USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=32 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 52 TYR OH : rot 180:sc= 0.325 USER MOD Set 1.2: A 74 GLN : amide:sc= -6.22! C(o=-6.2!,f=-11!) USER MOD Set 1.3: A 79 THR OG1 : rot -170:sc= -0.319 USER MOD Set 2.1: A 65 THR OG1 : rot 180:sc= -0.0387 USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 15 CYS SG : rot -37:sc= -2.29! USER MOD Set 3.2: A 32 CYS SG : rot -84:sc= -3.61! USER MOD Set 4.1: A 18 GLN : amide:sc= -0.0403 K(o=2.4,f=0.98!) USER MOD Set 4.2: A 23 TYR OH : rot 57:sc= 1.11 USER MOD Set 4.3: A 87 TYR OH : rot 152:sc= 1.29 USER MOD Set 5.1: A 17 LYS NZ :NH3+ -115:sc= -1.7 (180deg=-0.786) USER MOD Set 5.2: A 26 ASN : amide:sc= -0.884 X(o=-2.6,f=-2.8) 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= -3.19! K(o=-3.2!,f=-2.1) USER MOD Single : A 9 ASN : amide:sc= -0.0209 K(o=-0.021,f=-1.9!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.542 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -143:sc= 0 (180deg=-0.0248) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 37 ASN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= 0.919 (180deg=0.592) USER MOD Single : A 45 SER OG : rot 180:sc= -1.67 USER MOD Single : A 47 SER OG : rot 180:sc= -0.422 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -3.06! K(o=-3.1!,f=-1.4) 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= -2.76 K(o=-2.8,f=-8.9!) USER MOD Single : A 61 LYS NZ :NH3+ -135:sc= -2.28 (180deg=-4.91!) USER MOD Single : A 67 SER OG : rot -25:sc= 0.0638 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 72 THR OG1 : rot 9:sc= 0.21 USER MOD Single : A 73 ASN : amide:sc= -0.853 X(o=-0.85,f=-0.63) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -157:sc= -0.846! (180deg=-1.93!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.347 K(o=-0.35,f=-1.8!) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0161) USER MOD Single : A 91 THR OG1 : rot 44:sc= 0.0363 USER MOD Single : A 96 SER OG : rot 1:sc= 0.957 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 40.444 -3.445 -2.926 1.00 0.00 N ATOM 2 CA GLY A 1 41.244 -4.508 -3.681 1.00 0.00 C ATOM 3 C GLY A 1 42.082 -5.481 -2.922 1.00 0.00 C ATOM 4 O GLY A 1 42.530 -5.206 -1.828 1.00 0.00 O ATOM 0 H1 GLY A 1 39.921 -2.856 -3.605 1.00 0.00 H new ATOM 0 H2 GLY A 1 39.773 -3.909 -2.281 1.00 0.00 H new ATOM 0 H3 GLY A 1 41.094 -2.846 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A 1 40.537 -5.084 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 1 41.901 -3.987 -4.378 1.00 0.00 H new ATOM 10 N GLY A 2 42.316 -6.642 -3.477 1.00 0.00 N ATOM 11 CA GLY A 2 43.146 -7.656 -2.764 1.00 0.00 C ATOM 12 C GLY A 2 44.634 -7.374 -3.000 1.00 0.00 C ATOM 13 O GLY A 2 45.316 -6.833 -2.154 1.00 0.00 O ATOM 0 H GLY A 2 41.969 -6.931 -4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 2 42.927 -7.631 -1.696 1.00 0.00 H new ATOM 0 HA3 GLY A 2 42.896 -8.656 -3.118 1.00 0.00 H new ATOM 17 N SER A 3 45.142 -7.748 -4.143 1.00 0.00 N ATOM 18 CA SER A 3 46.588 -7.517 -4.436 1.00 0.00 C ATOM 19 C SER A 3 46.828 -6.042 -4.780 1.00 0.00 C ATOM 20 O SER A 3 45.933 -5.343 -5.212 1.00 0.00 O ATOM 21 CB SER A 3 47.007 -8.393 -5.617 1.00 0.00 C ATOM 22 OG SER A 3 46.893 -9.761 -5.249 1.00 0.00 O ATOM 0 H SER A 3 44.618 -8.205 -4.889 1.00 0.00 H new ATOM 0 HA SER A 3 47.179 -7.774 -3.557 1.00 0.00 H new ATOM 0 HB2 SER A 3 46.378 -8.183 -6.482 1.00 0.00 H new ATOM 0 HB3 SER A 3 48.033 -8.167 -5.907 1.00 0.00 H new ATOM 0 HG SER A 3 47.159 -10.326 -6.004 1.00 0.00 H new ATOM 28 N GLY A 4 48.035 -5.564 -4.593 1.00 0.00 N ATOM 29 CA GLY A 4 48.335 -4.134 -4.913 1.00 0.00 C ATOM 30 C GLY A 4 49.793 -3.816 -4.559 1.00 0.00 C ATOM 31 O GLY A 4 50.506 -4.642 -4.023 1.00 0.00 O ATOM 0 H GLY A 4 48.823 -6.102 -4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 4 48.159 -3.944 -5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 4 47.665 -3.479 -4.356 1.00 0.00 H new ATOM 35 N TRP A 5 50.246 -2.620 -4.853 1.00 0.00 N ATOM 36 CA TRP A 5 51.658 -2.256 -4.527 1.00 0.00 C ATOM 37 C TRP A 5 51.781 -1.953 -3.045 1.00 0.00 C ATOM 38 O TRP A 5 51.208 -1.008 -2.541 1.00 0.00 O ATOM 39 CB TRP A 5 52.088 -1.027 -5.336 1.00 0.00 C ATOM 40 CG TRP A 5 53.501 -0.664 -4.988 1.00 0.00 C ATOM 41 CD1 TRP A 5 54.603 -1.148 -5.606 1.00 0.00 C ATOM 42 CD2 TRP A 5 53.981 0.250 -3.956 1.00 0.00 C ATOM 43 NE1 TRP A 5 55.727 -0.594 -5.018 1.00 0.00 N ATOM 44 CE2 TRP A 5 55.396 0.276 -3.996 1.00 0.00 C ATOM 45 CE3 TRP A 5 53.333 1.051 -2.996 1.00 0.00 C ATOM 46 CZ2 TRP A 5 56.141 1.066 -3.117 1.00 0.00 C ATOM 47 CZ3 TRP A 5 54.078 1.848 -2.112 1.00 0.00 C ATOM 48 CH2 TRP A 5 55.479 1.856 -2.172 1.00 0.00 C ATOM 0 H TRP A 5 49.700 -1.885 -5.302 1.00 0.00 H new ATOM 0 HA TRP A 5 52.304 -3.096 -4.782 1.00 0.00 H new ATOM 0 HB2 TRP A 5 52.008 -1.235 -6.403 1.00 0.00 H new ATOM 0 HB3 TRP A 5 51.424 -0.189 -5.124 1.00 0.00 H new ATOM 0 HD1 TRP A 5 54.605 -1.852 -6.425 1.00 0.00 H new ATOM 0 HE1 TRP A 5 56.684 -0.802 -5.304 1.00 0.00 H new ATOM 0 HE3 TRP A 5 52.254 1.052 -2.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 57.220 1.067 -3.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 53.569 2.459 -1.381 1.00 0.00 H new ATOM 0 HH2 TRP A 5 56.046 2.471 -1.489 1.00 0.00 H new ATOM 59 N ASN A 6 52.539 -2.756 -2.346 1.00 0.00 N ATOM 60 CA ASN A 6 52.736 -2.542 -0.885 1.00 0.00 C ATOM 61 C ASN A 6 54.227 -2.598 -0.569 1.00 0.00 C ATOM 62 O ASN A 6 54.632 -2.799 0.559 1.00 0.00 O ATOM 63 CB ASN A 6 51.996 -3.633 -0.107 1.00 0.00 C ATOM 64 CG ASN A 6 51.984 -3.298 1.386 1.00 0.00 C ATOM 65 OD1 ASN A 6 51.612 -4.120 2.199 1.00 0.00 O ATOM 66 ND2 ASN A 6 52.376 -2.119 1.789 1.00 0.00 N ATOM 0 H ASN A 6 53.035 -3.560 -2.731 1.00 0.00 H new ATOM 0 HA ASN A 6 52.341 -1.568 -0.596 1.00 0.00 H new ATOM 0 HB2 ASN A 6 50.974 -3.724 -0.475 1.00 0.00 H new ATOM 0 HB3 ASN A 6 52.480 -4.597 -0.268 1.00 0.00 H new ATOM 0 HD21 ASN A 6 52.369 -1.892 2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 6 52.689 -1.426 1.109 1.00 0.00 H new ATOM 73 N ALA A 7 55.042 -2.424 -1.565 1.00 0.00 N ATOM 74 CA ALA A 7 56.516 -2.469 -1.351 1.00 0.00 C ATOM 75 C ALA A 7 56.892 -3.811 -0.714 1.00 0.00 C ATOM 76 O ALA A 7 57.989 -3.991 -0.224 1.00 0.00 O ATOM 77 CB ALA A 7 56.939 -1.323 -0.425 1.00 0.00 C ATOM 0 H ALA A 7 54.751 -2.251 -2.527 1.00 0.00 H new ATOM 0 HA ALA A 7 57.027 -2.362 -2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 7 58.017 -1.359 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA A 7 56.669 -0.370 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 7 56.432 -1.424 0.534 1.00 0.00 H new ATOM 83 N ASP A 8 55.984 -4.755 -0.715 1.00 0.00 N ATOM 84 CA ASP A 8 56.274 -6.092 -0.111 1.00 0.00 C ATOM 85 C ASP A 8 56.779 -7.054 -1.191 1.00 0.00 C ATOM 86 O ASP A 8 57.522 -7.977 -0.918 1.00 0.00 O ATOM 87 CB ASP A 8 54.991 -6.656 0.508 1.00 0.00 C ATOM 88 CG ASP A 8 54.620 -5.844 1.751 1.00 0.00 C ATOM 89 OD1 ASP A 8 55.495 -5.186 2.287 1.00 0.00 O ATOM 90 OD2 ASP A 8 53.467 -5.897 2.147 1.00 0.00 O ATOM 0 H ASP A 8 55.049 -4.656 -1.111 1.00 0.00 H new ATOM 0 HA ASP A 8 57.039 -5.981 0.657 1.00 0.00 H new ATOM 0 HB2 ASP A 8 54.179 -6.620 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 8 55.134 -7.703 0.775 1.00 0.00 H new ATOM 95 N ASN A 9 56.371 -6.853 -2.417 1.00 0.00 N ATOM 96 CA ASN A 9 56.818 -7.761 -3.514 1.00 0.00 C ATOM 97 C ASN A 9 58.101 -7.212 -4.136 1.00 0.00 C ATOM 98 O ASN A 9 58.647 -7.784 -5.059 1.00 0.00 O ATOM 99 CB ASN A 9 55.731 -7.819 -4.590 1.00 0.00 C ATOM 100 CG ASN A 9 54.518 -8.579 -4.050 1.00 0.00 C ATOM 101 OD1 ASN A 9 54.631 -9.331 -3.102 1.00 0.00 O ATOM 102 ND2 ASN A 9 53.351 -8.408 -4.610 1.00 0.00 N ATOM 0 H ASN A 9 55.748 -6.099 -2.706 1.00 0.00 H new ATOM 0 HA ASN A 9 57.000 -8.758 -3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 9 55.440 -6.810 -4.883 1.00 0.00 H new ATOM 0 HB3 ASN A 9 56.114 -8.312 -5.483 1.00 0.00 H new ATOM 0 HD21 ASN A 9 52.536 -8.905 -4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 9 53.255 -7.777 -5.406 1.00 0.00 H new ATOM 109 N VAL A 10 58.582 -6.099 -3.640 1.00 0.00 N ATOM 110 CA VAL A 10 59.827 -5.491 -4.204 1.00 0.00 C ATOM 111 C VAL A 10 60.975 -5.646 -3.209 1.00 0.00 C ATOM 112 O VAL A 10 60.870 -5.255 -2.063 1.00 0.00 O ATOM 113 CB VAL A 10 59.597 -3.994 -4.431 1.00 0.00 C ATOM 114 CG1 VAL A 10 60.723 -3.427 -5.295 1.00 0.00 C ATOM 115 CG2 VAL A 10 58.262 -3.771 -5.133 1.00 0.00 C ATOM 0 H VAL A 10 58.164 -5.583 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 10 60.073 -5.991 -5.141 1.00 0.00 H new ATOM 0 HB VAL A 10 59.585 -3.488 -3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 10 60.557 -2.362 -5.455 1.00 0.00 H new ATOM 0 HG12 VAL A 10 61.678 -3.574 -4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 10 60.738 -3.941 -6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 10 58.107 -2.704 -5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 10 58.267 -4.282 -6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 10 57.456 -4.167 -4.516 1.00 0.00 H new ATOM 125 N ASP A 11 62.084 -6.176 -3.641 1.00 0.00 N ATOM 126 CA ASP A 11 63.246 -6.309 -2.719 1.00 0.00 C ATOM 127 C ASP A 11 64.035 -4.990 -2.791 1.00 0.00 C ATOM 128 O ASP A 11 64.296 -4.498 -3.872 1.00 0.00 O ATOM 129 CB ASP A 11 64.139 -7.466 -3.174 1.00 0.00 C ATOM 130 CG ASP A 11 63.368 -8.783 -3.066 1.00 0.00 C ATOM 131 OD1 ASP A 11 62.937 -9.108 -1.972 1.00 0.00 O ATOM 132 OD2 ASP A 11 63.222 -9.446 -4.080 1.00 0.00 O ATOM 0 H ASP A 11 62.236 -6.522 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 11 62.912 -6.511 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 11 64.463 -7.306 -4.202 1.00 0.00 H new ATOM 0 HB3 ASP A 11 65.038 -7.508 -2.559 1.00 0.00 H new ATOM 137 N PRO A 12 64.403 -4.398 -1.677 1.00 0.00 N ATOM 138 CA PRO A 12 65.150 -3.106 -1.687 1.00 0.00 C ATOM 139 C PRO A 12 66.606 -3.283 -2.137 1.00 0.00 C ATOM 140 O PRO A 12 67.287 -2.329 -2.457 1.00 0.00 O ATOM 141 CB PRO A 12 65.072 -2.637 -0.228 1.00 0.00 C ATOM 142 CG PRO A 12 64.967 -3.897 0.565 1.00 0.00 C ATOM 143 CD PRO A 12 64.166 -4.875 -0.301 1.00 0.00 C ATOM 0 HA PRO A 12 64.728 -2.389 -2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 12 65.956 -2.064 0.052 1.00 0.00 H new ATOM 0 HB3 PRO A 12 64.209 -1.992 -0.064 1.00 0.00 H new ATOM 0 HG2 PRO A 12 65.955 -4.297 0.794 1.00 0.00 H new ATOM 0 HG3 PRO A 12 64.467 -3.719 1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 12 64.509 -5.901 -0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 12 63.106 -4.858 -0.048 1.00 0.00 H new ATOM 151 N SER A 13 67.088 -4.497 -2.165 1.00 0.00 N ATOM 152 CA SER A 13 68.497 -4.734 -2.592 1.00 0.00 C ATOM 153 C SER A 13 68.701 -4.271 -4.041 1.00 0.00 C ATOM 154 O SER A 13 69.720 -3.704 -4.382 1.00 0.00 O ATOM 155 CB SER A 13 68.819 -6.228 -2.485 1.00 0.00 C ATOM 156 OG SER A 13 70.193 -6.436 -2.784 1.00 0.00 O ATOM 0 H SER A 13 66.566 -5.335 -1.910 1.00 0.00 H new ATOM 0 HA SER A 13 69.162 -4.165 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 13 68.595 -6.589 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 13 68.195 -6.796 -3.175 1.00 0.00 H new ATOM 0 HG SER A 13 70.402 -7.391 -2.715 1.00 0.00 H new ATOM 162 N GLN A 14 67.746 -4.518 -4.901 1.00 0.00 N ATOM 163 CA GLN A 14 67.901 -4.106 -6.329 1.00 0.00 C ATOM 164 C GLN A 14 67.555 -2.621 -6.495 1.00 0.00 C ATOM 165 O GLN A 14 67.821 -2.028 -7.522 1.00 0.00 O ATOM 166 CB GLN A 14 66.964 -4.950 -7.196 1.00 0.00 C ATOM 167 CG GLN A 14 67.403 -6.416 -7.138 1.00 0.00 C ATOM 168 CD GLN A 14 66.462 -7.263 -7.998 1.00 0.00 C ATOM 169 OE1 GLN A 14 66.503 -7.194 -9.209 1.00 0.00 O ATOM 170 NE2 GLN A 14 65.608 -8.061 -7.417 1.00 0.00 N ATOM 0 H GLN A 14 66.868 -4.986 -4.677 1.00 0.00 H new ATOM 0 HA GLN A 14 68.935 -4.261 -6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 14 65.937 -4.852 -6.844 1.00 0.00 H new ATOM 0 HB3 GLN A 14 66.983 -4.593 -8.226 1.00 0.00 H new ATOM 0 HG2 GLN A 14 68.428 -6.515 -7.496 1.00 0.00 H new ATOM 0 HG3 GLN A 14 67.390 -6.771 -6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 14 65.574 -8.118 -6.399 1.00 0.00 H new ATOM 0 HE22 GLN A 14 64.974 -8.627 -7.981 1.00 0.00 H new ATOM 179 N CYS A 15 66.982 -2.008 -5.495 1.00 0.00 N ATOM 180 CA CYS A 15 66.645 -0.559 -5.613 1.00 0.00 C ATOM 181 C CYS A 15 67.942 0.255 -5.607 1.00 0.00 C ATOM 182 O CYS A 15 68.027 1.309 -6.206 1.00 0.00 O ATOM 183 CB CYS A 15 65.757 -0.135 -4.440 1.00 0.00 C ATOM 184 SG CYS A 15 64.062 -0.695 -4.739 1.00 0.00 S ATOM 0 H CYS A 15 66.734 -2.444 -4.607 1.00 0.00 H new ATOM 0 HA CYS A 15 66.105 -0.381 -6.543 1.00 0.00 H new ATOM 0 HB2 CYS A 15 66.134 -0.562 -3.511 1.00 0.00 H new ATOM 0 HB3 CYS A 15 65.779 0.949 -4.325 1.00 0.00 H new ATOM 0 HG CYS A 15 63.783 -0.579 -6.004 1.00 0.00 H new ATOM 189 N ILE A 16 68.956 -0.239 -4.937 1.00 0.00 N ATOM 190 CA ILE A 16 70.271 0.478 -4.879 1.00 0.00 C ATOM 191 C ILE A 16 71.359 -0.448 -5.422 1.00 0.00 C ATOM 192 O ILE A 16 71.352 -1.637 -5.170 1.00 0.00 O ATOM 193 CB ILE A 16 70.594 0.849 -3.419 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.514 -0.412 -2.504 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.593 1.907 -2.937 1.00 0.00 C ATOM 196 CD1 ILE A 16 71.919 -0.962 -2.222 1.00 0.00 C ATOM 0 H ILE A 16 68.928 -1.119 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 16 70.223 1.388 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 16 71.607 1.248 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 16 70.022 -0.157 -1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 16 69.906 -1.179 -2.984 1.00 0.00 H new ATOM 0 HG21 ILE A 16 69.816 2.175 -1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.670 2.794 -3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.582 1.505 -2.998 1.00 0.00 H new ATOM 0 HD11 ILE A 16 71.844 -1.841 -1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.398 -1.237 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.515 -0.199 -1.721 1.00 0.00 H new ATOM 208 N LYS A 17 72.290 0.088 -6.173 1.00 0.00 N ATOM 209 CA LYS A 17 73.391 -0.749 -6.752 1.00 0.00 C ATOM 210 C LYS A 17 74.741 -0.175 -6.328 1.00 0.00 C ATOM 211 O LYS A 17 74.914 1.024 -6.244 1.00 0.00 O ATOM 212 CB LYS A 17 73.296 -0.719 -8.276 1.00 0.00 C ATOM 213 CG LYS A 17 72.044 -1.476 -8.717 1.00 0.00 C ATOM 214 CD LYS A 17 71.945 -1.448 -10.242 1.00 0.00 C ATOM 215 CE LYS A 17 70.689 -2.196 -10.687 1.00 0.00 C ATOM 216 NZ LYS A 17 69.492 -1.588 -10.040 1.00 0.00 N ATOM 0 H LYS A 17 72.336 1.078 -6.413 1.00 0.00 H new ATOM 0 HA LYS A 17 73.297 -1.774 -6.393 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.256 0.311 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 17 74.184 -1.173 -8.717 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.085 -2.506 -8.363 1.00 0.00 H new ATOM 0 HG3 LYS A 17 71.157 -1.022 -8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 17 71.911 -0.418 -10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.830 -1.908 -10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 17 70.591 -2.151 -11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 17 70.766 -3.249 -10.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 69.058 -2.278 -9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 69.778 -0.744 -9.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 68.803 -1.317 -10.770 1.00 0.00 H new ATOM 230 N GLN A 18 75.706 -1.016 -6.065 1.00 0.00 N ATOM 231 CA GLN A 18 77.044 -0.499 -5.652 1.00 0.00 C ATOM 232 C GLN A 18 77.890 -0.224 -6.896 1.00 0.00 C ATOM 233 O GLN A 18 78.005 -1.053 -7.777 1.00 0.00 O ATOM 234 CB GLN A 18 77.751 -1.528 -4.759 1.00 0.00 C ATOM 235 CG GLN A 18 78.047 -2.807 -5.545 1.00 0.00 C ATOM 236 CD GLN A 18 78.519 -3.894 -4.575 1.00 0.00 C ATOM 237 OE1 GLN A 18 78.071 -3.955 -3.448 1.00 0.00 O ATOM 238 NE2 GLN A 18 79.412 -4.762 -4.969 1.00 0.00 N ATOM 0 H GLN A 18 75.627 -2.032 -6.118 1.00 0.00 H new ATOM 0 HA GLN A 18 76.914 0.426 -5.090 1.00 0.00 H new ATOM 0 HB2 GLN A 18 78.680 -1.107 -4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 18 77.126 -1.760 -3.897 1.00 0.00 H new ATOM 0 HG2 GLN A 18 77.154 -3.138 -6.075 1.00 0.00 H new ATOM 0 HG3 GLN A 18 78.812 -2.617 -6.298 1.00 0.00 H new ATOM 0 HE21 GLN A 18 79.789 -4.712 -5.915 1.00 0.00 H new ATOM 0 HE22 GLN A 18 79.732 -5.490 -4.330 1.00 0.00 H new ATOM 247 N SER A 19 78.485 0.941 -6.972 1.00 0.00 N ATOM 248 CA SER A 19 79.339 1.296 -8.150 1.00 0.00 C ATOM 249 C SER A 19 80.760 1.558 -7.659 1.00 0.00 C ATOM 250 O SER A 19 80.976 2.329 -6.744 1.00 0.00 O ATOM 251 CB SER A 19 78.792 2.561 -8.807 1.00 0.00 C ATOM 252 OG SER A 19 77.555 2.262 -9.440 1.00 0.00 O ATOM 0 H SER A 19 78.415 1.669 -6.261 1.00 0.00 H new ATOM 0 HA SER A 19 79.336 0.481 -8.874 1.00 0.00 H new ATOM 0 HB2 SER A 19 78.652 3.342 -8.060 1.00 0.00 H new ATOM 0 HB3 SER A 19 79.505 2.943 -9.538 1.00 0.00 H new ATOM 0 HG SER A 19 77.199 3.072 -9.862 1.00 0.00 H new ATOM 258 N GLY A 20 81.732 0.926 -8.254 1.00 0.00 N ATOM 259 CA GLY A 20 83.139 1.143 -7.810 1.00 0.00 C ATOM 260 C GLY A 20 83.210 1.068 -6.280 1.00 0.00 C ATOM 261 O GLY A 20 83.105 0.007 -5.697 1.00 0.00 O ATOM 0 H GLY A 20 81.615 0.270 -9.026 1.00 0.00 H new ATOM 0 HA2 GLY A 20 83.791 0.390 -8.252 1.00 0.00 H new ATOM 0 HA3 GLY A 20 83.494 2.114 -8.154 1.00 0.00 H new ATOM 265 N VAL A 21 83.387 2.196 -5.632 1.00 0.00 N ATOM 266 CA VAL A 21 83.470 2.227 -4.134 1.00 0.00 C ATOM 267 C VAL A 21 82.380 3.144 -3.568 1.00 0.00 C ATOM 268 O VAL A 21 82.473 3.607 -2.448 1.00 0.00 O ATOM 269 CB VAL A 21 84.841 2.765 -3.726 1.00 0.00 C ATOM 270 CG1 VAL A 21 85.919 1.775 -4.160 1.00 0.00 C ATOM 271 CG2 VAL A 21 85.085 4.113 -4.410 1.00 0.00 C ATOM 0 H VAL A 21 83.479 3.107 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 21 83.328 1.220 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 21 84.875 2.895 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 21 86.899 2.155 -3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 21 85.745 0.813 -3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 21 85.883 1.649 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 21 86.063 4.497 -4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 21 85.053 3.983 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 21 84.313 4.820 -4.107 1.00 0.00 H new ATOM 281 N GLN A 22 81.352 3.415 -4.336 1.00 0.00 N ATOM 282 CA GLN A 22 80.248 4.314 -3.855 1.00 0.00 C ATOM 283 C GLN A 22 78.886 3.659 -4.100 1.00 0.00 C ATOM 284 O GLN A 22 78.763 2.707 -4.845 1.00 0.00 O ATOM 285 CB GLN A 22 80.321 5.659 -4.586 1.00 0.00 C ATOM 286 CG GLN A 22 80.078 5.458 -6.081 1.00 0.00 C ATOM 287 CD GLN A 22 80.406 6.756 -6.824 1.00 0.00 C ATOM 288 OE1 GLN A 22 79.806 7.782 -6.572 1.00 0.00 O ATOM 289 NE2 GLN A 22 81.345 6.755 -7.730 1.00 0.00 N ATOM 0 H GLN A 22 81.227 3.051 -5.281 1.00 0.00 H new ATOM 0 HA GLN A 22 80.368 4.480 -2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 22 79.578 6.344 -4.178 1.00 0.00 H new ATOM 0 HB3 GLN A 22 81.298 6.116 -4.427 1.00 0.00 H new ATOM 0 HG2 GLN A 22 80.698 4.644 -6.456 1.00 0.00 H new ATOM 0 HG3 GLN A 22 79.040 5.176 -6.258 1.00 0.00 H new ATOM 0 HE21 GLN A 22 81.849 5.894 -7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 22 81.575 7.616 -8.227 1.00 0.00 H new ATOM 298 N TYR A 23 77.862 4.177 -3.468 1.00 0.00 N ATOM 299 CA TYR A 23 76.479 3.627 -3.627 1.00 0.00 C ATOM 300 C TYR A 23 75.583 4.705 -4.239 1.00 0.00 C ATOM 301 O TYR A 23 75.676 5.867 -3.897 1.00 0.00 O ATOM 302 CB TYR A 23 75.913 3.248 -2.244 1.00 0.00 C ATOM 303 CG TYR A 23 76.328 1.846 -1.859 1.00 0.00 C ATOM 304 CD1 TYR A 23 75.599 0.757 -2.342 1.00 0.00 C ATOM 305 CD2 TYR A 23 77.417 1.638 -1.004 1.00 0.00 C ATOM 306 CE1 TYR A 23 75.955 -0.544 -1.974 1.00 0.00 C ATOM 307 CE2 TYR A 23 77.777 0.334 -0.639 1.00 0.00 C ATOM 308 CZ TYR A 23 77.044 -0.756 -1.123 1.00 0.00 C ATOM 309 OH TYR A 23 77.394 -2.041 -0.760 1.00 0.00 O ATOM 0 H TYR A 23 77.928 4.974 -2.835 1.00 0.00 H new ATOM 0 HA TYR A 23 76.510 2.747 -4.269 1.00 0.00 H new ATOM 0 HB2 TYR A 23 76.268 3.956 -1.495 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.825 3.319 -2.260 1.00 0.00 H new ATOM 0 HD1 TYR A 23 74.759 0.920 -3.001 1.00 0.00 H new ATOM 0 HD2 TYR A 23 77.978 2.480 -0.627 1.00 0.00 H new ATOM 0 HE1 TYR A 23 75.389 -1.385 -2.347 1.00 0.00 H new ATOM 0 HE2 TYR A 23 78.620 0.170 0.016 1.00 0.00 H new ATOM 0 HH TYR A 23 77.567 -2.573 -1.565 1.00 0.00 H new ATOM 319 N THR A 24 74.706 4.328 -5.131 1.00 0.00 N ATOM 320 CA THR A 24 73.784 5.326 -5.752 1.00 0.00 C ATOM 321 C THR A 24 72.394 4.703 -5.890 1.00 0.00 C ATOM 322 O THR A 24 72.246 3.504 -6.022 1.00 0.00 O ATOM 323 CB THR A 24 74.318 5.736 -7.126 1.00 0.00 C ATOM 324 OG1 THR A 24 74.398 4.591 -7.964 1.00 0.00 O ATOM 325 CG2 THR A 24 75.709 6.354 -6.962 1.00 0.00 C ATOM 0 H THR A 24 74.587 3.369 -5.458 1.00 0.00 H new ATOM 0 HA THR A 24 73.721 6.214 -5.123 1.00 0.00 H new ATOM 0 HB THR A 24 73.647 6.466 -7.579 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.738 4.853 -8.845 1.00 0.00 H new ATOM 0 HG21 THR A 24 76.094 6.648 -7.938 1.00 0.00 H new ATOM 0 HG22 THR A 24 75.644 7.231 -6.319 1.00 0.00 H new ATOM 0 HG23 THR A 24 76.381 5.623 -6.512 1.00 0.00 H new ATOM 333 N TYR A 25 71.373 5.512 -5.846 1.00 0.00 N ATOM 334 CA TYR A 25 69.986 4.981 -5.960 1.00 0.00 C ATOM 335 C TYR A 25 69.675 4.683 -7.431 1.00 0.00 C ATOM 336 O TYR A 25 69.858 5.518 -8.295 1.00 0.00 O ATOM 337 CB TYR A 25 69.010 6.038 -5.432 1.00 0.00 C ATOM 338 CG TYR A 25 67.691 5.397 -5.072 1.00 0.00 C ATOM 339 CD1 TYR A 25 66.807 5.004 -6.082 1.00 0.00 C ATOM 340 CD2 TYR A 25 67.351 5.210 -3.728 1.00 0.00 C ATOM 341 CE1 TYR A 25 65.581 4.422 -5.748 1.00 0.00 C ATOM 342 CE2 TYR A 25 66.125 4.626 -3.393 1.00 0.00 C ATOM 343 CZ TYR A 25 65.239 4.232 -4.402 1.00 0.00 C ATOM 344 OH TYR A 25 64.029 3.661 -4.069 1.00 0.00 O ATOM 0 H TYR A 25 71.440 6.524 -5.735 1.00 0.00 H new ATOM 0 HA TYR A 25 69.888 4.064 -5.380 1.00 0.00 H new ATOM 0 HB2 TYR A 25 69.434 6.530 -4.557 1.00 0.00 H new ATOM 0 HB3 TYR A 25 68.854 6.809 -6.187 1.00 0.00 H new ATOM 0 HD1 TYR A 25 67.071 5.150 -7.119 1.00 0.00 H new ATOM 0 HD2 TYR A 25 68.034 5.516 -2.950 1.00 0.00 H new ATOM 0 HE1 TYR A 25 64.897 4.119 -6.527 1.00 0.00 H new ATOM 0 HE2 TYR A 25 65.862 4.479 -2.356 1.00 0.00 H new ATOM 0 HH TYR A 25 63.953 3.602 -3.094 1.00 0.00 H new ATOM 354 N ASN A 26 69.201 3.499 -7.719 1.00 0.00 N ATOM 355 CA ASN A 26 68.868 3.142 -9.128 1.00 0.00 C ATOM 356 C ASN A 26 67.448 3.609 -9.444 1.00 0.00 C ATOM 357 O ASN A 26 66.504 2.848 -9.370 1.00 0.00 O ATOM 358 CB ASN A 26 68.953 1.622 -9.299 1.00 0.00 C ATOM 359 CG ASN A 26 68.860 1.263 -10.783 1.00 0.00 C ATOM 360 OD1 ASN A 26 67.783 1.047 -11.303 1.00 0.00 O ATOM 361 ND2 ASN A 26 69.954 1.185 -11.491 1.00 0.00 N ATOM 0 H ASN A 26 69.030 2.762 -7.035 1.00 0.00 H new ATOM 0 HA ASN A 26 69.572 3.626 -9.806 1.00 0.00 H new ATOM 0 HB2 ASN A 26 69.890 1.252 -8.884 1.00 0.00 H new ATOM 0 HB3 ASN A 26 68.147 1.139 -8.747 1.00 0.00 H new ATOM 0 HD21 ASN A 26 69.905 0.943 -12.481 1.00 0.00 H new ATOM 0 HD22 ASN A 26 70.858 1.366 -11.055 1.00 0.00 H new ATOM 368 N SER A 27 67.286 4.852 -9.793 1.00 0.00 N ATOM 369 CA SER A 27 65.924 5.364 -10.111 1.00 0.00 C ATOM 370 C SER A 27 65.540 4.933 -11.526 1.00 0.00 C ATOM 371 O SER A 27 64.435 5.163 -11.978 1.00 0.00 O ATOM 372 CB SER A 27 65.913 6.887 -10.016 1.00 0.00 C ATOM 373 OG SER A 27 66.779 7.426 -11.007 1.00 0.00 O ATOM 0 H SER A 27 68.037 5.537 -9.872 1.00 0.00 H new ATOM 0 HA SER A 27 65.206 4.957 -9.399 1.00 0.00 H new ATOM 0 HB2 SER A 27 64.900 7.264 -10.157 1.00 0.00 H new ATOM 0 HB3 SER A 27 66.235 7.203 -9.024 1.00 0.00 H new ATOM 0 HG SER A 27 66.773 8.404 -10.950 1.00 0.00 H new ATOM 379 N GLY A 28 66.447 4.315 -12.232 1.00 0.00 N ATOM 380 CA GLY A 28 66.137 3.876 -13.621 1.00 0.00 C ATOM 381 C GLY A 28 64.831 3.079 -13.629 1.00 0.00 C ATOM 382 O GLY A 28 64.266 2.812 -14.672 1.00 0.00 O ATOM 0 H GLY A 28 67.389 4.095 -11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 28 66.050 4.743 -14.276 1.00 0.00 H new ATOM 0 HA3 GLY A 28 66.951 3.264 -14.010 1.00 0.00 H new ATOM 386 N VAL A 29 64.341 2.709 -12.469 1.00 0.00 N ATOM 387 CA VAL A 29 63.058 1.938 -12.391 1.00 0.00 C ATOM 388 C VAL A 29 61.970 2.849 -11.819 1.00 0.00 C ATOM 389 O VAL A 29 62.134 3.457 -10.781 1.00 0.00 O ATOM 390 CB VAL A 29 63.241 0.720 -11.476 1.00 0.00 C ATOM 391 CG1 VAL A 29 64.361 -0.168 -12.020 1.00 0.00 C ATOM 392 CG2 VAL A 29 63.600 1.186 -10.062 1.00 0.00 C ATOM 0 H VAL A 29 64.777 2.909 -11.569 1.00 0.00 H new ATOM 0 HA VAL A 29 62.772 1.596 -13.386 1.00 0.00 H new ATOM 0 HB VAL A 29 62.311 0.152 -11.444 1.00 0.00 H new ATOM 0 HG11 VAL A 29 64.489 -1.032 -11.368 1.00 0.00 H new ATOM 0 HG12 VAL A 29 64.103 -0.505 -13.024 1.00 0.00 H new ATOM 0 HG13 VAL A 29 65.291 0.400 -12.056 1.00 0.00 H new ATOM 0 HG21 VAL A 29 63.729 0.318 -9.415 1.00 0.00 H new ATOM 0 HG22 VAL A 29 64.527 1.758 -10.092 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.799 1.814 -9.672 1.00 0.00 H new ATOM 402 N SER A 30 60.865 2.953 -12.499 1.00 0.00 N ATOM 403 CA SER A 30 59.762 3.830 -12.015 1.00 0.00 C ATOM 404 C SER A 30 59.113 3.232 -10.762 1.00 0.00 C ATOM 405 O SER A 30 58.550 3.937 -9.949 1.00 0.00 O ATOM 406 CB SER A 30 58.709 3.966 -13.117 1.00 0.00 C ATOM 407 OG SER A 30 59.304 4.570 -14.259 1.00 0.00 O ATOM 0 H SER A 30 60.676 2.466 -13.375 1.00 0.00 H new ATOM 0 HA SER A 30 60.171 4.809 -11.765 1.00 0.00 H new ATOM 0 HB2 SER A 30 58.308 2.986 -13.376 1.00 0.00 H new ATOM 0 HB3 SER A 30 57.873 4.570 -12.765 1.00 0.00 H new ATOM 0 HG SER A 30 58.634 4.658 -14.969 1.00 0.00 H new ATOM 413 N VAL A 31 59.157 1.936 -10.613 1.00 0.00 N ATOM 414 CA VAL A 31 58.503 1.303 -9.429 1.00 0.00 C ATOM 415 C VAL A 31 59.108 1.822 -8.117 1.00 0.00 C ATOM 416 O VAL A 31 58.399 2.055 -7.159 1.00 0.00 O ATOM 417 CB VAL A 31 58.661 -0.222 -9.511 1.00 0.00 C ATOM 418 CG1 VAL A 31 58.305 -0.694 -10.924 1.00 0.00 C ATOM 419 CG2 VAL A 31 60.106 -0.622 -9.188 1.00 0.00 C ATOM 0 H VAL A 31 59.615 1.290 -11.256 1.00 0.00 H new ATOM 0 HA VAL A 31 57.445 1.565 -9.439 1.00 0.00 H new ATOM 0 HB VAL A 31 57.993 -0.689 -8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 31 58.416 -1.777 -10.985 1.00 0.00 H new ATOM 0 HG12 VAL A 31 57.274 -0.422 -11.149 1.00 0.00 H new ATOM 0 HG13 VAL A 31 58.971 -0.220 -11.645 1.00 0.00 H new ATOM 0 HG21 VAL A 31 60.206 -1.706 -9.249 1.00 0.00 H new ATOM 0 HG22 VAL A 31 60.782 -0.154 -9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 31 60.359 -0.291 -8.181 1.00 0.00 H new ATOM 429 N CYS A 32 60.399 2.001 -8.046 1.00 0.00 N ATOM 430 CA CYS A 32 60.994 2.497 -6.768 1.00 0.00 C ATOM 431 C CYS A 32 60.529 3.931 -6.493 1.00 0.00 C ATOM 432 O CYS A 32 60.226 4.296 -5.369 1.00 0.00 O ATOM 433 CB CYS A 32 62.517 2.477 -6.871 1.00 0.00 C ATOM 434 SG CYS A 32 63.103 0.764 -6.909 1.00 0.00 S ATOM 0 H CYS A 32 61.060 1.829 -8.803 1.00 0.00 H new ATOM 0 HA CYS A 32 60.670 1.849 -5.953 1.00 0.00 H new ATOM 0 HB2 CYS A 32 62.837 3.001 -7.771 1.00 0.00 H new ATOM 0 HB3 CYS A 32 62.956 3.003 -6.023 1.00 0.00 H new ATOM 0 HG CYS A 32 63.216 0.317 -5.694 1.00 0.00 H new ATOM 439 N MET A 33 60.462 4.752 -7.507 1.00 0.00 N ATOM 440 CA MET A 33 60.013 6.156 -7.288 1.00 0.00 C ATOM 441 C MET A 33 58.487 6.202 -7.223 1.00 0.00 C ATOM 442 O MET A 33 57.903 7.204 -6.861 1.00 0.00 O ATOM 443 CB MET A 33 60.502 7.039 -8.435 1.00 0.00 C ATOM 444 CG MET A 33 62.017 7.246 -8.320 1.00 0.00 C ATOM 445 SD MET A 33 62.546 8.504 -9.508 1.00 0.00 S ATOM 446 CE MET A 33 62.196 9.953 -8.479 1.00 0.00 C ATOM 0 H MET A 33 60.697 4.513 -8.470 1.00 0.00 H new ATOM 0 HA MET A 33 60.427 6.523 -6.349 1.00 0.00 H new ATOM 0 HB2 MET A 33 60.260 6.576 -9.392 1.00 0.00 H new ATOM 0 HB3 MET A 33 59.991 8.001 -8.409 1.00 0.00 H new ATOM 0 HG2 MET A 33 62.277 7.555 -7.307 1.00 0.00 H new ATOM 0 HG3 MET A 33 62.538 6.308 -8.511 1.00 0.00 H new ATOM 0 HE1 MET A 33 61.814 10.760 -9.105 1.00 0.00 H new ATOM 0 HE2 MET A 33 61.451 9.694 -7.727 1.00 0.00 H new ATOM 0 HE3 MET A 33 63.112 10.279 -7.986 1.00 0.00 H new ATOM 456 N GLN A 34 57.836 5.122 -7.558 1.00 0.00 N ATOM 457 CA GLN A 34 56.350 5.103 -7.498 1.00 0.00 C ATOM 458 C GLN A 34 55.930 5.353 -6.050 1.00 0.00 C ATOM 459 O GLN A 34 54.988 6.071 -5.773 1.00 0.00 O ATOM 460 CB GLN A 34 55.848 3.735 -7.967 1.00 0.00 C ATOM 461 CG GLN A 34 54.319 3.690 -7.928 1.00 0.00 C ATOM 462 CD GLN A 34 53.847 2.361 -8.522 1.00 0.00 C ATOM 463 OE1 GLN A 34 54.632 1.630 -9.093 1.00 0.00 O ATOM 464 NE2 GLN A 34 52.596 2.010 -8.411 1.00 0.00 N ATOM 0 H GLN A 34 58.270 4.253 -7.870 1.00 0.00 H new ATOM 0 HA GLN A 34 55.925 5.872 -8.142 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.199 3.539 -8.980 1.00 0.00 H new ATOM 0 HB3 GLN A 34 56.258 2.951 -7.330 1.00 0.00 H new ATOM 0 HG2 GLN A 34 53.965 3.791 -6.902 1.00 0.00 H new ATOM 0 HG3 GLN A 34 53.903 4.524 -8.493 1.00 0.00 H new ATOM 0 HE21 GLN A 34 51.935 2.622 -7.932 1.00 0.00 H new ATOM 0 HE22 GLN A 34 52.278 1.124 -8.803 1.00 0.00 H new ATOM 473 N GLY A 35 56.636 4.764 -5.124 1.00 0.00 N ATOM 474 CA GLY A 35 56.305 4.957 -3.685 1.00 0.00 C ATOM 475 C GLY A 35 56.882 6.291 -3.201 1.00 0.00 C ATOM 476 O GLY A 35 56.191 7.093 -2.606 1.00 0.00 O ATOM 0 H GLY A 35 57.433 4.154 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.224 4.944 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 35 56.713 4.137 -3.094 1.00 0.00 H new ATOM 480 N LEU A 36 58.148 6.532 -3.437 1.00 0.00 N ATOM 481 CA LEU A 36 58.754 7.816 -2.963 1.00 0.00 C ATOM 482 C LEU A 36 58.024 9.002 -3.607 1.00 0.00 C ATOM 483 O LEU A 36 57.743 9.991 -2.958 1.00 0.00 O ATOM 484 CB LEU A 36 60.246 7.854 -3.338 1.00 0.00 C ATOM 485 CG LEU A 36 60.903 9.179 -2.844 1.00 0.00 C ATOM 486 CD1 LEU A 36 62.286 8.891 -2.247 1.00 0.00 C ATOM 487 CD2 LEU A 36 61.075 10.170 -4.009 1.00 0.00 C ATOM 0 H LEU A 36 58.782 5.904 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 36 58.656 7.882 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 36 60.759 7.000 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.357 7.768 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 36 60.249 9.614 -2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.736 9.823 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 36 62.183 8.207 -1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 36 62.923 8.438 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 36 61.535 11.087 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 36 61.712 9.726 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 36 60.100 10.400 -4.438 1.00 0.00 H new ATOM 499 N ASN A 37 57.705 8.913 -4.870 1.00 0.00 N ATOM 500 CA ASN A 37 56.983 10.035 -5.541 1.00 0.00 C ATOM 501 C ASN A 37 55.642 10.276 -4.845 1.00 0.00 C ATOM 502 O ASN A 37 55.214 11.399 -4.666 1.00 0.00 O ATOM 503 CB ASN A 37 56.737 9.690 -7.008 1.00 0.00 C ATOM 504 CG ASN A 37 55.997 10.850 -7.674 1.00 0.00 C ATOM 505 OD1 ASN A 37 54.994 10.652 -8.330 1.00 0.00 O ATOM 506 ND2 ASN A 37 56.454 12.065 -7.529 1.00 0.00 N ATOM 0 H ASN A 37 57.913 8.112 -5.467 1.00 0.00 H new ATOM 0 HA ASN A 37 57.592 10.937 -5.479 1.00 0.00 H new ATOM 0 HB2 ASN A 37 57.684 9.506 -7.516 1.00 0.00 H new ATOM 0 HB3 ASN A 37 56.151 8.775 -7.086 1.00 0.00 H new ATOM 0 HD21 ASN A 37 55.969 12.848 -7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 37 57.296 12.231 -6.978 1.00 0.00 H new ATOM 513 N GLU A 38 54.968 9.226 -4.470 1.00 0.00 N ATOM 514 CA GLU A 38 53.648 9.386 -3.802 1.00 0.00 C ATOM 515 C GLU A 38 53.861 9.752 -2.332 1.00 0.00 C ATOM 516 O GLU A 38 52.927 10.057 -1.617 1.00 0.00 O ATOM 517 CB GLU A 38 52.867 8.073 -3.911 1.00 0.00 C ATOM 518 CG GLU A 38 52.449 7.858 -5.369 1.00 0.00 C ATOM 519 CD GLU A 38 51.673 6.545 -5.496 1.00 0.00 C ATOM 520 OE1 GLU A 38 51.391 5.946 -4.471 1.00 0.00 O ATOM 521 OE2 GLU A 38 51.374 6.163 -6.616 1.00 0.00 O ATOM 0 H GLU A 38 55.275 8.262 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 38 53.082 10.182 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 38 53.482 7.240 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 38 51.987 8.104 -3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 38 51.832 8.690 -5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 38 53.330 7.834 -6.010 1.00 0.00 H new ATOM 528 N GLY A 39 55.086 9.745 -1.877 1.00 0.00 N ATOM 529 CA GLY A 39 55.355 10.116 -0.458 1.00 0.00 C ATOM 530 C GLY A 39 55.048 8.939 0.467 1.00 0.00 C ATOM 531 O GLY A 39 54.708 9.125 1.618 1.00 0.00 O ATOM 0 H GLY A 39 55.910 9.499 -2.426 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.397 10.414 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.746 10.975 -0.178 1.00 0.00 H new ATOM 535 N LYS A 40 55.188 7.727 -0.013 1.00 0.00 N ATOM 536 CA LYS A 40 54.929 6.535 0.853 1.00 0.00 C ATOM 537 C LYS A 40 56.281 5.961 1.231 1.00 0.00 C ATOM 538 O LYS A 40 56.405 5.094 2.075 1.00 0.00 O ATOM 539 CB LYS A 40 54.118 5.497 0.072 1.00 0.00 C ATOM 540 CG LYS A 40 52.756 6.096 -0.288 1.00 0.00 C ATOM 541 CD LYS A 40 51.925 5.075 -1.067 1.00 0.00 C ATOM 542 CE LYS A 40 50.571 5.690 -1.422 1.00 0.00 C ATOM 543 NZ LYS A 40 49.869 4.810 -2.397 1.00 0.00 N ATOM 0 H LYS A 40 55.471 7.512 -0.969 1.00 0.00 H new ATOM 0 HA LYS A 40 54.362 6.810 1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.652 5.205 -0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 40 53.986 4.595 0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 40 52.228 6.391 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 40 52.892 6.998 -0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 40 52.451 4.777 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 40 51.783 4.174 -0.471 1.00 0.00 H new ATOM 0 HE2 LYS A 40 49.967 5.810 -0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 40 50.711 6.684 -1.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 48.847 4.998 -2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 50.223 5.002 -3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 50.046 3.814 -2.156 1.00 0.00 H new ATOM 557 N VAL A 41 57.302 6.466 0.600 1.00 0.00 N ATOM 558 CA VAL A 41 58.689 6.010 0.876 1.00 0.00 C ATOM 559 C VAL A 41 59.586 7.239 0.961 1.00 0.00 C ATOM 560 O VAL A 41 59.247 8.305 0.488 1.00 0.00 O ATOM 561 CB VAL A 41 59.170 5.114 -0.263 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.649 4.801 -0.102 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.363 3.810 -0.280 1.00 0.00 C ATOM 0 H VAL A 41 57.230 7.193 -0.112 1.00 0.00 H new ATOM 0 HA VAL A 41 58.721 5.449 1.810 1.00 0.00 H new ATOM 0 HB VAL A 41 59.022 5.640 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 41 60.977 4.161 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.221 5.729 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 41 60.811 4.288 0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.712 3.177 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.495 3.288 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.307 4.038 -0.424 1.00 0.00 H new ATOM 573 N ARG A 42 60.727 7.086 1.554 1.00 0.00 N ATOM 574 CA ARG A 42 61.690 8.222 1.685 1.00 0.00 C ATOM 575 C ARG A 42 63.013 7.805 1.047 1.00 0.00 C ATOM 576 O ARG A 42 63.923 8.594 0.888 1.00 0.00 O ATOM 577 CB ARG A 42 61.881 8.538 3.173 1.00 0.00 C ATOM 578 CG ARG A 42 62.859 9.701 3.349 1.00 0.00 C ATOM 579 CD ARG A 42 62.886 10.127 4.817 1.00 0.00 C ATOM 580 NE ARG A 42 61.595 10.785 5.172 1.00 0.00 N ATOM 581 CZ ARG A 42 61.383 12.029 4.838 1.00 0.00 C ATOM 582 NH1 ARG A 42 62.290 12.687 4.168 1.00 0.00 N ATOM 583 NH2 ARG A 42 60.264 12.615 5.171 1.00 0.00 N ATOM 0 H ARG A 42 61.047 6.208 1.964 1.00 0.00 H new ATOM 0 HA ARG A 42 61.316 9.114 1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 42 60.921 8.790 3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 42 62.256 7.657 3.693 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.857 9.403 3.027 1.00 0.00 H new ATOM 0 HG3 ARG A 42 62.559 10.540 2.721 1.00 0.00 H new ATOM 0 HD2 ARG A 42 63.050 9.259 5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 42 63.715 10.813 4.992 1.00 0.00 H new ATOM 0 HE ARG A 42 60.878 10.263 5.676 1.00 0.00 H new ATOM 0 HH11 ARG A 42 63.163 12.229 3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 42 62.126 13.659 3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 42 59.554 12.100 5.693 1.00 0.00 H new ATOM 0 HH22 ARG A 42 60.100 13.587 4.909 1.00 0.00 H new ATOM 597 N GLY A 43 63.120 6.557 0.670 1.00 0.00 N ATOM 598 CA GLY A 43 64.378 6.054 0.034 1.00 0.00 C ATOM 599 C GLY A 43 64.698 4.672 0.605 1.00 0.00 C ATOM 600 O GLY A 43 63.843 4.019 1.159 1.00 0.00 O ATOM 0 H GLY A 43 62.385 5.858 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.258 5.997 -1.048 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.201 6.742 0.228 1.00 0.00 H new ATOM 604 N VAL A 44 65.924 4.222 0.476 1.00 0.00 N ATOM 605 CA VAL A 44 66.312 2.876 1.020 1.00 0.00 C ATOM 606 C VAL A 44 67.467 3.049 2.006 1.00 0.00 C ATOM 607 O VAL A 44 68.459 3.681 1.702 1.00 0.00 O ATOM 608 CB VAL A 44 66.776 1.972 -0.128 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.245 0.630 0.445 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.623 1.732 -1.119 1.00 0.00 C ATOM 0 H VAL A 44 66.678 4.731 0.015 1.00 0.00 H new ATOM 0 HA VAL A 44 65.454 2.426 1.519 1.00 0.00 H new ATOM 0 HB VAL A 44 67.597 2.458 -0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.576 -0.017 -0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.072 0.798 1.135 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.421 0.153 0.976 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.967 1.089 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.793 1.252 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.292 2.686 -1.529 1.00 0.00 H new ATOM 620 N SER A 45 67.361 2.484 3.180 1.00 0.00 N ATOM 621 CA SER A 45 68.467 2.612 4.171 1.00 0.00 C ATOM 622 C SER A 45 69.479 1.503 3.905 1.00 0.00 C ATOM 623 O SER A 45 69.116 0.368 3.670 1.00 0.00 O ATOM 624 CB SER A 45 67.909 2.487 5.597 1.00 0.00 C ATOM 625 OG SER A 45 67.550 3.778 6.072 1.00 0.00 O ATOM 0 H SER A 45 66.557 1.940 3.494 1.00 0.00 H new ATOM 0 HA SER A 45 68.947 3.586 4.074 1.00 0.00 H new ATOM 0 HB2 SER A 45 67.040 1.829 5.604 1.00 0.00 H new ATOM 0 HB3 SER A 45 68.654 2.039 6.254 1.00 0.00 H new ATOM 0 HG SER A 45 67.192 3.704 6.981 1.00 0.00 H new ATOM 631 N VAL A 46 70.745 1.824 3.942 1.00 0.00 N ATOM 632 CA VAL A 46 71.793 0.790 3.693 1.00 0.00 C ATOM 633 C VAL A 46 72.862 0.877 4.775 1.00 0.00 C ATOM 634 O VAL A 46 73.351 1.943 5.098 1.00 0.00 O ATOM 635 CB VAL A 46 72.426 1.020 2.316 1.00 0.00 C ATOM 636 CG1 VAL A 46 71.322 1.168 1.266 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.279 2.293 2.340 1.00 0.00 C ATOM 0 H VAL A 46 71.100 2.761 4.135 1.00 0.00 H new ATOM 0 HA VAL A 46 71.339 -0.200 3.716 1.00 0.00 H new ATOM 0 HB VAL A 46 73.059 0.168 2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 46 71.771 1.332 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 46 70.719 0.260 1.242 1.00 0.00 H new ATOM 0 HG13 VAL A 46 70.689 2.018 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 46 73.726 2.450 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 46 72.651 3.147 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 46 74.068 2.188 3.085 1.00 0.00 H new ATOM 647 N SER A 47 73.239 -0.246 5.321 1.00 0.00 N ATOM 648 CA SER A 47 74.295 -0.276 6.375 1.00 0.00 C ATOM 649 C SER A 47 75.407 -1.193 5.891 1.00 0.00 C ATOM 650 O SER A 47 75.155 -2.194 5.249 1.00 0.00 O ATOM 651 CB SER A 47 73.719 -0.822 7.676 1.00 0.00 C ATOM 652 OG SER A 47 73.515 -2.223 7.550 1.00 0.00 O ATOM 0 H SER A 47 72.854 -1.159 5.078 1.00 0.00 H new ATOM 0 HA SER A 47 74.673 0.730 6.558 1.00 0.00 H new ATOM 0 HB2 SER A 47 74.399 -0.615 8.503 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.776 -0.325 7.906 1.00 0.00 H new ATOM 0 HG SER A 47 73.146 -2.576 8.386 1.00 0.00 H new ATOM 658 N GLY A 48 76.635 -0.848 6.169 1.00 0.00 N ATOM 659 CA GLY A 48 77.782 -1.694 5.691 1.00 0.00 C ATOM 660 C GLY A 48 78.765 -1.981 6.826 1.00 0.00 C ATOM 661 O GLY A 48 79.037 -1.139 7.660 1.00 0.00 O ATOM 0 H GLY A 48 76.900 -0.021 6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 48 77.402 -2.633 5.289 1.00 0.00 H new ATOM 0 HA3 GLY A 48 78.299 -1.185 4.878 1.00 0.00 H new ATOM 665 N VAL A 49 79.316 -3.172 6.839 1.00 0.00 N ATOM 666 CA VAL A 49 80.313 -3.558 7.890 1.00 0.00 C ATOM 667 C VAL A 49 81.589 -4.070 7.217 1.00 0.00 C ATOM 668 O VAL A 49 81.549 -4.925 6.356 1.00 0.00 O ATOM 669 CB VAL A 49 79.742 -4.671 8.774 1.00 0.00 C ATOM 670 CG1 VAL A 49 80.803 -5.102 9.790 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.514 -4.153 9.523 1.00 0.00 C ATOM 0 H VAL A 49 79.115 -3.903 6.157 1.00 0.00 H new ATOM 0 HA VAL A 49 80.535 -2.684 8.503 1.00 0.00 H new ATOM 0 HB VAL A 49 79.458 -5.519 8.151 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.401 -5.894 10.422 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.683 -5.470 9.263 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.081 -4.249 10.410 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.109 -4.947 10.151 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.799 -3.306 10.147 1.00 0.00 H new ATOM 0 HG23 VAL A 49 77.757 -3.837 8.806 1.00 0.00 H new ATOM 681 N PHE A 50 82.722 -3.557 7.619 1.00 0.00 N ATOM 682 CA PHE A 50 84.019 -4.002 7.034 1.00 0.00 C ATOM 683 C PHE A 50 84.714 -4.925 8.044 1.00 0.00 C ATOM 684 O PHE A 50 85.004 -4.539 9.159 1.00 0.00 O ATOM 685 CB PHE A 50 84.893 -2.759 6.744 1.00 0.00 C ATOM 686 CG PHE A 50 84.631 -2.260 5.334 1.00 0.00 C ATOM 687 CD1 PHE A 50 85.050 -3.041 4.257 1.00 0.00 C ATOM 688 CD2 PHE A 50 83.980 -1.035 5.100 1.00 0.00 C ATOM 689 CE1 PHE A 50 84.824 -2.612 2.945 1.00 0.00 C ATOM 690 CE2 PHE A 50 83.754 -0.607 3.786 1.00 0.00 C ATOM 691 CZ PHE A 50 84.178 -1.396 2.710 1.00 0.00 C ATOM 0 H PHE A 50 82.803 -2.838 8.338 1.00 0.00 H new ATOM 0 HA PHE A 50 83.859 -4.543 6.101 1.00 0.00 H new ATOM 0 HB2 PHE A 50 84.671 -1.972 7.465 1.00 0.00 H new ATOM 0 HB3 PHE A 50 85.947 -3.010 6.860 1.00 0.00 H new ATOM 0 HD1 PHE A 50 85.551 -3.981 4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 50 83.656 -0.427 5.931 1.00 0.00 H new ATOM 0 HE1 PHE A 50 85.149 -3.221 2.114 1.00 0.00 H new ATOM 0 HE2 PHE A 50 83.253 0.332 3.603 1.00 0.00 H new ATOM 0 HZ PHE A 50 84.005 -1.064 1.697 1.00 0.00 H new ATOM 701 N TYR A 51 84.973 -6.149 7.658 1.00 0.00 N ATOM 702 CA TYR A 51 85.638 -7.115 8.587 1.00 0.00 C ATOM 703 C TYR A 51 87.138 -7.138 8.306 1.00 0.00 C ATOM 704 O TYR A 51 87.570 -7.397 7.200 1.00 0.00 O ATOM 705 CB TYR A 51 85.053 -8.515 8.365 1.00 0.00 C ATOM 706 CG TYR A 51 83.678 -8.592 8.986 1.00 0.00 C ATOM 707 CD1 TYR A 51 82.560 -8.142 8.274 1.00 0.00 C ATOM 708 CD2 TYR A 51 83.523 -9.114 10.274 1.00 0.00 C ATOM 709 CE1 TYR A 51 81.286 -8.213 8.853 1.00 0.00 C ATOM 710 CE2 TYR A 51 82.250 -9.187 10.853 1.00 0.00 C ATOM 711 CZ TYR A 51 81.132 -8.735 10.142 1.00 0.00 C ATOM 712 OH TYR A 51 79.878 -8.803 10.714 1.00 0.00 O ATOM 0 H TYR A 51 84.752 -6.523 6.735 1.00 0.00 H new ATOM 0 HA TYR A 51 85.468 -6.808 9.619 1.00 0.00 H new ATOM 0 HB2 TYR A 51 84.994 -8.731 7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 51 85.706 -9.268 8.807 1.00 0.00 H new ATOM 0 HD1 TYR A 51 82.679 -7.740 7.279 1.00 0.00 H new ATOM 0 HD2 TYR A 51 84.386 -9.461 10.823 1.00 0.00 H new ATOM 0 HE1 TYR A 51 80.423 -7.865 8.305 1.00 0.00 H new ATOM 0 HE2 TYR A 51 82.131 -9.592 11.847 1.00 0.00 H new ATOM 0 HH TYR A 51 79.948 -9.192 11.611 1.00 0.00 H new ATOM 722 N TYR A 52 87.936 -6.865 9.308 1.00 0.00 N ATOM 723 CA TYR A 52 89.420 -6.862 9.126 1.00 0.00 C ATOM 724 C TYR A 52 90.028 -8.069 9.842 1.00 0.00 C ATOM 725 O TYR A 52 89.787 -8.295 11.012 1.00 0.00 O ATOM 726 CB TYR A 52 90.000 -5.579 9.731 1.00 0.00 C ATOM 727 CG TYR A 52 89.428 -4.370 9.024 1.00 0.00 C ATOM 728 CD1 TYR A 52 89.992 -3.927 7.820 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.337 -3.688 9.577 1.00 0.00 C ATOM 730 CE1 TYR A 52 89.463 -2.804 7.170 1.00 0.00 C ATOM 731 CE2 TYR A 52 87.809 -2.566 8.928 1.00 0.00 C ATOM 732 CZ TYR A 52 88.373 -2.123 7.725 1.00 0.00 C ATOM 733 OH TYR A 52 87.851 -1.016 7.082 1.00 0.00 O ATOM 0 H TYR A 52 87.620 -6.642 10.252 1.00 0.00 H new ATOM 0 HA TYR A 52 89.654 -6.912 8.063 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.769 -5.532 10.795 1.00 0.00 H new ATOM 0 HB3 TYR A 52 91.086 -5.583 9.641 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.834 -4.451 7.393 1.00 0.00 H new ATOM 0 HD2 TYR A 52 87.903 -4.028 10.505 1.00 0.00 H new ATOM 0 HE1 TYR A 52 89.896 -2.464 6.241 1.00 0.00 H new ATOM 0 HE2 TYR A 52 86.967 -2.042 9.355 1.00 0.00 H new ATOM 0 HH TYR A 52 87.098 -0.662 7.599 1.00 0.00 H new ATOM 743 N ASN A 53 90.829 -8.842 9.151 1.00 0.00 N ATOM 744 CA ASN A 53 91.473 -10.028 9.793 1.00 0.00 C ATOM 745 C ASN A 53 92.033 -9.623 11.158 1.00 0.00 C ATOM 746 O ASN A 53 92.325 -10.453 11.995 1.00 0.00 O ATOM 747 CB ASN A 53 92.616 -10.539 8.913 1.00 0.00 C ATOM 748 CG ASN A 53 93.056 -11.917 9.412 1.00 0.00 C ATOM 749 OD1 ASN A 53 93.924 -12.540 8.834 1.00 0.00 O ATOM 750 ND2 ASN A 53 92.491 -12.416 10.477 1.00 0.00 N ATOM 0 H ASN A 53 91.065 -8.702 8.169 1.00 0.00 H new ATOM 0 HA ASN A 53 90.731 -10.817 9.915 1.00 0.00 H new ATOM 0 HB2 ASN A 53 92.292 -10.601 7.874 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.454 -9.843 8.944 1.00 0.00 H new ATOM 0 HD21 ASN A 53 92.778 -13.331 10.826 1.00 0.00 H new ATOM 0 HD22 ASN A 53 91.762 -11.891 10.961 1.00 0.00 H new ATOM 757 N ASP A 54 92.186 -8.347 11.381 1.00 0.00 N ATOM 758 CA ASP A 54 92.727 -7.875 12.684 1.00 0.00 C ATOM 759 C ASP A 54 91.706 -8.183 13.782 1.00 0.00 C ATOM 760 O ASP A 54 91.908 -7.878 14.940 1.00 0.00 O ATOM 761 CB ASP A 54 92.974 -6.361 12.611 1.00 0.00 C ATOM 762 CG ASP A 54 93.928 -5.937 13.730 1.00 0.00 C ATOM 763 OD1 ASP A 54 93.860 -6.526 14.797 1.00 0.00 O ATOM 764 OD2 ASP A 54 94.712 -5.031 13.501 1.00 0.00 O ATOM 0 H ASP A 54 91.959 -7.610 10.714 1.00 0.00 H new ATOM 0 HA ASP A 54 93.667 -8.380 12.907 1.00 0.00 H new ATOM 0 HB2 ASP A 54 93.397 -6.099 11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 54 92.030 -5.824 12.703 1.00 0.00 H new ATOM 769 N GLY A 55 90.611 -8.800 13.423 1.00 0.00 N ATOM 770 CA GLY A 55 89.578 -9.146 14.439 1.00 0.00 C ATOM 771 C GLY A 55 88.802 -7.892 14.840 1.00 0.00 C ATOM 772 O GLY A 55 88.231 -7.829 15.911 1.00 0.00 O ATOM 0 H GLY A 55 90.389 -9.079 12.467 1.00 0.00 H new ATOM 0 HA2 GLY A 55 88.895 -9.893 14.036 1.00 0.00 H new ATOM 0 HA3 GLY A 55 90.052 -9.587 15.316 1.00 0.00 H new ATOM 776 N THR A 56 88.778 -6.893 13.991 1.00 0.00 N ATOM 777 CA THR A 56 88.039 -5.629 14.314 1.00 0.00 C ATOM 778 C THR A 56 86.983 -5.358 13.253 1.00 0.00 C ATOM 779 O THR A 56 87.136 -5.718 12.110 1.00 0.00 O ATOM 780 CB THR A 56 89.025 -4.459 14.357 1.00 0.00 C ATOM 781 OG1 THR A 56 89.887 -4.527 13.228 1.00 0.00 O ATOM 782 CG2 THR A 56 89.846 -4.536 15.644 1.00 0.00 C ATOM 0 H THR A 56 89.241 -6.898 13.082 1.00 0.00 H new ATOM 0 HA THR A 56 87.554 -5.738 15.284 1.00 0.00 H new ATOM 0 HB THR A 56 88.479 -3.516 14.335 1.00 0.00 H new ATOM 0 HG1 THR A 56 90.518 -3.778 13.253 1.00 0.00 H new ATOM 0 HG21 THR A 56 90.549 -3.704 15.677 1.00 0.00 H new ATOM 0 HG22 THR A 56 89.179 -4.482 16.505 1.00 0.00 H new ATOM 0 HG23 THR A 56 90.396 -5.477 15.669 1.00 0.00 H new ATOM 790 N THR A 57 85.903 -4.720 13.631 1.00 0.00 N ATOM 791 CA THR A 57 84.817 -4.416 12.643 1.00 0.00 C ATOM 792 C THR A 57 84.360 -2.966 12.792 1.00 0.00 C ATOM 793 O THR A 57 84.172 -2.462 13.882 1.00 0.00 O ATOM 794 CB THR A 57 83.617 -5.338 12.890 1.00 0.00 C ATOM 795 OG1 THR A 57 83.129 -5.133 14.209 1.00 0.00 O ATOM 796 CG2 THR A 57 84.041 -6.799 12.722 1.00 0.00 C ATOM 0 H THR A 57 85.725 -4.396 14.581 1.00 0.00 H new ATOM 0 HA THR A 57 85.208 -4.575 11.638 1.00 0.00 H new ATOM 0 HB THR A 57 82.832 -5.109 12.170 1.00 0.00 H new ATOM 0 HG1 THR A 57 82.361 -5.720 14.369 1.00 0.00 H new ATOM 0 HG21 THR A 57 83.184 -7.449 12.899 1.00 0.00 H new ATOM 0 HG22 THR A 57 84.413 -6.956 11.709 1.00 0.00 H new ATOM 0 HG23 THR A 57 84.829 -7.034 13.438 1.00 0.00 H new ATOM 804 N SER A 58 84.148 -2.309 11.683 1.00 0.00 N ATOM 805 CA SER A 58 83.662 -0.896 11.688 1.00 0.00 C ATOM 806 C SER A 58 82.326 -0.877 10.950 1.00 0.00 C ATOM 807 O SER A 58 82.154 -1.592 9.989 1.00 0.00 O ATOM 808 CB SER A 58 84.664 -0.005 10.954 1.00 0.00 C ATOM 809 OG SER A 58 84.191 1.336 10.962 1.00 0.00 O ATOM 0 H SER A 58 84.294 -2.701 10.753 1.00 0.00 H new ATOM 0 HA SER A 58 83.551 -0.527 12.707 1.00 0.00 H new ATOM 0 HB2 SER A 58 85.640 -0.062 11.436 1.00 0.00 H new ATOM 0 HB3 SER A 58 84.794 -0.351 9.929 1.00 0.00 H new ATOM 0 HG SER A 58 84.831 1.912 10.494 1.00 0.00 H new ATOM 815 N ASN A 59 81.374 -0.083 11.369 1.00 0.00 N ATOM 816 CA ASN A 59 80.058 -0.058 10.649 1.00 0.00 C ATOM 817 C ASN A 59 79.611 1.372 10.430 1.00 0.00 C ATOM 818 O ASN A 59 79.555 2.174 11.341 1.00 0.00 O ATOM 819 CB ASN A 59 78.995 -0.769 11.472 1.00 0.00 C ATOM 820 CG ASN A 59 77.718 -0.916 10.641 1.00 0.00 C ATOM 821 OD1 ASN A 59 77.661 -0.477 9.510 1.00 0.00 O ATOM 822 ND2 ASN A 59 76.679 -1.515 11.160 1.00 0.00 N ATOM 0 H ASN A 59 81.446 0.544 12.170 1.00 0.00 H new ATOM 0 HA ASN A 59 80.186 -0.561 9.691 1.00 0.00 H new ATOM 0 HB2 ASN A 59 79.355 -1.750 11.781 1.00 0.00 H new ATOM 0 HB3 ASN A 59 78.787 -0.205 12.381 1.00 0.00 H new ATOM 0 HD21 ASN A 59 75.822 -1.613 10.615 1.00 0.00 H new ATOM 0 HD22 ASN A 59 76.725 -1.884 12.110 1.00 0.00 H new ATOM 829 N PHE A 60 79.257 1.673 9.219 1.00 0.00 N ATOM 830 CA PHE A 60 78.759 3.037 8.876 1.00 0.00 C ATOM 831 C PHE A 60 77.321 2.903 8.401 1.00 0.00 C ATOM 832 O PHE A 60 77.018 2.106 7.536 1.00 0.00 O ATOM 833 CB PHE A 60 79.595 3.644 7.758 1.00 0.00 C ATOM 834 CG PHE A 60 79.104 5.042 7.473 1.00 0.00 C ATOM 835 CD1 PHE A 60 78.079 5.251 6.541 1.00 0.00 C ATOM 836 CD2 PHE A 60 79.679 6.129 8.140 1.00 0.00 C ATOM 837 CE1 PHE A 60 77.630 6.551 6.279 1.00 0.00 C ATOM 838 CE2 PHE A 60 79.230 7.428 7.877 1.00 0.00 C ATOM 839 CZ PHE A 60 78.206 7.639 6.946 1.00 0.00 C ATOM 0 H PHE A 60 79.290 1.023 8.434 1.00 0.00 H new ATOM 0 HA PHE A 60 78.826 3.683 9.751 1.00 0.00 H new ATOM 0 HB2 PHE A 60 80.646 3.667 8.045 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.523 3.030 6.860 1.00 0.00 H new ATOM 0 HD1 PHE A 60 77.636 4.411 6.026 1.00 0.00 H new ATOM 0 HD2 PHE A 60 80.469 5.966 8.858 1.00 0.00 H new ATOM 0 HE1 PHE A 60 76.839 6.715 5.562 1.00 0.00 H new ATOM 0 HE2 PHE A 60 79.673 8.267 8.392 1.00 0.00 H new ATOM 0 HZ PHE A 60 77.860 8.642 6.742 1.00 0.00 H new ATOM 849 N LYS A 61 76.441 3.672 8.962 1.00 0.00 N ATOM 850 CA LYS A 61 75.009 3.614 8.568 1.00 0.00 C ATOM 851 C LYS A 61 74.636 4.933 7.910 1.00 0.00 C ATOM 852 O LYS A 61 75.085 5.991 8.301 1.00 0.00 O ATOM 853 CB LYS A 61 74.138 3.384 9.803 1.00 0.00 C ATOM 854 CG LYS A 61 72.673 3.239 9.381 1.00 0.00 C ATOM 855 CD LYS A 61 71.867 2.629 10.534 1.00 0.00 C ATOM 856 CE LYS A 61 71.838 3.597 11.721 1.00 0.00 C ATOM 857 NZ LYS A 61 73.119 3.496 12.478 1.00 0.00 N ATOM 0 H LYS A 61 76.655 4.352 9.691 1.00 0.00 H new ATOM 0 HA LYS A 61 74.848 2.791 7.871 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.465 2.487 10.329 1.00 0.00 H new ATOM 0 HB3 LYS A 61 74.246 4.218 10.497 1.00 0.00 H new ATOM 0 HG2 LYS A 61 72.263 4.212 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 61 72.599 2.606 8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 61 70.851 2.414 10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 61 72.311 1.681 10.838 1.00 0.00 H new ATOM 0 HE2 LYS A 61 71.692 4.618 11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 61 70.998 3.362 12.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 72.918 3.457 13.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 73.624 2.633 12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 73.710 4.327 12.273 1.00 0.00 H new ATOM 871 N GLY A 62 73.820 4.871 6.914 1.00 0.00 N ATOM 872 CA GLY A 62 73.400 6.113 6.205 1.00 0.00 C ATOM 873 C GLY A 62 72.181 5.811 5.329 1.00 0.00 C ATOM 874 O GLY A 62 71.801 4.669 5.161 1.00 0.00 O ATOM 0 H GLY A 62 73.416 4.008 6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 62 73.158 6.893 6.927 1.00 0.00 H new ATOM 0 HA3 GLY A 62 74.219 6.489 5.591 1.00 0.00 H new ATOM 878 N VAL A 63 71.561 6.829 4.779 1.00 0.00 N ATOM 879 CA VAL A 63 70.353 6.618 3.913 1.00 0.00 C ATOM 880 C VAL A 63 70.681 7.026 2.474 1.00 0.00 C ATOM 881 O VAL A 63 71.142 8.120 2.222 1.00 0.00 O ATOM 882 CB VAL A 63 69.201 7.479 4.441 1.00 0.00 C ATOM 883 CG1 VAL A 63 67.957 7.272 3.573 1.00 0.00 C ATOM 884 CG2 VAL A 63 68.889 7.077 5.883 1.00 0.00 C ATOM 0 H VAL A 63 71.841 7.803 4.893 1.00 0.00 H new ATOM 0 HA VAL A 63 70.064 5.567 3.933 1.00 0.00 H new ATOM 0 HB VAL A 63 69.491 8.529 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 63 67.141 7.887 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.179 7.559 2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.664 6.223 3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 63 68.070 7.688 6.262 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.602 6.026 5.914 1.00 0.00 H new ATOM 0 HG23 VAL A 63 69.772 7.230 6.503 1.00 0.00 H new ATOM 894 N VAL A 64 70.455 6.152 1.524 1.00 0.00 N ATOM 895 CA VAL A 64 70.766 6.490 0.099 1.00 0.00 C ATOM 896 C VAL A 64 69.497 6.984 -0.610 1.00 0.00 C ATOM 897 O VAL A 64 68.531 6.258 -0.752 1.00 0.00 O ATOM 898 CB VAL A 64 71.290 5.234 -0.610 1.00 0.00 C ATOM 899 CG1 VAL A 64 71.425 5.502 -2.114 1.00 0.00 C ATOM 900 CG2 VAL A 64 72.660 4.861 -0.039 1.00 0.00 C ATOM 0 H VAL A 64 70.069 5.220 1.673 1.00 0.00 H new ATOM 0 HA VAL A 64 71.520 7.276 0.069 1.00 0.00 H new ATOM 0 HB VAL A 64 70.589 4.415 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.797 4.606 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.451 5.767 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.123 6.324 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 64 73.033 3.969 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.356 5.685 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 64 72.568 4.664 1.029 1.00 0.00 H new ATOM 910 N THR A 65 69.508 8.214 -1.071 1.00 0.00 N ATOM 911 CA THR A 65 68.325 8.786 -1.796 1.00 0.00 C ATOM 912 C THR A 65 68.807 9.339 -3.146 1.00 0.00 C ATOM 913 O THR A 65 69.936 9.774 -3.261 1.00 0.00 O ATOM 914 CB THR A 65 67.718 9.933 -0.976 1.00 0.00 C ATOM 915 OG1 THR A 65 68.588 11.056 -1.029 1.00 0.00 O ATOM 916 CG2 THR A 65 67.541 9.494 0.477 1.00 0.00 C ATOM 0 H THR A 65 70.296 8.854 -0.975 1.00 0.00 H new ATOM 0 HA THR A 65 67.572 8.012 -1.944 1.00 0.00 H new ATOM 0 HB THR A 65 66.745 10.200 -1.390 1.00 0.00 H new ATOM 0 HG1 THR A 65 68.204 11.792 -0.508 1.00 0.00 H new ATOM 0 HG21 THR A 65 67.110 10.312 1.054 1.00 0.00 H new ATOM 0 HG22 THR A 65 66.876 8.631 0.518 1.00 0.00 H new ATOM 0 HG23 THR A 65 68.510 9.225 0.897 1.00 0.00 H new ATOM 924 N PRO A 66 67.973 9.337 -4.161 1.00 0.00 N ATOM 925 CA PRO A 66 68.352 9.865 -5.502 1.00 0.00 C ATOM 926 C PRO A 66 69.248 11.110 -5.425 1.00 0.00 C ATOM 927 O PRO A 66 69.944 11.434 -6.368 1.00 0.00 O ATOM 928 CB PRO A 66 66.997 10.213 -6.120 1.00 0.00 C ATOM 929 CG PRO A 66 66.054 9.195 -5.561 1.00 0.00 C ATOM 930 CD PRO A 66 66.582 8.837 -4.159 1.00 0.00 C ATOM 0 HA PRO A 66 68.937 9.146 -6.076 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.689 11.225 -5.857 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.033 10.164 -7.208 1.00 0.00 H new ATOM 0 HG2 PRO A 66 65.041 9.594 -5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 66 66.014 8.312 -6.198 1.00 0.00 H new ATOM 0 HD2 PRO A 66 65.989 9.310 -3.377 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.545 7.762 -3.981 1.00 0.00 H new ATOM 938 N SER A 67 69.218 11.824 -4.322 1.00 0.00 N ATOM 939 CA SER A 67 70.047 13.069 -4.193 1.00 0.00 C ATOM 940 C SER A 67 71.137 12.913 -3.121 1.00 0.00 C ATOM 941 O SER A 67 72.065 13.696 -3.071 1.00 0.00 O ATOM 942 CB SER A 67 69.127 14.226 -3.808 1.00 0.00 C ATOM 943 OG SER A 67 69.820 15.456 -3.978 1.00 0.00 O ATOM 0 H SER A 67 68.654 11.598 -3.503 1.00 0.00 H new ATOM 0 HA SER A 67 70.539 13.260 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 67 68.229 14.213 -4.426 1.00 0.00 H new ATOM 0 HB3 SER A 67 68.803 14.118 -2.773 1.00 0.00 H new ATOM 0 HG SER A 67 70.785 15.300 -3.908 1.00 0.00 H new ATOM 949 N THR A 68 71.036 11.929 -2.258 1.00 0.00 N ATOM 950 CA THR A 68 72.071 11.751 -1.184 1.00 0.00 C ATOM 951 C THR A 68 72.753 10.376 -1.325 1.00 0.00 C ATOM 952 O THR A 68 72.165 9.365 -0.996 1.00 0.00 O ATOM 953 CB THR A 68 71.366 11.811 0.173 1.00 0.00 C ATOM 954 OG1 THR A 68 70.745 13.081 0.323 1.00 0.00 O ATOM 955 CG2 THR A 68 72.386 11.603 1.294 1.00 0.00 C ATOM 0 H THR A 68 70.283 11.241 -2.249 1.00 0.00 H new ATOM 0 HA THR A 68 72.825 12.534 -1.270 1.00 0.00 H new ATOM 0 HB THR A 68 70.611 11.026 0.226 1.00 0.00 H new ATOM 0 HG1 THR A 68 70.291 13.123 1.190 1.00 0.00 H new ATOM 0 HG21 THR A 68 71.880 11.646 2.259 1.00 0.00 H new ATOM 0 HG22 THR A 68 72.862 10.629 1.177 1.00 0.00 H new ATOM 0 HG23 THR A 68 73.144 12.385 1.246 1.00 0.00 H new ATOM 963 N PRO A 69 73.989 10.327 -1.786 1.00 0.00 N ATOM 964 CA PRO A 69 74.743 9.048 -1.934 1.00 0.00 C ATOM 965 C PRO A 69 75.567 8.705 -0.678 1.00 0.00 C ATOM 966 O PRO A 69 75.816 9.551 0.158 1.00 0.00 O ATOM 967 CB PRO A 69 75.667 9.359 -3.108 1.00 0.00 C ATOM 968 CG PRO A 69 76.029 10.799 -2.918 1.00 0.00 C ATOM 969 CD PRO A 69 74.813 11.467 -2.243 1.00 0.00 C ATOM 0 HA PRO A 69 74.091 8.187 -2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 69 76.551 8.721 -3.099 1.00 0.00 H new ATOM 0 HB3 PRO A 69 75.167 9.197 -4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 69 76.920 10.897 -2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 69 76.252 11.273 -3.874 1.00 0.00 H new ATOM 0 HD2 PRO A 69 75.117 12.100 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 69 74.266 12.100 -2.942 1.00 0.00 H new ATOM 977 N VAL A 70 75.999 7.470 -0.552 1.00 0.00 N ATOM 978 CA VAL A 70 76.824 7.046 0.633 1.00 0.00 C ATOM 979 C VAL A 70 78.102 6.372 0.126 1.00 0.00 C ATOM 980 O VAL A 70 78.056 5.514 -0.728 1.00 0.00 O ATOM 981 CB VAL A 70 76.027 6.063 1.490 1.00 0.00 C ATOM 982 CG1 VAL A 70 76.868 5.631 2.697 1.00 0.00 C ATOM 983 CG2 VAL A 70 74.747 6.749 1.977 1.00 0.00 C ATOM 0 H VAL A 70 75.814 6.728 -1.227 1.00 0.00 H new ATOM 0 HA VAL A 70 77.079 7.916 1.238 1.00 0.00 H new ATOM 0 HB VAL A 70 75.772 5.184 0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.297 4.930 3.306 1.00 0.00 H new ATOM 0 HG12 VAL A 70 77.782 5.149 2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 70 77.124 6.506 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 70 74.172 6.054 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 70 75.007 7.626 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.149 7.056 1.119 1.00 0.00 H new ATOM 993 N ASN A 71 79.245 6.777 0.620 1.00 0.00 N ATOM 994 CA ASN A 71 80.535 6.185 0.132 1.00 0.00 C ATOM 995 C ASN A 71 81.075 5.121 1.094 1.00 0.00 C ATOM 996 O ASN A 71 81.182 5.339 2.283 1.00 0.00 O ATOM 997 CB ASN A 71 81.568 7.306 0.016 1.00 0.00 C ATOM 998 CG ASN A 71 81.131 8.288 -1.072 1.00 0.00 C ATOM 999 OD1 ASN A 71 80.860 7.891 -2.187 1.00 0.00 O ATOM 1000 ND2 ASN A 71 81.044 9.561 -0.795 1.00 0.00 N ATOM 0 H ASN A 71 79.344 7.492 1.341 1.00 0.00 H new ATOM 0 HA ASN A 71 80.350 5.709 -0.831 1.00 0.00 H new ATOM 0 HB2 ASN A 71 81.668 7.824 0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 71 82.546 6.891 -0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 71 80.749 10.221 -1.515 1.00 0.00 H new ATOM 0 HD22 ASN A 71 81.271 9.896 0.141 1.00 0.00 H new ATOM 1007 N THR A 72 81.463 3.981 0.574 1.00 0.00 N ATOM 1008 CA THR A 72 82.054 2.901 1.427 1.00 0.00 C ATOM 1009 C THR A 72 83.557 2.889 1.157 1.00 0.00 C ATOM 1010 O THR A 72 84.246 1.918 1.402 1.00 0.00 O ATOM 1011 CB THR A 72 81.457 1.548 1.028 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.362 0.516 1.370 1.00 0.00 O ATOM 1013 CG2 THR A 72 81.194 1.516 -0.480 1.00 0.00 C ATOM 0 H THR A 72 81.394 3.750 -0.417 1.00 0.00 H new ATOM 0 HA THR A 72 81.845 3.079 2.482 1.00 0.00 H new ATOM 0 HB THR A 72 80.516 1.402 1.558 1.00 0.00 H new ATOM 0 HG1 THR A 72 83.094 0.887 1.905 1.00 0.00 H new ATOM 0 HG21 THR A 72 80.770 0.550 -0.755 1.00 0.00 H new ATOM 0 HG22 THR A 72 80.494 2.309 -0.744 1.00 0.00 H new ATOM 0 HG23 THR A 72 82.131 1.666 -1.016 1.00 0.00 H new ATOM 1021 N ASN A 73 84.060 3.975 0.635 1.00 0.00 N ATOM 1022 CA ASN A 73 85.509 4.066 0.316 1.00 0.00 C ATOM 1023 C ASN A 73 86.319 4.058 1.606 1.00 0.00 C ATOM 1024 O ASN A 73 87.129 4.932 1.847 1.00 0.00 O ATOM 1025 CB ASN A 73 85.769 5.371 -0.440 1.00 0.00 C ATOM 1026 CG ASN A 73 87.245 5.465 -0.831 1.00 0.00 C ATOM 1027 OD1 ASN A 73 87.871 6.488 -0.638 1.00 0.00 O ATOM 1028 ND2 ASN A 73 87.831 4.435 -1.375 1.00 0.00 N ATOM 0 H ASN A 73 83.520 4.812 0.414 1.00 0.00 H new ATOM 0 HA ASN A 73 85.805 3.215 -0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 73 85.145 5.414 -1.332 1.00 0.00 H new ATOM 0 HB3 ASN A 73 85.494 6.222 0.183 1.00 0.00 H new ATOM 0 HD21 ASN A 73 88.815 4.488 -1.638 1.00 0.00 H new ATOM 0 HD22 ASN A 73 87.305 3.576 -1.537 1.00 0.00 H new ATOM 1035 N GLN A 74 86.120 3.071 2.436 1.00 0.00 N ATOM 1036 CA GLN A 74 86.894 3.007 3.710 1.00 0.00 C ATOM 1037 C GLN A 74 88.376 3.236 3.400 1.00 0.00 C ATOM 1038 O GLN A 74 88.785 3.209 2.256 1.00 0.00 O ATOM 1039 CB GLN A 74 86.710 1.631 4.357 1.00 0.00 C ATOM 1040 CG GLN A 74 87.201 0.530 3.405 1.00 0.00 C ATOM 1041 CD GLN A 74 88.724 0.391 3.500 1.00 0.00 C ATOM 1042 OE1 GLN A 74 89.421 0.523 2.513 1.00 0.00 O ATOM 1043 NE2 GLN A 74 89.271 0.126 4.655 1.00 0.00 N ATOM 0 H GLN A 74 85.458 2.309 2.289 1.00 0.00 H new ATOM 0 HA GLN A 74 86.537 3.773 4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 74 87.263 1.585 5.295 1.00 0.00 H new ATOM 0 HB3 GLN A 74 85.659 1.472 4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 74 86.725 -0.418 3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 74 86.913 0.769 2.381 1.00 0.00 H new ATOM 0 HE21 GLN A 74 88.686 0.015 5.483 1.00 0.00 H new ATOM 0 HE22 GLN A 74 90.284 0.030 4.730 1.00 0.00 H new ATOM 1052 N ASP A 75 89.181 3.480 4.395 1.00 0.00 N ATOM 1053 CA ASP A 75 90.623 3.729 4.119 1.00 0.00 C ATOM 1054 C ASP A 75 91.214 2.534 3.365 1.00 0.00 C ATOM 1055 O ASP A 75 91.244 1.423 3.857 1.00 0.00 O ATOM 1056 CB ASP A 75 91.367 3.933 5.441 1.00 0.00 C ATOM 1057 CG ASP A 75 90.870 5.216 6.112 1.00 0.00 C ATOM 1058 OD1 ASP A 75 90.579 6.161 5.396 1.00 0.00 O ATOM 1059 OD2 ASP A 75 90.787 5.232 7.329 1.00 0.00 O ATOM 0 H ASP A 75 88.908 3.518 5.377 1.00 0.00 H new ATOM 0 HA ASP A 75 90.729 4.624 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 75 91.204 3.079 6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 75 92.440 3.996 5.261 1.00 0.00 H new ATOM 1064 N ILE A 76 91.677 2.768 2.166 1.00 0.00 N ATOM 1065 CA ILE A 76 92.266 1.669 1.347 1.00 0.00 C ATOM 1066 C ILE A 76 93.593 1.231 1.958 1.00 0.00 C ATOM 1067 O ILE A 76 93.904 0.058 2.001 1.00 0.00 O ATOM 1068 CB ILE A 76 92.502 2.168 -0.083 1.00 0.00 C ATOM 1069 CG1 ILE A 76 91.166 2.611 -0.713 1.00 0.00 C ATOM 1070 CG2 ILE A 76 93.124 1.044 -0.919 1.00 0.00 C ATOM 1071 CD1 ILE A 76 90.138 1.467 -0.704 1.00 0.00 C ATOM 0 H ILE A 76 91.672 3.683 1.715 1.00 0.00 H new ATOM 0 HA ILE A 76 91.579 0.823 1.329 1.00 0.00 H new ATOM 0 HB ILE A 76 93.181 3.020 -0.060 1.00 0.00 H new ATOM 0 HG12 ILE A 76 90.768 3.465 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 76 91.336 2.942 -1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 76 93.292 1.398 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 76 94.074 0.745 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 76 92.448 0.189 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 76 89.207 1.811 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 76 90.527 0.624 -1.274 1.00 0.00 H new ATOM 0 HD13 ILE A 76 89.950 1.155 0.323 1.00 0.00 H new ATOM 1083 N ASN A 77 94.383 2.152 2.439 1.00 0.00 N ATOM 1084 CA ASN A 77 95.682 1.744 3.038 1.00 0.00 C ATOM 1085 C ASN A 77 95.383 0.734 4.142 1.00 0.00 C ATOM 1086 O ASN A 77 96.053 -0.264 4.280 1.00 0.00 O ATOM 1087 CB ASN A 77 96.378 2.973 3.629 1.00 0.00 C ATOM 1088 CG ASN A 77 97.723 2.566 4.231 1.00 0.00 C ATOM 1089 OD1 ASN A 77 97.891 2.572 5.435 1.00 0.00 O ATOM 1090 ND2 ASN A 77 98.697 2.210 3.438 1.00 0.00 N ATOM 0 H ASN A 77 94.189 3.153 2.443 1.00 0.00 H new ATOM 0 HA ASN A 77 96.336 1.302 2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 77 96.528 3.725 2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 77 95.748 3.426 4.395 1.00 0.00 H new ATOM 0 HD21 ASN A 77 99.599 1.937 3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 77 98.556 2.205 2.428 1.00 0.00 H new ATOM 1097 N LYS A 78 94.363 0.977 4.915 1.00 0.00 N ATOM 1098 CA LYS A 78 93.992 0.014 5.989 1.00 0.00 C ATOM 1099 C LYS A 78 93.599 -1.320 5.345 1.00 0.00 C ATOM 1100 O LYS A 78 94.050 -2.377 5.742 1.00 0.00 O ATOM 1101 CB LYS A 78 92.791 0.572 6.756 1.00 0.00 C ATOM 1102 CG LYS A 78 92.428 -0.356 7.915 1.00 0.00 C ATOM 1103 CD LYS A 78 91.057 0.044 8.454 1.00 0.00 C ATOM 1104 CE LYS A 78 90.716 -0.806 9.679 1.00 0.00 C ATOM 1105 NZ LYS A 78 91.242 -2.187 9.486 1.00 0.00 N ATOM 0 H LYS A 78 93.768 1.803 4.850 1.00 0.00 H new ATOM 0 HA LYS A 78 94.832 -0.135 6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.023 1.567 7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 78 91.939 0.678 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 78 92.413 -1.393 7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 78 93.178 -0.287 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 78 91.055 1.101 8.721 1.00 0.00 H new ATOM 0 HD3 LYS A 78 90.299 -0.092 7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 78 91.149 -0.362 10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 78 89.636 -0.834 9.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 90.708 -2.849 10.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 91.138 -2.462 8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 92.248 -2.215 9.750 1.00 0.00 H new ATOM 1119 N THR A 79 92.740 -1.270 4.365 1.00 0.00 N ATOM 1120 CA THR A 79 92.285 -2.518 3.693 1.00 0.00 C ATOM 1121 C THR A 79 93.449 -3.152 2.914 1.00 0.00 C ATOM 1122 O THR A 79 93.635 -4.345 2.928 1.00 0.00 O ATOM 1123 CB THR A 79 91.104 -2.158 2.767 1.00 0.00 C ATOM 1124 OG1 THR A 79 89.888 -2.358 3.472 1.00 0.00 O ATOM 1125 CG2 THR A 79 91.097 -3.019 1.492 1.00 0.00 C ATOM 0 H THR A 79 92.331 -0.411 3.998 1.00 0.00 H new ATOM 0 HA THR A 79 91.953 -3.254 4.425 1.00 0.00 H new ATOM 0 HB THR A 79 91.211 -1.115 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 79 89.134 -2.286 2.850 1.00 0.00 H new ATOM 0 HG21 THR A 79 90.251 -2.735 0.866 1.00 0.00 H new ATOM 0 HG22 THR A 79 92.024 -2.861 0.941 1.00 0.00 H new ATOM 0 HG23 THR A 79 91.011 -4.071 1.764 1.00 0.00 H new ATOM 1133 N ASN A 80 94.226 -2.371 2.234 1.00 0.00 N ATOM 1134 CA ASN A 80 95.363 -2.947 1.459 1.00 0.00 C ATOM 1135 C ASN A 80 96.348 -3.668 2.387 1.00 0.00 C ATOM 1136 O ASN A 80 96.959 -4.647 2.008 1.00 0.00 O ATOM 1137 CB ASN A 80 96.096 -1.827 0.721 1.00 0.00 C ATOM 1138 CG ASN A 80 97.181 -2.435 -0.168 1.00 0.00 C ATOM 1139 OD1 ASN A 80 96.932 -3.381 -0.889 1.00 0.00 O ATOM 1140 ND2 ASN A 80 98.382 -1.930 -0.148 1.00 0.00 N ATOM 0 H ASN A 80 94.129 -1.357 2.177 1.00 0.00 H new ATOM 0 HA ASN A 80 94.963 -3.668 0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 80 95.393 -1.253 0.117 1.00 0.00 H new ATOM 0 HB3 ASN A 80 96.541 -1.135 1.436 1.00 0.00 H new ATOM 0 HD21 ASN A 80 99.113 -2.329 -0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 80 98.591 -1.136 0.457 1.00 0.00 H new ATOM 1147 N LYS A 81 96.532 -3.187 3.582 1.00 0.00 N ATOM 1148 CA LYS A 81 97.506 -3.845 4.500 1.00 0.00 C ATOM 1149 C LYS A 81 96.984 -5.198 4.984 1.00 0.00 C ATOM 1150 O LYS A 81 97.729 -6.156 5.067 1.00 0.00 O ATOM 1151 CB LYS A 81 97.754 -2.959 5.727 1.00 0.00 C ATOM 1152 CG LYS A 81 98.928 -3.523 6.569 1.00 0.00 C ATOM 1153 CD LYS A 81 98.682 -3.263 8.059 1.00 0.00 C ATOM 1154 CE LYS A 81 99.950 -3.588 8.852 1.00 0.00 C ATOM 1155 NZ LYS A 81 99.672 -3.451 10.310 1.00 0.00 N ATOM 0 H LYS A 81 96.054 -2.371 3.964 1.00 0.00 H new ATOM 0 HA LYS A 81 98.431 -3.994 3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 81 97.981 -1.941 5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 81 96.852 -2.909 6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 81 99.032 -4.593 6.391 1.00 0.00 H new ATOM 0 HG3 LYS A 81 99.864 -3.057 6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 81 98.400 -2.222 8.215 1.00 0.00 H new ATOM 0 HD3 LYS A 81 97.852 -3.875 8.413 1.00 0.00 H new ATOM 0 HE2 LYS A 81 100.282 -4.602 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 81 100.757 -2.916 8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 100.533 -3.672 10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 99.374 -2.476 10.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 98.914 -4.109 10.582 1.00 0.00 H new ATOM 1169 N VAL A 82 95.728 -5.276 5.351 1.00 0.00 N ATOM 1170 CA VAL A 82 95.174 -6.561 5.889 1.00 0.00 C ATOM 1171 C VAL A 82 94.083 -7.124 4.969 1.00 0.00 C ATOM 1172 O VAL A 82 93.885 -8.320 4.904 1.00 0.00 O ATOM 1173 CB VAL A 82 94.622 -6.283 7.289 1.00 0.00 C ATOM 1174 CG1 VAL A 82 93.347 -5.438 7.212 1.00 0.00 C ATOM 1175 CG2 VAL A 82 94.328 -7.605 7.985 1.00 0.00 C ATOM 0 H VAL A 82 95.061 -4.506 5.302 1.00 0.00 H new ATOM 0 HA VAL A 82 95.961 -7.314 5.938 1.00 0.00 H new ATOM 0 HB VAL A 82 95.366 -5.725 7.858 1.00 0.00 H new ATOM 0 HG11 VAL A 82 92.972 -5.253 8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 82 93.569 -4.488 6.727 1.00 0.00 H new ATOM 0 HG13 VAL A 82 92.591 -5.972 6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 82 93.935 -7.411 8.983 1.00 0.00 H new ATOM 0 HG22 VAL A 82 93.592 -8.165 7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 82 95.246 -8.187 8.064 1.00 0.00 H new ATOM 1185 N GLY A 83 93.390 -6.294 4.239 1.00 0.00 N ATOM 1186 CA GLY A 83 92.344 -6.813 3.316 1.00 0.00 C ATOM 1187 C GLY A 83 91.028 -7.013 4.063 1.00 0.00 C ATOM 1188 O GLY A 83 90.976 -7.019 5.278 1.00 0.00 O ATOM 0 H GLY A 83 93.503 -5.280 4.242 1.00 0.00 H new ATOM 0 HA2 GLY A 83 92.199 -6.115 2.491 1.00 0.00 H new ATOM 0 HA3 GLY A 83 92.670 -7.758 2.881 1.00 0.00 H new ATOM 1192 N VAL A 84 89.971 -7.190 3.324 1.00 0.00 N ATOM 1193 CA VAL A 84 88.621 -7.414 3.934 1.00 0.00 C ATOM 1194 C VAL A 84 88.200 -8.859 3.655 1.00 0.00 C ATOM 1195 O VAL A 84 88.180 -9.301 2.524 1.00 0.00 O ATOM 1196 CB VAL A 84 87.609 -6.461 3.294 1.00 0.00 C ATOM 1197 CG1 VAL A 84 86.220 -6.672 3.915 1.00 0.00 C ATOM 1198 CG2 VAL A 84 88.060 -5.018 3.529 1.00 0.00 C ATOM 0 H VAL A 84 89.980 -7.190 2.304 1.00 0.00 H new ATOM 0 HA VAL A 84 88.659 -7.231 5.008 1.00 0.00 H new ATOM 0 HB VAL A 84 87.552 -6.662 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.507 -5.989 3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 84 85.899 -7.700 3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.267 -6.477 4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 84 87.343 -4.334 3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 84 88.118 -4.825 4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.041 -4.866 3.079 1.00 0.00 H new ATOM 1208 N GLN A 85 87.877 -9.603 4.676 1.00 0.00 N ATOM 1209 CA GLN A 85 87.476 -11.024 4.465 1.00 0.00 C ATOM 1210 C GLN A 85 86.003 -11.125 4.039 1.00 0.00 C ATOM 1211 O GLN A 85 85.703 -11.583 2.953 1.00 0.00 O ATOM 1212 CB GLN A 85 87.696 -11.795 5.766 1.00 0.00 C ATOM 1213 CG GLN A 85 89.201 -11.930 6.010 1.00 0.00 C ATOM 1214 CD GLN A 85 89.451 -12.472 7.416 1.00 0.00 C ATOM 1215 OE1 GLN A 85 88.549 -12.534 8.228 1.00 0.00 O ATOM 1216 NE2 GLN A 85 90.651 -12.864 7.742 1.00 0.00 N ATOM 0 H GLN A 85 87.873 -9.290 5.647 1.00 0.00 H new ATOM 0 HA GLN A 85 88.084 -11.450 3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 85 87.224 -11.273 6.598 1.00 0.00 H new ATOM 0 HB3 GLN A 85 87.234 -12.780 5.704 1.00 0.00 H new ATOM 0 HG2 GLN A 85 89.640 -12.598 5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 85 89.686 -10.961 5.892 1.00 0.00 H new ATOM 0 HE21 GLN A 85 91.408 -12.812 7.060 1.00 0.00 H new ATOM 0 HE22 GLN A 85 90.833 -13.223 8.679 1.00 0.00 H new ATOM 1225 N LYS A 86 85.081 -10.732 4.890 1.00 0.00 N ATOM 1226 CA LYS A 86 83.616 -10.835 4.545 1.00 0.00 C ATOM 1227 C LYS A 86 82.971 -9.444 4.426 1.00 0.00 C ATOM 1228 O LYS A 86 83.281 -8.538 5.170 1.00 0.00 O ATOM 1229 CB LYS A 86 82.906 -11.621 5.652 1.00 0.00 C ATOM 1230 CG LYS A 86 83.338 -13.088 5.594 1.00 0.00 C ATOM 1231 CD LYS A 86 82.629 -13.879 6.695 1.00 0.00 C ATOM 1232 CE LYS A 86 83.055 -15.349 6.629 1.00 0.00 C ATOM 1233 NZ LYS A 86 82.315 -16.024 5.525 1.00 0.00 N ATOM 0 H LYS A 86 85.277 -10.343 5.812 1.00 0.00 H new ATOM 0 HA LYS A 86 83.519 -11.341 3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.149 -11.198 6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 86 81.825 -11.544 5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 86 83.098 -13.509 4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 86 84.418 -13.164 5.717 1.00 0.00 H new ATOM 0 HD2 LYS A 86 82.875 -13.462 7.672 1.00 0.00 H new ATOM 0 HD3 LYS A 86 81.549 -13.798 6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 86 84.129 -15.422 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 86 82.847 -15.843 7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 82.523 -17.043 5.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 81.293 -15.877 5.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 82.612 -15.623 4.612 1.00 0.00 H new ATOM 1247 N TYR A 87 82.054 -9.287 3.492 1.00 0.00 N ATOM 1248 CA TYR A 87 81.343 -7.974 3.305 1.00 0.00 C ATOM 1249 C TYR A 87 79.839 -8.203 3.496 1.00 0.00 C ATOM 1250 O TYR A 87 79.289 -9.158 2.982 1.00 0.00 O ATOM 1251 CB TYR A 87 81.611 -7.450 1.891 1.00 0.00 C ATOM 1252 CG TYR A 87 80.964 -6.095 1.715 1.00 0.00 C ATOM 1253 CD1 TYR A 87 81.638 -4.936 2.123 1.00 0.00 C ATOM 1254 CD2 TYR A 87 79.691 -5.999 1.145 1.00 0.00 C ATOM 1255 CE1 TYR A 87 81.037 -3.682 1.958 1.00 0.00 C ATOM 1256 CE2 TYR A 87 79.091 -4.746 0.979 1.00 0.00 C ATOM 1257 CZ TYR A 87 79.762 -3.586 1.387 1.00 0.00 C ATOM 1258 OH TYR A 87 79.166 -2.351 1.228 1.00 0.00 O ATOM 0 H TYR A 87 81.766 -10.021 2.845 1.00 0.00 H new ATOM 0 HA TYR A 87 81.701 -7.243 4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 87 82.685 -7.376 1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 87 81.217 -8.150 1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 87 82.621 -5.010 2.565 1.00 0.00 H new ATOM 0 HD2 TYR A 87 79.171 -6.892 0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 87 81.557 -2.789 2.271 1.00 0.00 H new ATOM 0 HE2 TYR A 87 78.109 -4.673 0.536 1.00 0.00 H new ATOM 0 HH TYR A 87 78.547 -2.382 0.469 1.00 0.00 H new ATOM 1268 N ARG A 88 79.165 -7.354 4.241 1.00 0.00 N ATOM 1269 CA ARG A 88 77.693 -7.555 4.473 1.00 0.00 C ATOM 1270 C ARG A 88 76.932 -6.230 4.345 1.00 0.00 C ATOM 1271 O ARG A 88 77.274 -5.241 4.963 1.00 0.00 O ATOM 1272 CB ARG A 88 77.497 -8.111 5.884 1.00 0.00 C ATOM 1273 CG ARG A 88 78.031 -9.543 5.942 1.00 0.00 C ATOM 1274 CD ARG A 88 77.846 -10.112 7.351 1.00 0.00 C ATOM 1275 NE ARG A 88 76.401 -10.116 7.707 1.00 0.00 N ATOM 1276 CZ ARG A 88 76.027 -10.525 8.887 1.00 0.00 C ATOM 1277 NH1 ARG A 88 76.919 -10.947 9.744 1.00 0.00 N ATOM 1278 NH2 ARG A 88 74.761 -10.516 9.209 1.00 0.00 N ATOM 0 H ARG A 88 79.567 -6.535 4.696 1.00 0.00 H new ATOM 0 HA ARG A 88 77.306 -8.247 3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 88 78.019 -7.486 6.609 1.00 0.00 H new ATOM 0 HB3 ARG A 88 76.440 -8.094 6.151 1.00 0.00 H new ATOM 0 HG2 ARG A 88 77.506 -10.166 5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 88 79.086 -9.558 5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 88 78.245 -11.125 7.399 1.00 0.00 H new ATOM 0 HD3 ARG A 88 78.406 -9.515 8.071 1.00 0.00 H new ATOM 0 HE ARG A 88 75.706 -9.800 7.031 1.00 0.00 H new ATOM 0 HH11 ARG A 88 77.907 -10.956 9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 88 76.627 -11.267 10.668 1.00 0.00 H new ATOM 0 HH21 ARG A 88 74.066 -10.189 8.537 1.00 0.00 H new ATOM 0 HH22 ARG A 88 74.467 -10.836 10.132 1.00 0.00 H new ATOM 1292 N ALA A 89 75.885 -6.221 3.551 1.00 0.00 N ATOM 1293 CA ALA A 89 75.058 -4.980 3.372 1.00 0.00 C ATOM 1294 C ALA A 89 73.590 -5.286 3.698 1.00 0.00 C ATOM 1295 O ALA A 89 73.035 -6.259 3.231 1.00 0.00 O ATOM 1296 CB ALA A 89 75.156 -4.505 1.923 1.00 0.00 C ATOM 0 H ALA A 89 75.565 -7.027 3.014 1.00 0.00 H new ATOM 0 HA ALA A 89 75.429 -4.204 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.556 -3.604 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.196 -4.285 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 89 74.786 -5.286 1.258 1.00 0.00 H new ATOM 1302 N LEU A 90 72.954 -4.449 4.486 1.00 0.00 N ATOM 1303 CA LEU A 90 71.509 -4.670 4.836 1.00 0.00 C ATOM 1304 C LEU A 90 70.666 -3.612 4.119 1.00 0.00 C ATOM 1305 O LEU A 90 70.964 -2.439 4.183 1.00 0.00 O ATOM 1306 CB LEU A 90 71.314 -4.519 6.351 1.00 0.00 C ATOM 1307 CG LEU A 90 71.869 -5.752 7.086 1.00 0.00 C ATOM 1308 CD1 LEU A 90 73.404 -5.724 7.098 1.00 0.00 C ATOM 1309 CD2 LEU A 90 71.340 -5.759 8.524 1.00 0.00 C ATOM 0 H LEU A 90 73.374 -3.619 4.904 1.00 0.00 H new ATOM 0 HA LEU A 90 71.206 -5.671 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 90 71.820 -3.620 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 90 70.255 -4.398 6.578 1.00 0.00 H new ATOM 0 HG LEU A 90 71.544 -6.654 6.567 1.00 0.00 H new ATOM 0 HD11 LEU A 90 73.780 -6.603 7.622 1.00 0.00 H new ATOM 0 HD12 LEU A 90 73.776 -5.725 6.073 1.00 0.00 H new ATOM 0 HD13 LEU A 90 73.748 -4.824 7.607 1.00 0.00 H new ATOM 0 HD21 LEU A 90 71.729 -6.630 9.051 1.00 0.00 H new ATOM 0 HD22 LEU A 90 71.663 -4.852 9.035 1.00 0.00 H new ATOM 0 HD23 LEU A 90 70.251 -5.800 8.511 1.00 0.00 H new ATOM 1321 N THR A 91 69.627 -4.016 3.422 1.00 0.00 N ATOM 1322 CA THR A 91 68.772 -3.024 2.677 1.00 0.00 C ATOM 1323 C THR A 91 67.302 -3.147 3.108 1.00 0.00 C ATOM 1324 O THR A 91 66.691 -4.191 2.996 1.00 0.00 O ATOM 1325 CB THR A 91 68.895 -3.302 1.171 1.00 0.00 C ATOM 1326 OG1 THR A 91 68.871 -4.705 0.949 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.212 -2.724 0.637 1.00 0.00 C ATOM 0 H THR A 91 69.332 -4.989 3.335 1.00 0.00 H new ATOM 0 HA THR A 91 69.112 -2.013 2.903 1.00 0.00 H new ATOM 0 HB THR A 91 68.061 -2.831 0.650 1.00 0.00 H new ATOM 0 HG1 THR A 91 68.164 -5.110 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.291 -2.926 -0.431 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.232 -1.647 0.806 1.00 0.00 H new ATOM 0 HG23 THR A 91 71.050 -3.188 1.157 1.00 0.00 H new ATOM 1335 N GLU A 92 66.743 -2.069 3.607 1.00 0.00 N ATOM 1336 CA GLU A 92 65.311 -2.078 4.063 1.00 0.00 C ATOM 1337 C GLU A 92 64.578 -0.837 3.531 1.00 0.00 C ATOM 1338 O GLU A 92 65.167 0.206 3.341 1.00 0.00 O ATOM 1339 CB GLU A 92 65.278 -2.077 5.597 1.00 0.00 C ATOM 1340 CG GLU A 92 63.835 -2.191 6.098 1.00 0.00 C ATOM 1341 CD GLU A 92 63.250 -3.540 5.677 1.00 0.00 C ATOM 1342 OE1 GLU A 92 64.026 -4.429 5.368 1.00 0.00 O ATOM 1343 OE2 GLU A 92 62.036 -3.660 5.668 1.00 0.00 O ATOM 0 H GLU A 92 67.220 -1.175 3.720 1.00 0.00 H new ATOM 0 HA GLU A 92 64.814 -2.969 3.680 1.00 0.00 H new ATOM 0 HB2 GLU A 92 65.870 -2.908 5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 92 65.731 -1.161 5.977 1.00 0.00 H new ATOM 0 HG2 GLU A 92 63.808 -2.094 7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 92 63.233 -1.379 5.690 1.00 0.00 H new ATOM 1350 N TRP A 93 63.288 -0.934 3.312 1.00 0.00 N ATOM 1351 CA TRP A 93 62.522 0.252 2.821 1.00 0.00 C ATOM 1352 C TRP A 93 62.505 1.319 3.924 1.00 0.00 C ATOM 1353 O TRP A 93 62.403 1.012 5.095 1.00 0.00 O ATOM 1354 CB TRP A 93 61.076 -0.151 2.477 1.00 0.00 C ATOM 1355 CG TRP A 93 61.025 -0.815 1.132 1.00 0.00 C ATOM 1356 CD1 TRP A 93 60.769 -2.126 0.918 1.00 0.00 C ATOM 1357 CD2 TRP A 93 61.221 -0.218 -0.185 1.00 0.00 C ATOM 1358 NE1 TRP A 93 60.786 -2.371 -0.444 1.00 0.00 N ATOM 1359 CE2 TRP A 93 61.063 -1.227 -1.166 1.00 0.00 C ATOM 1360 CE3 TRP A 93 61.515 1.086 -0.619 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 61.190 -0.949 -2.530 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 61.646 1.369 -1.989 1.00 0.00 C ATOM 1363 CH2 TRP A 93 61.483 0.353 -2.941 1.00 0.00 C ATOM 0 H TRP A 93 62.736 -1.780 3.452 1.00 0.00 H new ATOM 0 HA TRP A 93 62.999 0.644 1.923 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.689 -0.828 3.239 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.435 0.731 2.479 1.00 0.00 H new ATOM 0 HD1 TRP A 93 60.582 -2.862 1.686 1.00 0.00 H new ATOM 0 HE1 TRP A 93 60.615 -3.285 -0.863 1.00 0.00 H new ATOM 0 HE3 TRP A 93 61.641 1.876 0.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 61.063 -1.735 -3.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 61.873 2.375 -2.310 1.00 0.00 H new ATOM 0 HH2 TRP A 93 61.584 0.577 -3.993 1.00 0.00 H new ATOM 1374 N VAL A 94 62.619 2.572 3.551 1.00 0.00 N ATOM 1375 CA VAL A 94 62.631 3.688 4.557 1.00 0.00 C ATOM 1376 C VAL A 94 61.455 4.634 4.303 1.00 0.00 C ATOM 1377 O VAL A 94 61.242 5.084 3.197 1.00 0.00 O ATOM 1378 CB VAL A 94 63.933 4.482 4.422 1.00 0.00 C ATOM 1379 CG1 VAL A 94 63.976 5.600 5.465 1.00 0.00 C ATOM 1380 CG2 VAL A 94 65.124 3.558 4.638 1.00 0.00 C ATOM 0 H VAL A 94 62.705 2.875 2.581 1.00 0.00 H new ATOM 0 HA VAL A 94 62.551 3.262 5.557 1.00 0.00 H new ATOM 0 HB VAL A 94 63.977 4.914 3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.906 6.159 5.361 1.00 0.00 H new ATOM 0 HG12 VAL A 94 63.130 6.271 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 94 63.922 5.168 6.464 1.00 0.00 H new ATOM 0 HG21 VAL A 94 66.048 4.127 4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 94 65.070 3.121 5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 94 65.108 2.763 3.893 1.00 0.00 H new ATOM 1390 N GLY A 95 60.698 4.947 5.326 1.00 0.00 N ATOM 1391 CA GLY A 95 59.533 5.880 5.167 1.00 0.00 C ATOM 1392 C GLY A 95 58.235 5.131 5.461 1.00 0.00 C ATOM 1393 O GLY A 95 57.158 5.692 5.407 1.00 0.00 O ATOM 0 H GLY A 95 60.837 4.594 6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 95 59.637 6.728 5.844 1.00 0.00 H new ATOM 0 HA3 GLY A 95 59.512 6.282 4.154 1.00 0.00 H new ATOM 1397 N SER A 96 58.325 3.868 5.776 1.00 0.00 N ATOM 1398 CA SER A 96 57.091 3.087 6.080 1.00 0.00 C ATOM 1399 C SER A 96 56.734 3.279 7.553 1.00 0.00 C ATOM 1400 O SER A 96 57.491 2.928 8.436 1.00 0.00 O ATOM 1401 CB SER A 96 57.344 1.605 5.804 1.00 0.00 C ATOM 1402 OG SER A 96 58.175 1.072 6.827 1.00 0.00 O ATOM 0 H SER A 96 59.198 3.343 5.836 1.00 0.00 H new ATOM 0 HA SER A 96 56.270 3.434 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 96 56.399 1.063 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 96 57.820 1.480 4.831 1.00 0.00 H new ATOM 0 HG SER A 96 58.376 1.772 7.483 1.00 0.00 H new ATOM 1408 N ARG A 97 55.589 3.841 7.829 1.00 0.00 N ATOM 1409 CA ARG A 97 55.190 4.063 9.247 1.00 0.00 C ATOM 1410 C ARG A 97 54.468 2.822 9.774 1.00 0.00 C ATOM 1411 O ARG A 97 53.686 2.204 9.080 1.00 0.00 O ATOM 1412 CB ARG A 97 54.261 5.274 9.322 1.00 0.00 C ATOM 1413 CG ARG A 97 55.064 6.543 9.024 1.00 0.00 C ATOM 1414 CD ARG A 97 54.141 7.757 9.095 1.00 0.00 C ATOM 1415 NE ARG A 97 53.546 7.840 10.459 1.00 0.00 N ATOM 1416 CZ ARG A 97 52.694 8.786 10.744 1.00 0.00 C ATOM 1417 NH1 ARG A 97 52.385 9.678 9.844 1.00 0.00 N ATOM 1418 NH2 ARG A 97 52.160 8.847 11.935 1.00 0.00 N ATOM 0 H ARG A 97 54.913 4.156 7.133 1.00 0.00 H new ATOM 0 HA ARG A 97 56.076 4.246 9.856 1.00 0.00 H new ATOM 0 HB2 ARG A 97 53.447 5.168 8.605 1.00 0.00 H new ATOM 0 HB3 ARG A 97 53.808 5.340 10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 97 55.877 6.649 9.742 1.00 0.00 H new ATOM 0 HG3 ARG A 97 55.518 6.475 8.035 1.00 0.00 H new ATOM 0 HD2 ARG A 97 54.699 8.667 8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 97 53.353 7.675 8.346 1.00 0.00 H new ATOM 0 HE ARG A 97 53.805 7.156 11.170 1.00 0.00 H new ATOM 0 HH11 ARG A 97 52.809 9.636 8.917 1.00 0.00 H new ATOM 0 HH12 ARG A 97 51.719 10.418 10.067 1.00 0.00 H new ATOM 0 HH21 ARG A 97 52.409 8.155 12.642 1.00 0.00 H new ATOM 0 HH22 ARG A 97 51.494 9.587 12.158 1.00 0.00 H new ATOM 1432 N SER A 98 54.732 2.447 10.996 1.00 0.00 N ATOM 1433 CA SER A 98 54.066 1.242 11.564 1.00 0.00 C ATOM 1434 C SER A 98 54.149 1.283 13.091 1.00 0.00 C ATOM 1435 O SER A 98 55.253 1.245 13.608 1.00 0.00 O ATOM 1436 CB SER A 98 54.769 -0.014 11.048 1.00 0.00 C ATOM 1437 OG SER A 98 54.047 -1.163 11.467 1.00 0.00 O ATOM 0 H SER A 98 55.379 2.923 11.624 1.00 0.00 H new ATOM 0 HA SER A 98 53.019 1.226 11.260 1.00 0.00 H new ATOM 0 HB2 SER A 98 54.833 0.012 9.960 1.00 0.00 H new ATOM 0 HB3 SER A 98 55.790 -0.054 11.427 1.00 0.00 H new ATOM 0 HG SER A 98 54.495 -1.969 11.136 1.00 0.00 H new TER 1443 SER A 98