USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 970 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 81 ASN : amide:sc= -3.56! K(o=-3.6!,f=-2.4) USER MOD Set 1.2: A 85 GLN : amide:sc= 0 K(o=-3.6,f=-4.5) USER MOD Set 2.1: A 71 THR OG1 : rot 119:sc= -4.28! USER MOD Set 2.2: A 73 HIS : no HD1:sc= -17.7! C(o=-39!,f=-42!) USER MOD Set 2.3: A 75 HIS : no HE2:sc= -17.3! C(o=-39!,f=-49!) USER MOD Set 3.1: A 60 ASN : amide:sc= -15.8! C(o=-27!,f=-21!) USER MOD Set 3.2: A 65 ASN : amide:sc= -11! C(o=-27!,f=-21!) USER MOD Set 4.1: A 50 LYS NZ :NH3+ -137:sc= -1.47 (180deg=-5.48!) USER MOD Set 4.2: A 83 TYR OH : rot 30:sc= -0.93 USER MOD Set 5.1: A 35 THR OG1 : rot -90:sc= -3.88! USER MOD Set 5.2: A 36 THR OG1 : rot 180:sc= 0.886 USER MOD Set 5.3: A 39 LYS NZ :NH3+ -111:sc= -2.68 (180deg=-2.95) USER MOD Set 6.1: A 34 TYR OH : rot 100:sc= -4.76! USER MOD Set 6.2: A 64 HIS : no HD1:sc= -18.2! C(o=-23!,f=-22!) USER MOD Single : A 8 LYS NZ :NH3+ 147:sc= -0.0676 (180deg=-0.724) USER MOD Single : A 12 SER OG : rot 180:sc= 0.091 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -3.72 K(o=-3.7,f=-2.9) USER MOD Single : A 24 SER OG : rot 180:sc= -0.178 USER MOD Single : A 25 ASN : amide:sc= -0.064 X(o=-0.064,f=-0.064) USER MOD Single : A 27 THR OG1 : rot 31:sc= -0.364 USER MOD Single : A 30 CYS SG : rot 31:sc= -9.25! USER MOD Single : A 37 LYS NZ :NH3+ 135:sc= -0.191 (180deg=-1.15) USER MOD Single : A 44 TYR OH : rot 138:sc= -0.782 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -95:sc= 0.693 USER MOD Single : A 59 HIS : no HE2:sc= -13.8! C(o=-14!,f=-15!) USER MOD Single : A 61 SER OG : rot 140:sc= -2.57! USER MOD Single : A 62 TYR OH : rot -37:sc= 0.383 USER MOD Single : A 63 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : A 78 SER OG : rot 180:sc= -0.571 USER MOD Single : A 82 ASN : amide:sc= -4.64! C(o=-4.6!,f=-4.3!) USER MOD Single : A 86 LYS NZ :NH3+ -116:sc= -0.162 (180deg=-2.69!) USER MOD Single : A 88 CYS SG : rot -87:sc= 0.634 USER MOD Single : A 89 THR OG1 : rot -40:sc= 0.349 USER MOD Single : A 91 SER OG : rot 87:sc= 1.1 USER MOD Single : A 95 CYS SG : rot -110:sc= -9.16! USER MOD Single : A 96 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.451) USER MOD Single : A 99 ASN : amide:sc= -0.614 K(o=-0.61,f=-3.9!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl 162:sc= -0.0098 (180deg=-0.115) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -7:sc= 0.746 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 74 N ASP A 6 110.477 -4.821 18.760 1.00 0.00 N ATOM 75 CA ASP A 6 110.729 -4.825 17.291 1.00 0.00 C ATOM 76 C ASP A 6 110.273 -3.491 16.690 1.00 0.00 C ATOM 77 O ASP A 6 109.597 -2.719 17.341 1.00 0.00 O ATOM 78 CB ASP A 6 109.948 -5.971 16.644 1.00 0.00 C ATOM 79 CG ASP A 6 110.874 -7.173 16.451 1.00 0.00 C ATOM 80 OD1 ASP A 6 111.820 -7.052 15.692 1.00 0.00 O ATOM 81 OD2 ASP A 6 110.620 -8.194 17.068 1.00 0.00 O ATOM 0 HA ASP A 6 111.794 -4.961 17.105 1.00 0.00 H new ATOM 0 HB2 ASP A 6 109.101 -6.248 17.271 1.00 0.00 H new ATOM 0 HB3 ASP A 6 109.543 -5.653 15.684 1.00 0.00 H new ATOM 86 N PRO A 7 110.661 -3.263 15.462 1.00 0.00 N ATOM 87 CA PRO A 7 110.313 -2.030 14.734 1.00 0.00 C ATOM 88 C PRO A 7 108.868 -2.091 14.230 1.00 0.00 C ATOM 89 O PRO A 7 108.573 -2.722 13.234 1.00 0.00 O ATOM 90 CB PRO A 7 111.300 -2.013 13.563 1.00 0.00 C ATOM 91 CG PRO A 7 111.761 -3.477 13.361 1.00 0.00 C ATOM 92 CD PRO A 7 111.483 -4.213 14.684 1.00 0.00 C ATOM 0 HA PRO A 7 110.378 -1.136 15.354 1.00 0.00 H new ATOM 0 HB2 PRO A 7 110.826 -1.627 12.661 1.00 0.00 H new ATOM 0 HB3 PRO A 7 112.149 -1.365 13.780 1.00 0.00 H new ATOM 0 HG2 PRO A 7 111.220 -3.943 12.537 1.00 0.00 H new ATOM 0 HG3 PRO A 7 112.821 -3.518 13.110 1.00 0.00 H new ATOM 0 HD2 PRO A 7 110.954 -5.151 14.514 1.00 0.00 H new ATOM 0 HD3 PRO A 7 112.408 -4.458 15.205 1.00 0.00 H new ATOM 100 N LYS A 8 107.966 -1.438 14.910 1.00 0.00 N ATOM 101 CA LYS A 8 106.544 -1.454 14.470 1.00 0.00 C ATOM 102 C LYS A 8 106.294 -0.283 13.517 1.00 0.00 C ATOM 103 O LYS A 8 105.258 -0.189 12.890 1.00 0.00 O ATOM 104 CB LYS A 8 105.634 -1.320 15.693 1.00 0.00 C ATOM 105 CG LYS A 8 104.389 -2.186 15.501 1.00 0.00 C ATOM 106 CD LYS A 8 104.655 -3.592 16.041 1.00 0.00 C ATOM 107 CE LYS A 8 103.582 -3.958 17.068 1.00 0.00 C ATOM 108 NZ LYS A 8 102.237 -3.868 16.433 1.00 0.00 N ATOM 0 H LYS A 8 108.153 -0.894 15.752 1.00 0.00 H new ATOM 0 HA LYS A 8 106.330 -2.392 13.957 1.00 0.00 H new ATOM 0 HB2 LYS A 8 106.168 -1.627 16.592 1.00 0.00 H new ATOM 0 HB3 LYS A 8 105.347 -0.278 15.833 1.00 0.00 H new ATOM 0 HG2 LYS A 8 103.540 -1.741 16.020 1.00 0.00 H new ATOM 0 HG3 LYS A 8 104.127 -2.235 14.444 1.00 0.00 H new ATOM 0 HD2 LYS A 8 104.652 -4.313 15.224 1.00 0.00 H new ATOM 0 HD3 LYS A 8 105.643 -3.635 16.500 1.00 0.00 H new ATOM 0 HE2 LYS A 8 103.752 -4.967 17.444 1.00 0.00 H new ATOM 0 HE3 LYS A 8 103.638 -3.285 17.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 101.609 -4.585 16.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 101.838 -2.922 16.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 102.324 -4.034 15.410 1.00 0.00 H new ATOM 122 N ASP A 9 107.238 0.611 13.400 1.00 0.00 N ATOM 123 CA ASP A 9 107.058 1.775 12.487 1.00 0.00 C ATOM 124 C ASP A 9 108.326 1.966 11.652 1.00 0.00 C ATOM 125 O ASP A 9 109.391 1.507 12.012 1.00 0.00 O ATOM 126 CB ASP A 9 106.796 3.035 13.315 1.00 0.00 C ATOM 127 CG ASP A 9 105.595 2.804 14.234 1.00 0.00 C ATOM 128 OD1 ASP A 9 105.774 2.169 15.261 1.00 0.00 O ATOM 129 OD2 ASP A 9 104.518 3.266 13.897 1.00 0.00 O ATOM 0 H ASP A 9 108.128 0.585 13.898 1.00 0.00 H new ATOM 0 HA ASP A 9 106.211 1.593 11.825 1.00 0.00 H new ATOM 0 HB2 ASP A 9 107.677 3.283 13.907 1.00 0.00 H new ATOM 0 HB3 ASP A 9 106.605 3.882 12.656 1.00 0.00 H new ATOM 134 N PHE A 10 108.221 2.642 10.540 1.00 0.00 N ATOM 135 CA PHE A 10 109.422 2.860 9.687 1.00 0.00 C ATOM 136 C PHE A 10 110.612 3.251 10.570 1.00 0.00 C ATOM 137 O PHE A 10 110.434 3.671 11.696 1.00 0.00 O ATOM 138 CB PHE A 10 109.138 3.987 8.694 1.00 0.00 C ATOM 139 CG PHE A 10 108.193 3.496 7.622 1.00 0.00 C ATOM 140 CD1 PHE A 10 108.677 2.714 6.566 1.00 0.00 C ATOM 141 CD2 PHE A 10 106.838 3.834 7.678 1.00 0.00 C ATOM 142 CE1 PHE A 10 107.804 2.271 5.566 1.00 0.00 C ATOM 143 CE2 PHE A 10 105.964 3.388 6.679 1.00 0.00 C ATOM 144 CZ PHE A 10 106.449 2.608 5.621 1.00 0.00 C ATOM 0 H PHE A 10 107.356 3.052 10.187 1.00 0.00 H new ATOM 0 HA PHE A 10 109.656 1.943 9.146 1.00 0.00 H new ATOM 0 HB2 PHE A 10 108.702 4.841 9.213 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.069 4.330 8.242 1.00 0.00 H new ATOM 0 HD1 PHE A 10 109.724 2.453 6.523 1.00 0.00 H new ATOM 0 HD2 PHE A 10 106.465 4.439 8.491 1.00 0.00 H new ATOM 0 HE1 PHE A 10 108.178 1.668 4.751 1.00 0.00 H new ATOM 0 HE2 PHE A 10 104.916 3.645 6.724 1.00 0.00 H new ATOM 0 HZ PHE A 10 105.776 2.267 4.848 1.00 0.00 H new ATOM 154 N PRO A 11 111.795 3.107 10.026 1.00 0.00 N ATOM 155 CA PRO A 11 113.041 3.443 10.737 1.00 0.00 C ATOM 156 C PRO A 11 113.256 4.959 10.745 1.00 0.00 C ATOM 157 O PRO A 11 113.034 5.633 9.759 1.00 0.00 O ATOM 158 CB PRO A 11 114.124 2.737 9.916 1.00 0.00 C ATOM 159 CG PRO A 11 113.530 2.523 8.503 1.00 0.00 C ATOM 160 CD PRO A 11 111.998 2.597 8.654 1.00 0.00 C ATOM 0 HA PRO A 11 113.039 3.133 11.782 1.00 0.00 H new ATOM 0 HB2 PRO A 11 115.031 3.340 9.869 1.00 0.00 H new ATOM 0 HB3 PRO A 11 114.398 1.785 10.371 1.00 0.00 H new ATOM 0 HG2 PRO A 11 113.889 3.286 7.812 1.00 0.00 H new ATOM 0 HG3 PRO A 11 113.833 1.558 8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 11 111.556 3.262 7.912 1.00 0.00 H new ATOM 0 HD3 PRO A 11 111.537 1.619 8.520 1.00 0.00 H new ATOM 168 N SER A 12 113.683 5.502 11.854 1.00 0.00 N ATOM 169 CA SER A 12 113.906 6.974 11.928 1.00 0.00 C ATOM 170 C SER A 12 114.820 7.416 10.785 1.00 0.00 C ATOM 171 O SER A 12 114.648 8.474 10.213 1.00 0.00 O ATOM 172 CB SER A 12 114.558 7.325 13.265 1.00 0.00 C ATOM 173 OG SER A 12 115.216 6.176 13.782 1.00 0.00 O ATOM 0 H SER A 12 113.887 4.989 12.712 1.00 0.00 H new ATOM 0 HA SER A 12 112.948 7.487 11.843 1.00 0.00 H new ATOM 0 HB2 SER A 12 115.272 8.138 13.132 1.00 0.00 H new ATOM 0 HB3 SER A 12 113.804 7.675 13.970 1.00 0.00 H new ATOM 0 HG SER A 12 115.637 6.398 14.639 1.00 0.00 H new ATOM 179 N GLU A 13 115.791 6.614 10.448 1.00 0.00 N ATOM 180 CA GLU A 13 116.715 6.992 9.341 1.00 0.00 C ATOM 181 C GLU A 13 115.909 7.208 8.059 1.00 0.00 C ATOM 182 O GLU A 13 116.162 8.125 7.302 1.00 0.00 O ATOM 183 CB GLU A 13 117.735 5.871 9.122 1.00 0.00 C ATOM 184 CG GLU A 13 119.005 6.449 8.496 1.00 0.00 C ATOM 185 CD GLU A 13 120.215 5.628 8.942 1.00 0.00 C ATOM 186 OE1 GLU A 13 120.304 4.477 8.547 1.00 0.00 O ATOM 187 OE2 GLU A 13 121.033 6.164 9.671 1.00 0.00 O ATOM 0 H GLU A 13 115.985 5.715 10.889 1.00 0.00 H new ATOM 0 HA GLU A 13 117.239 7.912 9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.972 5.390 10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.314 5.104 8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 13 118.925 6.437 7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 13 119.129 7.490 8.795 1.00 0.00 H new ATOM 194 N LEU A 14 114.939 6.372 7.808 1.00 0.00 N ATOM 195 CA LEU A 14 114.118 6.532 6.574 1.00 0.00 C ATOM 196 C LEU A 14 112.895 7.399 6.881 1.00 0.00 C ATOM 197 O LEU A 14 112.104 7.702 6.010 1.00 0.00 O ATOM 198 CB LEU A 14 113.658 5.159 6.083 1.00 0.00 C ATOM 199 CG LEU A 14 114.879 4.299 5.755 1.00 0.00 C ATOM 200 CD1 LEU A 14 114.430 2.869 5.453 1.00 0.00 C ATOM 201 CD2 LEU A 14 115.595 4.877 4.533 1.00 0.00 C ATOM 0 H LEU A 14 114.679 5.586 8.403 1.00 0.00 H new ATOM 0 HA LEU A 14 114.718 7.012 5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 14 113.052 4.672 6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 14 113.029 5.269 5.199 1.00 0.00 H new ATOM 0 HG LEU A 14 115.559 4.294 6.607 1.00 0.00 H new ATOM 0 HD11 LEU A 14 115.300 2.256 5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 14 113.919 2.457 6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 14 113.750 2.873 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 14 116.466 4.265 4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.915 4.882 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 14 115.916 5.896 4.748 1.00 0.00 H new ATOM 213 N LEU A 15 112.732 7.806 8.111 1.00 0.00 N ATOM 214 CA LEU A 15 111.559 8.654 8.464 1.00 0.00 C ATOM 215 C LEU A 15 111.866 10.114 8.122 1.00 0.00 C ATOM 216 O LEU A 15 111.120 11.012 8.464 1.00 0.00 O ATOM 217 CB LEU A 15 111.271 8.527 9.962 1.00 0.00 C ATOM 218 CG LEU A 15 110.592 7.186 10.237 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.703 6.852 11.726 1.00 0.00 C ATOM 220 CD2 LEU A 15 109.116 7.273 9.843 1.00 0.00 C ATOM 0 H LEU A 15 113.360 7.588 8.885 1.00 0.00 H new ATOM 0 HA LEU A 15 110.687 8.325 7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 15 112.199 8.600 10.529 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.631 9.345 10.291 1.00 0.00 H new ATOM 0 HG LEU A 15 111.080 6.406 9.653 1.00 0.00 H new ATOM 0 HD11 LEU A 15 110.218 5.895 11.921 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.754 6.791 12.008 1.00 0.00 H new ATOM 0 HD13 LEU A 15 110.216 7.632 12.311 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.630 6.317 10.039 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.629 8.054 10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.036 7.510 8.782 1.00 0.00 H new ATOM 232 N SER A 16 112.958 10.359 7.451 1.00 0.00 N ATOM 233 CA SER A 16 113.313 11.761 7.087 1.00 0.00 C ATOM 234 C SER A 16 112.611 12.143 5.783 1.00 0.00 C ATOM 235 O SER A 16 112.522 13.304 5.433 1.00 0.00 O ATOM 236 CB SER A 16 114.826 11.868 6.897 1.00 0.00 C ATOM 237 OG SER A 16 115.475 11.614 8.135 1.00 0.00 O ATOM 0 H SER A 16 113.620 9.649 7.139 1.00 0.00 H new ATOM 0 HA SER A 16 112.995 12.435 7.883 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.161 11.154 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.089 12.861 6.533 1.00 0.00 H new ATOM 0 HG SER A 16 116.445 11.680 8.015 1.00 0.00 H new ATOM 243 N PHE A 17 112.110 11.178 5.061 1.00 0.00 N ATOM 244 CA PHE A 17 111.415 11.492 3.780 1.00 0.00 C ATOM 245 C PHE A 17 110.309 10.464 3.524 1.00 0.00 C ATOM 246 O PHE A 17 110.451 9.577 2.704 1.00 0.00 O ATOM 247 CB PHE A 17 112.421 11.463 2.622 1.00 0.00 C ATOM 248 CG PHE A 17 113.451 10.374 2.842 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.103 9.190 3.508 1.00 0.00 C ATOM 250 CD2 PHE A 17 114.758 10.549 2.369 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.060 8.189 3.700 1.00 0.00 C ATOM 252 CE2 PHE A 17 115.714 9.545 2.560 1.00 0.00 C ATOM 253 CZ PHE A 17 115.365 8.366 3.227 1.00 0.00 C ATOM 0 H PHE A 17 112.152 10.188 5.302 1.00 0.00 H new ATOM 0 HA PHE A 17 110.974 12.486 3.849 1.00 0.00 H new ATOM 0 HB2 PHE A 17 111.897 11.292 1.682 1.00 0.00 H new ATOM 0 HB3 PHE A 17 112.917 12.430 2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.096 9.051 3.873 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.028 11.460 1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 17 113.792 7.278 4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 17 116.721 9.680 2.193 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.103 7.592 3.377 1.00 0.00 H new ATOM 263 N LEU A 18 109.209 10.574 4.216 1.00 0.00 N ATOM 264 CA LEU A 18 108.098 9.600 4.009 1.00 0.00 C ATOM 265 C LEU A 18 106.779 10.357 3.844 1.00 0.00 C ATOM 266 O LEU A 18 106.743 11.571 3.863 1.00 0.00 O ATOM 267 CB LEU A 18 108.005 8.668 5.218 1.00 0.00 C ATOM 268 CG LEU A 18 108.434 7.257 4.811 1.00 0.00 C ATOM 269 CD1 LEU A 18 108.471 6.356 6.046 1.00 0.00 C ATOM 270 CD2 LEU A 18 107.435 6.692 3.798 1.00 0.00 C ATOM 0 H LEU A 18 109.030 11.295 4.915 1.00 0.00 H new ATOM 0 HA LEU A 18 108.293 9.012 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.642 9.035 6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 18 106.985 8.653 5.601 1.00 0.00 H new ATOM 0 HG LEU A 18 109.426 7.296 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 18 108.777 5.351 5.754 1.00 0.00 H new ATOM 0 HD12 LEU A 18 109.183 6.757 6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 18 107.480 6.317 6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 18 107.740 5.687 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 18 106.443 6.654 4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 18 107.410 7.332 2.916 1.00 0.00 H new ATOM 282 N SER A 19 105.694 9.649 3.683 1.00 0.00 N ATOM 283 CA SER A 19 104.378 10.329 3.519 1.00 0.00 C ATOM 284 C SER A 19 103.732 10.531 4.891 1.00 0.00 C ATOM 285 O SER A 19 103.272 11.607 5.219 1.00 0.00 O ATOM 286 CB SER A 19 103.463 9.467 2.647 1.00 0.00 C ATOM 287 OG SER A 19 102.165 10.046 2.613 1.00 0.00 O ATOM 0 H SER A 19 105.662 8.630 3.658 1.00 0.00 H new ATOM 0 HA SER A 19 104.528 11.298 3.042 1.00 0.00 H new ATOM 0 HB2 SER A 19 103.867 9.393 1.637 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.411 8.453 3.045 1.00 0.00 H new ATOM 0 HG SER A 19 101.576 9.497 2.054 1.00 0.00 H new ATOM 293 N HIS A 20 103.693 9.505 5.697 1.00 0.00 N ATOM 294 CA HIS A 20 103.079 9.641 7.047 1.00 0.00 C ATOM 295 C HIS A 20 101.588 9.958 6.902 1.00 0.00 C ATOM 296 O HIS A 20 101.103 10.949 7.410 1.00 0.00 O ATOM 297 CB HIS A 20 103.770 10.772 7.811 1.00 0.00 C ATOM 298 CG HIS A 20 105.261 10.605 7.719 1.00 0.00 C ATOM 299 ND1 HIS A 20 105.919 9.516 8.270 1.00 0.00 N ATOM 300 CD2 HIS A 20 106.238 11.381 7.144 1.00 0.00 C ATOM 301 CE1 HIS A 20 107.232 9.666 8.017 1.00 0.00 C ATOM 302 NE2 HIS A 20 107.482 10.786 7.334 1.00 0.00 N ATOM 0 H HIS A 20 104.060 8.579 5.478 1.00 0.00 H new ATOM 0 HA HIS A 20 103.199 8.707 7.595 1.00 0.00 H new ATOM 0 HB2 HIS A 20 103.476 11.737 7.397 1.00 0.00 H new ATOM 0 HB3 HIS A 20 103.457 10.764 8.855 1.00 0.00 H new ATOM 0 HD2 HIS A 20 106.067 12.312 6.623 1.00 0.00 H new ATOM 0 HE1 HIS A 20 107.992 8.965 8.329 1.00 0.00 H new ATOM 0 HE2 HIS A 20 108.389 11.131 7.019 1.00 0.00 H new ATOM 310 N ALA A 21 100.858 9.125 6.212 1.00 0.00 N ATOM 311 CA ALA A 21 99.400 9.378 6.036 1.00 0.00 C ATOM 312 C ALA A 21 98.751 8.172 5.352 1.00 0.00 C ATOM 313 O ALA A 21 99.416 7.370 4.728 1.00 0.00 O ATOM 314 CB ALA A 21 99.199 10.624 5.171 1.00 0.00 C ATOM 0 H ALA A 21 101.209 8.279 5.762 1.00 0.00 H new ATOM 0 HA ALA A 21 98.939 9.534 7.011 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.133 10.809 5.042 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.660 11.483 5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.661 10.468 4.196 1.00 0.00 H new ATOM 320 N VAL A 22 97.457 8.037 5.465 1.00 0.00 N ATOM 321 CA VAL A 22 96.772 6.882 4.820 1.00 0.00 C ATOM 322 C VAL A 22 95.551 7.377 4.045 1.00 0.00 C ATOM 323 O VAL A 22 95.267 6.924 2.955 1.00 0.00 O ATOM 324 CB VAL A 22 96.323 5.890 5.894 1.00 0.00 C ATOM 325 CG1 VAL A 22 95.905 4.575 5.233 1.00 0.00 C ATOM 326 CG2 VAL A 22 97.481 5.626 6.860 1.00 0.00 C ATOM 0 H VAL A 22 96.847 8.675 5.975 1.00 0.00 H new ATOM 0 HA VAL A 22 97.462 6.390 4.135 1.00 0.00 H new ATOM 0 HB VAL A 22 95.478 6.307 6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 22 95.585 3.868 5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 22 95.081 4.760 4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 22 96.750 4.158 4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 22 97.162 4.919 7.626 1.00 0.00 H new ATOM 0 HG22 VAL A 22 98.325 5.209 6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 22 97.781 6.561 7.332 1.00 0.00 H new ATOM 336 N PHE A 23 94.826 8.306 4.602 1.00 0.00 N ATOM 337 CA PHE A 23 93.622 8.834 3.902 1.00 0.00 C ATOM 338 C PHE A 23 93.919 10.235 3.360 1.00 0.00 C ATOM 339 O PHE A 23 93.048 11.078 3.283 1.00 0.00 O ATOM 340 CB PHE A 23 92.451 8.907 4.885 1.00 0.00 C ATOM 341 CG PHE A 23 91.712 7.590 4.889 1.00 0.00 C ATOM 342 CD1 PHE A 23 92.399 6.401 5.161 1.00 0.00 C ATOM 343 CD2 PHE A 23 90.337 7.559 4.623 1.00 0.00 C ATOM 344 CE1 PHE A 23 91.712 5.181 5.166 1.00 0.00 C ATOM 345 CE2 PHE A 23 89.651 6.339 4.628 1.00 0.00 C ATOM 346 CZ PHE A 23 90.339 5.150 4.900 1.00 0.00 C ATOM 0 H PHE A 23 95.015 8.723 5.513 1.00 0.00 H new ATOM 0 HA PHE A 23 93.363 8.171 3.076 1.00 0.00 H new ATOM 0 HB2 PHE A 23 92.817 9.134 5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 23 91.775 9.714 4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 23 93.459 6.425 5.367 1.00 0.00 H new ATOM 0 HD2 PHE A 23 89.806 8.476 4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 23 92.242 4.264 5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 23 88.591 6.315 4.422 1.00 0.00 H new ATOM 0 HZ PHE A 23 89.809 4.209 4.904 1.00 0.00 H new ATOM 356 N SER A 24 95.143 10.490 2.987 1.00 0.00 N ATOM 357 CA SER A 24 95.494 11.836 2.453 1.00 0.00 C ATOM 358 C SER A 24 94.934 11.988 1.037 1.00 0.00 C ATOM 359 O SER A 24 94.619 11.018 0.377 1.00 0.00 O ATOM 360 CB SER A 24 97.013 11.992 2.420 1.00 0.00 C ATOM 361 OG SER A 24 97.377 12.799 1.308 1.00 0.00 O ATOM 0 H SER A 24 95.915 9.825 3.029 1.00 0.00 H new ATOM 0 HA SER A 24 95.064 12.604 3.097 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.364 12.448 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 24 97.489 11.014 2.346 1.00 0.00 H new ATOM 0 HG SER A 24 98.351 12.903 1.284 1.00 0.00 H new ATOM 367 N ASN A 25 94.810 13.198 0.565 1.00 0.00 N ATOM 368 CA ASN A 25 94.273 13.412 -0.808 1.00 0.00 C ATOM 369 C ASN A 25 95.380 13.169 -1.835 1.00 0.00 C ATOM 370 O ASN A 25 96.389 12.559 -1.543 1.00 0.00 O ATOM 371 CB ASN A 25 93.764 14.849 -0.938 1.00 0.00 C ATOM 372 CG ASN A 25 93.029 15.247 0.342 1.00 0.00 C ATOM 373 OD1 ASN A 25 92.122 14.564 0.774 1.00 0.00 O ATOM 374 ND2 ASN A 25 93.385 16.332 0.973 1.00 0.00 N ATOM 0 H ASN A 25 95.058 14.048 1.071 1.00 0.00 H new ATOM 0 HA ASN A 25 93.453 12.717 -0.988 1.00 0.00 H new ATOM 0 HB2 ASN A 25 94.599 15.527 -1.117 1.00 0.00 H new ATOM 0 HB3 ASN A 25 93.096 14.933 -1.795 1.00 0.00 H new ATOM 0 HD21 ASN A 25 92.902 16.606 1.828 1.00 0.00 H new ATOM 0 HD22 ASN A 25 94.146 16.906 0.611 1.00 0.00 H new ATOM 381 N ARG A 26 95.199 13.642 -3.038 1.00 0.00 N ATOM 382 CA ARG A 26 96.240 13.438 -4.084 1.00 0.00 C ATOM 383 C ARG A 26 96.338 11.950 -4.423 1.00 0.00 C ATOM 384 O ARG A 26 96.139 11.096 -3.582 1.00 0.00 O ATOM 385 CB ARG A 26 97.591 13.931 -3.562 1.00 0.00 C ATOM 386 CG ARG A 26 98.141 15.003 -4.506 1.00 0.00 C ATOM 387 CD ARG A 26 98.436 16.277 -3.712 1.00 0.00 C ATOM 388 NE ARG A 26 97.286 16.580 -2.815 1.00 0.00 N ATOM 389 CZ ARG A 26 97.424 17.445 -1.848 1.00 0.00 C ATOM 390 NH1 ARG A 26 97.479 18.721 -2.118 1.00 0.00 N ATOM 391 NH2 ARG A 26 97.506 17.035 -0.612 1.00 0.00 N ATOM 0 H ARG A 26 94.375 14.161 -3.341 1.00 0.00 H new ATOM 0 HA ARG A 26 95.969 13.998 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 26 97.478 14.339 -2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.292 13.099 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 26 99.049 14.645 -4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 26 97.420 15.212 -5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 26 99.345 16.150 -3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 26 98.610 17.111 -4.393 1.00 0.00 H new ATOM 0 HE ARG A 26 96.391 16.111 -2.957 1.00 0.00 H new ATOM 0 HH11 ARG A 26 97.414 19.041 -3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 26 97.587 19.398 -1.363 1.00 0.00 H new ATOM 0 HH21 ARG A 26 97.462 16.038 -0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 26 97.614 17.712 0.144 1.00 0.00 H new ATOM 405 N THR A 27 96.644 11.632 -5.651 1.00 0.00 N ATOM 406 CA THR A 27 96.756 10.199 -6.043 1.00 0.00 C ATOM 407 C THR A 27 98.233 9.815 -6.145 1.00 0.00 C ATOM 408 O THR A 27 98.913 10.169 -7.088 1.00 0.00 O ATOM 409 CB THR A 27 96.078 9.987 -7.400 1.00 0.00 C ATOM 410 OG1 THR A 27 96.643 10.876 -8.352 1.00 0.00 O ATOM 411 CG2 THR A 27 94.578 10.259 -7.271 1.00 0.00 C ATOM 0 H THR A 27 96.821 12.302 -6.399 1.00 0.00 H new ATOM 0 HA THR A 27 96.269 9.576 -5.293 1.00 0.00 H new ATOM 0 HB THR A 27 96.231 8.959 -7.727 1.00 0.00 H new ATOM 0 HG1 THR A 27 97.581 11.045 -8.125 1.00 0.00 H new ATOM 0 HG21 THR A 27 94.096 10.108 -8.237 1.00 0.00 H new ATOM 0 HG22 THR A 27 94.146 9.576 -6.539 1.00 0.00 H new ATOM 0 HG23 THR A 27 94.421 11.287 -6.944 1.00 0.00 H new ATOM 419 N LEU A 28 98.736 9.095 -5.180 1.00 0.00 N ATOM 420 CA LEU A 28 100.170 8.691 -5.224 1.00 0.00 C ATOM 421 C LEU A 28 100.308 7.363 -5.970 1.00 0.00 C ATOM 422 O LEU A 28 99.388 6.576 -6.029 1.00 0.00 O ATOM 423 CB LEU A 28 100.698 8.531 -3.797 1.00 0.00 C ATOM 424 CG LEU A 28 101.932 9.414 -3.608 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.527 10.885 -3.715 1.00 0.00 C ATOM 426 CD2 LEU A 28 102.540 9.153 -2.229 1.00 0.00 C ATOM 0 H LEU A 28 98.217 8.769 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 28 100.746 9.458 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 28 99.926 8.808 -3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 28 100.951 7.488 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 28 102.666 9.181 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.406 11.515 -3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 28 101.093 11.072 -4.697 1.00 0.00 H new ATOM 0 HD13 LEU A 28 100.793 11.117 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 28 103.420 9.782 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 28 101.806 9.386 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 28 102.828 8.105 -2.151 1.00 0.00 H new ATOM 438 N ALA A 29 101.453 7.112 -6.540 1.00 0.00 N ATOM 439 CA ALA A 29 101.664 5.836 -7.286 1.00 0.00 C ATOM 440 C ALA A 29 102.928 5.147 -6.755 1.00 0.00 C ATOM 441 O ALA A 29 103.347 4.122 -7.258 1.00 0.00 O ATOM 442 CB ALA A 29 101.841 6.150 -8.772 1.00 0.00 C ATOM 0 H ALA A 29 102.258 7.738 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 29 100.805 5.179 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 29 101.996 5.223 -9.324 1.00 0.00 H new ATOM 0 HB2 ALA A 29 100.948 6.651 -9.147 1.00 0.00 H new ATOM 0 HB3 ALA A 29 102.705 6.800 -8.906 1.00 0.00 H new ATOM 448 N CYS A 30 103.538 5.705 -5.742 1.00 0.00 N ATOM 449 CA CYS A 30 104.772 5.094 -5.170 1.00 0.00 C ATOM 450 C CYS A 30 104.524 4.766 -3.696 1.00 0.00 C ATOM 451 O CYS A 30 103.913 5.534 -2.980 1.00 0.00 O ATOM 452 CB CYS A 30 105.931 6.093 -5.289 1.00 0.00 C ATOM 453 SG CYS A 30 107.301 5.591 -4.213 1.00 0.00 S ATOM 0 H CYS A 30 103.231 6.563 -5.284 1.00 0.00 H new ATOM 0 HA CYS A 30 105.025 4.182 -5.711 1.00 0.00 H new ATOM 0 HB2 CYS A 30 106.271 6.145 -6.323 1.00 0.00 H new ATOM 0 HB3 CYS A 30 105.590 7.091 -5.015 1.00 0.00 H new ATOM 0 HG CYS A 30 107.319 4.295 -4.110 1.00 0.00 H new ATOM 459 N PHE A 31 104.986 3.636 -3.232 1.00 0.00 N ATOM 460 CA PHE A 31 104.756 3.290 -1.801 1.00 0.00 C ATOM 461 C PHE A 31 105.861 2.360 -1.287 1.00 0.00 C ATOM 462 O PHE A 31 106.604 1.765 -2.050 1.00 0.00 O ATOM 463 CB PHE A 31 103.398 2.600 -1.659 1.00 0.00 C ATOM 464 CG PHE A 31 102.411 3.224 -2.616 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.450 2.897 -3.978 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.453 4.130 -2.143 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.534 3.474 -4.863 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.536 4.704 -3.028 1.00 0.00 C ATOM 469 CZ PHE A 31 100.577 4.377 -4.388 1.00 0.00 C ATOM 0 H PHE A 31 105.506 2.946 -3.774 1.00 0.00 H new ATOM 0 HA PHE A 31 104.770 4.206 -1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 31 103.497 1.534 -1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.036 2.694 -0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.188 2.199 -4.344 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.423 4.385 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.565 3.223 -5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.796 5.400 -2.662 1.00 0.00 H new ATOM 0 HZ PHE A 31 99.869 4.822 -5.072 1.00 0.00 H new ATOM 479 N ALA A 32 105.967 2.238 0.011 1.00 0.00 N ATOM 480 CA ALA A 32 107.011 1.359 0.608 1.00 0.00 C ATOM 481 C ALA A 32 106.366 0.437 1.645 1.00 0.00 C ATOM 482 O ALA A 32 105.729 0.889 2.576 1.00 0.00 O ATOM 483 CB ALA A 32 108.068 2.223 1.301 1.00 0.00 C ATOM 0 H ALA A 32 105.369 2.714 0.686 1.00 0.00 H new ATOM 0 HA ALA A 32 107.476 0.764 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 32 108.833 1.581 1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.528 2.890 0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.597 2.814 2.087 1.00 0.00 H new ATOM 489 N ILE A 33 106.532 -0.849 1.504 1.00 0.00 N ATOM 490 CA ILE A 33 105.931 -1.782 2.498 1.00 0.00 C ATOM 491 C ILE A 33 107.014 -2.240 3.473 1.00 0.00 C ATOM 492 O ILE A 33 107.668 -3.242 3.265 1.00 0.00 O ATOM 493 CB ILE A 33 105.341 -3.001 1.784 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.513 -2.541 0.582 1.00 0.00 C ATOM 495 CG2 ILE A 33 104.446 -3.775 2.755 1.00 0.00 C ATOM 496 CD1 ILE A 33 103.576 -1.410 1.006 1.00 0.00 C ATOM 0 H ILE A 33 107.054 -1.292 0.748 1.00 0.00 H new ATOM 0 HA ILE A 33 105.136 -1.268 3.039 1.00 0.00 H new ATOM 0 HB ILE A 33 106.149 -3.646 1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 33 105.172 -2.201 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 33 103.935 -3.376 0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.025 -4.643 2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 33 105.036 -4.105 3.610 1.00 0.00 H new ATOM 0 HG23 ILE A 33 103.638 -3.129 3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 33 102.988 -1.084 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 33 102.908 -1.766 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 33 104.164 -0.572 1.382 1.00 0.00 H new ATOM 508 N TYR A 34 107.203 -1.519 4.543 1.00 0.00 N ATOM 509 CA TYR A 34 108.238 -1.923 5.536 1.00 0.00 C ATOM 510 C TYR A 34 107.656 -3.038 6.398 1.00 0.00 C ATOM 511 O TYR A 34 106.798 -2.809 7.225 1.00 0.00 O ATOM 512 CB TYR A 34 108.607 -0.725 6.416 1.00 0.00 C ATOM 513 CG TYR A 34 109.405 -1.203 7.605 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.351 -2.223 7.449 1.00 0.00 C ATOM 515 CD2 TYR A 34 109.199 -0.628 8.865 1.00 0.00 C ATOM 516 CE1 TYR A 34 111.089 -2.668 8.549 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.938 -1.073 9.967 1.00 0.00 C ATOM 518 CZ TYR A 34 110.883 -2.093 9.809 1.00 0.00 C ATOM 519 OH TYR A 34 111.613 -2.532 10.896 1.00 0.00 O ATOM 0 H TYR A 34 106.687 -0.670 4.773 1.00 0.00 H new ATOM 0 HA TYR A 34 109.137 -2.270 5.026 1.00 0.00 H new ATOM 0 HB2 TYR A 34 109.187 -0.003 5.842 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.704 -0.214 6.751 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.511 -2.667 6.477 1.00 0.00 H new ATOM 0 HD2 TYR A 34 108.470 0.159 8.986 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.818 -3.455 8.427 1.00 0.00 H new ATOM 0 HE2 TYR A 34 109.779 -0.629 10.939 1.00 0.00 H new ATOM 0 HH TYR A 34 112.350 -1.910 11.068 1.00 0.00 H new ATOM 529 N THR A 35 108.092 -4.248 6.201 1.00 0.00 N ATOM 530 CA THR A 35 107.522 -5.365 7.008 1.00 0.00 C ATOM 531 C THR A 35 108.499 -6.540 7.039 1.00 0.00 C ATOM 532 O THR A 35 109.469 -6.574 6.308 1.00 0.00 O ATOM 533 CB THR A 35 106.193 -5.827 6.384 1.00 0.00 C ATOM 534 OG1 THR A 35 106.416 -6.999 5.612 1.00 0.00 O ATOM 535 CG2 THR A 35 105.617 -4.727 5.484 1.00 0.00 C ATOM 0 H THR A 35 108.809 -4.513 5.526 1.00 0.00 H new ATOM 0 HA THR A 35 107.349 -5.014 8.025 1.00 0.00 H new ATOM 0 HB THR A 35 105.482 -6.039 7.183 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.634 -6.747 4.690 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.677 -5.067 5.049 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.439 -3.829 6.076 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.325 -4.502 4.686 1.00 0.00 H new ATOM 543 N THR A 36 108.244 -7.507 7.881 1.00 0.00 N ATOM 544 CA THR A 36 109.150 -8.688 7.960 1.00 0.00 C ATOM 545 C THR A 36 109.528 -9.124 6.542 1.00 0.00 C ATOM 546 O THR A 36 108.815 -8.863 5.592 1.00 0.00 O ATOM 547 CB THR A 36 108.435 -9.845 8.672 1.00 0.00 C ATOM 548 OG1 THR A 36 107.335 -10.276 7.882 1.00 0.00 O ATOM 549 CG2 THR A 36 107.929 -9.388 10.043 1.00 0.00 C ATOM 0 H THR A 36 107.447 -7.529 8.517 1.00 0.00 H new ATOM 0 HA THR A 36 110.047 -8.421 8.519 1.00 0.00 H new ATOM 0 HB THR A 36 109.137 -10.668 8.809 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.878 -11.016 8.334 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.424 -10.217 10.539 1.00 0.00 H new ATOM 0 HG22 THR A 36 108.772 -9.061 10.651 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.231 -8.561 9.916 1.00 0.00 H new ATOM 557 N LYS A 37 110.643 -9.782 6.388 1.00 0.00 N ATOM 558 CA LYS A 37 111.063 -10.229 5.034 1.00 0.00 C ATOM 559 C LYS A 37 110.027 -11.206 4.469 1.00 0.00 C ATOM 560 O LYS A 37 109.716 -11.187 3.295 1.00 0.00 O ATOM 561 CB LYS A 37 112.422 -10.921 5.139 1.00 0.00 C ATOM 562 CG LYS A 37 112.248 -12.302 5.776 1.00 0.00 C ATOM 563 CD LYS A 37 113.611 -12.834 6.226 1.00 0.00 C ATOM 564 CE LYS A 37 113.490 -14.319 6.572 1.00 0.00 C ATOM 565 NZ LYS A 37 113.079 -15.078 5.357 1.00 0.00 N ATOM 0 H LYS A 37 111.282 -10.029 7.144 1.00 0.00 H new ATOM 0 HA LYS A 37 111.139 -9.369 4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 37 112.868 -11.020 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.104 -10.317 5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 37 111.572 -12.238 6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 37 111.796 -12.989 5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.348 -12.693 5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 37 113.963 -12.275 7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 37 114.442 -14.696 6.945 1.00 0.00 H new ATOM 0 HE3 LYS A 37 112.758 -14.460 7.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 113.659 -15.937 5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 112.076 -15.343 5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 113.215 -14.484 4.514 1.00 0.00 H new ATOM 579 N GLU A 38 109.500 -12.066 5.297 1.00 0.00 N ATOM 580 CA GLU A 38 108.496 -13.052 4.816 1.00 0.00 C ATOM 581 C GLU A 38 107.317 -12.327 4.164 1.00 0.00 C ATOM 582 O GLU A 38 106.557 -12.912 3.418 1.00 0.00 O ATOM 583 CB GLU A 38 107.992 -13.884 5.997 1.00 0.00 C ATOM 584 CG GLU A 38 107.702 -15.312 5.526 1.00 0.00 C ATOM 585 CD GLU A 38 106.931 -16.063 6.612 1.00 0.00 C ATOM 586 OE1 GLU A 38 106.248 -15.412 7.384 1.00 0.00 O ATOM 587 OE2 GLU A 38 107.036 -17.277 6.652 1.00 0.00 O ATOM 0 H GLU A 38 109.724 -12.127 6.290 1.00 0.00 H new ATOM 0 HA GLU A 38 108.964 -13.705 4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 38 108.737 -13.896 6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.089 -13.436 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.123 -15.291 4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 38 108.635 -15.829 5.305 1.00 0.00 H new ATOM 594 N LYS A 39 107.148 -11.063 4.440 1.00 0.00 N ATOM 595 CA LYS A 39 106.009 -10.321 3.833 1.00 0.00 C ATOM 596 C LYS A 39 106.479 -9.590 2.575 1.00 0.00 C ATOM 597 O LYS A 39 106.036 -9.876 1.481 1.00 0.00 O ATOM 598 CB LYS A 39 105.460 -9.313 4.841 1.00 0.00 C ATOM 599 CG LYS A 39 104.093 -9.790 5.330 1.00 0.00 C ATOM 600 CD LYS A 39 104.161 -10.101 6.825 1.00 0.00 C ATOM 601 CE LYS A 39 104.132 -8.793 7.616 1.00 0.00 C ATOM 602 NZ LYS A 39 105.426 -8.623 8.331 1.00 0.00 N ATOM 0 H LYS A 39 107.747 -10.514 5.057 1.00 0.00 H new ATOM 0 HA LYS A 39 105.223 -11.026 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.146 -9.211 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.372 -8.329 4.380 1.00 0.00 H new ATOM 0 HG2 LYS A 39 103.341 -9.024 5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.788 -10.679 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 39 103.322 -10.733 7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 39 105.071 -10.656 7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.961 -7.952 6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 39 103.308 -8.804 8.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 105.273 -8.724 9.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 106.099 -9.348 8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 105.812 -7.678 8.130 1.00 0.00 H new ATOM 616 N ALA A 40 107.368 -8.647 2.715 1.00 0.00 N ATOM 617 CA ALA A 40 107.854 -7.906 1.515 1.00 0.00 C ATOM 618 C ALA A 40 108.169 -8.898 0.395 1.00 0.00 C ATOM 619 O ALA A 40 108.128 -8.563 -0.771 1.00 0.00 O ATOM 620 CB ALA A 40 109.121 -7.125 1.870 1.00 0.00 C ATOM 0 H ALA A 40 107.778 -8.357 3.603 1.00 0.00 H new ATOM 0 HA ALA A 40 107.081 -7.213 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 40 109.474 -6.585 0.991 1.00 0.00 H new ATOM 0 HB2 ALA A 40 108.900 -6.416 2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 40 109.894 -7.817 2.204 1.00 0.00 H new ATOM 626 N ALA A 41 108.486 -10.116 0.738 1.00 0.00 N ATOM 627 CA ALA A 41 108.806 -11.125 -0.313 1.00 0.00 C ATOM 628 C ALA A 41 107.532 -11.500 -1.071 1.00 0.00 C ATOM 629 O ALA A 41 107.515 -11.564 -2.284 1.00 0.00 O ATOM 630 CB ALA A 41 109.399 -12.374 0.342 1.00 0.00 C ATOM 0 H ALA A 41 108.537 -10.457 1.698 1.00 0.00 H new ATOM 0 HA ALA A 41 109.529 -10.703 -1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.633 -13.111 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.310 -12.106 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.677 -12.795 1.042 1.00 0.00 H new ATOM 636 N LEU A 42 106.467 -11.751 -0.366 1.00 0.00 N ATOM 637 CA LEU A 42 105.192 -12.123 -1.043 1.00 0.00 C ATOM 638 C LEU A 42 104.670 -10.927 -1.843 1.00 0.00 C ATOM 639 O LEU A 42 104.255 -11.061 -2.978 1.00 0.00 O ATOM 640 CB LEU A 42 104.154 -12.527 0.006 1.00 0.00 C ATOM 641 CG LEU A 42 104.469 -13.934 0.519 1.00 0.00 C ATOM 642 CD1 LEU A 42 103.667 -14.205 1.792 1.00 0.00 C ATOM 643 CD2 LEU A 42 104.087 -14.962 -0.550 1.00 0.00 C ATOM 0 H LEU A 42 106.422 -11.715 0.652 1.00 0.00 H new ATOM 0 HA LEU A 42 105.371 -12.961 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.161 -11.817 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.154 -12.502 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 42 105.534 -14.011 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 42 103.892 -15.207 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 42 103.935 -13.473 2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 42 102.602 -14.128 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 42 104.311 -15.965 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 42 103.022 -14.883 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 42 104.657 -14.770 -1.459 1.00 0.00 H new ATOM 655 N LEU A 43 104.685 -9.759 -1.261 1.00 0.00 N ATOM 656 CA LEU A 43 104.187 -8.557 -1.989 1.00 0.00 C ATOM 657 C LEU A 43 105.147 -8.217 -3.132 1.00 0.00 C ATOM 658 O LEU A 43 104.763 -7.627 -4.121 1.00 0.00 O ATOM 659 CB LEU A 43 104.101 -7.374 -1.021 1.00 0.00 C ATOM 660 CG LEU A 43 103.390 -7.814 0.261 1.00 0.00 C ATOM 661 CD1 LEU A 43 103.033 -6.582 1.097 1.00 0.00 C ATOM 662 CD2 LEU A 43 102.109 -8.570 -0.099 1.00 0.00 C ATOM 0 H LEU A 43 105.020 -9.585 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 43 103.198 -8.763 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 43 105.101 -7.008 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 43 103.560 -6.549 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 43 104.049 -8.465 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.527 -6.896 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 43 103.943 -6.041 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.374 -5.931 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 43 101.603 -8.883 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 43 101.451 -7.918 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 43 102.360 -9.448 -0.694 1.00 0.00 H new ATOM 674 N TYR A 44 106.392 -8.590 -3.009 1.00 0.00 N ATOM 675 CA TYR A 44 107.368 -8.290 -4.094 1.00 0.00 C ATOM 676 C TYR A 44 106.965 -9.060 -5.354 1.00 0.00 C ATOM 677 O TYR A 44 106.779 -8.491 -6.410 1.00 0.00 O ATOM 678 CB TYR A 44 108.771 -8.720 -3.648 1.00 0.00 C ATOM 679 CG TYR A 44 109.815 -8.225 -4.630 1.00 0.00 C ATOM 680 CD1 TYR A 44 109.821 -8.697 -5.947 1.00 0.00 C ATOM 681 CD2 TYR A 44 110.789 -7.307 -4.213 1.00 0.00 C ATOM 682 CE1 TYR A 44 110.794 -8.251 -6.848 1.00 0.00 C ATOM 683 CE2 TYR A 44 111.767 -6.863 -5.113 1.00 0.00 C ATOM 684 CZ TYR A 44 111.768 -7.334 -6.434 1.00 0.00 C ATOM 685 OH TYR A 44 112.728 -6.900 -7.327 1.00 0.00 O ATOM 0 H TYR A 44 106.774 -9.089 -2.206 1.00 0.00 H new ATOM 0 HA TYR A 44 107.372 -7.221 -4.307 1.00 0.00 H new ATOM 0 HB2 TYR A 44 108.981 -8.324 -2.655 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.819 -9.806 -3.574 1.00 0.00 H new ATOM 0 HD1 TYR A 44 109.073 -9.407 -6.269 1.00 0.00 H new ATOM 0 HD2 TYR A 44 110.786 -6.941 -3.197 1.00 0.00 H new ATOM 0 HE1 TYR A 44 110.794 -8.615 -7.865 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.519 -6.159 -4.790 1.00 0.00 H new ATOM 0 HH TYR A 44 112.858 -5.934 -7.224 1.00 0.00 H new ATOM 695 N LYS A 45 106.826 -10.354 -5.249 1.00 0.00 N ATOM 696 CA LYS A 45 106.434 -11.162 -6.437 1.00 0.00 C ATOM 697 C LYS A 45 105.013 -10.792 -6.872 1.00 0.00 C ATOM 698 O LYS A 45 104.689 -10.808 -8.043 1.00 0.00 O ATOM 699 CB LYS A 45 106.486 -12.650 -6.079 1.00 0.00 C ATOM 700 CG LYS A 45 106.590 -13.481 -7.360 1.00 0.00 C ATOM 701 CD LYS A 45 107.902 -13.156 -8.077 1.00 0.00 C ATOM 702 CE LYS A 45 108.727 -14.435 -8.236 1.00 0.00 C ATOM 703 NZ LYS A 45 109.050 -14.641 -9.676 1.00 0.00 N ATOM 0 H LYS A 45 106.967 -10.886 -4.390 1.00 0.00 H new ATOM 0 HA LYS A 45 107.124 -10.957 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 45 107.341 -12.850 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.593 -12.932 -5.522 1.00 0.00 H new ATOM 0 HG2 LYS A 45 106.548 -14.544 -7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 45 105.744 -13.268 -8.014 1.00 0.00 H new ATOM 0 HD2 LYS A 45 107.696 -12.719 -9.054 1.00 0.00 H new ATOM 0 HD3 LYS A 45 108.465 -12.415 -7.509 1.00 0.00 H new ATOM 0 HE2 LYS A 45 109.645 -14.363 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 45 108.171 -15.290 -7.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 109.611 -15.510 -9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 108.168 -14.727 -10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 109.597 -13.830 -10.029 1.00 0.00 H new ATOM 717 N LYS A 46 104.159 -10.464 -5.940 1.00 0.00 N ATOM 718 CA LYS A 46 102.761 -10.098 -6.307 1.00 0.00 C ATOM 719 C LYS A 46 102.744 -8.713 -6.958 1.00 0.00 C ATOM 720 O LYS A 46 102.611 -8.581 -8.158 1.00 0.00 O ATOM 721 CB LYS A 46 101.892 -10.082 -5.048 1.00 0.00 C ATOM 722 CG LYS A 46 101.443 -11.506 -4.718 1.00 0.00 C ATOM 723 CD LYS A 46 101.577 -11.749 -3.213 1.00 0.00 C ATOM 724 CE LYS A 46 100.258 -12.297 -2.665 1.00 0.00 C ATOM 725 NZ LYS A 46 100.178 -13.761 -2.933 1.00 0.00 N ATOM 0 H LYS A 46 104.369 -10.434 -4.942 1.00 0.00 H new ATOM 0 HA LYS A 46 102.369 -10.831 -7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.452 -9.663 -4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.023 -9.442 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 46 100.409 -11.654 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 46 102.048 -12.226 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 46 102.385 -12.454 -3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 46 101.836 -10.820 -2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 46 100.191 -12.109 -1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.417 -11.785 -3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 99.281 -14.134 -2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 100.224 -13.929 -3.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 100.973 -14.243 -2.467 1.00 0.00 H new ATOM 739 N ILE A 47 102.874 -7.677 -6.173 1.00 0.00 N ATOM 740 CA ILE A 47 102.861 -6.299 -6.743 1.00 0.00 C ATOM 741 C ILE A 47 103.708 -6.254 -8.019 1.00 0.00 C ATOM 742 O ILE A 47 103.500 -5.427 -8.882 1.00 0.00 O ATOM 743 CB ILE A 47 103.442 -5.320 -5.723 1.00 0.00 C ATOM 744 CG1 ILE A 47 102.611 -5.388 -4.418 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.444 -3.910 -6.329 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.005 -4.024 -4.050 1.00 0.00 C ATOM 0 H ILE A 47 102.989 -7.726 -5.161 1.00 0.00 H new ATOM 0 HA ILE A 47 101.834 -6.022 -6.979 1.00 0.00 H new ATOM 0 HB ILE A 47 104.471 -5.583 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 47 101.812 -6.120 -4.535 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.245 -5.735 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 47 103.857 -3.205 -5.608 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.053 -3.903 -7.233 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.423 -3.619 -6.577 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.430 -4.118 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.805 -3.297 -3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.350 -3.688 -4.854 1.00 0.00 H new ATOM 758 N MET A 48 104.670 -7.127 -8.141 1.00 0.00 N ATOM 759 CA MET A 48 105.533 -7.123 -9.358 1.00 0.00 C ATOM 760 C MET A 48 104.676 -6.920 -10.612 1.00 0.00 C ATOM 761 O MET A 48 104.929 -6.040 -11.411 1.00 0.00 O ATOM 762 CB MET A 48 106.273 -8.457 -9.464 1.00 0.00 C ATOM 763 CG MET A 48 107.494 -8.293 -10.370 1.00 0.00 C ATOM 764 SD MET A 48 108.007 -9.914 -10.993 1.00 0.00 S ATOM 765 CE MET A 48 109.296 -10.232 -9.763 1.00 0.00 C ATOM 0 H MET A 48 104.896 -7.843 -7.451 1.00 0.00 H new ATOM 0 HA MET A 48 106.251 -6.307 -9.279 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.584 -8.792 -8.474 1.00 0.00 H new ATOM 0 HB3 MET A 48 105.609 -9.222 -9.866 1.00 0.00 H new ATOM 0 HG2 MET A 48 107.256 -7.631 -11.202 1.00 0.00 H new ATOM 0 HG3 MET A 48 108.311 -7.829 -9.817 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.756 -11.200 -9.960 1.00 0.00 H new ATOM 0 HE2 MET A 48 110.054 -9.451 -9.821 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.855 -10.236 -8.766 1.00 0.00 H new ATOM 775 N GLU A 49 103.672 -7.734 -10.800 1.00 0.00 N ATOM 776 CA GLU A 49 102.813 -7.589 -12.012 1.00 0.00 C ATOM 777 C GLU A 49 101.483 -6.930 -11.634 1.00 0.00 C ATOM 778 O GLU A 49 100.869 -6.252 -12.434 1.00 0.00 O ATOM 779 CB GLU A 49 102.543 -8.971 -12.610 1.00 0.00 C ATOM 780 CG GLU A 49 102.684 -8.905 -14.132 1.00 0.00 C ATOM 781 CD GLU A 49 102.758 -10.324 -14.700 1.00 0.00 C ATOM 782 OE1 GLU A 49 103.419 -11.151 -14.093 1.00 0.00 O ATOM 783 OE2 GLU A 49 102.153 -10.559 -15.733 1.00 0.00 O ATOM 0 H GLU A 49 103.410 -8.491 -10.169 1.00 0.00 H new ATOM 0 HA GLU A 49 103.327 -6.965 -12.743 1.00 0.00 H new ATOM 0 HB2 GLU A 49 103.243 -9.699 -12.201 1.00 0.00 H new ATOM 0 HB3 GLU A 49 101.541 -9.306 -12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 49 101.836 -8.373 -14.564 1.00 0.00 H new ATOM 0 HG3 GLU A 49 103.581 -8.347 -14.401 1.00 0.00 H new ATOM 790 N LYS A 50 101.031 -7.127 -10.428 1.00 0.00 N ATOM 791 CA LYS A 50 99.737 -6.517 -10.009 1.00 0.00 C ATOM 792 C LYS A 50 99.840 -4.989 -10.072 1.00 0.00 C ATOM 793 O LYS A 50 98.845 -4.293 -10.108 1.00 0.00 O ATOM 794 CB LYS A 50 99.413 -6.944 -8.576 1.00 0.00 C ATOM 795 CG LYS A 50 98.189 -6.173 -8.077 1.00 0.00 C ATOM 796 CD LYS A 50 97.456 -6.996 -7.014 1.00 0.00 C ATOM 797 CE LYS A 50 98.465 -7.562 -6.013 1.00 0.00 C ATOM 798 NZ LYS A 50 98.824 -8.955 -6.403 1.00 0.00 N ATOM 0 H LYS A 50 101.500 -7.684 -9.714 1.00 0.00 H new ATOM 0 HA LYS A 50 98.947 -6.854 -10.680 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.220 -8.016 -8.540 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.267 -6.752 -7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.497 -5.214 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.519 -5.958 -8.909 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.727 -6.373 -6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 50 96.903 -7.808 -7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.358 -6.938 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.042 -7.552 -5.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.846 -9.558 -5.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 98.116 -9.322 -7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 99.761 -8.959 -6.855 1.00 0.00 H new ATOM 812 N TYR A 51 101.034 -4.463 -10.081 1.00 0.00 N ATOM 813 CA TYR A 51 101.197 -2.982 -10.135 1.00 0.00 C ATOM 814 C TYR A 51 102.266 -2.610 -11.165 1.00 0.00 C ATOM 815 O TYR A 51 102.626 -1.458 -11.300 1.00 0.00 O ATOM 816 CB TYR A 51 101.639 -2.469 -8.764 1.00 0.00 C ATOM 817 CG TYR A 51 100.437 -2.318 -7.868 1.00 0.00 C ATOM 818 CD1 TYR A 51 99.942 -3.424 -7.173 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.813 -1.073 -7.739 1.00 0.00 C ATOM 820 CE1 TYR A 51 98.824 -3.285 -6.345 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.696 -0.932 -6.918 1.00 0.00 C ATOM 822 CZ TYR A 51 98.198 -2.038 -6.218 1.00 0.00 C ATOM 823 OH TYR A 51 97.091 -1.900 -5.405 1.00 0.00 O ATOM 0 H TYR A 51 101.904 -4.995 -10.053 1.00 0.00 H new ATOM 0 HA TYR A 51 100.245 -2.532 -10.417 1.00 0.00 H new ATOM 0 HB2 TYR A 51 102.352 -3.162 -8.318 1.00 0.00 H new ATOM 0 HB3 TYR A 51 102.149 -1.511 -8.870 1.00 0.00 H new ATOM 0 HD1 TYR A 51 100.423 -4.386 -7.275 1.00 0.00 H new ATOM 0 HD2 TYR A 51 100.198 -0.219 -8.277 1.00 0.00 H new ATOM 0 HE1 TYR A 51 98.443 -4.138 -5.804 1.00 0.00 H new ATOM 0 HE2 TYR A 51 98.214 0.030 -6.822 1.00 0.00 H new ATOM 0 HH TYR A 51 96.781 -0.971 -5.429 1.00 0.00 H new ATOM 833 N SER A 52 102.791 -3.569 -11.879 1.00 0.00 N ATOM 834 CA SER A 52 103.849 -3.242 -12.875 1.00 0.00 C ATOM 835 C SER A 52 104.861 -2.313 -12.205 1.00 0.00 C ATOM 836 O SER A 52 105.319 -1.349 -12.786 1.00 0.00 O ATOM 837 CB SER A 52 103.225 -2.537 -14.080 1.00 0.00 C ATOM 838 OG SER A 52 102.504 -3.486 -14.855 1.00 0.00 O ATOM 0 H SER A 52 102.536 -4.555 -11.817 1.00 0.00 H new ATOM 0 HA SER A 52 104.339 -4.154 -13.217 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.559 -1.741 -13.746 1.00 0.00 H new ATOM 0 HB3 SER A 52 104.002 -2.070 -14.686 1.00 0.00 H new ATOM 0 HG SER A 52 102.101 -3.038 -15.628 1.00 0.00 H new ATOM 844 N VAL A 53 105.189 -2.595 -10.974 1.00 0.00 N ATOM 845 CA VAL A 53 106.150 -1.738 -10.225 1.00 0.00 C ATOM 846 C VAL A 53 107.267 -1.246 -11.137 1.00 0.00 C ATOM 847 O VAL A 53 108.071 -2.016 -11.623 1.00 0.00 O ATOM 848 CB VAL A 53 106.770 -2.542 -9.087 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.673 -3.004 -8.129 1.00 0.00 C ATOM 850 CG2 VAL A 53 107.488 -3.763 -9.665 1.00 0.00 C ATOM 0 H VAL A 53 104.828 -3.392 -10.450 1.00 0.00 H new ATOM 0 HA VAL A 53 105.605 -0.879 -9.834 1.00 0.00 H new ATOM 0 HB VAL A 53 107.482 -1.919 -8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 53 106.118 -3.578 -7.316 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.158 -2.135 -7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.960 -3.629 -8.667 1.00 0.00 H new ATOM 0 HG21 VAL A 53 107.933 -4.341 -8.855 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.773 -4.384 -10.204 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.271 -3.435 -10.349 1.00 0.00 H new ATOM 860 N THR A 54 107.351 0.039 -11.341 1.00 0.00 N ATOM 861 CA THR A 54 108.450 0.573 -12.186 1.00 0.00 C ATOM 862 C THR A 54 109.764 0.158 -11.532 1.00 0.00 C ATOM 863 O THR A 54 110.802 0.091 -12.159 1.00 0.00 O ATOM 864 CB THR A 54 108.359 2.100 -12.250 1.00 0.00 C ATOM 865 OG1 THR A 54 107.259 2.473 -13.069 1.00 0.00 O ATOM 866 CG2 THR A 54 109.651 2.666 -12.839 1.00 0.00 C ATOM 0 H THR A 54 106.711 0.736 -10.962 1.00 0.00 H new ATOM 0 HA THR A 54 108.384 0.184 -13.202 1.00 0.00 H new ATOM 0 HB THR A 54 108.216 2.498 -11.245 1.00 0.00 H new ATOM 0 HG1 THR A 54 107.198 3.450 -13.110 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.585 3.753 -12.884 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.494 2.380 -12.210 1.00 0.00 H new ATOM 0 HG23 THR A 54 109.797 2.270 -13.844 1.00 0.00 H new ATOM 874 N PHE A 55 109.706 -0.138 -10.261 1.00 0.00 N ATOM 875 CA PHE A 55 110.913 -0.573 -9.518 1.00 0.00 C ATOM 876 C PHE A 55 110.465 -1.261 -8.233 1.00 0.00 C ATOM 877 O PHE A 55 109.787 -0.673 -7.411 1.00 0.00 O ATOM 878 CB PHE A 55 111.770 0.637 -9.155 1.00 0.00 C ATOM 879 CG PHE A 55 112.934 0.180 -8.303 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.544 -1.057 -8.547 1.00 0.00 C ATOM 881 CD2 PHE A 55 113.397 0.990 -7.263 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.614 -1.477 -7.754 1.00 0.00 C ATOM 883 CE2 PHE A 55 114.467 0.569 -6.466 1.00 0.00 C ATOM 884 CZ PHE A 55 115.077 -0.666 -6.713 1.00 0.00 C ATOM 0 H PHE A 55 108.855 -0.094 -9.701 1.00 0.00 H new ATOM 0 HA PHE A 55 111.498 -1.252 -10.138 1.00 0.00 H new ATOM 0 HB2 PHE A 55 112.134 1.125 -10.059 1.00 0.00 H new ATOM 0 HB3 PHE A 55 111.174 1.372 -8.614 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.187 -1.686 -9.349 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.927 1.944 -7.074 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.085 -2.430 -7.945 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.822 1.196 -5.661 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.904 -0.992 -6.100 1.00 0.00 H new ATOM 894 N ILE A 56 110.830 -2.495 -8.044 1.00 0.00 N ATOM 895 CA ILE A 56 110.418 -3.197 -6.802 1.00 0.00 C ATOM 896 C ILE A 56 111.661 -3.796 -6.146 1.00 0.00 C ATOM 897 O ILE A 56 112.225 -4.755 -6.624 1.00 0.00 O ATOM 898 CB ILE A 56 109.403 -4.290 -7.147 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.020 -5.059 -5.882 1.00 0.00 C ATOM 900 CG2 ILE A 56 110.002 -5.251 -8.173 1.00 0.00 C ATOM 901 CD1 ILE A 56 107.886 -6.031 -6.208 1.00 0.00 C ATOM 0 H ILE A 56 111.393 -3.045 -8.692 1.00 0.00 H new ATOM 0 HA ILE A 56 109.948 -2.501 -6.107 1.00 0.00 H new ATOM 0 HB ILE A 56 108.511 -3.827 -7.569 1.00 0.00 H new ATOM 0 HG12 ILE A 56 109.883 -5.604 -5.498 1.00 0.00 H new ATOM 0 HG13 ILE A 56 108.707 -4.366 -5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.274 -6.026 -8.414 1.00 0.00 H new ATOM 0 HG22 ILE A 56 110.260 -4.702 -9.078 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.899 -5.712 -7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 56 107.609 -6.582 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 56 107.023 -5.474 -6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.216 -6.731 -6.975 1.00 0.00 H new ATOM 913 N SER A 57 112.116 -3.210 -5.074 1.00 0.00 N ATOM 914 CA SER A 57 113.351 -3.723 -4.415 1.00 0.00 C ATOM 915 C SER A 57 113.040 -4.299 -3.031 1.00 0.00 C ATOM 916 O SER A 57 111.971 -4.124 -2.488 1.00 0.00 O ATOM 917 CB SER A 57 114.339 -2.569 -4.253 1.00 0.00 C ATOM 918 OG SER A 57 113.658 -1.336 -4.451 1.00 0.00 O ATOM 0 H SER A 57 111.688 -2.400 -4.626 1.00 0.00 H new ATOM 0 HA SER A 57 113.772 -4.514 -5.036 1.00 0.00 H new ATOM 0 HB2 SER A 57 114.787 -2.595 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 57 115.152 -2.668 -4.972 1.00 0.00 H new ATOM 0 HG SER A 57 113.757 -1.054 -5.384 1.00 0.00 H new ATOM 924 N ARG A 58 114.000 -4.972 -2.459 1.00 0.00 N ATOM 925 CA ARG A 58 113.825 -5.560 -1.101 1.00 0.00 C ATOM 926 C ARG A 58 115.144 -5.386 -0.337 1.00 0.00 C ATOM 927 O ARG A 58 116.162 -5.940 -0.710 1.00 0.00 O ATOM 928 CB ARG A 58 113.489 -7.048 -1.221 1.00 0.00 C ATOM 929 CG ARG A 58 113.141 -7.605 0.161 1.00 0.00 C ATOM 930 CD ARG A 58 112.600 -9.028 0.018 1.00 0.00 C ATOM 931 NE ARG A 58 113.737 -9.989 -0.022 1.00 0.00 N ATOM 932 CZ ARG A 58 113.508 -11.265 -0.169 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.517 -11.670 -0.915 1.00 0.00 N ATOM 934 NH2 ARG A 58 114.270 -12.138 0.431 1.00 0.00 N ATOM 0 H ARG A 58 114.912 -5.142 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 58 113.012 -5.062 -0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 58 112.651 -7.189 -1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 58 114.336 -7.590 -1.641 1.00 0.00 H new ATOM 0 HG2 ARG A 58 114.025 -7.603 0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 58 112.399 -6.970 0.644 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.940 -9.263 0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 58 112.006 -9.113 -0.892 1.00 0.00 H new ATOM 0 HE ARG A 58 114.695 -9.650 0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 58 111.920 -10.989 -1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 58 112.339 -12.668 -1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 58 115.045 -11.823 1.015 1.00 0.00 H new ATOM 0 HH22 ARG A 58 114.091 -13.136 0.316 1.00 0.00 H new ATOM 948 N HIS A 59 115.149 -4.602 0.711 1.00 0.00 N ATOM 949 CA HIS A 59 116.419 -4.384 1.464 1.00 0.00 C ATOM 950 C HIS A 59 116.282 -4.873 2.908 1.00 0.00 C ATOM 951 O HIS A 59 115.238 -5.324 3.333 1.00 0.00 O ATOM 952 CB HIS A 59 116.747 -2.889 1.480 1.00 0.00 C ATOM 953 CG HIS A 59 116.796 -2.364 0.073 1.00 0.00 C ATOM 954 ND1 HIS A 59 117.861 -1.613 -0.400 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.915 -2.464 -0.974 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.596 -1.293 -1.679 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.422 -1.787 -2.080 1.00 0.00 N ATOM 0 H HIS A 59 114.335 -4.107 1.075 1.00 0.00 H new ATOM 0 HA HIS A 59 117.214 -4.944 0.972 1.00 0.00 H new ATOM 0 HB2 HIS A 59 115.994 -2.348 2.054 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.704 -2.723 1.974 1.00 0.00 H new ATOM 0 HD1 HIS A 59 118.694 -1.351 0.127 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.971 -2.988 -0.945 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.253 -0.708 -2.306 1.00 0.00 H new ATOM 965 N ASN A 60 117.344 -4.772 3.666 1.00 0.00 N ATOM 966 CA ASN A 60 117.309 -5.210 5.089 1.00 0.00 C ATOM 967 C ASN A 60 117.556 -3.997 5.988 1.00 0.00 C ATOM 968 O ASN A 60 118.572 -3.339 5.888 1.00 0.00 O ATOM 969 CB ASN A 60 118.410 -6.245 5.335 1.00 0.00 C ATOM 970 CG ASN A 60 117.964 -7.608 4.808 1.00 0.00 C ATOM 971 OD1 ASN A 60 118.723 -8.299 4.160 1.00 0.00 O ATOM 972 ND2 ASN A 60 116.758 -8.028 5.066 1.00 0.00 N ATOM 0 H ASN A 60 118.241 -4.401 3.354 1.00 0.00 H new ATOM 0 HA ASN A 60 116.338 -5.652 5.312 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.330 -5.936 4.839 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.629 -6.311 6.401 1.00 0.00 H new ATOM 0 HD21 ASN A 60 116.451 -8.938 4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 60 116.121 -7.447 5.611 1.00 0.00 H new ATOM 979 N SER A 61 116.639 -3.692 6.864 1.00 0.00 N ATOM 980 CA SER A 61 116.834 -2.519 7.761 1.00 0.00 C ATOM 981 C SER A 61 117.429 -2.982 9.092 1.00 0.00 C ATOM 982 O SER A 61 118.608 -2.831 9.340 1.00 0.00 O ATOM 983 CB SER A 61 115.490 -1.839 8.011 1.00 0.00 C ATOM 984 OG SER A 61 114.463 -2.821 8.009 1.00 0.00 O ATOM 0 H SER A 61 115.766 -4.202 6.997 1.00 0.00 H new ATOM 0 HA SER A 61 117.516 -1.812 7.288 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.506 -1.314 8.966 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.298 -1.092 7.241 1.00 0.00 H new ATOM 0 HG SER A 61 113.816 -2.620 8.717 1.00 0.00 H new ATOM 990 N TYR A 62 116.624 -3.543 9.953 1.00 0.00 N ATOM 991 CA TYR A 62 117.153 -4.010 11.266 1.00 0.00 C ATOM 992 C TYR A 62 116.495 -5.338 11.645 1.00 0.00 C ATOM 993 O TYR A 62 117.135 -6.371 11.674 1.00 0.00 O ATOM 994 CB TYR A 62 116.844 -2.967 12.343 1.00 0.00 C ATOM 995 CG TYR A 62 117.286 -1.604 11.867 1.00 0.00 C ATOM 996 CD1 TYR A 62 116.422 -0.817 11.096 1.00 0.00 C ATOM 997 CD2 TYR A 62 118.559 -1.125 12.197 1.00 0.00 C ATOM 998 CE1 TYR A 62 116.831 0.445 10.655 1.00 0.00 C ATOM 999 CE2 TYR A 62 118.968 0.137 11.757 1.00 0.00 C ATOM 1000 CZ TYR A 62 118.104 0.923 10.985 1.00 0.00 C ATOM 1001 OH TYR A 62 118.508 2.170 10.550 1.00 0.00 O ATOM 0 H TYR A 62 115.627 -3.698 9.805 1.00 0.00 H new ATOM 0 HA TYR A 62 118.231 -4.148 11.189 1.00 0.00 H new ATOM 0 HB2 TYR A 62 115.776 -2.959 12.561 1.00 0.00 H new ATOM 0 HB3 TYR A 62 117.356 -3.224 13.270 1.00 0.00 H new ATOM 0 HD1 TYR A 62 115.439 -1.185 10.842 1.00 0.00 H new ATOM 0 HD2 TYR A 62 119.226 -1.731 12.792 1.00 0.00 H new ATOM 0 HE1 TYR A 62 116.164 1.051 10.060 1.00 0.00 H new ATOM 0 HE2 TYR A 62 119.950 0.506 12.012 1.00 0.00 H new ATOM 0 HH TYR A 62 118.154 2.333 9.651 1.00 0.00 H new ATOM 1011 N ASN A 63 115.225 -5.320 11.941 1.00 0.00 N ATOM 1012 CA ASN A 63 114.533 -6.583 12.323 1.00 0.00 C ATOM 1013 C ASN A 63 113.694 -7.089 11.150 1.00 0.00 C ATOM 1014 O ASN A 63 113.213 -8.205 11.160 1.00 0.00 O ATOM 1015 CB ASN A 63 113.620 -6.320 13.523 1.00 0.00 C ATOM 1016 CG ASN A 63 114.473 -6.020 14.758 1.00 0.00 C ATOM 1017 OD1 ASN A 63 114.560 -6.829 15.661 1.00 0.00 O ATOM 1018 ND2 ASN A 63 115.108 -4.884 14.838 1.00 0.00 N ATOM 0 H ASN A 63 114.637 -4.487 11.935 1.00 0.00 H new ATOM 0 HA ASN A 63 115.277 -7.335 12.585 1.00 0.00 H new ATOM 0 HB2 ASN A 63 112.958 -5.480 13.312 1.00 0.00 H new ATOM 0 HB3 ASN A 63 112.986 -7.187 13.708 1.00 0.00 H new ATOM 0 HD21 ASN A 63 115.677 -4.675 15.658 1.00 0.00 H new ATOM 0 HD22 ASN A 63 115.035 -4.205 14.081 1.00 0.00 H new ATOM 1025 N HIS A 64 113.507 -6.284 10.139 1.00 0.00 N ATOM 1026 CA HIS A 64 112.689 -6.737 8.979 1.00 0.00 C ATOM 1027 C HIS A 64 113.289 -6.209 7.675 1.00 0.00 C ATOM 1028 O HIS A 64 114.430 -5.795 7.626 1.00 0.00 O ATOM 1029 CB HIS A 64 111.262 -6.219 9.140 1.00 0.00 C ATOM 1030 CG HIS A 64 110.748 -6.621 10.494 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.236 -5.702 11.393 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.677 -7.840 11.120 1.00 0.00 C ATOM 1033 CE1 HIS A 64 109.884 -6.377 12.504 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.131 -7.683 12.389 1.00 0.00 N ATOM 0 H HIS A 64 113.883 -5.339 10.067 1.00 0.00 H new ATOM 0 HA HIS A 64 112.682 -7.826 8.944 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.241 -5.134 9.036 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.622 -6.627 8.358 1.00 0.00 H new ATOM 0 HD2 HIS A 64 110.997 -8.779 10.692 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.454 -5.917 13.381 1.00 0.00 H new ATOM 0 HE2 HIS A 64 109.957 -8.410 13.083 1.00 0.00 H new ATOM 1042 N ASN A 65 112.530 -6.233 6.611 1.00 0.00 N ATOM 1043 CA ASN A 65 113.062 -5.748 5.307 1.00 0.00 C ATOM 1044 C ASN A 65 112.249 -4.547 4.820 1.00 0.00 C ATOM 1045 O ASN A 65 111.069 -4.426 5.093 1.00 0.00 O ATOM 1046 CB ASN A 65 112.961 -6.872 4.273 1.00 0.00 C ATOM 1047 CG ASN A 65 114.057 -7.906 4.528 1.00 0.00 C ATOM 1048 OD1 ASN A 65 114.805 -8.244 3.633 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.180 -8.431 5.716 1.00 0.00 N ATOM 0 H ASN A 65 111.567 -6.567 6.590 1.00 0.00 H new ATOM 0 HA ASN A 65 114.102 -5.448 5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 65 111.981 -7.345 4.330 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.059 -6.464 3.267 1.00 0.00 H new ATOM 0 HD21 ASN A 65 114.905 -9.126 5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 65 113.551 -8.146 6.467 1.00 0.00 H new ATOM 1056 N ILE A 66 112.871 -3.664 4.085 1.00 0.00 N ATOM 1057 CA ILE A 66 112.142 -2.475 3.560 1.00 0.00 C ATOM 1058 C ILE A 66 111.707 -2.770 2.124 1.00 0.00 C ATOM 1059 O ILE A 66 112.518 -2.828 1.221 1.00 0.00 O ATOM 1060 CB ILE A 66 113.071 -1.250 3.589 1.00 0.00 C ATOM 1061 CG1 ILE A 66 112.987 -0.591 4.967 1.00 0.00 C ATOM 1062 CG2 ILE A 66 112.654 -0.229 2.518 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.358 -1.612 6.042 1.00 0.00 C ATOM 0 H ILE A 66 113.856 -3.716 3.825 1.00 0.00 H new ATOM 0 HA ILE A 66 111.267 -2.265 4.175 1.00 0.00 H new ATOM 0 HB ILE A 66 114.091 -1.577 3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 66 113.661 0.265 5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.979 -0.213 5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 66 113.323 0.631 2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 66 112.711 -0.692 1.533 1.00 0.00 H new ATOM 0 HG23 ILE A 66 111.632 0.099 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.299 -1.144 7.025 1.00 0.00 H new ATOM 0 HD12 ILE A 66 112.667 -2.454 5.999 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.374 -1.968 5.871 1.00 0.00 H new ATOM 1075 N LEU A 67 110.439 -2.959 1.904 1.00 0.00 N ATOM 1076 CA LEU A 67 109.971 -3.253 0.525 1.00 0.00 C ATOM 1077 C LEU A 67 109.785 -1.948 -0.248 1.00 0.00 C ATOM 1078 O LEU A 67 109.302 -0.961 0.268 1.00 0.00 O ATOM 1079 CB LEU A 67 108.646 -4.007 0.577 1.00 0.00 C ATOM 1080 CG LEU A 67 108.145 -4.249 -0.849 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.168 -5.087 -1.620 1.00 0.00 C ATOM 1082 CD2 LEU A 67 106.815 -5.000 -0.799 1.00 0.00 C ATOM 0 H LEU A 67 109.709 -2.923 2.616 1.00 0.00 H new ATOM 0 HA LEU A 67 110.716 -3.868 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 67 108.775 -4.957 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.910 -3.434 1.141 1.00 0.00 H new ATOM 0 HG LEU A 67 108.009 -3.291 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.808 -5.257 -2.635 1.00 0.00 H new ATOM 0 HD12 LEU A 67 110.119 -4.556 -1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 67 109.306 -6.045 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.457 -5.173 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.956 -5.957 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.082 -4.407 -0.252 1.00 0.00 H new ATOM 1094 N PHE A 68 110.168 -1.958 -1.488 1.00 0.00 N ATOM 1095 CA PHE A 68 110.036 -0.752 -2.347 1.00 0.00 C ATOM 1096 C PHE A 68 109.214 -1.132 -3.574 1.00 0.00 C ATOM 1097 O PHE A 68 109.455 -2.152 -4.182 1.00 0.00 O ATOM 1098 CB PHE A 68 111.432 -0.335 -2.821 1.00 0.00 C ATOM 1099 CG PHE A 68 111.985 0.841 -2.041 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.287 1.418 -0.966 1.00 0.00 C ATOM 1101 CD2 PHE A 68 113.227 1.361 -2.419 1.00 0.00 C ATOM 1102 CE1 PHE A 68 111.838 2.506 -0.283 1.00 0.00 C ATOM 1103 CE2 PHE A 68 113.773 2.447 -1.737 1.00 0.00 C ATOM 1104 CZ PHE A 68 113.082 3.020 -0.671 1.00 0.00 C ATOM 0 H PHE A 68 110.576 -2.768 -1.954 1.00 0.00 H new ATOM 0 HA PHE A 68 109.562 0.059 -1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 68 112.112 -1.182 -2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 68 111.390 -0.077 -3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.327 1.022 -0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.766 0.919 -3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.304 2.951 0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 68 114.732 2.845 -2.035 1.00 0.00 H new ATOM 0 HZ PHE A 68 113.506 3.861 -0.143 1.00 0.00 H new ATOM 1114 N PHE A 69 108.256 -0.338 -3.962 1.00 0.00 N ATOM 1115 CA PHE A 69 107.472 -0.706 -5.173 1.00 0.00 C ATOM 1116 C PHE A 69 106.698 0.504 -5.694 1.00 0.00 C ATOM 1117 O PHE A 69 105.822 1.037 -5.037 1.00 0.00 O ATOM 1118 CB PHE A 69 106.523 -1.867 -4.849 1.00 0.00 C ATOM 1119 CG PHE A 69 105.246 -1.367 -4.216 1.00 0.00 C ATOM 1120 CD1 PHE A 69 105.193 -1.128 -2.839 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.108 -1.167 -5.007 1.00 0.00 C ATOM 1122 CE1 PHE A 69 104.001 -0.685 -2.253 1.00 0.00 C ATOM 1123 CE2 PHE A 69 102.918 -0.728 -4.422 1.00 0.00 C ATOM 1124 CZ PHE A 69 102.863 -0.486 -3.045 1.00 0.00 C ATOM 0 H PHE A 69 107.986 0.532 -3.504 1.00 0.00 H new ATOM 0 HA PHE A 69 108.158 -1.029 -5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.289 -2.415 -5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 69 107.017 -2.567 -4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 69 106.070 -1.285 -2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 69 104.150 -1.352 -6.070 1.00 0.00 H new ATOM 0 HE1 PHE A 69 103.959 -0.497 -1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 69 102.040 -0.575 -5.033 1.00 0.00 H new ATOM 0 HZ PHE A 69 101.943 -0.146 -2.593 1.00 0.00 H new ATOM 1134 N LEU A 70 107.026 0.939 -6.881 1.00 0.00 N ATOM 1135 CA LEU A 70 106.326 2.112 -7.474 1.00 0.00 C ATOM 1136 C LEU A 70 105.157 1.621 -8.326 1.00 0.00 C ATOM 1137 O LEU A 70 104.858 0.444 -8.371 1.00 0.00 O ATOM 1138 CB LEU A 70 107.294 2.893 -8.366 1.00 0.00 C ATOM 1139 CG LEU A 70 108.563 3.226 -7.585 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.717 3.452 -8.562 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.336 4.498 -6.770 1.00 0.00 C ATOM 0 H LEU A 70 107.753 0.529 -7.467 1.00 0.00 H new ATOM 0 HA LEU A 70 105.963 2.757 -6.674 1.00 0.00 H new ATOM 0 HB2 LEU A 70 107.543 2.305 -9.249 1.00 0.00 H new ATOM 0 HB3 LEU A 70 106.821 3.810 -8.716 1.00 0.00 H new ATOM 0 HG LEU A 70 108.807 2.400 -6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 70 110.624 3.690 -8.006 1.00 0.00 H new ATOM 0 HD12 LEU A 70 109.879 2.548 -9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.473 4.279 -9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.240 4.738 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 70 108.095 5.322 -7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.511 4.342 -6.075 1.00 0.00 H new ATOM 1153 N THR A 71 104.502 2.514 -9.011 1.00 0.00 N ATOM 1154 CA THR A 71 103.360 2.102 -9.871 1.00 0.00 C ATOM 1155 C THR A 71 103.199 3.115 -11.010 1.00 0.00 C ATOM 1156 O THR A 71 103.397 4.298 -10.815 1.00 0.00 O ATOM 1157 CB THR A 71 102.080 2.053 -9.034 1.00 0.00 C ATOM 1158 OG1 THR A 71 101.589 3.371 -8.842 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.375 1.413 -7.675 1.00 0.00 C ATOM 0 H THR A 71 104.708 3.513 -9.013 1.00 0.00 H new ATOM 0 HA THR A 71 103.550 1.113 -10.288 1.00 0.00 H new ATOM 0 HB THR A 71 101.331 1.458 -9.556 1.00 0.00 H new ATOM 0 HG1 THR A 71 100.694 3.447 -9.233 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.461 1.380 -7.082 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.748 0.400 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 71 103.127 2.003 -7.150 1.00 0.00 H new ATOM 1167 N PRO A 72 102.853 2.618 -12.172 1.00 0.00 N ATOM 1168 CA PRO A 72 102.667 3.457 -13.368 1.00 0.00 C ATOM 1169 C PRO A 72 101.321 4.184 -13.312 1.00 0.00 C ATOM 1170 O PRO A 72 101.182 5.291 -13.792 1.00 0.00 O ATOM 1171 CB PRO A 72 102.699 2.448 -14.521 1.00 0.00 C ATOM 1172 CG PRO A 72 102.335 1.075 -13.910 1.00 0.00 C ATOM 1173 CD PRO A 72 102.611 1.178 -12.398 1.00 0.00 C ATOM 0 HA PRO A 72 103.424 4.235 -13.468 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.990 2.726 -15.301 1.00 0.00 H new ATOM 0 HB3 PRO A 72 103.686 2.418 -14.984 1.00 0.00 H new ATOM 0 HG2 PRO A 72 101.289 0.833 -14.097 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.931 0.281 -14.359 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.764 0.820 -11.813 1.00 0.00 H new ATOM 0 HD3 PRO A 72 103.474 0.579 -12.109 1.00 0.00 H new ATOM 1181 N HIS A 73 100.329 3.572 -12.728 1.00 0.00 N ATOM 1182 CA HIS A 73 98.996 4.231 -12.643 1.00 0.00 C ATOM 1183 C HIS A 73 98.970 5.176 -11.435 1.00 0.00 C ATOM 1184 O HIS A 73 100.002 5.556 -10.919 1.00 0.00 O ATOM 1185 CB HIS A 73 97.909 3.159 -12.504 1.00 0.00 C ATOM 1186 CG HIS A 73 98.289 2.157 -11.444 1.00 0.00 C ATOM 1187 ND1 HIS A 73 98.876 2.523 -10.241 1.00 0.00 N ATOM 1188 CD2 HIS A 73 98.121 0.795 -11.377 1.00 0.00 C ATOM 1189 CE1 HIS A 73 99.027 1.406 -9.507 1.00 0.00 C ATOM 1190 NE2 HIS A 73 98.587 0.324 -10.153 1.00 0.00 N ATOM 0 H HIS A 73 100.383 2.645 -12.306 1.00 0.00 H new ATOM 0 HA HIS A 73 98.810 4.810 -13.548 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.959 3.627 -12.246 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.766 2.652 -13.458 1.00 0.00 H new ATOM 0 HD2 HIS A 73 97.692 0.182 -12.156 1.00 0.00 H new ATOM 0 HE1 HIS A 73 99.453 1.387 -8.515 1.00 0.00 H new ATOM 0 HE2 HIS A 73 98.591 -0.640 -9.821 1.00 0.00 H new ATOM 1198 N ARG A 74 97.807 5.564 -10.981 1.00 0.00 N ATOM 1199 CA ARG A 74 97.739 6.486 -9.809 1.00 0.00 C ATOM 1200 C ARG A 74 96.679 5.991 -8.818 1.00 0.00 C ATOM 1201 O ARG A 74 95.660 5.451 -9.200 1.00 0.00 O ATOM 1202 CB ARG A 74 97.368 7.892 -10.288 1.00 0.00 C ATOM 1203 CG ARG A 74 98.524 8.477 -11.103 1.00 0.00 C ATOM 1204 CD ARG A 74 98.758 9.932 -10.688 1.00 0.00 C ATOM 1205 NE ARG A 74 98.370 10.837 -11.806 1.00 0.00 N ATOM 1206 CZ ARG A 74 99.161 11.814 -12.162 1.00 0.00 C ATOM 1207 NH1 ARG A 74 99.243 12.889 -11.427 1.00 0.00 N ATOM 1208 NH2 ARG A 74 99.869 11.714 -13.254 1.00 0.00 N ATOM 0 H ARG A 74 96.906 5.284 -11.369 1.00 0.00 H new ATOM 0 HA ARG A 74 98.710 6.510 -9.315 1.00 0.00 H new ATOM 0 HB2 ARG A 74 96.464 7.854 -10.896 1.00 0.00 H new ATOM 0 HB3 ARG A 74 97.151 8.533 -9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 74 99.429 7.892 -10.941 1.00 0.00 H new ATOM 0 HG3 ARG A 74 98.296 8.424 -12.167 1.00 0.00 H new ATOM 0 HD2 ARG A 74 98.174 10.166 -9.798 1.00 0.00 H new ATOM 0 HD3 ARG A 74 99.806 10.084 -10.431 1.00 0.00 H new ATOM 0 HE ARG A 74 97.486 10.694 -12.294 1.00 0.00 H new ATOM 0 HH11 ARG A 74 98.689 12.967 -10.574 1.00 0.00 H new ATOM 0 HH12 ARG A 74 99.861 13.651 -11.706 1.00 0.00 H new ATOM 0 HH21 ARG A 74 99.804 10.874 -13.829 1.00 0.00 H new ATOM 0 HH22 ARG A 74 100.487 12.476 -13.533 1.00 0.00 H new ATOM 1222 N HIS A 75 96.914 6.176 -7.545 1.00 0.00 N ATOM 1223 CA HIS A 75 95.924 5.725 -6.524 1.00 0.00 C ATOM 1224 C HIS A 75 96.144 6.487 -5.221 1.00 0.00 C ATOM 1225 O HIS A 75 97.230 6.950 -4.935 1.00 0.00 O ATOM 1226 CB HIS A 75 96.108 4.236 -6.241 1.00 0.00 C ATOM 1227 CG HIS A 75 96.083 3.472 -7.527 1.00 0.00 C ATOM 1228 ND1 HIS A 75 94.905 3.006 -8.088 1.00 0.00 N ATOM 1229 CD2 HIS A 75 97.086 3.081 -8.372 1.00 0.00 C ATOM 1230 CE1 HIS A 75 95.225 2.363 -9.223 1.00 0.00 C ATOM 1231 NE2 HIS A 75 96.540 2.378 -9.444 1.00 0.00 N ATOM 0 H HIS A 75 97.751 6.621 -7.168 1.00 0.00 H new ATOM 0 HA HIS A 75 94.921 5.912 -6.908 1.00 0.00 H new ATOM 0 HB2 HIS A 75 97.053 4.068 -5.725 1.00 0.00 H new ATOM 0 HB3 HIS A 75 95.317 3.881 -5.580 1.00 0.00 H new ATOM 0 HD1 HIS A 75 93.966 3.129 -7.708 1.00 0.00 H new ATOM 0 HD2 HIS A 75 98.137 3.285 -8.230 1.00 0.00 H new ATOM 0 HE1 HIS A 75 94.506 1.892 -9.876 1.00 0.00 H new ATOM 1239 N ARG A 76 95.128 6.598 -4.414 1.00 0.00 N ATOM 1240 CA ARG A 76 95.291 7.302 -3.116 1.00 0.00 C ATOM 1241 C ARG A 76 96.023 6.366 -2.156 1.00 0.00 C ATOM 1242 O ARG A 76 95.744 5.185 -2.099 1.00 0.00 O ATOM 1243 CB ARG A 76 93.916 7.653 -2.542 1.00 0.00 C ATOM 1244 CG ARG A 76 92.965 8.027 -3.681 1.00 0.00 C ATOM 1245 CD ARG A 76 91.777 8.809 -3.118 1.00 0.00 C ATOM 1246 NE ARG A 76 90.506 8.184 -3.582 1.00 0.00 N ATOM 1247 CZ ARG A 76 90.204 6.968 -3.213 1.00 0.00 C ATOM 1248 NH1 ARG A 76 90.788 6.437 -2.174 1.00 0.00 N ATOM 1249 NH2 ARG A 76 89.318 6.285 -3.884 1.00 0.00 N ATOM 0 H ARG A 76 94.194 6.232 -4.597 1.00 0.00 H new ATOM 0 HA ARG A 76 95.859 8.222 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.516 6.806 -1.984 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.004 8.483 -1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 76 93.489 8.627 -4.425 1.00 0.00 H new ATOM 0 HG3 ARG A 76 92.615 7.127 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 76 91.815 8.815 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 76 91.824 9.848 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 76 89.872 8.706 -4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 76 91.481 6.972 -1.650 1.00 0.00 H new ATOM 0 HH12 ARG A 76 90.552 5.487 -1.886 1.00 0.00 H new ATOM 0 HH21 ARG A 76 88.862 6.701 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 76 89.082 5.335 -3.597 1.00 0.00 H new ATOM 1263 N VAL A 77 96.962 6.871 -1.407 1.00 0.00 N ATOM 1264 CA VAL A 77 97.705 5.989 -0.464 1.00 0.00 C ATOM 1265 C VAL A 77 96.714 5.089 0.283 1.00 0.00 C ATOM 1266 O VAL A 77 97.069 4.031 0.759 1.00 0.00 O ATOM 1267 CB VAL A 77 98.503 6.849 0.522 1.00 0.00 C ATOM 1268 CG1 VAL A 77 98.854 6.035 1.771 1.00 0.00 C ATOM 1269 CG2 VAL A 77 99.794 7.308 -0.161 1.00 0.00 C ATOM 0 H VAL A 77 97.247 7.851 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 77 98.400 5.359 -1.018 1.00 0.00 H new ATOM 0 HB VAL A 77 97.904 7.710 0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 77 99.421 6.657 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 77 97.937 5.697 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 77 99.454 5.171 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 77 100.373 7.922 0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 77 100.381 6.437 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 77 99.549 7.893 -1.048 1.00 0.00 H new ATOM 1279 N SER A 78 95.476 5.492 0.385 1.00 0.00 N ATOM 1280 CA SER A 78 94.477 4.642 1.092 1.00 0.00 C ATOM 1281 C SER A 78 94.187 3.400 0.244 1.00 0.00 C ATOM 1282 O SER A 78 94.219 2.285 0.727 1.00 0.00 O ATOM 1283 CB SER A 78 93.185 5.433 1.296 1.00 0.00 C ATOM 1284 OG SER A 78 92.484 5.515 0.061 1.00 0.00 O ATOM 0 H SER A 78 95.115 6.369 0.011 1.00 0.00 H new ATOM 0 HA SER A 78 94.872 4.342 2.062 1.00 0.00 H new ATOM 0 HB2 SER A 78 92.563 4.948 2.049 1.00 0.00 H new ATOM 0 HB3 SER A 78 93.412 6.433 1.666 1.00 0.00 H new ATOM 0 HG SER A 78 91.654 6.020 0.189 1.00 0.00 H new ATOM 1290 N ALA A 79 93.908 3.584 -1.021 1.00 0.00 N ATOM 1291 CA ALA A 79 93.622 2.413 -1.901 1.00 0.00 C ATOM 1292 C ALA A 79 94.820 1.463 -1.883 1.00 0.00 C ATOM 1293 O ALA A 79 94.693 0.290 -1.596 1.00 0.00 O ATOM 1294 CB ALA A 79 93.379 2.900 -3.332 1.00 0.00 C ATOM 0 H ALA A 79 93.866 4.493 -1.481 1.00 0.00 H new ATOM 0 HA ALA A 79 92.736 1.891 -1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.170 2.046 -3.976 1.00 0.00 H new ATOM 0 HB2 ALA A 79 92.528 3.581 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.266 3.420 -3.695 1.00 0.00 H new ATOM 1300 N ILE A 80 95.986 1.965 -2.178 1.00 0.00 N ATOM 1301 CA ILE A 80 97.196 1.102 -2.165 1.00 0.00 C ATOM 1302 C ILE A 80 97.438 0.637 -0.730 1.00 0.00 C ATOM 1303 O ILE A 80 98.041 -0.393 -0.483 1.00 0.00 O ATOM 1304 CB ILE A 80 98.396 1.914 -2.655 1.00 0.00 C ATOM 1305 CG1 ILE A 80 98.174 2.301 -4.132 1.00 0.00 C ATOM 1306 CG2 ILE A 80 99.679 1.090 -2.488 1.00 0.00 C ATOM 1307 CD1 ILE A 80 98.938 1.358 -5.069 1.00 0.00 C ATOM 0 H ILE A 80 96.152 2.940 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 80 97.058 0.239 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 80 98.499 2.825 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 80 97.110 2.266 -4.364 1.00 0.00 H new ATOM 0 HG13 ILE A 80 98.503 3.327 -4.296 1.00 0.00 H new ATOM 0 HG21 ILE A 80 100.533 1.671 -2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 80 99.817 0.840 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 80 99.601 0.173 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.764 1.653 -6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 80 100.004 1.413 -4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.590 0.336 -4.920 1.00 0.00 H new ATOM 1319 N ASN A 81 96.952 1.390 0.218 1.00 0.00 N ATOM 1320 CA ASN A 81 97.127 1.008 1.643 1.00 0.00 C ATOM 1321 C ASN A 81 96.191 -0.155 1.957 1.00 0.00 C ATOM 1322 O ASN A 81 96.426 -0.924 2.862 1.00 0.00 O ATOM 1323 CB ASN A 81 96.786 2.201 2.542 1.00 0.00 C ATOM 1324 CG ASN A 81 96.646 1.725 3.990 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.533 1.924 4.795 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.559 1.103 4.357 1.00 0.00 N ATOM 0 H ASN A 81 96.439 2.258 0.063 1.00 0.00 H new ATOM 0 HA ASN A 81 98.160 0.712 1.823 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.567 2.959 2.471 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.858 2.667 2.210 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.454 0.784 5.320 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.814 0.936 3.681 1.00 0.00 H new ATOM 1333 N ASN A 82 95.132 -0.298 1.207 1.00 0.00 N ATOM 1334 CA ASN A 82 94.199 -1.425 1.464 1.00 0.00 C ATOM 1335 C ASN A 82 94.870 -2.721 1.004 1.00 0.00 C ATOM 1336 O ASN A 82 94.578 -3.794 1.494 1.00 0.00 O ATOM 1337 CB ASN A 82 92.873 -1.190 0.710 1.00 0.00 C ATOM 1338 CG ASN A 82 92.903 -1.843 -0.679 1.00 0.00 C ATOM 1339 OD1 ASN A 82 92.887 -1.162 -1.685 1.00 0.00 O ATOM 1340 ND2 ASN A 82 92.938 -3.145 -0.775 1.00 0.00 N ATOM 0 H ASN A 82 94.876 0.314 0.433 1.00 0.00 H new ATOM 0 HA ASN A 82 93.970 -1.496 2.527 1.00 0.00 H new ATOM 0 HB2 ASN A 82 92.045 -1.598 1.289 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.694 -0.120 0.608 1.00 0.00 H new ATOM 0 HD21 ASN A 82 92.952 -3.588 -1.693 1.00 0.00 H new ATOM 0 HD22 ASN A 82 92.952 -3.718 0.068 1.00 0.00 H new ATOM 1347 N TYR A 83 95.775 -2.626 0.064 1.00 0.00 N ATOM 1348 CA TYR A 83 96.472 -3.849 -0.424 1.00 0.00 C ATOM 1349 C TYR A 83 97.569 -4.239 0.571 1.00 0.00 C ATOM 1350 O TYR A 83 97.510 -5.283 1.192 1.00 0.00 O ATOM 1351 CB TYR A 83 97.089 -3.567 -1.797 1.00 0.00 C ATOM 1352 CG TYR A 83 97.876 -4.768 -2.283 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.807 -5.995 -1.604 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.684 -4.648 -3.419 1.00 0.00 C ATOM 1355 CE1 TYR A 83 98.546 -7.091 -2.062 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.419 -5.744 -3.877 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.352 -6.967 -3.199 1.00 0.00 C ATOM 1358 OH TYR A 83 100.081 -8.048 -3.651 1.00 0.00 O ATOM 0 H TYR A 83 96.060 -1.755 -0.385 1.00 0.00 H new ATOM 0 HA TYR A 83 95.760 -4.669 -0.512 1.00 0.00 H new ATOM 0 HB2 TYR A 83 96.303 -3.326 -2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.743 -2.697 -1.737 1.00 0.00 H new ATOM 0 HD1 TYR A 83 97.183 -6.093 -0.728 1.00 0.00 H new ATOM 0 HD2 TYR A 83 98.740 -3.705 -3.943 1.00 0.00 H new ATOM 0 HE1 TYR A 83 98.494 -8.034 -1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.040 -5.648 -4.755 1.00 0.00 H new ATOM 0 HH TYR A 83 99.611 -8.877 -3.424 1.00 0.00 H new ATOM 1368 N ALA A 84 98.570 -3.417 0.729 1.00 0.00 N ATOM 1369 CA ALA A 84 99.664 -3.755 1.685 1.00 0.00 C ATOM 1370 C ALA A 84 99.080 -3.960 3.084 1.00 0.00 C ATOM 1371 O ALA A 84 99.488 -4.842 3.814 1.00 0.00 O ATOM 1372 CB ALA A 84 100.681 -2.616 1.718 1.00 0.00 C ATOM 0 H ALA A 84 98.678 -2.529 0.240 1.00 0.00 H new ATOM 0 HA ALA A 84 100.156 -4.673 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 84 101.481 -2.862 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 84 101.100 -2.474 0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 84 100.189 -1.698 2.039 1.00 0.00 H new ATOM 1378 N GLN A 85 98.131 -3.154 3.464 1.00 0.00 N ATOM 1379 CA GLN A 85 97.523 -3.303 4.816 1.00 0.00 C ATOM 1380 C GLN A 85 96.695 -4.588 4.869 1.00 0.00 C ATOM 1381 O GLN A 85 96.619 -5.243 5.889 1.00 0.00 O ATOM 1382 CB GLN A 85 96.619 -2.104 5.113 1.00 0.00 C ATOM 1383 CG GLN A 85 96.259 -2.092 6.599 1.00 0.00 C ATOM 1384 CD GLN A 85 97.256 -1.214 7.358 1.00 0.00 C ATOM 1385 OE1 GLN A 85 97.248 -0.007 7.222 1.00 0.00 O ATOM 1386 NE2 GLN A 85 98.122 -1.775 8.158 1.00 0.00 N ATOM 0 H GLN A 85 97.749 -2.397 2.897 1.00 0.00 H new ATOM 0 HA GLN A 85 98.317 -3.350 5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 85 97.126 -1.177 4.843 1.00 0.00 H new ATOM 0 HB3 GLN A 85 95.713 -2.159 4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 85 95.246 -1.713 6.736 1.00 0.00 H new ATOM 0 HG3 GLN A 85 96.276 -3.107 6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 85 98.129 -2.789 8.272 1.00 0.00 H new ATOM 0 HE22 GLN A 85 98.792 -1.200 8.669 1.00 0.00 H new ATOM 1395 N LYS A 86 96.084 -4.965 3.777 1.00 0.00 N ATOM 1396 CA LYS A 86 95.280 -6.217 3.779 1.00 0.00 C ATOM 1397 C LYS A 86 96.198 -7.376 4.157 1.00 0.00 C ATOM 1398 O LYS A 86 95.758 -8.441 4.540 1.00 0.00 O ATOM 1399 CB LYS A 86 94.698 -6.458 2.384 1.00 0.00 C ATOM 1400 CG LYS A 86 93.197 -6.163 2.397 1.00 0.00 C ATOM 1401 CD LYS A 86 92.418 -7.479 2.406 1.00 0.00 C ATOM 1402 CE LYS A 86 92.028 -7.832 3.843 1.00 0.00 C ATOM 1403 NZ LYS A 86 93.172 -8.509 4.515 1.00 0.00 N ATOM 0 H LYS A 86 96.108 -4.462 2.890 1.00 0.00 H new ATOM 0 HA LYS A 86 94.461 -6.136 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 86 95.198 -5.820 1.655 1.00 0.00 H new ATOM 0 HB3 LYS A 86 94.874 -7.490 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 86 92.940 -5.570 3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 86 92.924 -5.573 1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.525 -7.389 1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 86 93.025 -8.276 1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 86 91.754 -6.929 4.389 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.154 -8.483 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 92.904 -9.484 4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 93.991 -8.524 3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 93.420 -7.992 5.383 1.00 0.00 H new ATOM 1417 N LEU A 87 97.481 -7.165 4.048 1.00 0.00 N ATOM 1418 CA LEU A 87 98.450 -8.233 4.391 1.00 0.00 C ATOM 1419 C LEU A 87 98.985 -8.001 5.806 1.00 0.00 C ATOM 1420 O LEU A 87 100.161 -8.151 6.071 1.00 0.00 O ATOM 1421 CB LEU A 87 99.599 -8.194 3.384 1.00 0.00 C ATOM 1422 CG LEU A 87 99.022 -8.262 1.971 1.00 0.00 C ATOM 1423 CD1 LEU A 87 99.777 -7.294 1.061 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.162 -9.683 1.431 1.00 0.00 C ATOM 0 H LEU A 87 97.899 -6.289 3.733 1.00 0.00 H new ATOM 0 HA LEU A 87 97.964 -9.208 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.180 -7.280 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 87 100.278 -9.030 3.554 1.00 0.00 H new ATOM 0 HG LEU A 87 97.968 -7.985 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.364 -7.344 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.675 -6.279 1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 87 100.832 -7.567 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 87 98.750 -9.731 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 87 100.216 -9.961 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 87 98.620 -10.373 2.078 1.00 0.00 H new ATOM 1436 N CYS A 88 98.124 -7.644 6.720 1.00 0.00 N ATOM 1437 CA CYS A 88 98.575 -7.410 8.121 1.00 0.00 C ATOM 1438 C CYS A 88 97.839 -8.373 9.051 1.00 0.00 C ATOM 1439 O CYS A 88 97.859 -8.226 10.257 1.00 0.00 O ATOM 1440 CB CYS A 88 98.260 -5.968 8.525 1.00 0.00 C ATOM 1441 SG CYS A 88 96.466 -5.753 8.641 1.00 0.00 S ATOM 0 H CYS A 88 97.127 -7.504 6.557 1.00 0.00 H new ATOM 0 HA CYS A 88 99.649 -7.578 8.194 1.00 0.00 H new ATOM 0 HB2 CYS A 88 98.728 -5.737 9.482 1.00 0.00 H new ATOM 0 HB3 CYS A 88 98.674 -5.275 7.792 1.00 0.00 H new ATOM 0 HG CYS A 88 95.990 -5.441 7.472 1.00 0.00 H new ATOM 1447 N THR A 89 97.187 -9.361 8.498 1.00 0.00 N ATOM 1448 CA THR A 89 96.445 -10.333 9.347 1.00 0.00 C ATOM 1449 C THR A 89 97.344 -11.532 9.660 1.00 0.00 C ATOM 1450 O THR A 89 96.950 -12.447 10.356 1.00 0.00 O ATOM 1451 CB THR A 89 95.200 -10.813 8.599 1.00 0.00 C ATOM 1452 OG1 THR A 89 94.372 -11.553 9.488 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.615 -11.703 7.427 1.00 0.00 C ATOM 0 H THR A 89 97.137 -9.535 7.494 1.00 0.00 H new ATOM 0 HA THR A 89 96.149 -9.849 10.278 1.00 0.00 H new ATOM 0 HB THR A 89 94.650 -9.952 8.219 1.00 0.00 H new ATOM 0 HG1 THR A 89 94.931 -12.113 10.066 1.00 0.00 H new ATOM 0 HG21 THR A 89 94.726 -12.043 6.896 1.00 0.00 H new ATOM 0 HG22 THR A 89 96.249 -11.136 6.746 1.00 0.00 H new ATOM 0 HG23 THR A 89 96.166 -12.565 7.802 1.00 0.00 H new ATOM 1461 N PHE A 90 98.548 -11.536 9.154 1.00 0.00 N ATOM 1462 CA PHE A 90 99.461 -12.679 9.428 1.00 0.00 C ATOM 1463 C PHE A 90 100.826 -12.150 9.874 1.00 0.00 C ATOM 1464 O PHE A 90 101.823 -12.840 9.800 1.00 0.00 O ATOM 1465 CB PHE A 90 99.621 -13.527 8.162 1.00 0.00 C ATOM 1466 CG PHE A 90 100.300 -12.720 7.079 1.00 0.00 C ATOM 1467 CD1 PHE A 90 99.648 -11.621 6.503 1.00 0.00 C ATOM 1468 CD2 PHE A 90 101.583 -13.077 6.643 1.00 0.00 C ATOM 1469 CE1 PHE A 90 100.279 -10.883 5.492 1.00 0.00 C ATOM 1470 CE2 PHE A 90 102.212 -12.338 5.634 1.00 0.00 C ATOM 1471 CZ PHE A 90 101.559 -11.242 5.059 1.00 0.00 C ATOM 0 H PHE A 90 98.936 -10.799 8.565 1.00 0.00 H new ATOM 0 HA PHE A 90 99.039 -13.297 10.221 1.00 0.00 H new ATOM 0 HB2 PHE A 90 100.207 -14.419 8.384 1.00 0.00 H new ATOM 0 HB3 PHE A 90 98.644 -13.866 7.816 1.00 0.00 H new ATOM 0 HD1 PHE A 90 98.660 -11.343 6.838 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.087 -13.923 7.086 1.00 0.00 H new ATOM 0 HE1 PHE A 90 99.776 -10.037 5.047 1.00 0.00 H new ATOM 0 HE2 PHE A 90 103.201 -12.614 5.299 1.00 0.00 H new ATOM 0 HZ PHE A 90 102.044 -10.673 4.280 1.00 0.00 H new ATOM 1481 N SER A 91 100.874 -10.931 10.341 1.00 0.00 N ATOM 1482 CA SER A 91 102.170 -10.351 10.801 1.00 0.00 C ATOM 1483 C SER A 91 102.053 -8.826 10.845 1.00 0.00 C ATOM 1484 O SER A 91 101.097 -8.255 10.359 1.00 0.00 O ATOM 1485 CB SER A 91 103.288 -10.747 9.834 1.00 0.00 C ATOM 1486 OG SER A 91 104.012 -11.842 10.376 1.00 0.00 O ATOM 0 H SER A 91 100.069 -10.310 10.424 1.00 0.00 H new ATOM 0 HA SER A 91 102.404 -10.732 11.795 1.00 0.00 H new ATOM 0 HB2 SER A 91 102.868 -11.018 8.865 1.00 0.00 H new ATOM 0 HB3 SER A 91 103.956 -9.902 9.667 1.00 0.00 H new ATOM 0 HG SER A 91 103.573 -12.681 10.124 1.00 0.00 H new ATOM 1492 N PHE A 92 103.015 -8.161 11.423 1.00 0.00 N ATOM 1493 CA PHE A 92 102.950 -6.675 11.492 1.00 0.00 C ATOM 1494 C PHE A 92 103.123 -6.098 10.083 1.00 0.00 C ATOM 1495 O PHE A 92 103.546 -6.782 9.172 1.00 0.00 O ATOM 1496 CB PHE A 92 104.050 -6.157 12.438 1.00 0.00 C ATOM 1497 CG PHE A 92 105.329 -5.869 11.679 1.00 0.00 C ATOM 1498 CD1 PHE A 92 105.477 -4.654 10.999 1.00 0.00 C ATOM 1499 CD2 PHE A 92 106.367 -6.809 11.664 1.00 0.00 C ATOM 1500 CE1 PHE A 92 106.658 -4.381 10.304 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.548 -6.533 10.970 1.00 0.00 C ATOM 1502 CZ PHE A 92 107.695 -5.320 10.289 1.00 0.00 C ATOM 0 H PHE A 92 103.841 -8.581 11.849 1.00 0.00 H new ATOM 0 HA PHE A 92 101.983 -6.358 11.883 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.708 -5.251 12.937 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.243 -6.896 13.216 1.00 0.00 H new ATOM 0 HD1 PHE A 92 104.678 -3.928 11.012 1.00 0.00 H new ATOM 0 HD2 PHE A 92 106.255 -7.746 12.188 1.00 0.00 H new ATOM 0 HE1 PHE A 92 106.770 -3.444 9.778 1.00 0.00 H new ATOM 0 HE2 PHE A 92 108.349 -7.258 10.959 1.00 0.00 H new ATOM 0 HZ PHE A 92 108.608 -5.109 9.752 1.00 0.00 H new ATOM 1512 N LEU A 93 102.796 -4.850 9.889 1.00 0.00 N ATOM 1513 CA LEU A 93 102.942 -4.254 8.532 1.00 0.00 C ATOM 1514 C LEU A 93 103.086 -2.734 8.636 1.00 0.00 C ATOM 1515 O LEU A 93 102.280 -2.062 9.247 1.00 0.00 O ATOM 1516 CB LEU A 93 101.706 -4.590 7.695 1.00 0.00 C ATOM 1517 CG LEU A 93 101.841 -3.960 6.307 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.964 -5.062 5.255 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.602 -3.112 6.012 1.00 0.00 C ATOM 0 H LEU A 93 102.436 -4.221 10.607 1.00 0.00 H new ATOM 0 HA LEU A 93 103.833 -4.664 8.057 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.597 -5.671 7.606 1.00 0.00 H new ATOM 0 HB3 LEU A 93 100.808 -4.219 8.189 1.00 0.00 H new ATOM 0 HG LEU A 93 102.730 -3.331 6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 93 102.060 -4.612 4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.845 -5.669 5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.075 -5.692 5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.696 -2.662 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.714 -3.743 6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 93 100.512 -2.326 6.762 1.00 0.00 H new ATOM 1531 N ILE A 94 104.106 -2.190 8.029 1.00 0.00 N ATOM 1532 CA ILE A 94 104.307 -0.713 8.070 1.00 0.00 C ATOM 1533 C ILE A 94 104.256 -0.174 6.638 1.00 0.00 C ATOM 1534 O ILE A 94 105.226 0.340 6.118 1.00 0.00 O ATOM 1535 CB ILE A 94 105.669 -0.396 8.700 1.00 0.00 C ATOM 1536 CG1 ILE A 94 105.591 -0.625 10.212 1.00 0.00 C ATOM 1537 CG2 ILE A 94 106.040 1.065 8.428 1.00 0.00 C ATOM 1538 CD1 ILE A 94 106.898 -1.248 10.705 1.00 0.00 C ATOM 0 H ILE A 94 104.811 -2.707 7.504 1.00 0.00 H new ATOM 0 HA ILE A 94 103.526 -0.245 8.669 1.00 0.00 H new ATOM 0 HB ILE A 94 106.428 -1.047 8.265 1.00 0.00 H new ATOM 0 HG12 ILE A 94 105.411 0.320 10.724 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.752 -1.280 10.448 1.00 0.00 H new ATOM 0 HG21 ILE A 94 107.008 1.284 8.878 1.00 0.00 H new ATOM 0 HG22 ILE A 94 106.093 1.233 7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 94 105.283 1.719 8.860 1.00 0.00 H new ATOM 0 HD11 ILE A 94 106.840 -1.410 11.781 1.00 0.00 H new ATOM 0 HD12 ILE A 94 107.059 -2.202 10.202 1.00 0.00 H new ATOM 0 HD13 ILE A 94 107.728 -0.577 10.483 1.00 0.00 H new ATOM 1550 N CYS A 95 103.130 -0.306 5.992 1.00 0.00 N ATOM 1551 CA CYS A 95 103.010 0.182 4.590 1.00 0.00 C ATOM 1552 C CYS A 95 102.705 1.684 4.590 1.00 0.00 C ATOM 1553 O CYS A 95 101.997 2.184 5.442 1.00 0.00 O ATOM 1554 CB CYS A 95 101.875 -0.571 3.887 1.00 0.00 C ATOM 1555 SG CYS A 95 101.479 0.243 2.316 1.00 0.00 S ATOM 0 H CYS A 95 102.286 -0.732 6.376 1.00 0.00 H new ATOM 0 HA CYS A 95 103.948 0.006 4.063 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.169 -1.605 3.707 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.993 -0.597 4.526 1.00 0.00 H new ATOM 0 HG CYS A 95 100.313 0.812 2.404 1.00 0.00 H new ATOM 1561 N LYS A 96 103.227 2.406 3.635 1.00 0.00 N ATOM 1562 CA LYS A 96 102.960 3.871 3.574 1.00 0.00 C ATOM 1563 C LYS A 96 103.254 4.383 2.162 1.00 0.00 C ATOM 1564 O LYS A 96 103.542 3.619 1.262 1.00 0.00 O ATOM 1565 CB LYS A 96 103.858 4.599 4.575 1.00 0.00 C ATOM 1566 CG LYS A 96 103.064 4.900 5.848 1.00 0.00 C ATOM 1567 CD LYS A 96 103.666 6.117 6.553 1.00 0.00 C ATOM 1568 CE LYS A 96 103.444 5.997 8.061 1.00 0.00 C ATOM 1569 NZ LYS A 96 102.007 5.711 8.330 1.00 0.00 N ATOM 0 H LYS A 96 103.827 2.044 2.894 1.00 0.00 H new ATOM 0 HA LYS A 96 101.915 4.059 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.728 3.986 4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 96 104.231 5.526 4.138 1.00 0.00 H new ATOM 0 HG2 LYS A 96 102.020 5.090 5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 96 103.082 4.036 6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 96 104.732 6.185 6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 96 103.206 7.031 6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 96 104.067 5.201 8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 96 103.741 6.921 8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 101.782 5.959 9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 101.415 6.274 7.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 101.820 4.700 8.177 1.00 0.00 H new ATOM 1583 N GLY A 97 103.186 5.669 1.962 1.00 0.00 N ATOM 1584 CA GLY A 97 103.465 6.230 0.610 1.00 0.00 C ATOM 1585 C GLY A 97 104.843 6.895 0.614 1.00 0.00 C ATOM 1586 O GLY A 97 105.364 7.254 1.652 1.00 0.00 O ATOM 0 H GLY A 97 102.949 6.357 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.432 5.439 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.699 6.956 0.340 1.00 0.00 H new ATOM 1590 N VAL A 98 105.439 7.063 -0.533 1.00 0.00 N ATOM 1591 CA VAL A 98 106.784 7.705 -0.583 1.00 0.00 C ATOM 1592 C VAL A 98 106.797 8.788 -1.661 1.00 0.00 C ATOM 1593 O VAL A 98 106.508 8.535 -2.814 1.00 0.00 O ATOM 1594 CB VAL A 98 107.843 6.651 -0.909 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.190 7.086 -0.329 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.436 5.310 -0.297 1.00 0.00 C ATOM 0 H VAL A 98 105.055 6.785 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 98 107.004 8.155 0.385 1.00 0.00 H new ATOM 0 HB VAL A 98 107.928 6.546 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 98 109.945 6.335 -0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.482 8.041 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.103 7.192 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.191 4.560 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 98 107.350 5.415 0.785 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.476 4.999 -0.709 1.00 0.00 H new ATOM 1606 N ASN A 99 107.137 9.994 -1.298 1.00 0.00 N ATOM 1607 CA ASN A 99 107.174 11.091 -2.304 1.00 0.00 C ATOM 1608 C ASN A 99 108.569 11.152 -2.929 1.00 0.00 C ATOM 1609 O ASN A 99 108.726 11.467 -4.092 1.00 0.00 O ATOM 1610 CB ASN A 99 106.862 12.423 -1.618 1.00 0.00 C ATOM 1611 CG ASN A 99 105.351 12.554 -1.419 1.00 0.00 C ATOM 1612 OD1 ASN A 99 104.584 11.816 -2.004 1.00 0.00 O ATOM 1613 ND2 ASN A 99 104.888 13.469 -0.612 1.00 0.00 N ATOM 0 H ASN A 99 107.391 10.267 -0.348 1.00 0.00 H new ATOM 0 HA ASN A 99 106.433 10.903 -3.080 1.00 0.00 H new ATOM 0 HB2 ASN A 99 107.372 12.477 -0.656 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.233 13.251 -2.222 1.00 0.00 H new ATOM 0 HD21 ASN A 99 103.882 13.564 -0.473 1.00 0.00 H new ATOM 0 HD22 ASN A 99 105.532 14.089 -0.121 1.00 0.00 H new ATOM 1620 N LYS A 100 109.583 10.849 -2.166 1.00 0.00 N ATOM 1621 CA LYS A 100 110.966 10.885 -2.715 1.00 0.00 C ATOM 1622 C LYS A 100 111.538 9.464 -2.742 1.00 0.00 C ATOM 1623 O LYS A 100 112.553 9.181 -2.135 1.00 0.00 O ATOM 1624 CB LYS A 100 111.845 11.774 -1.831 1.00 0.00 C ATOM 1625 CG LYS A 100 111.260 13.187 -1.788 1.00 0.00 C ATOM 1626 CD LYS A 100 111.470 13.783 -0.395 1.00 0.00 C ATOM 1627 CE LYS A 100 111.887 15.250 -0.523 1.00 0.00 C ATOM 1628 NZ LYS A 100 110.867 16.114 0.134 1.00 0.00 N ATOM 0 H LYS A 100 109.512 10.578 -1.185 1.00 0.00 H new ATOM 0 HA LYS A 100 110.946 11.289 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.902 11.361 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.862 11.802 -2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 100 111.740 13.814 -2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 100 110.197 13.160 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 100 110.552 13.705 0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 100 112.236 13.222 0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 100 112.862 15.404 -0.061 1.00 0.00 H new ATOM 0 HE3 LYS A 100 111.986 15.521 -1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 111.149 17.111 0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 109.945 15.974 -0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 110.794 15.861 1.140 1.00 0.00 H new ATOM 1642 N GLU A 101 110.889 8.571 -3.441 1.00 0.00 N ATOM 1643 CA GLU A 101 111.389 7.168 -3.512 1.00 0.00 C ATOM 1644 C GLU A 101 112.906 7.176 -3.704 1.00 0.00 C ATOM 1645 O GLU A 101 113.637 6.564 -2.950 1.00 0.00 O ATOM 1646 CB GLU A 101 110.731 6.455 -4.694 1.00 0.00 C ATOM 1647 CG GLU A 101 111.140 4.980 -4.693 1.00 0.00 C ATOM 1648 CD GLU A 101 110.347 4.231 -3.620 1.00 0.00 C ATOM 1649 OE1 GLU A 101 110.118 4.808 -2.570 1.00 0.00 O ATOM 1650 OE2 GLU A 101 109.982 3.093 -3.868 1.00 0.00 O ATOM 0 H GLU A 101 110.034 8.753 -3.966 1.00 0.00 H new ATOM 0 HA GLU A 101 111.143 6.646 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 101 109.647 6.543 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.032 6.926 -5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 101 110.953 4.539 -5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 101 112.209 4.888 -4.501 1.00 0.00 H new ATOM 1657 N TYR A 102 113.384 7.863 -4.707 1.00 0.00 N ATOM 1658 CA TYR A 102 114.855 7.911 -4.948 1.00 0.00 C ATOM 1659 C TYR A 102 115.582 8.078 -3.612 1.00 0.00 C ATOM 1660 O TYR A 102 116.377 7.249 -3.220 1.00 0.00 O ATOM 1661 CB TYR A 102 115.189 9.096 -5.858 1.00 0.00 C ATOM 1662 CG TYR A 102 116.686 9.181 -6.047 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.471 9.856 -5.105 1.00 0.00 C ATOM 1664 CD2 TYR A 102 117.288 8.586 -7.163 1.00 0.00 C ATOM 1665 CE1 TYR A 102 118.858 9.936 -5.279 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.675 8.667 -7.337 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.461 9.342 -6.394 1.00 0.00 C ATOM 1668 OH TYR A 102 120.828 9.421 -6.566 1.00 0.00 O ATOM 0 H TYR A 102 112.819 8.393 -5.370 1.00 0.00 H new ATOM 0 HA TYR A 102 115.174 6.985 -5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.696 8.977 -6.823 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.814 10.021 -5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.007 10.315 -4.244 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.682 8.065 -7.889 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.464 10.457 -4.552 1.00 0.00 H new ATOM 0 HE2 TYR A 102 119.139 8.209 -8.198 1.00 0.00 H new ATOM 0 HH TYR A 102 121.081 8.955 -7.390 1.00 0.00 H new ATOM 1678 N LEU A 103 115.311 9.143 -2.908 1.00 0.00 N ATOM 1679 CA LEU A 103 115.978 9.370 -1.596 1.00 0.00 C ATOM 1680 C LEU A 103 115.910 8.103 -0.741 1.00 0.00 C ATOM 1681 O LEU A 103 116.910 7.458 -0.490 1.00 0.00 O ATOM 1682 CB LEU A 103 115.272 10.503 -0.864 1.00 0.00 C ATOM 1683 CG LEU A 103 116.276 11.619 -0.588 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.267 11.157 0.479 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.035 11.957 -1.870 1.00 0.00 C ATOM 0 H LEU A 103 114.652 9.870 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 103 117.023 9.628 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.445 10.881 -1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 103 114.847 10.139 0.071 1.00 0.00 H new ATOM 0 HG LEU A 103 115.745 12.504 -0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 103 117.985 11.953 0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 103 116.729 10.917 1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.795 10.271 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 103 117.751 12.754 -1.670 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.566 11.073 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.330 12.286 -2.634 1.00 0.00 H new ATOM 1697 N MET A 104 114.738 7.756 -0.282 1.00 0.00 N ATOM 1698 CA MET A 104 114.587 6.543 0.574 1.00 0.00 C ATOM 1699 C MET A 104 115.492 5.417 0.062 1.00 0.00 C ATOM 1700 O MET A 104 115.968 4.601 0.825 1.00 0.00 O ATOM 1701 CB MET A 104 113.126 6.085 0.545 1.00 0.00 C ATOM 1702 CG MET A 104 112.873 5.097 1.687 1.00 0.00 C ATOM 1703 SD MET A 104 111.794 5.862 2.922 1.00 0.00 S ATOM 1704 CE MET A 104 110.978 4.344 3.473 1.00 0.00 C ATOM 0 H MET A 104 113.872 8.264 -0.464 1.00 0.00 H new ATOM 0 HA MET A 104 114.876 6.787 1.596 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.463 6.945 0.641 1.00 0.00 H new ATOM 0 HB3 MET A 104 112.901 5.615 -0.412 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.413 4.188 1.300 1.00 0.00 H new ATOM 0 HG3 MET A 104 113.818 4.805 2.145 1.00 0.00 H new ATOM 0 HE1 MET A 104 110.505 4.515 4.440 1.00 0.00 H new ATOM 0 HE2 MET A 104 110.220 4.053 2.745 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.716 3.547 3.566 1.00 0.00 H new ATOM 1714 N TYR A 105 115.738 5.364 -1.216 1.00 0.00 N ATOM 1715 CA TYR A 105 116.613 4.284 -1.757 1.00 0.00 C ATOM 1716 C TYR A 105 118.076 4.587 -1.424 1.00 0.00 C ATOM 1717 O TYR A 105 118.781 3.754 -0.893 1.00 0.00 O ATOM 1718 CB TYR A 105 116.437 4.196 -3.273 1.00 0.00 C ATOM 1719 CG TYR A 105 117.469 3.256 -3.848 1.00 0.00 C ATOM 1720 CD1 TYR A 105 118.724 3.745 -4.231 1.00 0.00 C ATOM 1721 CD2 TYR A 105 117.173 1.894 -3.999 1.00 0.00 C ATOM 1722 CE1 TYR A 105 119.682 2.875 -4.763 1.00 0.00 C ATOM 1723 CE2 TYR A 105 118.131 1.027 -4.531 1.00 0.00 C ATOM 1724 CZ TYR A 105 119.385 1.516 -4.913 1.00 0.00 C ATOM 1725 OH TYR A 105 120.331 0.658 -5.438 1.00 0.00 O ATOM 0 H TYR A 105 115.374 6.018 -1.909 1.00 0.00 H new ATOM 0 HA TYR A 105 116.333 3.333 -1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 105 115.434 3.842 -3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 105 116.542 5.185 -3.720 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.953 4.794 -4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 105 116.205 1.515 -3.704 1.00 0.00 H new ATOM 0 HE1 TYR A 105 120.650 3.252 -5.058 1.00 0.00 H new ATOM 0 HE2 TYR A 105 117.903 -0.022 -4.648 1.00 0.00 H new ATOM 0 HH TYR A 105 119.965 -0.250 -5.473 1.00 0.00 H new ATOM 1735 N SER A 106 118.538 5.770 -1.720 1.00 0.00 N ATOM 1736 CA SER A 106 119.954 6.110 -1.404 1.00 0.00 C ATOM 1737 C SER A 106 120.211 5.821 0.074 1.00 0.00 C ATOM 1738 O SER A 106 121.159 5.151 0.434 1.00 0.00 O ATOM 1739 CB SER A 106 120.199 7.593 -1.687 1.00 0.00 C ATOM 1740 OG SER A 106 121.500 7.756 -2.237 1.00 0.00 O ATOM 0 H SER A 106 117.999 6.513 -2.165 1.00 0.00 H new ATOM 0 HA SER A 106 120.626 5.513 -2.020 1.00 0.00 H new ATOM 0 HB2 SER A 106 119.448 7.972 -2.380 1.00 0.00 H new ATOM 0 HB3 SER A 106 120.105 8.171 -0.768 1.00 0.00 H new ATOM 0 HG SER A 106 121.661 8.705 -2.422 1.00 0.00 H new ATOM 1746 N ALA A 107 119.363 6.316 0.934 1.00 0.00 N ATOM 1747 CA ALA A 107 119.544 6.066 2.389 1.00 0.00 C ATOM 1748 C ALA A 107 119.404 4.565 2.660 1.00 0.00 C ATOM 1749 O ALA A 107 119.945 4.043 3.614 1.00 0.00 O ATOM 1750 CB ALA A 107 118.474 6.832 3.174 1.00 0.00 C ATOM 0 H ALA A 107 118.552 6.884 0.689 1.00 0.00 H new ATOM 0 HA ALA A 107 120.532 6.404 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.605 6.650 4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.570 7.899 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.485 6.493 2.867 1.00 0.00 H new ATOM 1756 N LEU A 108 118.681 3.870 1.823 1.00 0.00 N ATOM 1757 CA LEU A 108 118.504 2.404 2.025 1.00 0.00 C ATOM 1758 C LEU A 108 119.757 1.665 1.551 1.00 0.00 C ATOM 1759 O LEU A 108 120.008 0.539 1.934 1.00 0.00 O ATOM 1760 CB LEU A 108 117.299 1.920 1.213 1.00 0.00 C ATOM 1761 CG LEU A 108 116.025 2.059 2.045 1.00 0.00 C ATOM 1762 CD1 LEU A 108 114.839 1.500 1.258 1.00 0.00 C ATOM 1763 CD2 LEU A 108 116.182 1.279 3.353 1.00 0.00 C ATOM 0 H LEU A 108 118.205 4.255 1.007 1.00 0.00 H new ATOM 0 HA LEU A 108 118.340 2.204 3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 108 117.210 2.501 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.441 0.880 0.919 1.00 0.00 H new ATOM 0 HG LEU A 108 115.850 3.111 2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 108 113.930 1.599 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.727 2.055 0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 108 115.014 0.448 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.273 1.378 3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 108 116.357 0.226 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 108 117.027 1.677 3.914 1.00 0.00 H new ATOM 1775 N THR A 109 120.544 2.285 0.713 1.00 0.00 N ATOM 1776 CA THR A 109 121.775 1.612 0.210 1.00 0.00 C ATOM 1777 C THR A 109 122.928 1.860 1.182 1.00 0.00 C ATOM 1778 O THR A 109 123.854 1.078 1.272 1.00 0.00 O ATOM 1779 CB THR A 109 122.139 2.175 -1.165 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.332 3.579 -1.064 1.00 0.00 O ATOM 1781 CG2 THR A 109 121.009 1.883 -2.154 1.00 0.00 C ATOM 0 H THR A 109 120.387 3.227 0.356 1.00 0.00 H new ATOM 0 HA THR A 109 121.593 0.540 0.129 1.00 0.00 H new ATOM 0 HB THR A 109 123.057 1.706 -1.518 1.00 0.00 H new ATOM 0 HG1 THR A 109 122.075 3.881 -0.168 1.00 0.00 H new ATOM 0 HG21 THR A 109 121.270 2.285 -3.133 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.862 0.806 -2.231 1.00 0.00 H new ATOM 0 HG23 THR A 109 120.089 2.350 -1.803 1.00 0.00 H new ATOM 1789 N ARG A 110 122.883 2.940 1.910 1.00 0.00 N ATOM 1790 CA ARG A 110 123.979 3.229 2.875 1.00 0.00 C ATOM 1791 C ARG A 110 123.688 2.518 4.196 1.00 0.00 C ATOM 1792 O ARG A 110 122.601 2.604 4.733 1.00 0.00 O ATOM 1793 CB ARG A 110 124.071 4.738 3.111 1.00 0.00 C ATOM 1794 CG ARG A 110 122.740 5.252 3.662 1.00 0.00 C ATOM 1795 CD ARG A 110 122.967 5.883 5.037 1.00 0.00 C ATOM 1796 NE ARG A 110 123.222 7.342 4.880 1.00 0.00 N ATOM 1797 CZ ARG A 110 122.932 8.164 5.851 1.00 0.00 C ATOM 1798 NH1 ARG A 110 123.623 8.136 6.957 1.00 0.00 N ATOM 1799 NH2 ARG A 110 121.951 9.014 5.716 1.00 0.00 N ATOM 0 H ARG A 110 122.136 3.634 1.879 1.00 0.00 H new ATOM 0 HA ARG A 110 124.926 2.872 2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 110 124.876 4.958 3.812 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.312 5.248 2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 110 122.311 5.986 2.980 1.00 0.00 H new ATOM 0 HG3 ARG A 110 122.025 4.433 3.740 1.00 0.00 H new ATOM 0 HD2 ARG A 110 122.095 5.722 5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 110 123.813 5.407 5.532 1.00 0.00 H new ATOM 0 HE ARG A 110 123.624 7.699 4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 110 124.390 7.472 7.063 1.00 0.00 H new ATOM 0 HH12 ARG A 110 123.397 8.778 7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 110 121.411 9.036 4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 110 121.725 9.656 6.475 1.00 0.00 H new ATOM 1813 N ASP A 111 124.651 1.813 4.723 1.00 0.00 N ATOM 1814 CA ASP A 111 124.432 1.094 6.008 1.00 0.00 C ATOM 1815 C ASP A 111 123.677 2.007 6.979 1.00 0.00 C ATOM 1816 O ASP A 111 123.669 3.211 6.816 1.00 0.00 O ATOM 1817 CB ASP A 111 125.785 0.713 6.612 1.00 0.00 C ATOM 1818 CG ASP A 111 126.795 1.830 6.346 1.00 0.00 C ATOM 1819 OD1 ASP A 111 127.385 1.827 5.277 1.00 0.00 O ATOM 1820 OD2 ASP A 111 126.962 2.671 7.214 1.00 0.00 O ATOM 0 H ASP A 111 125.581 1.704 4.318 1.00 0.00 H new ATOM 0 HA ASP A 111 123.847 0.192 5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 111 125.683 0.548 7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 111 126.139 -0.222 6.178 1.00 0.00 H new ATOM 1825 N PRO A 112 123.064 1.403 7.964 1.00 0.00 N ATOM 1826 CA PRO A 112 123.081 -0.060 8.151 1.00 0.00 C ATOM 1827 C PRO A 112 122.061 -0.744 7.230 1.00 0.00 C ATOM 1828 O PRO A 112 121.715 -1.892 7.427 1.00 0.00 O ATOM 1829 CB PRO A 112 122.679 -0.233 9.618 1.00 0.00 C ATOM 1830 CG PRO A 112 121.912 1.050 10.016 1.00 0.00 C ATOM 1831 CD PRO A 112 122.301 2.135 8.993 1.00 0.00 C ATOM 0 HA PRO A 112 124.047 -0.506 7.913 1.00 0.00 H new ATOM 0 HB2 PRO A 112 122.053 -1.116 9.747 1.00 0.00 H new ATOM 0 HB3 PRO A 112 123.558 -0.371 10.248 1.00 0.00 H new ATOM 0 HG2 PRO A 112 120.836 0.876 10.005 1.00 0.00 H new ATOM 0 HG3 PRO A 112 122.175 1.360 11.027 1.00 0.00 H new ATOM 0 HD2 PRO A 112 121.420 2.617 8.569 1.00 0.00 H new ATOM 0 HD3 PRO A 112 122.903 2.919 9.453 1.00 0.00 H new ATOM 1839 N PHE A 113 121.576 -0.058 6.229 1.00 0.00 N ATOM 1840 CA PHE A 113 120.583 -0.692 5.315 1.00 0.00 C ATOM 1841 C PHE A 113 121.314 -1.565 4.293 1.00 0.00 C ATOM 1842 O PHE A 113 121.905 -1.074 3.351 1.00 0.00 O ATOM 1843 CB PHE A 113 119.789 0.394 4.586 1.00 0.00 C ATOM 1844 CG PHE A 113 118.907 1.125 5.571 1.00 0.00 C ATOM 1845 CD1 PHE A 113 117.811 0.474 6.154 1.00 0.00 C ATOM 1846 CD2 PHE A 113 119.185 2.458 5.900 1.00 0.00 C ATOM 1847 CE1 PHE A 113 116.996 1.156 7.063 1.00 0.00 C ATOM 1848 CE2 PHE A 113 118.370 3.137 6.810 1.00 0.00 C ATOM 1849 CZ PHE A 113 117.275 2.488 7.393 1.00 0.00 C ATOM 0 H PHE A 113 121.822 0.906 6.006 1.00 0.00 H new ATOM 0 HA PHE A 113 119.899 -1.310 5.897 1.00 0.00 H new ATOM 0 HB2 PHE A 113 120.470 1.095 4.103 1.00 0.00 H new ATOM 0 HB3 PHE A 113 119.181 -0.052 3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 113 117.596 -0.554 5.901 1.00 0.00 H new ATOM 0 HD2 PHE A 113 120.029 2.961 5.451 1.00 0.00 H new ATOM 0 HE1 PHE A 113 116.151 0.655 7.511 1.00 0.00 H new ATOM 0 HE2 PHE A 113 118.585 4.164 7.064 1.00 0.00 H new ATOM 0 HZ PHE A 113 116.646 3.014 8.096 1.00 0.00 H new ATOM 1859 N SER A 114 121.281 -2.858 4.472 1.00 0.00 N ATOM 1860 CA SER A 114 121.977 -3.762 3.511 1.00 0.00 C ATOM 1861 C SER A 114 121.017 -4.158 2.390 1.00 0.00 C ATOM 1862 O SER A 114 120.082 -4.906 2.592 1.00 0.00 O ATOM 1863 CB SER A 114 122.451 -5.017 4.245 1.00 0.00 C ATOM 1864 OG SER A 114 122.907 -4.658 5.543 1.00 0.00 O ATOM 0 H SER A 114 120.803 -3.327 5.241 1.00 0.00 H new ATOM 0 HA SER A 114 122.835 -3.244 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.637 -5.738 4.319 1.00 0.00 H new ATOM 0 HB3 SER A 114 123.253 -5.498 3.685 1.00 0.00 H new ATOM 0 HG SER A 114 123.210 -5.461 6.017 1.00 0.00 H new ATOM 1870 N VAL A 115 121.245 -3.660 1.206 1.00 0.00 N ATOM 1871 CA VAL A 115 120.351 -4.003 0.065 1.00 0.00 C ATOM 1872 C VAL A 115 120.411 -5.509 -0.199 1.00 0.00 C ATOM 1873 O VAL A 115 121.453 -6.125 -0.100 1.00 0.00 O ATOM 1874 CB VAL A 115 120.817 -3.251 -1.182 1.00 0.00 C ATOM 1875 CG1 VAL A 115 119.833 -3.501 -2.323 1.00 0.00 C ATOM 1876 CG2 VAL A 115 120.877 -1.752 -0.882 1.00 0.00 C ATOM 0 H VAL A 115 122.014 -3.029 0.979 1.00 0.00 H new ATOM 0 HA VAL A 115 119.327 -3.719 0.306 1.00 0.00 H new ATOM 0 HB VAL A 115 121.807 -3.604 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.164 -2.965 -3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 115 119.788 -4.569 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 115 118.843 -3.148 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 115 121.209 -1.216 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 115 119.887 -1.399 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 115 121.578 -1.572 -0.067 1.00 0.00 H new ATOM 1886 N ILE A 116 119.300 -6.109 -0.537 1.00 0.00 N ATOM 1887 CA ILE A 116 119.300 -7.574 -0.809 1.00 0.00 C ATOM 1888 C ILE A 116 119.159 -7.812 -2.314 1.00 0.00 C ATOM 1889 O ILE A 116 120.095 -8.211 -2.978 1.00 0.00 O ATOM 1890 CB ILE A 116 118.126 -8.230 -0.082 1.00 0.00 C ATOM 1891 CG1 ILE A 116 118.322 -8.093 1.428 1.00 0.00 C ATOM 1892 CG2 ILE A 116 118.059 -9.712 -0.452 1.00 0.00 C ATOM 1893 CD1 ILE A 116 117.240 -8.891 2.154 1.00 0.00 C ATOM 0 H ILE A 116 118.395 -5.648 -0.636 1.00 0.00 H new ATOM 0 HA ILE A 116 120.235 -8.007 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 116 117.198 -7.739 -0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 116 119.310 -8.456 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 116 118.272 -7.044 1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 116 117.222 -10.179 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.920 -9.812 -1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 116 118.987 -10.203 -0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 116 117.378 -8.795 3.231 1.00 0.00 H new ATOM 0 HD12 ILE A 116 116.258 -8.507 1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 116 117.311 -9.941 1.872 1.00 0.00 H new ATOM 1905 N GLU A 117 117.997 -7.572 -2.855 1.00 0.00 N ATOM 1906 CA GLU A 117 117.798 -7.786 -4.316 1.00 0.00 C ATOM 1907 C GLU A 117 116.835 -6.727 -4.854 1.00 0.00 C ATOM 1908 O GLU A 117 116.357 -5.885 -4.122 1.00 0.00 O ATOM 1909 CB GLU A 117 117.212 -9.179 -4.554 1.00 0.00 C ATOM 1910 CG GLU A 117 115.960 -9.361 -3.692 1.00 0.00 C ATOM 1911 CD GLU A 117 116.035 -10.701 -2.957 1.00 0.00 C ATOM 1912 OE1 GLU A 117 116.699 -11.592 -3.457 1.00 0.00 O ATOM 1913 OE2 GLU A 117 115.423 -10.812 -1.907 1.00 0.00 O ATOM 0 H GLU A 117 117.177 -7.237 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 117 118.755 -7.705 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 117 116.962 -9.305 -5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 117 117.950 -9.942 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 117 115.878 -8.545 -2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 117 115.068 -9.327 -4.317 1.00 0.00 H new ATOM 1920 N GLU A 118 116.546 -6.760 -6.126 1.00 0.00 N ATOM 1921 CA GLU A 118 115.614 -5.749 -6.700 1.00 0.00 C ATOM 1922 C GLU A 118 115.452 -5.995 -8.203 1.00 0.00 C ATOM 1923 O GLU A 118 116.196 -6.746 -8.803 1.00 0.00 O ATOM 1924 CB GLU A 118 116.178 -4.345 -6.459 1.00 0.00 C ATOM 1925 CG GLU A 118 117.307 -4.057 -7.452 1.00 0.00 C ATOM 1926 CD GLU A 118 118.413 -3.265 -6.752 1.00 0.00 C ATOM 1927 OE1 GLU A 118 118.392 -3.205 -5.534 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.265 -2.733 -7.446 1.00 0.00 O ATOM 0 H GLU A 118 116.914 -7.441 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 118 114.640 -5.834 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 118 115.387 -3.603 -6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.551 -4.264 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 118 117.707 -4.992 -7.845 1.00 0.00 H new ATOM 0 HG3 GLU A 118 116.923 -3.493 -8.302 1.00 0.00 H new ATOM 1935 N SER A 119 114.484 -5.370 -8.816 1.00 0.00 N ATOM 1936 CA SER A 119 114.277 -5.571 -10.279 1.00 0.00 C ATOM 1937 C SER A 119 115.209 -4.644 -11.062 1.00 0.00 C ATOM 1938 O SER A 119 115.606 -4.942 -12.171 1.00 0.00 O ATOM 1939 CB SER A 119 112.824 -5.252 -10.635 1.00 0.00 C ATOM 1940 OG SER A 119 112.567 -5.666 -11.971 1.00 0.00 O ATOM 0 H SER A 119 113.828 -4.730 -8.368 1.00 0.00 H new ATOM 0 HA SER A 119 114.497 -6.607 -10.537 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.149 -5.761 -9.948 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.638 -4.183 -10.531 1.00 0.00 H new ATOM 0 HG SER A 119 111.636 -5.465 -12.203 1.00 0.00 H new ATOM 1946 N LEU A 120 115.560 -3.522 -10.496 1.00 0.00 N ATOM 1947 CA LEU A 120 116.466 -2.580 -11.211 1.00 0.00 C ATOM 1948 C LEU A 120 117.924 -2.970 -10.941 1.00 0.00 C ATOM 1949 O LEU A 120 118.206 -3.698 -10.010 1.00 0.00 O ATOM 1950 CB LEU A 120 116.212 -1.154 -10.717 1.00 0.00 C ATOM 1951 CG LEU A 120 115.207 -0.470 -11.644 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.261 0.401 -10.820 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.953 0.402 -12.655 1.00 0.00 C ATOM 0 H LEU A 120 115.259 -3.217 -9.570 1.00 0.00 H new ATOM 0 HA LEU A 120 116.272 -2.629 -12.283 1.00 0.00 H new ATOM 0 HB2 LEU A 120 115.829 -1.173 -9.697 1.00 0.00 H new ATOM 0 HB3 LEU A 120 117.146 -0.592 -10.696 1.00 0.00 H new ATOM 0 HG LEU A 120 114.632 -1.229 -12.175 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.545 0.888 -11.482 1.00 0.00 H new ATOM 0 HD12 LEU A 120 113.726 -0.221 -10.102 1.00 0.00 H new ATOM 0 HD13 LEU A 120 114.835 1.158 -10.287 1.00 0.00 H new ATOM 0 HD21 LEU A 120 115.235 0.889 -13.315 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.531 1.159 -12.126 1.00 0.00 H new ATOM 0 HD23 LEU A 120 116.625 -0.220 -13.246 1.00 0.00 H new ATOM 1965 N PRO A 121 118.806 -2.476 -11.773 1.00 0.00 N ATOM 1966 CA PRO A 121 120.249 -2.760 -11.664 1.00 0.00 C ATOM 1967 C PRO A 121 120.891 -1.920 -10.558 1.00 0.00 C ATOM 1968 O PRO A 121 121.856 -2.326 -9.940 1.00 0.00 O ATOM 1969 CB PRO A 121 120.796 -2.360 -13.038 1.00 0.00 C ATOM 1970 CG PRO A 121 119.778 -1.363 -13.641 1.00 0.00 C ATOM 1971 CD PRO A 121 118.446 -1.591 -12.901 1.00 0.00 C ATOM 0 HA PRO A 121 120.458 -3.798 -11.407 1.00 0.00 H new ATOM 0 HB2 PRO A 121 121.780 -1.901 -12.945 1.00 0.00 H new ATOM 0 HB3 PRO A 121 120.911 -3.234 -13.680 1.00 0.00 H new ATOM 0 HG2 PRO A 121 120.120 -0.336 -13.515 1.00 0.00 H new ATOM 0 HG3 PRO A 121 119.660 -1.530 -14.712 1.00 0.00 H new ATOM 0 HD2 PRO A 121 118.019 -0.651 -12.550 1.00 0.00 H new ATOM 0 HD3 PRO A 121 117.704 -2.055 -13.550 1.00 0.00 H new ATOM 1979 N GLY A 122 120.370 -0.753 -10.302 1.00 0.00 N ATOM 1980 CA GLY A 122 120.962 0.104 -9.234 1.00 0.00 C ATOM 1981 C GLY A 122 119.928 1.121 -8.753 1.00 0.00 C ATOM 1982 O GLY A 122 120.183 2.308 -8.712 1.00 0.00 O ATOM 0 H GLY A 122 119.563 -0.355 -10.783 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.292 -0.515 -8.400 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.843 0.620 -9.616 1.00 0.00 H new ATOM 1986 N GLY A 123 118.762 0.668 -8.386 1.00 0.00 N ATOM 1987 CA GLY A 123 117.715 1.613 -7.903 1.00 0.00 C ATOM 1988 C GLY A 123 117.091 2.338 -9.096 1.00 0.00 C ATOM 1989 O GLY A 123 116.744 1.732 -10.090 1.00 0.00 O ATOM 0 H GLY A 123 118.488 -0.314 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 123 116.947 1.070 -7.352 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.152 2.335 -7.213 1.00 0.00 H new ATOM 1993 N LEU A 124 116.935 3.630 -9.002 1.00 0.00 N ATOM 1994 CA LEU A 124 116.321 4.387 -10.131 1.00 0.00 C ATOM 1995 C LEU A 124 117.068 5.705 -10.348 1.00 0.00 C ATOM 1996 O LEU A 124 118.249 5.817 -10.083 1.00 0.00 O ATOM 1997 CB LEU A 124 114.863 4.689 -9.800 1.00 0.00 C ATOM 1998 CG LEU A 124 114.271 3.519 -9.023 1.00 0.00 C ATOM 1999 CD1 LEU A 124 114.434 3.767 -7.522 1.00 0.00 C ATOM 2000 CD2 LEU A 124 112.789 3.390 -9.363 1.00 0.00 C ATOM 0 H LEU A 124 117.205 4.193 -8.196 1.00 0.00 H new ATOM 0 HA LEU A 124 116.382 3.786 -11.038 1.00 0.00 H new ATOM 0 HB2 LEU A 124 114.794 5.604 -9.211 1.00 0.00 H new ATOM 0 HB3 LEU A 124 114.297 4.856 -10.716 1.00 0.00 H new ATOM 0 HG LEU A 124 114.789 2.599 -9.293 1.00 0.00 H new ATOM 0 HD11 LEU A 124 114.010 2.930 -6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 124 115.493 3.863 -7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 124 113.915 4.685 -7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 124 112.360 2.554 -8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 124 112.272 4.310 -9.090 1.00 0.00 H new ATOM 0 HD23 LEU A 124 112.675 3.214 -10.433 1.00 0.00 H new