USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 844 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 16 GLN : amide:sc= 1.35 K(o=1.6,f=-4.8!) USER MOD Set 1.2: A 91 ASN : amide:sc= 0.29 K(o=1.6,f=-1.4) USER MOD Set 2.1: A 35 CYS SG : rot 95:sc= 0.922 USER MOD Set 2.2: A 36 SER OG : rot 101:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.16 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -33:sc= 0.0952 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -107:sc= -0.112 (180deg=-1.51!) USER MOD Single : A 8 SER OG : rot -49:sc= 0.0203 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -28:sc= -0.218 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 34 MET CE :methyl 157:sc= -2.27 (180deg=-4.08!) USER MOD Single : A 37 THR OG1 : rot 92:sc= 0.602 USER MOD Single : A 38 TYR OH : rot 128:sc= 0.512 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -140:sc= -1.02 USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= 0.0841 (180deg=-0.941) USER MOD Single : A 71 LYS NZ :NH3+ -144:sc= 1.17 (180deg=-0.274) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.123 K(o=-0.12,f=-3.7) USER MOD Single : A 79 ASN : amide:sc= -0.0127 K(o=-0.013,f=-0.94) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 82 MET CE :methyl 176:sc= -0.544 (180deg=-0.582) USER MOD Single : A 83 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.021) USER MOD Single : A 86 THR OG1 : rot 82:sc= 0.861 USER MOD Single : A 88 ASN : amide:sc= 0.88 K(o=0.88,f=-0.68) USER MOD Single : A 89 GLN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 35:sc= 0.0278 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.956 -2.868 7.870 1.00 52.51 N ATOM 2 CA GLY A 1 -24.175 -3.968 7.303 1.00 44.34 C ATOM 3 C GLY A 1 -23.047 -3.423 6.447 1.00 1.02 C ATOM 4 O GLY A 1 -22.931 -2.208 6.263 1.00 63.10 O ATOM 0 H1 GLY A 1 -24.828 -2.847 8.902 1.00 52.51 H new ATOM 0 H2 GLY A 1 -24.633 -1.967 7.463 1.00 52.51 H new ATOM 0 H3 GLY A 1 -25.963 -3.007 7.649 1.00 52.51 H new ATOM 0 HA2 GLY A 1 -23.768 -4.585 8.104 1.00 44.34 H new ATOM 0 HA3 GLY A 1 -24.820 -4.610 6.702 1.00 44.34 H new ATOM 8 N MET A 2 -22.211 -4.318 5.910 1.00 14.54 N ATOM 9 CA MET A 2 -21.103 -3.929 5.050 1.00 64.43 C ATOM 10 C MET A 2 -21.624 -3.126 3.858 1.00 74.05 C ATOM 11 O MET A 2 -22.507 -3.577 3.124 1.00 61.51 O ATOM 12 CB MET A 2 -20.292 -5.155 4.611 1.00 74.51 C ATOM 13 CG MET A 2 -19.110 -4.747 3.723 1.00 43.43 C ATOM 14 SD MET A 2 -19.399 -4.799 1.931 1.00 54.23 S ATOM 15 CE MET A 2 -18.473 -6.304 1.526 1.00 53.33 C ATOM 0 H MET A 2 -22.287 -5.324 6.061 1.00 14.54 H new ATOM 0 HA MET A 2 -20.424 -3.288 5.613 1.00 64.43 H new ATOM 0 HB2 MET A 2 -19.925 -5.685 5.490 1.00 74.51 H new ATOM 0 HB3 MET A 2 -20.937 -5.846 4.068 1.00 74.51 H new ATOM 0 HG2 MET A 2 -18.812 -3.734 3.993 1.00 43.43 H new ATOM 0 HG3 MET A 2 -18.267 -5.399 3.953 1.00 43.43 H new ATOM 0 HE1 MET A 2 -18.540 -6.495 0.455 1.00 53.33 H new ATOM 0 HE2 MET A 2 -17.428 -6.175 1.807 1.00 53.33 H new ATOM 0 HE3 MET A 2 -18.894 -7.148 2.072 1.00 53.33 H new ATOM 25 N GLY A 3 -21.081 -1.928 3.672 1.00 62.30 N ATOM 26 CA GLY A 3 -21.477 -0.985 2.643 1.00 12.02 C ATOM 27 C GLY A 3 -21.053 0.426 3.027 1.00 14.54 C ATOM 28 O GLY A 3 -20.576 1.167 2.171 1.00 1.50 O ATOM 0 H GLY A 3 -20.324 -1.578 4.259 1.00 62.30 H new ATOM 0 HA2 GLY A 3 -21.023 -1.262 1.692 1.00 12.02 H new ATOM 0 HA3 GLY A 3 -22.557 -1.022 2.503 1.00 12.02 H new ATOM 32 N THR A 4 -21.135 0.768 4.317 1.00 11.14 N ATOM 33 CA THR A 4 -20.755 2.055 4.910 1.00 12.31 C ATOM 34 C THR A 4 -19.246 2.373 4.771 1.00 52.33 C ATOM 35 O THR A 4 -18.789 3.432 5.209 1.00 25.44 O ATOM 36 CB THR A 4 -21.273 2.050 6.370 1.00 4.21 C ATOM 37 OG1 THR A 4 -21.194 3.297 7.025 1.00 33.34 O ATOM 38 CG2 THR A 4 -20.565 1.038 7.277 1.00 41.35 C ATOM 0 H THR A 4 -21.489 0.116 5.016 1.00 11.14 H new ATOM 0 HA THR A 4 -21.219 2.877 4.364 1.00 12.31 H new ATOM 0 HB THR A 4 -22.318 1.772 6.231 1.00 4.21 H new ATOM 0 HG1 THR A 4 -20.405 3.784 6.708 1.00 33.34 H new ATOM 0 HG21 THR A 4 -20.983 1.095 8.282 1.00 41.35 H new ATOM 0 HG22 THR A 4 -20.708 0.032 6.881 1.00 41.35 H new ATOM 0 HG23 THR A 4 -19.500 1.266 7.314 1.00 41.35 H new ATOM 46 N THR A 5 -18.460 1.477 4.164 1.00 51.14 N ATOM 47 CA THR A 5 -17.019 1.587 4.001 1.00 43.01 C ATOM 48 C THR A 5 -16.382 1.725 5.394 1.00 71.14 C ATOM 49 O THR A 5 -15.850 2.769 5.773 1.00 21.25 O ATOM 50 CB THR A 5 -16.702 2.690 2.983 1.00 14.03 C ATOM 51 OG1 THR A 5 -17.490 2.569 1.810 1.00 60.24 O ATOM 52 CG2 THR A 5 -15.246 2.671 2.539 1.00 1.44 C ATOM 0 H THR A 5 -18.835 0.620 3.757 1.00 51.14 H new ATOM 0 HA THR A 5 -16.568 0.694 3.569 1.00 43.01 H new ATOM 0 HB THR A 5 -16.924 3.622 3.502 1.00 14.03 H new ATOM 0 HG1 THR A 5 -17.261 3.290 1.186 1.00 60.24 H new ATOM 0 HG21 THR A 5 -15.075 3.471 1.819 1.00 1.44 H new ATOM 0 HG22 THR A 5 -14.600 2.817 3.405 1.00 1.44 H new ATOM 0 HG23 THR A 5 -15.020 1.711 2.075 1.00 1.44 H new ATOM 60 N GLU A 6 -16.546 0.672 6.195 1.00 54.43 N ATOM 61 CA GLU A 6 -16.121 0.582 7.587 1.00 5.23 C ATOM 62 C GLU A 6 -14.600 0.447 7.705 1.00 33.24 C ATOM 63 O GLU A 6 -13.991 -0.419 7.078 1.00 62.34 O ATOM 64 CB GLU A 6 -16.867 -0.559 8.301 1.00 72.13 C ATOM 65 CG GLU A 6 -16.645 -1.963 7.709 1.00 40.21 C ATOM 66 CD GLU A 6 -17.714 -2.955 8.150 1.00 30.52 C ATOM 67 OE1 GLU A 6 -18.918 -2.683 7.912 1.00 21.31 O ATOM 68 OE2 GLU A 6 -17.378 -4.032 8.689 1.00 51.34 O ATOM 0 H GLU A 6 -17.001 -0.182 5.872 1.00 54.43 H new ATOM 0 HA GLU A 6 -16.384 1.513 8.089 1.00 5.23 H new ATOM 0 HB2 GLU A 6 -16.562 -0.572 9.347 1.00 72.13 H new ATOM 0 HB3 GLU A 6 -17.935 -0.340 8.283 1.00 72.13 H new ATOM 0 HG2 GLU A 6 -16.640 -1.899 6.621 1.00 40.21 H new ATOM 0 HG3 GLU A 6 -15.665 -2.331 8.012 1.00 40.21 H new ATOM 75 N LYS A 7 -13.972 1.306 8.503 1.00 64.11 N ATOM 76 CA LYS A 7 -12.522 1.423 8.657 1.00 14.41 C ATOM 77 C LYS A 7 -12.182 1.897 10.077 1.00 62.12 C ATOM 78 O LYS A 7 -13.074 1.941 10.928 1.00 53.43 O ATOM 79 CB LYS A 7 -11.987 2.338 7.549 1.00 31.14 C ATOM 80 CG LYS A 7 -12.740 3.666 7.402 1.00 63.41 C ATOM 81 CD LYS A 7 -12.065 4.493 6.308 1.00 33.34 C ATOM 82 CE LYS A 7 -13.007 5.613 5.861 1.00 42.52 C ATOM 83 NZ LYS A 7 -12.291 6.891 5.709 1.00 40.43 N ATOM 0 H LYS A 7 -14.481 1.970 9.087 1.00 64.11 H new ATOM 0 HA LYS A 7 -12.030 0.457 8.543 1.00 14.41 H new ATOM 0 HB2 LYS A 7 -10.936 2.551 7.746 1.00 31.14 H new ATOM 0 HB3 LYS A 7 -12.031 1.803 6.600 1.00 31.14 H new ATOM 0 HG2 LYS A 7 -13.784 3.482 7.147 1.00 63.41 H new ATOM 0 HG3 LYS A 7 -12.733 4.211 8.346 1.00 63.41 H new ATOM 0 HD2 LYS A 7 -11.132 4.915 6.680 1.00 33.34 H new ATOM 0 HD3 LYS A 7 -11.811 3.856 5.460 1.00 33.34 H new ATOM 0 HE2 LYS A 7 -13.474 5.341 4.914 1.00 42.52 H new ATOM 0 HE3 LYS A 7 -13.809 5.728 6.590 1.00 42.52 H new ATOM 0 HZ1 LYS A 7 -12.546 7.527 6.491 1.00 40.43 H new ATOM 0 HZ2 LYS A 7 -11.266 6.718 5.723 1.00 40.43 H new ATOM 0 HZ3 LYS A 7 -12.555 7.332 4.805 1.00 40.43 H new ATOM 97 N SER A 8 -10.912 2.212 10.346 1.00 12.14 N ATOM 98 CA SER A 8 -10.417 2.596 11.669 1.00 65.14 C ATOM 99 C SER A 8 -9.562 3.879 11.591 1.00 64.22 C ATOM 100 O SER A 8 -8.671 4.090 12.416 1.00 44.03 O ATOM 101 CB SER A 8 -9.706 1.382 12.297 1.00 1.43 C ATOM 102 OG SER A 8 -9.546 1.504 13.700 1.00 74.44 O ATOM 0 H SER A 8 -10.183 2.207 9.633 1.00 12.14 H new ATOM 0 HA SER A 8 -11.239 2.862 12.333 1.00 65.14 H new ATOM 0 HB2 SER A 8 -10.277 0.479 12.078 1.00 1.43 H new ATOM 0 HB3 SER A 8 -8.727 1.260 11.834 1.00 1.43 H new ATOM 0 HG SER A 8 -9.161 2.380 13.910 1.00 74.44 H new ATOM 108 N GLY A 9 -9.805 4.750 10.600 1.00 74.54 N ATOM 109 CA GLY A 9 -9.116 6.033 10.471 1.00 55.43 C ATOM 110 C GLY A 9 -7.618 5.881 10.216 1.00 11.14 C ATOM 111 O GLY A 9 -6.845 6.780 10.554 1.00 50.31 O ATOM 0 H GLY A 9 -10.490 4.579 9.864 1.00 74.54 H new ATOM 0 HA2 GLY A 9 -9.563 6.599 9.654 1.00 55.43 H new ATOM 0 HA3 GLY A 9 -9.267 6.614 11.381 1.00 55.43 H new ATOM 115 N ILE A 10 -7.192 4.748 9.659 1.00 0.40 N ATOM 116 CA ILE A 10 -5.801 4.386 9.444 1.00 51.22 C ATOM 117 C ILE A 10 -5.223 5.289 8.348 1.00 43.42 C ATOM 118 O ILE A 10 -5.925 5.764 7.451 1.00 72.44 O ATOM 119 CB ILE A 10 -5.716 2.868 9.145 1.00 60.42 C ATOM 120 CG1 ILE A 10 -6.452 2.035 10.222 1.00 21.41 C ATOM 121 CG2 ILE A 10 -4.269 2.387 9.071 1.00 52.13 C ATOM 122 CD1 ILE A 10 -6.538 0.534 9.928 1.00 3.31 C ATOM 0 H ILE A 10 -7.839 4.030 9.333 1.00 0.40 H new ATOM 0 HA ILE A 10 -5.188 4.551 10.330 1.00 51.22 H new ATOM 0 HB ILE A 10 -6.197 2.722 8.178 1.00 60.42 H new ATOM 0 HG12 ILE A 10 -5.946 2.175 11.177 1.00 21.41 H new ATOM 0 HG13 ILE A 10 -7.463 2.427 10.336 1.00 21.41 H new ATOM 0 HG21 ILE A 10 -4.251 1.318 8.860 1.00 52.13 H new ATOM 0 HG22 ILE A 10 -3.748 2.922 8.277 1.00 52.13 H new ATOM 0 HG23 ILE A 10 -3.773 2.577 10.023 1.00 52.13 H new ATOM 0 HD11 ILE A 10 -7.070 0.035 10.738 1.00 3.31 H new ATOM 0 HD12 ILE A 10 -7.072 0.377 8.991 1.00 3.31 H new ATOM 0 HD13 ILE A 10 -5.533 0.121 9.846 1.00 3.31 H new ATOM 134 N LYS A 11 -3.921 5.567 8.444 1.00 73.55 N ATOM 135 CA LYS A 11 -3.143 6.349 7.494 1.00 51.23 C ATOM 136 C LYS A 11 -1.929 5.585 6.968 1.00 20.54 C ATOM 137 O LYS A 11 -0.935 6.197 6.583 1.00 53.04 O ATOM 138 CB LYS A 11 -2.730 7.676 8.130 1.00 34.14 C ATOM 139 CG LYS A 11 -3.951 8.500 8.538 1.00 10.15 C ATOM 140 CD LYS A 11 -4.131 8.599 10.048 1.00 52.13 C ATOM 141 CE LYS A 11 -5.333 9.500 10.336 1.00 73.21 C ATOM 142 NZ LYS A 11 -5.177 10.183 11.628 1.00 55.34 N ATOM 0 H LYS A 11 -3.358 5.234 9.226 1.00 73.55 H new ATOM 0 HA LYS A 11 -3.776 6.551 6.630 1.00 51.23 H new ATOM 0 HB2 LYS A 11 -2.109 7.485 9.005 1.00 34.14 H new ATOM 0 HB3 LYS A 11 -2.123 8.246 7.426 1.00 34.14 H new ATOM 0 HG2 LYS A 11 -3.859 9.504 8.123 1.00 10.15 H new ATOM 0 HG3 LYS A 11 -4.845 8.055 8.100 1.00 10.15 H new ATOM 0 HD2 LYS A 11 -4.289 7.609 10.476 1.00 52.13 H new ATOM 0 HD3 LYS A 11 -3.232 9.007 10.511 1.00 52.13 H new ATOM 0 HE2 LYS A 11 -5.439 10.237 9.540 1.00 73.21 H new ATOM 0 HE3 LYS A 11 -6.246 8.905 10.342 1.00 73.21 H new ATOM 0 HZ1 LYS A 11 -6.004 10.789 11.803 1.00 55.34 H new ATOM 0 HZ2 LYS A 11 -5.099 9.476 12.387 1.00 55.34 H new ATOM 0 HZ3 LYS A 11 -4.317 10.768 11.610 1.00 55.34 H new ATOM 156 N GLU A 12 -1.974 4.263 6.941 1.00 60.43 N ATOM 157 CA GLU A 12 -0.884 3.445 6.429 1.00 63.22 C ATOM 158 C GLU A 12 -1.427 2.085 6.051 1.00 15.42 C ATOM 159 O GLU A 12 -2.329 1.572 6.697 1.00 23.42 O ATOM 160 CB GLU A 12 0.176 3.347 7.551 1.00 61.13 C ATOM 161 CG GLU A 12 1.205 2.203 7.487 1.00 70.15 C ATOM 162 CD GLU A 12 2.145 2.223 8.698 1.00 73.35 C ATOM 163 OE1 GLU A 12 2.465 3.314 9.233 1.00 42.32 O ATOM 164 OE2 GLU A 12 2.646 1.171 9.137 1.00 31.34 O ATOM 0 H GLU A 12 -2.772 3.723 7.275 1.00 60.43 H new ATOM 0 HA GLU A 12 -0.429 3.877 5.538 1.00 63.22 H new ATOM 0 HB2 GLU A 12 0.726 4.288 7.571 1.00 61.13 H new ATOM 0 HB3 GLU A 12 -0.352 3.266 8.501 1.00 61.13 H new ATOM 0 HG2 GLU A 12 0.684 1.246 7.445 1.00 70.15 H new ATOM 0 HG3 GLU A 12 1.789 2.289 6.571 1.00 70.15 H new ATOM 171 N ILE A 13 -0.843 1.519 5.010 1.00 72.42 N ATOM 172 CA ILE A 13 -1.044 0.168 4.532 1.00 41.23 C ATOM 173 C ILE A 13 0.330 -0.435 4.267 1.00 15.12 C ATOM 174 O ILE A 13 1.358 0.251 4.310 1.00 53.43 O ATOM 175 CB ILE A 13 -1.875 0.165 3.239 1.00 63.44 C ATOM 176 CG1 ILE A 13 -1.117 0.867 2.096 1.00 1.42 C ATOM 177 CG2 ILE A 13 -3.296 0.706 3.428 1.00 25.00 C ATOM 178 CD1 ILE A 13 -0.879 2.358 2.224 1.00 10.21 C ATOM 0 H ILE A 13 -0.169 2.029 4.439 1.00 72.42 H new ATOM 0 HA ILE A 13 -1.587 -0.414 5.276 1.00 41.23 H new ATOM 0 HB ILE A 13 -2.010 -0.878 2.952 1.00 63.44 H new ATOM 0 HG12 ILE A 13 -0.148 0.380 1.987 1.00 1.42 H new ATOM 0 HG13 ILE A 13 -1.667 0.693 1.171 1.00 1.42 H new ATOM 0 HG21 ILE A 13 -3.827 0.675 2.476 1.00 25.00 H new ATOM 0 HG22 ILE A 13 -3.825 0.093 4.158 1.00 25.00 H new ATOM 0 HG23 ILE A 13 -3.249 1.735 3.784 1.00 25.00 H new ATOM 0 HD11 ILE A 13 -0.336 2.716 1.349 1.00 10.21 H new ATOM 0 HD12 ILE A 13 -1.836 2.875 2.293 1.00 10.21 H new ATOM 0 HD13 ILE A 13 -0.293 2.557 3.121 1.00 10.21 H new ATOM 190 N ILE A 14 0.348 -1.717 3.929 1.00 41.42 N ATOM 191 CA ILE A 14 1.569 -2.448 3.671 1.00 41.25 C ATOM 192 C ILE A 14 1.307 -3.473 2.564 1.00 3.23 C ATOM 193 O ILE A 14 0.644 -4.482 2.772 1.00 24.45 O ATOM 194 CB ILE A 14 2.127 -3.083 4.979 1.00 15.32 C ATOM 195 CG1 ILE A 14 2.197 -2.089 6.172 1.00 1.24 C ATOM 196 CG2 ILE A 14 3.514 -3.668 4.661 1.00 50.50 C ATOM 197 CD1 ILE A 14 2.703 -2.658 7.501 1.00 10.41 C ATOM 0 H ILE A 14 -0.497 -2.280 3.827 1.00 41.42 H new ATOM 0 HA ILE A 14 2.348 -1.770 3.321 1.00 41.25 H new ATOM 0 HB ILE A 14 1.439 -3.863 5.305 1.00 15.32 H new ATOM 0 HG12 ILE A 14 2.843 -1.258 5.888 1.00 1.24 H new ATOM 0 HG13 ILE A 14 1.201 -1.677 6.333 1.00 1.24 H new ATOM 0 HG21 ILE A 14 3.932 -4.121 5.560 1.00 50.50 H new ATOM 0 HG22 ILE A 14 3.420 -4.425 3.883 1.00 50.50 H new ATOM 0 HG23 ILE A 14 4.174 -2.872 4.315 1.00 50.50 H new ATOM 0 HD11 ILE A 14 2.707 -1.871 8.256 1.00 10.41 H new ATOM 0 HD12 ILE A 14 2.048 -3.467 7.824 1.00 10.41 H new ATOM 0 HD13 ILE A 14 3.715 -3.041 7.371 1.00 10.41 H new ATOM 209 N ILE A 15 1.857 -3.235 1.378 1.00 5.23 N ATOM 210 CA ILE A 15 1.880 -4.197 0.284 1.00 52.44 C ATOM 211 C ILE A 15 2.793 -5.351 0.733 1.00 11.04 C ATOM 212 O ILE A 15 3.981 -5.123 0.985 1.00 64.34 O ATOM 213 CB ILE A 15 2.394 -3.481 -0.993 1.00 31.45 C ATOM 214 CG1 ILE A 15 1.692 -2.134 -1.304 1.00 44.30 C ATOM 215 CG2 ILE A 15 2.321 -4.378 -2.240 1.00 22.52 C ATOM 216 CD1 ILE A 15 0.156 -2.184 -1.312 1.00 14.34 C ATOM 0 H ILE A 15 2.308 -2.350 1.147 1.00 5.23 H new ATOM 0 HA ILE A 15 0.895 -4.600 0.046 1.00 52.44 H new ATOM 0 HB ILE A 15 3.435 -3.261 -0.757 1.00 31.45 H new ATOM 0 HG12 ILE A 15 2.012 -1.397 -0.567 1.00 44.30 H new ATOM 0 HG13 ILE A 15 2.033 -1.781 -2.277 1.00 44.30 H new ATOM 0 HG21 ILE A 15 2.692 -3.829 -3.105 1.00 22.52 H new ATOM 0 HG22 ILE A 15 2.932 -5.267 -2.085 1.00 22.52 H new ATOM 0 HG23 ILE A 15 1.287 -4.675 -2.415 1.00 22.52 H new ATOM 0 HD11 ILE A 15 -0.239 -1.194 -1.539 1.00 14.34 H new ATOM 0 HD12 ILE A 15 -0.181 -2.892 -2.069 1.00 14.34 H new ATOM 0 HD13 ILE A 15 -0.203 -2.502 -0.333 1.00 14.34 H new ATOM 228 N GLN A 16 2.288 -6.577 0.901 1.00 43.34 N ATOM 229 CA GLN A 16 3.157 -7.718 1.174 1.00 2.51 C ATOM 230 C GLN A 16 3.932 -8.072 -0.105 1.00 53.31 C ATOM 231 O GLN A 16 3.543 -7.720 -1.216 1.00 1.45 O ATOM 232 CB GLN A 16 2.358 -8.919 1.727 1.00 4.43 C ATOM 233 CG GLN A 16 3.071 -9.601 2.895 1.00 44.10 C ATOM 234 CD GLN A 16 2.308 -10.789 3.482 1.00 63.41 C ATOM 235 OE1 GLN A 16 1.479 -11.413 2.830 1.00 55.44 O ATOM 236 NE2 GLN A 16 2.643 -11.140 4.709 1.00 14.21 N ATOM 0 H GLN A 16 1.294 -6.800 0.853 1.00 43.34 H new ATOM 0 HA GLN A 16 3.872 -7.452 1.952 1.00 2.51 H new ATOM 0 HB2 GLN A 16 1.375 -8.580 2.053 1.00 4.43 H new ATOM 0 HB3 GLN A 16 2.197 -9.644 0.929 1.00 4.43 H new ATOM 0 HG2 GLN A 16 4.051 -9.941 2.560 1.00 44.10 H new ATOM 0 HG3 GLN A 16 3.241 -8.867 3.682 1.00 44.10 H new ATOM 0 HE21 GLN A 16 3.337 -10.598 5.223 1.00 14.21 H new ATOM 0 HE22 GLN A 16 2.208 -11.954 5.143 1.00 14.21 H new ATOM 245 N GLY A 17 5.043 -8.799 0.035 1.00 4.43 N ATOM 246 CA GLY A 17 5.765 -9.383 -1.099 1.00 35.23 C ATOM 247 C GLY A 17 5.369 -10.839 -1.330 1.00 30.24 C ATOM 248 O GLY A 17 6.031 -11.545 -2.088 1.00 15.21 O ATOM 0 H GLY A 17 5.469 -9.000 0.940 1.00 4.43 H new ATOM 0 HA2 GLY A 17 5.560 -8.803 -1.999 1.00 35.23 H new ATOM 0 HA3 GLY A 17 6.838 -9.322 -0.918 1.00 35.23 H new ATOM 252 N LEU A 18 4.335 -11.309 -0.632 1.00 4.20 N ATOM 253 CA LEU A 18 3.715 -12.606 -0.813 1.00 63.24 C ATOM 254 C LEU A 18 2.534 -12.417 -1.751 1.00 11.54 C ATOM 255 O LEU A 18 1.893 -11.367 -1.739 1.00 74.34 O ATOM 256 CB LEU A 18 3.238 -13.128 0.553 1.00 55.13 C ATOM 257 CG LEU A 18 3.975 -14.384 1.034 1.00 14.12 C ATOM 258 CD1 LEU A 18 5.478 -14.141 1.207 1.00 11.30 C ATOM 259 CD2 LEU A 18 3.365 -14.793 2.377 1.00 70.22 C ATOM 0 H LEU A 18 3.892 -10.764 0.108 1.00 4.20 H new ATOM 0 HA LEU A 18 4.415 -13.328 -1.233 1.00 63.24 H new ATOM 0 HB2 LEU A 18 3.363 -12.340 1.295 1.00 55.13 H new ATOM 0 HB3 LEU A 18 2.171 -13.345 0.495 1.00 55.13 H new ATOM 0 HG LEU A 18 3.862 -15.169 0.286 1.00 14.12 H new ATOM 0 HD11 LEU A 18 5.958 -15.058 1.549 1.00 11.30 H new ATOM 0 HD12 LEU A 18 5.910 -13.839 0.253 1.00 11.30 H new ATOM 0 HD13 LEU A 18 5.637 -13.353 1.943 1.00 11.30 H new ATOM 0 HD21 LEU A 18 3.868 -15.686 2.748 1.00 70.22 H new ATOM 0 HD22 LEU A 18 3.489 -13.982 3.095 1.00 70.22 H new ATOM 0 HD23 LEU A 18 2.303 -15.003 2.246 1.00 70.22 H new ATOM 271 N THR A 19 2.234 -13.442 -2.537 1.00 62.12 N ATOM 272 CA THR A 19 1.001 -13.540 -3.305 1.00 44.25 C ATOM 273 C THR A 19 -0.176 -13.796 -2.349 1.00 72.24 C ATOM 274 O THR A 19 0.056 -14.267 -1.234 1.00 25.32 O ATOM 275 CB THR A 19 1.118 -14.716 -4.291 1.00 55.14 C ATOM 276 OG1 THR A 19 1.178 -15.913 -3.538 1.00 13.25 O ATOM 277 CG2 THR A 19 2.369 -14.678 -5.175 1.00 73.44 C ATOM 0 H THR A 19 2.853 -14.243 -2.661 1.00 62.12 H new ATOM 0 HA THR A 19 0.832 -12.612 -3.852 1.00 44.25 H new ATOM 0 HB THR A 19 0.252 -14.653 -4.950 1.00 55.14 H new ATOM 0 HG1 THR A 19 1.572 -15.728 -2.660 1.00 13.25 H new ATOM 0 HG21 THR A 19 2.372 -15.542 -5.839 1.00 73.44 H new ATOM 0 HG22 THR A 19 2.367 -13.764 -5.769 1.00 73.44 H new ATOM 0 HG23 THR A 19 3.259 -14.700 -4.547 1.00 73.44 H new ATOM 285 N ARG A 20 -1.420 -13.742 -2.844 1.00 43.00 N ATOM 286 CA ARG A 20 -2.594 -14.295 -2.139 1.00 2.45 C ATOM 287 C ARG A 20 -2.386 -15.728 -1.616 1.00 61.44 C ATOM 288 O ARG A 20 -2.877 -16.117 -0.558 1.00 74.01 O ATOM 289 CB ARG A 20 -3.829 -14.216 -3.044 1.00 62.45 C ATOM 290 CG ARG A 20 -3.923 -15.325 -4.104 1.00 44.02 C ATOM 291 CD ARG A 20 -4.799 -14.862 -5.265 1.00 62.42 C ATOM 292 NE ARG A 20 -4.688 -15.773 -6.426 1.00 51.21 N ATOM 293 CZ ARG A 20 -3.621 -15.956 -7.215 1.00 52.15 C ATOM 294 NH1 ARG A 20 -2.525 -15.223 -7.042 1.00 72.33 N ATOM 295 NH2 ARG A 20 -3.647 -16.885 -8.157 1.00 25.25 N ATOM 0 H ARG A 20 -1.645 -13.315 -3.743 1.00 43.00 H new ATOM 0 HA ARG A 20 -2.746 -13.680 -1.252 1.00 2.45 H new ATOM 0 HB2 ARG A 20 -4.722 -14.252 -2.420 1.00 62.45 H new ATOM 0 HB3 ARG A 20 -3.831 -13.250 -3.548 1.00 62.45 H new ATOM 0 HG2 ARG A 20 -2.927 -15.578 -4.467 1.00 44.02 H new ATOM 0 HG3 ARG A 20 -4.340 -16.229 -3.661 1.00 44.02 H new ATOM 0 HD2 ARG A 20 -5.838 -14.810 -4.940 1.00 62.42 H new ATOM 0 HD3 ARG A 20 -4.508 -13.855 -5.563 1.00 62.42 H new ATOM 0 HE ARG A 20 -5.517 -16.323 -6.651 1.00 51.21 H new ATOM 0 HH11 ARG A 20 -2.494 -14.518 -6.306 1.00 72.33 H new ATOM 0 HH12 ARG A 20 -1.715 -15.366 -7.645 1.00 72.33 H new ATOM 0 HH21 ARG A 20 -4.479 -17.461 -8.282 1.00 25.25 H new ATOM 0 HH22 ARG A 20 -2.835 -17.025 -8.758 1.00 25.25 H new ATOM 309 N ALA A 21 -1.642 -16.523 -2.390 1.00 13.11 N ATOM 310 CA ALA A 21 -1.379 -17.938 -2.187 1.00 53.12 C ATOM 311 C ALA A 21 -0.078 -18.172 -1.408 1.00 63.25 C ATOM 312 O ALA A 21 0.467 -19.271 -1.432 1.00 2.05 O ATOM 313 CB ALA A 21 -1.360 -18.627 -3.557 1.00 71.12 C ATOM 0 H ALA A 21 -1.181 -16.166 -3.227 1.00 13.11 H new ATOM 0 HA ALA A 21 -2.170 -18.371 -1.575 1.00 53.12 H new ATOM 0 HB1 ALA A 21 -1.164 -19.691 -3.426 1.00 71.12 H new ATOM 0 HB2 ALA A 21 -2.325 -18.493 -4.045 1.00 71.12 H new ATOM 0 HB3 ALA A 21 -0.577 -18.187 -4.175 1.00 71.12 H new ATOM 319 N GLY A 22 0.470 -17.142 -0.763 1.00 74.31 N ATOM 320 CA GLY A 22 1.490 -17.287 0.255 1.00 63.24 C ATOM 321 C GLY A 22 2.889 -17.605 -0.263 1.00 31.35 C ATOM 322 O GLY A 22 3.783 -17.817 0.557 1.00 42.05 O ATOM 0 H GLY A 22 0.208 -16.172 -0.942 1.00 74.31 H new ATOM 0 HA2 GLY A 22 1.536 -16.364 0.834 1.00 63.24 H new ATOM 0 HA3 GLY A 22 1.186 -18.078 0.940 1.00 63.24 H new ATOM 326 N LYS A 23 3.146 -17.624 -1.579 1.00 64.14 N ATOM 327 CA LYS A 23 4.475 -17.703 -2.083 1.00 44.33 C ATOM 328 C LYS A 23 5.073 -16.303 -2.135 1.00 71.40 C ATOM 329 O LYS A 23 4.324 -15.349 -2.347 1.00 60.34 O ATOM 330 CB LYS A 23 4.500 -18.351 -3.436 1.00 12.40 C ATOM 331 CG LYS A 23 3.598 -17.857 -4.509 1.00 45.10 C ATOM 332 CD LYS A 23 2.336 -18.720 -4.557 1.00 44.41 C ATOM 333 CE LYS A 23 2.512 -19.932 -5.479 1.00 34.32 C ATOM 334 NZ LYS A 23 1.376 -20.881 -5.408 1.00 41.33 N ATOM 0 H LYS A 23 2.425 -17.584 -2.299 1.00 64.14 H new ATOM 0 HA LYS A 23 5.075 -18.324 -1.417 1.00 44.33 H new ATOM 0 HB2 LYS A 23 5.521 -18.280 -3.811 1.00 12.40 H new ATOM 0 HB3 LYS A 23 4.286 -19.410 -3.293 1.00 12.40 H new ATOM 0 HG2 LYS A 23 3.332 -16.816 -4.324 1.00 45.10 H new ATOM 0 HG3 LYS A 23 4.109 -17.889 -5.471 1.00 45.10 H new ATOM 0 HD2 LYS A 23 2.090 -19.061 -3.551 1.00 44.41 H new ATOM 0 HD3 LYS A 23 1.496 -18.118 -4.904 1.00 44.41 H new ATOM 0 HE2 LYS A 23 2.627 -19.587 -6.507 1.00 34.32 H new ATOM 0 HE3 LYS A 23 3.432 -20.454 -5.213 1.00 34.32 H new ATOM 0 HZ1 LYS A 23 1.550 -21.679 -6.051 1.00 41.33 H new ATOM 0 HZ2 LYS A 23 1.280 -21.235 -4.435 1.00 41.33 H new ATOM 0 HZ3 LYS A 23 0.500 -20.395 -5.688 1.00 41.33 H new ATOM 348 N PRO A 24 6.399 -16.160 -2.068 1.00 74.13 N ATOM 349 CA PRO A 24 7.060 -14.894 -2.280 1.00 52.13 C ATOM 350 C PRO A 24 7.014 -14.568 -3.768 1.00 22.43 C ATOM 351 O PRO A 24 6.941 -15.464 -4.617 1.00 11.33 O ATOM 352 CB PRO A 24 8.483 -15.110 -1.778 1.00 45.04 C ATOM 353 CG PRO A 24 8.749 -16.589 -2.065 1.00 4.33 C ATOM 354 CD PRO A 24 7.366 -17.234 -2.011 1.00 54.25 C ATOM 0 HA PRO A 24 6.596 -14.056 -1.759 1.00 52.13 H new ATOM 0 HB2 PRO A 24 9.193 -14.467 -2.298 1.00 45.04 H new ATOM 0 HB3 PRO A 24 8.571 -14.886 -0.715 1.00 45.04 H new ATOM 0 HG2 PRO A 24 9.216 -16.728 -3.040 1.00 4.33 H new ATOM 0 HG3 PRO A 24 9.421 -17.024 -1.325 1.00 4.33 H new ATOM 0 HD2 PRO A 24 7.228 -17.922 -2.845 1.00 54.25 H new ATOM 0 HD3 PRO A 24 7.246 -17.814 -1.096 1.00 54.25 H new ATOM 362 N PHE A 25 7.045 -13.285 -4.096 1.00 62.31 N ATOM 363 CA PHE A 25 7.113 -12.802 -5.460 1.00 54.34 C ATOM 364 C PHE A 25 8.572 -12.759 -5.923 1.00 14.50 C ATOM 365 O PHE A 25 9.492 -12.661 -5.095 1.00 25.54 O ATOM 366 CB PHE A 25 6.424 -11.437 -5.459 1.00 20.40 C ATOM 367 CG PHE A 25 6.337 -10.722 -6.788 1.00 32.32 C ATOM 368 CD1 PHE A 25 5.587 -11.266 -7.849 1.00 14.04 C ATOM 369 CD2 PHE A 25 6.961 -9.471 -6.938 1.00 31.44 C ATOM 370 CE1 PHE A 25 5.497 -10.571 -9.067 1.00 22.42 C ATOM 371 CE2 PHE A 25 6.862 -8.775 -8.150 1.00 52.34 C ATOM 372 CZ PHE A 25 6.151 -9.337 -9.221 1.00 43.41 C ATOM 0 H PHE A 25 7.023 -12.537 -3.403 1.00 62.31 H new ATOM 0 HA PHE A 25 6.607 -13.455 -6.171 1.00 54.34 H new ATOM 0 HB2 PHE A 25 5.412 -11.566 -5.075 1.00 20.40 H new ATOM 0 HB3 PHE A 25 6.951 -10.790 -4.758 1.00 20.40 H new ATOM 0 HD1 PHE A 25 5.083 -12.213 -7.727 1.00 14.04 H new ATOM 0 HD2 PHE A 25 7.518 -9.045 -6.117 1.00 31.44 H new ATOM 0 HE1 PHE A 25 4.925 -10.985 -9.884 1.00 22.42 H new ATOM 0 HE2 PHE A 25 7.332 -7.809 -8.259 1.00 52.34 H new ATOM 0 HZ PHE A 25 6.106 -8.819 -10.168 1.00 43.41 H new ATOM 382 N ARG A 26 8.780 -12.805 -7.241 1.00 52.21 N ATOM 383 CA ARG A 26 10.014 -12.382 -7.885 1.00 53.34 C ATOM 384 C ARG A 26 9.650 -11.256 -8.864 1.00 32.22 C ATOM 385 O ARG A 26 8.586 -11.317 -9.483 1.00 71.12 O ATOM 386 CB ARG A 26 10.683 -13.521 -8.674 1.00 44.14 C ATOM 387 CG ARG A 26 11.317 -14.654 -7.853 1.00 64.13 C ATOM 388 CD ARG A 26 12.650 -14.193 -7.252 1.00 4.30 C ATOM 389 NE ARG A 26 13.414 -15.301 -6.646 1.00 54.55 N ATOM 390 CZ ARG A 26 14.504 -15.869 -7.183 1.00 40.23 C ATOM 391 NH1 ARG A 26 14.829 -15.674 -8.456 1.00 75.41 N ATOM 392 NH2 ARG A 26 15.276 -16.649 -6.438 1.00 32.02 N ATOM 0 H ARG A 26 8.078 -13.145 -7.898 1.00 52.21 H new ATOM 0 HA ARG A 26 10.719 -12.059 -7.119 1.00 53.34 H new ATOM 0 HB2 ARG A 26 9.937 -13.959 -9.337 1.00 44.14 H new ATOM 0 HB3 ARG A 26 11.457 -13.087 -9.307 1.00 44.14 H new ATOM 0 HG2 ARG A 26 10.638 -14.960 -7.057 1.00 64.13 H new ATOM 0 HG3 ARG A 26 11.478 -15.526 -8.487 1.00 64.13 H new ATOM 0 HD2 ARG A 26 13.252 -13.725 -8.030 1.00 4.30 H new ATOM 0 HD3 ARG A 26 12.459 -13.432 -6.495 1.00 4.30 H new ATOM 0 HE ARG A 26 13.088 -15.663 -5.750 1.00 54.55 H new ATOM 0 HH11 ARG A 26 14.245 -15.082 -9.047 1.00 75.41 H new ATOM 0 HH12 ARG A 26 15.663 -16.116 -8.843 1.00 75.41 H new ATOM 0 HH21 ARG A 26 15.040 -16.815 -5.460 1.00 32.02 H new ATOM 0 HH22 ARG A 26 16.106 -17.082 -6.843 1.00 32.02 H new ATOM 406 N PRO A 27 10.548 -10.297 -9.110 1.00 2.30 N ATOM 407 CA PRO A 27 11.832 -10.204 -8.451 1.00 73.32 C ATOM 408 C PRO A 27 11.645 -9.723 -7.011 1.00 35.41 C ATOM 409 O PRO A 27 10.712 -8.981 -6.715 1.00 63.03 O ATOM 410 CB PRO A 27 12.631 -9.191 -9.274 1.00 35.03 C ATOM 411 CG PRO A 27 11.559 -8.297 -9.887 1.00 53.51 C ATOM 412 CD PRO A 27 10.389 -9.247 -10.095 1.00 34.21 C ATOM 0 HA PRO A 27 12.346 -11.164 -8.396 1.00 73.32 H new ATOM 0 HB2 PRO A 27 13.319 -8.621 -8.649 1.00 35.03 H new ATOM 0 HB3 PRO A 27 13.230 -9.682 -10.041 1.00 35.03 H new ATOM 0 HG2 PRO A 27 11.295 -7.473 -9.224 1.00 53.51 H new ATOM 0 HG3 PRO A 27 11.892 -7.856 -10.827 1.00 53.51 H new ATOM 0 HD2 PRO A 27 9.438 -8.730 -9.964 1.00 34.21 H new ATOM 0 HD3 PRO A 27 10.393 -9.656 -11.105 1.00 34.21 H new ATOM 420 N SER A 28 12.543 -10.110 -6.110 1.00 72.14 N ATOM 421 CA SER A 28 12.595 -9.610 -4.736 1.00 25.21 C ATOM 422 C SER A 28 12.741 -8.083 -4.711 1.00 75.12 C ATOM 423 O SER A 28 12.157 -7.405 -3.859 1.00 11.31 O ATOM 424 CB SER A 28 13.769 -10.300 -4.028 1.00 53.44 C ATOM 425 OG SER A 28 14.883 -10.341 -4.902 1.00 70.44 O ATOM 0 H SER A 28 13.271 -10.794 -6.317 1.00 72.14 H new ATOM 0 HA SER A 28 11.665 -9.840 -4.216 1.00 25.21 H new ATOM 0 HB2 SER A 28 14.027 -9.761 -3.117 1.00 53.44 H new ATOM 0 HB3 SER A 28 13.487 -11.310 -3.732 1.00 53.44 H new ATOM 0 HG SER A 28 15.635 -10.780 -4.453 1.00 70.44 H new ATOM 431 N ASP A 29 13.479 -7.546 -5.685 1.00 23.54 N ATOM 432 CA ASP A 29 13.843 -6.141 -5.858 1.00 1.43 C ATOM 433 C ASP A 29 12.649 -5.233 -6.185 1.00 63.43 C ATOM 434 O ASP A 29 12.813 -4.013 -6.251 1.00 24.43 O ATOM 435 CB ASP A 29 14.927 -6.017 -6.938 1.00 2.33 C ATOM 436 CG ASP A 29 16.219 -6.739 -6.557 1.00 43.04 C ATOM 437 OD1 ASP A 29 16.668 -6.630 -5.391 1.00 3.13 O ATOM 438 OD2 ASP A 29 16.782 -7.433 -7.431 1.00 62.52 O ATOM 0 H ASP A 29 13.866 -8.127 -6.428 1.00 23.54 H new ATOM 0 HA ASP A 29 14.228 -5.794 -4.899 1.00 1.43 H new ATOM 0 HB2 ASP A 29 14.549 -6.425 -7.875 1.00 2.33 H new ATOM 0 HB3 ASP A 29 15.142 -4.963 -7.113 1.00 2.33 H new ATOM 443 N TRP A 30 11.442 -5.792 -6.352 1.00 32.11 N ATOM 444 CA TRP A 30 10.225 -5.056 -6.696 1.00 15.31 C ATOM 445 C TRP A 30 9.973 -3.867 -5.753 1.00 22.14 C ATOM 446 O TRP A 30 9.494 -2.816 -6.178 1.00 2.41 O ATOM 447 CB TRP A 30 9.027 -6.020 -6.693 1.00 52.02 C ATOM 448 CG TRP A 30 8.487 -6.405 -5.342 1.00 34.40 C ATOM 449 CD1 TRP A 30 8.873 -7.448 -4.570 1.00 72.53 C ATOM 450 CD2 TRP A 30 7.469 -5.707 -4.566 1.00 70.15 C ATOM 451 NE1 TRP A 30 8.179 -7.436 -3.381 1.00 35.11 N ATOM 452 CE2 TRP A 30 7.261 -6.406 -3.341 1.00 32.12 C ATOM 453 CE3 TRP A 30 6.720 -4.532 -4.775 1.00 73.23 C ATOM 454 CZ2 TRP A 30 6.336 -5.966 -2.377 1.00 11.11 C ATOM 455 CZ3 TRP A 30 5.814 -4.069 -3.807 1.00 42.30 C ATOM 456 CH2 TRP A 30 5.628 -4.784 -2.616 1.00 21.33 C ATOM 0 H TRP A 30 11.285 -6.794 -6.248 1.00 32.11 H new ATOM 0 HA TRP A 30 10.356 -4.637 -7.694 1.00 15.31 H new ATOM 0 HB2 TRP A 30 8.220 -5.565 -7.268 1.00 52.02 H new ATOM 0 HB3 TRP A 30 9.318 -6.930 -7.218 1.00 52.02 H new ATOM 0 HD1 TRP A 30 9.616 -8.182 -4.846 1.00 72.53 H new ATOM 0 HE1 TRP A 30 8.325 -8.104 -2.625 1.00 35.11 H new ATOM 0 HE3 TRP A 30 6.845 -3.979 -5.694 1.00 73.23 H new ATOM 0 HZ2 TRP A 30 6.176 -6.530 -1.470 1.00 11.11 H new ATOM 0 HZ3 TRP A 30 5.259 -3.159 -3.981 1.00 42.30 H new ATOM 0 HH2 TRP A 30 4.931 -4.419 -1.876 1.00 21.33 H new ATOM 467 N VAL A 31 10.331 -4.047 -4.480 1.00 71.43 N ATOM 468 CA VAL A 31 10.249 -3.119 -3.357 1.00 51.43 C ATOM 469 C VAL A 31 10.993 -1.821 -3.674 1.00 34.42 C ATOM 470 O VAL A 31 10.477 -0.719 -3.459 1.00 63.32 O ATOM 471 CB VAL A 31 10.897 -3.840 -2.155 1.00 32.41 C ATOM 472 CG1 VAL A 31 11.057 -3.024 -0.874 1.00 33.03 C ATOM 473 CG2 VAL A 31 10.155 -5.134 -1.816 1.00 62.12 C ATOM 0 H VAL A 31 10.726 -4.939 -4.183 1.00 71.43 H new ATOM 0 HA VAL A 31 9.215 -2.846 -3.144 1.00 51.43 H new ATOM 0 HB VAL A 31 11.908 -4.036 -2.511 1.00 32.41 H new ATOM 0 HG11 VAL A 31 11.523 -3.641 -0.106 1.00 33.03 H new ATOM 0 HG12 VAL A 31 11.684 -2.155 -1.072 1.00 33.03 H new ATOM 0 HG13 VAL A 31 10.078 -2.693 -0.529 1.00 33.03 H new ATOM 0 HG21 VAL A 31 10.636 -5.617 -0.966 1.00 62.12 H new ATOM 0 HG22 VAL A 31 9.119 -4.905 -1.565 1.00 62.12 H new ATOM 0 HG23 VAL A 31 10.180 -5.804 -2.676 1.00 62.12 H new ATOM 483 N ASP A 32 12.232 -1.954 -4.145 1.00 15.33 N ATOM 484 CA ASP A 32 13.118 -0.828 -4.400 1.00 62.13 C ATOM 485 C ASP A 32 12.717 -0.190 -5.722 1.00 25.34 C ATOM 486 O ASP A 32 12.662 1.030 -5.850 1.00 33.15 O ATOM 487 CB ASP A 32 14.575 -1.288 -4.512 1.00 10.35 C ATOM 488 CG ASP A 32 15.046 -2.065 -3.293 1.00 23.54 C ATOM 489 OD1 ASP A 32 15.522 -1.427 -2.325 1.00 52.44 O ATOM 490 OD2 ASP A 32 14.930 -3.316 -3.337 1.00 13.32 O ATOM 0 H ASP A 32 12.650 -2.859 -4.362 1.00 15.33 H new ATOM 0 HA ASP A 32 13.033 -0.122 -3.574 1.00 62.13 H new ATOM 0 HB2 ASP A 32 14.687 -1.911 -5.399 1.00 10.35 H new ATOM 0 HB3 ASP A 32 15.216 -0.417 -4.651 1.00 10.35 H new ATOM 495 N ARG A 33 12.372 -1.022 -6.706 1.00 61.11 N ATOM 496 CA ARG A 33 11.850 -0.580 -7.994 1.00 41.43 C ATOM 497 C ARG A 33 10.554 0.216 -7.828 1.00 11.50 C ATOM 498 O ARG A 33 10.235 1.041 -8.691 1.00 31.01 O ATOM 499 CB ARG A 33 11.631 -1.805 -8.892 1.00 71.42 C ATOM 500 CG ARG A 33 12.887 -2.271 -9.648 1.00 23.53 C ATOM 501 CD ARG A 33 12.553 -2.276 -11.142 1.00 14.02 C ATOM 502 NE ARG A 33 13.672 -2.662 -12.006 1.00 22.10 N ATOM 503 CZ ARG A 33 13.645 -2.542 -13.337 1.00 33.10 C ATOM 504 NH1 ARG A 33 12.548 -2.122 -13.958 1.00 50.33 N ATOM 505 NH2 ARG A 33 14.718 -2.847 -14.048 1.00 75.24 N ATOM 0 H ARG A 33 12.450 -2.036 -6.626 1.00 61.11 H new ATOM 0 HA ARG A 33 12.575 0.087 -8.461 1.00 41.43 H new ATOM 0 HB2 ARG A 33 11.264 -2.628 -8.279 1.00 71.42 H new ATOM 0 HB3 ARG A 33 10.850 -1.574 -9.617 1.00 71.42 H new ATOM 0 HG2 ARG A 33 13.725 -1.604 -9.445 1.00 23.53 H new ATOM 0 HG3 ARG A 33 13.185 -3.267 -9.319 1.00 23.53 H new ATOM 0 HD2 ARG A 33 11.722 -2.960 -11.315 1.00 14.02 H new ATOM 0 HD3 ARG A 33 12.212 -1.282 -11.430 1.00 14.02 H new ATOM 0 HE ARG A 33 14.513 -3.041 -11.570 1.00 22.10 H new ATOM 0 HH11 ARG A 33 11.715 -1.887 -13.419 1.00 50.33 H new ATOM 0 HH12 ARG A 33 12.539 -2.034 -14.974 1.00 50.33 H new ATOM 0 HH21 ARG A 33 15.564 -3.173 -13.580 1.00 75.24 H new ATOM 0 HH22 ARG A 33 14.699 -2.756 -15.064 1.00 75.24 H new ATOM 519 N MET A 34 9.798 -0.016 -6.752 1.00 24.42 N ATOM 520 CA MET A 34 8.649 0.799 -6.416 1.00 40.33 C ATOM 521 C MET A 34 9.109 2.121 -5.817 1.00 25.34 C ATOM 522 O MET A 34 8.787 3.168 -6.369 1.00 0.35 O ATOM 523 CB MET A 34 7.702 0.063 -5.465 1.00 4.34 C ATOM 524 CG MET A 34 6.667 -0.771 -6.226 1.00 1.45 C ATOM 525 SD MET A 34 5.031 -0.716 -5.446 1.00 63.51 S ATOM 526 CE MET A 34 4.021 -0.337 -6.897 1.00 32.42 C ATOM 0 H MET A 34 9.973 -0.776 -6.095 1.00 24.42 H new ATOM 0 HA MET A 34 8.092 1.004 -7.330 1.00 40.33 H new ATOM 0 HB2 MET A 34 8.280 -0.586 -4.807 1.00 4.34 H new ATOM 0 HB3 MET A 34 7.190 0.786 -4.830 1.00 4.34 H new ATOM 0 HG2 MET A 34 6.591 -0.406 -7.250 1.00 1.45 H new ATOM 0 HG3 MET A 34 7.006 -1.805 -6.281 1.00 1.45 H new ATOM 0 HE1 MET A 34 2.994 -0.657 -6.719 1.00 32.42 H new ATOM 0 HE2 MET A 34 4.039 0.737 -7.082 1.00 32.42 H new ATOM 0 HE3 MET A 34 4.420 -0.862 -7.765 1.00 32.42 H new ATOM 536 N CYS A 35 9.880 2.120 -4.720 1.00 65.34 N ATOM 537 CA CYS A 35 10.216 3.386 -4.068 1.00 43.40 C ATOM 538 C CYS A 35 10.916 4.349 -5.036 1.00 62.54 C ATOM 539 O CYS A 35 10.606 5.539 -5.035 1.00 32.42 O ATOM 540 CB CYS A 35 10.978 3.160 -2.757 1.00 2.13 C ATOM 541 SG CYS A 35 12.611 2.410 -2.973 1.00 21.22 S ATOM 0 H CYS A 35 10.269 1.286 -4.280 1.00 65.34 H new ATOM 0 HA CYS A 35 9.287 3.880 -3.784 1.00 43.40 H new ATOM 0 HB2 CYS A 35 11.094 4.116 -2.247 1.00 2.13 H new ATOM 0 HB3 CYS A 35 10.380 2.522 -2.107 1.00 2.13 H new ATOM 0 HG CYS A 35 13.515 3.343 -3.017 1.00 21.22 H new ATOM 547 N SER A 36 11.763 3.818 -5.918 1.00 45.04 N ATOM 548 CA SER A 36 12.443 4.501 -7.016 1.00 71.11 C ATOM 549 C SER A 36 11.515 5.187 -8.027 1.00 74.21 C ATOM 550 O SER A 36 11.931 6.127 -8.700 1.00 20.01 O ATOM 551 CB SER A 36 13.282 3.450 -7.726 1.00 24.41 C ATOM 552 OG SER A 36 14.256 2.925 -6.842 1.00 34.22 O ATOM 0 H SER A 36 12.009 2.829 -5.880 1.00 45.04 H new ATOM 0 HA SER A 36 13.034 5.312 -6.590 1.00 71.11 H new ATOM 0 HB2 SER A 36 12.641 2.648 -8.091 1.00 24.41 H new ATOM 0 HB3 SER A 36 13.769 3.890 -8.596 1.00 24.41 H new ATOM 0 HG SER A 36 13.959 2.053 -6.509 1.00 34.22 H new ATOM 558 N THR A 37 10.267 4.740 -8.151 1.00 64.15 N ATOM 559 CA THR A 37 9.270 5.321 -9.041 1.00 23.51 C ATOM 560 C THR A 37 8.608 6.551 -8.410 1.00 11.34 C ATOM 561 O THR A 37 7.994 7.341 -9.124 1.00 30.42 O ATOM 562 CB THR A 37 8.290 4.198 -9.437 1.00 15.45 C ATOM 563 OG1 THR A 37 9.031 3.263 -10.207 1.00 32.31 O ATOM 564 CG2 THR A 37 7.061 4.636 -10.241 1.00 73.54 C ATOM 0 H THR A 37 9.914 3.943 -7.621 1.00 64.15 H new ATOM 0 HA THR A 37 9.726 5.707 -9.952 1.00 23.51 H new ATOM 0 HB THR A 37 7.884 3.792 -8.511 1.00 15.45 H new ATOM 0 HG1 THR A 37 9.391 2.567 -9.619 1.00 32.31 H new ATOM 0 HG21 THR A 37 6.443 3.766 -10.464 1.00 73.54 H new ATOM 0 HG22 THR A 37 6.482 5.353 -9.659 1.00 73.54 H new ATOM 0 HG23 THR A 37 7.383 5.101 -11.173 1.00 73.54 H new ATOM 572 N TYR A 38 8.774 6.778 -7.106 1.00 3.30 N ATOM 573 CA TYR A 38 8.180 7.892 -6.374 1.00 61.15 C ATOM 574 C TYR A 38 9.303 8.732 -5.763 1.00 12.54 C ATOM 575 O TYR A 38 9.207 9.159 -4.611 1.00 34.20 O ATOM 576 CB TYR A 38 7.160 7.330 -5.367 1.00 63.13 C ATOM 577 CG TYR A 38 5.910 6.799 -6.046 1.00 74.12 C ATOM 578 CD1 TYR A 38 5.877 5.499 -6.589 1.00 14.53 C ATOM 579 CD2 TYR A 38 4.805 7.651 -6.222 1.00 52.33 C ATOM 580 CE1 TYR A 38 4.777 5.091 -7.364 1.00 61.15 C ATOM 581 CE2 TYR A 38 3.701 7.236 -6.986 1.00 23.43 C ATOM 582 CZ TYR A 38 3.687 5.955 -7.578 1.00 62.51 C ATOM 583 OH TYR A 38 2.677 5.588 -8.410 1.00 25.41 O ATOM 0 H TYR A 38 9.343 6.172 -6.515 1.00 3.30 H new ATOM 0 HA TYR A 38 7.620 8.569 -7.019 1.00 61.15 H new ATOM 0 HB2 TYR A 38 7.625 6.530 -4.791 1.00 63.13 H new ATOM 0 HB3 TYR A 38 6.882 8.112 -4.660 1.00 63.13 H new ATOM 0 HD1 TYR A 38 6.695 4.817 -6.410 1.00 14.53 H new ATOM 0 HD2 TYR A 38 4.805 8.631 -5.767 1.00 52.33 H new ATOM 0 HE1 TYR A 38 4.769 4.103 -7.800 1.00 61.15 H new ATOM 0 HE2 TYR A 38 2.860 7.900 -7.121 1.00 23.43 H new ATOM 0 HH TYR A 38 1.819 5.685 -7.946 1.00 25.41 H new ATOM 593 N ALA A 39 10.411 8.894 -6.492 1.00 11.42 N ATOM 594 CA ALA A 39 11.683 9.393 -5.990 1.00 54.44 C ATOM 595 C ALA A 39 12.295 10.416 -6.948 1.00 43.33 C ATOM 596 O ALA A 39 11.748 10.653 -8.028 1.00 31.22 O ATOM 597 CB ALA A 39 12.607 8.193 -5.834 1.00 52.40 C ATOM 0 H ALA A 39 10.442 8.671 -7.487 1.00 11.42 H new ATOM 0 HA ALA A 39 11.537 9.900 -5.036 1.00 54.44 H new ATOM 0 HB1 ALA A 39 13.575 8.525 -5.458 1.00 52.40 H new ATOM 0 HB2 ALA A 39 12.168 7.485 -5.131 1.00 52.40 H new ATOM 0 HB3 ALA A 39 12.740 7.708 -6.801 1.00 52.40 H new ATOM 603 N SER A 40 13.437 11.003 -6.575 1.00 45.45 N ATOM 604 CA SER A 40 14.153 11.955 -7.423 1.00 42.35 C ATOM 605 C SER A 40 15.585 12.156 -6.937 1.00 1.12 C ATOM 606 O SER A 40 15.905 11.925 -5.764 1.00 74.42 O ATOM 607 CB SER A 40 13.392 13.297 -7.493 1.00 4.42 C ATOM 608 OG SER A 40 13.125 13.896 -6.232 1.00 44.41 O ATOM 0 H SER A 40 13.889 10.830 -5.677 1.00 45.45 H new ATOM 0 HA SER A 40 14.205 11.542 -8.430 1.00 42.35 H new ATOM 0 HB2 SER A 40 13.971 13.996 -8.096 1.00 4.42 H new ATOM 0 HB3 SER A 40 12.446 13.136 -8.011 1.00 4.42 H new ATOM 0 HG SER A 40 12.644 14.739 -6.366 1.00 44.41 H new ATOM 614 N PHE A 41 16.452 12.619 -7.835 1.00 10.32 N ATOM 615 CA PHE A 41 17.736 13.197 -7.481 1.00 64.41 C ATOM 616 C PHE A 41 17.521 14.652 -7.096 1.00 31.20 C ATOM 617 O PHE A 41 16.892 15.400 -7.845 1.00 71.54 O ATOM 618 CB PHE A 41 18.679 13.173 -8.683 1.00 32.30 C ATOM 619 CG PHE A 41 19.490 11.910 -8.884 1.00 31.42 C ATOM 620 CD1 PHE A 41 18.897 10.634 -8.830 1.00 3.23 C ATOM 621 CD2 PHE A 41 20.860 12.022 -9.176 1.00 61.44 C ATOM 622 CE1 PHE A 41 19.660 9.489 -9.105 1.00 43.24 C ATOM 623 CE2 PHE A 41 21.628 10.877 -9.427 1.00 65.04 C ATOM 624 CZ PHE A 41 21.026 9.610 -9.414 1.00 41.02 C ATOM 0 H PHE A 41 16.276 12.601 -8.839 1.00 10.32 H new ATOM 0 HA PHE A 41 18.167 12.624 -6.660 1.00 64.41 H new ATOM 0 HB2 PHE A 41 18.088 13.345 -9.583 1.00 32.30 H new ATOM 0 HB3 PHE A 41 19.370 14.011 -8.590 1.00 32.30 H new ATOM 0 HD1 PHE A 41 17.852 10.536 -8.576 1.00 3.23 H new ATOM 0 HD2 PHE A 41 21.324 12.997 -9.207 1.00 61.44 H new ATOM 0 HE1 PHE A 41 19.197 8.514 -9.079 1.00 43.24 H new ATOM 0 HE2 PHE A 41 22.685 10.970 -9.631 1.00 65.04 H new ATOM 0 HZ PHE A 41 21.610 8.730 -9.641 1.00 41.02 H new ATOM 634 N GLY A 42 18.134 15.070 -5.998 1.00 0.44 N ATOM 635 CA GLY A 42 18.108 16.449 -5.541 1.00 12.22 C ATOM 636 C GLY A 42 18.940 16.646 -4.310 1.00 74.24 C ATOM 637 O GLY A 42 19.888 17.421 -4.405 1.00 3.20 O ATOM 0 H GLY A 42 18.671 14.450 -5.392 1.00 0.44 H new ATOM 0 HA2 GLY A 42 18.473 17.101 -6.334 1.00 12.22 H new ATOM 0 HA3 GLY A 42 17.079 16.744 -5.335 1.00 12.22 H new ATOM 641 N ALA A 43 18.690 15.937 -3.210 1.00 41.11 N ATOM 642 CA ALA A 43 19.563 16.030 -2.053 1.00 3.31 C ATOM 643 C ALA A 43 20.927 15.453 -2.390 1.00 25.34 C ATOM 644 O ALA A 43 21.188 14.252 -2.273 1.00 41.11 O ATOM 645 CB ALA A 43 19.024 15.355 -0.808 1.00 43.40 C ATOM 0 H ALA A 43 17.900 15.301 -3.101 1.00 41.11 H new ATOM 0 HA ALA A 43 19.633 17.092 -1.818 1.00 3.31 H new ATOM 0 HB1 ALA A 43 19.738 15.472 0.007 1.00 43.40 H new ATOM 0 HB2 ALA A 43 18.075 15.812 -0.528 1.00 43.40 H new ATOM 0 HB3 ALA A 43 18.871 14.294 -1.007 1.00 43.40 H new ATOM 651 N ASP A 44 21.781 16.370 -2.801 1.00 44.41 N ATOM 652 CA ASP A 44 23.193 16.216 -3.087 1.00 72.42 C ATOM 653 C ASP A 44 23.388 15.500 -4.434 1.00 33.15 C ATOM 654 O ASP A 44 24.315 14.720 -4.621 1.00 35.12 O ATOM 655 CB ASP A 44 23.947 15.572 -1.911 1.00 2.33 C ATOM 656 CG ASP A 44 25.443 15.918 -1.886 1.00 64.22 C ATOM 657 OD1 ASP A 44 26.115 15.951 -2.938 1.00 14.42 O ATOM 658 OD2 ASP A 44 25.954 16.228 -0.783 1.00 33.41 O ATOM 0 H ASP A 44 21.475 17.330 -2.957 1.00 44.41 H new ATOM 0 HA ASP A 44 23.646 17.201 -3.196 1.00 72.42 H new ATOM 0 HB2 ASP A 44 23.491 15.895 -0.975 1.00 2.33 H new ATOM 0 HB3 ASP A 44 23.832 14.489 -1.964 1.00 2.33 H new ATOM 663 N ARG A 45 22.432 15.676 -5.364 1.00 75.22 N ATOM 664 CA ARG A 45 22.344 14.906 -6.615 1.00 32.40 C ATOM 665 C ARG A 45 22.567 13.402 -6.347 1.00 52.32 C ATOM 666 O ARG A 45 23.153 12.681 -7.159 1.00 64.02 O ATOM 667 CB ARG A 45 23.294 15.500 -7.680 1.00 55.05 C ATOM 668 CG ARG A 45 22.910 16.884 -8.247 1.00 4.23 C ATOM 669 CD ARG A 45 23.013 18.072 -7.269 1.00 14.14 C ATOM 670 NE ARG A 45 23.244 19.328 -8.008 1.00 11.15 N ATOM 671 CZ ARG A 45 23.126 20.583 -7.559 1.00 2.24 C ATOM 672 NH1 ARG A 45 22.629 20.881 -6.368 1.00 3.44 N ATOM 673 NH2 ARG A 45 23.540 21.579 -8.329 1.00 12.23 N ATOM 0 H ARG A 45 21.689 16.368 -5.265 1.00 75.22 H new ATOM 0 HA ARG A 45 21.338 14.988 -7.026 1.00 32.40 H new ATOM 0 HB2 ARG A 45 24.291 15.573 -7.246 1.00 55.05 H new ATOM 0 HB3 ARG A 45 23.359 14.797 -8.510 1.00 55.05 H new ATOM 0 HG2 ARG A 45 23.548 17.091 -9.106 1.00 4.23 H new ATOM 0 HG3 ARG A 45 21.886 16.831 -8.616 1.00 4.23 H new ATOM 0 HD2 ARG A 45 22.097 18.150 -6.684 1.00 14.14 H new ATOM 0 HD3 ARG A 45 23.827 17.902 -6.565 1.00 14.14 H new ATOM 0 HE ARG A 45 23.529 19.227 -8.982 1.00 11.15 H new ATOM 0 HH11 ARG A 45 22.315 20.136 -5.746 1.00 3.44 H new ATOM 0 HH12 ARG A 45 22.561 21.855 -6.073 1.00 3.44 H new ATOM 0 HH21 ARG A 45 23.940 21.382 -9.246 1.00 12.23 H new ATOM 0 HH22 ARG A 45 23.458 22.542 -8.004 1.00 12.23 H new ATOM 687 N LYS A 46 22.085 12.928 -5.198 1.00 32.21 N ATOM 688 CA LYS A 46 21.862 11.528 -4.878 1.00 51.30 C ATOM 689 C LYS A 46 20.362 11.305 -4.925 1.00 50.42 C ATOM 690 O LYS A 46 19.574 12.251 -4.825 1.00 41.41 O ATOM 691 CB LYS A 46 22.407 11.224 -3.471 1.00 25.12 C ATOM 692 CG LYS A 46 23.771 10.521 -3.450 1.00 11.22 C ATOM 693 CD LYS A 46 24.890 11.392 -4.027 1.00 70.42 C ATOM 694 CE LYS A 46 26.215 10.626 -3.971 1.00 34.21 C ATOM 695 NZ LYS A 46 27.202 11.176 -4.917 1.00 63.31 N ATOM 0 H LYS A 46 21.828 13.547 -4.429 1.00 32.21 H new ATOM 0 HA LYS A 46 22.373 10.871 -5.582 1.00 51.30 H new ATOM 0 HB2 LYS A 46 22.487 12.159 -2.917 1.00 25.12 H new ATOM 0 HB3 LYS A 46 21.685 10.602 -2.943 1.00 25.12 H new ATOM 0 HG2 LYS A 46 24.020 10.249 -2.424 1.00 11.22 H new ATOM 0 HG3 LYS A 46 23.707 9.594 -4.019 1.00 11.22 H new ATOM 0 HD2 LYS A 46 24.659 11.665 -5.057 1.00 70.42 H new ATOM 0 HD3 LYS A 46 24.970 12.321 -3.462 1.00 70.42 H new ATOM 0 HE2 LYS A 46 26.618 10.669 -2.959 1.00 34.21 H new ATOM 0 HE3 LYS A 46 26.038 9.575 -4.200 1.00 34.21 H new ATOM 0 HZ1 LYS A 46 28.086 10.633 -4.851 1.00 63.31 H new ATOM 0 HZ2 LYS A 46 26.828 11.112 -5.885 1.00 63.31 H new ATOM 0 HZ3 LYS A 46 27.390 12.172 -4.683 1.00 63.31 H new ATOM 709 N LEU A 47 19.955 10.053 -5.064 1.00 20.35 N ATOM 710 CA LEU A 47 18.560 9.661 -5.088 1.00 22.22 C ATOM 711 C LEU A 47 17.953 9.825 -3.692 1.00 22.22 C ATOM 712 O LEU A 47 18.569 9.437 -2.701 1.00 2.42 O ATOM 713 CB LEU A 47 18.495 8.205 -5.573 1.00 3.52 C ATOM 714 CG LEU A 47 17.251 7.930 -6.419 1.00 1.15 C ATOM 715 CD1 LEU A 47 17.503 6.770 -7.366 1.00 2.43 C ATOM 716 CD2 LEU A 47 16.040 7.582 -5.567 1.00 4.44 C ATOM 0 H LEU A 47 20.599 9.269 -5.165 1.00 20.35 H new ATOM 0 HA LEU A 47 17.982 10.291 -5.764 1.00 22.22 H new ATOM 0 HB2 LEU A 47 19.387 7.979 -6.158 1.00 3.52 H new ATOM 0 HB3 LEU A 47 18.501 7.537 -4.712 1.00 3.52 H new ATOM 0 HG LEU A 47 17.044 8.847 -6.971 1.00 1.15 H new ATOM 0 HD11 LEU A 47 16.609 6.586 -7.962 1.00 2.43 H new ATOM 0 HD12 LEU A 47 18.335 7.014 -8.026 1.00 2.43 H new ATOM 0 HD13 LEU A 47 17.746 5.877 -6.791 1.00 2.43 H new ATOM 0 HD21 LEU A 47 15.182 7.395 -6.213 1.00 4.44 H new ATOM 0 HD22 LEU A 47 16.253 6.689 -4.980 1.00 4.44 H new ATOM 0 HD23 LEU A 47 15.816 8.412 -4.897 1.00 4.44 H new ATOM 728 N ARG A 48 16.725 10.334 -3.592 1.00 35.23 N ATOM 729 CA ARG A 48 15.888 10.218 -2.400 1.00 4.03 C ATOM 730 C ARG A 48 14.544 9.663 -2.803 1.00 24.03 C ATOM 731 O ARG A 48 13.826 10.284 -3.592 1.00 34.04 O ATOM 732 CB ARG A 48 15.670 11.552 -1.660 1.00 1.14 C ATOM 733 CG ARG A 48 16.592 11.693 -0.438 1.00 54.25 C ATOM 734 CD ARG A 48 16.235 10.686 0.682 1.00 42.14 C ATOM 735 NE ARG A 48 15.699 11.338 1.889 1.00 61.13 N ATOM 736 CZ ARG A 48 15.133 10.745 2.952 1.00 44.21 C ATOM 737 NH1 ARG A 48 14.984 9.422 3.015 1.00 22.41 N ATOM 738 NH2 ARG A 48 14.744 11.507 3.964 1.00 30.41 N ATOM 0 H ARG A 48 16.277 10.847 -4.351 1.00 35.23 H new ATOM 0 HA ARG A 48 16.414 9.557 -1.710 1.00 4.03 H new ATOM 0 HB2 ARG A 48 15.849 12.380 -2.346 1.00 1.14 H new ATOM 0 HB3 ARG A 48 14.631 11.623 -1.339 1.00 1.14 H new ATOM 0 HG2 ARG A 48 17.626 11.540 -0.746 1.00 54.25 H new ATOM 0 HG3 ARG A 48 16.522 12.708 -0.047 1.00 54.25 H new ATOM 0 HD2 ARG A 48 15.501 9.974 0.303 1.00 42.14 H new ATOM 0 HD3 ARG A 48 17.125 10.116 0.948 1.00 42.14 H new ATOM 0 HE ARG A 48 15.765 12.355 1.921 1.00 61.13 H new ATOM 0 HH11 ARG A 48 15.303 8.836 2.244 1.00 22.41 H new ATOM 0 HH12 ARG A 48 14.551 8.996 3.834 1.00 22.41 H new ATOM 0 HH21 ARG A 48 14.878 12.517 3.922 1.00 30.41 H new ATOM 0 HH22 ARG A 48 14.311 11.083 4.784 1.00 30.41 H new ATOM 752 N TYR A 49 14.211 8.516 -2.226 1.00 63.35 N ATOM 753 CA TYR A 49 12.833 8.102 -2.049 1.00 43.12 C ATOM 754 C TYR A 49 12.134 9.155 -1.189 1.00 55.02 C ATOM 755 O TYR A 49 12.769 9.752 -0.313 1.00 42.13 O ATOM 756 CB TYR A 49 12.827 6.709 -1.393 1.00 2.43 C ATOM 757 CG TYR A 49 13.830 5.740 -2.008 1.00 32.24 C ATOM 758 CD1 TYR A 49 13.855 5.545 -3.401 1.00 31.01 C ATOM 759 CD2 TYR A 49 14.797 5.106 -1.205 1.00 64.54 C ATOM 760 CE1 TYR A 49 14.823 4.710 -3.990 1.00 55.44 C ATOM 761 CE2 TYR A 49 15.747 4.246 -1.787 1.00 25.21 C ATOM 762 CZ TYR A 49 15.748 4.019 -3.179 1.00 33.21 C ATOM 763 OH TYR A 49 16.600 3.113 -3.734 1.00 35.10 O ATOM 0 H TYR A 49 14.893 7.848 -1.868 1.00 63.35 H new ATOM 0 HA TYR A 49 12.298 8.026 -2.996 1.00 43.12 H new ATOM 0 HB2 TYR A 49 13.043 6.816 -0.330 1.00 2.43 H new ATOM 0 HB3 TYR A 49 11.827 6.283 -1.473 1.00 2.43 H new ATOM 0 HD1 TYR A 49 13.125 6.040 -4.024 1.00 31.01 H new ATOM 0 HD2 TYR A 49 14.810 5.280 -0.139 1.00 64.54 H new ATOM 0 HE1 TYR A 49 14.858 4.598 -5.064 1.00 55.44 H new ATOM 0 HE2 TYR A 49 16.480 3.756 -1.163 1.00 25.21 H new ATOM 0 HH TYR A 49 17.170 2.730 -3.035 1.00 35.10 H new ATOM 773 N SER A 50 10.850 9.378 -1.445 1.00 11.42 N ATOM 774 CA SER A 50 9.970 10.102 -0.536 1.00 21.02 C ATOM 775 C SER A 50 9.753 9.273 0.738 1.00 15.30 C ATOM 776 O SER A 50 9.866 8.048 0.702 1.00 22.23 O ATOM 777 CB SER A 50 8.641 10.403 -1.243 1.00 11.41 C ATOM 778 OG SER A 50 8.741 11.579 -2.038 1.00 3.34 O ATOM 0 H SER A 50 10.387 9.059 -2.296 1.00 11.42 H new ATOM 0 HA SER A 50 10.425 11.050 -0.249 1.00 21.02 H new ATOM 0 HB2 SER A 50 8.360 9.558 -1.871 1.00 11.41 H new ATOM 0 HB3 SER A 50 7.851 10.527 -0.502 1.00 11.41 H new ATOM 0 HG SER A 50 7.883 11.749 -2.480 1.00 3.34 H new ATOM 784 N PRO A 51 9.375 9.907 1.862 1.00 61.23 N ATOM 785 CA PRO A 51 9.259 9.211 3.139 1.00 71.23 C ATOM 786 C PRO A 51 8.035 8.281 3.187 1.00 42.32 C ATOM 787 O PRO A 51 7.914 7.458 4.098 1.00 40.53 O ATOM 788 CB PRO A 51 9.192 10.329 4.185 1.00 61.24 C ATOM 789 CG PRO A 51 8.544 11.493 3.435 1.00 2.35 C ATOM 790 CD PRO A 51 9.070 11.326 2.014 1.00 61.23 C ATOM 0 HA PRO A 51 10.102 8.544 3.318 1.00 71.23 H new ATOM 0 HB2 PRO A 51 8.600 10.032 5.051 1.00 61.24 H new ATOM 0 HB3 PRO A 51 10.184 10.593 4.553 1.00 61.24 H new ATOM 0 HG2 PRO A 51 7.456 11.439 3.471 1.00 2.35 H new ATOM 0 HG3 PRO A 51 8.830 12.455 3.860 1.00 2.35 H new ATOM 0 HD2 PRO A 51 8.327 11.646 1.283 1.00 61.23 H new ATOM 0 HD3 PRO A 51 9.959 11.936 1.853 1.00 61.23 H new ATOM 798 N TYR A 52 7.128 8.390 2.212 1.00 71.11 N ATOM 799 CA TYR A 52 5.834 7.720 2.191 1.00 72.22 C ATOM 800 C TYR A 52 5.898 6.258 1.734 1.00 1.43 C ATOM 801 O TYR A 52 4.856 5.689 1.421 1.00 31.24 O ATOM 802 CB TYR A 52 4.845 8.556 1.348 1.00 41.41 C ATOM 803 CG TYR A 52 4.725 10.015 1.762 1.00 74.32 C ATOM 804 CD1 TYR A 52 4.676 10.376 3.127 1.00 24.40 C ATOM 805 CD2 TYR A 52 4.528 10.999 0.775 1.00 1.23 C ATOM 806 CE1 TYR A 52 4.411 11.707 3.501 1.00 52.53 C ATOM 807 CE2 TYR A 52 4.291 12.333 1.148 1.00 52.44 C ATOM 808 CZ TYR A 52 4.243 12.703 2.509 1.00 11.51 C ATOM 809 OH TYR A 52 3.988 14.004 2.825 1.00 10.34 O ATOM 0 H TYR A 52 7.285 8.970 1.388 1.00 71.11 H new ATOM 0 HA TYR A 52 5.475 7.662 3.219 1.00 72.22 H new ATOM 0 HB2 TYR A 52 5.155 8.514 0.304 1.00 41.41 H new ATOM 0 HB3 TYR A 52 3.859 8.094 1.407 1.00 41.41 H new ATOM 0 HD1 TYR A 52 4.843 9.627 3.887 1.00 24.40 H new ATOM 0 HD2 TYR A 52 4.559 10.729 -0.270 1.00 1.23 H new ATOM 0 HE1 TYR A 52 4.336 11.969 4.546 1.00 52.53 H new ATOM 0 HE2 TYR A 52 4.144 13.083 0.385 1.00 52.44 H new ATOM 0 HH TYR A 52 3.907 14.531 2.002 1.00 10.34 H new ATOM 819 N LEU A 53 7.090 5.664 1.634 1.00 1.54 N ATOM 820 CA LEU A 53 7.329 4.404 0.941 1.00 5.41 C ATOM 821 C LEU A 53 8.583 3.755 1.537 1.00 64.52 C ATOM 822 O LEU A 53 9.683 4.200 1.208 1.00 32.23 O ATOM 823 CB LEU A 53 7.523 4.741 -0.560 1.00 73.12 C ATOM 824 CG LEU A 53 6.299 4.388 -1.423 1.00 15.34 C ATOM 825 CD1 LEU A 53 6.394 5.097 -2.773 1.00 3.13 C ATOM 826 CD2 LEU A 53 6.210 2.877 -1.640 1.00 21.53 C ATOM 0 H LEU A 53 7.935 6.060 2.045 1.00 1.54 H new ATOM 0 HA LEU A 53 6.501 3.704 1.051 1.00 5.41 H new ATOM 0 HB2 LEU A 53 7.737 5.805 -0.662 1.00 73.12 H new ATOM 0 HB3 LEU A 53 8.393 4.203 -0.937 1.00 73.12 H new ATOM 0 HG LEU A 53 5.401 4.719 -0.901 1.00 15.34 H new ATOM 0 HD11 LEU A 53 5.525 4.843 -3.379 1.00 3.13 H new ATOM 0 HD12 LEU A 53 6.425 6.175 -2.616 1.00 3.13 H new ATOM 0 HD13 LEU A 53 7.301 4.779 -3.288 1.00 3.13 H new ATOM 0 HD21 LEU A 53 5.338 2.648 -2.253 1.00 21.53 H new ATOM 0 HD22 LEU A 53 7.110 2.528 -2.146 1.00 21.53 H new ATOM 0 HD23 LEU A 53 6.118 2.376 -0.676 1.00 21.53 H new ATOM 838 N LYS A 54 8.469 2.751 2.423 1.00 21.45 N ATOM 839 CA LYS A 54 9.630 2.075 3.041 1.00 32.44 C ATOM 840 C LYS A 54 9.400 0.572 3.232 1.00 12.42 C ATOM 841 O LYS A 54 8.264 0.168 3.456 1.00 12.44 O ATOM 842 CB LYS A 54 9.996 2.713 4.393 1.00 61.02 C ATOM 843 CG LYS A 54 10.542 4.142 4.211 1.00 12.12 C ATOM 844 CD LYS A 54 11.520 4.620 5.285 1.00 13.14 C ATOM 845 CE LYS A 54 11.016 4.404 6.712 1.00 64.44 C ATOM 846 NZ LYS A 54 11.786 5.225 7.660 1.00 32.15 N ATOM 0 H LYS A 54 7.570 2.383 2.733 1.00 21.45 H new ATOM 0 HA LYS A 54 10.459 2.205 2.345 1.00 32.44 H new ATOM 0 HB2 LYS A 54 9.116 2.737 5.036 1.00 61.02 H new ATOM 0 HB3 LYS A 54 10.742 2.098 4.897 1.00 61.02 H new ATOM 0 HG2 LYS A 54 11.038 4.201 3.242 1.00 12.12 H new ATOM 0 HG3 LYS A 54 9.699 4.832 4.180 1.00 12.12 H new ATOM 0 HD2 LYS A 54 12.468 4.096 5.160 1.00 13.14 H new ATOM 0 HD3 LYS A 54 11.720 5.681 5.136 1.00 13.14 H new ATOM 0 HE2 LYS A 54 9.959 4.662 6.774 1.00 64.44 H new ATOM 0 HE3 LYS A 54 11.103 3.351 6.979 1.00 64.44 H new ATOM 0 HZ1 LYS A 54 11.431 5.066 8.625 1.00 32.15 H new ATOM 0 HZ2 LYS A 54 12.790 4.960 7.613 1.00 32.15 H new ATOM 0 HZ3 LYS A 54 11.681 6.230 7.413 1.00 32.15 H new ATOM 860 N PRO A 55 10.437 -0.280 3.162 1.00 30.32 N ATOM 861 CA PRO A 55 10.301 -1.712 3.415 1.00 73.15 C ATOM 862 C PRO A 55 10.070 -2.004 4.904 1.00 1.33 C ATOM 863 O PRO A 55 10.230 -1.132 5.769 1.00 13.23 O ATOM 864 CB PRO A 55 11.607 -2.328 2.907 1.00 14.32 C ATOM 865 CG PRO A 55 12.625 -1.218 3.147 1.00 45.44 C ATOM 866 CD PRO A 55 11.817 0.041 2.829 1.00 74.42 C ATOM 0 HA PRO A 55 9.434 -2.135 2.908 1.00 73.15 H new ATOM 0 HB2 PRO A 55 11.864 -3.236 3.452 1.00 14.32 H new ATOM 0 HB3 PRO A 55 11.543 -2.596 1.852 1.00 14.32 H new ATOM 0 HG2 PRO A 55 12.991 -1.217 4.174 1.00 45.44 H new ATOM 0 HG3 PRO A 55 13.495 -1.317 2.498 1.00 45.44 H new ATOM 0 HD2 PRO A 55 12.172 0.891 3.411 1.00 74.42 H new ATOM 0 HD3 PRO A 55 11.913 0.312 1.778 1.00 74.42 H new ATOM 874 N ARG A 56 9.704 -3.248 5.214 1.00 13.23 N ATOM 875 CA ARG A 56 9.514 -3.759 6.575 1.00 14.41 C ATOM 876 C ARG A 56 9.909 -5.236 6.604 1.00 21.35 C ATOM 877 O ARG A 56 10.509 -5.714 5.641 1.00 51.13 O ATOM 878 CB ARG A 56 8.065 -3.493 7.038 1.00 32.42 C ATOM 879 CG ARG A 56 8.063 -2.453 8.159 1.00 61.14 C ATOM 880 CD ARG A 56 6.667 -2.278 8.745 1.00 22.51 C ATOM 881 NE ARG A 56 6.684 -1.225 9.763 1.00 15.05 N ATOM 882 CZ ARG A 56 5.708 -0.935 10.626 1.00 1.32 C ATOM 883 NH1 ARG A 56 4.648 -1.727 10.778 1.00 0.14 N ATOM 884 NH2 ARG A 56 5.815 0.176 11.333 1.00 3.12 N ATOM 0 H ARG A 56 9.525 -3.954 4.500 1.00 13.23 H new ATOM 0 HA ARG A 56 10.156 -3.240 7.286 1.00 14.41 H new ATOM 0 HB2 ARG A 56 7.465 -3.139 6.200 1.00 32.42 H new ATOM 0 HB3 ARG A 56 7.609 -4.419 7.388 1.00 32.42 H new ATOM 0 HG2 ARG A 56 8.754 -2.759 8.944 1.00 61.14 H new ATOM 0 HG3 ARG A 56 8.421 -1.498 7.774 1.00 61.14 H new ATOM 0 HD2 ARG A 56 5.961 -2.022 7.955 1.00 22.51 H new ATOM 0 HD3 ARG A 56 6.327 -3.216 9.184 1.00 22.51 H new ATOM 0 HE ARG A 56 7.528 -0.655 9.818 1.00 15.05 H new ATOM 0 HH11 ARG A 56 4.567 -2.581 10.227 1.00 0.14 H new ATOM 0 HH12 ARG A 56 3.918 -1.479 11.446 1.00 0.14 H new ATOM 0 HH21 ARG A 56 6.626 0.782 11.210 1.00 3.12 H new ATOM 0 HH22 ARG A 56 5.087 0.427 12.001 1.00 3.12 H new ATOM 898 N VAL A 57 9.614 -5.973 7.682 1.00 0.31 N ATOM 899 CA VAL A 57 9.733 -7.427 7.670 1.00 70.30 C ATOM 900 C VAL A 57 8.519 -8.041 8.364 1.00 44.33 C ATOM 901 O VAL A 57 8.457 -8.082 9.593 1.00 60.44 O ATOM 902 CB VAL A 57 11.073 -7.923 8.251 1.00 1.14 C ATOM 903 CG1 VAL A 57 11.238 -9.424 7.972 1.00 23.13 C ATOM 904 CG2 VAL A 57 12.295 -7.201 7.666 1.00 73.44 C ATOM 0 H VAL A 57 9.293 -5.583 8.568 1.00 0.31 H new ATOM 0 HA VAL A 57 9.743 -7.764 6.634 1.00 70.30 H new ATOM 0 HB VAL A 57 11.034 -7.712 9.320 1.00 1.14 H new ATOM 0 HG11 VAL A 57 12.186 -9.769 8.385 1.00 23.13 H new ATOM 0 HG12 VAL A 57 10.419 -9.973 8.437 1.00 23.13 H new ATOM 0 HG13 VAL A 57 11.226 -9.598 6.896 1.00 23.13 H new ATOM 0 HG21 VAL A 57 13.204 -7.599 8.118 1.00 73.44 H new ATOM 0 HG22 VAL A 57 12.328 -7.357 6.588 1.00 73.44 H new ATOM 0 HG23 VAL A 57 12.222 -6.134 7.876 1.00 73.44 H new ATOM 914 N ILE A 58 7.558 -8.532 7.582 1.00 21.23 N ATOM 915 CA ILE A 58 6.321 -9.151 8.060 1.00 0.31 C ATOM 916 C ILE A 58 6.346 -10.586 7.564 1.00 12.41 C ATOM 917 O ILE A 58 6.615 -10.793 6.387 1.00 65.30 O ATOM 918 CB ILE A 58 5.102 -8.388 7.506 1.00 1.03 C ATOM 919 CG1 ILE A 58 5.065 -6.962 8.091 1.00 50.33 C ATOM 920 CG2 ILE A 58 3.795 -9.139 7.809 1.00 33.34 C ATOM 921 CD1 ILE A 58 4.037 -6.082 7.386 1.00 73.42 C ATOM 0 H ILE A 58 7.621 -8.509 6.564 1.00 21.23 H new ATOM 0 HA ILE A 58 6.245 -9.122 9.147 1.00 0.31 H new ATOM 0 HB ILE A 58 5.198 -8.320 6.422 1.00 1.03 H new ATOM 0 HG12 ILE A 58 4.831 -7.012 9.154 1.00 50.33 H new ATOM 0 HG13 ILE A 58 6.052 -6.508 8.003 1.00 50.33 H new ATOM 0 HG21 ILE A 58 2.951 -8.578 7.407 1.00 33.34 H new ATOM 0 HG22 ILE A 58 3.827 -10.126 7.348 1.00 33.34 H new ATOM 0 HG23 ILE A 58 3.678 -9.246 8.887 1.00 33.34 H new ATOM 0 HD11 ILE A 58 4.045 -5.087 7.830 1.00 73.42 H new ATOM 0 HD12 ILE A 58 4.285 -6.009 6.327 1.00 73.42 H new ATOM 0 HD13 ILE A 58 3.045 -6.521 7.497 1.00 73.42 H new ATOM 933 N GLU A 59 6.096 -11.567 8.428 1.00 40.41 N ATOM 934 CA GLU A 59 6.174 -12.992 8.105 1.00 71.11 C ATOM 935 C GLU A 59 7.444 -13.364 7.295 1.00 51.51 C ATOM 936 O GLU A 59 7.406 -14.251 6.439 1.00 33.43 O ATOM 937 CB GLU A 59 4.874 -13.436 7.389 1.00 54.43 C ATOM 938 CG GLU A 59 3.560 -13.342 8.172 1.00 11.10 C ATOM 939 CD GLU A 59 2.413 -13.901 7.317 1.00 30.32 C ATOM 940 OE1 GLU A 59 1.870 -13.171 6.457 1.00 44.04 O ATOM 941 OE2 GLU A 59 2.079 -15.097 7.470 1.00 42.32 O ATOM 0 H GLU A 59 5.827 -11.390 9.396 1.00 40.41 H new ATOM 0 HA GLU A 59 6.265 -13.541 9.042 1.00 71.11 H new ATOM 0 HB2 GLU A 59 4.769 -12.837 6.484 1.00 54.43 H new ATOM 0 HB3 GLU A 59 5.002 -14.471 7.073 1.00 54.43 H new ATOM 0 HG2 GLU A 59 3.639 -13.901 9.104 1.00 11.10 H new ATOM 0 HG3 GLU A 59 3.357 -12.305 8.439 1.00 11.10 H new ATOM 948 N GLY A 60 8.569 -12.668 7.520 1.00 63.51 N ATOM 949 CA GLY A 60 9.826 -12.908 6.810 1.00 54.43 C ATOM 950 C GLY A 60 9.918 -12.281 5.411 1.00 13.13 C ATOM 951 O GLY A 60 10.959 -12.424 4.765 1.00 34.22 O ATOM 0 H GLY A 60 8.628 -11.917 8.207 1.00 63.51 H new ATOM 0 HA2 GLY A 60 10.646 -12.525 7.417 1.00 54.43 H new ATOM 0 HA3 GLY A 60 9.973 -13.984 6.719 1.00 54.43 H new ATOM 955 N VAL A 61 8.885 -11.594 4.922 1.00 52.23 N ATOM 956 CA VAL A 61 8.855 -10.931 3.618 1.00 0.15 C ATOM 957 C VAL A 61 9.554 -9.564 3.699 1.00 32.33 C ATOM 958 O VAL A 61 9.751 -9.037 4.792 1.00 52.04 O ATOM 959 CB VAL A 61 7.388 -10.870 3.156 1.00 11.11 C ATOM 960 CG1 VAL A 61 6.609 -9.667 3.681 1.00 53.42 C ATOM 961 CG2 VAL A 61 7.227 -10.944 1.640 1.00 61.14 C ATOM 0 H VAL A 61 8.015 -11.480 5.442 1.00 52.23 H new ATOM 0 HA VAL A 61 9.414 -11.487 2.865 1.00 0.15 H new ATOM 0 HB VAL A 61 6.957 -11.766 3.603 1.00 11.11 H new ATOM 0 HG11 VAL A 61 5.586 -9.704 3.306 1.00 53.42 H new ATOM 0 HG12 VAL A 61 6.597 -9.688 4.771 1.00 53.42 H new ATOM 0 HG13 VAL A 61 7.087 -8.748 3.341 1.00 53.42 H new ATOM 0 HG21 VAL A 61 6.169 -10.896 1.384 1.00 61.14 H new ATOM 0 HG22 VAL A 61 7.751 -10.108 1.177 1.00 61.14 H new ATOM 0 HG23 VAL A 61 7.646 -11.882 1.275 1.00 61.14 H new ATOM 971 N ARG A 62 9.889 -8.947 2.562 1.00 22.40 N ATOM 972 CA ARG A 62 10.417 -7.576 2.528 1.00 55.22 C ATOM 973 C ARG A 62 9.324 -6.514 2.606 1.00 53.42 C ATOM 974 O ARG A 62 9.597 -5.376 2.990 1.00 70.14 O ATOM 975 CB ARG A 62 11.312 -7.368 1.284 1.00 32.02 C ATOM 976 CG ARG A 62 12.489 -8.359 1.203 1.00 4.34 C ATOM 977 CD ARG A 62 13.737 -7.894 0.448 1.00 65.34 C ATOM 978 NE ARG A 62 13.456 -7.254 -0.845 1.00 31.33 N ATOM 979 CZ ARG A 62 14.270 -6.363 -1.427 1.00 12.23 C ATOM 980 NH1 ARG A 62 15.506 -6.150 -0.999 1.00 43.01 N ATOM 981 NH2 ARG A 62 13.822 -5.676 -2.458 1.00 61.43 N ATOM 0 H ARG A 62 9.803 -9.380 1.642 1.00 22.40 H new ATOM 0 HA ARG A 62 11.026 -7.450 3.423 1.00 55.22 H new ATOM 0 HB2 ARG A 62 10.702 -7.466 0.386 1.00 32.02 H new ATOM 0 HB3 ARG A 62 11.703 -6.351 1.293 1.00 32.02 H new ATOM 0 HG2 ARG A 62 12.785 -8.618 2.220 1.00 4.34 H new ATOM 0 HG3 ARG A 62 12.130 -9.274 0.733 1.00 4.34 H new ATOM 0 HD2 ARG A 62 14.287 -7.193 1.076 1.00 65.34 H new ATOM 0 HD3 ARG A 62 14.388 -8.752 0.282 1.00 65.34 H new ATOM 0 HE ARG A 62 12.592 -7.502 -1.327 1.00 31.33 H new ATOM 0 HH11 ARG A 62 15.867 -6.673 -0.201 1.00 43.01 H new ATOM 0 HH12 ARG A 62 16.097 -5.463 -1.468 1.00 43.01 H new ATOM 0 HH21 ARG A 62 12.872 -5.828 -2.798 1.00 61.43 H new ATOM 0 HH22 ARG A 62 14.425 -4.993 -2.916 1.00 61.43 H new ATOM 995 N CYS A 63 8.101 -6.893 2.215 1.00 61.34 N ATOM 996 CA CYS A 63 6.912 -6.052 2.103 1.00 74.20 C ATOM 997 C CYS A 63 7.213 -4.699 1.429 1.00 1.25 C ATOM 998 O CYS A 63 8.207 -4.578 0.711 1.00 2.03 O ATOM 999 CB CYS A 63 6.120 -6.036 3.426 1.00 50.00 C ATOM 1000 SG CYS A 63 7.094 -5.942 4.945 1.00 3.42 S ATOM 0 H CYS A 63 7.907 -7.859 1.952 1.00 61.34 H new ATOM 0 HA CYS A 63 6.209 -6.495 1.398 1.00 74.20 H new ATOM 0 HB2 CYS A 63 5.437 -5.187 3.405 1.00 50.00 H new ATOM 0 HB3 CYS A 63 5.507 -6.937 3.468 1.00 50.00 H new ATOM 0 HG CYS A 63 6.568 -6.718 5.846 1.00 3.42 H new ATOM 1006 N LEU A 64 6.305 -3.728 1.539 1.00 25.12 N ATOM 1007 CA LEU A 64 6.500 -2.327 1.204 1.00 53.44 C ATOM 1008 C LEU A 64 5.404 -1.562 1.955 1.00 3.21 C ATOM 1009 O LEU A 64 4.230 -1.670 1.604 1.00 60.33 O ATOM 1010 CB LEU A 64 6.404 -2.095 -0.322 1.00 33.22 C ATOM 1011 CG LEU A 64 7.395 -1.061 -0.886 1.00 31.14 C ATOM 1012 CD1 LEU A 64 6.887 -0.559 -2.235 1.00 12.22 C ATOM 1013 CD2 LEU A 64 7.686 0.134 0.023 1.00 34.11 C ATOM 0 H LEU A 64 5.363 -3.914 1.884 1.00 25.12 H new ATOM 0 HA LEU A 64 7.493 -1.984 1.494 1.00 53.44 H new ATOM 0 HB2 LEU A 64 6.566 -3.046 -0.830 1.00 33.22 H new ATOM 0 HB3 LEU A 64 5.391 -1.774 -0.563 1.00 33.22 H new ATOM 0 HG LEU A 64 8.344 -1.590 -0.979 1.00 31.14 H new ATOM 0 HD11 LEU A 64 7.587 0.174 -2.637 1.00 12.22 H new ATOM 0 HD12 LEU A 64 6.802 -1.397 -2.926 1.00 12.22 H new ATOM 0 HD13 LEU A 64 5.909 -0.094 -2.106 1.00 12.22 H new ATOM 0 HD21 LEU A 64 8.395 0.801 -0.468 1.00 34.11 H new ATOM 0 HD22 LEU A 64 6.760 0.673 0.223 1.00 34.11 H new ATOM 0 HD23 LEU A 64 8.111 -0.219 0.963 1.00 34.11 H new ATOM 1025 N ALA A 65 5.748 -0.887 3.050 1.00 65.32 N ATOM 1026 CA ALA A 65 4.834 -0.014 3.767 1.00 34.24 C ATOM 1027 C ALA A 65 4.665 1.270 2.972 1.00 33.44 C ATOM 1028 O ALA A 65 5.669 1.869 2.571 1.00 30.44 O ATOM 1029 CB ALA A 65 5.398 0.325 5.147 1.00 70.44 C ATOM 0 H ALA A 65 6.679 -0.934 3.465 1.00 65.32 H new ATOM 0 HA ALA A 65 3.875 -0.518 3.890 1.00 34.24 H new ATOM 0 HB1 ALA A 65 4.703 0.980 5.673 1.00 70.44 H new ATOM 0 HB2 ALA A 65 5.536 -0.593 5.719 1.00 70.44 H new ATOM 0 HB3 ALA A 65 6.357 0.830 5.034 1.00 70.44 H new ATOM 1035 N VAL A 66 3.424 1.716 2.799 1.00 41.02 N ATOM 1036 CA VAL A 66 3.116 2.985 2.168 1.00 31.23 C ATOM 1037 C VAL A 66 2.439 3.847 3.248 1.00 63.13 C ATOM 1038 O VAL A 66 1.833 3.320 4.182 1.00 15.44 O ATOM 1039 CB VAL A 66 2.275 2.665 0.930 1.00 53.44 C ATOM 1040 CG1 VAL A 66 1.643 3.906 0.289 1.00 21.52 C ATOM 1041 CG2 VAL A 66 3.107 1.911 -0.121 1.00 72.21 C ATOM 0 H VAL A 66 2.598 1.197 3.098 1.00 41.02 H new ATOM 0 HA VAL A 66 3.969 3.560 1.808 1.00 31.23 H new ATOM 0 HB VAL A 66 1.461 2.031 1.281 1.00 53.44 H new ATOM 0 HG11 VAL A 66 1.061 3.608 -0.583 1.00 21.52 H new ATOM 0 HG12 VAL A 66 0.990 4.396 1.011 1.00 21.52 H new ATOM 0 HG13 VAL A 66 2.428 4.597 -0.018 1.00 21.52 H new ATOM 0 HG21 VAL A 66 2.486 1.696 -0.991 1.00 72.21 H new ATOM 0 HG22 VAL A 66 3.955 2.526 -0.424 1.00 72.21 H new ATOM 0 HG23 VAL A 66 3.471 0.976 0.305 1.00 72.21 H new ATOM 1051 N ASP A 67 2.529 5.169 3.147 1.00 23.42 N ATOM 1052 CA ASP A 67 1.817 6.105 4.011 1.00 14.42 C ATOM 1053 C ASP A 67 0.668 6.706 3.185 1.00 52.02 C ATOM 1054 O ASP A 67 0.810 6.909 1.975 1.00 32.13 O ATOM 1055 CB ASP A 67 2.851 7.120 4.505 1.00 13.32 C ATOM 1056 CG ASP A 67 2.333 8.166 5.475 1.00 62.02 C ATOM 1057 OD1 ASP A 67 1.332 8.821 5.137 1.00 71.21 O ATOM 1058 OD2 ASP A 67 3.037 8.424 6.477 1.00 31.03 O ATOM 0 H ASP A 67 3.111 5.630 2.448 1.00 23.42 H new ATOM 0 HA ASP A 67 1.362 5.654 4.893 1.00 14.42 H new ATOM 0 HB2 ASP A 67 3.666 6.577 4.985 1.00 13.32 H new ATOM 0 HB3 ASP A 67 3.274 7.631 3.640 1.00 13.32 H new ATOM 1063 N LEU A 68 -0.508 6.909 3.788 1.00 73.32 N ATOM 1064 CA LEU A 68 -1.696 7.388 3.085 1.00 4.04 C ATOM 1065 C LEU A 68 -1.682 8.899 2.827 1.00 33.41 C ATOM 1066 O LEU A 68 -2.471 9.386 2.014 1.00 10.11 O ATOM 1067 CB LEU A 68 -2.957 7.050 3.893 1.00 12.13 C ATOM 1068 CG LEU A 68 -3.875 6.055 3.188 1.00 2.04 C ATOM 1069 CD1 LEU A 68 -4.984 5.632 4.157 1.00 75.25 C ATOM 1070 CD2 LEU A 68 -4.511 6.655 1.924 1.00 23.24 C ATOM 0 H LEU A 68 -0.660 6.744 4.783 1.00 73.32 H new ATOM 0 HA LEU A 68 -1.697 6.884 2.119 1.00 4.04 H new ATOM 0 HB2 LEU A 68 -2.662 6.641 4.859 1.00 12.13 H new ATOM 0 HB3 LEU A 68 -3.511 7.968 4.091 1.00 12.13 H new ATOM 0 HG LEU A 68 -3.275 5.197 2.884 1.00 2.04 H new ATOM 0 HD11 LEU A 68 -5.646 4.921 3.664 1.00 75.25 H new ATOM 0 HD12 LEU A 68 -4.540 5.165 5.036 1.00 75.25 H new ATOM 0 HD13 LEU A 68 -5.555 6.509 4.461 1.00 75.25 H new ATOM 0 HD21 LEU A 68 -5.156 5.913 1.454 1.00 23.24 H new ATOM 0 HD22 LEU A 68 -5.102 7.530 2.194 1.00 23.24 H new ATOM 0 HD23 LEU A 68 -3.727 6.948 1.226 1.00 23.24 H new ATOM 1082 N LYS A 69 -0.832 9.665 3.519 1.00 44.22 N ATOM 1083 CA LYS A 69 -0.713 11.123 3.420 1.00 63.03 C ATOM 1084 C LYS A 69 -0.418 11.529 1.970 1.00 51.52 C ATOM 1085 O LYS A 69 -0.832 12.615 1.552 1.00 63.31 O ATOM 1086 CB LYS A 69 0.347 11.568 4.458 1.00 51.51 C ATOM 1087 CG LYS A 69 0.345 13.015 4.955 1.00 52.12 C ATOM 1088 CD LYS A 69 0.839 14.059 3.951 1.00 11.15 C ATOM 1089 CE LYS A 69 -0.115 15.241 3.822 1.00 63.50 C ATOM 1090 NZ LYS A 69 -1.452 14.792 3.408 1.00 4.22 N ATOM 0 H LYS A 69 -0.179 9.267 4.194 1.00 44.22 H new ATOM 0 HA LYS A 69 -1.642 11.640 3.662 1.00 63.03 H new ATOM 0 HB2 LYS A 69 0.244 10.922 5.330 1.00 51.51 H new ATOM 0 HB3 LYS A 69 1.329 11.370 4.029 1.00 51.51 H new ATOM 0 HG2 LYS A 69 -0.670 13.276 5.254 1.00 52.12 H new ATOM 0 HG3 LYS A 69 0.966 13.074 5.849 1.00 52.12 H new ATOM 0 HD2 LYS A 69 1.820 14.420 4.260 1.00 11.15 H new ATOM 0 HD3 LYS A 69 0.965 13.589 2.975 1.00 11.15 H new ATOM 0 HE2 LYS A 69 -0.182 15.765 4.775 1.00 63.50 H new ATOM 0 HE3 LYS A 69 0.276 15.952 3.094 1.00 63.50 H new ATOM 0 HZ1 LYS A 69 -1.965 15.585 2.973 1.00 4.22 H new ATOM 0 HZ2 LYS A 69 -1.360 14.019 2.718 1.00 4.22 H new ATOM 0 HZ3 LYS A 69 -1.978 14.454 4.239 1.00 4.22 H new ATOM 1104 N LEU A 70 0.219 10.644 1.198 1.00 34.21 N ATOM 1105 CA LEU A 70 0.538 10.744 -0.209 1.00 42.41 C ATOM 1106 C LEU A 70 -0.746 10.989 -0.993 1.00 30.14 C ATOM 1107 O LEU A 70 -0.770 11.863 -1.845 1.00 11.21 O ATOM 1108 CB LEU A 70 1.256 9.473 -0.681 1.00 24.20 C ATOM 1109 CG LEU A 70 1.442 9.405 -2.216 1.00 15.41 C ATOM 1110 CD1 LEU A 70 2.300 10.553 -2.771 1.00 51.04 C ATOM 1111 CD2 LEU A 70 2.095 8.076 -2.587 1.00 33.32 C ATOM 0 H LEU A 70 0.550 9.762 1.589 1.00 34.21 H new ATOM 0 HA LEU A 70 1.214 11.581 -0.381 1.00 42.41 H new ATOM 0 HB2 LEU A 70 2.233 9.418 -0.201 1.00 24.20 H new ATOM 0 HB3 LEU A 70 0.690 8.602 -0.352 1.00 24.20 H new ATOM 0 HG LEU A 70 0.451 9.496 -2.660 1.00 15.41 H new ATOM 0 HD11 LEU A 70 2.393 10.448 -3.852 1.00 51.04 H new ATOM 0 HD12 LEU A 70 1.826 11.507 -2.538 1.00 51.04 H new ATOM 0 HD13 LEU A 70 3.290 10.519 -2.317 1.00 51.04 H new ATOM 0 HD21 LEU A 70 2.227 8.025 -3.668 1.00 33.32 H new ATOM 0 HD22 LEU A 70 3.066 7.999 -2.098 1.00 33.32 H new ATOM 0 HD23 LEU A 70 1.458 7.254 -2.260 1.00 33.32 H new ATOM 1123 N LYS A 71 -1.820 10.246 -0.711 1.00 73.24 N ATOM 1124 CA LYS A 71 -3.047 10.321 -1.502 1.00 34.32 C ATOM 1125 C LYS A 71 -3.692 11.705 -1.423 1.00 1.14 C ATOM 1126 O LYS A 71 -4.247 12.178 -2.401 1.00 70.13 O ATOM 1127 CB LYS A 71 -4.001 9.201 -1.055 1.00 71.22 C ATOM 1128 CG LYS A 71 -5.302 9.173 -1.869 1.00 10.21 C ATOM 1129 CD LYS A 71 -5.769 7.760 -2.223 1.00 23.43 C ATOM 1130 CE LYS A 71 -7.105 7.766 -2.974 1.00 70.25 C ATOM 1131 NZ LYS A 71 -8.201 8.380 -2.196 1.00 4.40 N ATOM 0 H LYS A 71 -1.862 9.583 0.063 1.00 73.24 H new ATOM 0 HA LYS A 71 -2.805 10.172 -2.554 1.00 34.32 H new ATOM 0 HB2 LYS A 71 -3.496 8.240 -1.150 1.00 71.22 H new ATOM 0 HB3 LYS A 71 -4.240 9.332 0.000 1.00 71.22 H new ATOM 0 HG2 LYS A 71 -6.086 9.675 -1.303 1.00 10.21 H new ATOM 0 HG3 LYS A 71 -5.159 9.741 -2.788 1.00 10.21 H new ATOM 0 HD2 LYS A 71 -5.011 7.271 -2.835 1.00 23.43 H new ATOM 0 HD3 LYS A 71 -5.869 7.172 -1.310 1.00 23.43 H new ATOM 0 HE2 LYS A 71 -6.986 8.307 -3.913 1.00 70.25 H new ATOM 0 HE3 LYS A 71 -7.377 6.742 -3.229 1.00 70.25 H new ATOM 0 HZ1 LYS A 71 -9.089 7.873 -2.387 1.00 4.40 H new ATOM 0 HZ2 LYS A 71 -7.981 8.322 -1.181 1.00 4.40 H new ATOM 0 HZ3 LYS A 71 -8.306 9.377 -2.471 1.00 4.40 H new ATOM 1145 N ASP A 72 -3.585 12.379 -0.285 1.00 11.32 N ATOM 1146 CA ASP A 72 -4.110 13.731 -0.086 1.00 0.43 C ATOM 1147 C ASP A 72 -3.322 14.779 -0.877 1.00 24.23 C ATOM 1148 O ASP A 72 -3.835 15.848 -1.211 1.00 63.32 O ATOM 1149 CB ASP A 72 -3.950 14.023 1.398 1.00 42.00 C ATOM 1150 CG ASP A 72 -4.445 15.382 1.894 1.00 13.51 C ATOM 1151 OD1 ASP A 72 -5.357 16.012 1.324 1.00 60.43 O ATOM 1152 OD2 ASP A 72 -3.840 15.861 2.881 1.00 33.52 O ATOM 0 H ASP A 72 -3.124 11.998 0.541 1.00 11.32 H new ATOM 0 HA ASP A 72 -5.144 13.781 -0.428 1.00 0.43 H new ATOM 0 HB2 ASP A 72 -4.475 13.247 1.955 1.00 42.00 H new ATOM 0 HB3 ASP A 72 -2.893 13.935 1.649 1.00 42.00 H new ATOM 1157 N THR A 73 -2.038 14.511 -1.126 1.00 34.10 N ATOM 1158 CA THR A 73 -1.146 15.426 -1.844 1.00 74.33 C ATOM 1159 C THR A 73 -1.050 15.068 -3.342 1.00 73.34 C ATOM 1160 O THR A 73 -0.837 15.974 -4.153 1.00 23.33 O ATOM 1161 CB THR A 73 0.195 15.563 -1.078 1.00 41.13 C ATOM 1162 OG1 THR A 73 1.003 16.632 -1.535 1.00 41.50 O ATOM 1163 CG2 THR A 73 1.065 14.308 -1.110 1.00 13.35 C ATOM 0 H THR A 73 -1.584 13.646 -0.833 1.00 34.10 H new ATOM 0 HA THR A 73 -1.564 16.433 -1.861 1.00 74.33 H new ATOM 0 HB THR A 73 -0.140 15.752 -0.058 1.00 41.13 H new ATOM 0 HG1 THR A 73 1.830 16.664 -1.011 1.00 41.50 H new ATOM 0 HG21 THR A 73 1.984 14.488 -0.551 1.00 13.35 H new ATOM 0 HG22 THR A 73 0.522 13.478 -0.658 1.00 13.35 H new ATOM 0 HG23 THR A 73 1.311 14.062 -2.143 1.00 13.35 H new ATOM 1171 N ASN A 74 -1.248 13.799 -3.721 1.00 1.22 N ATOM 1172 CA ASN A 74 -1.214 13.248 -5.075 1.00 43.23 C ATOM 1173 C ASN A 74 -1.970 11.908 -5.104 1.00 53.01 C ATOM 1174 O ASN A 74 -1.357 10.848 -4.922 1.00 62.21 O ATOM 1175 CB ASN A 74 0.227 13.052 -5.567 1.00 50.31 C ATOM 1176 CG ASN A 74 0.303 12.332 -6.918 1.00 3.33 C ATOM 1177 OD1 ASN A 74 -0.675 12.173 -7.646 1.00 50.12 O ATOM 1178 ND2 ASN A 74 1.483 11.872 -7.284 1.00 54.31 N ATOM 0 H ASN A 74 -1.452 13.076 -3.031 1.00 1.22 H new ATOM 0 HA ASN A 74 -1.698 13.958 -5.745 1.00 43.23 H new ATOM 0 HB2 ASN A 74 0.712 14.024 -5.651 1.00 50.31 H new ATOM 0 HB3 ASN A 74 0.785 12.481 -4.825 1.00 50.31 H new ATOM 0 HD21 ASN A 74 1.586 11.383 -8.173 1.00 54.31 H new ATOM 0 HD22 ASN A 74 2.293 12.005 -6.678 1.00 54.31 H new ATOM 1185 N PRO A 75 -3.299 11.913 -5.290 1.00 55.15 N ATOM 1186 CA PRO A 75 -4.086 10.687 -5.266 1.00 73.11 C ATOM 1187 C PRO A 75 -3.747 9.735 -6.412 1.00 31.53 C ATOM 1188 O PRO A 75 -3.746 8.526 -6.202 1.00 62.45 O ATOM 1189 CB PRO A 75 -5.557 11.130 -5.285 1.00 3.43 C ATOM 1190 CG PRO A 75 -5.506 12.529 -5.895 1.00 73.25 C ATOM 1191 CD PRO A 75 -4.163 13.076 -5.426 1.00 44.14 C ATOM 0 HA PRO A 75 -3.862 10.105 -4.372 1.00 73.11 H new ATOM 0 HB2 PRO A 75 -6.171 10.455 -5.882 1.00 3.43 H new ATOM 0 HB3 PRO A 75 -5.983 11.146 -4.282 1.00 3.43 H new ATOM 0 HG2 PRO A 75 -5.567 12.495 -6.983 1.00 73.25 H new ATOM 0 HG3 PRO A 75 -6.334 13.148 -5.549 1.00 73.25 H new ATOM 0 HD2 PRO A 75 -3.755 13.787 -6.145 1.00 44.14 H new ATOM 0 HD3 PRO A 75 -4.263 13.604 -4.478 1.00 44.14 H new ATOM 1199 N GLU A 76 -3.432 10.252 -7.600 1.00 62.12 N ATOM 1200 CA GLU A 76 -3.110 9.469 -8.795 1.00 11.14 C ATOM 1201 C GLU A 76 -1.934 8.526 -8.538 1.00 70.44 C ATOM 1202 O GLU A 76 -1.974 7.347 -8.897 1.00 44.43 O ATOM 1203 CB GLU A 76 -2.770 10.471 -9.909 1.00 63.34 C ATOM 1204 CG GLU A 76 -2.531 9.798 -11.267 1.00 73.34 C ATOM 1205 CD GLU A 76 -2.340 10.778 -12.434 1.00 42.45 C ATOM 1206 OE1 GLU A 76 -2.105 11.990 -12.232 1.00 55.35 O ATOM 1207 OE2 GLU A 76 -2.431 10.301 -13.598 1.00 23.32 O ATOM 0 H GLU A 76 -3.392 11.258 -7.763 1.00 62.12 H new ATOM 0 HA GLU A 76 -3.956 8.843 -9.079 1.00 11.14 H new ATOM 0 HB2 GLU A 76 -3.583 11.190 -10.004 1.00 63.34 H new ATOM 0 HB3 GLU A 76 -1.880 11.032 -9.626 1.00 63.34 H new ATOM 0 HG2 GLU A 76 -1.649 9.162 -11.194 1.00 73.34 H new ATOM 0 HG3 GLU A 76 -3.376 9.146 -11.490 1.00 73.34 H new ATOM 1214 N GLY A 77 -0.896 9.049 -7.887 1.00 72.04 N ATOM 1215 CA GLY A 77 0.257 8.266 -7.472 1.00 3.12 C ATOM 1216 C GLY A 77 -0.163 7.091 -6.587 1.00 45.33 C ATOM 1217 O GLY A 77 0.137 5.934 -6.880 1.00 25.22 O ATOM 0 H GLY A 77 -0.835 10.035 -7.633 1.00 72.04 H new ATOM 0 HA2 GLY A 77 0.782 7.893 -8.351 1.00 3.12 H new ATOM 0 HA3 GLY A 77 0.956 8.902 -6.929 1.00 3.12 H new ATOM 1221 N PHE A 78 -0.891 7.378 -5.508 1.00 13.33 N ATOM 1222 CA PHE A 78 -1.319 6.343 -4.573 1.00 65.32 C ATOM 1223 C PHE A 78 -2.220 5.306 -5.248 1.00 14.33 C ATOM 1224 O PHE A 78 -2.118 4.113 -4.948 1.00 32.20 O ATOM 1225 CB PHE A 78 -2.011 7.009 -3.378 1.00 23.24 C ATOM 1226 CG PHE A 78 -2.395 6.058 -2.258 1.00 22.11 C ATOM 1227 CD1 PHE A 78 -3.543 5.249 -2.370 1.00 33.51 C ATOM 1228 CD2 PHE A 78 -1.601 5.977 -1.098 1.00 64.51 C ATOM 1229 CE1 PHE A 78 -3.895 4.371 -1.334 1.00 72.41 C ATOM 1230 CE2 PHE A 78 -1.945 5.085 -0.070 1.00 25.33 C ATOM 1231 CZ PHE A 78 -3.088 4.278 -0.188 1.00 72.43 C ATOM 0 H PHE A 78 -1.196 8.320 -5.262 1.00 13.33 H new ATOM 0 HA PHE A 78 -0.445 5.797 -4.219 1.00 65.32 H new ATOM 0 HB2 PHE A 78 -1.351 7.777 -2.974 1.00 23.24 H new ATOM 0 HB3 PHE A 78 -2.910 7.515 -3.731 1.00 23.24 H new ATOM 0 HD1 PHE A 78 -4.155 5.305 -3.258 1.00 33.51 H new ATOM 0 HD2 PHE A 78 -0.726 6.602 -0.999 1.00 64.51 H new ATOM 0 HE1 PHE A 78 -4.786 3.767 -1.418 1.00 72.41 H new ATOM 0 HE2 PHE A 78 -1.329 5.019 0.814 1.00 25.33 H new ATOM 0 HZ PHE A 78 -3.346 3.587 0.601 1.00 72.43 H new ATOM 1241 N ASN A 79 -3.105 5.760 -6.134 1.00 33.04 N ATOM 1242 CA ASN A 79 -4.029 4.933 -6.898 1.00 40.40 C ATOM 1243 C ASN A 79 -3.238 3.920 -7.724 1.00 0.21 C ATOM 1244 O ASN A 79 -3.452 2.717 -7.587 1.00 15.52 O ATOM 1245 CB ASN A 79 -4.916 5.826 -7.781 1.00 40.35 C ATOM 1246 CG ASN A 79 -5.994 6.593 -7.020 1.00 60.43 C ATOM 1247 OD1 ASN A 79 -6.349 6.277 -5.883 1.00 12.42 O ATOM 1248 ND2 ASN A 79 -6.550 7.620 -7.639 1.00 55.30 N ATOM 0 H ASN A 79 -3.199 6.753 -6.345 1.00 33.04 H new ATOM 0 HA ASN A 79 -4.684 4.380 -6.225 1.00 40.40 H new ATOM 0 HB2 ASN A 79 -4.282 6.540 -8.307 1.00 40.35 H new ATOM 0 HB3 ASN A 79 -5.395 5.206 -8.539 1.00 40.35 H new ATOM 0 HD21 ASN A 79 -7.281 8.160 -7.176 1.00 55.30 H new ATOM 0 HD22 ASN A 79 -6.248 7.873 -8.580 1.00 55.30 H new ATOM 1255 N GLN A 80 -2.252 4.370 -8.509 1.00 31.45 N ATOM 1256 CA GLN A 80 -1.392 3.464 -9.267 1.00 42.22 C ATOM 1257 C GLN A 80 -0.740 2.400 -8.385 1.00 52.43 C ATOM 1258 O GLN A 80 -0.599 1.247 -8.806 1.00 41.34 O ATOM 1259 CB GLN A 80 -0.267 4.246 -9.943 1.00 24.44 C ATOM 1260 CG GLN A 80 -0.658 4.861 -11.276 1.00 4.04 C ATOM 1261 CD GLN A 80 0.602 5.327 -11.989 1.00 45.51 C ATOM 1262 OE1 GLN A 80 1.516 4.548 -12.253 1.00 63.43 O ATOM 1263 NE2 GLN A 80 0.688 6.593 -12.333 1.00 4.13 N ATOM 0 H GLN A 80 -2.033 5.358 -8.634 1.00 31.45 H new ATOM 0 HA GLN A 80 -2.036 2.976 -9.999 1.00 42.22 H new ATOM 0 HB2 GLN A 80 0.065 5.038 -9.272 1.00 24.44 H new ATOM 0 HB3 GLN A 80 0.583 3.581 -10.096 1.00 24.44 H new ATOM 0 HG2 GLN A 80 -1.189 4.131 -11.887 1.00 4.04 H new ATOM 0 HG3 GLN A 80 -1.336 5.700 -11.120 1.00 4.04 H new ATOM 0 HE21 GLN A 80 -0.073 7.235 -12.111 1.00 4.13 H new ATOM 0 HE22 GLN A 80 1.516 6.934 -12.822 1.00 4.13 H new ATOM 1272 N LEU A 81 -0.294 2.784 -7.189 1.00 5.43 N ATOM 1273 CA LEU A 81 0.428 1.873 -6.313 1.00 63.21 C ATOM 1274 C LEU A 81 -0.453 0.706 -5.885 1.00 12.02 C ATOM 1275 O LEU A 81 0.036 -0.420 -5.772 1.00 22.40 O ATOM 1276 CB LEU A 81 0.941 2.624 -5.076 1.00 41.40 C ATOM 1277 CG LEU A 81 2.398 2.246 -4.746 1.00 33.12 C ATOM 1278 CD1 LEU A 81 3.309 3.432 -4.453 1.00 62.10 C ATOM 1279 CD2 LEU A 81 2.467 1.273 -3.569 1.00 64.11 C ATOM 0 H LEU A 81 -0.422 3.721 -6.808 1.00 5.43 H new ATOM 0 HA LEU A 81 1.276 1.473 -6.869 1.00 63.21 H new ATOM 0 HB2 LEU A 81 0.873 3.698 -5.248 1.00 41.40 H new ATOM 0 HB3 LEU A 81 0.303 2.397 -4.222 1.00 41.40 H new ATOM 0 HG LEU A 81 2.767 1.775 -5.657 1.00 33.12 H new ATOM 0 HD11 LEU A 81 4.314 3.073 -4.231 1.00 62.10 H new ATOM 0 HD12 LEU A 81 3.342 4.089 -5.322 1.00 62.10 H new ATOM 0 HD13 LEU A 81 2.924 3.984 -3.596 1.00 62.10 H new ATOM 0 HD21 LEU A 81 3.508 1.026 -3.362 1.00 64.11 H new ATOM 0 HD22 LEU A 81 2.021 1.735 -2.688 1.00 64.11 H new ATOM 0 HD23 LEU A 81 1.921 0.363 -3.817 1.00 64.11 H new ATOM 1291 N MET A 82 -1.739 0.981 -5.654 1.00 34.52 N ATOM 1292 CA MET A 82 -2.721 -0.048 -5.334 1.00 15.40 C ATOM 1293 C MET A 82 -2.876 -1.014 -6.511 1.00 64.12 C ATOM 1294 O MET A 82 -2.927 -2.234 -6.321 1.00 52.40 O ATOM 1295 CB MET A 82 -4.089 0.569 -4.999 1.00 2.45 C ATOM 1296 CG MET A 82 -4.062 1.149 -3.590 1.00 74.53 C ATOM 1297 SD MET A 82 -3.849 -0.136 -2.335 1.00 10.50 S ATOM 1298 CE MET A 82 -3.485 0.941 -0.952 1.00 4.11 C ATOM 0 H MET A 82 -2.125 1.925 -5.684 1.00 34.52 H new ATOM 0 HA MET A 82 -2.361 -0.588 -4.459 1.00 15.40 H new ATOM 0 HB2 MET A 82 -4.332 1.350 -5.719 1.00 2.45 H new ATOM 0 HB3 MET A 82 -4.869 -0.189 -5.075 1.00 2.45 H new ATOM 0 HG2 MET A 82 -3.250 1.872 -3.511 1.00 74.53 H new ATOM 0 HG3 MET A 82 -4.990 1.690 -3.402 1.00 74.53 H new ATOM 0 HE1 MET A 82 -3.387 0.346 -0.044 1.00 4.11 H new ATOM 0 HE2 MET A 82 -2.552 1.472 -1.140 1.00 4.11 H new ATOM 0 HE3 MET A 82 -4.294 1.661 -0.829 1.00 4.11 H new ATOM 1308 N HIS A 83 -2.925 -0.474 -7.733 1.00 12.13 N ATOM 1309 CA HIS A 83 -3.104 -1.266 -8.938 1.00 24.42 C ATOM 1310 C HIS A 83 -1.976 -2.289 -9.083 1.00 53.00 C ATOM 1311 O HIS A 83 -2.254 -3.467 -9.282 1.00 74.43 O ATOM 1312 CB HIS A 83 -3.197 -0.357 -10.174 1.00 70.33 C ATOM 1313 CG HIS A 83 -3.754 -1.033 -11.405 1.00 51.24 C ATOM 1314 ND1 HIS A 83 -3.607 -0.599 -12.705 1.00 3.30 N ATOM 1315 CD2 HIS A 83 -4.545 -2.148 -11.434 1.00 74.42 C ATOM 1316 CE1 HIS A 83 -4.306 -1.432 -13.497 1.00 24.10 C ATOM 1317 NE2 HIS A 83 -4.911 -2.381 -12.762 1.00 3.42 N ATOM 0 H HIS A 83 -2.841 0.528 -7.907 1.00 12.13 H new ATOM 0 HA HIS A 83 -4.042 -1.815 -8.856 1.00 24.42 H new ATOM 0 HB2 HIS A 83 -3.822 0.502 -9.932 1.00 70.33 H new ATOM 0 HB3 HIS A 83 -2.203 0.027 -10.403 1.00 70.33 H new ATOM 0 HD2 HIS A 83 -4.835 -2.743 -10.581 1.00 74.42 H new ATOM 0 HE1 HIS A 83 -4.372 -1.350 -14.572 1.00 24.10 H new ATOM 0 HE2 HIS A 83 -5.518 -3.125 -13.106 1.00 3.42 H new ATOM 1325 N PHE A 84 -0.714 -1.862 -8.945 1.00 50.34 N ATOM 1326 CA PHE A 84 0.445 -2.737 -9.124 1.00 22.04 C ATOM 1327 C PHE A 84 0.408 -3.936 -8.170 1.00 62.24 C ATOM 1328 O PHE A 84 0.714 -5.057 -8.585 1.00 5.44 O ATOM 1329 CB PHE A 84 1.745 -1.941 -8.945 1.00 32.42 C ATOM 1330 CG PHE A 84 3.006 -2.797 -9.010 1.00 52.22 C ATOM 1331 CD1 PHE A 84 3.464 -3.482 -7.865 1.00 1.52 C ATOM 1332 CD2 PHE A 84 3.735 -2.904 -10.211 1.00 75.03 C ATOM 1333 CE1 PHE A 84 4.632 -4.261 -7.916 1.00 14.40 C ATOM 1334 CE2 PHE A 84 4.914 -3.673 -10.257 1.00 52.42 C ATOM 1335 CZ PHE A 84 5.362 -4.354 -9.111 1.00 71.25 C ATOM 0 H PHE A 84 -0.471 -0.901 -8.706 1.00 50.34 H new ATOM 0 HA PHE A 84 0.409 -3.131 -10.140 1.00 22.04 H new ATOM 0 HB2 PHE A 84 1.799 -1.173 -9.716 1.00 32.42 H new ATOM 0 HB3 PHE A 84 1.716 -1.427 -7.984 1.00 32.42 H new ATOM 0 HD1 PHE A 84 2.911 -3.407 -6.940 1.00 1.52 H new ATOM 0 HD2 PHE A 84 3.389 -2.395 -11.098 1.00 75.03 H new ATOM 0 HE1 PHE A 84 4.968 -4.788 -7.035 1.00 14.40 H new ATOM 0 HE2 PHE A 84 5.477 -3.740 -11.176 1.00 52.42 H new ATOM 0 HZ PHE A 84 6.264 -4.946 -9.150 1.00 71.25 H new ATOM 1345 N ALA A 85 0.054 -3.707 -6.903 1.00 32.35 N ATOM 1346 CA ALA A 85 -0.099 -4.754 -5.899 1.00 40.31 C ATOM 1347 C ALA A 85 -1.065 -5.810 -6.431 1.00 44.25 C ATOM 1348 O ALA A 85 -0.696 -6.978 -6.604 1.00 11.13 O ATOM 1349 CB ALA A 85 -0.612 -4.108 -4.605 1.00 22.34 C ATOM 0 H ALA A 85 -0.137 -2.772 -6.543 1.00 32.35 H new ATOM 0 HA ALA A 85 0.850 -5.246 -5.686 1.00 40.31 H new ATOM 0 HB1 ALA A 85 -0.734 -4.874 -3.839 1.00 22.34 H new ATOM 0 HB2 ALA A 85 0.105 -3.362 -4.261 1.00 22.34 H new ATOM 0 HB3 ALA A 85 -1.572 -3.628 -4.794 1.00 22.34 H new ATOM 1355 N THR A 86 -2.282 -5.356 -6.727 1.00 10.40 N ATOM 1356 CA THR A 86 -3.386 -6.177 -7.179 1.00 61.21 C ATOM 1357 C THR A 86 -2.981 -6.951 -8.442 1.00 71.10 C ATOM 1358 O THR A 86 -3.213 -8.156 -8.527 1.00 51.11 O ATOM 1359 CB THR A 86 -4.625 -5.281 -7.385 1.00 61.31 C ATOM 1360 OG1 THR A 86 -4.793 -4.340 -6.328 1.00 44.34 O ATOM 1361 CG2 THR A 86 -5.897 -6.125 -7.411 1.00 21.44 C ATOM 0 H THR A 86 -2.527 -4.369 -6.653 1.00 10.40 H new ATOM 0 HA THR A 86 -3.645 -6.926 -6.430 1.00 61.21 H new ATOM 0 HB THR A 86 -4.462 -4.761 -8.329 1.00 61.31 H new ATOM 0 HG1 THR A 86 -4.215 -3.565 -6.485 1.00 44.34 H new ATOM 0 HG21 THR A 86 -6.761 -5.477 -7.557 1.00 21.44 H new ATOM 0 HG22 THR A 86 -5.840 -6.844 -8.229 1.00 21.44 H new ATOM 0 HG23 THR A 86 -5.999 -6.658 -6.466 1.00 21.44 H new ATOM 1369 N GLU A 87 -2.306 -6.303 -9.392 1.00 61.24 N ATOM 1370 CA GLU A 87 -1.896 -6.903 -10.649 1.00 22.02 C ATOM 1371 C GLU A 87 -0.947 -8.079 -10.454 1.00 31.02 C ATOM 1372 O GLU A 87 -1.058 -9.093 -11.140 1.00 10.24 O ATOM 1373 CB GLU A 87 -1.248 -5.826 -11.528 1.00 23.23 C ATOM 1374 CG GLU A 87 -2.292 -4.995 -12.280 1.00 34.44 C ATOM 1375 CD GLU A 87 -2.851 -5.716 -13.513 1.00 64.31 C ATOM 1376 OE1 GLU A 87 -3.055 -6.951 -13.492 1.00 14.23 O ATOM 1377 OE2 GLU A 87 -3.093 -5.028 -14.528 1.00 73.41 O ATOM 0 H GLU A 87 -2.026 -5.326 -9.301 1.00 61.24 H new ATOM 0 HA GLU A 87 -2.784 -7.303 -11.139 1.00 22.02 H new ATOM 0 HB2 GLU A 87 -0.640 -5.168 -10.907 1.00 23.23 H new ATOM 0 HB3 GLU A 87 -0.576 -6.299 -12.244 1.00 23.23 H new ATOM 0 HG2 GLU A 87 -3.112 -4.752 -11.604 1.00 34.44 H new ATOM 0 HG3 GLU A 87 -1.844 -4.051 -12.589 1.00 34.44 H new ATOM 1384 N ASN A 88 -0.016 -7.973 -9.508 1.00 33.24 N ATOM 1385 CA ASN A 88 0.922 -9.055 -9.212 1.00 44.44 C ATOM 1386 C ASN A 88 0.303 -10.089 -8.252 1.00 72.24 C ATOM 1387 O ASN A 88 1.003 -10.981 -7.774 1.00 71.44 O ATOM 1388 CB ASN A 88 2.244 -8.460 -8.704 1.00 74.13 C ATOM 1389 CG ASN A 88 2.976 -7.695 -9.805 1.00 34.12 C ATOM 1390 OD1 ASN A 88 3.671 -8.270 -10.639 1.00 33.54 O ATOM 1391 ND2 ASN A 88 2.826 -6.382 -9.867 1.00 33.21 N ATOM 0 H ASN A 88 0.110 -7.142 -8.929 1.00 33.24 H new ATOM 0 HA ASN A 88 1.144 -9.609 -10.124 1.00 44.44 H new ATOM 0 HB2 ASN A 88 2.045 -7.792 -7.866 1.00 74.13 H new ATOM 0 HB3 ASN A 88 2.883 -9.259 -8.329 1.00 74.13 H new ATOM 0 HD21 ASN A 88 3.287 -5.850 -10.606 1.00 33.21 H new ATOM 0 HD22 ASN A 88 2.250 -5.901 -9.176 1.00 33.21 H new ATOM 1398 N GLN A 89 -1.006 -9.974 -7.966 1.00 42.23 N ATOM 1399 CA GLN A 89 -1.774 -10.723 -6.970 1.00 34.22 C ATOM 1400 C GLN A 89 -1.040 -10.819 -5.636 1.00 54.55 C ATOM 1401 O GLN A 89 -1.065 -11.867 -4.978 1.00 74.44 O ATOM 1402 CB GLN A 89 -2.188 -12.110 -7.473 1.00 33.53 C ATOM 1403 CG GLN A 89 -2.944 -12.162 -8.804 1.00 34.32 C ATOM 1404 CD GLN A 89 -4.417 -11.751 -8.680 1.00 22.44 C ATOM 1405 OE1 GLN A 89 -5.295 -12.591 -8.483 1.00 30.44 O ATOM 1406 NE2 GLN A 89 -4.740 -10.481 -8.802 1.00 72.42 N ATOM 0 H GLN A 89 -1.593 -9.305 -8.464 1.00 42.23 H new ATOM 0 HA GLN A 89 -2.689 -10.155 -6.803 1.00 34.22 H new ATOM 0 HB2 GLN A 89 -1.289 -12.720 -7.568 1.00 33.53 H new ATOM 0 HB3 GLN A 89 -2.811 -12.577 -6.710 1.00 33.53 H new ATOM 0 HG2 GLN A 89 -2.450 -11.506 -9.521 1.00 34.32 H new ATOM 0 HG3 GLN A 89 -2.889 -13.173 -9.206 1.00 34.32 H new ATOM 0 HE21 GLN A 89 -4.014 -9.784 -8.965 1.00 72.42 H new ATOM 0 HE22 GLN A 89 -5.716 -10.194 -8.733 1.00 72.42 H new ATOM 1415 N LEU A 90 -0.356 -9.744 -5.259 1.00 12.24 N ATOM 1416 CA LEU A 90 0.306 -9.624 -3.977 1.00 13.13 C ATOM 1417 C LEU A 90 -0.772 -9.577 -2.884 1.00 2.12 C ATOM 1418 O LEU A 90 -1.962 -9.457 -3.194 1.00 63.42 O ATOM 1419 CB LEU A 90 1.267 -8.426 -4.011 1.00 21.13 C ATOM 1420 CG LEU A 90 2.473 -8.655 -4.948 1.00 10.01 C ATOM 1421 CD1 LEU A 90 3.245 -7.346 -5.185 1.00 23.44 C ATOM 1422 CD2 LEU A 90 3.435 -9.705 -4.398 1.00 11.02 C ATOM 0 H LEU A 90 -0.248 -8.920 -5.851 1.00 12.24 H new ATOM 0 HA LEU A 90 0.936 -10.483 -3.746 1.00 13.13 H new ATOM 0 HB2 LEU A 90 0.723 -7.539 -4.336 1.00 21.13 H new ATOM 0 HB3 LEU A 90 1.629 -8.227 -3.002 1.00 21.13 H new ATOM 0 HG LEU A 90 2.065 -9.017 -5.892 1.00 10.01 H new ATOM 0 HD11 LEU A 90 4.089 -7.536 -5.848 1.00 23.44 H new ATOM 0 HD12 LEU A 90 2.583 -6.611 -5.642 1.00 23.44 H new ATOM 0 HD13 LEU A 90 3.611 -6.962 -4.233 1.00 23.44 H new ATOM 0 HD21 LEU A 90 4.268 -9.833 -5.090 1.00 11.02 H new ATOM 0 HD22 LEU A 90 3.815 -9.379 -3.430 1.00 11.02 H new ATOM 0 HD23 LEU A 90 2.911 -10.653 -4.282 1.00 11.02 H new ATOM 1434 N ASN A 91 -0.393 -9.688 -1.617 1.00 42.40 N ATOM 1435 CA ASN A 91 -1.319 -9.618 -0.490 1.00 22.21 C ATOM 1436 C ASN A 91 -1.250 -8.212 0.094 1.00 60.32 C ATOM 1437 O ASN A 91 -0.221 -7.844 0.648 1.00 1.23 O ATOM 1438 CB ASN A 91 -0.900 -10.644 0.562 1.00 61.04 C ATOM 1439 CG ASN A 91 -1.921 -10.832 1.670 1.00 12.23 C ATOM 1440 OD1 ASN A 91 -3.062 -10.385 1.594 1.00 60.03 O ATOM 1441 ND2 ASN A 91 -1.523 -11.537 2.710 1.00 72.42 N ATOM 0 H ASN A 91 0.578 -9.831 -1.338 1.00 42.40 H new ATOM 0 HA ASN A 91 -2.338 -9.835 -0.810 1.00 22.21 H new ATOM 0 HB2 ASN A 91 -0.726 -11.603 0.073 1.00 61.04 H new ATOM 0 HB3 ASN A 91 0.048 -10.334 1.002 1.00 61.04 H new ATOM 0 HD21 ASN A 91 -2.169 -11.723 3.477 1.00 72.42 H new ATOM 0 HD22 ASN A 91 -0.569 -11.897 2.748 1.00 72.42 H new ATOM 1448 N ILE A 92 -2.279 -7.388 -0.057 1.00 72.21 N ATOM 1449 CA ILE A 92 -2.276 -6.069 0.575 1.00 71.45 C ATOM 1450 C ILE A 92 -2.699 -6.281 2.021 1.00 31.53 C ATOM 1451 O ILE A 92 -3.777 -6.841 2.258 1.00 0.41 O ATOM 1452 CB ILE A 92 -3.190 -5.047 -0.120 1.00 54.32 C ATOM 1453 CG1 ILE A 92 -2.955 -5.014 -1.638 1.00 43.14 C ATOM 1454 CG2 ILE A 92 -2.917 -3.668 0.513 1.00 44.42 C ATOM 1455 CD1 ILE A 92 -3.834 -4.086 -2.478 1.00 62.24 C ATOM 0 H ILE A 92 -3.115 -7.601 -0.601 1.00 72.21 H new ATOM 0 HA ILE A 92 -1.277 -5.639 0.499 1.00 71.45 H new ATOM 0 HB ILE A 92 -4.233 -5.330 0.021 1.00 54.32 H new ATOM 0 HG12 ILE A 92 -1.915 -4.736 -1.809 1.00 43.14 H new ATOM 0 HG13 ILE A 92 -3.080 -6.028 -2.018 1.00 43.14 H new ATOM 0 HG21 ILE A 92 -3.552 -2.919 0.040 1.00 44.42 H new ATOM 0 HG22 ILE A 92 -3.136 -3.708 1.580 1.00 44.42 H new ATOM 0 HG23 ILE A 92 -1.870 -3.401 0.367 1.00 44.42 H new ATOM 0 HD11 ILE A 92 -3.553 -4.170 -3.528 1.00 62.24 H new ATOM 0 HD12 ILE A 92 -4.880 -4.369 -2.359 1.00 62.24 H new ATOM 0 HD13 ILE A 92 -3.697 -3.057 -2.147 1.00 62.24 H new ATOM 1467 N LEU A 93 -1.866 -5.839 2.957 1.00 40.24 N ATOM 1468 CA LEU A 93 -2.188 -5.689 4.363 1.00 25.05 C ATOM 1469 C LEU A 93 -2.469 -4.214 4.629 1.00 62.33 C ATOM 1470 O LEU A 93 -2.038 -3.335 3.881 1.00 64.12 O ATOM 1471 CB LEU A 93 -1.002 -6.148 5.227 1.00 45.11 C ATOM 1472 CG LEU A 93 -0.912 -7.654 5.521 1.00 65.20 C ATOM 1473 CD1 LEU A 93 -1.117 -8.578 4.323 1.00 45.32 C ATOM 1474 CD2 LEU A 93 0.461 -7.931 6.133 1.00 21.01 C ATOM 0 H LEU A 93 -0.907 -5.565 2.742 1.00 40.24 H new ATOM 0 HA LEU A 93 -3.058 -6.297 4.614 1.00 25.05 H new ATOM 0 HB2 LEU A 93 -0.080 -5.841 4.733 1.00 45.11 H new ATOM 0 HB3 LEU A 93 -1.046 -5.617 6.178 1.00 45.11 H new ATOM 0 HG LEU A 93 -1.738 -7.880 6.195 1.00 65.20 H new ATOM 0 HD11 LEU A 93 -1.032 -9.616 4.645 1.00 45.32 H new ATOM 0 HD12 LEU A 93 -2.107 -8.409 3.899 1.00 45.32 H new ATOM 0 HD13 LEU A 93 -0.358 -8.369 3.569 1.00 45.32 H new ATOM 0 HD21 LEU A 93 0.554 -8.995 6.353 1.00 21.01 H new ATOM 0 HD22 LEU A 93 1.239 -7.637 5.429 1.00 21.01 H new ATOM 0 HD23 LEU A 93 0.571 -7.359 7.055 1.00 21.01 H new ATOM 1486 N ASP A 94 -3.151 -3.959 5.735 1.00 40.33 N ATOM 1487 CA ASP A 94 -3.349 -2.631 6.310 1.00 14.52 C ATOM 1488 C ASP A 94 -2.309 -2.443 7.411 1.00 13.21 C ATOM 1489 O ASP A 94 -1.418 -3.278 7.610 1.00 15.14 O ATOM 1490 CB ASP A 94 -4.757 -2.527 6.904 1.00 61.44 C ATOM 1491 CG ASP A 94 -5.460 -1.182 6.888 1.00 63.14 C ATOM 1492 OD1 ASP A 94 -4.799 -0.144 6.721 1.00 3.03 O ATOM 1493 OD2 ASP A 94 -6.694 -1.195 7.111 1.00 53.34 O ATOM 0 H ASP A 94 -3.599 -4.696 6.279 1.00 40.33 H new ATOM 0 HA ASP A 94 -3.240 -1.863 5.545 1.00 14.52 H new ATOM 0 HB2 ASP A 94 -5.392 -3.237 6.375 1.00 61.44 H new ATOM 0 HB3 ASP A 94 -4.703 -2.859 7.941 1.00 61.44 H new ATOM 1498 N ALA A 95 -2.454 -1.366 8.174 1.00 62.22 N ATOM 1499 CA ALA A 95 -1.459 -0.995 9.185 1.00 55.51 C ATOM 1500 C ALA A 95 -1.308 -2.033 10.300 1.00 71.44 C ATOM 1501 O ALA A 95 -0.204 -2.196 10.829 1.00 2.34 O ATOM 1502 CB ALA A 95 -1.779 0.352 9.826 1.00 24.01 C ATOM 0 H ALA A 95 -3.250 -0.731 8.115 1.00 62.22 H new ATOM 0 HA ALA A 95 -0.518 -0.938 8.638 1.00 55.51 H new ATOM 0 HB1 ALA A 95 -1.019 0.591 10.569 1.00 24.01 H new ATOM 0 HB2 ALA A 95 -1.792 1.126 9.059 1.00 24.01 H new ATOM 0 HB3 ALA A 95 -2.755 0.303 10.309 1.00 24.01 H new ATOM 1508 N GLU A 96 -2.386 -2.711 10.712 1.00 42.20 N ATOM 1509 CA GLU A 96 -2.284 -3.743 11.742 1.00 31.44 C ATOM 1510 C GLU A 96 -1.629 -5.009 11.203 1.00 34.31 C ATOM 1511 O GLU A 96 -1.047 -5.761 11.988 1.00 51.05 O ATOM 1512 CB GLU A 96 -3.649 -4.086 12.354 1.00 30.42 C ATOM 1513 CG GLU A 96 -3.904 -3.300 13.625 1.00 12.25 C ATOM 1514 CD GLU A 96 -5.120 -3.868 14.359 1.00 71.22 C ATOM 1515 OE1 GLU A 96 -5.081 -5.045 14.773 1.00 53.31 O ATOM 1516 OE2 GLU A 96 -6.157 -3.168 14.453 1.00 14.44 O ATOM 0 H GLU A 96 -3.328 -2.563 10.350 1.00 42.20 H new ATOM 0 HA GLU A 96 -1.653 -3.328 12.528 1.00 31.44 H new ATOM 0 HB2 GLU A 96 -4.436 -3.874 11.630 1.00 30.42 H new ATOM 0 HB3 GLU A 96 -3.694 -5.153 12.570 1.00 30.42 H new ATOM 0 HG2 GLU A 96 -3.027 -3.343 14.271 1.00 12.25 H new ATOM 0 HG3 GLU A 96 -4.072 -2.250 13.385 1.00 12.25 H new ATOM 1523 N GLY A 97 -1.697 -5.233 9.891 1.00 30.43 N ATOM 1524 CA GLY A 97 -1.205 -6.449 9.266 1.00 51.23 C ATOM 1525 C GLY A 97 -2.295 -7.489 9.030 1.00 52.03 C ATOM 1526 O GLY A 97 -1.997 -8.681 8.954 1.00 4.21 O ATOM 0 H GLY A 97 -2.099 -4.567 9.231 1.00 30.43 H new ATOM 0 HA2 GLY A 97 -0.740 -6.197 8.313 1.00 51.23 H new ATOM 0 HA3 GLY A 97 -0.428 -6.884 9.895 1.00 51.23 H new ATOM 1530 N ASN A 98 -3.553 -7.059 8.947 1.00 55.21 N ATOM 1531 CA ASN A 98 -4.661 -7.859 8.443 1.00 74.21 C ATOM 1532 C ASN A 98 -4.744 -7.600 6.935 1.00 24.05 C ATOM 1533 O ASN A 98 -4.591 -6.454 6.511 1.00 21.32 O ATOM 1534 CB ASN A 98 -5.976 -7.439 9.129 1.00 3.35 C ATOM 1535 CG ASN A 98 -5.919 -7.533 10.651 1.00 13.32 C ATOM 1536 OD1 ASN A 98 -5.651 -8.605 11.190 1.00 43.54 O ATOM 1537 ND2 ASN A 98 -6.176 -6.466 11.393 1.00 3.03 N ATOM 0 H ASN A 98 -3.834 -6.122 9.236 1.00 55.21 H new ATOM 0 HA ASN A 98 -4.504 -8.918 8.649 1.00 74.21 H new ATOM 0 HB2 ASN A 98 -6.215 -6.415 8.844 1.00 3.35 H new ATOM 0 HB3 ASN A 98 -6.786 -8.070 8.763 1.00 3.35 H new ATOM 0 HD21 ASN A 98 -6.151 -6.534 12.410 1.00 3.03 H new ATOM 0 HD22 ASN A 98 -6.398 -5.576 10.947 1.00 3.03 H new ATOM 1544 N SER A 99 -4.983 -8.629 6.122 1.00 22.22 N ATOM 1545 CA SER A 99 -5.187 -8.500 4.680 1.00 70.11 C ATOM 1546 C SER A 99 -6.467 -7.701 4.394 1.00 73.42 C ATOM 1547 O SER A 99 -7.486 -7.983 5.031 1.00 45.34 O ATOM 1548 CB SER A 99 -5.249 -9.901 4.056 1.00 52.22 C ATOM 1549 OG SER A 99 -6.100 -10.759 4.801 1.00 1.21 O ATOM 0 H SER A 99 -5.041 -9.592 6.453 1.00 22.22 H new ATOM 0 HA SER A 99 -4.355 -7.955 4.234 1.00 70.11 H new ATOM 0 HB2 SER A 99 -5.609 -9.829 3.030 1.00 52.22 H new ATOM 0 HB3 SER A 99 -4.247 -10.327 4.013 1.00 52.22 H new ATOM 0 HG SER A 99 -6.851 -10.243 5.161 1.00 1.21 H new ATOM 1555 N ILE A 100 -6.448 -6.751 3.454 1.00 5.22 N ATOM 1556 CA ILE A 100 -7.590 -5.898 3.096 1.00 14.14 C ATOM 1557 C ILE A 100 -7.737 -5.751 1.574 1.00 5.32 C ATOM 1558 O ILE A 100 -6.796 -6.043 0.827 1.00 10.41 O ATOM 1559 CB ILE A 100 -7.457 -4.506 3.761 1.00 73.34 C ATOM 1560 CG1 ILE A 100 -6.064 -3.875 3.539 1.00 60.23 C ATOM 1561 CG2 ILE A 100 -7.774 -4.557 5.264 1.00 51.43 C ATOM 1562 CD1 ILE A 100 -6.107 -2.346 3.495 1.00 11.12 C ATOM 0 H ILE A 100 -5.614 -6.547 2.904 1.00 5.22 H new ATOM 0 HA ILE A 100 -8.491 -6.385 3.469 1.00 14.14 H new ATOM 0 HB ILE A 100 -8.195 -3.871 3.271 1.00 73.34 H new ATOM 0 HG12 ILE A 100 -5.395 -4.192 4.339 1.00 60.23 H new ATOM 0 HG13 ILE A 100 -5.645 -4.249 2.605 1.00 60.23 H new ATOM 0 HG21 ILE A 100 -7.669 -3.560 5.692 1.00 51.43 H new ATOM 0 HG22 ILE A 100 -8.796 -4.908 5.409 1.00 51.43 H new ATOM 0 HG23 ILE A 100 -7.083 -5.239 5.759 1.00 51.43 H new ATOM 0 HD11 ILE A 100 -5.101 -1.958 3.337 1.00 11.12 H new ATOM 0 HD12 ILE A 100 -6.753 -2.024 2.678 1.00 11.12 H new ATOM 0 HD13 ILE A 100 -6.498 -1.966 4.439 1.00 11.12 H new ATOM 1574 N ASP A 101 -8.867 -5.216 1.099 1.00 74.54 N ATOM 1575 CA ASP A 101 -9.031 -4.750 -0.284 1.00 31.12 C ATOM 1576 C ASP A 101 -8.817 -3.257 -0.375 1.00 53.43 C ATOM 1577 O ASP A 101 -9.034 -2.506 0.570 1.00 53.42 O ATOM 1578 CB ASP A 101 -10.422 -5.004 -0.869 1.00 42.23 C ATOM 1579 CG ASP A 101 -10.438 -6.150 -1.875 1.00 4.40 C ATOM 1580 OD1 ASP A 101 -9.631 -6.091 -2.826 1.00 3.12 O ATOM 1581 OD2 ASP A 101 -11.239 -7.096 -1.691 1.00 63.50 O ATOM 0 H ASP A 101 -9.703 -5.093 1.670 1.00 74.54 H new ATOM 0 HA ASP A 101 -8.291 -5.319 -0.847 1.00 31.12 H new ATOM 0 HB2 ASP A 101 -11.117 -5.227 -0.059 1.00 42.23 H new ATOM 0 HB3 ASP A 101 -10.779 -4.095 -1.354 1.00 42.23 H new ATOM 1586 N ALA A 102 -8.477 -2.825 -1.582 1.00 34.25 N ATOM 1587 CA ALA A 102 -8.018 -1.463 -1.820 1.00 62.53 C ATOM 1588 C ALA A 102 -9.181 -0.483 -1.917 1.00 33.31 C ATOM 1589 O ALA A 102 -8.996 0.704 -1.649 1.00 44.42 O ATOM 1590 CB ALA A 102 -7.126 -1.389 -3.054 1.00 71.23 C ATOM 0 H ALA A 102 -8.511 -3.406 -2.420 1.00 34.25 H new ATOM 0 HA ALA A 102 -7.419 -1.168 -0.958 1.00 62.53 H new ATOM 0 HB1 ALA A 102 -6.799 -0.360 -3.206 1.00 71.23 H new ATOM 0 HB2 ALA A 102 -6.255 -2.029 -2.912 1.00 71.23 H new ATOM 0 HB3 ALA A 102 -7.685 -1.725 -3.928 1.00 71.23 H new ATOM 1596 N ALA A 103 -10.400 -0.976 -2.172 1.00 1.02 N ATOM 1597 CA ALA A 103 -11.604 -0.150 -2.134 1.00 63.15 C ATOM 1598 C ALA A 103 -11.809 0.456 -0.748 1.00 52.12 C ATOM 1599 O ALA A 103 -12.436 1.502 -0.608 1.00 52.02 O ATOM 1600 CB ALA A 103 -12.804 -1.033 -2.455 1.00 13.13 C ATOM 0 H ALA A 103 -10.574 -1.953 -2.409 1.00 1.02 H new ATOM 0 HA ALA A 103 -11.499 0.657 -2.859 1.00 63.15 H new ATOM 0 HB1 ALA A 103 -13.714 -0.433 -2.431 1.00 13.13 H new ATOM 0 HB2 ALA A 103 -12.681 -1.467 -3.447 1.00 13.13 H new ATOM 0 HB3 ALA A 103 -12.876 -1.831 -1.716 1.00 13.13 H new ATOM 1606 N GLN A 104 -11.265 -0.192 0.280 1.00 23.34 N ATOM 1607 CA GLN A 104 -11.362 0.248 1.660 1.00 2.22 C ATOM 1608 C GLN A 104 -10.334 1.342 1.972 1.00 3.04 C ATOM 1609 O GLN A 104 -10.292 1.836 3.096 1.00 42.40 O ATOM 1610 CB GLN A 104 -11.216 -0.986 2.562 1.00 50.52 C ATOM 1611 CG GLN A 104 -12.298 -2.032 2.221 1.00 4.11 C ATOM 1612 CD GLN A 104 -13.100 -2.397 3.451 1.00 63.32 C ATOM 1613 OE1 GLN A 104 -14.092 -1.745 3.769 1.00 4.35 O ATOM 1614 NE2 GLN A 104 -12.689 -3.429 4.155 1.00 73.15 N ATOM 0 H GLN A 104 -10.734 -1.056 0.169 1.00 23.34 H new ATOM 0 HA GLN A 104 -12.333 0.707 1.846 1.00 2.22 H new ATOM 0 HB2 GLN A 104 -10.226 -1.423 2.434 1.00 50.52 H new ATOM 0 HB3 GLN A 104 -11.302 -0.692 3.608 1.00 50.52 H new ATOM 0 HG2 GLN A 104 -12.962 -1.637 1.452 1.00 4.11 H new ATOM 0 HG3 GLN A 104 -11.829 -2.926 1.809 1.00 4.11 H new ATOM 0 HE21 GLN A 104 -11.861 -3.949 3.863 1.00 73.15 H new ATOM 0 HE22 GLN A 104 -13.198 -3.710 4.993 1.00 73.15 H new ATOM 1623 N VAL A 105 -9.520 1.748 0.998 1.00 64.20 N ATOM 1624 CA VAL A 105 -8.421 2.685 1.144 1.00 32.02 C ATOM 1625 C VAL A 105 -8.527 3.799 0.114 1.00 64.12 C ATOM 1626 O VAL A 105 -8.273 4.959 0.415 1.00 43.55 O ATOM 1627 CB VAL A 105 -7.084 1.932 1.077 1.00 2.21 C ATOM 1628 CG1 VAL A 105 -5.924 2.860 1.430 1.00 62.12 C ATOM 1629 CG2 VAL A 105 -7.063 0.738 2.033 1.00 64.11 C ATOM 0 H VAL A 105 -9.619 1.412 0.040 1.00 64.20 H new ATOM 0 HA VAL A 105 -8.473 3.165 2.121 1.00 32.02 H new ATOM 0 HB VAL A 105 -6.974 1.571 0.054 1.00 2.21 H new ATOM 0 HG11 VAL A 105 -4.986 2.307 1.377 1.00 62.12 H new ATOM 0 HG12 VAL A 105 -5.896 3.691 0.725 1.00 62.12 H new ATOM 0 HG13 VAL A 105 -6.061 3.245 2.440 1.00 62.12 H new ATOM 0 HG21 VAL A 105 -6.102 0.229 1.959 1.00 64.11 H new ATOM 0 HG22 VAL A 105 -7.210 1.087 3.055 1.00 64.11 H new ATOM 0 HG23 VAL A 105 -7.862 0.045 1.768 1.00 64.11 H new ATOM 1639 N THR A 106 -8.903 3.500 -1.125 1.00 14.14 N ATOM 1640 CA THR A 106 -8.962 4.520 -2.166 1.00 51.42 C ATOM 1641 C THR A 106 -10.164 5.449 -1.985 1.00 52.22 C ATOM 1642 O THR A 106 -10.234 6.512 -2.603 1.00 32.34 O ATOM 1643 CB THR A 106 -8.889 3.873 -3.558 1.00 45.14 C ATOM 1644 OG1 THR A 106 -9.847 2.844 -3.717 1.00 25.34 O ATOM 1645 CG2 THR A 106 -7.494 3.289 -3.819 1.00 62.30 C ATOM 0 H THR A 106 -9.170 2.565 -1.432 1.00 14.14 H new ATOM 0 HA THR A 106 -8.087 5.163 -2.073 1.00 51.42 H new ATOM 0 HB THR A 106 -9.102 4.665 -4.277 1.00 45.14 H new ATOM 0 HG1 THR A 106 -9.768 2.460 -4.615 1.00 25.34 H new ATOM 0 HG21 THR A 106 -7.468 2.837 -4.811 1.00 62.30 H new ATOM 0 HG22 THR A 106 -6.750 4.084 -3.763 1.00 62.30 H new ATOM 0 HG23 THR A 106 -7.271 2.531 -3.069 1.00 62.30 H new ATOM 1653 N GLU A 107 -11.105 5.076 -1.119 1.00 73.04 N ATOM 1654 CA GLU A 107 -12.280 5.868 -0.760 1.00 74.43 C ATOM 1655 C GLU A 107 -12.036 6.739 0.475 1.00 12.31 C ATOM 1656 O GLU A 107 -12.934 7.459 0.922 1.00 5.42 O ATOM 1657 CB GLU A 107 -13.503 4.953 -0.598 1.00 31.41 C ATOM 1658 CG GLU A 107 -13.920 4.300 -1.900 1.00 24.14 C ATOM 1659 CD GLU A 107 -15.279 3.609 -1.812 1.00 23.41 C ATOM 1660 OE1 GLU A 107 -16.310 4.309 -1.710 1.00 12.53 O ATOM 1661 OE2 GLU A 107 -15.361 2.362 -1.911 1.00 34.24 O ATOM 0 H GLU A 107 -11.069 4.181 -0.630 1.00 73.04 H new ATOM 0 HA GLU A 107 -12.484 6.563 -1.575 1.00 74.43 H new ATOM 0 HB2 GLU A 107 -13.278 4.179 0.136 1.00 31.41 H new ATOM 0 HB3 GLU A 107 -14.337 5.534 -0.204 1.00 31.41 H new ATOM 0 HG2 GLU A 107 -13.953 5.056 -2.685 1.00 24.14 H new ATOM 0 HG3 GLU A 107 -13.165 3.570 -2.192 1.00 24.14 H new ATOM 1668 N ILE A 108 -10.817 6.716 1.007 1.00 4.52 N ATOM 1669 CA ILE A 108 -10.315 7.627 2.024 1.00 31.02 C ATOM 1670 C ILE A 108 -9.742 8.808 1.253 1.00 52.12 C ATOM 1671 O ILE A 108 -10.253 9.936 1.421 1.00 43.51 O ATOM 1672 CB ILE A 108 -9.279 6.913 2.930 1.00 41.44 C ATOM 1673 CG1 ILE A 108 -9.837 5.564 3.449 1.00 63.23 C ATOM 1674 CG2 ILE A 108 -8.915 7.858 4.080 1.00 42.10 C ATOM 1675 CD1 ILE A 108 -9.027 4.842 4.537 1.00 31.12 C ATOM 0 H ILE A 108 -10.120 6.026 0.725 1.00 4.52 H new ATOM 0 HA ILE A 108 -11.088 7.971 2.711 1.00 31.02 H new ATOM 0 HB ILE A 108 -8.380 6.678 2.360 1.00 41.44 H new ATOM 0 HG12 ILE A 108 -10.841 5.740 3.836 1.00 63.23 H new ATOM 0 HG13 ILE A 108 -9.937 4.890 2.598 1.00 63.23 H new ATOM 0 HG21 ILE A 108 -8.186 7.375 4.731 1.00 42.10 H new ATOM 0 HG22 ILE A 108 -8.488 8.776 3.676 1.00 42.10 H new ATOM 0 HG23 ILE A 108 -9.811 8.096 4.653 1.00 42.10 H new ATOM 0 HD11 ILE A 108 -9.529 3.913 4.808 1.00 31.12 H new ATOM 0 HD12 ILE A 108 -8.029 4.618 4.160 1.00 31.12 H new ATOM 0 HD13 ILE A 108 -8.947 5.482 5.416 1.00 31.12 H new TER 1687 ILE A 108