USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 514 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 Single : A 1 SER N :NH3+ 171:sc= -0.0391 (180deg=-0.157) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 68:sc= 0.731 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 12 THR OG1 : rot -51:sc= 0.111 USER MOD Single : A 15 GLN : amide:sc= -4.53! C(o=-4.5!,f=-10!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 88:sc= 0.0452 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.47! C(o=-1.5!,f=-3.4!) USER MOD Single : A 40 GLN : amide:sc= -1.45 K(o=-1.4,f=-7!) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 45 MET CE :methyl 156:sc= -0.152 (180deg=-0.777) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -62:sc= 0.881 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.446 K(o=-0.45,f=-1.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -40.841 -2.028 3.401 1.00 0.00 N ATOM 2 CA SER A 1 -39.716 -2.990 3.218 1.00 0.00 C ATOM 3 C SER A 1 -38.698 -2.429 2.222 1.00 0.00 C ATOM 4 O SER A 1 -38.036 -3.163 1.515 1.00 0.00 O ATOM 5 CB SER A 1 -40.365 -4.258 2.665 1.00 0.00 C ATOM 6 OG SER A 1 -39.667 -5.395 3.155 1.00 0.00 O ATOM 0 H1 SER A 1 -41.596 -2.479 3.956 1.00 0.00 H new ATOM 0 H2 SER A 1 -40.498 -1.185 3.904 1.00 0.00 H new ATOM 0 H3 SER A 1 -41.214 -1.749 2.471 1.00 0.00 H new ATOM 0 HA SER A 1 -39.179 -3.180 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 1 -41.413 -4.304 2.963 1.00 0.00 H new ATOM 0 HB3 SER A 1 -40.344 -4.246 1.575 1.00 0.00 H new ATOM 0 HG SER A 1 -40.082 -6.210 2.803 1.00 0.00 H new ATOM 14 N ASP A 2 -38.567 -1.132 2.159 1.00 0.00 N ATOM 15 CA ASP A 2 -37.591 -0.525 1.208 1.00 0.00 C ATOM 16 C ASP A 2 -36.369 -0.002 1.968 1.00 0.00 C ATOM 17 O ASP A 2 -36.402 1.057 2.562 1.00 0.00 O ATOM 18 CB ASP A 2 -38.345 0.628 0.545 1.00 0.00 C ATOM 19 CG ASP A 2 -39.750 0.166 0.154 1.00 0.00 C ATOM 20 OD1 ASP A 2 -39.951 -1.033 0.055 1.00 0.00 O ATOM 21 OD2 ASP A 2 -40.600 1.019 -0.040 1.00 0.00 O ATOM 0 H ASP A 2 -39.093 -0.466 2.725 1.00 0.00 H new ATOM 0 HA ASP A 2 -37.226 -1.245 0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -38.407 1.475 1.228 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -37.805 0.969 -0.338 1.00 0.00 H new ATOM 26 N VAL A 3 -35.290 -0.736 1.953 1.00 0.00 N ATOM 27 CA VAL A 3 -34.067 -0.280 2.675 1.00 0.00 C ATOM 28 C VAL A 3 -33.083 0.359 1.693 1.00 0.00 C ATOM 29 O VAL A 3 -31.953 0.651 2.031 1.00 0.00 O ATOM 30 CB VAL A 3 -33.471 -1.549 3.280 1.00 0.00 C ATOM 31 CG1 VAL A 3 -32.227 -1.191 4.095 1.00 0.00 C ATOM 32 CG2 VAL A 3 -34.504 -2.212 4.194 1.00 0.00 C ATOM 0 H VAL A 3 -35.202 -1.631 1.472 1.00 0.00 H new ATOM 0 HA VAL A 3 -34.289 0.469 3.435 1.00 0.00 H new ATOM 0 HB VAL A 3 -33.196 -2.237 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -31.802 -2.097 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -31.490 -0.718 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -32.501 -0.502 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -34.079 -3.118 4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -34.778 -1.523 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -35.391 -2.468 3.615 1.00 0.00 H new ATOM 42 N LEU A 4 -33.510 0.588 0.485 1.00 0.00 N ATOM 43 CA LEU A 4 -32.605 1.223 -0.517 1.00 0.00 C ATOM 44 C LEU A 4 -33.174 2.572 -0.960 1.00 0.00 C ATOM 45 O LEU A 4 -33.205 2.894 -2.131 1.00 0.00 O ATOM 46 CB LEU A 4 -32.498 0.243 -1.698 1.00 0.00 C ATOM 47 CG LEU A 4 -33.865 -0.329 -2.109 1.00 0.00 C ATOM 48 CD1 LEU A 4 -34.291 -1.423 -1.129 1.00 0.00 C ATOM 49 CD2 LEU A 4 -34.927 0.775 -2.157 1.00 0.00 C ATOM 0 H LEU A 4 -34.445 0.364 0.146 1.00 0.00 H new ATOM 0 HA LEU A 4 -31.618 1.419 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -32.049 0.753 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -31.831 -0.576 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 4 -33.771 -0.758 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -35.260 -1.822 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -33.552 -2.224 -1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -34.365 -1.004 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -35.885 0.346 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -35.021 1.233 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -34.632 1.533 -2.883 1.00 0.00 H new ATOM 61 N ASP A 5 -33.626 3.360 -0.024 1.00 0.00 N ATOM 62 CA ASP A 5 -34.198 4.691 -0.372 1.00 0.00 C ATOM 63 C ASP A 5 -34.487 5.489 0.903 1.00 0.00 C ATOM 64 O ASP A 5 -34.022 6.599 1.070 1.00 0.00 O ATOM 65 CB ASP A 5 -35.497 4.382 -1.118 1.00 0.00 C ATOM 66 CG ASP A 5 -35.510 5.132 -2.451 1.00 0.00 C ATOM 67 OD1 ASP A 5 -34.438 5.422 -2.957 1.00 0.00 O ATOM 68 OD2 ASP A 5 -36.593 5.403 -2.945 1.00 0.00 O ATOM 0 H ASP A 5 -33.624 3.138 0.972 1.00 0.00 H new ATOM 0 HA ASP A 5 -33.516 5.290 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -35.583 3.309 -1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -36.355 4.677 -0.514 1.00 0.00 H new ATOM 73 N ILE A 6 -35.249 4.933 1.808 1.00 0.00 N ATOM 74 CA ILE A 6 -35.560 5.666 3.071 1.00 0.00 C ATOM 75 C ILE A 6 -34.840 5.009 4.252 1.00 0.00 C ATOM 76 O ILE A 6 -35.388 4.873 5.327 1.00 0.00 O ATOM 77 CB ILE A 6 -37.078 5.561 3.245 1.00 0.00 C ATOM 78 CG1 ILE A 6 -37.769 5.750 1.891 1.00 0.00 C ATOM 79 CG2 ILE A 6 -37.555 6.647 4.211 1.00 0.00 C ATOM 80 CD1 ILE A 6 -37.546 7.182 1.400 1.00 0.00 C ATOM 0 H ILE A 6 -35.668 4.007 1.728 1.00 0.00 H new ATOM 0 HA ILE A 6 -35.232 6.705 3.030 1.00 0.00 H new ATOM 0 HB ILE A 6 -37.327 4.578 3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -37.372 5.040 1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -38.836 5.548 1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -38.635 6.574 4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -37.068 6.514 5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -37.302 7.628 3.809 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -38.038 7.317 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -37.964 7.883 2.122 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -36.477 7.367 1.291 1.00 0.00 H new ATOM 92 N THR A 7 -33.614 4.603 4.058 1.00 0.00 N ATOM 93 CA THR A 7 -32.851 3.955 5.166 1.00 0.00 C ATOM 94 C THR A 7 -31.420 3.641 4.706 1.00 0.00 C ATOM 95 O THR A 7 -30.493 3.643 5.492 1.00 0.00 O ATOM 96 CB THR A 7 -33.629 2.667 5.486 1.00 0.00 C ATOM 97 OG1 THR A 7 -34.664 2.956 6.418 1.00 0.00 O ATOM 98 CG2 THR A 7 -32.690 1.618 6.089 1.00 0.00 C ATOM 0 H THR A 7 -33.106 4.692 3.178 1.00 0.00 H new ATOM 0 HA THR A 7 -32.762 4.595 6.044 1.00 0.00 H new ATOM 0 HB THR A 7 -34.058 2.277 4.563 1.00 0.00 H new ATOM 0 HG1 THR A 7 -35.344 3.516 5.988 1.00 0.00 H new ATOM 0 HG21 THR A 7 -33.252 0.711 6.311 1.00 0.00 H new ATOM 0 HG22 THR A 7 -31.897 1.388 5.378 1.00 0.00 H new ATOM 0 HG23 THR A 7 -32.252 2.007 7.008 1.00 0.00 H new ATOM 106 N ALA A 8 -31.233 3.370 3.442 1.00 0.00 N ATOM 107 CA ALA A 8 -29.864 3.056 2.941 1.00 0.00 C ATOM 108 C ALA A 8 -28.848 4.052 3.509 1.00 0.00 C ATOM 109 O ALA A 8 -28.046 3.719 4.358 1.00 0.00 O ATOM 110 CB ALA A 8 -29.958 3.193 1.421 1.00 0.00 C ATOM 0 H ALA A 8 -31.968 3.353 2.735 1.00 0.00 H new ATOM 0 HA ALA A 8 -29.533 2.062 3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -28.987 2.977 0.975 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -30.698 2.490 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -30.257 4.210 1.165 1.00 0.00 H new ATOM 116 N ASP A 9 -28.874 5.271 3.044 1.00 0.00 N ATOM 117 CA ASP A 9 -27.908 6.284 3.557 1.00 0.00 C ATOM 118 C ASP A 9 -28.486 7.694 3.407 1.00 0.00 C ATOM 119 O ASP A 9 -28.380 8.301 2.360 1.00 0.00 O ATOM 120 CB ASP A 9 -26.665 6.119 2.682 1.00 0.00 C ATOM 121 CG ASP A 9 -25.728 7.309 2.894 1.00 0.00 C ATOM 122 OD1 ASP A 9 -25.504 7.665 4.039 1.00 0.00 O ATOM 123 OD2 ASP A 9 -25.250 7.845 1.908 1.00 0.00 O ATOM 0 H ASP A 9 -29.521 5.609 2.332 1.00 0.00 H new ATOM 0 HA ASP A 9 -27.686 6.145 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -26.152 5.190 2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -26.953 6.052 1.633 1.00 0.00 H new ATOM 128 N PRO A 10 -29.080 8.167 4.468 1.00 0.00 N ATOM 129 CA PRO A 10 -29.684 9.521 4.464 1.00 0.00 C ATOM 130 C PRO A 10 -28.589 10.592 4.491 1.00 0.00 C ATOM 131 O PRO A 10 -28.698 11.621 3.854 1.00 0.00 O ATOM 132 CB PRO A 10 -30.507 9.550 5.749 1.00 0.00 C ATOM 133 CG PRO A 10 -29.860 8.542 6.646 1.00 0.00 C ATOM 134 CD PRO A 10 -29.244 7.491 5.759 1.00 0.00 C ATOM 0 HA PRO A 10 -30.284 9.722 3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -30.500 10.542 6.200 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -31.549 9.295 5.556 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -29.100 9.013 7.270 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -30.594 8.097 7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -28.288 7.146 6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -29.887 6.615 5.672 1.00 0.00 H new ATOM 142 N THR A 11 -27.534 10.355 5.221 1.00 0.00 N ATOM 143 CA THR A 11 -26.432 11.358 5.288 1.00 0.00 C ATOM 144 C THR A 11 -25.143 10.761 4.716 1.00 0.00 C ATOM 145 O THR A 11 -24.765 11.035 3.594 1.00 0.00 O ATOM 146 CB THR A 11 -26.266 11.668 6.776 1.00 0.00 C ATOM 147 OG1 THR A 11 -26.862 10.631 7.543 1.00 0.00 O ATOM 148 CG2 THR A 11 -26.944 13.000 7.100 1.00 0.00 C ATOM 0 H THR A 11 -27.387 9.511 5.774 1.00 0.00 H new ATOM 0 HA THR A 11 -26.653 12.255 4.709 1.00 0.00 H new ATOM 0 HB THR A 11 -25.205 11.735 7.018 1.00 0.00 H new ATOM 0 HG1 THR A 11 -26.755 10.827 8.497 1.00 0.00 H new ATOM 0 HG21 THR A 11 -26.825 13.220 8.161 1.00 0.00 H new ATOM 0 HG22 THR A 11 -26.486 13.794 6.511 1.00 0.00 H new ATOM 0 HG23 THR A 11 -28.005 12.936 6.859 1.00 0.00 H new ATOM 156 N THR A 12 -24.469 9.943 5.478 1.00 0.00 N ATOM 157 CA THR A 12 -23.206 9.326 4.975 1.00 0.00 C ATOM 158 C THR A 12 -22.631 8.360 6.016 1.00 0.00 C ATOM 159 O THR A 12 -21.436 8.146 6.083 1.00 0.00 O ATOM 160 CB THR A 12 -22.252 10.501 4.738 1.00 0.00 C ATOM 161 OG1 THR A 12 -21.179 10.073 3.911 1.00 0.00 O ATOM 162 CG2 THR A 12 -21.695 11.003 6.078 1.00 0.00 C ATOM 0 H THR A 12 -24.737 9.675 6.425 1.00 0.00 H new ATOM 0 HA THR A 12 -23.366 8.746 4.066 1.00 0.00 H new ATOM 0 HB THR A 12 -22.794 11.312 4.251 1.00 0.00 H new ATOM 0 HG1 THR A 12 -20.786 9.256 4.282 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.018 11.838 5.900 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.517 11.331 6.714 1.00 0.00 H new ATOM 0 HG23 THR A 12 -21.154 10.196 6.572 1.00 0.00 H new ATOM 170 N ALA A 13 -23.469 7.775 6.829 1.00 0.00 N ATOM 171 CA ALA A 13 -22.964 6.826 7.863 1.00 0.00 C ATOM 172 C ALA A 13 -22.567 5.494 7.217 1.00 0.00 C ATOM 173 O ALA A 13 -21.417 5.106 7.261 1.00 0.00 O ATOM 174 CB ALA A 13 -24.132 6.632 8.830 1.00 0.00 C ATOM 0 H ALA A 13 -24.480 7.913 6.822 1.00 0.00 H new ATOM 0 HA ALA A 13 -22.077 7.204 8.370 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -23.838 5.944 9.622 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -24.406 7.592 9.267 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -24.986 6.221 8.291 1.00 0.00 H new ATOM 180 N PRO A 14 -23.534 4.834 6.636 1.00 0.00 N ATOM 181 CA PRO A 14 -23.271 3.531 5.975 1.00 0.00 C ATOM 182 C PRO A 14 -22.500 3.750 4.670 1.00 0.00 C ATOM 183 O PRO A 14 -22.139 2.813 3.986 1.00 0.00 O ATOM 184 CB PRO A 14 -24.672 2.981 5.695 1.00 0.00 C ATOM 185 CG PRO A 14 -25.551 4.189 5.628 1.00 0.00 C ATOM 186 CD PRO A 14 -24.945 5.228 6.536 1.00 0.00 C ATOM 0 HA PRO A 14 -22.668 2.853 6.579 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -24.697 2.421 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -24.994 2.300 6.483 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -25.616 4.562 4.606 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -26.565 3.945 5.944 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -25.051 6.231 6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -25.428 5.234 7.513 1.00 0.00 H new ATOM 194 N GLN A 15 -22.246 4.981 4.320 1.00 0.00 N ATOM 195 CA GLN A 15 -21.498 5.260 3.061 1.00 0.00 C ATOM 196 C GLN A 15 -19.991 5.164 3.311 1.00 0.00 C ATOM 197 O GLN A 15 -19.231 4.783 2.443 1.00 0.00 O ATOM 198 CB GLN A 15 -21.889 6.687 2.676 1.00 0.00 C ATOM 199 CG GLN A 15 -22.220 6.741 1.183 1.00 0.00 C ATOM 200 CD GLN A 15 -23.405 5.819 0.889 1.00 0.00 C ATOM 201 OE1 GLN A 15 -24.177 5.503 1.772 1.00 0.00 O ATOM 202 NE2 GLN A 15 -23.583 5.372 -0.324 1.00 0.00 N ATOM 0 H GLN A 15 -22.524 5.806 4.851 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.735 4.547 2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -22.749 7.010 3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.073 7.373 2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -22.459 7.763 0.890 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.354 6.436 0.596 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -22.935 5.637 -1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -24.370 4.757 -0.531 1.00 0.00 H new ATOM 211 N THR A 16 -19.552 5.506 4.492 1.00 0.00 N ATOM 212 CA THR A 16 -18.094 5.433 4.793 1.00 0.00 C ATOM 213 C THR A 16 -17.655 3.970 4.923 1.00 0.00 C ATOM 214 O THR A 16 -16.639 3.567 4.393 1.00 0.00 O ATOM 215 CB THR A 16 -17.922 6.182 6.121 1.00 0.00 C ATOM 216 OG1 THR A 16 -16.569 6.594 6.257 1.00 0.00 O ATOM 217 CG2 THR A 16 -18.298 5.272 7.294 1.00 0.00 C ATOM 0 H THR A 16 -20.139 5.832 5.260 1.00 0.00 H new ATOM 0 HA THR A 16 -17.483 5.873 4.004 1.00 0.00 H new ATOM 0 HB THR A 16 -18.576 7.054 6.125 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.457 7.074 7.104 1.00 0.00 H new ATOM 0 HG21 THR A 16 -18.172 5.815 8.231 1.00 0.00 H new ATOM 0 HG22 THR A 16 -19.337 4.959 7.193 1.00 0.00 H new ATOM 0 HG23 THR A 16 -17.653 4.393 7.294 1.00 0.00 H new ATOM 225 N GLU A 17 -18.415 3.173 5.624 1.00 0.00 N ATOM 226 CA GLU A 17 -18.045 1.742 5.788 1.00 0.00 C ATOM 227 C GLU A 17 -17.798 1.098 4.421 1.00 0.00 C ATOM 228 O GLU A 17 -16.836 0.382 4.226 1.00 0.00 O ATOM 229 CB GLU A 17 -19.249 1.098 6.477 1.00 0.00 C ATOM 230 CG GLU A 17 -18.791 0.395 7.756 1.00 0.00 C ATOM 231 CD GLU A 17 -17.974 1.367 8.609 1.00 0.00 C ATOM 232 OE1 GLU A 17 -18.286 2.546 8.590 1.00 0.00 O ATOM 233 OE2 GLU A 17 -17.051 0.916 9.267 1.00 0.00 O ATOM 0 H GLU A 17 -19.278 3.454 6.090 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.130 1.616 6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.994 1.857 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.725 0.382 5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.655 0.040 8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.191 -0.480 7.507 1.00 0.00 H new ATOM 240 N ARG A 18 -18.660 1.349 3.473 1.00 0.00 N ATOM 241 CA ARG A 18 -18.473 0.751 2.119 1.00 0.00 C ATOM 242 C ARG A 18 -17.264 1.387 1.427 1.00 0.00 C ATOM 243 O ARG A 18 -16.482 0.716 0.782 1.00 0.00 O ATOM 244 CB ARG A 18 -19.762 1.071 1.358 1.00 0.00 C ATOM 245 CG ARG A 18 -19.605 0.668 -0.110 1.00 0.00 C ATOM 246 CD ARG A 18 -20.209 -0.722 -0.330 1.00 0.00 C ATOM 247 NE ARG A 18 -19.735 -1.541 0.823 1.00 0.00 N ATOM 248 CZ ARG A 18 -20.549 -1.815 1.806 1.00 0.00 C ATOM 249 NH1 ARG A 18 -21.809 -2.052 1.563 1.00 0.00 N ATOM 250 NH2 ARG A 18 -20.102 -1.854 3.031 1.00 0.00 N ATOM 0 H ARG A 18 -19.484 1.941 3.577 1.00 0.00 H new ATOM 0 HA ARG A 18 -18.287 -0.322 2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -20.602 0.538 1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -19.985 2.135 1.432 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -20.100 1.396 -0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -18.550 0.665 -0.386 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -21.298 -0.678 -0.361 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -19.880 -1.149 -1.278 1.00 0.00 H new ATOM 0 HE ARG A 18 -18.776 -1.887 0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -22.158 -2.023 0.605 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -22.445 -2.266 2.331 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.117 -1.670 3.220 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -20.738 -2.068 3.799 1.00 0.00 H new ATOM 264 N MET A 19 -17.103 2.676 1.557 1.00 0.00 N ATOM 265 CA MET A 19 -15.942 3.348 0.907 1.00 0.00 C ATOM 266 C MET A 19 -14.635 2.793 1.476 1.00 0.00 C ATOM 267 O MET A 19 -13.706 2.501 0.750 1.00 0.00 O ATOM 268 CB MET A 19 -16.094 4.836 1.260 1.00 0.00 C ATOM 269 CG MET A 19 -15.668 5.756 0.092 1.00 0.00 C ATOM 270 SD MET A 19 -14.427 4.958 -0.969 1.00 0.00 S ATOM 271 CE MET A 19 -14.565 6.092 -2.372 1.00 0.00 C ATOM 0 H MET A 19 -17.723 3.291 2.084 1.00 0.00 H new ATOM 0 HA MET A 19 -15.918 3.187 -0.171 1.00 0.00 H new ATOM 0 HB2 MET A 19 -17.131 5.042 1.523 1.00 0.00 H new ATOM 0 HB3 MET A 19 -15.491 5.063 2.139 1.00 0.00 H new ATOM 0 HG2 MET A 19 -16.543 6.018 -0.504 1.00 0.00 H new ATOM 0 HG3 MET A 19 -15.263 6.687 0.490 1.00 0.00 H new ATOM 0 HE1 MET A 19 -13.876 5.784 -3.158 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.585 6.073 -2.756 1.00 0.00 H new ATOM 0 HE3 MET A 19 -14.318 7.103 -2.048 1.00 0.00 H new ATOM 281 N MET A 20 -14.559 2.635 2.769 1.00 0.00 N ATOM 282 CA MET A 20 -13.314 2.088 3.375 1.00 0.00 C ATOM 283 C MET A 20 -13.063 0.680 2.837 1.00 0.00 C ATOM 284 O MET A 20 -11.958 0.327 2.476 1.00 0.00 O ATOM 285 CB MET A 20 -13.586 2.050 4.880 1.00 0.00 C ATOM 286 CG MET A 20 -13.721 3.478 5.410 1.00 0.00 C ATOM 287 SD MET A 20 -13.412 3.491 7.194 1.00 0.00 S ATOM 288 CE MET A 20 -12.160 4.798 7.197 1.00 0.00 C ATOM 0 H MET A 20 -15.303 2.860 3.429 1.00 0.00 H new ATOM 0 HA MET A 20 -12.434 2.688 3.142 1.00 0.00 H new ATOM 0 HB2 MET A 20 -14.498 1.488 5.081 1.00 0.00 H new ATOM 0 HB3 MET A 20 -12.774 1.535 5.394 1.00 0.00 H new ATOM 0 HG2 MET A 20 -13.014 4.134 4.903 1.00 0.00 H new ATOM 0 HG3 MET A 20 -14.719 3.862 5.200 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.821 4.975 8.218 1.00 0.00 H new ATOM 0 HE2 MET A 20 -11.314 4.493 6.581 1.00 0.00 H new ATOM 0 HE3 MET A 20 -12.590 5.715 6.794 1.00 0.00 H new ATOM 298 N ARG A 21 -14.088 -0.126 2.775 1.00 0.00 N ATOM 299 CA ARG A 21 -13.920 -1.507 2.256 1.00 0.00 C ATOM 300 C ARG A 21 -13.295 -1.470 0.859 1.00 0.00 C ATOM 301 O ARG A 21 -12.429 -2.258 0.534 1.00 0.00 O ATOM 302 CB ARG A 21 -15.335 -2.083 2.196 1.00 0.00 C ATOM 303 CG ARG A 21 -15.296 -3.472 1.556 1.00 0.00 C ATOM 304 CD ARG A 21 -16.483 -3.631 0.605 1.00 0.00 C ATOM 305 NE ARG A 21 -16.581 -5.095 0.352 1.00 0.00 N ATOM 306 CZ ARG A 21 -17.377 -5.545 -0.578 1.00 0.00 C ATOM 307 NH1 ARG A 21 -18.671 -5.485 -0.415 1.00 0.00 N ATOM 308 NH2 ARG A 21 -16.881 -6.056 -1.672 1.00 0.00 N ATOM 0 H ARG A 21 -15.036 0.116 3.063 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.263 -2.109 2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -15.756 -2.145 3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.983 -1.423 1.619 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.361 -3.607 1.013 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.330 -4.241 2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.400 -3.245 1.050 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.323 -3.080 -0.322 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.025 -5.746 0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -19.059 -5.086 0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.294 -5.837 -1.142 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.870 -6.104 -1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.504 -6.408 -2.399 1.00 0.00 H new ATOM 322 N ILE A 22 -13.726 -0.557 0.030 1.00 0.00 N ATOM 323 CA ILE A 22 -13.153 -0.469 -1.344 1.00 0.00 C ATOM 324 C ILE A 22 -11.671 -0.095 -1.273 1.00 0.00 C ATOM 325 O ILE A 22 -10.826 -0.758 -1.840 1.00 0.00 O ATOM 326 CB ILE A 22 -13.953 0.635 -2.037 1.00 0.00 C ATOM 327 CG1 ILE A 22 -15.398 0.170 -2.233 1.00 0.00 C ATOM 328 CG2 ILE A 22 -13.327 0.941 -3.398 1.00 0.00 C ATOM 329 CD1 ILE A 22 -15.405 -1.231 -2.848 1.00 0.00 C ATOM 0 H ILE A 22 -14.449 0.130 0.244 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.217 -1.415 -1.881 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.940 1.534 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -15.921 0.161 -1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -15.930 0.866 -2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.897 1.728 -3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.298 1.271 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.339 0.042 -4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -16.434 -1.562 -2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -14.897 -1.208 -3.812 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -14.888 -1.923 -2.183 1.00 0.00 H new ATOM 341 N ASN A 23 -11.348 0.962 -0.578 1.00 0.00 N ATOM 342 CA ASN A 23 -9.920 1.375 -0.470 1.00 0.00 C ATOM 343 C ASN A 23 -9.092 0.245 0.148 1.00 0.00 C ATOM 344 O ASN A 23 -7.886 0.197 0.008 1.00 0.00 O ATOM 345 CB ASN A 23 -9.929 2.598 0.447 1.00 0.00 C ATOM 346 CG ASN A 23 -10.067 3.868 -0.395 1.00 0.00 C ATOM 347 OD1 ASN A 23 -9.124 4.295 -1.030 1.00 0.00 O ATOM 348 ND2 ASN A 23 -11.212 4.493 -0.426 1.00 0.00 N ATOM 0 H ASN A 23 -12.011 1.557 -0.081 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.479 1.599 -1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.754 2.528 1.156 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.009 2.634 1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.315 5.341 -0.984 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.004 4.134 0.108 1.00 0.00 H new ATOM 355 N TRP A 24 -9.732 -0.665 0.830 1.00 0.00 N ATOM 356 CA TRP A 24 -8.983 -1.792 1.455 1.00 0.00 C ATOM 357 C TRP A 24 -8.631 -2.841 0.398 1.00 0.00 C ATOM 358 O TRP A 24 -7.508 -3.296 0.311 1.00 0.00 O ATOM 359 CB TRP A 24 -9.941 -2.378 2.494 1.00 0.00 C ATOM 360 CG TRP A 24 -9.162 -3.123 3.530 1.00 0.00 C ATOM 361 CD1 TRP A 24 -7.812 -3.204 3.580 1.00 0.00 C ATOM 362 CD2 TRP A 24 -9.660 -3.892 4.663 1.00 0.00 C ATOM 363 NE1 TRP A 24 -7.450 -3.973 4.671 1.00 0.00 N ATOM 364 CE2 TRP A 24 -8.554 -4.421 5.370 1.00 0.00 C ATOM 365 CE3 TRP A 24 -10.951 -4.180 5.141 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -8.722 -5.206 6.510 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -11.124 -4.971 6.289 1.00 0.00 C ATOM 368 CH2 TRP A 24 -10.012 -5.483 6.972 1.00 0.00 C ATOM 0 H TRP A 24 -10.741 -0.677 0.981 1.00 0.00 H new ATOM 0 HA TRP A 24 -8.045 -1.466 1.905 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.518 -1.581 2.962 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -10.654 -3.046 2.010 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -7.129 -2.743 2.882 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.486 -4.184 4.928 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -11.815 -3.791 4.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.862 -5.597 7.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.120 -5.186 6.648 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.152 -6.091 7.854 1.00 0.00 H new ATOM 379 N LYS A 25 -9.582 -3.226 -0.409 1.00 0.00 N ATOM 380 CA LYS A 25 -9.297 -4.244 -1.462 1.00 0.00 C ATOM 381 C LYS A 25 -8.252 -3.706 -2.444 1.00 0.00 C ATOM 382 O LYS A 25 -7.348 -4.409 -2.850 1.00 0.00 O ATOM 383 CB LYS A 25 -10.636 -4.472 -2.167 1.00 0.00 C ATOM 384 CG LYS A 25 -10.397 -5.186 -3.499 1.00 0.00 C ATOM 385 CD LYS A 25 -11.667 -5.931 -3.913 1.00 0.00 C ATOM 386 CE LYS A 25 -11.334 -7.402 -4.175 1.00 0.00 C ATOM 387 NZ LYS A 25 -12.509 -8.159 -3.659 1.00 0.00 N ATOM 0 H LYS A 25 -10.542 -2.881 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.896 -5.169 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.294 -5.069 -1.536 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.136 -3.519 -2.338 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.120 -4.463 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.566 -5.886 -3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.420 -5.852 -3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.091 -5.478 -4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.179 -7.589 -5.238 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.418 -7.697 -3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.356 -9.178 -3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.627 -7.967 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.365 -7.862 -4.170 1.00 0.00 H new ATOM 401 N LYS A 26 -8.367 -2.463 -2.825 1.00 0.00 N ATOM 402 CA LYS A 26 -7.377 -1.882 -3.776 1.00 0.00 C ATOM 403 C LYS A 26 -6.011 -1.757 -3.098 1.00 0.00 C ATOM 404 O LYS A 26 -5.040 -2.351 -3.522 1.00 0.00 O ATOM 405 CB LYS A 26 -7.929 -0.500 -4.129 1.00 0.00 C ATOM 406 CG LYS A 26 -7.051 0.142 -5.205 1.00 0.00 C ATOM 407 CD LYS A 26 -7.812 0.178 -6.532 1.00 0.00 C ATOM 408 CE LYS A 26 -6.815 0.234 -7.691 1.00 0.00 C ATOM 409 NZ LYS A 26 -7.039 1.562 -8.327 1.00 0.00 N ATOM 0 H LYS A 26 -9.102 -1.826 -2.520 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.239 -2.502 -4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.955 -0.587 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.953 0.131 -3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.772 1.152 -4.906 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.126 -0.423 -5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.444 -0.705 -6.625 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.470 1.046 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.790 0.135 -7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.987 -0.577 -8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.391 1.675 -9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.021 1.625 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.862 2.314 -7.631 1.00 0.00 H new ATOM 423 N TRP A 27 -5.930 -0.989 -2.045 1.00 0.00 N ATOM 424 CA TRP A 27 -4.630 -0.827 -1.338 1.00 0.00 C ATOM 425 C TRP A 27 -3.926 -2.181 -1.212 1.00 0.00 C ATOM 426 O TRP A 27 -2.728 -2.286 -1.385 1.00 0.00 O ATOM 427 CB TRP A 27 -4.995 -0.282 0.043 1.00 0.00 C ATOM 428 CG TRP A 27 -3.795 0.365 0.656 1.00 0.00 C ATOM 429 CD1 TRP A 27 -3.584 1.699 0.731 1.00 0.00 C ATOM 430 CD2 TRP A 27 -2.641 -0.268 1.281 1.00 0.00 C ATOM 431 NE1 TRP A 27 -2.373 1.925 1.361 1.00 0.00 N ATOM 432 CE2 TRP A 27 -1.754 0.744 1.719 1.00 0.00 C ATOM 433 CE3 TRP A 27 -2.280 -1.609 1.508 1.00 0.00 C ATOM 434 CZ2 TRP A 27 -0.553 0.437 2.360 1.00 0.00 C ATOM 435 CZ3 TRP A 27 -1.072 -1.921 2.152 1.00 0.00 C ATOM 436 CH2 TRP A 27 -0.210 -0.900 2.577 1.00 0.00 C ATOM 0 H TRP A 27 -6.709 -0.467 -1.645 1.00 0.00 H new ATOM 0 HA TRP A 27 -3.949 -0.163 -1.871 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.807 0.440 -0.042 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -5.352 -1.090 0.682 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.251 2.463 0.360 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -1.985 2.851 1.539 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.936 -2.403 1.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 0.107 1.227 2.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.805 -2.954 2.321 1.00 0.00 H new ATOM 0 HH2 TRP A 27 0.718 -1.147 3.071 1.00 0.00 H new ATOM 447 N TRP A 28 -4.662 -3.217 -0.916 1.00 0.00 N ATOM 448 CA TRP A 28 -4.032 -4.563 -0.782 1.00 0.00 C ATOM 449 C TRP A 28 -3.478 -5.021 -2.133 1.00 0.00 C ATOM 450 O TRP A 28 -2.361 -5.489 -2.229 1.00 0.00 O ATOM 451 CB TRP A 28 -5.157 -5.492 -0.321 1.00 0.00 C ATOM 452 CG TRP A 28 -4.742 -6.192 0.933 1.00 0.00 C ATOM 453 CD1 TRP A 28 -4.726 -7.534 1.104 1.00 0.00 C ATOM 454 CD2 TRP A 28 -4.285 -5.613 2.190 1.00 0.00 C ATOM 455 NE1 TRP A 28 -4.289 -7.816 2.386 1.00 0.00 N ATOM 456 CE2 TRP A 28 -4.004 -6.665 3.094 1.00 0.00 C ATOM 457 CE3 TRP A 28 -4.090 -4.291 2.628 1.00 0.00 C ATOM 458 CZ2 TRP A 28 -3.545 -6.414 4.387 1.00 0.00 C ATOM 459 CZ3 TRP A 28 -3.627 -4.035 3.930 1.00 0.00 C ATOM 460 CH2 TRP A 28 -3.356 -5.095 4.807 1.00 0.00 C ATOM 0 H TRP A 28 -5.670 -3.191 -0.761 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.199 -4.558 -0.079 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.068 -4.919 -0.146 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.383 -6.221 -1.099 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.008 -8.265 0.361 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.189 -8.759 2.762 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.297 -3.468 1.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.337 -7.234 5.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.479 -3.016 4.257 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.001 -4.892 5.807 1.00 0.00 H new ATOM 471 N GLN A 29 -4.246 -4.885 -3.180 1.00 0.00 N ATOM 472 CA GLN A 29 -3.754 -5.310 -4.521 1.00 0.00 C ATOM 473 C GLN A 29 -2.431 -4.607 -4.833 1.00 0.00 C ATOM 474 O GLN A 29 -1.404 -5.237 -5.001 1.00 0.00 O ATOM 475 CB GLN A 29 -4.842 -4.869 -5.501 1.00 0.00 C ATOM 476 CG GLN A 29 -4.802 -5.761 -6.744 1.00 0.00 C ATOM 477 CD GLN A 29 -4.432 -4.920 -7.966 1.00 0.00 C ATOM 478 OE1 GLN A 29 -5.230 -4.138 -8.444 1.00 0.00 O ATOM 479 NE2 GLN A 29 -3.246 -5.046 -8.495 1.00 0.00 N ATOM 0 H GLN A 29 -5.190 -4.499 -3.165 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.570 -6.383 -4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.821 -4.932 -5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.691 -3.827 -5.783 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.075 -6.561 -6.607 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.772 -6.235 -6.896 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.576 -5.702 -8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.989 -4.488 -9.309 1.00 0.00 H new ATOM 488 N VAL A 30 -2.447 -3.304 -4.903 1.00 0.00 N ATOM 489 CA VAL A 30 -1.189 -2.561 -5.194 1.00 0.00 C ATOM 490 C VAL A 30 -0.145 -2.873 -4.121 1.00 0.00 C ATOM 491 O VAL A 30 1.045 -2.825 -4.364 1.00 0.00 O ATOM 492 CB VAL A 30 -1.581 -1.084 -5.151 1.00 0.00 C ATOM 493 CG1 VAL A 30 -0.426 -0.233 -5.684 1.00 0.00 C ATOM 494 CG2 VAL A 30 -2.820 -0.860 -6.020 1.00 0.00 C ATOM 0 H VAL A 30 -3.275 -2.723 -4.772 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.754 -2.835 -6.155 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.800 -0.797 -4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.706 0.820 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.458 -0.392 -5.067 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.207 -0.520 -6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.100 0.193 -5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.600 -1.148 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.644 -1.466 -5.642 1.00 0.00 H new ATOM 504 N PHE A 31 -0.584 -3.198 -2.936 1.00 0.00 N ATOM 505 CA PHE A 31 0.379 -3.521 -1.845 1.00 0.00 C ATOM 506 C PHE A 31 1.122 -4.818 -2.174 1.00 0.00 C ATOM 507 O PHE A 31 2.335 -4.868 -2.164 1.00 0.00 O ATOM 508 CB PHE A 31 -0.488 -3.702 -0.591 1.00 0.00 C ATOM 509 CG PHE A 31 0.379 -4.153 0.559 1.00 0.00 C ATOM 510 CD1 PHE A 31 1.688 -3.671 0.681 1.00 0.00 C ATOM 511 CD2 PHE A 31 -0.125 -5.058 1.501 1.00 0.00 C ATOM 512 CE1 PHE A 31 2.493 -4.093 1.746 1.00 0.00 C ATOM 513 CE2 PHE A 31 0.680 -5.479 2.566 1.00 0.00 C ATOM 514 CZ PHE A 31 1.989 -4.997 2.689 1.00 0.00 C ATOM 0 H PHE A 31 -1.569 -3.254 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 31 1.132 -2.744 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.984 -2.764 -0.340 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.271 -4.436 -0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.077 -2.974 -0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.134 -5.431 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.503 -3.721 1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.291 -6.176 3.293 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.610 -5.322 3.511 1.00 0.00 H new ATOM 524 N TYR A 32 0.405 -5.868 -2.470 1.00 0.00 N ATOM 525 CA TYR A 32 1.077 -7.156 -2.802 1.00 0.00 C ATOM 526 C TYR A 32 2.049 -6.954 -3.966 1.00 0.00 C ATOM 527 O TYR A 32 3.161 -7.446 -3.952 1.00 0.00 O ATOM 528 CB TYR A 32 -0.055 -8.102 -3.205 1.00 0.00 C ATOM 529 CG TYR A 32 0.403 -9.532 -3.043 1.00 0.00 C ATOM 530 CD1 TYR A 32 1.390 -10.051 -3.889 1.00 0.00 C ATOM 531 CD2 TYR A 32 -0.158 -10.338 -2.045 1.00 0.00 C ATOM 532 CE1 TYR A 32 1.815 -11.377 -3.739 1.00 0.00 C ATOM 533 CE2 TYR A 32 0.267 -11.663 -1.894 1.00 0.00 C ATOM 534 CZ TYR A 32 1.253 -12.183 -2.741 1.00 0.00 C ATOM 535 OH TYR A 32 1.672 -13.489 -2.593 1.00 0.00 O ATOM 0 H TYR A 32 -0.614 -5.890 -2.496 1.00 0.00 H new ATOM 0 HA TYR A 32 1.656 -7.550 -1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.934 -7.918 -2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.347 -7.917 -4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.824 -9.429 -4.658 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.919 -9.937 -1.392 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.576 -11.778 -4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.166 -12.284 -1.124 1.00 0.00 H new ATOM 0 HH TYR A 32 1.183 -13.908 -1.854 1.00 0.00 H new ATOM 545 N THR A 33 1.640 -6.232 -4.973 1.00 0.00 N ATOM 546 CA THR A 33 2.544 -5.998 -6.136 1.00 0.00 C ATOM 547 C THR A 33 3.726 -5.120 -5.716 1.00 0.00 C ATOM 548 O THR A 33 4.862 -5.389 -6.054 1.00 0.00 O ATOM 549 CB THR A 33 1.680 -5.276 -7.172 1.00 0.00 C ATOM 550 OG1 THR A 33 0.536 -6.066 -7.463 1.00 0.00 O ATOM 551 CG2 THR A 33 2.490 -5.056 -8.450 1.00 0.00 C ATOM 0 H THR A 33 0.721 -5.795 -5.041 1.00 0.00 H new ATOM 0 HA THR A 33 2.960 -6.925 -6.529 1.00 0.00 H new ATOM 0 HB THR A 33 1.365 -4.311 -6.775 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.179 -5.854 -6.827 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.874 -4.542 -9.187 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.368 -4.450 -8.225 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.807 -6.019 -8.850 1.00 0.00 H new ATOM 559 N VAL A 34 3.469 -4.075 -4.979 1.00 0.00 N ATOM 560 CA VAL A 34 4.578 -3.184 -4.536 1.00 0.00 C ATOM 561 C VAL A 34 5.562 -3.965 -3.662 1.00 0.00 C ATOM 562 O VAL A 34 6.761 -3.886 -3.837 1.00 0.00 O ATOM 563 CB VAL A 34 3.900 -2.079 -3.728 1.00 0.00 C ATOM 564 CG1 VAL A 34 4.962 -1.244 -3.015 1.00 0.00 C ATOM 565 CG2 VAL A 34 3.094 -1.181 -4.670 1.00 0.00 C ATOM 0 H VAL A 34 2.539 -3.799 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 34 5.147 -2.782 -5.374 1.00 0.00 H new ATOM 0 HB VAL A 34 3.233 -2.525 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.478 -0.455 -2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.538 -1.883 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.629 -0.797 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.610 -0.392 -4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.762 -0.735 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.336 -1.776 -5.180 1.00 0.00 H new ATOM 575 N VAL A 35 5.064 -4.723 -2.723 1.00 0.00 N ATOM 576 CA VAL A 35 5.973 -5.510 -1.843 1.00 0.00 C ATOM 577 C VAL A 35 6.860 -6.421 -2.694 1.00 0.00 C ATOM 578 O VAL A 35 8.051 -6.520 -2.479 1.00 0.00 O ATOM 579 CB VAL A 35 5.049 -6.338 -0.949 1.00 0.00 C ATOM 580 CG1 VAL A 35 5.873 -7.025 0.140 1.00 0.00 C ATOM 581 CG2 VAL A 35 4.015 -5.418 -0.297 1.00 0.00 C ATOM 0 H VAL A 35 4.069 -4.831 -2.528 1.00 0.00 H new ATOM 0 HA VAL A 35 6.636 -4.874 -1.256 1.00 0.00 H new ATOM 0 HB VAL A 35 4.541 -7.091 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.214 -7.615 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.613 -7.679 -0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.380 -6.271 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.355 -6.006 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.525 -4.666 0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.427 -4.925 -1.071 1.00 0.00 H new ATOM 591 N ASP A 36 6.289 -7.084 -3.664 1.00 0.00 N ATOM 592 CA ASP A 36 7.108 -7.980 -4.528 1.00 0.00 C ATOM 593 C ASP A 36 8.255 -7.187 -5.156 1.00 0.00 C ATOM 594 O ASP A 36 9.406 -7.572 -5.078 1.00 0.00 O ATOM 595 CB ASP A 36 6.146 -8.482 -5.606 1.00 0.00 C ATOM 596 CG ASP A 36 5.414 -9.726 -5.099 1.00 0.00 C ATOM 597 OD1 ASP A 36 6.069 -10.584 -4.530 1.00 0.00 O ATOM 598 OD2 ASP A 36 4.211 -9.800 -5.288 1.00 0.00 O ATOM 0 H ASP A 36 5.296 -7.044 -3.894 1.00 0.00 H new ATOM 0 HA ASP A 36 7.554 -8.804 -3.971 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.428 -7.702 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.695 -8.717 -6.518 1.00 0.00 H new ATOM 603 N TYR A 37 7.953 -6.076 -5.771 1.00 0.00 N ATOM 604 CA TYR A 37 9.031 -5.257 -6.394 1.00 0.00 C ATOM 605 C TYR A 37 10.093 -4.923 -5.344 1.00 0.00 C ATOM 606 O TYR A 37 11.278 -5.030 -5.589 1.00 0.00 O ATOM 607 CB TYR A 37 8.333 -3.987 -6.883 1.00 0.00 C ATOM 608 CG TYR A 37 9.363 -2.919 -7.166 1.00 0.00 C ATOM 609 CD1 TYR A 37 10.422 -3.180 -8.044 1.00 0.00 C ATOM 610 CD2 TYR A 37 9.259 -1.666 -6.549 1.00 0.00 C ATOM 611 CE1 TYR A 37 11.376 -2.190 -8.305 1.00 0.00 C ATOM 612 CE2 TYR A 37 10.213 -0.675 -6.810 1.00 0.00 C ATOM 613 CZ TYR A 37 11.272 -0.937 -7.688 1.00 0.00 C ATOM 614 OH TYR A 37 12.212 0.039 -7.945 1.00 0.00 O ATOM 0 H TYR A 37 7.009 -5.701 -5.869 1.00 0.00 H new ATOM 0 HA TYR A 37 9.536 -5.776 -7.209 1.00 0.00 H new ATOM 0 HB2 TYR A 37 7.758 -4.200 -7.784 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.627 -3.635 -6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.503 -4.146 -8.520 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.442 -1.464 -5.872 1.00 0.00 H new ATOM 0 HE1 TYR A 37 12.193 -2.392 -8.982 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.132 0.291 -6.334 1.00 0.00 H new ATOM 0 HH TYR A 37 11.991 0.848 -7.437 1.00 0.00 H new ATOM 624 N VAL A 38 9.675 -4.525 -4.173 1.00 0.00 N ATOM 625 CA VAL A 38 10.661 -4.191 -3.107 1.00 0.00 C ATOM 626 C VAL A 38 11.574 -5.391 -2.849 1.00 0.00 C ATOM 627 O VAL A 38 12.777 -5.256 -2.747 1.00 0.00 O ATOM 628 CB VAL A 38 9.819 -3.880 -1.869 1.00 0.00 C ATOM 629 CG1 VAL A 38 10.734 -3.729 -0.653 1.00 0.00 C ATOM 630 CG2 VAL A 38 9.049 -2.576 -2.092 1.00 0.00 C ATOM 0 H VAL A 38 8.696 -4.417 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 38 11.302 -3.353 -3.381 1.00 0.00 H new ATOM 0 HB VAL A 38 9.115 -4.694 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.133 -3.507 0.229 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.284 -4.657 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.438 -2.915 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.448 -2.353 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.753 -1.763 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.396 -2.683 -2.958 1.00 0.00 H new ATOM 640 N ASN A 39 11.014 -6.566 -2.750 1.00 0.00 N ATOM 641 CA ASN A 39 11.857 -7.771 -2.508 1.00 0.00 C ATOM 642 C ASN A 39 12.924 -7.879 -3.596 1.00 0.00 C ATOM 643 O ASN A 39 14.075 -8.167 -3.330 1.00 0.00 O ATOM 644 CB ASN A 39 10.891 -8.955 -2.578 1.00 0.00 C ATOM 645 CG ASN A 39 11.686 -10.261 -2.624 1.00 0.00 C ATOM 646 OD1 ASN A 39 12.892 -10.257 -2.476 1.00 0.00 O ATOM 647 ND2 ASN A 39 11.057 -11.387 -2.823 1.00 0.00 N ATOM 0 H ASN A 39 10.012 -6.743 -2.826 1.00 0.00 H new ATOM 0 HA ASN A 39 12.376 -7.733 -1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.230 -8.950 -1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 39 10.259 -8.870 -3.462 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.578 -12.263 -2.854 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.045 -11.391 -2.947 1.00 0.00 H new ATOM 654 N GLN A 40 12.548 -7.640 -4.821 1.00 0.00 N ATOM 655 CA GLN A 40 13.538 -7.718 -5.932 1.00 0.00 C ATOM 656 C GLN A 40 14.663 -6.709 -5.693 1.00 0.00 C ATOM 657 O GLN A 40 15.821 -6.986 -5.937 1.00 0.00 O ATOM 658 CB GLN A 40 12.750 -7.357 -7.192 1.00 0.00 C ATOM 659 CG GLN A 40 13.720 -7.126 -8.352 1.00 0.00 C ATOM 660 CD GLN A 40 14.285 -8.468 -8.820 1.00 0.00 C ATOM 661 OE1 GLN A 40 14.555 -9.339 -8.018 1.00 0.00 O ATOM 662 NE2 GLN A 40 14.477 -8.672 -10.095 1.00 0.00 N ATOM 0 H GLN A 40 11.599 -7.394 -5.101 1.00 0.00 H new ATOM 0 HA GLN A 40 13.999 -8.702 -6.013 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.054 -8.158 -7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.155 -6.460 -7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 40 13.207 -6.628 -9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.530 -6.468 -8.037 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.250 -7.940 -10.768 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.854 -9.563 -10.418 1.00 0.00 H new ATOM 671 N ILE A 41 14.331 -5.541 -5.212 1.00 0.00 N ATOM 672 CA ILE A 41 15.383 -4.518 -4.951 1.00 0.00 C ATOM 673 C ILE A 41 16.363 -5.037 -3.896 1.00 0.00 C ATOM 674 O ILE A 41 17.558 -4.844 -3.996 1.00 0.00 O ATOM 675 CB ILE A 41 14.630 -3.294 -4.425 1.00 0.00 C ATOM 676 CG1 ILE A 41 13.583 -2.851 -5.451 1.00 0.00 C ATOM 677 CG2 ILE A 41 15.618 -2.152 -4.184 1.00 0.00 C ATOM 678 CD1 ILE A 41 14.210 -2.816 -6.846 1.00 0.00 C ATOM 0 H ILE A 41 13.379 -5.252 -4.989 1.00 0.00 H new ATOM 0 HA ILE A 41 15.963 -4.283 -5.843 1.00 0.00 H new ATOM 0 HB ILE A 41 14.133 -3.552 -3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.736 -3.537 -5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 41 13.198 -1.865 -5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 41 15.082 -1.280 -3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 41 16.362 -2.463 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 41 16.115 -1.898 -5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.462 -2.500 -7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 41 15.043 -2.113 -6.853 1.00 0.00 H new ATOM 0 HD13 ILE A 41 14.573 -3.810 -7.107 1.00 0.00 H new ATOM 690 N ILE A 42 15.864 -5.698 -2.888 1.00 0.00 N ATOM 691 CA ILE A 42 16.765 -6.234 -1.828 1.00 0.00 C ATOM 692 C ILE A 42 17.744 -7.242 -2.435 1.00 0.00 C ATOM 693 O ILE A 42 18.932 -7.196 -2.186 1.00 0.00 O ATOM 694 CB ILE A 42 15.837 -6.924 -0.828 1.00 0.00 C ATOM 695 CG1 ILE A 42 14.766 -5.936 -0.358 1.00 0.00 C ATOM 696 CG2 ILE A 42 16.649 -7.404 0.376 1.00 0.00 C ATOM 697 CD1 ILE A 42 15.426 -4.613 0.035 1.00 0.00 C ATOM 0 H ILE A 42 14.872 -5.890 -2.752 1.00 0.00 H new ATOM 0 HA ILE A 42 17.360 -5.453 -1.356 1.00 0.00 H new ATOM 0 HB ILE A 42 15.359 -7.778 -1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 42 14.037 -5.769 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 42 14.223 -6.350 0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.987 -7.896 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 42 17.411 -8.108 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 42 17.128 -6.550 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 42 14.662 -3.911 0.369 1.00 0.00 H new ATOM 0 HD12 ILE A 42 16.137 -4.787 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 42 15.949 -4.197 -0.826 1.00 0.00 H new ATOM 709 N GLN A 43 17.253 -8.152 -3.231 1.00 0.00 N ATOM 710 CA GLN A 43 18.156 -9.161 -3.855 1.00 0.00 C ATOM 711 C GLN A 43 19.215 -8.463 -4.712 1.00 0.00 C ATOM 712 O GLN A 43 20.351 -8.887 -4.781 1.00 0.00 O ATOM 713 CB GLN A 43 17.243 -10.023 -4.728 1.00 0.00 C ATOM 714 CG GLN A 43 17.817 -11.438 -4.827 1.00 0.00 C ATOM 715 CD GLN A 43 17.024 -12.239 -5.861 1.00 0.00 C ATOM 716 OE1 GLN A 43 16.007 -11.786 -6.349 1.00 0.00 O ATOM 717 NE2 GLN A 43 17.449 -13.420 -6.219 1.00 0.00 N ATOM 0 H GLN A 43 16.267 -8.241 -3.476 1.00 0.00 H new ATOM 0 HA GLN A 43 18.689 -9.755 -3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 43 16.240 -10.055 -4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 43 17.154 -9.585 -5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 43 18.868 -11.396 -5.112 1.00 0.00 H new ATOM 0 HG3 GLN A 43 17.769 -11.930 -3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 43 18.302 -13.801 -5.810 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.928 -13.962 -6.908 1.00 0.00 H new ATOM 726 N LEU A 44 18.851 -7.393 -5.366 1.00 0.00 N ATOM 727 CA LEU A 44 19.837 -6.668 -6.218 1.00 0.00 C ATOM 728 C LEU A 44 20.824 -5.892 -5.342 1.00 0.00 C ATOM 729 O LEU A 44 22.015 -5.891 -5.584 1.00 0.00 O ATOM 730 CB LEU A 44 18.999 -5.707 -7.062 1.00 0.00 C ATOM 731 CG LEU A 44 18.797 -6.296 -8.458 1.00 0.00 C ATOM 732 CD1 LEU A 44 18.064 -5.284 -9.339 1.00 0.00 C ATOM 733 CD2 LEU A 44 20.159 -6.617 -9.077 1.00 0.00 C ATOM 0 H LEU A 44 17.914 -6.990 -5.347 1.00 0.00 H new ATOM 0 HA LEU A 44 20.426 -7.346 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 44 18.034 -5.535 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 44 19.497 -4.740 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 44 18.205 -7.209 -8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 44 17.920 -5.705 -10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 44 17.094 -5.054 -8.899 1.00 0.00 H new ATOM 0 HD13 LEU A 44 18.655 -4.371 -9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 44 20.016 -7.037 -10.073 1.00 0.00 H new ATOM 0 HD22 LEU A 44 20.750 -5.704 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 44 20.682 -7.339 -8.450 1.00 0.00 H new ATOM 745 N MET A 45 20.340 -5.233 -4.326 1.00 0.00 N ATOM 746 CA MET A 45 21.253 -4.459 -3.438 1.00 0.00 C ATOM 747 C MET A 45 22.442 -5.327 -3.019 1.00 0.00 C ATOM 748 O MET A 45 23.575 -4.888 -3.024 1.00 0.00 O ATOM 749 CB MET A 45 20.404 -4.089 -2.221 1.00 0.00 C ATOM 750 CG MET A 45 20.579 -2.601 -1.908 1.00 0.00 C ATOM 751 SD MET A 45 20.131 -2.291 -0.183 1.00 0.00 S ATOM 752 CE MET A 45 21.687 -1.515 0.319 1.00 0.00 C ATOM 0 H MET A 45 19.353 -5.197 -4.072 1.00 0.00 H new ATOM 0 HA MET A 45 21.661 -3.577 -3.932 1.00 0.00 H new ATOM 0 HB2 MET A 45 19.354 -4.309 -2.416 1.00 0.00 H new ATOM 0 HB3 MET A 45 20.701 -4.690 -1.361 1.00 0.00 H new ATOM 0 HG2 MET A 45 21.611 -2.300 -2.087 1.00 0.00 H new ATOM 0 HG3 MET A 45 19.953 -2.003 -2.571 1.00 0.00 H new ATOM 0 HE1 MET A 45 21.512 -0.873 1.182 1.00 0.00 H new ATOM 0 HE2 MET A 45 22.410 -2.287 0.581 1.00 0.00 H new ATOM 0 HE3 MET A 45 22.077 -0.917 -0.504 1.00 0.00 H new ATOM 762 N SER A 46 22.193 -6.556 -2.658 1.00 0.00 N ATOM 763 CA SER A 46 23.310 -7.451 -2.241 1.00 0.00 C ATOM 764 C SER A 46 24.488 -7.312 -3.209 1.00 0.00 C ATOM 765 O SER A 46 25.633 -7.477 -2.837 1.00 0.00 O ATOM 766 CB SER A 46 22.730 -8.863 -2.302 1.00 0.00 C ATOM 767 OG SER A 46 23.787 -9.809 -2.221 1.00 0.00 O ATOM 0 H SER A 46 21.265 -6.979 -2.634 1.00 0.00 H new ATOM 0 HA SER A 46 23.685 -7.208 -1.247 1.00 0.00 H new ATOM 0 HB2 SER A 46 22.027 -9.015 -1.483 1.00 0.00 H new ATOM 0 HB3 SER A 46 22.174 -9.000 -3.229 1.00 0.00 H new ATOM 0 HG SER A 46 23.418 -10.716 -2.258 1.00 0.00 H new ATOM 773 N LYS A 47 24.216 -7.009 -4.449 1.00 0.00 N ATOM 774 CA LYS A 47 25.321 -6.859 -5.440 1.00 0.00 C ATOM 775 C LYS A 47 26.267 -5.736 -5.009 1.00 0.00 C ATOM 776 O LYS A 47 27.460 -5.798 -5.228 1.00 0.00 O ATOM 777 CB LYS A 47 24.628 -6.502 -6.755 1.00 0.00 C ATOM 778 CG LYS A 47 23.564 -7.555 -7.076 1.00 0.00 C ATOM 779 CD LYS A 47 24.125 -8.557 -8.087 1.00 0.00 C ATOM 780 CE LYS A 47 22.987 -9.417 -8.640 1.00 0.00 C ATOM 781 NZ LYS A 47 22.881 -9.037 -10.076 1.00 0.00 N ATOM 0 H LYS A 47 23.277 -6.859 -4.819 1.00 0.00 H new ATOM 0 HA LYS A 47 25.922 -7.764 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 47 24.168 -5.517 -6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 47 25.360 -6.452 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 47 23.262 -8.072 -6.165 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.673 -7.075 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 47 24.624 -8.029 -8.900 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.874 -9.189 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.204 -10.479 -8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 47 22.054 -9.225 -8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 22.120 -9.586 -10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 22.667 -8.022 -10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 23.782 -9.238 -10.556 1.00 0.00 H new ATOM 795 N ARG A 48 25.744 -4.711 -4.392 1.00 0.00 N ATOM 796 CA ARG A 48 26.614 -3.585 -3.943 1.00 0.00 C ATOM 797 C ARG A 48 26.512 -3.418 -2.425 1.00 0.00 C ATOM 798 O ARG A 48 27.390 -3.816 -1.686 1.00 0.00 O ATOM 799 CB ARG A 48 26.067 -2.340 -4.656 1.00 0.00 C ATOM 800 CG ARG A 48 26.189 -2.488 -6.182 1.00 0.00 C ATOM 801 CD ARG A 48 27.509 -3.177 -6.542 1.00 0.00 C ATOM 802 NE ARG A 48 27.896 -2.601 -7.860 1.00 0.00 N ATOM 803 CZ ARG A 48 27.844 -3.338 -8.935 1.00 0.00 C ATOM 804 NH1 ARG A 48 28.535 -4.443 -9.003 1.00 0.00 N ATOM 805 NH2 ARG A 48 27.100 -2.971 -9.942 1.00 0.00 N ATOM 0 H ARG A 48 24.752 -4.604 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 48 27.664 -3.758 -4.179 1.00 0.00 H new ATOM 0 HB2 ARG A 48 25.023 -2.188 -4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.614 -1.457 -4.327 1.00 0.00 H new ATOM 0 HG2 ARG A 48 25.350 -3.068 -6.567 1.00 0.00 H new ATOM 0 HG3 ARG A 48 26.141 -1.507 -6.655 1.00 0.00 H new ATOM 0 HD2 ARG A 48 28.273 -2.986 -5.788 1.00 0.00 H new ATOM 0 HD3 ARG A 48 27.386 -4.258 -6.604 1.00 0.00 H new ATOM 0 HE ARG A 48 28.202 -1.630 -7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 48 29.116 -4.731 -8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 48 28.494 -5.019 -9.844 1.00 0.00 H new ATOM 0 HH21 ARG A 48 26.559 -2.108 -9.889 1.00 0.00 H new ATOM 0 HH22 ARG A 48 27.059 -3.547 -10.783 1.00 0.00 H new ATOM 819 N SER A 49 25.445 -2.833 -1.955 1.00 0.00 N ATOM 820 CA SER A 49 25.286 -2.642 -0.485 1.00 0.00 C ATOM 821 C SER A 49 26.568 -2.058 0.114 1.00 0.00 C ATOM 822 O SER A 49 26.928 -2.347 1.238 1.00 0.00 O ATOM 823 CB SER A 49 25.024 -4.041 0.070 1.00 0.00 C ATOM 824 OG SER A 49 26.256 -4.623 0.477 1.00 0.00 O ATOM 0 H SER A 49 24.676 -2.479 -2.525 1.00 0.00 H new ATOM 0 HA SER A 49 24.479 -1.950 -0.243 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.337 -3.987 0.915 1.00 0.00 H new ATOM 0 HB3 SER A 49 24.548 -4.662 -0.688 1.00 0.00 H new ATOM 0 HG SER A 49 26.850 -4.707 -0.298 1.00 0.00 H new ATOM 830 N ARG A 50 27.261 -1.238 -0.628 1.00 0.00 N ATOM 831 CA ARG A 50 28.520 -0.636 -0.100 1.00 0.00 C ATOM 832 C ARG A 50 28.466 0.889 -0.215 1.00 0.00 C ATOM 833 O ARG A 50 29.043 1.602 0.582 1.00 0.00 O ATOM 834 CB ARG A 50 29.630 -1.202 -0.986 1.00 0.00 C ATOM 835 CG ARG A 50 29.223 -1.082 -2.456 1.00 0.00 C ATOM 836 CD ARG A 50 30.385 -1.529 -3.346 1.00 0.00 C ATOM 837 NE ARG A 50 30.771 -0.312 -4.113 1.00 0.00 N ATOM 838 CZ ARG A 50 30.967 -0.387 -5.401 1.00 0.00 C ATOM 839 NH1 ARG A 50 29.951 -0.515 -6.209 1.00 0.00 N ATOM 840 NH2 ARG A 50 32.180 -0.334 -5.880 1.00 0.00 N ATOM 0 H ARG A 50 27.011 -0.959 -1.576 1.00 0.00 H new ATOM 0 HA ARG A 50 28.680 -0.869 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 50 30.561 -0.662 -0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 50 29.815 -2.246 -0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 50 28.344 -1.696 -2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 50 28.950 -0.052 -2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 50 31.218 -1.901 -2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 50 30.084 -2.337 -4.013 1.00 0.00 H new ATOM 0 HE ARG A 50 30.882 0.580 -3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 50 29.003 -0.556 -5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 50 30.104 -0.574 -7.216 1.00 0.00 H new ATOM 0 HH21 ARG A 50 32.974 -0.234 -5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 50 32.334 -0.393 -6.887 1.00 0.00 H new ATOM 854 N SER A 51 27.777 1.396 -1.201 1.00 0.00 N ATOM 855 CA SER A 51 27.688 2.875 -1.365 1.00 0.00 C ATOM 856 C SER A 51 27.437 3.546 -0.012 1.00 0.00 C ATOM 857 O SER A 51 28.209 4.371 0.436 1.00 0.00 O ATOM 858 CB SER A 51 26.502 3.098 -2.302 1.00 0.00 C ATOM 859 OG SER A 51 26.982 3.331 -3.620 1.00 0.00 O ATOM 0 H SER A 51 27.272 0.850 -1.900 1.00 0.00 H new ATOM 0 HA SER A 51 28.609 3.302 -1.763 1.00 0.00 H new ATOM 0 HB2 SER A 51 25.846 2.228 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 51 25.910 3.948 -1.962 1.00 0.00 H new ATOM 0 HG SER A 51 26.223 3.473 -4.224 1.00 0.00 H new ATOM 865 N LEU A 52 26.363 3.199 0.643 1.00 0.00 N ATOM 866 CA LEU A 52 26.065 3.819 1.967 1.00 0.00 C ATOM 867 C LEU A 52 27.251 3.636 2.915 1.00 0.00 C ATOM 868 O LEU A 52 27.480 4.437 3.800 1.00 0.00 O ATOM 869 CB LEU A 52 24.838 3.069 2.489 1.00 0.00 C ATOM 870 CG LEU A 52 23.638 3.366 1.589 1.00 0.00 C ATOM 871 CD1 LEU A 52 22.578 2.278 1.776 1.00 0.00 C ATOM 872 CD2 LEU A 52 23.043 4.725 1.965 1.00 0.00 C ATOM 0 H LEU A 52 25.679 2.514 0.320 1.00 0.00 H new ATOM 0 HA LEU A 52 25.884 4.891 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 52 25.035 1.997 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 52 24.622 3.372 3.513 1.00 0.00 H new ATOM 0 HG LEU A 52 23.961 3.385 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 52 21.722 2.489 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 52 23.000 1.309 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.255 2.260 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.187 4.938 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 52 22.720 4.705 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 52 23.797 5.501 1.833 1.00 0.00 H new ATOM 884 N ASN A 53 28.013 2.592 2.735 1.00 0.00 N ATOM 885 CA ASN A 53 29.189 2.370 3.628 1.00 0.00 C ATOM 886 C ASN A 53 30.343 3.275 3.193 1.00 0.00 C ATOM 887 O ASN A 53 31.194 3.636 3.982 1.00 0.00 O ATOM 888 CB ASN A 53 29.566 0.892 3.458 1.00 0.00 C ATOM 889 CG ASN A 53 30.643 0.522 4.479 1.00 0.00 C ATOM 890 OD1 ASN A 53 31.080 1.356 5.247 1.00 0.00 O ATOM 891 ND2 ASN A 53 31.093 -0.702 4.520 1.00 0.00 N ATOM 0 H ASN A 53 27.875 1.886 2.012 1.00 0.00 H new ATOM 0 HA ASN A 53 28.966 2.603 4.669 1.00 0.00 H new ATOM 0 HB2 ASN A 53 28.687 0.263 3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 53 29.931 0.712 2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 53 31.812 -0.959 5.197 1.00 0.00 H new ATOM 0 HD22 ASN A 53 30.726 -1.402 3.875 1.00 0.00 H new ATOM 898 N SER A 54 30.373 3.651 1.943 1.00 0.00 N ATOM 899 CA SER A 54 31.466 4.541 1.461 1.00 0.00 C ATOM 900 C SER A 54 31.213 5.972 1.938 1.00 0.00 C ATOM 901 O SER A 54 32.132 6.720 2.208 1.00 0.00 O ATOM 902 CB SER A 54 31.399 4.462 -0.064 1.00 0.00 C ATOM 903 OG SER A 54 32.530 5.121 -0.618 1.00 0.00 O ATOM 0 H SER A 54 29.689 3.381 1.236 1.00 0.00 H new ATOM 0 HA SER A 54 32.445 4.244 1.837 1.00 0.00 H new ATOM 0 HB2 SER A 54 31.377 3.421 -0.385 1.00 0.00 H new ATOM 0 HB3 SER A 54 30.481 4.926 -0.424 1.00 0.00 H new ATOM 0 HG SER A 54 32.491 5.071 -1.596 1.00 0.00 H new ATOM 909 N ALA A 55 29.970 6.356 2.049 1.00 0.00 N ATOM 910 CA ALA A 55 29.655 7.735 2.515 1.00 0.00 C ATOM 911 C ALA A 55 29.792 7.816 4.037 1.00 0.00 C ATOM 912 O ALA A 55 30.328 8.766 4.573 1.00 0.00 O ATOM 913 CB ALA A 55 28.205 7.975 2.093 1.00 0.00 C ATOM 0 H ALA A 55 29.160 5.774 1.837 1.00 0.00 H new ATOM 0 HA ALA A 55 30.329 8.480 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 55 27.897 8.974 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 55 28.122 7.888 1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 55 27.561 7.234 2.566 1.00 0.00 H new ATOM 919 N ALA A 56 29.316 6.822 4.738 1.00 0.00 N ATOM 920 CA ALA A 56 29.423 6.840 6.225 1.00 0.00 C ATOM 921 C ALA A 56 30.891 6.748 6.647 1.00 0.00 C ATOM 922 O ALA A 56 31.311 7.360 7.609 1.00 0.00 O ATOM 923 CB ALA A 56 28.650 5.607 6.693 1.00 0.00 C ATOM 0 H ALA A 56 28.858 5.999 4.345 1.00 0.00 H new ATOM 0 HA ALA A 56 29.024 7.757 6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 56 28.682 5.549 7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 56 27.614 5.681 6.364 1.00 0.00 H new ATOM 0 HB3 ALA A 56 29.103 4.711 6.268 1.00 0.00 H new ATOM 929 N PHE A 57 31.676 5.987 5.933 1.00 0.00 N ATOM 930 CA PHE A 57 33.117 5.856 6.293 1.00 0.00 C ATOM 931 C PHE A 57 33.917 7.020 5.700 1.00 0.00 C ATOM 932 O PHE A 57 34.976 7.368 6.184 1.00 0.00 O ATOM 933 CB PHE A 57 33.561 4.530 5.675 1.00 0.00 C ATOM 934 CG PHE A 57 34.620 3.898 6.546 1.00 0.00 C ATOM 935 CD1 PHE A 57 35.935 4.375 6.507 1.00 0.00 C ATOM 936 CD2 PHE A 57 34.285 2.834 7.393 1.00 0.00 C ATOM 937 CE1 PHE A 57 36.917 3.788 7.315 1.00 0.00 C ATOM 938 CE2 PHE A 57 35.267 2.248 8.201 1.00 0.00 C ATOM 939 CZ PHE A 57 36.582 2.725 8.162 1.00 0.00 C ATOM 0 H PHE A 57 31.382 5.451 5.117 1.00 0.00 H new ATOM 0 HA PHE A 57 33.277 5.876 7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 57 32.708 3.859 5.577 1.00 0.00 H new ATOM 0 HB3 PHE A 57 33.953 4.697 4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 57 36.193 5.196 5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 57 33.270 2.466 7.423 1.00 0.00 H new ATOM 0 HE1 PHE A 57 37.932 4.155 7.285 1.00 0.00 H new ATOM 0 HE2 PHE A 57 35.009 1.428 8.855 1.00 0.00 H new ATOM 0 HZ PHE A 57 37.339 2.273 8.786 1.00 0.00 H new ATOM 949 N TYR A 58 33.418 7.624 4.656 1.00 0.00 N ATOM 950 CA TYR A 58 34.150 8.764 4.034 1.00 0.00 C ATOM 951 C TYR A 58 33.693 10.089 4.652 1.00 0.00 C ATOM 952 O TYR A 58 34.269 11.130 4.408 1.00 0.00 O ATOM 953 CB TYR A 58 33.781 8.710 2.551 1.00 0.00 C ATOM 954 CG TYR A 58 34.602 9.724 1.790 1.00 0.00 C ATOM 955 CD1 TYR A 58 35.966 9.500 1.573 1.00 0.00 C ATOM 956 CD2 TYR A 58 33.998 10.889 1.302 1.00 0.00 C ATOM 957 CE1 TYR A 58 36.727 10.440 0.868 1.00 0.00 C ATOM 958 CE2 TYR A 58 34.758 11.830 0.597 1.00 0.00 C ATOM 959 CZ TYR A 58 36.123 11.605 0.381 1.00 0.00 C ATOM 960 OH TYR A 58 36.873 12.532 -0.314 1.00 0.00 O ATOM 0 H TYR A 58 32.536 7.378 4.207 1.00 0.00 H new ATOM 0 HA TYR A 58 35.227 8.696 4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 58 33.962 7.710 2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 58 32.718 8.916 2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 58 36.432 8.601 1.950 1.00 0.00 H new ATOM 0 HD2 TYR A 58 32.945 11.062 1.470 1.00 0.00 H new ATOM 0 HE1 TYR A 58 37.780 10.266 0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 58 34.292 12.728 0.220 1.00 0.00 H new ATOM 0 HH TYR A 58 36.301 13.281 -0.582 1.00 0.00 H new ATOM 970 N TYR A 59 32.663 10.058 5.452 1.00 0.00 N ATOM 971 CA TYR A 59 32.173 11.318 6.085 1.00 0.00 C ATOM 972 C TYR A 59 32.387 11.266 7.602 1.00 0.00 C ATOM 973 O TYR A 59 31.895 12.097 8.338 1.00 0.00 O ATOM 974 CB TYR A 59 30.680 11.378 5.747 1.00 0.00 C ATOM 975 CG TYR A 59 29.993 12.378 6.647 1.00 0.00 C ATOM 976 CD1 TYR A 59 30.206 13.749 6.462 1.00 0.00 C ATOM 977 CD2 TYR A 59 29.143 11.933 7.667 1.00 0.00 C ATOM 978 CE1 TYR A 59 29.570 14.675 7.296 1.00 0.00 C ATOM 979 CE2 TYR A 59 28.507 12.859 8.502 1.00 0.00 C ATOM 980 CZ TYR A 59 28.720 14.230 8.316 1.00 0.00 C ATOM 981 OH TYR A 59 28.093 15.144 9.139 1.00 0.00 O ATOM 0 H TYR A 59 32.139 9.217 5.695 1.00 0.00 H new ATOM 0 HA TYR A 59 32.705 12.198 5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 59 30.545 11.661 4.703 1.00 0.00 H new ATOM 0 HB3 TYR A 59 30.230 10.393 5.871 1.00 0.00 H new ATOM 0 HD1 TYR A 59 30.861 14.092 5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 59 28.978 10.875 7.809 1.00 0.00 H new ATOM 0 HE1 TYR A 59 29.735 15.733 7.153 1.00 0.00 H new ATOM 0 HE2 TYR A 59 27.852 12.516 9.289 1.00 0.00 H new ATOM 0 HH TYR A 59 27.538 14.669 9.793 1.00 0.00 H new ATOM 991 N ARG A 60 33.123 10.297 8.075 1.00 0.00 N ATOM 992 CA ARG A 60 33.369 10.196 9.543 1.00 0.00 C ATOM 993 C ARG A 60 34.741 9.572 9.808 1.00 0.00 C ATOM 994 O ARG A 60 34.989 9.019 10.862 1.00 0.00 O ATOM 995 CB ARG A 60 32.256 9.290 10.071 1.00 0.00 C ATOM 996 CG ARG A 60 31.752 9.828 11.412 1.00 0.00 C ATOM 997 CD ARG A 60 32.943 10.096 12.335 1.00 0.00 C ATOM 998 NE ARG A 60 32.387 10.908 13.453 1.00 0.00 N ATOM 999 CZ ARG A 60 33.147 11.766 14.076 1.00 0.00 C ATOM 1000 NH1 ARG A 60 33.855 11.385 15.104 1.00 0.00 N ATOM 1001 NH2 ARG A 60 33.198 13.006 13.673 1.00 0.00 N ATOM 0 H ARG A 60 33.564 9.572 7.510 1.00 0.00 H new ATOM 0 HA ARG A 60 33.365 11.171 10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 60 31.437 9.247 9.353 1.00 0.00 H new ATOM 0 HB3 ARG A 60 32.628 8.272 10.192 1.00 0.00 H new ATOM 0 HG2 ARG A 60 31.184 10.746 11.258 1.00 0.00 H new ATOM 0 HG3 ARG A 60 31.075 9.109 11.873 1.00 0.00 H new ATOM 0 HD2 ARG A 60 33.377 9.165 12.701 1.00 0.00 H new ATOM 0 HD3 ARG A 60 33.735 10.633 11.812 1.00 0.00 H new ATOM 0 HE ARG A 60 31.412 10.793 13.731 1.00 0.00 H new ATOM 0 HH11 ARG A 60 33.814 10.416 15.420 1.00 0.00 H new ATOM 0 HH12 ARG A 60 34.449 12.056 15.591 1.00 0.00 H new ATOM 0 HH21 ARG A 60 32.644 13.305 12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 60 33.792 13.677 14.160 1.00 0.00 H new ATOM 1015 N VAL A 61 35.635 9.655 8.861 1.00 0.00 N ATOM 1016 CA VAL A 61 36.990 9.065 9.061 1.00 0.00 C ATOM 1017 C VAL A 61 37.958 9.615 8.006 1.00 0.00 C ATOM 1018 O VAL A 61 37.667 9.469 6.830 1.00 0.00 O ATOM 1019 CB VAL A 61 36.784 7.550 8.898 1.00 0.00 C ATOM 1020 CG1 VAL A 61 38.070 6.875 8.397 1.00 0.00 C ATOM 1021 CG2 VAL A 61 36.394 6.947 10.249 1.00 0.00 C ATOM 1022 OXT VAL A 61 38.972 10.171 8.394 1.00 0.00 O ATOM 0 H VAL A 61 35.486 10.105 7.958 1.00 0.00 H new ATOM 0 HA VAL A 61 37.421 9.307 10.033 1.00 0.00 H new ATOM 0 HB VAL A 61 35.994 7.382 8.166 1.00 0.00 H new ATOM 0 HG11 VAL A 61 37.900 5.804 8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 61 38.350 7.297 7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 61 38.873 7.045 9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 61 36.247 5.873 10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 61 37.188 7.132 10.973 1.00 0.00 H new ATOM 0 HG23 VAL A 61 35.469 7.406 10.599 1.00 0.00 H new TER 1032 VAL A 61