USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=33 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 65 THR OG1 : rot 180:sc= -0.45 USER MOD Set 1.2: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 15 CYS SG : rot 64:sc= -4.48! USER MOD Set 2.2: A 25 TYR OH : rot -73:sc= 1.11 USER MOD Set 2.3: A 32 CYS SG : rot -86:sc= -5.61! USER MOD Set 3.1: A 18 GLN : amide:sc= 1.08 K(o=3.4,f=1.8) USER MOD Set 3.2: A 23 TYR OH : rot 134:sc= 1.24 USER MOD Set 3.3: A 87 TYR OH : rot -169:sc= 1.06 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -68:sc= 0.853 USER MOD Single : A 6 ASN : amide:sc= -0.0349 K(o=-0.035,f=-1.7!) USER MOD Single : A 9 ASN : amide:sc= -0.0786 K(o=-0.079,f=-0.63) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc=-0.00765 USER MOD Single : A 22 GLN : amide:sc= -0.0371 K(o=-0.037,f=-1.9!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.671 K(o=-0.67,f=-5.1!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0297 USER MOD Single : A 33 MET CE :methyl -167:sc= 0 (180deg=-0.2) USER MOD Single : A 34 GLN : amide:sc= -0.434 K(o=-0.43,f=-0.95) USER MOD Single : A 37 ASN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.408) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.039 USER MOD Single : A 51 TYR OH : rot 180:sc= 0.0919 USER MOD Single : A 52 TYR OH : rot -52:sc= 0.00355 USER MOD Single : A 53 ASN : amide:sc= -0.0266 K(o=-0.027,f=-1.5!) USER MOD Single : A 56 THR OG1 : rot 6:sc= -2.53! USER MOD Single : A 57 THR OG1 : rot 18:sc= 0.561! USER MOD Single : A 58 SER OG : rot 180:sc= -0.471 USER MOD Single : A 59 ASN : amide:sc= -1.23 K(o=-1.2,f=-1.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -45:sc= 0.0344 USER MOD Single : A 71 ASN : amide:sc= -0.517 K(o=-0.52,f=-3!) USER MOD Single : A 72 THR OG1 : rot 90:sc= 1.1 USER MOD Single : A 73 ASN :FLIP amide:sc= -2.37 F(o=-6.8!,f=-2.4) USER MOD Single : A 74 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.23) USER MOD Single : A 77 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.8!) USER MOD Single : A 78 LYS NZ :NH3+ -123:sc= 0.28 (180deg=-0.327) USER MOD Single : A 79 THR OG1 : rot 170:sc= -2.05 USER MOD Single : A 80 ASN : amide:sc= -0.522 K(o=-0.52,f=-2!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc=-0.00928 K(o=-0.0093,f=-0.95) USER MOD Single : A 86 LYS NZ :NH3+ -155:sc= -0.211 (180deg=-1) USER MOD Single : A 91 THR OG1 : rot 41:sc= 0.153 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.0181 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 50.271 -5.277 -11.158 1.00 0.00 N ATOM 2 CA GLY A 1 49.409 -4.042 -11.413 1.00 0.00 C ATOM 3 C GLY A 1 49.320 -2.979 -10.371 1.00 0.00 C ATOM 4 O GLY A 1 49.790 -3.143 -9.264 1.00 0.00 O ATOM 0 H1 GLY A 1 50.220 -5.912 -11.980 1.00 0.00 H new ATOM 0 H2 GLY A 1 51.258 -4.986 -11.005 1.00 0.00 H new ATOM 0 H3 GLY A 1 49.923 -5.775 -10.314 1.00 0.00 H new ATOM 0 HA2 GLY A 1 49.773 -3.573 -12.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 48.395 -4.388 -11.614 1.00 0.00 H new ATOM 10 N GLY A 2 48.718 -1.866 -10.691 1.00 0.00 N ATOM 11 CA GLY A 2 48.598 -0.772 -9.687 1.00 0.00 C ATOM 12 C GLY A 2 47.631 -1.203 -8.583 1.00 0.00 C ATOM 13 O GLY A 2 46.896 -2.159 -8.728 1.00 0.00 O ATOM 0 H GLY A 2 48.305 -1.668 -11.602 1.00 0.00 H new ATOM 0 HA2 GLY A 2 49.575 -0.544 -9.262 1.00 0.00 H new ATOM 0 HA3 GLY A 2 48.239 0.139 -10.166 1.00 0.00 H new ATOM 17 N SER A 3 47.628 -0.505 -7.479 1.00 0.00 N ATOM 18 CA SER A 3 46.713 -0.871 -6.358 1.00 0.00 C ATOM 19 C SER A 3 47.244 -2.121 -5.657 1.00 0.00 C ATOM 20 O SER A 3 47.016 -2.330 -4.482 1.00 0.00 O ATOM 21 CB SER A 3 45.306 -1.142 -6.905 1.00 0.00 C ATOM 22 OG SER A 3 45.161 -2.529 -7.178 1.00 0.00 O ATOM 0 H SER A 3 48.222 0.306 -7.304 1.00 0.00 H new ATOM 0 HA SER A 3 46.666 -0.048 -5.645 1.00 0.00 H new ATOM 0 HB2 SER A 3 44.556 -0.823 -6.182 1.00 0.00 H new ATOM 0 HB3 SER A 3 45.140 -0.563 -7.813 1.00 0.00 H new ATOM 0 HG SER A 3 45.732 -2.775 -7.935 1.00 0.00 H new ATOM 28 N GLY A 4 47.955 -2.958 -6.369 1.00 0.00 N ATOM 29 CA GLY A 4 48.508 -4.199 -5.746 1.00 0.00 C ATOM 30 C GLY A 4 49.949 -3.950 -5.296 1.00 0.00 C ATOM 31 O GLY A 4 50.593 -4.816 -4.737 1.00 0.00 O ATOM 0 H GLY A 4 48.177 -2.835 -7.357 1.00 0.00 H new ATOM 0 HA2 GLY A 4 47.896 -4.494 -4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 4 48.477 -5.022 -6.460 1.00 0.00 H new ATOM 35 N TRP A 5 50.461 -2.775 -5.539 1.00 0.00 N ATOM 36 CA TRP A 5 51.863 -2.471 -5.128 1.00 0.00 C ATOM 37 C TRP A 5 51.914 -2.157 -3.642 1.00 0.00 C ATOM 38 O TRP A 5 51.313 -1.209 -3.177 1.00 0.00 O ATOM 39 CB TRP A 5 52.379 -1.269 -5.924 1.00 0.00 C ATOM 40 CG TRP A 5 53.752 -0.909 -5.455 1.00 0.00 C ATOM 41 CD1 TRP A 5 54.901 -1.449 -5.923 1.00 0.00 C ATOM 42 CD2 TRP A 5 54.141 0.057 -4.435 1.00 0.00 C ATOM 43 NE1 TRP A 5 55.968 -0.873 -5.258 1.00 0.00 N ATOM 44 CE2 TRP A 5 55.550 0.061 -4.331 1.00 0.00 C ATOM 45 CE3 TRP A 5 53.412 0.922 -3.600 1.00 0.00 C ATOM 46 CZ2 TRP A 5 56.215 0.895 -3.430 1.00 0.00 C ATOM 47 CZ3 TRP A 5 54.076 1.763 -2.692 1.00 0.00 C ATOM 48 CH2 TRP A 5 55.475 1.750 -2.608 1.00 0.00 C ATOM 0 H TRP A 5 49.970 -2.012 -6.004 1.00 0.00 H new ATOM 0 HA TRP A 5 52.490 -3.339 -5.329 1.00 0.00 H new ATOM 0 HB2 TRP A 5 52.398 -1.505 -6.988 1.00 0.00 H new ATOM 0 HB3 TRP A 5 51.706 -0.421 -5.798 1.00 0.00 H new ATOM 0 HD1 TRP A 5 54.973 -2.206 -6.690 1.00 0.00 H new ATOM 0 HE1 TRP A 5 56.945 -1.109 -5.431 1.00 0.00 H new ATOM 0 HE3 TRP A 5 52.334 0.940 -3.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 57.293 0.880 -3.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 53.506 2.423 -2.055 1.00 0.00 H new ATOM 0 HH2 TRP A 5 55.981 2.400 -1.909 1.00 0.00 H new ATOM 59 N ASN A 6 52.636 -2.958 -2.895 1.00 0.00 N ATOM 60 CA ASN A 6 52.751 -2.733 -1.422 1.00 0.00 C ATOM 61 C ASN A 6 54.221 -2.728 -1.009 1.00 0.00 C ATOM 62 O ASN A 6 54.556 -2.908 0.145 1.00 0.00 O ATOM 63 CB ASN A 6 52.012 -3.847 -0.677 1.00 0.00 C ATOM 64 CG ASN A 6 50.505 -3.685 -0.883 1.00 0.00 C ATOM 65 OD1 ASN A 6 50.025 -2.593 -1.111 1.00 0.00 O ATOM 66 ND2 ASN A 6 49.733 -4.734 -0.811 1.00 0.00 N ATOM 0 H ASN A 6 53.154 -3.763 -3.247 1.00 0.00 H new ATOM 0 HA ASN A 6 52.307 -1.770 -1.171 1.00 0.00 H new ATOM 0 HB2 ASN A 6 52.337 -4.821 -1.042 1.00 0.00 H new ATOM 0 HB3 ASN A 6 52.251 -3.809 0.386 1.00 0.00 H new ATOM 0 HD21 ASN A 6 48.727 -4.637 -0.946 1.00 0.00 H new ATOM 0 HD22 ASN A 6 50.136 -5.651 -0.620 1.00 0.00 H new ATOM 73 N ALA A 7 55.096 -2.519 -1.943 1.00 0.00 N ATOM 74 CA ALA A 7 56.551 -2.497 -1.616 1.00 0.00 C ATOM 75 C ALA A 7 56.942 -3.811 -0.933 1.00 0.00 C ATOM 76 O ALA A 7 58.070 -3.996 -0.523 1.00 0.00 O ATOM 77 CB ALA A 7 56.841 -1.318 -0.681 1.00 0.00 C ATOM 0 H ALA A 7 54.871 -2.361 -2.925 1.00 0.00 H new ATOM 0 HA ALA A 7 57.132 -2.384 -2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 7 57.904 -1.298 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 7 56.563 -0.386 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 7 56.262 -1.430 0.236 1.00 0.00 H new ATOM 83 N ASP A 8 56.015 -4.725 -0.809 1.00 0.00 N ATOM 84 CA ASP A 8 56.321 -6.034 -0.157 1.00 0.00 C ATOM 85 C ASP A 8 56.834 -7.021 -1.206 1.00 0.00 C ATOM 86 O ASP A 8 57.587 -7.928 -0.909 1.00 0.00 O ATOM 87 CB ASP A 8 55.045 -6.586 0.484 1.00 0.00 C ATOM 88 CG ASP A 8 55.389 -7.795 1.356 1.00 0.00 C ATOM 89 OD1 ASP A 8 56.265 -8.550 0.969 1.00 0.00 O ATOM 90 OD2 ASP A 8 54.766 -7.946 2.393 1.00 0.00 O ATOM 0 H ASP A 8 55.054 -4.621 -1.133 1.00 0.00 H new ATOM 0 HA ASP A 8 57.085 -5.893 0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 8 54.566 -5.815 1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 8 54.333 -6.874 -0.289 1.00 0.00 H new ATOM 95 N ASN A 9 56.420 -6.852 -2.431 1.00 0.00 N ATOM 96 CA ASN A 9 56.862 -7.773 -3.518 1.00 0.00 C ATOM 97 C ASN A 9 58.145 -7.235 -4.155 1.00 0.00 C ATOM 98 O ASN A 9 58.678 -7.813 -5.083 1.00 0.00 O ATOM 99 CB ASN A 9 55.761 -7.835 -4.583 1.00 0.00 C ATOM 100 CG ASN A 9 55.959 -9.073 -5.461 1.00 0.00 C ATOM 101 OD1 ASN A 9 56.177 -10.159 -4.960 1.00 0.00 O ATOM 102 ND2 ASN A 9 55.889 -8.957 -6.757 1.00 0.00 N ATOM 0 H ASN A 9 55.788 -6.109 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 9 57.050 -8.766 -3.109 1.00 0.00 H new ATOM 0 HB2 ASN A 9 54.782 -7.869 -4.105 1.00 0.00 H new ATOM 0 HB3 ASN A 9 55.785 -6.935 -5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 9 56.017 -9.777 -7.350 1.00 0.00 H new ATOM 0 HD22 ASN A 9 55.706 -8.046 -7.178 1.00 0.00 H new ATOM 109 N VAL A 10 58.627 -6.118 -3.677 1.00 0.00 N ATOM 110 CA VAL A 10 59.863 -5.506 -4.259 1.00 0.00 C ATOM 111 C VAL A 10 61.013 -5.605 -3.257 1.00 0.00 C ATOM 112 O VAL A 10 60.881 -5.232 -2.108 1.00 0.00 O ATOM 113 CB VAL A 10 59.594 -4.031 -4.545 1.00 0.00 C ATOM 114 CG1 VAL A 10 60.770 -3.438 -5.314 1.00 0.00 C ATOM 115 CG2 VAL A 10 58.325 -3.875 -5.377 1.00 0.00 C ATOM 0 H VAL A 10 58.216 -5.598 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 10 60.130 -6.033 -5.175 1.00 0.00 H new ATOM 0 HB VAL A 10 59.467 -3.508 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 10 60.577 -2.385 -5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 10 61.678 -3.532 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 10 60.896 -3.973 -6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 10 58.146 -2.818 -5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 10 58.442 -4.405 -6.322 1.00 0.00 H new ATOM 0 HG23 VAL A 10 57.478 -4.291 -4.831 1.00 0.00 H new ATOM 125 N ASP A 11 62.149 -6.090 -3.684 1.00 0.00 N ATOM 126 CA ASP A 11 63.312 -6.196 -2.756 1.00 0.00 C ATOM 127 C ASP A 11 64.110 -4.883 -2.818 1.00 0.00 C ATOM 128 O ASP A 11 64.357 -4.373 -3.893 1.00 0.00 O ATOM 129 CB ASP A 11 64.212 -7.352 -3.204 1.00 0.00 C ATOM 130 CG ASP A 11 63.380 -8.627 -3.327 1.00 0.00 C ATOM 131 OD1 ASP A 11 62.586 -8.882 -2.436 1.00 0.00 O ATOM 132 OD2 ASP A 11 63.550 -9.329 -4.310 1.00 0.00 O ATOM 0 H ASP A 11 62.321 -6.417 -4.635 1.00 0.00 H new ATOM 0 HA ASP A 11 62.964 -6.377 -1.739 1.00 0.00 H new ATOM 0 HB2 ASP A 11 64.677 -7.115 -4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 11 65.018 -7.499 -2.485 1.00 0.00 H new ATOM 137 N PRO A 12 64.518 -4.326 -1.697 1.00 0.00 N ATOM 138 CA PRO A 12 65.295 -3.052 -1.692 1.00 0.00 C ATOM 139 C PRO A 12 66.737 -3.268 -2.169 1.00 0.00 C ATOM 140 O PRO A 12 67.446 -2.334 -2.489 1.00 0.00 O ATOM 141 CB PRO A 12 65.253 -2.610 -0.223 1.00 0.00 C ATOM 142 CG PRO A 12 65.120 -3.880 0.553 1.00 0.00 C ATOM 143 CD PRO A 12 64.297 -4.831 -0.324 1.00 0.00 C ATOM 0 HA PRO A 12 64.881 -2.306 -2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 12 66.158 -2.070 0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 12 64.413 -1.941 -0.035 1.00 0.00 H new ATOM 0 HG2 PRO A 12 66.099 -4.305 0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 12 64.624 -3.703 1.508 1.00 0.00 H new ATOM 0 HD2 PRO A 12 64.632 -5.863 -0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 12 63.241 -4.810 -0.055 1.00 0.00 H new ATOM 151 N SER A 13 67.169 -4.498 -2.228 1.00 0.00 N ATOM 152 CA SER A 13 68.555 -4.784 -2.693 1.00 0.00 C ATOM 153 C SER A 13 68.729 -4.279 -4.129 1.00 0.00 C ATOM 154 O SER A 13 69.756 -3.734 -4.485 1.00 0.00 O ATOM 155 CB SER A 13 68.814 -6.290 -2.642 1.00 0.00 C ATOM 156 OG SER A 13 70.183 -6.540 -2.924 1.00 0.00 O ATOM 0 H SER A 13 66.620 -5.319 -1.973 1.00 0.00 H new ATOM 0 HA SER A 13 69.266 -4.275 -2.043 1.00 0.00 H new ATOM 0 HB2 SER A 13 68.556 -6.682 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 13 68.182 -6.804 -3.366 1.00 0.00 H new ATOM 0 HG SER A 13 70.353 -7.505 -2.891 1.00 0.00 H new ATOM 162 N GLN A 14 67.736 -4.456 -4.963 1.00 0.00 N ATOM 163 CA GLN A 14 67.856 -3.984 -6.375 1.00 0.00 C ATOM 164 C GLN A 14 67.528 -2.491 -6.454 1.00 0.00 C ATOM 165 O GLN A 14 67.789 -1.842 -7.447 1.00 0.00 O ATOM 166 CB GLN A 14 66.884 -4.761 -7.268 1.00 0.00 C ATOM 167 CG GLN A 14 67.357 -6.210 -7.406 1.00 0.00 C ATOM 168 CD GLN A 14 66.384 -6.986 -8.300 1.00 0.00 C ATOM 169 OE1 GLN A 14 65.223 -6.462 -8.590 1.00 0.00 O flip ATOM 170 NE2 GLN A 14 66.686 -8.075 -8.745 1.00 0.00 N flip ATOM 0 H GLN A 14 66.851 -4.905 -4.728 1.00 0.00 H new ATOM 0 HA GLN A 14 68.878 -4.151 -6.717 1.00 0.00 H new ATOM 0 HB2 GLN A 14 65.882 -4.735 -6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 14 66.824 -4.293 -8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 14 68.359 -6.237 -7.833 1.00 0.00 H new ATOM 0 HG3 GLN A 14 67.417 -6.679 -6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 14 67.592 -8.485 -8.519 1.00 0.00 H new ATOM 0 HE22 GLN A 14 66.033 -8.580 -9.345 1.00 0.00 H new ATOM 179 N CYS A 15 66.966 -1.937 -5.418 1.00 0.00 N ATOM 180 CA CYS A 15 66.634 -0.484 -5.447 1.00 0.00 C ATOM 181 C CYS A 15 67.928 0.328 -5.550 1.00 0.00 C ATOM 182 O CYS A 15 67.981 1.336 -6.226 1.00 0.00 O ATOM 183 CB CYS A 15 65.889 -0.098 -4.171 1.00 0.00 C ATOM 184 SG CYS A 15 65.407 1.647 -4.253 1.00 0.00 S ATOM 0 H CYS A 15 66.722 -2.423 -4.555 1.00 0.00 H new ATOM 0 HA CYS A 15 66.000 -0.274 -6.308 1.00 0.00 H new ATOM 0 HB2 CYS A 15 65.005 -0.725 -4.050 1.00 0.00 H new ATOM 0 HB3 CYS A 15 66.523 -0.270 -3.301 1.00 0.00 H new ATOM 0 HG CYS A 15 64.560 1.818 -5.225 1.00 0.00 H new ATOM 189 N ILE A 16 68.971 -0.108 -4.880 1.00 0.00 N ATOM 190 CA ILE A 16 70.278 0.627 -4.924 1.00 0.00 C ATOM 191 C ILE A 16 71.346 -0.288 -5.527 1.00 0.00 C ATOM 192 O ILE A 16 71.292 -1.494 -5.387 1.00 0.00 O ATOM 193 CB ILE A 16 70.687 1.024 -3.494 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.743 -0.234 -2.575 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.666 2.032 -2.950 1.00 0.00 C ATOM 196 CD1 ILE A 16 72.196 -0.676 -2.360 1.00 0.00 C ATOM 0 H ILE A 16 68.972 -0.947 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 16 70.178 1.525 -5.534 1.00 0.00 H new ATOM 0 HB ILE A 16 71.679 1.476 -3.511 1.00 0.00 H new ATOM 0 HG12 ILE A 16 70.278 -0.011 -1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 16 70.172 -1.046 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 16 69.945 2.321 -1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.651 2.915 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.676 1.576 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 16 72.217 -1.555 -1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.648 -0.919 -3.321 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.756 0.132 -1.889 1.00 0.00 H new ATOM 208 N LYS A 17 72.309 0.280 -6.214 1.00 0.00 N ATOM 209 CA LYS A 17 73.386 -0.545 -6.857 1.00 0.00 C ATOM 210 C LYS A 17 74.759 0.035 -6.497 1.00 0.00 C ATOM 211 O LYS A 17 74.885 1.205 -6.182 1.00 0.00 O ATOM 212 CB LYS A 17 73.190 -0.520 -8.378 1.00 0.00 C ATOM 213 CG LYS A 17 73.321 0.920 -8.890 1.00 0.00 C ATOM 214 CD LYS A 17 72.816 1.021 -10.337 1.00 0.00 C ATOM 215 CE LYS A 17 73.860 0.442 -11.299 1.00 0.00 C ATOM 216 NZ LYS A 17 73.430 0.693 -12.705 1.00 0.00 N ATOM 0 H LYS A 17 72.397 1.286 -6.359 1.00 0.00 H new ATOM 0 HA LYS A 17 73.331 -1.573 -6.499 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.931 -1.157 -8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 17 72.209 -0.920 -8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.750 1.593 -8.251 1.00 0.00 H new ATOM 0 HG3 LYS A 17 74.362 1.238 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 17 71.875 0.481 -10.441 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.615 2.062 -10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 17 74.832 0.900 -11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 17 73.975 -0.628 -11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 74.137 0.301 -13.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 72.511 0.236 -12.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 73.342 1.717 -12.864 1.00 0.00 H new ATOM 230 N GLN A 18 75.789 -0.782 -6.525 1.00 0.00 N ATOM 231 CA GLN A 18 77.159 -0.291 -6.164 1.00 0.00 C ATOM 232 C GLN A 18 77.967 0.023 -7.427 1.00 0.00 C ATOM 233 O GLN A 18 78.262 -0.852 -8.218 1.00 0.00 O ATOM 234 CB GLN A 18 77.898 -1.378 -5.377 1.00 0.00 C ATOM 235 CG GLN A 18 77.273 -1.536 -3.990 1.00 0.00 C ATOM 236 CD GLN A 18 77.987 -2.662 -3.238 1.00 0.00 C ATOM 237 OE1 GLN A 18 78.319 -3.678 -3.816 1.00 0.00 O ATOM 238 NE2 GLN A 18 78.242 -2.523 -1.965 1.00 0.00 N ATOM 0 H GLN A 18 75.739 -1.768 -6.782 1.00 0.00 H new ATOM 0 HA GLN A 18 77.054 0.613 -5.565 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.851 -2.324 -5.916 1.00 0.00 H new ATOM 0 HB3 GLN A 18 78.952 -1.117 -5.282 1.00 0.00 H new ATOM 0 HG2 GLN A 18 77.355 -0.602 -3.433 1.00 0.00 H new ATOM 0 HG3 GLN A 18 76.210 -1.761 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 18 77.964 -1.670 -1.479 1.00 0.00 H new ATOM 0 HE22 GLN A 18 78.720 -3.267 -1.456 1.00 0.00 H new ATOM 247 N SER A 19 78.352 1.266 -7.606 1.00 0.00 N ATOM 248 CA SER A 19 79.173 1.655 -8.799 1.00 0.00 C ATOM 249 C SER A 19 80.433 2.383 -8.316 1.00 0.00 C ATOM 250 O SER A 19 80.461 3.595 -8.243 1.00 0.00 O ATOM 251 CB SER A 19 78.359 2.592 -9.694 1.00 0.00 C ATOM 252 OG SER A 19 79.221 3.190 -10.651 1.00 0.00 O ATOM 0 H SER A 19 78.131 2.033 -6.972 1.00 0.00 H new ATOM 0 HA SER A 19 79.450 0.765 -9.364 1.00 0.00 H new ATOM 0 HB2 SER A 19 77.567 2.037 -10.197 1.00 0.00 H new ATOM 0 HB3 SER A 19 77.876 3.361 -9.091 1.00 0.00 H new ATOM 0 HG SER A 19 78.703 3.790 -11.228 1.00 0.00 H new ATOM 258 N GLY A 20 81.475 1.666 -7.982 1.00 0.00 N ATOM 259 CA GLY A 20 82.721 2.343 -7.502 1.00 0.00 C ATOM 260 C GLY A 20 82.649 2.530 -5.981 1.00 0.00 C ATOM 261 O GLY A 20 82.644 3.636 -5.490 1.00 0.00 O ATOM 0 H GLY A 20 81.519 0.648 -8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 20 83.595 1.747 -7.765 1.00 0.00 H new ATOM 0 HA3 GLY A 20 82.834 3.310 -7.993 1.00 0.00 H new ATOM 265 N VAL A 21 82.586 1.448 -5.244 1.00 0.00 N ATOM 266 CA VAL A 21 82.507 1.520 -3.746 1.00 0.00 C ATOM 267 C VAL A 21 81.586 2.661 -3.311 1.00 0.00 C ATOM 268 O VAL A 21 81.819 3.319 -2.318 1.00 0.00 O ATOM 269 CB VAL A 21 83.906 1.702 -3.136 1.00 0.00 C ATOM 270 CG1 VAL A 21 84.769 0.505 -3.521 1.00 0.00 C ATOM 271 CG2 VAL A 21 84.573 2.987 -3.644 1.00 0.00 C ATOM 0 H VAL A 21 82.586 0.500 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 21 82.092 0.580 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 21 83.806 1.775 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 21 85.765 0.622 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 21 84.315 -0.409 -3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 21 84.845 0.445 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 21 85.561 3.087 -3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 21 84.671 2.942 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 21 83.961 3.847 -3.371 1.00 0.00 H new ATOM 281 N GLN A 22 80.540 2.893 -4.055 1.00 0.00 N ATOM 282 CA GLN A 22 79.569 3.982 -3.712 1.00 0.00 C ATOM 283 C GLN A 22 78.146 3.437 -3.795 1.00 0.00 C ATOM 284 O GLN A 22 77.906 2.416 -4.399 1.00 0.00 O ATOM 285 CB GLN A 22 79.739 5.145 -4.694 1.00 0.00 C ATOM 286 CG GLN A 22 80.971 5.957 -4.301 1.00 0.00 C ATOM 287 CD GLN A 22 81.326 6.934 -5.424 1.00 0.00 C ATOM 288 OE1 GLN A 22 80.894 6.770 -6.548 1.00 0.00 O ATOM 289 NE2 GLN A 22 82.108 7.945 -5.166 1.00 0.00 N ATOM 0 H GLN A 22 80.310 2.369 -4.899 1.00 0.00 H new ATOM 0 HA GLN A 22 79.759 4.337 -2.699 1.00 0.00 H new ATOM 0 HB2 GLN A 22 79.847 4.766 -5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 22 78.852 5.779 -4.683 1.00 0.00 H new ATOM 0 HG2 GLN A 22 80.779 6.504 -3.378 1.00 0.00 H new ATOM 0 HG3 GLN A 22 81.811 5.290 -4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 22 82.470 8.082 -4.222 1.00 0.00 H new ATOM 0 HE22 GLN A 22 82.358 8.599 -5.908 1.00 0.00 H new ATOM 298 N TYR A 23 77.198 4.125 -3.207 1.00 0.00 N ATOM 299 CA TYR A 23 75.769 3.673 -3.260 1.00 0.00 C ATOM 300 C TYR A 23 74.943 4.764 -3.932 1.00 0.00 C ATOM 301 O TYR A 23 75.106 5.933 -3.647 1.00 0.00 O ATOM 302 CB TYR A 23 75.232 3.455 -1.839 1.00 0.00 C ATOM 303 CG TYR A 23 75.756 2.154 -1.274 1.00 0.00 C ATOM 304 CD1 TYR A 23 75.379 0.940 -1.860 1.00 0.00 C ATOM 305 CD2 TYR A 23 76.607 2.158 -0.160 1.00 0.00 C ATOM 306 CE1 TYR A 23 75.851 -0.268 -1.336 1.00 0.00 C ATOM 307 CE2 TYR A 23 77.077 0.949 0.365 1.00 0.00 C ATOM 308 CZ TYR A 23 76.700 -0.263 -0.222 1.00 0.00 C ATOM 309 OH TYR A 23 77.162 -1.455 0.298 1.00 0.00 O ATOM 0 H TYR A 23 77.353 4.989 -2.687 1.00 0.00 H new ATOM 0 HA TYR A 23 75.704 2.738 -3.816 1.00 0.00 H new ATOM 0 HB2 TYR A 23 75.532 4.284 -1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.142 3.441 -1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 23 74.723 0.936 -2.718 1.00 0.00 H new ATOM 0 HD2 TYR A 23 76.900 3.094 0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 23 75.561 -1.204 -1.790 1.00 0.00 H new ATOM 0 HE2 TYR A 23 77.731 0.952 1.224 1.00 0.00 H new ATOM 0 HH TYR A 23 78.123 -1.384 0.474 1.00 0.00 H new ATOM 319 N THR A 24 74.056 4.396 -4.821 1.00 0.00 N ATOM 320 CA THR A 24 73.212 5.423 -5.509 1.00 0.00 C ATOM 321 C THR A 24 71.778 4.913 -5.644 1.00 0.00 C ATOM 322 O THR A 24 71.529 3.725 -5.753 1.00 0.00 O ATOM 323 CB THR A 24 73.788 5.713 -6.898 1.00 0.00 C ATOM 324 OG1 THR A 24 73.891 4.501 -7.629 1.00 0.00 O ATOM 325 CG2 THR A 24 75.173 6.346 -6.752 1.00 0.00 C ATOM 0 H THR A 24 73.879 3.431 -5.101 1.00 0.00 H new ATOM 0 HA THR A 24 73.210 6.339 -4.918 1.00 0.00 H new ATOM 0 HB THR A 24 73.131 6.401 -7.430 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.258 4.686 -8.519 1.00 0.00 H new ATOM 0 HG21 THR A 24 75.584 6.553 -7.740 1.00 0.00 H new ATOM 0 HG22 THR A 24 75.090 7.277 -6.191 1.00 0.00 H new ATOM 0 HG23 THR A 24 75.833 5.660 -6.221 1.00 0.00 H new ATOM 333 N TYR A 25 70.836 5.814 -5.636 1.00 0.00 N ATOM 334 CA TYR A 25 69.406 5.425 -5.759 1.00 0.00 C ATOM 335 C TYR A 25 69.099 5.177 -7.239 1.00 0.00 C ATOM 336 O TYR A 25 69.351 6.013 -8.083 1.00 0.00 O ATOM 337 CB TYR A 25 68.555 6.579 -5.216 1.00 0.00 C ATOM 338 CG TYR A 25 67.116 6.159 -5.055 1.00 0.00 C ATOM 339 CD1 TYR A 25 66.686 5.599 -3.846 1.00 0.00 C ATOM 340 CD2 TYR A 25 66.205 6.358 -6.096 1.00 0.00 C ATOM 341 CE1 TYR A 25 65.346 5.237 -3.678 1.00 0.00 C ATOM 342 CE2 TYR A 25 64.863 5.991 -5.930 1.00 0.00 C ATOM 343 CZ TYR A 25 64.435 5.431 -4.720 1.00 0.00 C ATOM 344 OH TYR A 25 63.111 5.078 -4.553 1.00 0.00 O ATOM 0 H TYR A 25 71.000 6.817 -5.548 1.00 0.00 H new ATOM 0 HA TYR A 25 69.187 4.518 -5.196 1.00 0.00 H new ATOM 0 HB2 TYR A 25 68.952 6.907 -4.255 1.00 0.00 H new ATOM 0 HB3 TYR A 25 68.616 7.431 -5.894 1.00 0.00 H new ATOM 0 HD1 TYR A 25 67.391 5.446 -3.042 1.00 0.00 H new ATOM 0 HD2 TYR A 25 66.535 6.794 -7.027 1.00 0.00 H new ATOM 0 HE1 TYR A 25 65.015 4.808 -2.744 1.00 0.00 H new ATOM 0 HE2 TYR A 25 64.159 6.140 -6.735 1.00 0.00 H new ATOM 0 HH TYR A 25 63.029 4.102 -4.567 1.00 0.00 H new ATOM 354 N ASN A 26 68.584 4.021 -7.566 1.00 0.00 N ATOM 355 CA ASN A 26 68.290 3.704 -8.995 1.00 0.00 C ATOM 356 C ASN A 26 66.921 4.257 -9.398 1.00 0.00 C ATOM 357 O ASN A 26 65.929 3.554 -9.383 1.00 0.00 O ATOM 358 CB ASN A 26 68.293 2.184 -9.176 1.00 0.00 C ATOM 359 CG ASN A 26 68.012 1.840 -10.638 1.00 0.00 C ATOM 360 OD1 ASN A 26 67.848 2.718 -11.462 1.00 0.00 O ATOM 361 ND2 ASN A 26 67.947 0.587 -10.998 1.00 0.00 N ATOM 0 H ASN A 26 68.354 3.281 -6.903 1.00 0.00 H new ATOM 0 HA ASN A 26 69.052 4.163 -9.625 1.00 0.00 H new ATOM 0 HB2 ASN A 26 69.257 1.774 -8.874 1.00 0.00 H new ATOM 0 HB3 ASN A 26 67.538 1.730 -8.534 1.00 0.00 H new ATOM 0 HD21 ASN A 26 67.759 0.345 -11.971 1.00 0.00 H new ATOM 0 HD22 ASN A 26 68.085 -0.150 -10.307 1.00 0.00 H new ATOM 368 N SER A 27 66.857 5.508 -9.771 1.00 0.00 N ATOM 369 CA SER A 27 65.550 6.095 -10.189 1.00 0.00 C ATOM 370 C SER A 27 65.283 5.756 -11.655 1.00 0.00 C ATOM 371 O SER A 27 64.220 6.023 -12.178 1.00 0.00 O ATOM 372 CB SER A 27 65.578 7.612 -10.015 1.00 0.00 C ATOM 373 OG SER A 27 66.467 8.180 -10.969 1.00 0.00 O ATOM 0 H SER A 27 67.651 6.147 -9.804 1.00 0.00 H new ATOM 0 HA SER A 27 64.758 5.679 -9.567 1.00 0.00 H new ATOM 0 HB2 SER A 27 64.577 8.023 -10.145 1.00 0.00 H new ATOM 0 HB3 SER A 27 65.899 7.868 -9.005 1.00 0.00 H new ATOM 0 HG SER A 27 66.485 9.154 -10.860 1.00 0.00 H new ATOM 379 N GLY A 28 66.238 5.170 -12.327 1.00 0.00 N ATOM 380 CA GLY A 28 66.031 4.818 -13.761 1.00 0.00 C ATOM 381 C GLY A 28 64.782 3.947 -13.887 1.00 0.00 C ATOM 382 O GLY A 28 64.017 4.069 -14.824 1.00 0.00 O ATOM 0 H GLY A 28 67.150 4.921 -11.945 1.00 0.00 H new ATOM 0 HA2 GLY A 28 65.920 5.723 -14.358 1.00 0.00 H new ATOM 0 HA3 GLY A 28 66.901 4.286 -14.147 1.00 0.00 H new ATOM 386 N VAL A 29 64.564 3.070 -12.943 1.00 0.00 N ATOM 387 CA VAL A 29 63.358 2.195 -12.998 1.00 0.00 C ATOM 388 C VAL A 29 62.179 2.943 -12.369 1.00 0.00 C ATOM 389 O VAL A 29 62.318 3.590 -11.351 1.00 0.00 O ATOM 390 CB VAL A 29 63.632 0.903 -12.227 1.00 0.00 C ATOM 391 CG1 VAL A 29 64.911 0.257 -12.758 1.00 0.00 C ATOM 392 CG2 VAL A 29 63.800 1.219 -10.742 1.00 0.00 C ATOM 0 H VAL A 29 65.170 2.922 -12.136 1.00 0.00 H new ATOM 0 HA VAL A 29 63.121 1.945 -14.032 1.00 0.00 H new ATOM 0 HB VAL A 29 62.795 0.217 -12.358 1.00 0.00 H new ATOM 0 HG11 VAL A 29 65.108 -0.664 -12.210 1.00 0.00 H new ATOM 0 HG12 VAL A 29 64.791 0.030 -13.817 1.00 0.00 H new ATOM 0 HG13 VAL A 29 65.747 0.944 -12.626 1.00 0.00 H new ATOM 0 HG21 VAL A 29 63.995 0.297 -10.194 1.00 0.00 H new ATOM 0 HG22 VAL A 29 64.637 1.905 -10.608 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.888 1.681 -10.363 1.00 0.00 H new ATOM 402 N SER A 30 61.029 2.883 -12.983 1.00 0.00 N ATOM 403 CA SER A 30 59.848 3.615 -12.439 1.00 0.00 C ATOM 404 C SER A 30 59.347 2.981 -11.137 1.00 0.00 C ATOM 405 O SER A 30 58.957 3.674 -10.220 1.00 0.00 O ATOM 406 CB SER A 30 58.722 3.594 -13.474 1.00 0.00 C ATOM 407 OG SER A 30 58.220 2.268 -13.591 1.00 0.00 O ATOM 0 H SER A 30 60.855 2.358 -13.840 1.00 0.00 H new ATOM 0 HA SER A 30 60.151 4.640 -12.225 1.00 0.00 H new ATOM 0 HB2 SER A 30 57.924 4.273 -13.174 1.00 0.00 H new ATOM 0 HB3 SER A 30 59.092 3.942 -14.438 1.00 0.00 H new ATOM 0 HG SER A 30 57.497 2.249 -14.252 1.00 0.00 H new ATOM 413 N VAL A 31 59.328 1.677 -11.045 1.00 0.00 N ATOM 414 CA VAL A 31 58.804 1.030 -9.803 1.00 0.00 C ATOM 415 C VAL A 31 59.458 1.638 -8.561 1.00 0.00 C ATOM 416 O VAL A 31 58.800 1.893 -7.570 1.00 0.00 O ATOM 417 CB VAL A 31 59.102 -0.469 -9.837 1.00 0.00 C ATOM 418 CG1 VAL A 31 58.420 -1.104 -11.049 1.00 0.00 C ATOM 419 CG2 VAL A 31 60.616 -0.692 -9.923 1.00 0.00 C ATOM 0 H VAL A 31 59.650 1.035 -11.769 1.00 0.00 H new ATOM 0 HA VAL A 31 57.728 1.196 -9.758 1.00 0.00 H new ATOM 0 HB VAL A 31 58.720 -0.931 -8.927 1.00 0.00 H new ATOM 0 HG11 VAL A 31 58.635 -2.172 -11.069 1.00 0.00 H new ATOM 0 HG12 VAL A 31 57.343 -0.952 -10.981 1.00 0.00 H new ATOM 0 HG13 VAL A 31 58.795 -0.641 -11.962 1.00 0.00 H new ATOM 0 HG21 VAL A 31 60.825 -1.761 -9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 31 61.001 -0.226 -10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 31 61.099 -0.247 -9.053 1.00 0.00 H new ATOM 429 N CYS A 32 60.739 1.866 -8.589 1.00 0.00 N ATOM 430 CA CYS A 32 61.406 2.447 -7.391 1.00 0.00 C ATOM 431 C CYS A 32 60.815 3.831 -7.076 1.00 0.00 C ATOM 432 O CYS A 32 60.573 4.167 -5.927 1.00 0.00 O ATOM 433 CB CYS A 32 62.907 2.566 -7.655 1.00 0.00 C ATOM 434 SG CYS A 32 63.762 2.933 -6.104 1.00 0.00 S ATOM 0 H CYS A 32 61.351 1.677 -9.383 1.00 0.00 H new ATOM 0 HA CYS A 32 61.240 1.795 -6.534 1.00 0.00 H new ATOM 0 HB2 CYS A 32 63.287 1.638 -8.082 1.00 0.00 H new ATOM 0 HB3 CYS A 32 63.098 3.354 -8.384 1.00 0.00 H new ATOM 0 HG CYS A 32 63.756 4.217 -5.898 1.00 0.00 H new ATOM 439 N MET A 33 60.576 4.647 -8.075 1.00 0.00 N ATOM 440 CA MET A 33 60.006 5.999 -7.791 1.00 0.00 C ATOM 441 C MET A 33 58.485 5.923 -7.613 1.00 0.00 C ATOM 442 O MET A 33 57.870 6.853 -7.131 1.00 0.00 O ATOM 443 CB MET A 33 60.330 6.970 -8.932 1.00 0.00 C ATOM 444 CG MET A 33 61.846 7.241 -8.992 1.00 0.00 C ATOM 445 SD MET A 33 62.128 8.918 -9.611 1.00 0.00 S ATOM 446 CE MET A 33 61.976 9.766 -8.016 1.00 0.00 C ATOM 0 H MET A 33 60.748 4.439 -9.059 1.00 0.00 H new ATOM 0 HA MET A 33 60.457 6.361 -6.867 1.00 0.00 H new ATOM 0 HB2 MET A 33 59.991 6.553 -9.880 1.00 0.00 H new ATOM 0 HB3 MET A 33 59.792 7.907 -8.785 1.00 0.00 H new ATOM 0 HG2 MET A 33 62.287 7.127 -8.002 1.00 0.00 H new ATOM 0 HG3 MET A 33 62.332 6.514 -9.643 1.00 0.00 H new ATOM 0 HE1 MET A 33 61.886 10.840 -8.182 1.00 0.00 H new ATOM 0 HE2 MET A 33 61.090 9.404 -7.494 1.00 0.00 H new ATOM 0 HE3 MET A 33 62.861 9.566 -7.412 1.00 0.00 H new ATOM 456 N GLN A 34 57.868 4.830 -7.965 1.00 0.00 N ATOM 457 CA GLN A 34 56.390 4.738 -7.773 1.00 0.00 C ATOM 458 C GLN A 34 56.086 4.903 -6.284 1.00 0.00 C ATOM 459 O GLN A 34 55.139 5.559 -5.900 1.00 0.00 O ATOM 460 CB GLN A 34 55.875 3.378 -8.266 1.00 0.00 C ATOM 461 CG GLN A 34 55.757 3.393 -9.793 1.00 0.00 C ATOM 462 CD GLN A 34 54.580 4.276 -10.209 1.00 0.00 C ATOM 463 OE1 GLN A 34 54.742 5.459 -10.436 1.00 0.00 O ATOM 464 NE2 GLN A 34 53.395 3.745 -10.329 1.00 0.00 N ATOM 0 H GLN A 34 58.313 4.007 -8.371 1.00 0.00 H new ATOM 0 HA GLN A 34 55.892 5.520 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.554 2.586 -7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 34 54.905 3.162 -7.819 1.00 0.00 H new ATOM 0 HG2 GLN A 34 56.680 3.768 -10.235 1.00 0.00 H new ATOM 0 HG3 GLN A 34 55.614 2.379 -10.167 1.00 0.00 H new ATOM 0 HE21 GLN A 34 53.259 2.752 -10.138 1.00 0.00 H new ATOM 0 HE22 GLN A 34 52.604 4.322 -10.613 1.00 0.00 H new ATOM 473 N GLY A 35 56.893 4.320 -5.444 1.00 0.00 N ATOM 474 CA GLY A 35 56.662 4.450 -3.980 1.00 0.00 C ATOM 475 C GLY A 35 57.149 5.822 -3.506 1.00 0.00 C ATOM 476 O GLY A 35 56.442 6.546 -2.834 1.00 0.00 O ATOM 0 H GLY A 35 57.703 3.759 -5.708 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.602 4.331 -3.756 1.00 0.00 H new ATOM 0 HA3 GLY A 35 57.191 3.660 -3.446 1.00 0.00 H new ATOM 480 N LEU A 36 58.357 6.182 -3.849 1.00 0.00 N ATOM 481 CA LEU A 36 58.890 7.507 -3.412 1.00 0.00 C ATOM 482 C LEU A 36 57.998 8.627 -3.971 1.00 0.00 C ATOM 483 O LEU A 36 57.698 9.591 -3.294 1.00 0.00 O ATOM 484 CB LEU A 36 60.325 7.661 -3.931 1.00 0.00 C ATOM 485 CG LEU A 36 60.923 9.011 -3.509 1.00 0.00 C ATOM 486 CD1 LEU A 36 61.029 9.088 -1.980 1.00 0.00 C ATOM 487 CD2 LEU A 36 62.323 9.157 -4.128 1.00 0.00 C ATOM 0 H LEU A 36 58.996 5.619 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 36 58.892 7.571 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 36 60.943 6.850 -3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.333 7.580 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 36 60.276 9.816 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 36 61.454 10.050 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.037 8.984 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 36 61.671 8.285 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.754 10.114 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.962 8.347 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 36 62.247 9.114 -5.214 1.00 0.00 H new ATOM 499 N ASN A 37 57.574 8.506 -5.200 1.00 0.00 N ATOM 500 CA ASN A 37 56.705 9.561 -5.808 1.00 0.00 C ATOM 501 C ASN A 37 55.410 9.698 -4.995 1.00 0.00 C ATOM 502 O ASN A 37 54.911 10.786 -4.780 1.00 0.00 O ATOM 503 CB ASN A 37 56.363 9.177 -7.251 1.00 0.00 C ATOM 504 CG ASN A 37 55.489 10.265 -7.883 1.00 0.00 C ATOM 505 OD1 ASN A 37 55.747 11.521 -7.634 1.00 0.00 O flip ATOM 506 ND2 ASN A 37 54.566 9.968 -8.616 1.00 0.00 N flip ATOM 0 H ASN A 37 57.791 7.720 -5.813 1.00 0.00 H new ATOM 0 HA ASN A 37 57.238 10.512 -5.801 1.00 0.00 H new ATOM 0 HB2 ASN A 37 57.278 9.050 -7.830 1.00 0.00 H new ATOM 0 HB3 ASN A 37 55.840 8.221 -7.269 1.00 0.00 H new ATOM 0 HD21 ASN A 37 54.364 8.987 -8.811 1.00 0.00 H new ATOM 0 HD22 ASN A 37 53.993 10.700 -9.037 1.00 0.00 H new ATOM 513 N GLU A 38 54.855 8.601 -4.554 1.00 0.00 N ATOM 514 CA GLU A 38 53.588 8.664 -3.768 1.00 0.00 C ATOM 515 C GLU A 38 53.874 9.176 -2.354 1.00 0.00 C ATOM 516 O GLU A 38 52.968 9.476 -1.602 1.00 0.00 O ATOM 517 CB GLU A 38 52.971 7.266 -3.683 1.00 0.00 C ATOM 518 CG GLU A 38 52.419 6.866 -5.055 1.00 0.00 C ATOM 519 CD GLU A 38 51.837 5.454 -4.979 1.00 0.00 C ATOM 520 OE1 GLU A 38 52.583 4.512 -5.194 1.00 0.00 O ATOM 521 OE2 GLU A 38 50.655 5.340 -4.709 1.00 0.00 O ATOM 0 H GLU A 38 55.225 7.662 -4.704 1.00 0.00 H new ATOM 0 HA GLU A 38 52.895 9.344 -4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 38 53.721 6.545 -3.357 1.00 0.00 H new ATOM 0 HB3 GLU A 38 52.173 7.254 -2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 38 51.650 7.571 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 38 53.211 6.905 -5.803 1.00 0.00 H new ATOM 528 N GLY A 39 55.120 9.289 -1.985 1.00 0.00 N ATOM 529 CA GLY A 39 55.444 9.791 -0.622 1.00 0.00 C ATOM 530 C GLY A 39 55.160 8.702 0.415 1.00 0.00 C ATOM 531 O GLY A 39 54.906 8.986 1.569 1.00 0.00 O ATOM 0 H GLY A 39 55.925 9.056 -2.567 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.492 10.087 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.851 10.679 -0.402 1.00 0.00 H new ATOM 535 N LYS A 40 55.220 7.458 0.020 1.00 0.00 N ATOM 536 CA LYS A 40 54.979 6.343 0.984 1.00 0.00 C ATOM 537 C LYS A 40 56.343 5.817 1.388 1.00 0.00 C ATOM 538 O LYS A 40 56.486 4.969 2.245 1.00 0.00 O ATOM 539 CB LYS A 40 54.185 5.230 0.293 1.00 0.00 C ATOM 540 CG LYS A 40 52.868 5.789 -0.262 1.00 0.00 C ATOM 541 CD LYS A 40 51.880 6.064 0.877 1.00 0.00 C ATOM 542 CE LYS A 40 50.511 6.398 0.285 1.00 0.00 C ATOM 543 NZ LYS A 40 50.587 7.703 -0.425 1.00 0.00 N ATOM 0 H LYS A 40 55.427 7.164 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 40 54.413 6.684 1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.776 4.799 -0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 40 53.979 4.427 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 40 53.060 6.709 -0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 40 52.433 5.080 -0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 40 51.805 5.193 1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 40 52.236 6.891 1.491 1.00 0.00 H new ATOM 0 HE2 LYS A 40 50.199 5.614 -0.405 1.00 0.00 H new ATOM 0 HE3 LYS A 40 49.762 6.444 1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 49.745 8.270 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 51.440 8.215 -0.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 50.630 7.538 -1.451 1.00 0.00 H new ATOM 557 N VAL A 41 57.348 6.343 0.753 1.00 0.00 N ATOM 558 CA VAL A 41 58.746 5.938 1.034 1.00 0.00 C ATOM 559 C VAL A 41 59.589 7.200 1.172 1.00 0.00 C ATOM 560 O VAL A 41 59.213 8.265 0.725 1.00 0.00 O ATOM 561 CB VAL A 41 59.271 5.104 -0.134 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.771 4.887 -0.011 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.546 3.755 -0.174 1.00 0.00 C ATOM 0 H VAL A 41 57.254 7.057 0.031 1.00 0.00 H new ATOM 0 HA VAL A 41 58.795 5.349 1.950 1.00 0.00 H new ATOM 0 HB VAL A 41 59.079 5.644 -1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 41 61.123 4.291 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.279 5.851 -0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 41 60.988 4.363 0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.923 3.164 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.722 3.220 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.476 3.921 -0.301 1.00 0.00 H new ATOM 573 N ARG A 42 60.722 7.072 1.779 1.00 0.00 N ATOM 574 CA ARG A 42 61.642 8.235 1.968 1.00 0.00 C ATOM 575 C ARG A 42 62.978 7.889 1.321 1.00 0.00 C ATOM 576 O ARG A 42 63.874 8.703 1.213 1.00 0.00 O ATOM 577 CB ARG A 42 61.820 8.475 3.470 1.00 0.00 C ATOM 578 CG ARG A 42 62.869 9.558 3.716 1.00 0.00 C ATOM 579 CD ARG A 42 62.847 9.952 5.190 1.00 0.00 C ATOM 580 NE ARG A 42 63.931 10.934 5.458 1.00 0.00 N ATOM 581 CZ ARG A 42 64.066 11.440 6.653 1.00 0.00 C ATOM 582 NH1 ARG A 42 63.249 11.085 7.608 1.00 0.00 N ATOM 583 NH2 ARG A 42 65.014 12.304 6.892 1.00 0.00 N ATOM 0 H ARG A 42 61.067 6.193 2.165 1.00 0.00 H new ATOM 0 HA ARG A 42 61.240 9.139 1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 42 60.869 8.773 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 42 62.122 7.549 3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 42 63.858 9.193 3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 42 62.665 10.428 3.092 1.00 0.00 H new ATOM 0 HD2 ARG A 42 61.880 10.383 5.448 1.00 0.00 H new ATOM 0 HD3 ARG A 42 62.979 9.069 5.815 1.00 0.00 H new ATOM 0 HE ARG A 42 64.567 11.211 4.710 1.00 0.00 H new ATOM 0 HH11 ARG A 42 62.506 10.412 7.420 1.00 0.00 H new ATOM 0 HH12 ARG A 42 63.354 11.480 8.542 1.00 0.00 H new ATOM 0 HH21 ARG A 42 65.649 12.584 6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 42 65.120 12.700 7.826 1.00 0.00 H new ATOM 597 N GLY A 43 63.106 6.668 0.882 1.00 0.00 N ATOM 598 CA GLY A 43 64.376 6.212 0.232 1.00 0.00 C ATOM 599 C GLY A 43 64.731 4.840 0.797 1.00 0.00 C ATOM 600 O GLY A 43 63.908 4.199 1.412 1.00 0.00 O ATOM 0 H GLY A 43 62.379 5.955 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.252 6.158 -0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.179 6.923 0.426 1.00 0.00 H new ATOM 604 N VAL A 44 65.943 4.378 0.604 1.00 0.00 N ATOM 605 CA VAL A 44 66.340 3.036 1.150 1.00 0.00 C ATOM 606 C VAL A 44 67.509 3.207 2.116 1.00 0.00 C ATOM 607 O VAL A 44 68.505 3.824 1.800 1.00 0.00 O ATOM 608 CB VAL A 44 66.759 2.121 -0.002 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.307 0.802 0.557 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.538 1.828 -0.878 1.00 0.00 C ATOM 0 H VAL A 44 66.676 4.870 0.093 1.00 0.00 H new ATOM 0 HA VAL A 44 65.495 2.592 1.677 1.00 0.00 H new ATOM 0 HB VAL A 44 67.532 2.612 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.604 0.153 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.172 1.006 1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.535 0.308 1.147 1.00 0.00 H new ATOM 0 HG21 VAL A 44 65.829 1.176 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.771 1.337 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.144 2.763 -1.277 1.00 0.00 H new ATOM 620 N SER A 45 67.399 2.653 3.293 1.00 0.00 N ATOM 621 CA SER A 45 68.508 2.767 4.278 1.00 0.00 C ATOM 622 C SER A 45 69.537 1.683 3.985 1.00 0.00 C ATOM 623 O SER A 45 69.194 0.545 3.735 1.00 0.00 O ATOM 624 CB SER A 45 67.965 2.578 5.694 1.00 0.00 C ATOM 625 OG SER A 45 69.054 2.425 6.597 1.00 0.00 O ATOM 0 H SER A 45 66.587 2.126 3.614 1.00 0.00 H new ATOM 0 HA SER A 45 68.967 3.752 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 45 67.357 3.436 5.981 1.00 0.00 H new ATOM 0 HB3 SER A 45 67.318 1.702 5.734 1.00 0.00 H new ATOM 0 HG SER A 45 68.710 2.305 7.507 1.00 0.00 H new ATOM 631 N VAL A 46 70.798 2.029 4.012 1.00 0.00 N ATOM 632 CA VAL A 46 71.868 1.020 3.734 1.00 0.00 C ATOM 633 C VAL A 46 72.946 1.098 4.813 1.00 0.00 C ATOM 634 O VAL A 46 73.424 2.160 5.160 1.00 0.00 O ATOM 635 CB VAL A 46 72.493 1.291 2.364 1.00 0.00 C ATOM 636 CG1 VAL A 46 73.237 2.626 2.391 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.474 0.165 2.014 1.00 0.00 C ATOM 0 H VAL A 46 71.136 2.970 4.215 1.00 0.00 H new ATOM 0 HA VAL A 46 71.427 0.023 3.737 1.00 0.00 H new ATOM 0 HB VAL A 46 71.705 1.333 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 46 73.681 2.815 1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.539 3.427 2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.023 2.589 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 46 73.918 0.360 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 46 74.260 0.120 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 46 72.942 -0.786 1.987 1.00 0.00 H new ATOM 647 N SER A 47 73.339 -0.037 5.328 1.00 0.00 N ATOM 648 CA SER A 47 74.404 -0.088 6.374 1.00 0.00 C ATOM 649 C SER A 47 75.491 -1.027 5.868 1.00 0.00 C ATOM 650 O SER A 47 75.227 -1.929 5.101 1.00 0.00 O ATOM 651 CB SER A 47 73.826 -0.632 7.683 1.00 0.00 C ATOM 652 OG SER A 47 73.872 -2.052 7.660 1.00 0.00 O ATOM 0 H SER A 47 72.961 -0.947 5.064 1.00 0.00 H new ATOM 0 HA SER A 47 74.804 0.908 6.563 1.00 0.00 H new ATOM 0 HB2 SER A 47 74.395 -0.252 8.531 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.798 -0.292 7.810 1.00 0.00 H new ATOM 0 HG SER A 47 73.504 -2.405 8.497 1.00 0.00 H new ATOM 658 N GLY A 48 76.715 -0.820 6.265 1.00 0.00 N ATOM 659 CA GLY A 48 77.809 -1.716 5.765 1.00 0.00 C ATOM 660 C GLY A 48 78.879 -1.915 6.836 1.00 0.00 C ATOM 661 O GLY A 48 79.167 -1.033 7.619 1.00 0.00 O ATOM 0 H GLY A 48 77.009 -0.082 6.905 1.00 0.00 H new ATOM 0 HA2 GLY A 48 77.392 -2.681 5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 48 78.259 -1.284 4.871 1.00 0.00 H new ATOM 665 N VAL A 49 79.481 -3.082 6.856 1.00 0.00 N ATOM 666 CA VAL A 49 80.554 -3.381 7.851 1.00 0.00 C ATOM 667 C VAL A 49 81.768 -3.943 7.118 1.00 0.00 C ATOM 668 O VAL A 49 81.663 -4.905 6.382 1.00 0.00 O ATOM 669 CB VAL A 49 80.048 -4.426 8.856 1.00 0.00 C ATOM 670 CG1 VAL A 49 81.191 -4.873 9.775 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.941 -3.813 9.712 1.00 0.00 C ATOM 0 H VAL A 49 79.269 -3.847 6.216 1.00 0.00 H new ATOM 0 HA VAL A 49 80.825 -2.468 8.381 1.00 0.00 H new ATOM 0 HB VAL A 49 79.667 -5.286 8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.820 -5.614 10.483 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.989 -5.311 9.176 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.578 -4.012 10.320 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.581 -4.554 10.426 1.00 0.00 H new ATOM 0 HG22 VAL A 49 79.333 -2.950 10.251 1.00 0.00 H new ATOM 0 HG23 VAL A 49 78.118 -3.497 9.071 1.00 0.00 H new ATOM 681 N PHE A 50 82.925 -3.371 7.333 1.00 0.00 N ATOM 682 CA PHE A 50 84.161 -3.890 6.671 1.00 0.00 C ATOM 683 C PHE A 50 84.946 -4.696 7.710 1.00 0.00 C ATOM 684 O PHE A 50 85.444 -4.155 8.677 1.00 0.00 O ATOM 685 CB PHE A 50 85.006 -2.702 6.165 1.00 0.00 C ATOM 686 CG PHE A 50 84.503 -2.252 4.806 1.00 0.00 C ATOM 687 CD1 PHE A 50 84.982 -2.887 3.653 1.00 0.00 C ATOM 688 CD2 PHE A 50 83.565 -1.211 4.691 1.00 0.00 C ATOM 689 CE1 PHE A 50 84.528 -2.490 2.392 1.00 0.00 C ATOM 690 CE2 PHE A 50 83.114 -0.815 3.427 1.00 0.00 C ATOM 691 CZ PHE A 50 83.595 -1.456 2.279 1.00 0.00 C ATOM 0 H PHE A 50 83.068 -2.564 7.940 1.00 0.00 H new ATOM 0 HA PHE A 50 83.911 -4.524 5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 50 84.950 -1.877 6.875 1.00 0.00 H new ATOM 0 HB3 PHE A 50 86.054 -2.993 6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 50 85.704 -3.686 3.739 1.00 0.00 H new ATOM 0 HD2 PHE A 50 83.193 -0.718 5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 50 84.898 -2.982 1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 50 82.395 -0.015 3.337 1.00 0.00 H new ATOM 0 HZ PHE A 50 83.244 -1.151 1.304 1.00 0.00 H new ATOM 701 N TYR A 51 85.051 -5.985 7.530 1.00 0.00 N ATOM 702 CA TYR A 51 85.791 -6.815 8.524 1.00 0.00 C ATOM 703 C TYR A 51 87.289 -6.721 8.247 1.00 0.00 C ATOM 704 O TYR A 51 87.740 -6.930 7.141 1.00 0.00 O ATOM 705 CB TYR A 51 85.336 -8.277 8.411 1.00 0.00 C ATOM 706 CG TYR A 51 84.012 -8.457 9.121 1.00 0.00 C ATOM 707 CD1 TYR A 51 82.850 -7.887 8.587 1.00 0.00 C ATOM 708 CD2 TYR A 51 83.946 -9.196 10.311 1.00 0.00 C ATOM 709 CE1 TYR A 51 81.624 -8.055 9.241 1.00 0.00 C ATOM 710 CE2 TYR A 51 82.719 -9.364 10.963 1.00 0.00 C ATOM 711 CZ TYR A 51 81.558 -8.794 10.428 1.00 0.00 C ATOM 712 OH TYR A 51 80.349 -8.961 11.070 1.00 0.00 O ATOM 0 H TYR A 51 84.658 -6.498 6.741 1.00 0.00 H new ATOM 0 HA TYR A 51 85.585 -6.450 9.530 1.00 0.00 H new ATOM 0 HB2 TYR A 51 85.238 -8.557 7.362 1.00 0.00 H new ATOM 0 HB3 TYR A 51 86.086 -8.936 8.848 1.00 0.00 H new ATOM 0 HD1 TYR A 51 82.900 -7.318 7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 51 84.842 -9.635 10.724 1.00 0.00 H new ATOM 0 HE1 TYR A 51 80.728 -7.614 8.829 1.00 0.00 H new ATOM 0 HE2 TYR A 51 82.668 -9.934 11.879 1.00 0.00 H new ATOM 0 HH TYR A 51 80.479 -9.500 11.878 1.00 0.00 H new ATOM 722 N TYR A 52 88.065 -6.410 9.254 1.00 0.00 N ATOM 723 CA TYR A 52 89.545 -6.300 9.077 1.00 0.00 C ATOM 724 C TYR A 52 90.238 -7.390 9.891 1.00 0.00 C ATOM 725 O TYR A 52 89.929 -7.613 11.046 1.00 0.00 O ATOM 726 CB TYR A 52 90.014 -4.929 9.560 1.00 0.00 C ATOM 727 CG TYR A 52 89.548 -3.867 8.591 1.00 0.00 C ATOM 728 CD1 TYR A 52 90.161 -3.752 7.336 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.510 -2.996 8.946 1.00 0.00 C ATOM 730 CE1 TYR A 52 89.735 -2.767 6.436 1.00 0.00 C ATOM 731 CE2 TYR A 52 88.085 -2.010 8.046 1.00 0.00 C ATOM 732 CZ TYR A 52 88.698 -1.896 6.791 1.00 0.00 C ATOM 733 OH TYR A 52 88.280 -0.925 5.904 1.00 0.00 O ATOM 0 H TYR A 52 87.733 -6.226 10.201 1.00 0.00 H new ATOM 0 HA TYR A 52 89.795 -6.420 8.023 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.618 -4.727 10.555 1.00 0.00 H new ATOM 0 HB3 TYR A 52 91.101 -4.912 9.640 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.962 -4.423 7.063 1.00 0.00 H new ATOM 0 HD2 TYR A 52 88.037 -3.084 9.913 1.00 0.00 H new ATOM 0 HE1 TYR A 52 90.206 -2.679 5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 52 87.285 -1.338 8.319 1.00 0.00 H new ATOM 0 HH TYR A 52 89.055 -0.413 5.591 1.00 0.00 H new ATOM 743 N ASN A 53 91.188 -8.060 9.300 1.00 0.00 N ATOM 744 CA ASN A 53 91.923 -9.126 10.028 1.00 0.00 C ATOM 745 C ASN A 53 92.637 -8.495 11.217 1.00 0.00 C ATOM 746 O ASN A 53 93.185 -9.173 12.064 1.00 0.00 O ATOM 747 CB ASN A 53 92.957 -9.748 9.095 1.00 0.00 C ATOM 748 CG ASN A 53 92.241 -10.539 7.999 1.00 0.00 C ATOM 749 OD1 ASN A 53 91.141 -11.015 8.197 1.00 0.00 O ATOM 750 ND2 ASN A 53 92.820 -10.696 6.840 1.00 0.00 N ATOM 0 H ASN A 53 91.487 -7.912 8.336 1.00 0.00 H new ATOM 0 HA ASN A 53 91.230 -9.895 10.370 1.00 0.00 H new ATOM 0 HB2 ASN A 53 93.577 -8.969 8.651 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.622 -10.404 9.657 1.00 0.00 H new ATOM 0 HD21 ASN A 53 92.349 -11.218 6.101 1.00 0.00 H new ATOM 0 HD22 ASN A 53 93.744 -10.297 6.673 1.00 0.00 H new ATOM 757 N ASP A 54 92.645 -7.191 11.274 1.00 0.00 N ATOM 758 CA ASP A 54 93.334 -6.503 12.395 1.00 0.00 C ATOM 759 C ASP A 54 92.568 -6.777 13.690 1.00 0.00 C ATOM 760 O ASP A 54 92.942 -6.330 14.756 1.00 0.00 O ATOM 761 CB ASP A 54 93.377 -4.994 12.121 1.00 0.00 C ATOM 762 CG ASP A 54 91.965 -4.408 12.195 1.00 0.00 C ATOM 763 OD1 ASP A 54 91.029 -5.181 12.321 1.00 0.00 O ATOM 764 OD2 ASP A 54 91.843 -3.196 12.117 1.00 0.00 O ATOM 0 H ASP A 54 92.203 -6.575 10.591 1.00 0.00 H new ATOM 0 HA ASP A 54 94.354 -6.874 12.490 1.00 0.00 H new ATOM 0 HB2 ASP A 54 94.022 -4.502 12.849 1.00 0.00 H new ATOM 0 HB3 ASP A 54 93.806 -4.807 11.137 1.00 0.00 H new ATOM 769 N GLY A 55 91.500 -7.529 13.600 1.00 0.00 N ATOM 770 CA GLY A 55 90.702 -7.861 14.817 1.00 0.00 C ATOM 771 C GLY A 55 89.639 -6.791 15.070 1.00 0.00 C ATOM 772 O GLY A 55 89.063 -6.731 16.139 1.00 0.00 O ATOM 0 H GLY A 55 91.146 -7.929 12.731 1.00 0.00 H new ATOM 0 HA2 GLY A 55 90.225 -8.833 14.692 1.00 0.00 H new ATOM 0 HA3 GLY A 55 91.361 -7.938 15.681 1.00 0.00 H new ATOM 776 N THR A 56 89.367 -5.942 14.106 1.00 0.00 N ATOM 777 CA THR A 56 88.330 -4.875 14.309 1.00 0.00 C ATOM 778 C THR A 56 87.430 -4.763 13.089 1.00 0.00 C ATOM 779 O THR A 56 87.802 -5.124 11.998 1.00 0.00 O ATOM 780 CB THR A 56 89.009 -3.529 14.549 1.00 0.00 C ATOM 781 OG1 THR A 56 89.943 -3.279 13.510 1.00 0.00 O ATOM 782 CG2 THR A 56 89.728 -3.554 15.891 1.00 0.00 C ATOM 0 H THR A 56 89.816 -5.940 13.190 1.00 0.00 H new ATOM 0 HA THR A 56 87.727 -5.147 15.175 1.00 0.00 H new ATOM 0 HB THR A 56 88.259 -2.739 14.558 1.00 0.00 H new ATOM 0 HG1 THR A 56 89.868 -3.978 12.828 1.00 0.00 H new ATOM 0 HG21 THR A 56 90.213 -2.593 16.062 1.00 0.00 H new ATOM 0 HG22 THR A 56 89.007 -3.744 16.686 1.00 0.00 H new ATOM 0 HG23 THR A 56 90.479 -4.344 15.887 1.00 0.00 H new ATOM 790 N THR A 57 86.243 -4.247 13.279 1.00 0.00 N ATOM 791 CA THR A 57 85.283 -4.084 12.141 1.00 0.00 C ATOM 792 C THR A 57 84.717 -2.665 12.155 1.00 0.00 C ATOM 793 O THR A 57 84.282 -2.170 13.176 1.00 0.00 O ATOM 794 CB THR A 57 84.125 -5.079 12.302 1.00 0.00 C ATOM 795 OG1 THR A 57 83.343 -4.707 13.428 1.00 0.00 O ATOM 796 CG2 THR A 57 84.676 -6.492 12.510 1.00 0.00 C ATOM 0 H THR A 57 85.893 -3.928 14.182 1.00 0.00 H new ATOM 0 HA THR A 57 85.803 -4.269 11.201 1.00 0.00 H new ATOM 0 HB THR A 57 83.509 -5.065 11.403 1.00 0.00 H new ATOM 0 HG1 THR A 57 83.534 -3.776 13.666 1.00 0.00 H new ATOM 0 HG21 THR A 57 83.848 -7.192 12.623 1.00 0.00 H new ATOM 0 HG22 THR A 57 85.278 -6.778 11.648 1.00 0.00 H new ATOM 0 HG23 THR A 57 85.295 -6.513 13.407 1.00 0.00 H new ATOM 804 N SER A 58 84.695 -2.013 11.025 1.00 0.00 N ATOM 805 CA SER A 58 84.133 -0.634 10.962 1.00 0.00 C ATOM 806 C SER A 58 82.651 -0.741 10.612 1.00 0.00 C ATOM 807 O SER A 58 82.210 -1.742 10.092 1.00 0.00 O ATOM 808 CB SER A 58 84.854 0.166 9.877 1.00 0.00 C ATOM 809 OG SER A 58 84.508 -0.357 8.601 1.00 0.00 O ATOM 0 H SER A 58 85.044 -2.378 10.139 1.00 0.00 H new ATOM 0 HA SER A 58 84.263 -0.130 11.920 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.576 1.218 9.939 1.00 0.00 H new ATOM 0 HB3 SER A 58 85.933 0.112 10.025 1.00 0.00 H new ATOM 0 HG SER A 58 84.967 0.154 7.902 1.00 0.00 H new ATOM 815 N ASN A 59 81.873 0.269 10.883 1.00 0.00 N ATOM 816 CA ASN A 59 80.421 0.185 10.542 1.00 0.00 C ATOM 817 C ASN A 59 79.864 1.583 10.283 1.00 0.00 C ATOM 818 O ASN A 59 79.789 2.404 11.176 1.00 0.00 O ATOM 819 CB ASN A 59 79.670 -0.445 11.717 1.00 0.00 C ATOM 820 CG ASN A 59 79.883 0.406 12.969 1.00 0.00 C ATOM 821 OD1 ASN A 59 79.073 1.254 13.286 1.00 0.00 O ATOM 822 ND2 ASN A 59 80.951 0.219 13.696 1.00 0.00 N ATOM 0 H ASN A 59 82.172 1.140 11.321 1.00 0.00 H new ATOM 0 HA ASN A 59 80.295 -0.422 9.646 1.00 0.00 H new ATOM 0 HB2 ASN A 59 78.607 -0.515 11.488 1.00 0.00 H new ATOM 0 HB3 ASN A 59 80.027 -1.461 11.889 1.00 0.00 H new ATOM 0 HD21 ASN A 59 81.105 0.785 14.530 1.00 0.00 H new ATOM 0 HD22 ASN A 59 81.631 -0.493 13.430 1.00 0.00 H new ATOM 829 N PHE A 60 79.445 1.851 9.068 1.00 0.00 N ATOM 830 CA PHE A 60 78.858 3.185 8.740 1.00 0.00 C ATOM 831 C PHE A 60 77.414 2.988 8.295 1.00 0.00 C ATOM 832 O PHE A 60 77.127 2.210 7.407 1.00 0.00 O ATOM 833 CB PHE A 60 79.639 3.845 7.609 1.00 0.00 C ATOM 834 CG PHE A 60 79.228 5.297 7.501 1.00 0.00 C ATOM 835 CD1 PHE A 60 78.058 5.647 6.816 1.00 0.00 C ATOM 836 CD2 PHE A 60 80.013 6.291 8.098 1.00 0.00 C ATOM 837 CE1 PHE A 60 77.676 6.992 6.727 1.00 0.00 C ATOM 838 CE2 PHE A 60 79.629 7.634 8.009 1.00 0.00 C ATOM 839 CZ PHE A 60 78.461 7.984 7.323 1.00 0.00 C ATOM 0 H PHE A 60 79.486 1.197 8.286 1.00 0.00 H new ATOM 0 HA PHE A 60 78.904 3.824 9.622 1.00 0.00 H new ATOM 0 HB2 PHE A 60 80.710 3.771 7.799 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.446 3.329 6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 60 77.451 4.881 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 60 80.915 6.021 8.627 1.00 0.00 H new ATOM 0 HE1 PHE A 60 76.774 7.263 6.198 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.235 8.400 8.470 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.166 9.020 7.254 1.00 0.00 H new ATOM 849 N LYS A 61 76.516 3.703 8.898 1.00 0.00 N ATOM 850 CA LYS A 61 75.077 3.613 8.539 1.00 0.00 C ATOM 851 C LYS A 61 74.650 4.961 7.973 1.00 0.00 C ATOM 852 O LYS A 61 75.125 6.001 8.385 1.00 0.00 O ATOM 853 CB LYS A 61 74.254 3.283 9.785 1.00 0.00 C ATOM 854 CG LYS A 61 72.775 3.168 9.410 1.00 0.00 C ATOM 855 CD LYS A 61 71.968 2.758 10.644 1.00 0.00 C ATOM 856 CE LYS A 61 70.486 2.646 10.277 1.00 0.00 C ATOM 857 NZ LYS A 61 69.669 2.606 11.524 1.00 0.00 N ATOM 0 H LYS A 61 76.723 4.365 9.646 1.00 0.00 H new ATOM 0 HA LYS A 61 74.915 2.827 7.801 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.601 2.348 10.225 1.00 0.00 H new ATOM 0 HB3 LYS A 61 74.389 4.059 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 61 72.411 4.120 9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 61 72.646 2.432 8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 61 72.331 1.804 11.027 1.00 0.00 H new ATOM 0 HD3 LYS A 61 72.101 3.492 11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 61 70.188 3.494 9.661 1.00 0.00 H new ATOM 0 HE3 LYS A 61 70.313 1.746 9.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 68.662 2.530 11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 69.948 1.783 12.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 69.827 3.477 12.070 1.00 0.00 H new ATOM 871 N GLY A 62 73.766 4.952 7.033 1.00 0.00 N ATOM 872 CA GLY A 62 73.307 6.235 6.430 1.00 0.00 C ATOM 873 C GLY A 62 72.078 5.986 5.556 1.00 0.00 C ATOM 874 O GLY A 62 71.710 4.860 5.290 1.00 0.00 O ATOM 0 H GLY A 62 73.334 4.112 6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 62 73.067 6.951 7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 62 74.107 6.673 5.833 1.00 0.00 H new ATOM 878 N VAL A 63 71.434 7.040 5.115 1.00 0.00 N ATOM 879 CA VAL A 63 70.212 6.894 4.261 1.00 0.00 C ATOM 880 C VAL A 63 70.524 7.357 2.836 1.00 0.00 C ATOM 881 O VAL A 63 71.017 8.446 2.621 1.00 0.00 O ATOM 882 CB VAL A 63 69.092 7.757 4.851 1.00 0.00 C ATOM 883 CG1 VAL A 63 67.825 7.624 4.001 1.00 0.00 C ATOM 884 CG2 VAL A 63 68.800 7.290 6.279 1.00 0.00 C ATOM 0 H VAL A 63 71.705 8.003 5.312 1.00 0.00 H new ATOM 0 HA VAL A 63 69.899 5.850 4.235 1.00 0.00 H new ATOM 0 HB VAL A 63 69.406 8.801 4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 63 67.034 8.241 4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.033 7.954 2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.505 6.582 3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 63 68.004 7.900 6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.489 6.246 6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 63 69.700 7.392 6.886 1.00 0.00 H new ATOM 894 N VAL A 64 70.242 6.537 1.855 1.00 0.00 N ATOM 895 CA VAL A 64 70.525 6.931 0.442 1.00 0.00 C ATOM 896 C VAL A 64 69.270 7.553 -0.176 1.00 0.00 C ATOM 897 O VAL A 64 68.249 6.905 -0.310 1.00 0.00 O ATOM 898 CB VAL A 64 70.914 5.687 -0.366 1.00 0.00 C ATOM 899 CG1 VAL A 64 71.049 6.054 -1.847 1.00 0.00 C ATOM 900 CG2 VAL A 64 72.250 5.142 0.142 1.00 0.00 C ATOM 0 H VAL A 64 69.828 5.612 1.972 1.00 0.00 H new ATOM 0 HA VAL A 64 71.341 7.653 0.426 1.00 0.00 H new ATOM 0 HB VAL A 64 70.141 4.928 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.326 5.168 -2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.098 6.440 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 64 71.820 6.816 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.525 4.258 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.021 5.904 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 64 72.157 4.875 1.195 1.00 0.00 H new ATOM 910 N THR A 65 69.353 8.802 -0.570 1.00 0.00 N ATOM 911 CA THR A 65 68.185 9.489 -1.207 1.00 0.00 C ATOM 912 C THR A 65 68.643 10.056 -2.558 1.00 0.00 C ATOM 913 O THR A 65 69.781 10.465 -2.696 1.00 0.00 O ATOM 914 CB THR A 65 67.709 10.636 -0.307 1.00 0.00 C ATOM 915 OG1 THR A 65 68.598 11.738 -0.436 1.00 0.00 O ATOM 916 CG2 THR A 65 67.683 10.164 1.148 1.00 0.00 C ATOM 0 H THR A 65 70.188 9.380 -0.476 1.00 0.00 H new ATOM 0 HA THR A 65 67.364 8.786 -1.348 1.00 0.00 H new ATOM 0 HB THR A 65 66.707 10.943 -0.605 1.00 0.00 H new ATOM 0 HG1 THR A 65 68.294 12.472 0.137 1.00 0.00 H new ATOM 0 HG21 THR A 65 67.345 10.978 1.789 1.00 0.00 H new ATOM 0 HG22 THR A 65 67.001 9.319 1.244 1.00 0.00 H new ATOM 0 HG23 THR A 65 68.685 9.858 1.449 1.00 0.00 H new ATOM 924 N PRO A 66 67.783 10.086 -3.549 1.00 0.00 N ATOM 925 CA PRO A 66 68.134 10.615 -4.894 1.00 0.00 C ATOM 926 C PRO A 66 69.092 11.812 -4.833 1.00 0.00 C ATOM 927 O PRO A 66 69.850 12.052 -5.752 1.00 0.00 O ATOM 928 CB PRO A 66 66.776 11.032 -5.464 1.00 0.00 C ATOM 929 CG PRO A 66 65.794 10.070 -4.862 1.00 0.00 C ATOM 930 CD PRO A 66 66.382 9.621 -3.510 1.00 0.00 C ATOM 0 HA PRO A 66 68.662 9.878 -5.499 1.00 0.00 H new ATOM 0 HB2 PRO A 66 66.535 12.061 -5.198 1.00 0.00 H new ATOM 0 HB3 PRO A 66 66.770 10.974 -6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 66 64.823 10.545 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 66 65.639 9.214 -5.519 1.00 0.00 H new ATOM 0 HD2 PRO A 66 65.839 10.062 -2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.325 8.539 -3.391 1.00 0.00 H new ATOM 938 N SER A 67 69.056 12.567 -3.761 1.00 0.00 N ATOM 939 CA SER A 67 69.957 13.758 -3.634 1.00 0.00 C ATOM 940 C SER A 67 71.081 13.478 -2.625 1.00 0.00 C ATOM 941 O SER A 67 72.014 14.247 -2.512 1.00 0.00 O ATOM 942 CB SER A 67 69.134 14.958 -3.149 1.00 0.00 C ATOM 943 OG SER A 67 69.846 16.157 -3.428 1.00 0.00 O ATOM 0 H SER A 67 68.439 12.409 -2.965 1.00 0.00 H new ATOM 0 HA SER A 67 70.401 13.971 -4.606 1.00 0.00 H new ATOM 0 HB2 SER A 67 68.164 14.973 -3.645 1.00 0.00 H new ATOM 0 HB3 SER A 67 68.943 14.875 -2.079 1.00 0.00 H new ATOM 0 HG SER A 67 70.786 16.047 -3.172 1.00 0.00 H new ATOM 949 N THR A 68 70.999 12.395 -1.879 1.00 0.00 N ATOM 950 CA THR A 68 72.066 12.087 -0.863 1.00 0.00 C ATOM 951 C THR A 68 72.631 10.668 -1.069 1.00 0.00 C ATOM 952 O THR A 68 71.985 9.699 -0.722 1.00 0.00 O ATOM 953 CB THR A 68 71.445 12.142 0.535 1.00 0.00 C ATOM 954 OG1 THR A 68 70.898 13.434 0.761 1.00 0.00 O ATOM 955 CG2 THR A 68 72.518 11.846 1.584 1.00 0.00 C ATOM 0 H THR A 68 70.242 11.713 -1.929 1.00 0.00 H new ATOM 0 HA THR A 68 72.868 12.816 -0.975 1.00 0.00 H new ATOM 0 HB THR A 68 70.653 11.397 0.610 1.00 0.00 H new ATOM 0 HG1 THR A 68 70.499 13.468 1.655 1.00 0.00 H new ATOM 0 HG21 THR A 68 72.075 11.885 2.579 1.00 0.00 H new ATOM 0 HG22 THR A 68 72.932 10.853 1.410 1.00 0.00 H new ATOM 0 HG23 THR A 68 73.313 12.588 1.511 1.00 0.00 H new ATOM 963 N PRO A 69 73.838 10.530 -1.584 1.00 0.00 N ATOM 964 CA PRO A 69 74.479 9.201 -1.767 1.00 0.00 C ATOM 965 C PRO A 69 75.299 8.800 -0.530 1.00 0.00 C ATOM 966 O PRO A 69 75.641 9.633 0.287 1.00 0.00 O ATOM 967 CB PRO A 69 75.393 9.431 -2.970 1.00 0.00 C ATOM 968 CG PRO A 69 75.831 10.864 -2.852 1.00 0.00 C ATOM 969 CD PRO A 69 74.725 11.608 -2.070 1.00 0.00 C ATOM 0 HA PRO A 69 73.759 8.396 -1.911 1.00 0.00 H new ATOM 0 HB2 PRO A 69 76.247 8.754 -2.953 1.00 0.00 H new ATOM 0 HB3 PRO A 69 74.865 9.255 -3.907 1.00 0.00 H new ATOM 0 HG2 PRO A 69 76.786 10.934 -2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 69 75.972 11.307 -3.838 1.00 0.00 H new ATOM 0 HD2 PRO A 69 75.141 12.185 -1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 69 74.187 12.308 -2.709 1.00 0.00 H new ATOM 977 N VAL A 70 75.627 7.537 -0.392 1.00 0.00 N ATOM 978 CA VAL A 70 76.441 7.075 0.785 1.00 0.00 C ATOM 979 C VAL A 70 77.739 6.451 0.275 1.00 0.00 C ATOM 980 O VAL A 70 77.728 5.590 -0.580 1.00 0.00 O ATOM 981 CB VAL A 70 75.650 6.031 1.582 1.00 0.00 C ATOM 982 CG1 VAL A 70 76.543 5.427 2.669 1.00 0.00 C ATOM 983 CG2 VAL A 70 74.445 6.705 2.242 1.00 0.00 C ATOM 0 H VAL A 70 75.366 6.800 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 70 76.666 7.923 1.432 1.00 0.00 H new ATOM 0 HB VAL A 70 75.312 5.243 0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 70 75.978 4.685 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 70 77.407 4.950 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 70 76.881 6.215 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.880 5.965 2.810 1.00 0.00 H new ATOM 0 HG22 VAL A 70 74.790 7.491 2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 70 73.805 7.139 1.474 1.00 0.00 H new ATOM 993 N ASN A 71 78.864 6.889 0.786 1.00 0.00 N ATOM 994 CA ASN A 71 80.173 6.336 0.321 1.00 0.00 C ATOM 995 C ASN A 71 80.704 5.316 1.332 1.00 0.00 C ATOM 996 O ASN A 71 80.704 5.557 2.523 1.00 0.00 O ATOM 997 CB ASN A 71 81.188 7.478 0.204 1.00 0.00 C ATOM 998 CG ASN A 71 80.780 8.414 -0.934 1.00 0.00 C ATOM 999 OD1 ASN A 71 80.017 8.040 -1.801 1.00 0.00 O ATOM 1000 ND2 ASN A 71 81.267 9.624 -0.972 1.00 0.00 N ATOM 0 H ASN A 71 78.931 7.607 1.507 1.00 0.00 H new ATOM 0 HA ASN A 71 80.029 5.852 -0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 71 81.238 8.031 1.142 1.00 0.00 H new ATOM 0 HB3 ASN A 71 82.184 7.075 0.018 1.00 0.00 H new ATOM 0 HD21 ASN A 71 81.007 10.255 -1.730 1.00 0.00 H new ATOM 0 HD22 ASN A 71 81.908 9.939 -0.244 1.00 0.00 H new ATOM 1007 N THR A 72 81.184 4.190 0.868 1.00 0.00 N ATOM 1008 CA THR A 72 81.758 3.152 1.786 1.00 0.00 C ATOM 1009 C THR A 72 83.279 3.208 1.609 1.00 0.00 C ATOM 1010 O THR A 72 83.999 2.277 1.910 1.00 0.00 O ATOM 1011 CB THR A 72 81.228 1.750 1.391 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.299 0.943 0.925 1.00 0.00 O ATOM 1013 CG2 THR A 72 80.181 1.871 0.278 1.00 0.00 C ATOM 0 H THR A 72 81.204 3.940 -0.121 1.00 0.00 H new ATOM 0 HA THR A 72 81.475 3.338 2.822 1.00 0.00 H new ATOM 0 HB THR A 72 80.773 1.294 2.270 1.00 0.00 H new ATOM 0 HG1 THR A 72 82.695 0.458 1.679 1.00 0.00 H new ATOM 0 HG21 THR A 72 79.818 0.879 0.011 1.00 0.00 H new ATOM 0 HG22 THR A 72 79.348 2.481 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 72 80.632 2.340 -0.597 1.00 0.00 H new ATOM 1021 N ASN A 73 83.751 4.307 1.089 1.00 0.00 N ATOM 1022 CA ASN A 73 85.208 4.482 0.834 1.00 0.00 C ATOM 1023 C ASN A 73 85.996 4.473 2.147 1.00 0.00 C ATOM 1024 O ASN A 73 86.902 5.259 2.342 1.00 0.00 O ATOM 1025 CB ASN A 73 85.418 5.816 0.120 1.00 0.00 C ATOM 1026 CG ASN A 73 84.476 5.897 -1.081 1.00 0.00 C ATOM 1027 OD1 ASN A 73 83.746 4.863 -1.386 1.00 0.00 O flip ATOM 1028 ND2 ASN A 73 84.400 6.913 -1.743 1.00 0.00 N flip ATOM 0 H ASN A 73 83.176 5.107 0.825 1.00 0.00 H new ATOM 0 HA ASN A 73 85.566 3.658 0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 73 85.226 6.642 0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 73 86.453 5.908 -0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 73 84.973 7.722 -1.503 1.00 0.00 H new ATOM 0 HD22 ASN A 73 83.764 6.957 -2.539 1.00 0.00 H new ATOM 1035 N GLN A 74 85.673 3.584 3.041 1.00 0.00 N ATOM 1036 CA GLN A 74 86.419 3.521 4.327 1.00 0.00 C ATOM 1037 C GLN A 74 87.921 3.458 4.033 1.00 0.00 C ATOM 1038 O GLN A 74 88.334 3.303 2.902 1.00 0.00 O ATOM 1039 CB GLN A 74 85.995 2.276 5.104 1.00 0.00 C ATOM 1040 CG GLN A 74 84.507 2.373 5.452 1.00 0.00 C ATOM 1041 CD GLN A 74 84.285 3.523 6.436 1.00 0.00 C ATOM 1042 OE1 GLN A 74 83.737 4.545 6.079 1.00 0.00 O ATOM 1043 NE2 GLN A 74 84.690 3.397 7.672 1.00 0.00 N ATOM 0 H GLN A 74 84.925 2.898 2.938 1.00 0.00 H new ATOM 0 HA GLN A 74 86.199 4.407 4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 74 86.183 1.382 4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 74 86.587 2.183 6.015 1.00 0.00 H new ATOM 0 HG2 GLN A 74 83.921 2.537 4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 74 84.163 1.435 5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 74 85.151 2.538 7.973 1.00 0.00 H new ATOM 0 HE22 GLN A 74 84.545 4.158 8.336 1.00 0.00 H new ATOM 1052 N ASP A 75 88.743 3.593 5.037 1.00 0.00 N ATOM 1053 CA ASP A 75 90.215 3.556 4.800 1.00 0.00 C ATOM 1054 C ASP A 75 90.580 2.284 4.026 1.00 0.00 C ATOM 1055 O ASP A 75 90.439 1.182 4.519 1.00 0.00 O ATOM 1056 CB ASP A 75 90.939 3.563 6.146 1.00 0.00 C ATOM 1057 CG ASP A 75 90.723 4.914 6.831 1.00 0.00 C ATOM 1058 OD1 ASP A 75 90.272 5.830 6.164 1.00 0.00 O ATOM 1059 OD2 ASP A 75 91.005 5.006 8.015 1.00 0.00 O ATOM 0 H ASP A 75 88.461 3.727 6.008 1.00 0.00 H new ATOM 0 HA ASP A 75 90.515 4.427 4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 75 90.563 2.758 6.778 1.00 0.00 H new ATOM 0 HB3 ASP A 75 92.004 3.383 6.000 1.00 0.00 H new ATOM 1064 N ILE A 76 91.044 2.433 2.811 1.00 0.00 N ATOM 1065 CA ILE A 76 91.416 1.242 1.987 1.00 0.00 C ATOM 1066 C ILE A 76 92.859 0.826 2.279 1.00 0.00 C ATOM 1067 O ILE A 76 93.272 -0.272 1.957 1.00 0.00 O ATOM 1068 CB ILE A 76 91.256 1.587 0.503 1.00 0.00 C ATOM 1069 CG1 ILE A 76 89.776 1.863 0.219 1.00 0.00 C ATOM 1070 CG2 ILE A 76 91.737 0.415 -0.359 1.00 0.00 C ATOM 1071 CD1 ILE A 76 89.613 2.387 -1.207 1.00 0.00 C ATOM 0 H ILE A 76 91.182 3.333 2.352 1.00 0.00 H new ATOM 0 HA ILE A 76 90.760 0.409 2.239 1.00 0.00 H new ATOM 0 HB ILE A 76 91.852 2.468 0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 76 89.195 0.950 0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 76 89.389 2.592 0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 76 91.621 0.667 -1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 76 92.787 0.215 -0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 76 91.146 -0.472 -0.130 1.00 0.00 H new ATOM 0 HD11 ILE A 76 88.559 2.582 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 76 90.181 3.310 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 76 89.983 1.643 -1.913 1.00 0.00 H new ATOM 1083 N ASN A 77 93.631 1.679 2.891 1.00 0.00 N ATOM 1084 CA ASN A 77 95.036 1.297 3.194 1.00 0.00 C ATOM 1085 C ASN A 77 95.005 0.061 4.088 1.00 0.00 C ATOM 1086 O ASN A 77 95.799 -0.842 3.941 1.00 0.00 O ATOM 1087 CB ASN A 77 95.754 2.440 3.921 1.00 0.00 C ATOM 1088 CG ASN A 77 95.980 3.604 2.957 1.00 0.00 C ATOM 1089 OD1 ASN A 77 95.953 3.429 1.755 1.00 0.00 O ATOM 1090 ND2 ASN A 77 96.211 4.794 3.439 1.00 0.00 N ATOM 0 H ASN A 77 93.354 2.614 3.191 1.00 0.00 H new ATOM 0 HA ASN A 77 95.573 1.089 2.268 1.00 0.00 H new ATOM 0 HB2 ASN A 77 95.160 2.771 4.773 1.00 0.00 H new ATOM 0 HB3 ASN A 77 96.709 2.091 4.314 1.00 0.00 H new ATOM 0 HD21 ASN A 77 96.369 5.579 2.807 1.00 0.00 H new ATOM 0 HD22 ASN A 77 96.233 4.940 4.448 1.00 0.00 H new ATOM 1097 N LYS A 78 94.090 0.022 5.012 1.00 0.00 N ATOM 1098 CA LYS A 78 93.977 -1.153 5.924 1.00 0.00 C ATOM 1099 C LYS A 78 93.637 -2.397 5.113 1.00 0.00 C ATOM 1100 O LYS A 78 94.228 -3.449 5.253 1.00 0.00 O ATOM 1101 CB LYS A 78 92.801 -0.923 6.865 1.00 0.00 C ATOM 1102 CG LYS A 78 92.932 0.418 7.552 1.00 0.00 C ATOM 1103 CD LYS A 78 91.682 0.637 8.397 1.00 0.00 C ATOM 1104 CE LYS A 78 91.746 1.994 9.103 1.00 0.00 C ATOM 1105 NZ LYS A 78 90.364 2.432 9.444 1.00 0.00 N ATOM 0 H LYS A 78 93.407 0.761 5.178 1.00 0.00 H new ATOM 0 HA LYS A 78 94.917 -1.278 6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 78 91.866 -0.963 6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 78 92.761 -1.718 7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 78 93.824 0.440 8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 78 93.039 1.215 6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 78 90.795 0.590 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 78 91.590 -0.160 9.135 1.00 0.00 H new ATOM 0 HE2 LYS A 78 92.351 1.919 10.007 1.00 0.00 H new ATOM 0 HE3 LYS A 78 92.226 2.731 8.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 90.179 3.361 9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 89.680 1.739 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 90.267 2.502 10.477 1.00 0.00 H new ATOM 1119 N THR A 79 92.633 -2.264 4.299 1.00 0.00 N ATOM 1120 CA THR A 79 92.138 -3.398 3.481 1.00 0.00 C ATOM 1121 C THR A 79 93.247 -3.918 2.555 1.00 0.00 C ATOM 1122 O THR A 79 93.534 -5.090 2.530 1.00 0.00 O ATOM 1123 CB THR A 79 90.895 -2.888 2.716 1.00 0.00 C ATOM 1124 OG1 THR A 79 89.738 -3.508 3.255 1.00 0.00 O ATOM 1125 CG2 THR A 79 90.968 -3.183 1.209 1.00 0.00 C ATOM 0 H THR A 79 92.121 -1.392 4.164 1.00 0.00 H new ATOM 0 HA THR A 79 91.854 -4.251 4.098 1.00 0.00 H new ATOM 0 HB THR A 79 90.854 -1.805 2.835 1.00 0.00 H new ATOM 0 HG1 THR A 79 88.936 -3.077 2.892 1.00 0.00 H new ATOM 0 HG21 THR A 79 90.071 -2.804 0.720 1.00 0.00 H new ATOM 0 HG22 THR A 79 91.846 -2.695 0.785 1.00 0.00 H new ATOM 0 HG23 THR A 79 91.040 -4.259 1.052 1.00 0.00 H new ATOM 1133 N ASN A 80 93.891 -3.075 1.817 1.00 0.00 N ATOM 1134 CA ASN A 80 94.984 -3.577 0.937 1.00 0.00 C ATOM 1135 C ASN A 80 96.075 -4.210 1.807 1.00 0.00 C ATOM 1136 O ASN A 80 96.698 -5.185 1.435 1.00 0.00 O ATOM 1137 CB ASN A 80 95.570 -2.421 0.121 1.00 0.00 C ATOM 1138 CG ASN A 80 94.547 -1.966 -0.919 1.00 0.00 C ATOM 1139 OD1 ASN A 80 93.638 -2.699 -1.254 1.00 0.00 O ATOM 1140 ND2 ASN A 80 94.660 -0.780 -1.453 1.00 0.00 N ATOM 0 H ASN A 80 93.717 -2.071 1.779 1.00 0.00 H new ATOM 0 HA ASN A 80 94.587 -4.323 0.249 1.00 0.00 H new ATOM 0 HB2 ASN A 80 95.830 -1.592 0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 80 96.489 -2.738 -0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 80 93.985 -0.469 -2.152 1.00 0.00 H new ATOM 0 HD22 ASN A 80 95.423 -0.165 -1.172 1.00 0.00 H new ATOM 1147 N LYS A 81 96.314 -3.650 2.956 1.00 0.00 N ATOM 1148 CA LYS A 81 97.369 -4.191 3.859 1.00 0.00 C ATOM 1149 C LYS A 81 97.001 -5.591 4.360 1.00 0.00 C ATOM 1150 O LYS A 81 97.812 -6.495 4.315 1.00 0.00 O ATOM 1151 CB LYS A 81 97.520 -3.261 5.065 1.00 0.00 C ATOM 1152 CG LYS A 81 98.689 -3.726 5.944 1.00 0.00 C ATOM 1153 CD LYS A 81 98.707 -2.905 7.231 1.00 0.00 C ATOM 1154 CE LYS A 81 99.903 -3.326 8.088 1.00 0.00 C ATOM 1155 NZ LYS A 81 100.136 -2.310 9.155 1.00 0.00 N ATOM 0 H LYS A 81 95.820 -2.832 3.314 1.00 0.00 H new ATOM 0 HA LYS A 81 98.302 -4.253 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 81 97.692 -2.239 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 81 96.598 -3.253 5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 81 98.586 -4.786 6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 81 99.631 -3.607 5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 81 98.770 -1.842 6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 81 97.779 -3.055 7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 81 99.717 -4.302 8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 81 100.792 -3.425 7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 100.949 -2.597 9.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 100.332 -1.387 8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 99.290 -2.237 9.755 1.00 0.00 H new ATOM 1169 N VAL A 82 95.803 -5.772 4.878 1.00 0.00 N ATOM 1170 CA VAL A 82 95.410 -7.115 5.432 1.00 0.00 C ATOM 1171 C VAL A 82 94.253 -7.742 4.632 1.00 0.00 C ATOM 1172 O VAL A 82 94.096 -8.947 4.608 1.00 0.00 O ATOM 1173 CB VAL A 82 95.017 -6.943 6.909 1.00 0.00 C ATOM 1174 CG1 VAL A 82 95.993 -5.988 7.592 1.00 0.00 C ATOM 1175 CG2 VAL A 82 93.609 -6.360 7.048 1.00 0.00 C ATOM 0 H VAL A 82 95.084 -5.052 4.941 1.00 0.00 H new ATOM 0 HA VAL A 82 96.258 -7.794 5.349 1.00 0.00 H new ATOM 0 HB VAL A 82 95.045 -7.928 7.374 1.00 0.00 H new ATOM 0 HG11 VAL A 82 95.712 -5.868 8.638 1.00 0.00 H new ATOM 0 HG12 VAL A 82 97.002 -6.395 7.531 1.00 0.00 H new ATOM 0 HG13 VAL A 82 95.962 -5.019 7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 82 93.363 -6.251 8.104 1.00 0.00 H new ATOM 0 HG22 VAL A 82 93.570 -5.384 6.564 1.00 0.00 H new ATOM 0 HG23 VAL A 82 92.890 -7.029 6.575 1.00 0.00 H new ATOM 1185 N GLY A 83 93.450 -6.952 3.973 1.00 0.00 N ATOM 1186 CA GLY A 83 92.325 -7.520 3.174 1.00 0.00 C ATOM 1187 C GLY A 83 91.066 -7.599 4.027 1.00 0.00 C ATOM 1188 O GLY A 83 91.100 -7.467 5.235 1.00 0.00 O ATOM 0 H GLY A 83 93.524 -5.935 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 83 92.141 -6.899 2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 83 92.591 -8.513 2.811 1.00 0.00 H new ATOM 1192 N VAL A 84 89.955 -7.817 3.391 1.00 0.00 N ATOM 1193 CA VAL A 84 88.651 -7.914 4.119 1.00 0.00 C ATOM 1194 C VAL A 84 88.201 -9.372 4.143 1.00 0.00 C ATOM 1195 O VAL A 84 88.156 -10.031 3.123 1.00 0.00 O ATOM 1196 CB VAL A 84 87.603 -7.087 3.377 1.00 0.00 C ATOM 1197 CG1 VAL A 84 86.277 -7.120 4.138 1.00 0.00 C ATOM 1198 CG2 VAL A 84 88.091 -5.646 3.249 1.00 0.00 C ATOM 0 H VAL A 84 89.887 -7.935 2.380 1.00 0.00 H new ATOM 0 HA VAL A 84 88.768 -7.542 5.137 1.00 0.00 H new ATOM 0 HB VAL A 84 87.450 -7.508 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.535 -6.528 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 84 85.930 -8.150 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.420 -6.706 5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 84 87.344 -5.055 2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 84 88.249 -5.226 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 84 89.029 -5.627 2.694 1.00 0.00 H new ATOM 1208 N GLN A 85 87.874 -9.893 5.293 1.00 0.00 N ATOM 1209 CA GLN A 85 87.438 -11.315 5.355 1.00 0.00 C ATOM 1210 C GLN A 85 85.970 -11.428 4.929 1.00 0.00 C ATOM 1211 O GLN A 85 85.662 -12.019 3.913 1.00 0.00 O ATOM 1212 CB GLN A 85 87.592 -11.836 6.786 1.00 0.00 C ATOM 1213 CG GLN A 85 87.441 -13.362 6.790 1.00 0.00 C ATOM 1214 CD GLN A 85 87.462 -13.879 8.230 1.00 0.00 C ATOM 1215 OE1 GLN A 85 86.956 -13.234 9.126 1.00 0.00 O ATOM 1216 NE2 GLN A 85 88.022 -15.029 8.489 1.00 0.00 N ATOM 0 H GLN A 85 87.890 -9.400 6.186 1.00 0.00 H new ATOM 0 HA GLN A 85 88.056 -11.908 4.681 1.00 0.00 H new ATOM 0 HB2 GLN A 85 88.567 -11.555 7.185 1.00 0.00 H new ATOM 0 HB3 GLN A 85 86.840 -11.383 7.433 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.507 -13.646 6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 85 88.249 -13.818 6.218 1.00 0.00 H new ATOM 0 HE21 GLN A 85 88.447 -15.570 7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 85 88.035 -15.386 9.444 1.00 0.00 H new ATOM 1225 N LYS A 86 85.058 -10.879 5.704 1.00 0.00 N ATOM 1226 CA LYS A 86 83.597 -10.965 5.357 1.00 0.00 C ATOM 1227 C LYS A 86 83.011 -9.574 5.094 1.00 0.00 C ATOM 1228 O LYS A 86 83.311 -8.620 5.782 1.00 0.00 O ATOM 1229 CB LYS A 86 82.842 -11.602 6.524 1.00 0.00 C ATOM 1230 CG LYS A 86 83.220 -13.078 6.627 1.00 0.00 C ATOM 1231 CD LYS A 86 82.465 -13.718 7.795 1.00 0.00 C ATOM 1232 CE LYS A 86 82.842 -15.195 7.900 1.00 0.00 C ATOM 1233 NZ LYS A 86 82.814 -15.818 6.546 1.00 0.00 N ATOM 0 H LYS A 86 85.264 -10.373 6.565 1.00 0.00 H new ATOM 0 HA LYS A 86 83.493 -11.567 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.085 -11.087 7.453 1.00 0.00 H new ATOM 0 HB3 LYS A 86 81.767 -11.500 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 86 82.977 -13.592 5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 86 84.295 -13.180 6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 86 82.708 -13.203 8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 86 81.390 -13.616 7.646 1.00 0.00 H new ATOM 0 HE2 LYS A 86 83.835 -15.297 8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 86 82.148 -15.711 8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 82.647 -16.840 6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 82.050 -15.392 5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 83.725 -15.657 6.071 1.00 0.00 H new ATOM 1247 N TYR A 87 82.146 -9.468 4.112 1.00 0.00 N ATOM 1248 CA TYR A 87 81.483 -8.161 3.791 1.00 0.00 C ATOM 1249 C TYR A 87 79.968 -8.349 3.915 1.00 0.00 C ATOM 1250 O TYR A 87 79.422 -9.311 3.410 1.00 0.00 O ATOM 1251 CB TYR A 87 81.840 -7.744 2.363 1.00 0.00 C ATOM 1252 CG TYR A 87 81.137 -6.451 2.024 1.00 0.00 C ATOM 1253 CD1 TYR A 87 81.746 -5.225 2.316 1.00 0.00 C ATOM 1254 CD2 TYR A 87 79.877 -6.478 1.412 1.00 0.00 C ATOM 1255 CE1 TYR A 87 81.096 -4.027 1.996 1.00 0.00 C ATOM 1256 CE2 TYR A 87 79.229 -5.279 1.093 1.00 0.00 C ATOM 1257 CZ TYR A 87 79.839 -4.054 1.386 1.00 0.00 C ATOM 1258 OH TYR A 87 79.201 -2.872 1.073 1.00 0.00 O ATOM 0 H TYR A 87 81.867 -10.243 3.510 1.00 0.00 H new ATOM 0 HA TYR A 87 81.821 -7.385 4.478 1.00 0.00 H new ATOM 0 HB2 TYR A 87 82.919 -7.619 2.268 1.00 0.00 H new ATOM 0 HB3 TYR A 87 81.547 -8.525 1.661 1.00 0.00 H new ATOM 0 HD1 TYR A 87 82.717 -5.203 2.788 1.00 0.00 H new ATOM 0 HD2 TYR A 87 79.406 -7.423 1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 87 81.566 -3.081 2.221 1.00 0.00 H new ATOM 0 HE2 TYR A 87 78.258 -5.299 0.621 1.00 0.00 H new ATOM 0 HH TYR A 87 78.274 -3.059 0.816 1.00 0.00 H new ATOM 1268 N ARG A 88 79.279 -7.451 4.588 1.00 0.00 N ATOM 1269 CA ARG A 88 77.791 -7.605 4.745 1.00 0.00 C ATOM 1270 C ARG A 88 77.080 -6.262 4.531 1.00 0.00 C ATOM 1271 O ARG A 88 77.429 -5.256 5.117 1.00 0.00 O ATOM 1272 CB ARG A 88 77.483 -8.117 6.157 1.00 0.00 C ATOM 1273 CG ARG A 88 77.989 -9.555 6.296 1.00 0.00 C ATOM 1274 CD ARG A 88 77.691 -10.084 7.703 1.00 0.00 C ATOM 1275 NE ARG A 88 78.382 -9.228 8.721 1.00 0.00 N ATOM 1276 CZ ARG A 88 77.736 -8.296 9.384 1.00 0.00 C ATOM 1277 NH1 ARG A 88 76.470 -8.060 9.152 1.00 0.00 N ATOM 1278 NH2 ARG A 88 78.369 -7.591 10.283 1.00 0.00 N ATOM 0 H ARG A 88 79.679 -6.624 5.032 1.00 0.00 H new ATOM 0 HA ARG A 88 77.433 -8.314 3.999 1.00 0.00 H new ATOM 0 HB2 ARG A 88 77.960 -7.478 6.900 1.00 0.00 H new ATOM 0 HB3 ARG A 88 76.410 -8.077 6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 88 77.511 -10.191 5.551 1.00 0.00 H new ATOM 0 HG3 ARG A 88 79.061 -9.592 6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 88 76.616 -10.083 7.882 1.00 0.00 H new ATOM 0 HD3 ARG A 88 78.028 -11.117 7.793 1.00 0.00 H new ATOM 0 HE ARG A 88 79.375 -9.372 8.903 1.00 0.00 H new ATOM 0 HH11 ARG A 88 75.971 -8.603 8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 88 75.983 -7.333 9.675 1.00 0.00 H new ATOM 0 HH21 ARG A 88 79.357 -7.766 10.466 1.00 0.00 H new ATOM 0 HH22 ARG A 88 77.875 -6.865 10.803 1.00 0.00 H new ATOM 1292 N ALA A 89 76.069 -6.257 3.696 1.00 0.00 N ATOM 1293 CA ALA A 89 75.289 -5.007 3.422 1.00 0.00 C ATOM 1294 C ALA A 89 73.811 -5.258 3.734 1.00 0.00 C ATOM 1295 O ALA A 89 73.260 -6.277 3.368 1.00 0.00 O ATOM 1296 CB ALA A 89 75.441 -4.627 1.946 1.00 0.00 C ATOM 0 H ALA A 89 75.746 -7.078 3.185 1.00 0.00 H new ATOM 0 HA ALA A 89 75.663 -4.196 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.874 -3.718 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.494 -4.456 1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 89 75.063 -5.436 1.321 1.00 0.00 H new ATOM 1302 N LEU A 90 73.164 -4.333 4.409 1.00 0.00 N ATOM 1303 CA LEU A 90 71.712 -4.498 4.757 1.00 0.00 C ATOM 1304 C LEU A 90 70.900 -3.381 4.108 1.00 0.00 C ATOM 1305 O LEU A 90 71.231 -2.221 4.212 1.00 0.00 O ATOM 1306 CB LEU A 90 71.552 -4.438 6.285 1.00 0.00 C ATOM 1307 CG LEU A 90 71.852 -5.830 6.891 1.00 0.00 C ATOM 1308 CD1 LEU A 90 72.505 -5.683 8.269 1.00 0.00 C ATOM 1309 CD2 LEU A 90 70.551 -6.628 7.038 1.00 0.00 C ATOM 0 H LEU A 90 73.584 -3.463 4.737 1.00 0.00 H new ATOM 0 HA LEU A 90 71.352 -5.459 4.390 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.230 -3.694 6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 90 70.540 -4.128 6.543 1.00 0.00 H new ATOM 0 HG LEU A 90 72.534 -6.356 6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 90 72.710 -6.671 8.682 1.00 0.00 H new ATOM 0 HD12 LEU A 90 73.439 -5.130 8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 90 71.831 -5.144 8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 90 70.771 -7.606 7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 90 69.867 -6.091 7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 90 70.089 -6.755 6.059 1.00 0.00 H new ATOM 1321 N THR A 91 69.839 -3.738 3.433 1.00 0.00 N ATOM 1322 CA THR A 91 68.981 -2.711 2.748 1.00 0.00 C ATOM 1323 C THR A 91 67.507 -2.893 3.134 1.00 0.00 C ATOM 1324 O THR A 91 66.935 -3.954 2.985 1.00 0.00 O ATOM 1325 CB THR A 91 69.125 -2.868 1.234 1.00 0.00 C ATOM 1326 OG1 THR A 91 68.971 -4.236 0.884 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.503 -2.378 0.795 1.00 0.00 C ATOM 0 H THR A 91 69.523 -4.702 3.323 1.00 0.00 H new ATOM 0 HA THR A 91 69.306 -1.718 3.059 1.00 0.00 H new ATOM 0 HB THR A 91 68.358 -2.277 0.734 1.00 0.00 H new ATOM 0 HG1 THR A 91 68.243 -4.628 1.410 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.603 -2.491 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.618 -1.327 1.062 1.00 0.00 H new ATOM 0 HG23 THR A 91 71.274 -2.965 1.294 1.00 0.00 H new ATOM 1335 N GLU A 92 66.902 -1.843 3.631 1.00 0.00 N ATOM 1336 CA GLU A 92 65.459 -1.904 4.044 1.00 0.00 C ATOM 1337 C GLU A 92 64.690 -0.698 3.498 1.00 0.00 C ATOM 1338 O GLU A 92 65.247 0.356 3.267 1.00 0.00 O ATOM 1339 CB GLU A 92 65.369 -1.909 5.572 1.00 0.00 C ATOM 1340 CG GLU A 92 65.890 -3.244 6.108 1.00 0.00 C ATOM 1341 CD GLU A 92 65.906 -3.215 7.635 1.00 0.00 C ATOM 1342 OE1 GLU A 92 65.542 -2.193 8.192 1.00 0.00 O ATOM 1343 OE2 GLU A 92 66.282 -4.215 8.222 1.00 0.00 O ATOM 0 H GLU A 92 67.347 -0.936 3.771 1.00 0.00 H new ATOM 0 HA GLU A 92 65.018 -2.815 3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 92 65.953 -1.086 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 92 64.337 -1.756 5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 92 65.258 -4.059 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 92 66.894 -3.433 5.728 1.00 0.00 H new ATOM 1350 N TRP A 93 63.403 -0.842 3.316 1.00 0.00 N ATOM 1351 CA TRP A 93 62.581 0.299 2.818 1.00 0.00 C ATOM 1352 C TRP A 93 62.501 1.352 3.931 1.00 0.00 C ATOM 1353 O TRP A 93 62.406 1.019 5.096 1.00 0.00 O ATOM 1354 CB TRP A 93 61.165 -0.185 2.479 1.00 0.00 C ATOM 1355 CG TRP A 93 61.148 -0.882 1.148 1.00 0.00 C ATOM 1356 CD1 TRP A 93 61.157 -2.222 0.968 1.00 0.00 C ATOM 1357 CD2 TRP A 93 61.100 -0.292 -0.184 1.00 0.00 C ATOM 1358 NE1 TRP A 93 61.114 -2.492 -0.390 1.00 0.00 N ATOM 1359 CE2 TRP A 93 61.078 -1.332 -1.142 1.00 0.00 C ATOM 1360 CE3 TRP A 93 61.073 1.033 -0.645 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 61.029 -1.064 -2.515 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 61.024 1.309 -2.022 1.00 0.00 C ATOM 1363 CH2 TRP A 93 61.001 0.262 -2.955 1.00 0.00 C ATOM 0 H TRP A 93 62.885 -1.703 3.491 1.00 0.00 H new ATOM 0 HA TRP A 93 63.035 0.721 1.921 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.811 -0.864 3.255 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.480 0.663 2.460 1.00 0.00 H new ATOM 0 HD1 TRP A 93 61.192 -2.961 1.755 1.00 0.00 H new ATOM 0 HE1 TRP A 93 61.109 -3.432 -0.787 1.00 0.00 H new ATOM 0 HE3 TRP A 93 61.090 1.847 0.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 61.013 -1.875 -3.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 61.004 2.333 -2.364 1.00 0.00 H new ATOM 0 HH2 TRP A 93 60.962 0.480 -4.012 1.00 0.00 H new ATOM 1374 N VAL A 94 62.542 2.617 3.584 1.00 0.00 N ATOM 1375 CA VAL A 94 62.475 3.702 4.620 1.00 0.00 C ATOM 1376 C VAL A 94 61.208 4.526 4.403 1.00 0.00 C ATOM 1377 O VAL A 94 61.005 5.110 3.352 1.00 0.00 O ATOM 1378 CB VAL A 94 63.703 4.610 4.494 1.00 0.00 C ATOM 1379 CG1 VAL A 94 63.716 5.633 5.636 1.00 0.00 C ATOM 1380 CG2 VAL A 94 64.972 3.760 4.575 1.00 0.00 C ATOM 0 H VAL A 94 62.619 2.948 2.622 1.00 0.00 H new ATOM 0 HA VAL A 94 62.457 3.256 5.615 1.00 0.00 H new ATOM 0 HB VAL A 94 63.663 5.132 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.592 6.275 5.540 1.00 0.00 H new ATOM 0 HG12 VAL A 94 62.813 6.242 5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 94 63.752 5.111 6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 94 65.847 4.403 4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 94 65.001 3.239 5.532 1.00 0.00 H new ATOM 0 HG23 VAL A 94 64.974 3.031 3.765 1.00 0.00 H new ATOM 1390 N GLY A 95 60.359 4.576 5.394 1.00 0.00 N ATOM 1391 CA GLY A 95 59.096 5.355 5.275 1.00 0.00 C ATOM 1392 C GLY A 95 58.108 4.873 6.338 1.00 0.00 C ATOM 1393 O GLY A 95 58.475 4.597 7.463 1.00 0.00 O ATOM 0 H GLY A 95 60.489 4.105 6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 95 59.297 6.419 5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 95 58.669 5.229 4.280 1.00 0.00 H new ATOM 1397 N SER A 96 56.854 4.768 5.994 1.00 0.00 N ATOM 1398 CA SER A 96 55.849 4.301 6.988 1.00 0.00 C ATOM 1399 C SER A 96 56.039 2.802 7.238 1.00 0.00 C ATOM 1400 O SER A 96 56.611 2.095 6.432 1.00 0.00 O ATOM 1401 CB SER A 96 54.442 4.557 6.449 1.00 0.00 C ATOM 1402 OG SER A 96 54.250 3.809 5.254 1.00 0.00 O ATOM 0 H SER A 96 56.483 4.985 5.069 1.00 0.00 H new ATOM 0 HA SER A 96 55.982 4.844 7.924 1.00 0.00 H new ATOM 0 HB2 SER A 96 53.698 4.272 7.193 1.00 0.00 H new ATOM 0 HB3 SER A 96 54.304 5.620 6.252 1.00 0.00 H new ATOM 0 HG SER A 96 53.347 3.971 4.908 1.00 0.00 H new ATOM 1408 N ARG A 97 55.562 2.313 8.352 1.00 0.00 N ATOM 1409 CA ARG A 97 55.711 0.860 8.663 1.00 0.00 C ATOM 1410 C ARG A 97 54.930 0.028 7.645 1.00 0.00 C ATOM 1411 O ARG A 97 53.833 0.375 7.258 1.00 0.00 O ATOM 1412 CB ARG A 97 55.154 0.582 10.059 1.00 0.00 C ATOM 1413 CG ARG A 97 56.071 1.203 11.114 1.00 0.00 C ATOM 1414 CD ARG A 97 55.503 0.917 12.504 1.00 0.00 C ATOM 1415 NE ARG A 97 54.140 1.514 12.609 1.00 0.00 N ATOM 1416 CZ ARG A 97 53.494 1.475 13.740 1.00 0.00 C ATOM 1417 NH1 ARG A 97 54.022 0.883 14.773 1.00 0.00 N ATOM 1418 NH2 ARG A 97 52.314 2.022 13.832 1.00 0.00 N ATOM 0 H ARG A 97 55.074 2.859 9.062 1.00 0.00 H new ATOM 0 HA ARG A 97 56.767 0.592 8.620 1.00 0.00 H new ATOM 0 HB2 ARG A 97 54.149 0.995 10.149 1.00 0.00 H new ATOM 0 HB3 ARG A 97 55.073 -0.493 10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 97 57.076 0.791 11.027 1.00 0.00 H new ATOM 0 HG3 ARG A 97 56.152 2.278 10.955 1.00 0.00 H new ATOM 0 HD2 ARG A 97 55.456 -0.158 12.677 1.00 0.00 H new ATOM 0 HD3 ARG A 97 56.156 1.335 13.270 1.00 0.00 H new ATOM 0 HE ARG A 97 53.713 1.954 11.794 1.00 0.00 H new ATOM 0 HH11 ARG A 97 54.942 0.449 14.697 1.00 0.00 H new ATOM 0 HH12 ARG A 97 53.515 0.853 15.658 1.00 0.00 H new ATOM 0 HH21 ARG A 97 51.899 2.479 13.020 1.00 0.00 H new ATOM 0 HH22 ARG A 97 51.806 1.993 14.716 1.00 0.00 H new ATOM 1432 N SER A 98 55.481 -1.076 7.216 1.00 0.00 N ATOM 1433 CA SER A 98 54.761 -1.930 6.231 1.00 0.00 C ATOM 1434 C SER A 98 53.466 -2.444 6.862 1.00 0.00 C ATOM 1435 O SER A 98 53.461 -2.655 8.065 1.00 0.00 O ATOM 1436 CB SER A 98 55.647 -3.116 5.837 1.00 0.00 C ATOM 1437 OG SER A 98 56.987 -2.668 5.680 1.00 0.00 O ATOM 0 H SER A 98 56.396 -1.422 7.505 1.00 0.00 H new ATOM 0 HA SER A 98 54.527 -1.345 5.341 1.00 0.00 H new ATOM 0 HB2 SER A 98 55.598 -3.892 6.601 1.00 0.00 H new ATOM 0 HB3 SER A 98 55.288 -3.560 4.908 1.00 0.00 H new ATOM 0 HG SER A 98 57.558 -3.424 5.430 1.00 0.00 H new TER 1443 SER A 98