 -10.466 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.727 1.682 -10.111 1.00 0.00 H new ATOM 402 N SER A 30 60.729 2.957 -12.807 1.00 0.00 N ATOM 403 CA SER A 30 59.504 3.639 -12.289 1.00 0.00 C ATOM 404 C SER A 30 59.051 3.046 -10.946 1.00 0.00 C ATOM 405 O SER A 30 58.586 3.758 -10.078 1.00 0.00 O ATOM 406 CB SER A 30 58.378 3.487 -13.310 1.00 0.00 C ATOM 407 OG SER A 30 58.737 4.159 -14.510 1.00 0.00 O ATOM 0 H SER A 30 60.613 2.508 -13.715 1.00 0.00 H new ATOM 0 HA SER A 30 59.741 4.691 -12.132 1.00 0.00 H new ATOM 0 HB2 SER A 30 58.195 2.432 -13.512 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.452 3.901 -12.911 1.00 0.00 H new ATOM 0 HG SER A 30 58.017 4.062 -15.168 1.00 0.00 H new ATOM 413 N VAL A 31 59.129 1.753 -10.781 1.00 0.00 N ATOM 414 CA VAL A 31 58.640 1.137 -9.507 1.00 0.00 C ATOM 415 C VAL A 31 59.361 1.728 -8.287 1.00 0.00 C ATOM 416 O VAL A 31 58.741 2.016 -7.283 1.00 0.00 O ATOM 417 CB VAL A 31 58.868 -0.377 -9.539 1.00 0.00 C ATOM 418 CG1 VAL A 31 57.962 -1.011 -10.597 1.00 0.00 C ATOM 419 CG2 VAL A 31 60.330 -0.679 -9.877 1.00 0.00 C ATOM 0 H VAL A 31 59.507 1.098 -11.466 1.00 0.00 H new ATOM 0 HA VAL A 31 57.575 1.354 -9.420 1.00 0.00 H new ATOM 0 HB VAL A 31 58.632 -0.792 -8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 31 58.126 -2.088 -10.618 1.00 0.00 H new ATOM 0 HG12 VAL A 31 56.919 -0.807 -10.353 1.00 0.00 H new ATOM 0 HG13 VAL A 31 58.194 -0.589 -11.575 1.00 0.00 H new ATOM 0 HG21 VAL A 31 60.483 -1.758 -9.898 1.00 0.00 H new ATOM 0 HG22 VAL A 31 60.572 -0.259 -10.853 1.00 0.00 H new ATOM 0 HG23 VAL A 31 60.977 -0.235 -9.121 1.00 0.00 H new ATOM 429 N CYS A 32 60.649 1.915 -8.344 1.00 0.00 N ATOM 430 CA CYS A 32 61.351 2.489 -7.156 1.00 0.00 C ATOM 431 C CYS A 32 60.901 3.938 -6.950 1.00 0.00 C ATOM 432 O CYS A 32 60.685 4.383 -5.835 1.00 0.00 O ATOM 433 CB CYS A 32 62.867 2.443 -7.371 1.00 0.00 C ATOM 434 SG CYS A 32 63.431 0.722 -7.305 1.00 0.00 S ATOM 0 H CYS A 32 61.241 1.700 -9.146 1.00 0.00 H new ATOM 0 HA CYS A 32 61.102 1.902 -6.272 1.00 0.00 H new ATOM 0 HB2 CYS A 32 63.123 2.885 -8.334 1.00 0.00 H new ATOM 0 HB3 CYS A 32 63.372 3.033 -6.606 1.00 0.00 H new ATOM 0 HG CYS A 32 63.786 0.428 -6.089 1.00 0.00 H new ATOM 439 N MET A 33 60.742 4.680 -8.013 1.00 0.00 N ATOM 440 CA MET A 33 60.298 6.090 -7.864 1.00 0.00 C ATOM 441 C MET A 33 58.781 6.100 -7.654 1.00 0.00 C ATOM 442 O MET A 33 58.199 7.098 -7.280 1.00 0.00 O ATOM 443 CB MET A 33 60.658 6.880 -9.130 1.00 0.00 C ATOM 444 CG MET A 33 60.674 8.379 -8.814 1.00 0.00 C ATOM 445 SD MET A 33 62.101 8.744 -7.755 1.00 0.00 S ATOM 446 CE MET A 33 61.366 10.078 -6.774 1.00 0.00 C ATOM 0 H MET A 33 60.900 4.370 -8.972 1.00 0.00 H new ATOM 0 HA MET A 33 60.793 6.553 -7.011 1.00 0.00 H new ATOM 0 HB2 MET A 33 61.633 6.566 -9.501 1.00 0.00 H new ATOM 0 HB3 MET A 33 59.935 6.672 -9.918 1.00 0.00 H new ATOM 0 HG2 MET A 33 60.732 8.958 -9.736 1.00 0.00 H new ATOM 0 HG3 MET A 33 59.750 8.668 -8.313 1.00 0.00 H new ATOM 0 HE1 MET A 33 61.990 10.274 -5.902 1.00 0.00 H new ATOM 0 HE2 MET A 33 61.297 10.980 -7.381 1.00 0.00 H new ATOM 0 HE3 MET A 33 60.369 9.783 -6.448 1.00 0.00 H new ATOM 456 N GLN A 34 58.143 4.980 -7.875 1.00 0.00 N ATOM 457 CA GLN A 34 56.672 4.909 -7.670 1.00 0.00 C ATOM 458 C GLN A 34 56.374 5.108 -6.186 1.00 0.00 C ATOM 459 O GLN A 34 55.429 5.773 -5.816 1.00 0.00 O ATOM 460 CB GLN A 34 56.142 3.547 -8.126 1.00 0.00 C ATOM 461 CG GLN A 34 54.614 3.551 -8.059 1.00 0.00 C ATOM 462 CD GLN A 34 54.067 2.302 -8.751 1.00 0.00 C ATOM 463 OE1 GLN A 34 54.820 1.447 -9.172 1.00 0.00 O ATOM 464 NE2 GLN A 34 52.777 2.163 -8.894 1.00 0.00 N ATOM 0 H GLN A 34 58.580 4.113 -8.189 1.00 0.00 H new ATOM 0 HA GLN A 34 56.182 5.687 -8.256 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.472 3.337 -9.143 1.00 0.00 H new ATOM 0 HB3 GLN A 34 56.543 2.757 -7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 34 54.286 3.577 -7.020 1.00 0.00 H new ATOM 0 HG3 GLN A 34 54.221 4.447 -8.540 1.00 0.00 H new ATOM 0 HE21 GLN A 34 52.144 2.881 -8.541 1.00 0.00 H new ATOM 0 HE22 GLN A 34 52.402 1.337 -9.359 1.00 0.00 H new ATOM 473 N GLY A 35 57.180 4.536 -5.332 1.00 0.00 N ATOM 474 CA GLY A 35 56.955 4.696 -3.869 1.00 0.00 C ATOM 475 C GLY A 35 57.387 6.099 -3.437 1.00 0.00 C ATOM 476 O GLY A 35 56.681 6.781 -2.722 1.00 0.00 O ATOM 0 H GLY A 35 57.985 3.964 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.903 4.539 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 35 57.521 3.944 -3.319 1.00 0.00 H new ATOM 480 N LEU A 36 58.542 6.537 -3.865 1.00 0.00 N ATOM 481 CA LEU A 36 59.008 7.901 -3.467 1.00 0.00 C ATOM 482 C LEU A 36 58.009 8.959 -3.956 1.00 0.00 C ATOM 483 O LEU A 36 57.581 9.812 -3.204 1.00 0.00 O ATOM 484 CB LEU A 36 60.387 8.173 -4.085 1.00 0.00 C ATOM 485 CG LEU A 36 61.487 7.438 -3.294 1.00 0.00 C ATOM 486 CD1 LEU A 36 62.732 7.291 -4.172 1.00 0.00 C ATOM 487 CD2 LEU A 36 61.869 8.238 -2.037 1.00 0.00 C ATOM 0 H LEU A 36 59.179 6.016 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 36 59.079 7.951 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 36 60.397 7.845 -5.124 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.586 9.245 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 36 61.109 6.459 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 36 63.511 6.771 -3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 36 62.482 6.718 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 36 63.091 8.278 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.647 7.706 -1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.239 9.221 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 36 60.992 8.355 -1.400 1.00 0.00 H new ATOM 499 N ASN A 37 57.638 8.916 -5.208 1.00 0.00 N ATOM 500 CA ASN A 37 56.671 9.924 -5.736 1.00 0.00 C ATOM 501 C ASN A 37 55.343 9.819 -4.984 1.00 0.00 C ATOM 502 O ASN A 37 54.710 10.809 -4.676 1.00 0.00 O ATOM 503 CB ASN A 37 56.427 9.678 -7.227 1.00 0.00 C ATOM 504 CG ASN A 37 55.437 10.715 -7.757 1.00 0.00 C ATOM 505 OD1 ASN A 37 54.271 10.423 -7.939 1.00 0.00 O ATOM 506 ND2 ASN A 37 55.853 11.925 -8.014 1.00 0.00 N ATOM 0 H ASN A 37 57.962 8.228 -5.888 1.00 0.00 H new ATOM 0 HA ASN A 37 57.090 10.920 -5.594 1.00 0.00 H new ATOM 0 HB2 ASN A 37 57.366 9.742 -7.776 1.00 0.00 H new ATOM 0 HB3 ASN A 37 56.035 8.673 -7.382 1.00 0.00 H new ATOM 0 HD21 ASN A 37 55.200 12.625 -8.367 1.00 0.00 H new ATOM 0 HD22 ASN A 37 56.831 12.171 -7.862 1.00 0.00 H new ATOM 513 N GLU A 38 54.912 8.622 -4.697 1.00 0.00 N ATOM 514 CA GLU A 38 53.620 8.443 -3.979 1.00 0.00 C ATOM 515 C GLU A 38 53.733 9.046 -2.576 1.00 0.00 C ATOM 516 O GLU A 38 52.765 9.523 -2.017 1.00 0.00 O ATOM 517 CB GLU A 38 53.279 6.953 -3.896 1.00 0.00 C ATOM 518 CG GLU A 38 51.846 6.782 -3.385 1.00 0.00 C ATOM 519 CD GLU A 38 51.422 5.320 -3.536 1.00 0.00 C ATOM 520 OE1 GLU A 38 52.225 4.535 -4.013 1.00 0.00 O ATOM 521 OE2 GLU A 38 50.297 5.011 -3.177 1.00 0.00 O ATOM 0 H GLU A 38 55.401 7.758 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 38 52.823 8.952 -4.520 1.00 0.00 H new ATOM 0 HB2 GLU A 38 53.384 6.490 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 38 53.977 6.447 -3.229 1.00 0.00 H new ATOM 0 HG2 GLU A 38 51.783 7.084 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 38 51.169 7.428 -3.945 1.00 0.00 H new ATOM 528 N GLY A 39 54.911 9.045 -2.007 1.00 0.00 N ATOM 529 CA GLY A 39 55.092 9.638 -0.646 1.00 0.00 C ATOM 530 C GLY A 39 54.901 8.575 0.439 1.00 0.00 C ATOM 531 O GLY A 39 54.555 8.888 1.560 1.00 0.00 O ATOM 0 H GLY A 39 55.757 8.659 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.088 10.074 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.377 10.447 -0.499 1.00 0.00 H new ATOM 535 N LYS A 40 55.146 7.325 0.127 1.00 0.00 N ATOM 536 CA LYS A 40 55.003 6.242 1.148 1.00 0.00 C ATOM 537 C LYS A 40 56.397 5.737 1.483 1.00 0.00 C ATOM 538 O LYS A 40 56.586 4.872 2.314 1.00 0.00 O ATOM 539 CB LYS A 40 54.158 5.105 0.573 1.00 0.00 C ATOM 540 CG LYS A 40 52.717 5.590 0.425 1.00 0.00 C ATOM 541 CD LYS A 40 51.848 4.470 -0.150 1.00 0.00 C ATOM 542 CE LYS A 40 50.410 4.972 -0.293 1.00 0.00 C ATOM 543 NZ LYS A 40 49.603 3.962 -1.035 1.00 0.00 N ATOM 0 H LYS A 40 55.440 7.008 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 40 54.511 6.618 2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.553 4.793 -0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 40 54.198 4.236 1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 40 52.328 5.903 1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 40 52.683 6.461 -0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 40 52.234 4.155 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 40 51.878 3.598 0.503 1.00 0.00 H new ATOM 0 HE2 LYS A 40 49.976 5.149 0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 40 50.397 5.924 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 48.642 3.926 -0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 49.553 4.228 -2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 50.050 3.027 -0.946 1.00 0.00 H new ATOM 557 N VAL A 41 57.376 6.290 0.822 1.00 0.00 N ATOM 558 CA VAL A 41 58.791 5.886 1.051 1.00 0.00 C ATOM 559 C VAL A 41 59.651 7.138 1.183 1.00 0.00 C ATOM 560 O VAL A 41 59.281 8.215 0.761 1.00 0.00 O ATOM 561 CB VAL A 41 59.279 5.070 -0.141 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.767 4.784 -0.019 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.495 3.753 -0.217 1.00 0.00 C ATOM 0 H VAL A 41 57.252 7.019 0.119 1.00 0.00 H new ATOM 0 HA VAL A 41 58.862 5.289 1.960 1.00 0.00 H new ATOM 0 HB VAL A 41 59.113 5.644 -1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 41 61.097 4.201 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.317 5.725 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 41 60.956 4.221 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.844 3.170 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.650 3.184 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.433 3.968 -0.335 1.00 0.00 H new ATOM 573 N ARG A 42 60.798 6.984 1.767 1.00 0.00 N ATOM 574 CA ARG A 42 61.740 8.129 1.954 1.00 0.00 C ATOM 575 C ARG A 42 63.090 7.745 1.345 1.00 0.00 C ATOM 576 O ARG A 42 64.004 8.542 1.261 1.00 0.00 O ATOM 577 CB ARG A 42 61.886 8.395 3.457 1.00 0.00 C ATOM 578 CG ARG A 42 63.018 9.389 3.724 1.00 0.00 C ATOM 579 CD ARG A 42 62.975 9.817 5.191 1.00 0.00 C ATOM 580 NE ARG A 42 63.194 8.628 6.059 1.00 0.00 N ATOM 581 CZ ARG A 42 63.256 8.766 7.355 1.00 0.00 C ATOM 582 NH1 ARG A 42 63.098 9.944 7.894 1.00 0.00 N ATOM 583 NH2 ARG A 42 63.473 7.726 8.112 1.00 0.00 N ATOM 0 H ARG A 42 61.137 6.094 2.134 1.00 0.00 H new ATOM 0 HA ARG A 42 61.369 9.030 1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 42 60.950 8.787 3.854 1.00 0.00 H new ATOM 0 HB3 ARG A 42 62.087 7.459 3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.981 8.933 3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 42 62.915 10.259 3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.740 10.568 5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.013 10.276 5.419 1.00 0.00 H new ATOM 0 HE ARG A 42 63.296 7.704 5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 42 62.926 10.757 7.302 1.00 0.00 H new ATOM 0 HH12 ARG A 42 63.146 10.052 8.907 1.00 0.00 H new ATOM 0 HH21 ARG A 42 63.594 6.805 7.691 1.00 0.00 H new ATOM 0 HH22 ARG A 42 63.521 7.834 9.125 1.00 0.00 H new ATOM 597 N GLY A 43 63.211 6.517 0.912 1.00 0.00 N ATOM 598 CA GLY A 43 64.498 6.038 0.301 1.00 0.00 C ATOM 599 C GLY A 43 64.840 4.672 0.901 1.00 0.00 C ATOM 600 O GLY A 43 63.997 4.040 1.496 1.00 0.00 O ATOM 0 H GLY A 43 62.471 5.817 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.398 5.962 -0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.299 6.750 0.498 1.00 0.00 H new ATOM 604 N VAL A 44 66.061 4.204 0.754 1.00 0.00 N ATOM 605 CA VAL A 44 66.438 2.863 1.329 1.00 0.00 C ATOM 606 C VAL A 44 67.577 3.024 2.337 1.00 0.00 C ATOM 607 O VAL A 44 68.589 3.626 2.053 1.00 0.00 O ATOM 608 CB VAL A 44 66.901 1.935 0.200 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.384 0.605 0.789 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.731 1.665 -0.747 1.00 0.00 C ATOM 0 H VAL A 44 66.812 4.689 0.263 1.00 0.00 H new ATOM 0 HA VAL A 44 65.568 2.438 1.830 1.00 0.00 H new ATOM 0 HB VAL A 44 67.717 2.411 -0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.712 -0.052 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.216 0.789 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.568 0.131 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 44 66.058 1.005 -1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.919 1.191 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.381 2.606 -1.170 1.00 0.00 H new ATOM 620 N SER A 45 67.426 2.465 3.506 1.00 0.00 N ATOM 621 CA SER A 45 68.506 2.560 4.525 1.00 0.00 C ATOM 622 C SER A 45 69.583 1.528 4.193 1.00 0.00 C ATOM 623 O SER A 45 69.284 0.388 3.902 1.00 0.00 O ATOM 624 CB SER A 45 67.933 2.273 5.913 1.00 0.00 C ATOM 625 OG SER A 45 68.985 2.278 6.868 1.00 0.00 O ATOM 0 H SER A 45 66.599 1.945 3.799 1.00 0.00 H new ATOM 0 HA SER A 45 68.934 3.562 4.519 1.00 0.00 H new ATOM 0 HB2 SER A 45 67.187 3.024 6.173 1.00 0.00 H new ATOM 0 HB3 SER A 45 67.428 1.307 5.917 1.00 0.00 H new ATOM 0 HG SER A 45 68.619 2.096 7.759 1.00 0.00 H new ATOM 631 N VAL A 46 70.835 1.917 4.232 1.00 0.00 N ATOM 632 CA VAL A 46 71.940 0.957 3.915 1.00 0.00 C ATOM 633 C VAL A 46 72.997 1.009 5.014 1.00 0.00 C ATOM 634 O VAL A 46 73.458 2.063 5.408 1.00 0.00 O ATOM 635 CB VAL A 46 72.588 1.332 2.580 1.00 0.00 C ATOM 636 CG1 VAL A 46 73.251 2.708 2.694 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.647 0.284 2.222 1.00 0.00 C ATOM 0 H VAL A 46 71.140 2.861 4.470 1.00 0.00 H new ATOM 0 HA VAL A 46 71.526 -0.049 3.850 1.00 0.00 H new ATOM 0 HB VAL A 46 71.824 1.365 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 46 73.711 2.970 1.741 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.499 3.454 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.016 2.680 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 46 74.112 0.546 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 46 74.408 0.254 3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 46 73.176 -0.695 2.137 1.00 0.00 H new ATOM 647 N SER A 47 73.389 -0.137 5.498 1.00 0.00 N ATOM 648 CA SER A 47 74.430 -0.216 6.566 1.00 0.00 C ATOM 649 C SER A 47 75.566 -1.082 6.039 1.00 0.00 C ATOM 650 O SER A 47 75.343 -1.996 5.270 1.00 0.00 O ATOM 651 CB SER A 47 73.833 -0.864 7.812 1.00 0.00 C ATOM 652 OG SER A 47 73.650 -2.253 7.574 1.00 0.00 O ATOM 0 H SER A 47 73.026 -1.040 5.193 1.00 0.00 H new ATOM 0 HA SER A 47 74.792 0.779 6.825 1.00 0.00 H new ATOM 0 HB2 SER A 47 74.493 -0.713 8.667 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.880 -0.396 8.059 1.00 0.00 H new ATOM 0 HG SER A 47 73.268 -2.674 8.372 1.00 0.00 H new ATOM 658 N GLY A 48 76.782 -0.802 6.422 1.00 0.00 N ATOM 659 CA GLY A 48 77.927 -1.626 5.904 1.00 0.00 C ATOM 660 C GLY A 48 78.980 -1.844 6.988 1.00 0.00 C ATOM 661 O GLY A 48 79.362 -0.932 7.694 1.00 0.00 O ATOM 0 H GLY A 48 77.037 -0.050 7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 48 77.557 -2.589 5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 48 78.380 -1.127 5.047 1.00 0.00 H new ATOM 665 N VAL A 49 79.470 -3.059 7.100 1.00 0.00 N ATOM 666 CA VAL A 49 80.535 -3.374 8.116 1.00 0.00 C ATOM 667 C VAL A 49 81.745 -3.968 7.389 1.00 0.00 C ATOM 668 O VAL A 49 81.610 -4.832 6.546 1.00 0.00 O ATOM 669 CB VAL A 49 80.001 -4.382 9.146 1.00 0.00 C ATOM 670 CG1 VAL A 49 81.146 -4.864 10.049 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.938 -3.703 10.016 1.00 0.00 C ATOM 0 H VAL A 49 79.177 -3.852 6.529 1.00 0.00 H new ATOM 0 HA VAL A 49 80.824 -2.463 8.640 1.00 0.00 H new ATOM 0 HB VAL A 49 79.568 -5.233 8.620 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.760 -5.578 10.776 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.912 -5.344 9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.580 -4.012 10.572 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.557 -4.416 10.748 1.00 0.00 H new ATOM 0 HG22 VAL A 49 79.381 -2.852 10.534 1.00 0.00 H new ATOM 0 HG23 VAL A 49 78.119 -3.357 9.386 1.00 0.00 H new ATOM 681 N PHE A 50 82.927 -3.501 7.711 1.00 0.00 N ATOM 682 CA PHE A 50 84.170 -4.013 7.051 1.00 0.00 C ATOM 683 C PHE A 50 84.994 -4.814 8.076 1.00 0.00 C ATOM 684 O PHE A 50 85.345 -4.303 9.118 1.00 0.00 O ATOM 685 CB PHE A 50 84.996 -2.800 6.559 1.00 0.00 C ATOM 686 CG PHE A 50 84.538 -2.372 5.173 1.00 0.00 C ATOM 687 CD1 PHE A 50 84.770 -3.221 4.087 1.00 0.00 C ATOM 688 CD2 PHE A 50 83.896 -1.136 4.968 1.00 0.00 C ATOM 689 CE1 PHE A 50 84.365 -2.848 2.801 1.00 0.00 C ATOM 690 CE2 PHE A 50 83.495 -0.765 3.679 1.00 0.00 C ATOM 691 CZ PHE A 50 83.728 -1.621 2.596 1.00 0.00 C ATOM 0 H PHE A 50 83.086 -2.777 8.412 1.00 0.00 H new ATOM 0 HA PHE A 50 83.915 -4.658 6.210 1.00 0.00 H new ATOM 0 HB2 PHE A 50 84.886 -1.970 7.257 1.00 0.00 H new ATOM 0 HB3 PHE A 50 86.055 -3.059 6.535 1.00 0.00 H new ATOM 0 HD1 PHE A 50 85.264 -4.169 4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 50 83.713 -0.476 5.803 1.00 0.00 H new ATOM 0 HE1 PHE A 50 84.545 -3.509 1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 50 83.005 0.184 3.520 1.00 0.00 H new ATOM 0 HZ PHE A 50 83.416 -1.333 1.603 1.00 0.00 H new ATOM 701 N TYR A 51 85.321 -6.055 7.791 1.00 0.00 N ATOM 702 CA TYR A 51 86.140 -6.856 8.766 1.00 0.00 C ATOM 703 C TYR A 51 87.615 -6.762 8.381 1.00 0.00 C ATOM 704 O TYR A 51 87.989 -7.068 7.270 1.00 0.00 O ATOM 705 CB TYR A 51 85.719 -8.341 8.738 1.00 0.00 C ATOM 706 CG TYR A 51 84.491 -8.566 9.598 1.00 0.00 C ATOM 707 CD1 TYR A 51 84.538 -8.298 10.975 1.00 0.00 C ATOM 708 CD2 TYR A 51 83.310 -9.048 9.024 1.00 0.00 C ATOM 709 CE1 TYR A 51 83.403 -8.508 11.768 1.00 0.00 C ATOM 710 CE2 TYR A 51 82.177 -9.258 9.819 1.00 0.00 C ATOM 711 CZ TYR A 51 82.224 -8.985 11.191 1.00 0.00 C ATOM 712 OH TYR A 51 81.107 -9.193 11.974 1.00 0.00 O ATOM 0 H TYR A 51 85.060 -6.545 6.935 1.00 0.00 H new ATOM 0 HA TYR A 51 85.978 -6.455 9.767 1.00 0.00 H new ATOM 0 HB2 TYR A 51 85.512 -8.646 7.712 1.00 0.00 H new ATOM 0 HB3 TYR A 51 86.539 -8.963 9.096 1.00 0.00 H new ATOM 0 HD1 TYR A 51 85.449 -7.930 11.423 1.00 0.00 H new ATOM 0 HD2 TYR A 51 83.272 -9.259 7.965 1.00 0.00 H new ATOM 0 HE1 TYR A 51 83.439 -8.301 12.827 1.00 0.00 H new ATOM 0 HE2 TYR A 51 81.266 -9.631 9.374 1.00 0.00 H new ATOM 0 HH TYR A 51 80.373 -9.525 11.416 1.00 0.00 H new ATOM 722 N TYR A 52 88.459 -6.366 9.302 1.00 0.00 N ATOM 723 CA TYR A 52 89.923 -6.276 9.005 1.00 0.00 C ATOM 724 C TYR A 52 90.638 -7.368 9.803 1.00 0.00 C ATOM 725 O TYR A 52 90.420 -7.514 10.991 1.00 0.00 O ATOM 726 CB TYR A 52 90.449 -4.902 9.439 1.00 0.00 C ATOM 727 CG TYR A 52 89.616 -3.807 8.802 1.00 0.00 C ATOM 728 CD1 TYR A 52 89.523 -3.712 7.406 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.934 -2.884 9.609 1.00 0.00 C ATOM 730 CE1 TYR A 52 88.752 -2.700 6.823 1.00 0.00 C ATOM 731 CE2 TYR A 52 88.164 -1.873 9.023 1.00 0.00 C ATOM 732 CZ TYR A 52 88.073 -1.781 7.631 1.00 0.00 C ATOM 733 OH TYR A 52 87.312 -0.785 7.052 1.00 0.00 O ATOM 0 H TYR A 52 88.196 -6.100 10.251 1.00 0.00 H new ATOM 0 HA TYR A 52 90.102 -6.406 7.938 1.00 0.00 H new ATOM 0 HB2 TYR A 52 90.411 -4.815 10.525 1.00 0.00 H new ATOM 0 HB3 TYR A 52 91.493 -4.794 9.146 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.047 -4.420 6.781 1.00 0.00 H new ATOM 0 HD2 TYR A 52 89.003 -2.954 10.685 1.00 0.00 H new ATOM 0 HE1 TYR A 52 88.681 -2.628 5.748 1.00 0.00 H new ATOM 0 HE2 TYR A 52 87.640 -1.164 9.646 1.00 0.00 H new ATOM 0 HH TYR A 52 87.158 -0.998 6.108 1.00 0.00 H new ATOM 743 N ASN A 53 91.497 -8.133 9.178 1.00 0.00 N ATOM 744 CA ASN A 53 92.213 -9.201 9.933 1.00 0.00 C ATOM 745 C ASN A 53 92.869 -8.565 11.147 1.00 0.00 C ATOM 746 O ASN A 53 93.288 -9.232 12.070 1.00 0.00 O ATOM 747 CB ASN A 53 93.296 -9.827 9.057 1.00 0.00 C ATOM 748 CG ASN A 53 92.657 -10.440 7.809 1.00 0.00 C ATOM 749 OD1 ASN A 53 91.688 -11.166 7.905 1.00 0.00 O ATOM 750 ND2 ASN A 53 93.169 -10.187 6.637 1.00 0.00 N ATOM 0 H ASN A 53 91.731 -8.064 8.188 1.00 0.00 H new ATOM 0 HA ASN A 53 91.507 -9.975 10.233 1.00 0.00 H new ATOM 0 HB2 ASN A 53 94.027 -9.071 8.770 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.833 -10.593 9.617 1.00 0.00 H new ATOM 0 HD21 ASN A 53 92.756 -10.599 5.800 1.00 0.00 H new ATOM 0 HD22 ASN A 53 93.983 -9.577 6.557 1.00 0.00 H new ATOM 757 N ASP A 54 92.952 -7.264 11.147 1.00 0.00 N ATOM 758 CA ASP A 54 93.572 -6.564 12.295 1.00 0.00 C ATOM 759 C ASP A 54 92.651 -6.726 13.504 1.00 0.00 C ATOM 760 O ASP A 54 92.969 -6.320 14.605 1.00 0.00 O ATOM 761 CB ASP A 54 93.732 -5.079 11.958 1.00 0.00 C ATOM 762 CG ASP A 54 94.697 -4.429 12.950 1.00 0.00 C ATOM 763 OD1 ASP A 54 94.818 -4.940 14.051 1.00 0.00 O ATOM 764 OD2 ASP A 54 95.298 -3.429 12.592 1.00 0.00 O ATOM 0 H ASP A 54 92.615 -6.658 10.398 1.00 0.00 H new ATOM 0 HA ASP A 54 94.554 -6.983 12.514 1.00 0.00 H new ATOM 0 HB2 ASP A 54 94.108 -4.965 10.941 1.00 0.00 H new ATOM 0 HB3 ASP A 54 92.764 -4.580 11.997 1.00 0.00 H new ATOM 769 N GLY A 55 91.507 -7.326 13.298 1.00 0.00 N ATOM 770 CA GLY A 55 90.550 -7.531 14.421 1.00 0.00 C ATOM 771 C GLY A 55 89.736 -6.256 14.643 1.00 0.00 C ATOM 772 O GLY A 55 89.059 -6.114 15.642 1.00 0.00 O ATOM 0 H GLY A 55 91.195 -7.684 12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 55 89.884 -8.365 14.197 1.00 0.00 H new ATOM 0 HA3 GLY A 55 91.092 -7.791 15.330 1.00 0.00 H new ATOM 776 N THR A 56 89.799 -5.327 13.719 1.00 0.00 N ATOM 777 CA THR A 56 89.031 -4.047 13.869 1.00 0.00 C ATOM 778 C THR A 56 87.900 -3.996 12.853 1.00 0.00 C ATOM 779 O THR A 56 87.916 -4.687 11.859 1.00 0.00 O ATOM 780 CB THR A 56 89.969 -2.860 13.644 1.00 0.00 C ATOM 781 OG1 THR A 56 90.744 -3.087 12.475 1.00 0.00 O ATOM 782 CG2 THR A 56 90.886 -2.707 14.853 1.00 0.00 C ATOM 0 H THR A 56 90.351 -5.399 12.864 1.00 0.00 H new ATOM 0 HA THR A 56 88.612 -3.999 14.874 1.00 0.00 H new ATOM 0 HB THR A 56 89.386 -1.948 13.516 1.00 0.00 H new ATOM 0 HG1 THR A 56 91.345 -2.327 12.328 1.00 0.00 H new ATOM 0 HG21 THR A 56 91.556 -1.862 14.697 1.00 0.00 H new ATOM 0 HG22 THR A 56 90.285 -2.533 15.746 1.00 0.00 H new ATOM 0 HG23 THR A 56 91.473 -3.616 14.982 1.00 0.00 H new ATOM 790 N THR A 57 86.907 -3.181 13.102 1.00 0.00 N ATOM 791 CA THR A 57 85.759 -3.084 12.151 1.00 0.00 C ATOM 792 C THR A 57 85.304 -1.634 12.009 1.00 0.00 C ATOM 793 O THR A 57 85.278 -0.878 12.960 1.00 0.00 O ATOM 794 CB THR A 57 84.589 -3.922 12.681 1.00 0.00 C ATOM 795 OG1 THR A 57 84.193 -3.426 13.952 1.00 0.00 O ATOM 796 CG2 THR A 57 85.026 -5.381 12.817 1.00 0.00 C ATOM 0 H THR A 57 86.842 -2.579 13.923 1.00 0.00 H new ATOM 0 HA THR A 57 86.079 -3.455 11.177 1.00 0.00 H new ATOM 0 HB THR A 57 83.751 -3.858 11.987 1.00 0.00 H new ATOM 0 HG1 THR A 57 83.444 -3.959 14.292 1.00 0.00 H new ATOM 0 HG21 THR A 57 84.194 -5.976 13.194 1.00 0.00 H new ATOM 0 HG22 THR A 57 85.332 -5.761 11.843 1.00 0.00 H new ATOM 0 HG23 THR A 57 85.863 -5.447 13.512 1.00 0.00 H new ATOM 804 N SER A 58 84.903 -1.265 10.823 1.00 0.00 N ATOM 805 CA SER A 58 84.390 0.113 10.570 1.00 0.00 C ATOM 806 C SER A 58 82.923 -0.040 10.194 1.00 0.00 C ATOM 807 O SER A 58 82.588 -0.845 9.353 1.00 0.00 O ATOM 808 CB SER A 58 85.156 0.745 9.405 1.00 0.00 C ATOM 809 OG SER A 58 84.546 1.981 9.054 1.00 0.00 O ATOM 0 H SER A 58 84.909 -1.872 10.003 1.00 0.00 H new ATOM 0 HA SER A 58 84.515 0.751 11.445 1.00 0.00 H new ATOM 0 HB2 SER A 58 86.197 0.907 9.685 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.158 0.071 8.548 1.00 0.00 H new ATOM 0 HG SER A 58 85.036 2.388 8.309 1.00 0.00 H new ATOM 815 N ASN A 59 82.036 0.700 10.808 1.00 0.00 N ATOM 816 CA ASN A 59 80.584 0.551 10.475 1.00 0.00 C ATOM 817 C ASN A 59 79.978 1.921 10.211 1.00 0.00 C ATOM 818 O ASN A 59 79.909 2.754 11.094 1.00 0.00 O ATOM 819 CB ASN A 59 79.864 -0.089 11.665 1.00 0.00 C ATOM 820 CG ASN A 59 80.690 -1.262 12.194 1.00 0.00 C ATOM 821 OD1 ASN A 59 81.371 -1.928 11.443 1.00 0.00 O ATOM 822 ND2 ASN A 59 80.658 -1.542 13.469 1.00 0.00 N ATOM 0 H ASN A 59 82.250 1.397 11.521 1.00 0.00 H new ATOM 0 HA ASN A 59 80.475 -0.074 9.588 1.00 0.00 H new ATOM 0 HB2 ASN A 59 79.716 0.649 12.453 1.00 0.00 H new ATOM 0 HB3 ASN A 59 78.876 -0.435 11.362 1.00 0.00 H new ATOM 0 HD21 ASN A 59 81.206 -2.321 13.834 1.00 0.00 H new ATOM 0 HD22 ASN A 59 80.085 -0.982 14.100 1.00 0.00 H new ATOM 829 N PHE A 60 79.509 2.151 9.007 1.00 0.00 N ATOM 830 CA PHE A 60 78.869 3.460 8.680 1.00 0.00 C ATOM 831 C PHE A 60 77.412 3.199 8.315 1.00 0.00 C ATOM 832 O PHE A 60 77.114 2.478 7.383 1.00 0.00 O ATOM 833 CB PHE A 60 79.599 4.118 7.504 1.00 0.00 C ATOM 834 CG PHE A 60 79.495 3.239 6.281 1.00 0.00 C ATOM 835 CD1 PHE A 60 80.437 2.227 6.065 1.00 0.00 C ATOM 836 CD2 PHE A 60 78.456 3.436 5.362 1.00 0.00 C ATOM 837 CE1 PHE A 60 80.342 1.411 4.932 1.00 0.00 C ATOM 838 CE2 PHE A 60 78.360 2.620 4.228 1.00 0.00 C ATOM 839 CZ PHE A 60 79.304 1.607 4.013 1.00 0.00 C ATOM 0 H PHE A 60 79.543 1.484 8.236 1.00 0.00 H new ATOM 0 HA PHE A 60 78.924 4.132 9.536 1.00 0.00 H new ATOM 0 HB2 PHE A 60 79.166 5.097 7.297 1.00 0.00 H new ATOM 0 HB3 PHE A 60 80.646 4.280 7.759 1.00 0.00 H new ATOM 0 HD1 PHE A 60 81.238 2.076 6.773 1.00 0.00 H new ATOM 0 HD2 PHE A 60 77.729 4.217 5.528 1.00 0.00 H new ATOM 0 HE1 PHE A 60 81.069 0.630 4.767 1.00 0.00 H new ATOM 0 HE2 PHE A 60 77.559 2.771 3.520 1.00 0.00 H new ATOM 0 HZ PHE A 60 79.231 0.977 3.138 1.00 0.00 H new ATOM 849 N LYS A 61 76.504 3.790 9.041 1.00 0.00 N ATOM 850 CA LYS A 61 75.060 3.612 8.761 1.00 0.00 C ATOM 851 C LYS A 61 74.542 4.932 8.221 1.00 0.00 C ATOM 852 O LYS A 61 74.965 5.995 8.632 1.00 0.00 O ATOM 853 CB LYS A 61 74.318 3.252 10.050 1.00 0.00 C ATOM 854 CG LYS A 61 72.825 3.092 9.750 1.00 0.00 C ATOM 855 CD LYS A 61 72.124 2.427 10.940 1.00 0.00 C ATOM 856 CE LYS A 61 72.288 3.289 12.196 1.00 0.00 C ATOM 857 NZ LYS A 61 71.242 2.911 13.189 1.00 0.00 N ATOM 0 H LYS A 61 76.711 4.400 9.832 1.00 0.00 H new ATOM 0 HA LYS A 61 74.902 2.808 8.042 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.718 2.327 10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 61 74.468 4.030 10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 61 72.378 4.066 9.551 1.00 0.00 H new ATOM 0 HG3 LYS A 61 72.688 2.489 8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 61 71.065 2.291 10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 61 72.544 1.436 11.112 1.00 0.00 H new ATOM 0 HE2 LYS A 61 73.281 3.146 12.623 1.00 0.00 H new ATOM 0 HE3 LYS A 61 72.200 4.345 11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 71.349 3.493 14.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 70.300 3.069 12.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 71.347 1.907 13.439 1.00 0.00 H new ATOM 871 N GLY A 62 73.640 4.879 7.306 1.00 0.00 N ATOM 872 CA GLY A 62 73.095 6.138 6.727 1.00 0.00 C ATOM 873 C GLY A 62 71.935 5.816 5.791 1.00 0.00 C ATOM 874 O GLY A 62 71.523 4.681 5.671 1.00 0.00 O ATOM 0 H GLY A 62 73.247 4.019 6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 62 72.758 6.800 7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 62 73.877 6.667 6.183 1.00 0.00 H new ATOM 878 N VAL A 63 71.405 6.814 5.127 1.00 0.00 N ATOM 879 CA VAL A 63 70.263 6.595 4.183 1.00 0.00 C ATOM 880 C VAL A 63 70.663 7.044 2.777 1.00 0.00 C ATOM 881 O VAL A 63 71.156 8.138 2.585 1.00 0.00 O ATOM 882 CB VAL A 63 69.056 7.408 4.657 1.00 0.00 C ATOM 883 CG1 VAL A 63 67.886 7.197 3.693 1.00 0.00 C ATOM 884 CG2 VAL A 63 68.651 6.932 6.055 1.00 0.00 C ATOM 0 H VAL A 63 71.718 7.782 5.199 1.00 0.00 H new ATOM 0 HA VAL A 63 70.006 5.536 4.161 1.00 0.00 H new ATOM 0 HB VAL A 63 69.315 8.466 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 63 67.027 7.776 4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.174 7.525 2.694 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.623 6.140 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 63 67.791 7.506 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.389 5.875 6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 63 69.484 7.076 6.744 1.00 0.00 H new ATOM 894 N VAL A 64 70.455 6.211 1.789 1.00 0.00 N ATOM 895 CA VAL A 64 70.824 6.589 0.391 1.00 0.00 C ATOM 896 C VAL A 64 69.585 7.122 -0.338 1.00 0.00 C ATOM 897 O VAL A 64 68.567 6.458 -0.426 1.00 0.00 O ATOM 898 CB VAL A 64 71.385 5.357 -0.346 1.00 0.00 C ATOM 899 CG1 VAL A 64 70.250 4.422 -0.782 1.00 0.00 C ATOM 900 CG2 VAL A 64 72.166 5.814 -1.581 1.00 0.00 C ATOM 0 H VAL A 64 70.044 5.283 1.891 1.00 0.00 H new ATOM 0 HA VAL A 64 71.587 7.367 0.411 1.00 0.00 H new ATOM 0 HB VAL A 64 72.043 4.816 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 64 70.668 3.559 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 64 69.698 4.086 0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 64 69.576 4.956 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.563 4.943 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 64 71.503 6.365 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 64 72.989 6.459 -1.273 1.00 0.00 H new ATOM 910 N THR A 65 69.673 8.318 -0.865 1.00 0.00 N ATOM 911 CA THR A 65 68.522 8.920 -1.608 1.00 0.00 C ATOM 912 C THR A 65 69.061 9.563 -2.893 1.00 0.00 C ATOM 913 O THR A 65 70.191 10.009 -2.929 1.00 0.00 O ATOM 914 CB THR A 65 67.853 9.994 -0.740 1.00 0.00 C ATOM 915 OG1 THR A 65 68.853 10.789 -0.121 1.00 0.00 O ATOM 916 CG2 THR A 65 66.981 9.335 0.339 1.00 0.00 C ATOM 0 H THR A 65 70.502 8.910 -0.812 1.00 0.00 H new ATOM 0 HA THR A 65 67.788 8.151 -1.849 1.00 0.00 H new ATOM 0 HB THR A 65 67.222 10.621 -1.371 1.00 0.00 H new ATOM 0 HG1 THR A 65 68.428 11.477 0.433 1.00 0.00 H new ATOM 0 HG21 THR A 65 66.511 10.107 0.949 1.00 0.00 H new ATOM 0 HG22 THR A 65 66.210 8.729 -0.136 1.00 0.00 H new ATOM 0 HG23 THR A 65 67.602 8.701 0.972 1.00 0.00 H new ATOM 924 N PRO A 66 68.279 9.617 -3.946 1.00 0.00 N ATOM 925 CA PRO A 66 68.727 10.220 -5.232 1.00 0.00 C ATOM 926 C PRO A 66 69.546 11.505 -5.035 1.00 0.00 C ATOM 927 O PRO A 66 70.328 11.881 -5.886 1.00 0.00 O ATOM 928 CB PRO A 66 67.410 10.527 -5.952 1.00 0.00 C ATOM 929 CG PRO A 66 66.453 9.483 -5.468 1.00 0.00 C ATOM 930 CD PRO A 66 66.891 9.118 -4.039 1.00 0.00 C ATOM 0 HA PRO A 66 69.390 9.553 -5.783 1.00 0.00 H new ATOM 0 HB2 PRO A 66 67.054 11.529 -5.714 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.531 10.480 -7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 66 65.430 9.860 -5.476 1.00 0.00 H new ATOM 0 HG3 PRO A 66 66.474 8.607 -6.116 1.00 0.00 H new ATOM 0 HD2 PRO A 66 66.249 9.587 -3.294 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.842 8.042 -3.870 1.00 0.00 H new ATOM 938 N SER A 67 69.358 12.191 -3.932 1.00 0.00 N ATOM 939 CA SER A 67 70.111 13.468 -3.694 1.00 0.00 C ATOM 940 C SER A 67 71.264 13.250 -2.704 1.00 0.00 C ATOM 941 O SER A 67 72.212 14.009 -2.686 1.00 0.00 O ATOM 942 CB SER A 67 69.148 14.509 -3.121 1.00 0.00 C ATOM 943 OG SER A 67 69.890 15.506 -2.430 1.00 0.00 O ATOM 0 H SER A 67 68.716 11.923 -3.186 1.00 0.00 H new ATOM 0 HA SER A 67 70.529 13.811 -4.641 1.00 0.00 H new ATOM 0 HB2 SER A 67 68.566 14.963 -3.923 1.00 0.00 H new ATOM 0 HB3 SER A 67 68.440 14.032 -2.444 1.00 0.00 H new ATOM 0 HG SER A 67 69.276 16.175 -2.063 1.00 0.00 H new ATOM 949 N THR A 68 71.194 12.230 -1.878 1.00 0.00 N ATOM 950 CA THR A 68 72.293 11.976 -0.883 1.00 0.00 C ATOM 951 C THR A 68 72.860 10.556 -1.077 1.00 0.00 C ATOM 952 O THR A 68 72.218 9.588 -0.717 1.00 0.00 O ATOM 953 CB THR A 68 71.712 12.082 0.531 1.00 0.00 C ATOM 954 OG1 THR A 68 71.063 13.337 0.681 1.00 0.00 O ATOM 955 CG2 THR A 68 72.840 11.963 1.556 1.00 0.00 C ATOM 0 H THR A 68 70.424 11.562 -1.849 1.00 0.00 H new ATOM 0 HA THR A 68 73.088 12.708 -1.028 1.00 0.00 H new ATOM 0 HB THR A 68 70.992 11.279 0.691 1.00 0.00 H new ATOM 0 HG1 THR A 68 70.689 13.406 1.584 1.00 0.00 H new ATOM 0 HG21 THR A 68 72.427 12.038 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 68 73.338 11.000 1.439 1.00 0.00 H new ATOM 0 HG23 THR A 68 73.561 12.765 1.399 1.00 0.00 H new ATOM 963 N PRO A 69 74.053 10.415 -1.620 1.00 0.00 N ATOM 964 CA PRO A 69 74.686 9.081 -1.825 1.00 0.00 C ATOM 965 C PRO A 69 75.515 8.632 -0.611 1.00 0.00 C ATOM 966 O PRO A 69 75.870 9.429 0.234 1.00 0.00 O ATOM 967 CB PRO A 69 75.592 9.332 -3.029 1.00 0.00 C ATOM 968 CG PRO A 69 76.066 10.742 -2.849 1.00 0.00 C ATOM 969 CD PRO A 69 74.936 11.493 -2.115 1.00 0.00 C ATOM 0 HA PRO A 69 73.953 8.287 -1.969 1.00 0.00 H new ATOM 0 HB2 PRO A 69 76.427 8.632 -3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 69 75.050 9.211 -3.967 1.00 0.00 H new ATOM 0 HG2 PRO A 69 76.990 10.770 -2.271 1.00 0.00 H new ATOM 0 HG3 PRO A 69 76.278 11.206 -3.812 1.00 0.00 H new ATOM 0 HD2 PRO A 69 75.325 12.098 -1.296 1.00 0.00 H new ATOM 0 HD3 PRO A 69 74.404 12.168 -2.785 1.00 0.00 H new ATOM 977 N VAL A 70 75.831 7.359 -0.532 1.00 0.00 N ATOM 978 CA VAL A 70 76.649 6.836 0.613 1.00 0.00 C ATOM 979 C VAL A 70 77.935 6.217 0.049 1.00 0.00 C ATOM 980 O VAL A 70 77.894 5.396 -0.845 1.00 0.00 O ATOM 981 CB VAL A 70 75.847 5.766 1.358 1.00 0.00 C ATOM 982 CG1 VAL A 70 76.670 5.231 2.530 1.00 0.00 C ATOM 983 CG2 VAL A 70 74.549 6.379 1.886 1.00 0.00 C ATOM 0 H VAL A 70 75.555 6.655 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 70 76.896 7.643 1.302 1.00 0.00 H new ATOM 0 HB VAL A 70 75.614 4.948 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.097 4.469 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 70 77.596 4.794 2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 70 76.905 6.048 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.977 5.618 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 70 74.784 7.197 2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 70 73.960 6.759 1.051 1.00 0.00 H new ATOM 993 N ASN A 71 79.078 6.620 0.553 1.00 0.00 N ATOM 994 CA ASN A 71 80.378 6.076 0.034 1.00 0.00 C ATOM 995 C ASN A 71 80.969 5.053 1.011 1.00 0.00 C ATOM 996 O ASN A 71 81.096 5.313 2.191 1.00 0.00 O ATOM 997 CB ASN A 71 81.368 7.234 -0.124 1.00 0.00 C ATOM 998 CG ASN A 71 82.619 6.738 -0.854 1.00 0.00 C ATOM 999 OD1 ASN A 71 82.768 5.557 -1.095 1.00 0.00 O ATOM 1000 ND2 ASN A 71 83.531 7.598 -1.220 1.00 0.00 N ATOM 0 H ASN A 71 79.168 7.304 1.304 1.00 0.00 H new ATOM 0 HA ASN A 71 80.197 5.586 -0.923 1.00 0.00 H new ATOM 0 HB2 ASN A 71 80.906 8.048 -0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 71 81.638 7.632 0.854 1.00 0.00 H new ATOM 0 HD21 ASN A 71 84.368 7.278 -1.708 1.00 0.00 H new ATOM 0 HD22 ASN A 71 83.407 8.590 -1.018 1.00 0.00 H new ATOM 1007 N THR A 72 81.365 3.900 0.531 1.00 0.00 N ATOM 1008 CA THR A 72 81.985 2.868 1.426 1.00 0.00 C ATOM 1009 C THR A 72 83.503 3.001 1.290 1.00 0.00 C ATOM 1010 O THR A 72 84.257 2.168 1.753 1.00 0.00 O ATOM 1011 CB THR A 72 81.550 1.446 0.983 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.657 0.754 0.417 1.00 0.00 O ATOM 1013 CG2 THR A 72 80.434 1.531 -0.063 1.00 0.00 C ATOM 0 H THR A 72 81.286 3.626 -0.448 1.00 0.00 H new ATOM 0 HA THR A 72 81.668 3.018 2.458 1.00 0.00 H new ATOM 0 HB THR A 72 81.186 0.910 1.860 1.00 0.00 H new ATOM 0 HG1 THR A 72 83.433 0.838 1.010 1.00 0.00 H new ATOM 0 HG21 THR A 72 80.140 0.525 -0.364 1.00 0.00 H new ATOM 0 HG22 THR A 72 79.574 2.048 0.363 1.00 0.00 H new ATOM 0 HG23 THR A 72 80.793 2.080 -0.934 1.00 0.00 H new ATOM 1021 N ASN A 73 83.949 4.039 0.636 1.00 0.00 N ATOM 1022 CA ASN A 73 85.410 4.227 0.442 1.00 0.00 C ATOM 1023 C ASN A 73 86.045 4.729 1.736 1.00 0.00 C ATOM 1024 O ASN A 73 86.700 5.752 1.764 1.00 0.00 O ATOM 1025 CB ASN A 73 85.656 5.242 -0.676 1.00 0.00 C ATOM 1026 CG ASN A 73 87.130 5.198 -1.085 1.00 0.00 C ATOM 1027 OD1 ASN A 73 87.980 4.841 -0.294 1.00 0.00 O ATOM 1028 ND2 ASN A 73 87.469 5.544 -2.296 1.00 0.00 N ATOM 0 H ASN A 73 83.361 4.765 0.228 1.00 0.00 H new ATOM 0 HA ASN A 73 85.858 3.272 0.169 1.00 0.00 H new ATOM 0 HB2 ASN A 73 85.022 5.016 -1.533 1.00 0.00 H new ATOM 0 HB3 ASN A 73 85.390 6.244 -0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 73 88.448 5.515 -2.579 1.00 0.00 H new ATOM 0 HD22 ASN A 73 86.755 5.844 -2.960 1.00 0.00 H new ATOM 1035 N GLN A 74 85.879 3.999 2.800 1.00 0.00 N ATOM 1036 CA GLN A 74 86.499 4.414 4.087 1.00 0.00 C ATOM 1037 C GLN A 74 88.015 4.378 3.902 1.00 0.00 C ATOM 1038 O GLN A 74 88.506 4.475 2.795 1.00 0.00 O ATOM 1039 CB GLN A 74 86.084 3.449 5.209 1.00 0.00 C ATOM 1040 CG GLN A 74 86.335 1.990 4.789 1.00 0.00 C ATOM 1041 CD GLN A 74 87.813 1.640 4.976 1.00 0.00 C ATOM 1042 OE1 GLN A 74 88.431 1.071 4.098 1.00 0.00 O ATOM 1043 NE2 GLN A 74 88.407 1.951 6.095 1.00 0.00 N ATOM 0 H GLN A 74 85.341 3.133 2.835 1.00 0.00 H new ATOM 0 HA GLN A 74 86.170 5.416 4.363 1.00 0.00 H new ATOM 0 HB2 GLN A 74 86.646 3.674 6.116 1.00 0.00 H new ATOM 0 HB3 GLN A 74 85.029 3.589 5.445 1.00 0.00 H new ATOM 0 HG2 GLN A 74 85.716 1.319 5.385 1.00 0.00 H new ATOM 0 HG3 GLN A 74 86.048 1.848 3.747 1.00 0.00 H new ATOM 0 HE21 GLN A 74 87.888 2.429 6.832 1.00 0.00 H new ATOM 0 HE22 GLN A 74 89.390 1.717 6.233 1.00 0.00 H new ATOM 1052 N ASP A 75 88.771 4.235 4.951 1.00 0.00 N ATOM 1053 CA ASP A 75 90.247 4.190 4.772 1.00 0.00 C ATOM 1054 C ASP A 75 90.623 2.839 4.159 1.00 0.00 C ATOM 1055 O ASP A 75 90.673 1.828 4.831 1.00 0.00 O ATOM 1056 CB ASP A 75 90.938 4.365 6.127 1.00 0.00 C ATOM 1057 CG ASP A 75 90.828 5.825 6.574 1.00 0.00 C ATOM 1058 OD1 ASP A 75 90.774 6.687 5.712 1.00 0.00 O ATOM 1059 OD2 ASP A 75 90.803 6.057 7.772 1.00 0.00 O ATOM 0 H ASP A 75 88.438 4.148 5.911 1.00 0.00 H new ATOM 0 HA ASP A 75 90.569 4.995 4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 75 90.478 3.711 6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 75 91.986 4.075 6.052 1.00 0.00 H new ATOM 1064 N ILE A 76 90.877 2.820 2.877 1.00 0.00 N ATOM 1065 CA ILE A 76 91.240 1.544 2.193 1.00 0.00 C ATOM 1066 C ILE A 76 92.714 1.221 2.439 1.00 0.00 C ATOM 1067 O ILE A 76 93.188 0.153 2.110 1.00 0.00 O ATOM 1068 CB ILE A 76 90.987 1.676 0.688 1.00 0.00 C ATOM 1069 CG1 ILE A 76 89.500 1.959 0.451 1.00 0.00 C ATOM 1070 CG2 ILE A 76 91.381 0.375 -0.018 1.00 0.00 C ATOM 1071 CD1 ILE A 76 89.274 2.314 -1.019 1.00 0.00 C ATOM 0 H ILE A 76 90.848 3.639 2.270 1.00 0.00 H new ATOM 0 HA ILE A 76 90.626 0.738 2.594 1.00 0.00 H new ATOM 0 HB ILE A 76 91.585 2.495 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 76 88.906 1.086 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 76 89.169 2.779 1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 76 91.200 0.473 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 76 92.438 0.173 0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 76 90.786 -0.448 0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 76 88.216 2.515 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 76 89.856 3.200 -1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 76 89.589 1.481 -1.647 1.00 0.00 H new ATOM 1083 N ASN A 77 93.450 2.136 3.004 1.00 0.00 N ATOM 1084 CA ASN A 77 94.894 1.867 3.237 1.00 0.00 C ATOM 1085 C ASN A 77 95.042 0.631 4.127 1.00 0.00 C ATOM 1086 O ASN A 77 95.861 -0.223 3.867 1.00 0.00 O ATOM 1087 CB ASN A 77 95.534 3.076 3.922 1.00 0.00 C ATOM 1088 CG ASN A 77 97.020 2.803 4.165 1.00 0.00 C ATOM 1089 OD1 ASN A 77 97.548 1.809 3.709 1.00 0.00 O ATOM 1090 ND2 ASN A 77 97.719 3.651 4.868 1.00 0.00 N ATOM 0 H ASN A 77 93.118 3.050 3.312 1.00 0.00 H new ATOM 0 HA ASN A 77 95.392 1.689 2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 77 95.414 3.964 3.301 1.00 0.00 H new ATOM 0 HB3 ASN A 77 95.032 3.278 4.868 1.00 0.00 H new ATOM 0 HD21 ASN A 77 98.710 3.480 5.035 1.00 0.00 H new ATOM 0 HD22 ASN A 77 97.274 4.485 5.250 1.00 0.00 H new ATOM 1097 N LYS A 78 94.260 0.517 5.166 1.00 0.00 N ATOM 1098 CA LYS A 78 94.370 -0.686 6.043 1.00 0.00 C ATOM 1099 C LYS A 78 93.849 -1.920 5.294 1.00 0.00 C ATOM 1100 O LYS A 78 94.400 -2.997 5.395 1.00 0.00 O ATOM 1101 CB LYS A 78 93.562 -0.470 7.323 1.00 0.00 C ATOM 1102 CG LYS A 78 92.070 -0.425 6.989 1.00 0.00 C ATOM 1103 CD LYS A 78 91.277 0.070 8.208 1.00 0.00 C ATOM 1104 CE LYS A 78 91.613 1.543 8.514 1.00 0.00 C ATOM 1105 NZ LYS A 78 90.413 2.213 9.087 1.00 0.00 N ATOM 0 H LYS A 78 93.554 1.199 5.445 1.00 0.00 H new ATOM 0 HA LYS A 78 95.415 -0.845 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.762 -1.274 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.865 0.460 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 78 91.898 0.236 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 78 91.724 -1.416 6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 78 90.208 -0.033 8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 78 91.509 -0.549 9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 78 92.445 1.600 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 78 91.928 2.053 7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 90.636 3.207 9.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 89.631 2.169 8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 90.132 1.731 9.965 1.00 0.00 H new ATOM 1119 N THR A 79 92.791 -1.778 4.538 1.00 0.00 N ATOM 1120 CA THR A 79 92.254 -2.951 3.789 1.00 0.00 C ATOM 1121 C THR A 79 93.347 -3.457 2.841 1.00 0.00 C ATOM 1122 O THR A 79 93.647 -4.627 2.792 1.00 0.00 O ATOM 1123 CB THR A 79 90.984 -2.512 3.027 1.00 0.00 C ATOM 1124 OG1 THR A 79 89.841 -2.942 3.746 1.00 0.00 O ATOM 1125 CG2 THR A 79 90.925 -3.089 1.605 1.00 0.00 C ATOM 0 H THR A 79 92.279 -0.906 4.408 1.00 0.00 H new ATOM 0 HA THR A 79 91.978 -3.765 4.459 1.00 0.00 H new ATOM 0 HB THR A 79 91.010 -1.426 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 79 89.031 -2.665 3.269 1.00 0.00 H new ATOM 0 HG21 THR A 79 90.013 -2.750 1.113 1.00 0.00 H new ATOM 0 HG22 THR A 79 91.792 -2.749 1.038 1.00 0.00 H new ATOM 0 HG23 THR A 79 90.928 -4.178 1.654 1.00 0.00 H new ATOM 1133 N ASN A 80 93.963 -2.582 2.109 1.00 0.00 N ATOM 1134 CA ASN A 80 95.052 -3.021 1.199 1.00 0.00 C ATOM 1135 C ASN A 80 96.153 -3.671 2.038 1.00 0.00 C ATOM 1136 O ASN A 80 96.804 -4.606 1.615 1.00 0.00 O ATOM 1137 CB ASN A 80 95.616 -1.816 0.444 1.00 0.00 C ATOM 1138 CG ASN A 80 96.734 -2.279 -0.493 1.00 0.00 C ATOM 1139 OD1 ASN A 80 96.945 -3.463 -0.666 1.00 0.00 O ATOM 1140 ND2 ASN A 80 97.463 -1.389 -1.110 1.00 0.00 N ATOM 0 H ASN A 80 93.762 -1.582 2.099 1.00 0.00 H new ATOM 0 HA ASN A 80 94.665 -3.736 0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 80 94.826 -1.329 -0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 80 96.000 -1.079 1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 80 98.210 -1.688 -1.737 1.00 0.00 H new ATOM 0 HD22 ASN A 80 97.286 -0.395 -0.965 1.00 0.00 H new ATOM 1147 N LYS A 81 96.373 -3.170 3.222 1.00 0.00 N ATOM 1148 CA LYS A 81 97.441 -3.737 4.092 1.00 0.00 C ATOM 1149 C LYS A 81 97.117 -5.187 4.479 1.00 0.00 C ATOM 1150 O LYS A 81 97.951 -6.061 4.342 1.00 0.00 O ATOM 1151 CB LYS A 81 97.548 -2.893 5.366 1.00 0.00 C ATOM 1152 CG LYS A 81 98.750 -3.346 6.197 1.00 0.00 C ATOM 1153 CD LYS A 81 98.744 -2.602 7.533 1.00 0.00 C ATOM 1154 CE LYS A 81 99.945 -3.045 8.370 1.00 0.00 C ATOM 1155 NZ LYS A 81 99.847 -2.450 9.734 1.00 0.00 N ATOM 0 H LYS A 81 95.856 -2.389 3.626 1.00 0.00 H new ATOM 0 HA LYS A 81 98.383 -3.723 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 81 97.652 -1.840 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 81 96.634 -2.988 5.952 1.00 0.00 H new ATOM 0 HG2 LYS A 81 98.706 -4.422 6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 81 99.676 -3.145 5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 81 98.783 -1.526 7.362 1.00 0.00 H new ATOM 0 HD3 LYS A 81 97.818 -2.806 8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 81 99.974 -4.133 8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 81 100.872 -2.731 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 100.663 -2.751 10.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 99.840 -1.413 9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 98.969 -2.771 10.190 1.00 0.00 H new ATOM 1169 N VAL A 82 95.929 -5.451 4.992 1.00 0.00 N ATOM 1170 CA VAL A 82 95.581 -6.853 5.421 1.00 0.00 C ATOM 1171 C VAL A 82 94.430 -7.437 4.585 1.00 0.00 C ATOM 1172 O VAL A 82 94.332 -8.637 4.423 1.00 0.00 O ATOM 1173 CB VAL A 82 95.189 -6.845 6.902 1.00 0.00 C ATOM 1174 CG1 VAL A 82 96.225 -6.066 7.707 1.00 0.00 C ATOM 1175 CG2 VAL A 82 93.825 -6.183 7.101 1.00 0.00 C ATOM 0 H VAL A 82 95.191 -4.761 5.131 1.00 0.00 H new ATOM 0 HA VAL A 82 96.457 -7.483 5.264 1.00 0.00 H new ATOM 0 HB VAL A 82 95.142 -7.879 7.243 1.00 0.00 H new ATOM 0 HG11 VAL A 82 95.941 -6.064 8.759 1.00 0.00 H new ATOM 0 HG12 VAL A 82 97.202 -6.537 7.596 1.00 0.00 H new ATOM 0 HG13 VAL A 82 96.273 -5.040 7.342 1.00 0.00 H new ATOM 0 HG21 VAL A 82 93.569 -6.189 8.160 1.00 0.00 H new ATOM 0 HG22 VAL A 82 93.864 -5.154 6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 82 93.068 -6.733 6.541 1.00 0.00 H new ATOM 1185 N GLY A 83 93.568 -6.619 4.042 1.00 0.00 N ATOM 1186 CA GLY A 83 92.449 -7.151 3.210 1.00 0.00 C ATOM 1187 C GLY A 83 91.199 -7.352 4.067 1.00 0.00 C ATOM 1188 O GLY A 83 91.245 -7.333 5.280 1.00 0.00 O ATOM 0 H GLY A 83 93.590 -5.604 4.139 1.00 0.00 H new ATOM 0 HA2 GLY A 83 92.232 -6.460 2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 83 92.743 -8.097 2.756 1.00 0.00 H new ATOM 1192 N VAL A 84 90.081 -7.546 3.421 1.00 0.00 N ATOM 1193 CA VAL A 84 88.784 -7.758 4.145 1.00 0.00 C ATOM 1194 C VAL A 84 88.331 -9.208 3.949 1.00 0.00 C ATOM 1195 O VAL A 84 88.292 -9.709 2.843 1.00 0.00 O ATOM 1196 CB VAL A 84 87.722 -6.814 3.567 1.00 0.00 C ATOM 1197 CG1 VAL A 84 86.395 -6.982 4.320 1.00 0.00 C ATOM 1198 CG2 VAL A 84 88.204 -5.368 3.705 1.00 0.00 C ATOM 0 H VAL A 84 90.006 -7.568 2.404 1.00 0.00 H new ATOM 0 HA VAL A 84 88.917 -7.554 5.207 1.00 0.00 H new ATOM 0 HB VAL A 84 87.565 -7.056 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.650 -6.306 3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 84 86.048 -8.011 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.543 -6.748 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 84 87.452 -4.693 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 84 88.364 -5.137 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.140 -5.243 3.160 1.00 0.00 H new ATOM 1208 N GLN A 85 87.992 -9.889 5.011 1.00 0.00 N ATOM 1209 CA GLN A 85 87.548 -11.305 4.872 1.00 0.00 C ATOM 1210 C GLN A 85 86.078 -11.366 4.425 1.00 0.00 C ATOM 1211 O GLN A 85 85.777 -11.824 3.340 1.00 0.00 O ATOM 1212 CB GLN A 85 87.696 -12.026 6.215 1.00 0.00 C ATOM 1213 CG GLN A 85 87.534 -13.534 6.004 1.00 0.00 C ATOM 1214 CD GLN A 85 87.497 -14.242 7.360 1.00 0.00 C ATOM 1215 OE1 GLN A 85 88.359 -14.036 8.191 1.00 0.00 O ATOM 1216 NE2 GLN A 85 86.524 -15.072 7.622 1.00 0.00 N ATOM 0 H GLN A 85 88.003 -9.527 5.965 1.00 0.00 H new ATOM 0 HA GLN A 85 88.169 -11.791 4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 85 88.672 -11.811 6.650 1.00 0.00 H new ATOM 0 HB3 GLN A 85 86.947 -11.664 6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.617 -13.737 5.451 1.00 0.00 H new ATOM 0 HG3 GLN A 85 88.359 -13.918 5.404 1.00 0.00 H new ATOM 0 HE21 GLN A 85 85.800 -15.245 6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 85 86.488 -15.547 8.524 1.00 0.00 H new ATOM 1225 N LYS A 86 85.158 -10.931 5.263 1.00 0.00 N ATOM 1226 CA LYS A 86 83.696 -10.988 4.901 1.00 0.00 C ATOM 1227 C LYS A 86 83.088 -9.582 4.794 1.00 0.00 C ATOM 1228 O LYS A 86 83.362 -8.707 5.593 1.00 0.00 O ATOM 1229 CB LYS A 86 82.948 -11.766 5.985 1.00 0.00 C ATOM 1230 CG LYS A 86 83.336 -13.243 5.910 1.00 0.00 C ATOM 1231 CD LYS A 86 82.591 -14.025 6.992 1.00 0.00 C ATOM 1232 CE LYS A 86 82.983 -15.501 6.913 1.00 0.00 C ATOM 1233 NZ LYS A 86 82.124 -16.294 7.836 1.00 0.00 N ATOM 0 H LYS A 86 85.356 -10.538 6.183 1.00 0.00 H new ATOM 0 HA LYS A 86 83.602 -11.478 3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.190 -11.365 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 86 81.872 -11.654 5.851 1.00 0.00 H new ATOM 0 HG2 LYS A 86 83.093 -13.643 4.926 1.00 0.00 H new ATOM 0 HG3 LYS A 86 84.412 -13.354 6.043 1.00 0.00 H new ATOM 0 HD2 LYS A 86 82.833 -13.625 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 86 81.515 -13.916 6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 86 82.869 -15.864 5.892 1.00 0.00 H new ATOM 0 HE3 LYS A 86 84.033 -15.624 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 82.391 -17.298 7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 82.254 -15.953 8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 81.127 -16.186 7.561 1.00 0.00 H new ATOM 1247 N TYR A 87 82.238 -9.380 3.813 1.00 0.00 N ATOM 1248 CA TYR A 87 81.556 -8.057 3.621 1.00 0.00 C ATOM 1249 C TYR A 87 80.034 -8.268 3.671 1.00 0.00 C ATOM 1250 O TYR A 87 79.516 -9.173 3.047 1.00 0.00 O ATOM 1251 CB TYR A 87 81.955 -7.487 2.257 1.00 0.00 C ATOM 1252 CG TYR A 87 81.218 -6.195 2.008 1.00 0.00 C ATOM 1253 CD1 TYR A 87 81.727 -4.990 2.506 1.00 0.00 C ATOM 1254 CD2 TYR A 87 80.023 -6.201 1.278 1.00 0.00 C ATOM 1255 CE1 TYR A 87 81.043 -3.792 2.274 1.00 0.00 C ATOM 1256 CE2 TYR A 87 79.338 -5.003 1.045 1.00 0.00 C ATOM 1257 CZ TYR A 87 79.849 -3.798 1.543 1.00 0.00 C ATOM 1258 OH TYR A 87 79.174 -2.616 1.312 1.00 0.00 O ATOM 0 H TYR A 87 81.984 -10.089 3.125 1.00 0.00 H new ATOM 0 HA TYR A 87 81.852 -7.362 4.407 1.00 0.00 H new ATOM 0 HB2 TYR A 87 83.031 -7.315 2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 87 81.724 -8.206 1.471 1.00 0.00 H new ATOM 0 HD1 TYR A 87 82.648 -4.985 3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 87 79.630 -7.131 0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 87 81.436 -2.863 2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 87 78.416 -5.008 0.482 1.00 0.00 H new ATOM 0 HH TYR A 87 79.815 -1.876 1.273 1.00 0.00 H new ATOM 1268 N ARG A 88 79.308 -7.450 4.407 1.00 0.00 N ATOM 1269 CA ARG A 88 77.813 -7.626 4.484 1.00 0.00 C ATOM 1270 C ARG A 88 77.102 -6.262 4.426 1.00 0.00 C ATOM 1271 O ARG A 88 77.467 -5.311 5.098 1.00 0.00 O ATOM 1272 CB ARG A 88 77.435 -8.360 5.792 1.00 0.00 C ATOM 1273 CG ARG A 88 78.516 -8.123 6.861 1.00 0.00 C ATOM 1274 CD ARG A 88 79.693 -9.113 6.694 1.00 0.00 C ATOM 1275 NE ARG A 88 80.960 -8.342 6.621 1.00 0.00 N ATOM 1276 CZ ARG A 88 81.316 -7.589 7.619 1.00 0.00 C ATOM 1277 NH1 ARG A 88 80.535 -7.476 8.659 1.00 0.00 N ATOM 1278 NH2 ARG A 88 82.455 -6.952 7.572 1.00 0.00 N ATOM 0 H ARG A 88 79.681 -6.674 4.954 1.00 0.00 H new ATOM 0 HA ARG A 88 77.491 -8.222 3.630 1.00 0.00 H new ATOM 0 HB2 ARG A 88 76.471 -8.003 6.153 1.00 0.00 H new ATOM 0 HB3 ARG A 88 77.329 -9.428 5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 88 78.885 -7.100 6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 88 78.080 -8.236 7.854 1.00 0.00 H new ATOM 0 HD2 ARG A 88 79.723 -9.809 7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 88 79.561 -9.708 5.790 1.00 0.00 H new ATOM 0 HE ARG A 88 81.549 -8.403 5.790 1.00 0.00 H new ATOM 0 HH11 ARG A 88 79.648 -7.978 8.687 1.00 0.00 H new ATOM 0 HH12 ARG A 88 80.812 -6.886 9.443 1.00 0.00 H new ATOM 0 HH21 ARG A 88 83.059 -7.047 6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 88 82.740 -6.359 8.352 1.00 0.00 H new ATOM 1292 N ALA A 89 76.076 -6.194 3.615 1.00 0.00 N ATOM 1293 CA ALA A 89 75.273 -4.940 3.456 1.00 0.00 C ATOM 1294 C ALA A 89 73.789 -5.240 3.738 1.00 0.00 C ATOM 1295 O ALA A 89 73.255 -6.230 3.281 1.00 0.00 O ATOM 1296 CB ALA A 89 75.425 -4.432 2.017 1.00 0.00 C ATOM 0 H ALA A 89 75.753 -6.974 3.042 1.00 0.00 H new ATOM 0 HA ALA A 89 75.627 -4.184 4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.844 -3.519 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.476 -4.225 1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 89 75.064 -5.191 1.323 1.00 0.00 H new ATOM 1302 N LEU A 90 73.121 -4.382 4.481 1.00 0.00 N ATOM 1303 CA LEU A 90 71.664 -4.597 4.790 1.00 0.00 C ATOM 1304 C LEU A 90 70.834 -3.488 4.132 1.00 0.00 C ATOM 1305 O LEU A 90 71.155 -2.322 4.244 1.00 0.00 O ATOM 1306 CB LEU A 90 71.439 -4.546 6.313 1.00 0.00 C ATOM 1307 CG LEU A 90 71.973 -5.831 6.984 1.00 0.00 C ATOM 1308 CD1 LEU A 90 73.478 -5.708 7.246 1.00 0.00 C ATOM 1309 CD2 LEU A 90 71.249 -6.052 8.318 1.00 0.00 C ATOM 0 H LEU A 90 73.524 -3.538 4.889 1.00 0.00 H new ATOM 0 HA LEU A 90 71.360 -5.571 4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 90 71.942 -3.674 6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 90 70.376 -4.433 6.526 1.00 0.00 H new ATOM 0 HG LEU A 90 71.792 -6.675 6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 90 73.841 -6.621 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 90 74.001 -5.556 6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 90 73.665 -4.859 7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 90 71.626 -6.959 8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 90 71.427 -5.200 8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 90 70.179 -6.155 8.138 1.00 0.00 H new ATOM 1321 N THR A 91 69.770 -3.843 3.440 1.00 0.00 N ATOM 1322 CA THR A 91 68.912 -2.809 2.762 1.00 0.00 C ATOM 1323 C THR A 91 67.440 -2.979 3.167 1.00 0.00 C ATOM 1324 O THR A 91 66.861 -4.039 3.032 1.00 0.00 O ATOM 1325 CB THR A 91 69.037 -2.970 1.245 1.00 0.00 C ATOM 1326 OG1 THR A 91 68.743 -4.313 0.887 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.458 -2.618 0.801 1.00 0.00 C ATOM 0 H THR A 91 69.459 -4.806 3.316 1.00 0.00 H new ATOM 0 HA THR A 91 69.248 -1.818 3.066 1.00 0.00 H new ATOM 0 HB THR A 91 68.333 -2.300 0.752 1.00 0.00 H new ATOM 0 HG1 THR A 91 69.452 -4.659 0.306 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.541 -2.734 -0.280 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.679 -1.586 1.073 1.00 0.00 H new ATOM 0 HG23 THR A 91 71.168 -3.283 1.293 1.00 0.00 H new ATOM 1335 N GLU A 92 66.842 -1.924 3.666 1.00 0.00 N ATOM 1336 CA GLU A 92 65.402 -1.979 4.096 1.00 0.00 C ATOM 1337 C GLU A 92 64.636 -0.765 3.552 1.00 0.00 C ATOM 1338 O GLU A 92 65.193 0.294 3.359 1.00 0.00 O ATOM 1339 CB GLU A 92 65.330 -1.982 5.626 1.00 0.00 C ATOM 1340 CG GLU A 92 63.870 -2.101 6.074 1.00 0.00 C ATOM 1341 CD GLU A 92 63.810 -2.176 7.600 1.00 0.00 C ATOM 1342 OE1 GLU A 92 64.864 -2.197 8.215 1.00 0.00 O ATOM 1343 OE2 GLU A 92 62.712 -2.217 8.129 1.00 0.00 O ATOM 0 H GLU A 92 67.291 -1.018 3.796 1.00 0.00 H new ATOM 0 HA GLU A 92 64.949 -2.888 3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 92 65.912 -2.813 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 92 65.769 -1.066 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 92 63.298 -1.244 5.719 1.00 0.00 H new ATOM 0 HG3 GLU A 92 63.416 -2.990 5.637 1.00 0.00 H new ATOM 1350 N TRP A 93 63.355 -0.907 3.326 1.00 0.00 N ATOM 1351 CA TRP A 93 62.546 0.245 2.822 1.00 0.00 C ATOM 1352 C TRP A 93 62.407 1.286 3.947 1.00 0.00 C ATOM 1353 O TRP A 93 62.238 0.944 5.100 1.00 0.00 O ATOM 1354 CB TRP A 93 61.151 -0.249 2.404 1.00 0.00 C ATOM 1355 CG TRP A 93 61.208 -0.890 1.048 1.00 0.00 C ATOM 1356 CD1 TRP A 93 61.409 -2.209 0.814 1.00 0.00 C ATOM 1357 CD2 TRP A 93 61.052 -0.264 -0.260 1.00 0.00 C ATOM 1358 NE1 TRP A 93 61.386 -2.429 -0.554 1.00 0.00 N ATOM 1359 CE2 TRP A 93 61.169 -1.261 -1.258 1.00 0.00 C ATOM 1360 CE3 TRP A 93 60.823 1.058 -0.669 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 61.060 -0.951 -2.620 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 60.714 1.375 -2.035 1.00 0.00 C ATOM 1363 CH2 TRP A 93 60.833 0.371 -3.007 1.00 0.00 C ATOM 0 H TRP A 93 62.833 -1.772 3.469 1.00 0.00 H new ATOM 0 HA TRP A 93 63.040 0.694 1.960 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.777 -0.965 3.136 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.451 0.587 2.389 1.00 0.00 H new ATOM 0 HD1 TRP A 93 61.562 -2.965 1.570 1.00 0.00 H new ATOM 0 HE1 TRP A 93 61.514 -3.343 -0.988 1.00 0.00 H new ATOM 0 HE3 TRP A 93 60.730 1.839 0.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 61.151 -1.728 -3.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 60.538 2.397 -2.337 1.00 0.00 H new ATOM 0 HH2 TRP A 93 60.749 0.620 -4.054 1.00 0.00 H new ATOM 1374 N VAL A 94 62.481 2.555 3.613 1.00 0.00 N ATOM 1375 CA VAL A 94 62.360 3.639 4.648 1.00 0.00 C ATOM 1376 C VAL A 94 61.119 4.487 4.351 1.00 0.00 C ATOM 1377 O VAL A 94 60.970 5.024 3.270 1.00 0.00 O ATOM 1378 CB VAL A 94 63.604 4.539 4.590 1.00 0.00 C ATOM 1379 CG1 VAL A 94 63.565 5.570 5.727 1.00 0.00 C ATOM 1380 CG2 VAL A 94 64.865 3.683 4.733 1.00 0.00 C ATOM 0 H VAL A 94 62.621 2.890 2.660 1.00 0.00 H new ATOM 0 HA VAL A 94 62.274 3.189 5.637 1.00 0.00 H new ATOM 0 HB VAL A 94 63.616 5.059 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.452 6.202 5.676 1.00 0.00 H new ATOM 0 HG12 VAL A 94 62.673 6.188 5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 94 63.543 5.053 6.686 1.00 0.00 H new ATOM 0 HG21 VAL A 94 65.746 4.323 4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 94 64.842 3.158 5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 94 64.906 2.957 3.921 1.00 0.00 H new ATOM 1390 N GLY A 95 60.234 4.622 5.304 1.00 0.00 N ATOM 1391 CA GLY A 95 59.009 5.443 5.074 1.00 0.00 C ATOM 1392 C GLY A 95 58.218 5.570 6.378 1.00 0.00 C ATOM 1393 O GLY A 95 57.017 5.377 6.408 1.00 0.00 O ATOM 0 H GLY A 95 60.306 4.200 6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 95 59.286 6.432 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 95 58.389 4.981 4.306 1.00 0.00 H new ATOM 1397 N SER A 96 58.878 5.894 7.458 1.00 0.00 N ATOM 1398 CA SER A 96 58.161 6.034 8.759 1.00 0.00 C ATOM 1399 C SER A 96 57.474 7.401 8.825 1.00 0.00 C ATOM 1400 O SER A 96 57.985 8.388 8.335 1.00 0.00 O ATOM 1401 CB SER A 96 59.161 5.913 9.910 1.00 0.00 C ATOM 1402 OG SER A 96 58.452 5.848 11.141 1.00 0.00 O ATOM 0 H SER A 96 59.882 6.068 7.496 1.00 0.00 H new ATOM 0 HA SER A 96 57.411 5.247 8.842 1.00 0.00 H new ATOM 0 HB2 SER A 96 59.774 5.021 9.782 1.00 0.00 H new ATOM 0 HB3 SER A 96 59.838 6.768 9.911 1.00 0.00 H new ATOM 0 HG SER A 96 58.641 6.651 11.670 1.00 0.00 H new ATOM 1408 N ARG A 97 56.317 7.463 9.427 1.00 0.00 N ATOM 1409 CA ARG A 97 55.588 8.762 9.528 1.00 0.00 C ATOM 1410 C ARG A 97 56.060 9.514 10.778 1.00 0.00 C ATOM 1411 O ARG A 97 55.872 10.707 10.906 1.00 0.00 O ATOM 1412 CB ARG A 97 54.086 8.480 9.641 1.00 0.00 C ATOM 1413 CG ARG A 97 53.300 9.793 9.606 1.00 0.00 C ATOM 1414 CD ARG A 97 51.805 9.492 9.720 1.00 0.00 C ATOM 1415 NE ARG A 97 51.367 8.688 8.544 1.00 0.00 N ATOM 1416 CZ ARG A 97 50.194 8.116 8.548 1.00 0.00 C ATOM 1417 NH1 ARG A 97 49.406 8.249 9.581 1.00 0.00 N ATOM 1418 NH2 ARG A 97 49.807 7.409 7.522 1.00 0.00 N ATOM 0 H ARG A 97 55.843 6.668 9.855 1.00 0.00 H new ATOM 0 HA ARG A 97 55.786 9.368 8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 97 53.767 7.834 8.823 1.00 0.00 H new ATOM 0 HB3 ARG A 97 53.877 7.947 10.568 1.00 0.00 H new ATOM 0 HG2 ARG A 97 53.615 10.441 10.424 1.00 0.00 H new ATOM 0 HG3 ARG A 97 53.505 10.328 8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 97 51.603 8.947 10.642 1.00 0.00 H new ATOM 0 HD3 ARG A 97 51.239 10.422 9.769 1.00 0.00 H new ATOM 0 HE ARG A 97 51.983 8.585 7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 97 49.707 8.800 10.385 1.00 0.00 H new ATOM 0 HH12 ARG A 97 48.489 7.802 9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 97 50.422 7.303 6.715 1.00 0.00 H new ATOM 0 HH22 ARG A 97 48.890 6.963 7.527 1.00 0.00 H new ATOM 1432 N SER A 98 56.677 8.823 11.699 1.00 0.00 N ATOM 1433 CA SER A 98 57.161 9.495 12.940 1.00 0.00 C ATOM 1434 C SER A 98 58.529 10.131 12.681 1.00 0.00 C ATOM 1435 O SER A 98 59.313 9.532 11.963 1.00 0.00 O ATOM 1436 CB SER A 98 57.284 8.464 14.061 1.00 0.00 C ATOM 1437 OG SER A 98 58.048 7.358 13.598 1.00 0.00 O ATOM 0 H SER A 98 56.867 7.822 11.646 1.00 0.00 H new ATOM 0 HA SER A 98 56.452 10.270 13.232 1.00 0.00 H new ATOM 0 HB2 SER A 98 57.762 8.912 14.932 1.00 0.00 H new ATOM 0 HB3 SER A 98 56.295 8.132 14.376 1.00 0.00 H new ATOM 0 HG SER A 98 58.131 6.695 14.315 1.00 0.00 H new TER 1443 SER A 98