USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 899 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 18 THR OG1 : rot 180:sc= 0.148 USER MOD Set 1.2: A 21 SER OG : rot 92:sc= 0.245 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.208 (180deg=-0.339) USER MOD Single : A 6 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0584) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0559 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 158:sc= 1.14 USER MOD Single : A 17 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.3!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -164:sc= -0.0261 (180deg=-0.278) USER MOD Single : A 40 TYR OH : rot 115:sc= -1.52 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 141:sc= 1.06 (180deg=0.0772) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0.765 K(o=0.76,f=-5.7!) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= -0.0181 (180deg=-0.177) USER MOD Single : A 62 THR OG1 : rot -110:sc= 0 USER MOD Single : A 64 THR OG1 : rot -86:sc= -0.306! USER MOD Single : A 67 LYS NZ :NH3+ 142:sc= 0.44 (180deg=0.018) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0289 K(o=-0.029,f=-3.6) USER MOD Single : A 85 LYS NZ :NH3+ -171:sc=-0.00263 (180deg=-0.0909) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.048 -15.524 -16.783 1.00 0.00 N ATOM 2 CA MET A 1 -17.744 -16.814 -17.458 1.00 0.00 C ATOM 3 C MET A 1 -16.240 -16.989 -17.641 1.00 0.00 C ATOM 4 O MET A 1 -15.781 -17.983 -18.207 1.00 0.00 O ATOM 5 CB MET A 1 -18.449 -16.877 -18.819 1.00 0.00 C ATOM 6 CG MET A 1 -18.084 -15.736 -19.757 1.00 0.00 C ATOM 7 SD MET A 1 -18.959 -15.824 -21.331 1.00 0.00 S ATOM 8 CE MET A 1 -18.281 -14.400 -22.176 1.00 0.00 C ATOM 0 H1 MET A 1 -19.077 -15.370 -16.775 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.694 -15.552 -15.805 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.586 -14.746 -17.296 1.00 0.00 H new ATOM 0 HA MET A 1 -18.111 -17.624 -16.828 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.203 -17.823 -19.301 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.527 -16.872 -18.659 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.310 -14.786 -19.273 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.010 -15.752 -19.941 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.726 -14.319 -23.168 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.502 -13.498 -21.605 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.201 -14.513 -22.271 1.00 0.00 H new ATOM 20 N ALA A 2 -15.479 -16.019 -17.152 1.00 0.00 N ATOM 21 CA ALA A 2 -14.026 -16.057 -17.258 1.00 0.00 C ATOM 22 C ALA A 2 -13.376 -15.780 -15.904 1.00 0.00 C ATOM 23 O ALA A 2 -13.931 -15.046 -15.085 1.00 0.00 O ATOM 24 CB ALA A 2 -13.550 -15.048 -18.294 1.00 0.00 C ATOM 0 H ALA A 2 -15.845 -15.194 -16.677 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.729 -17.056 -17.578 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -12.463 -15.085 -18.365 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.985 -15.289 -19.264 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.860 -14.047 -17.996 1.00 0.00 H new ATOM 30 N PRO A 3 -12.193 -16.371 -15.651 1.00 0.00 N ATOM 31 CA PRO A 3 -11.463 -16.180 -14.391 1.00 0.00 C ATOM 32 C PRO A 3 -10.855 -14.786 -14.266 1.00 0.00 C ATOM 33 O PRO A 3 -10.611 -14.107 -15.267 1.00 0.00 O ATOM 34 CB PRO A 3 -10.368 -17.243 -14.453 1.00 0.00 C ATOM 35 CG PRO A 3 -10.135 -17.437 -15.904 1.00 0.00 C ATOM 36 CD PRO A 3 -11.481 -17.291 -16.559 1.00 0.00 C ATOM 0 HA PRO A 3 -12.119 -16.273 -13.525 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.462 -16.913 -13.944 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.684 -18.169 -13.973 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.431 -16.699 -16.289 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.708 -18.420 -16.103 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.398 -16.881 -17.565 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.994 -18.249 -16.646 1.00 0.00 H new ATOM 44 N LEU A 4 -10.607 -14.365 -13.032 1.00 0.00 N ATOM 45 CA LEU A 4 -10.035 -13.051 -12.778 1.00 0.00 C ATOM 46 C LEU A 4 -8.560 -13.168 -12.411 1.00 0.00 C ATOM 47 O LEU A 4 -8.168 -14.053 -11.649 1.00 0.00 O ATOM 48 CB LEU A 4 -10.803 -12.344 -11.657 1.00 0.00 C ATOM 49 CG LEU A 4 -12.308 -12.186 -11.899 1.00 0.00 C ATOM 50 CD1 LEU A 4 -12.970 -11.490 -10.720 1.00 0.00 C ATOM 51 CD2 LEU A 4 -12.568 -11.424 -13.189 1.00 0.00 C ATOM 0 H LEU A 4 -10.793 -14.915 -12.193 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.119 -12.459 -13.690 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.656 -12.900 -10.731 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.369 -11.355 -11.508 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.744 -13.180 -11.998 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.038 -11.387 -10.911 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.818 -12.081 -9.817 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.529 -10.502 -10.586 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.643 -11.323 -13.342 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.116 -10.434 -13.124 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.132 -11.968 -14.027 1.00 0.00 H new ATOM 63 N ARG A 5 -7.751 -12.272 -12.965 1.00 0.00 N ATOM 64 CA ARG A 5 -6.313 -12.263 -12.709 1.00 0.00 C ATOM 65 C ARG A 5 -6.005 -11.679 -11.334 1.00 0.00 C ATOM 66 O ARG A 5 -6.762 -10.857 -10.815 1.00 0.00 O ATOM 67 CB ARG A 5 -5.583 -11.462 -13.792 1.00 0.00 C ATOM 68 CG ARG A 5 -5.302 -12.254 -15.063 1.00 0.00 C ATOM 69 CD ARG A 5 -6.563 -12.457 -15.891 1.00 0.00 C ATOM 70 NE ARG A 5 -7.058 -11.203 -16.456 1.00 0.00 N ATOM 71 CZ ARG A 5 -8.246 -11.075 -17.039 1.00 0.00 C ATOM 72 NH1 ARG A 5 -9.071 -12.113 -17.108 1.00 0.00 N ATOM 73 NH2 ARG A 5 -8.613 -9.905 -17.546 1.00 0.00 N ATOM 0 H ARG A 5 -8.068 -11.538 -13.598 1.00 0.00 H new ATOM 0 HA ARG A 5 -5.962 -13.295 -12.731 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -6.180 -10.586 -14.046 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.639 -11.098 -13.386 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.555 -11.731 -15.660 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.879 -13.224 -14.801 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.357 -13.161 -16.697 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.337 -12.904 -15.268 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.458 -10.380 -16.400 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.794 -13.012 -16.713 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.982 -12.012 -17.556 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.984 -9.104 -17.488 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.524 -9.806 -17.993 1.00 0.00 H new ATOM 87 N LYS A 6 -4.891 -12.118 -10.746 1.00 0.00 N ATOM 88 CA LYS A 6 -4.469 -11.638 -9.430 1.00 0.00 C ATOM 89 C LYS A 6 -4.160 -10.148 -9.463 1.00 0.00 C ATOM 90 O LYS A 6 -4.466 -9.417 -8.521 1.00 0.00 O ATOM 91 CB LYS A 6 -3.243 -12.412 -8.941 1.00 0.00 C ATOM 92 CG LYS A 6 -3.520 -13.877 -8.630 1.00 0.00 C ATOM 93 CD LYS A 6 -4.446 -14.035 -7.434 1.00 0.00 C ATOM 94 CE LYS A 6 -4.563 -15.490 -7.011 1.00 0.00 C ATOM 95 NZ LYS A 6 -5.151 -16.338 -8.086 1.00 0.00 N ATOM 0 H LYS A 6 -4.264 -12.807 -11.162 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.294 -11.805 -8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.462 -12.353 -9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.854 -11.928 -8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.967 -14.355 -9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.579 -14.391 -8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.071 -13.441 -6.600 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.434 -13.646 -7.683 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.577 -15.871 -6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.181 -15.559 -6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.308 -17.300 -7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.058 -15.931 -8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.498 -16.375 -8.895 1.00 0.00 H new ATOM 109 N THR A 7 -3.542 -9.712 -10.546 1.00 0.00 N ATOM 110 CA THR A 7 -3.193 -8.311 -10.708 1.00 0.00 C ATOM 111 C THR A 7 -4.371 -7.511 -11.247 1.00 0.00 C ATOM 112 O THR A 7 -4.920 -7.817 -12.307 1.00 0.00 O ATOM 113 CB THR A 7 -1.989 -8.132 -11.647 1.00 0.00 C ATOM 114 OG1 THR A 7 -1.980 -9.170 -12.637 1.00 0.00 O ATOM 115 CG2 THR A 7 -0.684 -8.149 -10.867 1.00 0.00 C ATOM 0 H THR A 7 -3.271 -10.308 -11.328 1.00 0.00 H new ATOM 0 HA THR A 7 -2.926 -7.937 -9.719 1.00 0.00 H new ATOM 0 HB THR A 7 -2.082 -7.164 -12.140 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.211 -9.048 -13.232 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.152 -8.021 -11.554 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.684 -7.337 -10.140 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.583 -9.102 -10.347 1.00 0.00 H new ATOM 123 N ALA A 8 -4.742 -6.483 -10.506 1.00 0.00 N ATOM 124 CA ALA A 8 -5.850 -5.617 -10.876 1.00 0.00 C ATOM 125 C ALA A 8 -5.355 -4.374 -11.597 1.00 0.00 C ATOM 126 O ALA A 8 -4.222 -3.938 -11.393 1.00 0.00 O ATOM 127 CB ALA A 8 -6.641 -5.235 -9.645 1.00 0.00 C ATOM 0 H ALA A 8 -4.285 -6.224 -9.632 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.500 -6.163 -11.560 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.469 -4.586 -9.931 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -7.032 -6.135 -9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.993 -4.708 -8.945 1.00 0.00 H new ATOM 133 N VAL A 9 -6.210 -3.800 -12.432 1.00 0.00 N ATOM 134 CA VAL A 9 -5.843 -2.615 -13.186 1.00 0.00 C ATOM 135 C VAL A 9 -6.591 -1.395 -12.657 1.00 0.00 C ATOM 136 O VAL A 9 -7.824 -1.363 -12.628 1.00 0.00 O ATOM 137 CB VAL A 9 -6.139 -2.787 -14.692 1.00 0.00 C ATOM 138 CG1 VAL A 9 -5.767 -1.528 -15.471 1.00 0.00 C ATOM 139 CG2 VAL A 9 -5.398 -3.994 -15.246 1.00 0.00 C ATOM 0 H VAL A 9 -7.158 -4.136 -12.602 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.770 -2.468 -13.061 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.210 -2.952 -14.809 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.986 -1.677 -16.528 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.346 -0.684 -15.096 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.704 -1.323 -15.346 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.618 -4.100 -16.308 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.325 -3.856 -15.110 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.719 -4.892 -14.718 1.00 0.00 H new ATOM 149 N LEU A 10 -5.828 -0.397 -12.249 1.00 0.00 N ATOM 150 CA LEU A 10 -6.388 0.839 -11.729 1.00 0.00 C ATOM 151 C LEU A 10 -6.025 1.944 -12.709 1.00 0.00 C ATOM 152 O LEU A 10 -4.850 2.118 -13.038 1.00 0.00 O ATOM 153 CB LEU A 10 -5.826 1.120 -10.326 1.00 0.00 C ATOM 154 CG LEU A 10 -6.417 2.325 -9.577 1.00 0.00 C ATOM 155 CD1 LEU A 10 -7.912 2.145 -9.336 1.00 0.00 C ATOM 156 CD2 LEU A 10 -5.695 2.517 -8.255 1.00 0.00 C ATOM 0 H LEU A 10 -4.808 -0.419 -12.268 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.472 0.775 -11.631 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.977 0.231 -9.714 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.750 1.268 -10.413 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.279 3.212 -10.196 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.302 3.013 -8.804 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.425 2.044 -10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.079 1.249 -8.739 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.119 3.373 -7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.811 1.622 -7.644 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.636 2.694 -8.441 1.00 0.00 H new ATOM 168 N LYS A 11 -7.012 2.695 -13.180 1.00 0.00 N ATOM 169 CA LYS A 11 -6.735 3.739 -14.156 1.00 0.00 C ATOM 170 C LYS A 11 -6.984 5.120 -13.579 1.00 0.00 C ATOM 171 O LYS A 11 -7.984 5.358 -12.896 1.00 0.00 O ATOM 172 CB LYS A 11 -7.582 3.564 -15.424 1.00 0.00 C ATOM 173 CG LYS A 11 -7.218 2.346 -16.253 1.00 0.00 C ATOM 174 CD LYS A 11 -8.074 2.260 -17.507 1.00 0.00 C ATOM 175 CE LYS A 11 -7.688 1.067 -18.364 1.00 0.00 C ATOM 176 NZ LYS A 11 -8.528 0.966 -19.589 1.00 0.00 N ATOM 0 H LYS A 11 -7.991 2.604 -12.909 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.681 3.647 -14.417 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.632 3.495 -15.139 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.477 4.455 -16.043 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.165 2.393 -16.531 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.350 1.444 -15.656 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.125 2.183 -17.227 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.965 3.176 -18.087 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.639 1.150 -18.649 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.788 0.153 -17.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.232 0.139 -20.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.526 0.861 -19.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.413 1.827 -20.161 1.00 0.00 H new ATOM 190 N LEU A 12 -6.059 6.024 -13.852 1.00 0.00 N ATOM 191 CA LEU A 12 -6.179 7.392 -13.395 1.00 0.00 C ATOM 192 C LEU A 12 -6.384 8.297 -14.598 1.00 0.00 C ATOM 193 O LEU A 12 -5.582 8.278 -15.535 1.00 0.00 O ATOM 194 CB LEU A 12 -4.922 7.822 -12.629 1.00 0.00 C ATOM 195 CG LEU A 12 -5.172 8.584 -11.320 1.00 0.00 C ATOM 196 CD1 LEU A 12 -3.861 9.076 -10.736 1.00 0.00 C ATOM 197 CD2 LEU A 12 -6.122 9.753 -11.535 1.00 0.00 C ATOM 0 H LEU A 12 -5.214 5.831 -14.390 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.031 7.469 -12.720 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.333 6.933 -12.404 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.316 8.449 -13.283 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.638 7.895 -10.616 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.055 9.614 -9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.211 8.225 -10.533 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.373 9.743 -11.447 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.279 10.273 -10.590 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.692 10.443 -12.261 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.077 9.382 -11.908 1.00 0.00 H new ATOM 209 N TYR A 13 -7.443 9.079 -14.591 1.00 0.00 N ATOM 210 CA TYR A 13 -7.723 9.983 -15.688 1.00 0.00 C ATOM 211 C TYR A 13 -7.291 11.383 -15.285 1.00 0.00 C ATOM 212 O TYR A 13 -7.787 11.927 -14.301 1.00 0.00 O ATOM 213 CB TYR A 13 -9.222 9.961 -15.996 1.00 0.00 C ATOM 214 CG TYR A 13 -9.734 8.600 -16.427 1.00 0.00 C ATOM 215 CD1 TYR A 13 -10.146 7.662 -15.486 1.00 0.00 C ATOM 216 CD2 TYR A 13 -9.812 8.254 -17.769 1.00 0.00 C ATOM 217 CE1 TYR A 13 -10.615 6.421 -15.870 1.00 0.00 C ATOM 218 CE2 TYR A 13 -10.282 7.014 -18.162 1.00 0.00 C ATOM 219 CZ TYR A 13 -10.681 6.102 -17.207 1.00 0.00 C ATOM 220 OH TYR A 13 -11.149 4.865 -17.591 1.00 0.00 O ATOM 0 H TYR A 13 -8.127 9.107 -13.835 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.178 9.676 -16.580 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.771 10.283 -15.111 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.433 10.685 -16.783 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -10.098 7.909 -14.436 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.500 8.965 -18.519 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -10.928 5.705 -15.125 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -10.336 6.761 -19.211 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.470 4.909 -18.516 1.00 0.00 H new ATOM 230 N VAL A 14 -6.375 11.966 -16.034 1.00 0.00 N ATOM 231 CA VAL A 14 -5.874 13.297 -15.718 1.00 0.00 C ATOM 232 C VAL A 14 -6.025 14.238 -16.903 1.00 0.00 C ATOM 233 O VAL A 14 -6.154 13.798 -18.047 1.00 0.00 O ATOM 234 CB VAL A 14 -4.390 13.264 -15.277 1.00 0.00 C ATOM 235 CG1 VAL A 14 -4.244 12.607 -13.906 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.528 12.546 -16.306 1.00 0.00 C ATOM 0 H VAL A 14 -5.961 11.543 -16.865 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.476 13.666 -14.887 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.043 14.295 -15.203 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.193 12.596 -13.618 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.816 13.171 -13.169 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.619 11.585 -13.951 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.491 12.538 -15.970 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.879 11.521 -16.423 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.596 13.064 -17.263 1.00 0.00 H new ATOM 246 N ALA A 15 -6.002 15.532 -16.627 1.00 0.00 N ATOM 247 CA ALA A 15 -6.139 16.528 -17.675 1.00 0.00 C ATOM 248 C ALA A 15 -4.893 17.400 -17.734 1.00 0.00 C ATOM 249 O ALA A 15 -4.762 18.359 -16.971 1.00 0.00 O ATOM 250 CB ALA A 15 -7.379 17.380 -17.458 1.00 0.00 C ATOM 0 H ALA A 15 -5.890 15.916 -15.689 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.251 16.011 -18.628 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.458 18.118 -18.257 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.264 16.743 -17.464 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.306 17.891 -16.498 1.00 0.00 H new ATOM 256 N GLY A 16 -3.983 17.069 -18.645 1.00 0.00 N ATOM 257 CA GLY A 16 -2.760 17.836 -18.780 1.00 0.00 C ATOM 258 C GLY A 16 -1.826 17.652 -17.601 1.00 0.00 C ATOM 259 O GLY A 16 -1.832 16.609 -16.950 1.00 0.00 O ATOM 0 H GLY A 16 -4.071 16.284 -19.291 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.248 17.539 -19.695 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.007 18.893 -18.882 1.00 0.00 H new ATOM 263 N ASN A 17 -1.029 18.676 -17.323 1.00 0.00 N ATOM 264 CA ASN A 17 -0.081 18.630 -16.217 1.00 0.00 C ATOM 265 C ASN A 17 -0.431 19.657 -15.153 1.00 0.00 C ATOM 266 O ASN A 17 0.443 20.349 -14.630 1.00 0.00 O ATOM 267 CB ASN A 17 1.352 18.859 -16.714 1.00 0.00 C ATOM 268 CG ASN A 17 1.903 17.683 -17.498 1.00 0.00 C ATOM 269 OD1 ASN A 17 1.426 16.557 -17.373 1.00 0.00 O ATOM 270 ND2 ASN A 17 2.917 17.940 -18.315 1.00 0.00 N ATOM 0 H ASN A 17 -1.020 19.550 -17.849 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.143 17.636 -15.773 1.00 0.00 H new ATOM 0 HB2 ASN A 17 1.375 19.750 -17.342 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.000 19.055 -15.860 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.329 17.189 -18.868 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.284 18.889 -18.390 1.00 0.00 H new ATOM 277 N THR A 18 -1.718 19.768 -14.850 1.00 0.00 N ATOM 278 CA THR A 18 -2.177 20.702 -13.832 1.00 0.00 C ATOM 279 C THR A 18 -1.756 20.204 -12.458 1.00 0.00 C ATOM 280 O THR A 18 -1.511 19.009 -12.285 1.00 0.00 O ATOM 281 CB THR A 18 -3.710 20.876 -13.868 1.00 0.00 C ATOM 282 OG1 THR A 18 -4.360 19.625 -13.600 1.00 0.00 O ATOM 283 CG2 THR A 18 -4.164 21.412 -15.216 1.00 0.00 C ATOM 0 H THR A 18 -2.459 19.225 -15.293 1.00 0.00 H new ATOM 0 HA THR A 18 -1.723 21.671 -14.037 1.00 0.00 H new ATOM 0 HB THR A 18 -3.985 21.596 -13.097 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.332 19.749 -13.624 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.248 21.526 -15.216 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.698 22.380 -15.398 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.872 20.715 -16.002 1.00 0.00 H new ATOM 291 N PRO A 19 -1.654 21.100 -11.464 1.00 0.00 N ATOM 292 CA PRO A 19 -1.245 20.718 -10.105 1.00 0.00 C ATOM 293 C PRO A 19 -2.098 19.592 -9.529 1.00 0.00 C ATOM 294 O PRO A 19 -1.583 18.729 -8.829 1.00 0.00 O ATOM 295 CB PRO A 19 -1.416 22.018 -9.312 1.00 0.00 C ATOM 296 CG PRO A 19 -1.233 23.088 -10.332 1.00 0.00 C ATOM 297 CD PRO A 19 -1.877 22.558 -11.580 1.00 0.00 C ATOM 0 HA PRO A 19 -0.230 20.322 -10.073 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.400 22.075 -8.846 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.679 22.098 -8.513 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.700 24.020 -10.013 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.176 23.301 -10.494 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.938 22.804 -11.624 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.417 22.968 -12.479 1.00 0.00 H new ATOM 305 N ASN A 20 -3.397 19.602 -9.827 1.00 0.00 N ATOM 306 CA ASN A 20 -4.288 18.550 -9.330 1.00 0.00 C ATOM 307 C ASN A 20 -3.908 17.202 -9.943 1.00 0.00 C ATOM 308 O ASN A 20 -3.827 16.192 -9.245 1.00 0.00 O ATOM 309 CB ASN A 20 -5.757 18.860 -9.657 1.00 0.00 C ATOM 310 CG ASN A 20 -6.257 20.114 -8.968 1.00 0.00 C ATOM 311 OD1 ASN A 20 -6.594 21.101 -9.620 1.00 0.00 O ATOM 312 ND2 ASN A 20 -6.310 20.083 -7.642 1.00 0.00 N ATOM 0 H ASN A 20 -3.851 20.313 -10.400 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.175 18.507 -8.247 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.869 18.974 -10.735 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.378 18.015 -9.359 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.640 20.898 -7.126 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.021 19.244 -7.140 1.00 0.00 H new ATOM 319 N SER A 21 -3.677 17.204 -11.261 1.00 0.00 N ATOM 320 CA SER A 21 -3.283 16.001 -11.988 1.00 0.00 C ATOM 321 C SER A 21 -1.895 15.537 -11.572 1.00 0.00 C ATOM 322 O SER A 21 -1.674 14.344 -11.364 1.00 0.00 O ATOM 323 CB SER A 21 -3.310 16.266 -13.495 1.00 0.00 C ATOM 324 OG SER A 21 -4.627 16.540 -13.945 1.00 0.00 O ATOM 0 H SER A 21 -3.758 18.035 -11.846 1.00 0.00 H new ATOM 0 HA SER A 21 -3.995 15.212 -11.745 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.660 17.109 -13.730 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.914 15.400 -14.026 1.00 0.00 H new ATOM 0 HG SER A 21 -4.786 17.507 -13.922 1.00 0.00 H new ATOM 330 N VAL A 22 -0.964 16.476 -11.447 1.00 0.00 N ATOM 331 CA VAL A 22 0.395 16.140 -11.042 1.00 0.00 C ATOM 332 C VAL A 22 0.412 15.582 -9.622 1.00 0.00 C ATOM 333 O VAL A 22 1.063 14.573 -9.346 1.00 0.00 O ATOM 334 CB VAL A 22 1.338 17.358 -11.150 1.00 0.00 C ATOM 335 CG1 VAL A 22 2.674 17.077 -10.482 1.00 0.00 C ATOM 336 CG2 VAL A 22 1.540 17.751 -12.604 1.00 0.00 C ATOM 0 H VAL A 22 -1.124 17.469 -11.619 1.00 0.00 H new ATOM 0 HA VAL A 22 0.759 15.373 -11.726 1.00 0.00 H new ATOM 0 HB VAL A 22 0.870 18.192 -10.628 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.318 17.952 -10.574 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.514 16.853 -9.427 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.150 16.224 -10.965 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.207 18.611 -12.659 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.979 16.915 -13.149 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.579 18.009 -13.048 1.00 0.00 H new ATOM 346 N ARG A 23 -0.328 16.239 -8.737 1.00 0.00 N ATOM 347 CA ARG A 23 -0.417 15.826 -7.343 1.00 0.00 C ATOM 348 C ARG A 23 -1.020 14.435 -7.235 1.00 0.00 C ATOM 349 O ARG A 23 -0.506 13.573 -6.518 1.00 0.00 O ATOM 350 CB ARG A 23 -1.312 16.802 -6.591 1.00 0.00 C ATOM 351 CG ARG A 23 -0.959 16.988 -5.129 1.00 0.00 C ATOM 352 CD ARG A 23 -0.178 18.273 -4.920 1.00 0.00 C ATOM 353 NE ARG A 23 0.120 18.513 -3.511 1.00 0.00 N ATOM 354 CZ ARG A 23 0.810 19.561 -3.071 1.00 0.00 C ATOM 355 NH1 ARG A 23 1.268 20.464 -3.929 1.00 0.00 N ATOM 356 NH2 ARG A 23 1.042 19.707 -1.772 1.00 0.00 N ATOM 0 H ARG A 23 -0.879 17.067 -8.963 1.00 0.00 H new ATOM 0 HA ARG A 23 0.586 15.816 -6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.267 17.771 -7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.343 16.456 -6.660 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.870 17.010 -4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.370 16.139 -4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.754 18.226 -5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.749 19.112 -5.317 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.220 17.839 -2.826 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.091 20.355 -4.928 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.797 21.267 -3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.691 19.015 -1.110 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.571 20.511 -1.436 1.00 0.00 H new ATOM 370 N ALA A 24 -2.119 14.234 -7.957 1.00 0.00 N ATOM 371 CA ALA A 24 -2.817 12.953 -7.944 1.00 0.00 C ATOM 372 C ALA A 24 -1.946 11.822 -8.488 1.00 0.00 C ATOM 373 O ALA A 24 -1.894 10.740 -7.903 1.00 0.00 O ATOM 374 CB ALA A 24 -4.108 13.047 -8.741 1.00 0.00 C ATOM 0 H ALA A 24 -2.544 14.941 -8.557 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.050 12.720 -6.905 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.618 12.084 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.753 13.808 -8.301 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.880 13.317 -9.772 1.00 0.00 H new ATOM 380 N LEU A 25 -1.265 12.077 -9.608 1.00 0.00 N ATOM 381 CA LEU A 25 -0.398 11.070 -10.217 1.00 0.00 C ATOM 382 C LEU A 25 0.768 10.686 -9.316 1.00 0.00 C ATOM 383 O LEU A 25 1.087 9.504 -9.194 1.00 0.00 O ATOM 384 CB LEU A 25 0.109 11.531 -11.585 1.00 0.00 C ATOM 385 CG LEU A 25 -0.921 11.471 -12.709 1.00 0.00 C ATOM 386 CD1 LEU A 25 -0.404 12.198 -13.939 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.244 10.021 -13.039 1.00 0.00 C ATOM 0 H LEU A 25 -1.298 12.966 -10.107 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.008 10.177 -10.355 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.468 12.556 -11.496 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.965 10.917 -11.864 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.835 11.966 -12.379 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.150 12.147 -14.732 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.210 13.241 -13.690 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.519 11.728 -14.278 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.980 9.986 -13.842 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.336 9.509 -13.357 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.648 9.528 -12.155 1.00 0.00 H new ATOM 399 N LYS A 26 1.407 11.672 -8.686 1.00 0.00 N ATOM 400 CA LYS A 26 2.522 11.383 -7.786 1.00 0.00 C ATOM 401 C LYS A 26 2.048 10.565 -6.590 1.00 0.00 C ATOM 402 O LYS A 26 2.723 9.632 -6.157 1.00 0.00 O ATOM 403 CB LYS A 26 3.197 12.670 -7.303 1.00 0.00 C ATOM 404 CG LYS A 26 3.989 13.390 -8.382 1.00 0.00 C ATOM 405 CD LYS A 26 4.653 14.646 -7.839 1.00 0.00 C ATOM 406 CE LYS A 26 5.469 15.352 -8.909 1.00 0.00 C ATOM 407 NZ LYS A 26 6.121 16.586 -8.390 1.00 0.00 N ATOM 0 H LYS A 26 1.177 12.661 -8.780 1.00 0.00 H new ATOM 0 HA LYS A 26 3.255 10.802 -8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.435 13.345 -6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.864 12.431 -6.475 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.749 12.721 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.327 13.654 -9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.891 15.324 -7.454 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.299 14.384 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.231 14.673 -9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.822 15.609 -9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.667 17.037 -9.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.393 17.246 -8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.759 16.339 -7.606 1.00 0.00 H new ATOM 421 N THR A 27 0.877 10.920 -6.070 1.00 0.00 N ATOM 422 CA THR A 27 0.290 10.228 -4.929 1.00 0.00 C ATOM 423 C THR A 27 -0.100 8.793 -5.292 1.00 0.00 C ATOM 424 O THR A 27 0.191 7.856 -4.550 1.00 0.00 O ATOM 425 CB THR A 27 -0.949 10.995 -4.427 1.00 0.00 C ATOM 426 OG1 THR A 27 -0.577 12.328 -4.062 1.00 0.00 O ATOM 427 CG2 THR A 27 -1.576 10.312 -3.226 1.00 0.00 C ATOM 0 H THR A 27 0.312 11.691 -6.426 1.00 0.00 H new ATOM 0 HA THR A 27 1.038 10.188 -4.137 1.00 0.00 H new ATOM 0 HB THR A 27 -1.679 11.013 -5.236 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.531 12.886 -4.866 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.447 10.880 -2.898 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.883 9.303 -3.501 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.849 10.262 -2.415 1.00 0.00 H new ATOM 435 N LEU A 28 -0.732 8.625 -6.452 1.00 0.00 N ATOM 436 CA LEU A 28 -1.175 7.306 -6.901 1.00 0.00 C ATOM 437 C LEU A 28 -0.010 6.398 -7.285 1.00 0.00 C ATOM 438 O LEU A 28 0.078 5.263 -6.818 1.00 0.00 O ATOM 439 CB LEU A 28 -2.111 7.444 -8.108 1.00 0.00 C ATOM 440 CG LEU A 28 -3.583 7.091 -7.865 1.00 0.00 C ATOM 441 CD1 LEU A 28 -3.713 5.711 -7.239 1.00 0.00 C ATOM 442 CD2 LEU A 28 -4.254 8.144 -6.996 1.00 0.00 C ATOM 0 H LEU A 28 -0.949 9.384 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.699 6.850 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.060 8.472 -8.466 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.734 6.808 -8.909 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.090 7.073 -8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.766 5.483 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.280 4.966 -7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.186 5.693 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.298 7.873 -6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.743 8.202 -6.035 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.202 9.113 -7.493 1.00 0.00 H new ATOM 454 N ALA A 29 0.888 6.906 -8.134 1.00 0.00 N ATOM 455 CA ALA A 29 2.022 6.119 -8.608 1.00 0.00 C ATOM 456 C ALA A 29 2.950 5.686 -7.483 1.00 0.00 C ATOM 457 O ALA A 29 3.342 4.527 -7.425 1.00 0.00 O ATOM 458 CB ALA A 29 2.807 6.904 -9.650 1.00 0.00 C ATOM 0 H ALA A 29 0.849 7.856 -8.504 1.00 0.00 H new ATOM 0 HA ALA A 29 1.612 5.213 -9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.651 6.307 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.158 7.139 -10.494 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.175 7.829 -9.207 1.00 0.00 H new ATOM 464 N ASN A 30 3.275 6.598 -6.576 1.00 0.00 N ATOM 465 CA ASN A 30 4.182 6.275 -5.469 1.00 0.00 C ATOM 466 C ASN A 30 3.582 5.212 -4.551 1.00 0.00 C ATOM 467 O ASN A 30 4.270 4.268 -4.154 1.00 0.00 O ATOM 468 CB ASN A 30 4.540 7.533 -4.671 1.00 0.00 C ATOM 469 CG ASN A 30 5.483 7.246 -3.517 1.00 0.00 C ATOM 470 OD1 ASN A 30 5.059 7.134 -2.368 1.00 0.00 O ATOM 471 ND2 ASN A 30 6.769 7.127 -3.816 1.00 0.00 N ATOM 0 H ASN A 30 2.932 7.558 -6.579 1.00 0.00 H new ATOM 0 HA ASN A 30 5.097 5.869 -5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.000 8.263 -5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.627 7.985 -4.285 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.448 6.935 -3.080 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.079 7.227 -4.783 1.00 0.00 H new ATOM 478 N ILE A 31 2.306 5.362 -4.222 1.00 0.00 N ATOM 479 CA ILE A 31 1.633 4.401 -3.365 1.00 0.00 C ATOM 480 C ILE A 31 1.574 3.020 -4.020 1.00 0.00 C ATOM 481 O ILE A 31 1.859 2.012 -3.387 1.00 0.00 O ATOM 482 CB ILE A 31 0.240 4.903 -2.947 1.00 0.00 C ATOM 483 CG1 ILE A 31 0.421 6.044 -1.951 1.00 0.00 C ATOM 484 CG2 ILE A 31 -0.619 3.794 -2.360 1.00 0.00 C ATOM 485 CD1 ILE A 31 -0.850 6.783 -1.636 1.00 0.00 C ATOM 0 H ILE A 31 1.720 6.136 -4.535 1.00 0.00 H new ATOM 0 HA ILE A 31 2.221 4.297 -2.453 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.289 5.258 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.836 5.644 -1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.151 6.749 -2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.592 4.197 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.752 3.006 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.129 3.383 -1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.641 7.579 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.256 7.214 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.576 6.092 -1.207 1.00 0.00 H new ATOM 497 N LEU A 32 1.217 2.980 -5.292 1.00 0.00 N ATOM 498 CA LEU A 32 1.148 1.719 -6.024 1.00 0.00 C ATOM 499 C LEU A 32 2.534 1.098 -6.247 1.00 0.00 C ATOM 500 O LEU A 32 2.674 -0.118 -6.237 1.00 0.00 O ATOM 501 CB LEU A 32 0.404 1.913 -7.345 1.00 0.00 C ATOM 502 CG LEU A 32 -1.102 2.137 -7.189 1.00 0.00 C ATOM 503 CD1 LEU A 32 -1.716 2.608 -8.496 1.00 0.00 C ATOM 504 CD2 LEU A 32 -1.776 0.860 -6.721 1.00 0.00 C ATOM 0 H LEU A 32 0.970 3.803 -5.842 1.00 0.00 H new ATOM 0 HA LEU A 32 0.589 1.012 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.835 2.766 -7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.567 1.037 -7.973 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.257 2.913 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.787 2.761 -8.361 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.251 3.546 -8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.551 1.856 -9.267 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.847 1.032 -6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.607 0.070 -7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.359 0.560 -5.760 1.00 0.00 H new ATOM 516 N GLU A 33 3.546 1.934 -6.469 1.00 0.00 N ATOM 517 CA GLU A 33 4.914 1.452 -6.700 1.00 0.00 C ATOM 518 C GLU A 33 5.557 0.853 -5.448 1.00 0.00 C ATOM 519 O GLU A 33 6.424 -0.010 -5.556 1.00 0.00 O ATOM 520 CB GLU A 33 5.813 2.569 -7.233 1.00 0.00 C ATOM 521 CG GLU A 33 5.480 3.003 -8.650 1.00 0.00 C ATOM 522 CD GLU A 33 6.342 4.155 -9.132 1.00 0.00 C ATOM 523 OE1 GLU A 33 7.078 4.735 -8.305 1.00 0.00 O ATOM 524 OE2 GLU A 33 6.277 4.477 -10.336 1.00 0.00 O ATOM 0 H GLU A 33 3.449 2.949 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 33 4.823 0.661 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.735 3.432 -6.571 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.850 2.235 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.606 2.155 -9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.431 3.296 -8.698 1.00 0.00 H new ATOM 531 N LYS A 34 5.175 1.328 -4.267 1.00 0.00 N ATOM 532 CA LYS A 34 5.775 0.815 -3.033 1.00 0.00 C ATOM 533 C LYS A 34 4.774 0.063 -2.157 1.00 0.00 C ATOM 534 O LYS A 34 4.998 -1.092 -1.800 1.00 0.00 O ATOM 535 CB LYS A 34 6.394 1.965 -2.230 1.00 0.00 C ATOM 536 CG LYS A 34 7.428 2.776 -3.002 1.00 0.00 C ATOM 537 CD LYS A 34 8.628 1.930 -3.398 1.00 0.00 C ATOM 538 CE LYS A 34 9.673 2.759 -4.128 1.00 0.00 C ATOM 539 NZ LYS A 34 10.850 1.939 -4.532 1.00 0.00 N ATOM 0 H LYS A 34 4.468 2.052 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 34 6.547 0.105 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.598 2.632 -1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.862 1.558 -1.334 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.967 3.195 -3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.761 3.616 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.071 1.485 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.302 1.109 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.225 3.211 -5.013 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.003 3.575 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.539 2.541 -5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.294 1.528 -3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.540 1.175 -5.166 1.00 0.00 H new ATOM 553 N GLU A 35 3.672 0.726 -1.817 1.00 0.00 N ATOM 554 CA GLU A 35 2.645 0.139 -0.955 1.00 0.00 C ATOM 555 C GLU A 35 1.943 -1.061 -1.595 1.00 0.00 C ATOM 556 O GLU A 35 1.674 -2.055 -0.921 1.00 0.00 O ATOM 557 CB GLU A 35 1.610 1.208 -0.574 1.00 0.00 C ATOM 558 CG GLU A 35 2.146 2.269 0.378 1.00 0.00 C ATOM 559 CD GLU A 35 2.631 1.692 1.694 1.00 0.00 C ATOM 560 OE1 GLU A 35 1.876 0.917 2.316 1.00 0.00 O ATOM 561 OE2 GLU A 35 3.765 2.017 2.101 1.00 0.00 O ATOM 0 H GLU A 35 3.465 1.676 -2.126 1.00 0.00 H new ATOM 0 HA GLU A 35 3.152 -0.229 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.253 1.694 -1.482 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.750 0.721 -0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.966 2.801 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.363 3.002 0.575 1.00 0.00 H new ATOM 568 N PHE A 36 1.642 -0.975 -2.889 1.00 0.00 N ATOM 569 CA PHE A 36 0.943 -2.068 -3.570 1.00 0.00 C ATOM 570 C PHE A 36 1.727 -2.636 -4.752 1.00 0.00 C ATOM 571 O PHE A 36 1.131 -3.141 -5.710 1.00 0.00 O ATOM 572 CB PHE A 36 -0.442 -1.608 -4.030 1.00 0.00 C ATOM 573 CG PHE A 36 -1.332 -1.191 -2.895 1.00 0.00 C ATOM 574 CD1 PHE A 36 -1.446 0.142 -2.541 1.00 0.00 C ATOM 575 CD2 PHE A 36 -2.040 -2.137 -2.172 1.00 0.00 C ATOM 576 CE1 PHE A 36 -2.250 0.525 -1.488 1.00 0.00 C ATOM 577 CE2 PHE A 36 -2.848 -1.758 -1.118 1.00 0.00 C ATOM 578 CZ PHE A 36 -2.952 -0.425 -0.775 1.00 0.00 C ATOM 0 H PHE A 36 1.866 -0.175 -3.481 1.00 0.00 H new ATOM 0 HA PHE A 36 0.841 -2.873 -2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.330 -0.773 -4.721 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.922 -2.416 -4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.899 0.890 -3.095 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.959 -3.181 -2.435 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.330 1.569 -1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.398 -2.504 -0.563 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.582 -0.126 0.050 1.00 0.00 H new ATOM 588 N LYS A 37 3.053 -2.546 -4.690 1.00 0.00 N ATOM 589 CA LYS A 37 3.905 -3.058 -5.763 1.00 0.00 C ATOM 590 C LYS A 37 3.680 -4.551 -5.997 1.00 0.00 C ATOM 591 O LYS A 37 3.752 -5.358 -5.069 1.00 0.00 O ATOM 592 CB LYS A 37 5.381 -2.817 -5.427 1.00 0.00 C ATOM 593 CG LYS A 37 6.346 -3.287 -6.508 1.00 0.00 C ATOM 594 CD LYS A 37 6.223 -2.454 -7.775 1.00 0.00 C ATOM 595 CE LYS A 37 7.220 -2.900 -8.833 1.00 0.00 C ATOM 596 NZ LYS A 37 8.626 -2.757 -8.366 1.00 0.00 N ATOM 0 H LYS A 37 3.561 -2.125 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 37 3.639 -2.522 -6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.535 -1.752 -5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.619 -3.328 -4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.368 -3.230 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.150 -4.334 -6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.210 -2.537 -8.170 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.388 -1.403 -7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.029 -3.940 -9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.076 -2.311 -9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.269 -2.806 -9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.742 -1.840 -7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.851 -3.524 -7.701 1.00 0.00 H new ATOM 610 N GLY A 38 3.404 -4.908 -7.249 1.00 0.00 N ATOM 611 CA GLY A 38 3.194 -6.300 -7.601 1.00 0.00 C ATOM 612 C GLY A 38 1.748 -6.746 -7.492 1.00 0.00 C ATOM 613 O GLY A 38 1.408 -7.847 -7.924 1.00 0.00 O ATOM 0 H GLY A 38 3.322 -4.254 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.539 -6.463 -8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.808 -6.926 -6.953 1.00 0.00 H new ATOM 617 N VAL A 39 0.887 -5.906 -6.922 1.00 0.00 N ATOM 618 CA VAL A 39 -0.519 -6.271 -6.777 1.00 0.00 C ATOM 619 C VAL A 39 -1.412 -5.464 -7.716 1.00 0.00 C ATOM 620 O VAL A 39 -2.294 -6.023 -8.374 1.00 0.00 O ATOM 621 CB VAL A 39 -1.012 -6.109 -5.319 1.00 0.00 C ATOM 622 CG1 VAL A 39 -2.461 -6.559 -5.182 1.00 0.00 C ATOM 623 CG2 VAL A 39 -0.117 -6.880 -4.360 1.00 0.00 C ATOM 0 H VAL A 39 1.132 -4.985 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.590 -7.324 -7.048 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.960 -5.051 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.784 -6.435 -4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.093 -5.956 -5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.544 -7.608 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.481 -6.753 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.131 -7.938 -4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.903 -6.502 -4.431 1.00 0.00 H new ATOM 633 N TYR A 40 -1.190 -4.156 -7.795 1.00 0.00 N ATOM 634 CA TYR A 40 -2.018 -3.324 -8.659 1.00 0.00 C ATOM 635 C TYR A 40 -1.211 -2.727 -9.809 1.00 0.00 C ATOM 636 O TYR A 40 -0.057 -2.336 -9.637 1.00 0.00 O ATOM 637 CB TYR A 40 -2.672 -2.194 -7.862 1.00 0.00 C ATOM 638 CG TYR A 40 -4.163 -2.315 -7.653 1.00 0.00 C ATOM 639 CD1 TYR A 40 -4.685 -2.753 -6.444 1.00 0.00 C ATOM 640 CD2 TYR A 40 -5.050 -1.951 -8.658 1.00 0.00 C ATOM 641 CE1 TYR A 40 -6.050 -2.826 -6.242 1.00 0.00 C ATOM 642 CE2 TYR A 40 -6.415 -2.026 -8.466 1.00 0.00 C ATOM 643 CZ TYR A 40 -6.910 -2.463 -7.258 1.00 0.00 C ATOM 644 OH TYR A 40 -8.269 -2.531 -7.062 1.00 0.00 O ATOM 0 H TYR A 40 -0.461 -3.658 -7.284 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.791 -3.970 -9.075 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -2.191 -2.138 -6.886 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -2.471 -1.252 -8.372 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.014 -3.041 -5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.665 -1.603 -9.605 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.441 -3.165 -5.294 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.091 -1.743 -9.259 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.650 -1.629 -7.097 1.00 0.00 H new ATOM 654 N ALA A 41 -1.837 -2.663 -10.978 1.00 0.00 N ATOM 655 CA ALA A 41 -1.214 -2.078 -12.154 1.00 0.00 C ATOM 656 C ALA A 41 -1.813 -0.697 -12.395 1.00 0.00 C ATOM 657 O ALA A 41 -3.034 -0.556 -12.471 1.00 0.00 O ATOM 658 CB ALA A 41 -1.416 -2.971 -13.369 1.00 0.00 C ATOM 0 H ALA A 41 -2.782 -3.012 -11.135 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.141 -1.984 -11.988 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.942 -2.515 -14.238 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.968 -3.947 -13.182 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.483 -3.092 -13.559 1.00 0.00 H new ATOM 664 N LEU A 42 -0.967 0.320 -12.513 1.00 0.00 N ATOM 665 CA LEU A 42 -1.457 1.680 -12.715 1.00 0.00 C ATOM 666 C LEU A 42 -1.439 2.095 -14.178 1.00 0.00 C ATOM 667 O LEU A 42 -0.419 1.992 -14.862 1.00 0.00 O ATOM 668 CB LEU A 42 -0.642 2.686 -11.895 1.00 0.00 C ATOM 669 CG LEU A 42 -1.036 4.157 -12.094 1.00 0.00 C ATOM 670 CD1 LEU A 42 -2.466 4.410 -11.638 1.00 0.00 C ATOM 671 CD2 LEU A 42 -0.071 5.074 -11.361 1.00 0.00 C ATOM 0 H LEU A 42 0.048 0.232 -12.473 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.493 1.683 -12.375 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.744 2.438 -10.839 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.412 2.570 -12.149 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.980 4.377 -13.160 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.716 5.460 -11.791 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.148 3.786 -12.216 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.559 4.165 -10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.367 6.112 -11.515 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.090 4.845 -10.295 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.937 4.924 -11.747 1.00 0.00 H new ATOM 683 N LYS A 43 -2.585 2.565 -14.640 1.00 0.00 N ATOM 684 CA LYS A 43 -2.739 3.054 -15.997 1.00 0.00 C ATOM 685 C LYS A 43 -3.237 4.492 -15.949 1.00 0.00 C ATOM 686 O LYS A 43 -4.101 4.828 -15.146 1.00 0.00 O ATOM 687 CB LYS A 43 -3.718 2.185 -16.789 1.00 0.00 C ATOM 688 CG LYS A 43 -3.060 1.308 -17.839 1.00 0.00 C ATOM 689 CD LYS A 43 -2.713 -0.066 -17.292 1.00 0.00 C ATOM 690 CE LYS A 43 -2.557 -1.079 -18.414 1.00 0.00 C ATOM 691 NZ LYS A 43 -1.328 -0.836 -19.217 1.00 0.00 N ATOM 0 H LYS A 43 -3.437 2.618 -14.082 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.774 3.010 -16.501 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.268 1.550 -16.094 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.448 2.831 -17.277 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.728 1.201 -18.693 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.154 1.794 -18.202 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.788 -0.009 -16.718 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.494 -0.396 -16.606 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.522 -2.084 -17.993 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.430 -1.036 -19.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.260 -1.549 -19.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.372 0.113 -19.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.492 -0.902 -18.601 1.00 0.00 H new ATOM 705 N VAL A 44 -2.681 5.339 -16.798 1.00 0.00 N ATOM 706 CA VAL A 44 -3.067 6.745 -16.842 1.00 0.00 C ATOM 707 C VAL A 44 -3.599 7.117 -18.207 1.00 0.00 C ATOM 708 O VAL A 44 -3.003 6.812 -19.242 1.00 0.00 O ATOM 709 CB VAL A 44 -1.888 7.675 -16.458 1.00 0.00 C ATOM 710 CG1 VAL A 44 -0.620 7.296 -17.207 1.00 0.00 C ATOM 711 CG2 VAL A 44 -2.237 9.138 -16.698 1.00 0.00 C ATOM 0 H VAL A 44 -1.958 5.080 -17.469 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.859 6.884 -16.106 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.703 7.543 -15.392 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.189 7.967 -16.916 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.346 6.270 -16.963 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.792 7.380 -18.280 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.390 9.765 -16.419 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.468 9.289 -17.753 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.103 9.409 -16.094 1.00 0.00 H new ATOM 721 N ILE A 45 -4.746 7.773 -18.186 1.00 0.00 N ATOM 722 CA ILE A 45 -5.408 8.205 -19.388 1.00 0.00 C ATOM 723 C ILE A 45 -5.389 9.728 -19.441 1.00 0.00 C ATOM 724 O ILE A 45 -6.123 10.388 -18.703 1.00 0.00 O ATOM 725 CB ILE A 45 -6.871 7.712 -19.382 1.00 0.00 C ATOM 726 CG1 ILE A 45 -6.936 6.209 -19.064 1.00 0.00 C ATOM 727 CG2 ILE A 45 -7.569 8.015 -20.705 1.00 0.00 C ATOM 728 CD1 ILE A 45 -6.204 5.322 -20.048 1.00 0.00 C ATOM 0 H ILE A 45 -5.240 8.018 -17.328 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.895 7.795 -20.258 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.400 8.254 -18.598 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.522 6.044 -18.069 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.982 5.904 -19.029 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.597 7.654 -20.665 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.569 9.091 -20.878 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.041 7.516 -21.518 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.304 4.280 -19.743 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.631 5.452 -21.042 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.149 5.594 -20.068 1.00 0.00 H new ATOM 740 N ASP A 46 -4.531 10.283 -20.286 1.00 0.00 N ATOM 741 CA ASP A 46 -4.448 11.731 -20.422 1.00 0.00 C ATOM 742 C ASP A 46 -5.623 12.221 -21.259 1.00 0.00 C ATOM 743 O ASP A 46 -5.641 12.074 -22.482 1.00 0.00 O ATOM 744 CB ASP A 46 -3.119 12.140 -21.065 1.00 0.00 C ATOM 745 CG ASP A 46 -2.850 13.633 -20.970 1.00 0.00 C ATOM 746 OD1 ASP A 46 -3.818 14.427 -20.968 1.00 0.00 O ATOM 747 OD2 ASP A 46 -1.666 14.013 -20.880 1.00 0.00 O ATOM 0 H ASP A 46 -3.889 9.760 -20.882 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.492 12.189 -19.434 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.306 11.598 -20.582 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.122 11.843 -22.114 1.00 0.00 H new ATOM 752 N VAL A 47 -6.591 12.814 -20.576 1.00 0.00 N ATOM 753 CA VAL A 47 -7.810 13.316 -21.198 1.00 0.00 C ATOM 754 C VAL A 47 -7.552 14.413 -22.240 1.00 0.00 C ATOM 755 O VAL A 47 -8.162 14.404 -23.303 1.00 0.00 O ATOM 756 CB VAL A 47 -8.780 13.819 -20.108 1.00 0.00 C ATOM 757 CG1 VAL A 47 -9.967 14.569 -20.698 1.00 0.00 C ATOM 758 CG2 VAL A 47 -9.245 12.652 -19.239 1.00 0.00 C ATOM 0 H VAL A 47 -6.554 12.962 -19.567 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.259 12.484 -21.741 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.238 14.530 -19.484 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -10.622 14.904 -19.894 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.609 15.433 -21.258 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.520 13.908 -21.365 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.929 13.018 -18.473 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.756 11.917 -19.860 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.382 12.187 -18.762 1.00 0.00 H new ATOM 768 N LEU A 48 -6.668 15.360 -21.942 1.00 0.00 N ATOM 769 CA LEU A 48 -6.386 16.449 -22.884 1.00 0.00 C ATOM 770 C LEU A 48 -5.644 15.972 -24.134 1.00 0.00 C ATOM 771 O LEU A 48 -5.937 16.431 -25.238 1.00 0.00 O ATOM 772 CB LEU A 48 -5.615 17.589 -22.214 1.00 0.00 C ATOM 773 CG LEU A 48 -6.424 18.412 -21.204 1.00 0.00 C ATOM 774 CD1 LEU A 48 -5.533 19.429 -20.508 1.00 0.00 C ATOM 775 CD2 LEU A 48 -7.590 19.107 -21.890 1.00 0.00 C ATOM 0 H LEU A 48 -6.139 15.400 -21.071 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.357 16.826 -23.204 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.746 17.171 -21.706 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.240 18.258 -22.988 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.824 17.732 -20.452 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.125 20.003 -19.795 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.732 18.911 -19.981 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.103 20.103 -21.249 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.151 19.686 -21.156 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.211 19.773 -22.665 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.244 18.361 -22.341 1.00 0.00 H new ATOM 787 N LYS A 49 -4.680 15.068 -23.968 1.00 0.00 N ATOM 788 CA LYS A 49 -3.928 14.551 -25.115 1.00 0.00 C ATOM 789 C LYS A 49 -4.790 13.630 -25.968 1.00 0.00 C ATOM 790 O LYS A 49 -4.699 13.640 -27.197 1.00 0.00 O ATOM 791 CB LYS A 49 -2.656 13.824 -24.681 1.00 0.00 C ATOM 792 CG LYS A 49 -1.584 14.750 -24.134 1.00 0.00 C ATOM 793 CD LYS A 49 -0.315 13.988 -23.804 1.00 0.00 C ATOM 794 CE LYS A 49 0.788 14.915 -23.319 1.00 0.00 C ATOM 795 NZ LYS A 49 0.425 15.591 -22.044 1.00 0.00 N ATOM 0 H LYS A 49 -4.402 14.682 -23.066 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.636 15.413 -25.715 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.911 13.087 -23.920 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.252 13.277 -25.532 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.364 15.528 -24.865 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.954 15.250 -23.239 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.527 13.243 -23.037 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.026 13.448 -24.688 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.706 14.344 -23.179 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.993 15.666 -24.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.262 15.645 -21.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.081 16.552 -22.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.322 15.050 -21.565 1.00 0.00 H new ATOM 809 N ASN A 50 -5.626 12.833 -25.313 1.00 0.00 N ATOM 810 CA ASN A 50 -6.515 11.914 -26.016 1.00 0.00 C ATOM 811 C ASN A 50 -7.948 12.076 -25.533 1.00 0.00 C ATOM 812 O ASN A 50 -8.479 11.214 -24.828 1.00 0.00 O ATOM 813 CB ASN A 50 -6.071 10.465 -25.815 1.00 0.00 C ATOM 814 CG ASN A 50 -4.675 10.191 -26.343 1.00 0.00 C ATOM 815 OD1 ASN A 50 -3.770 9.847 -25.585 1.00 0.00 O ATOM 816 ND2 ASN A 50 -4.494 10.338 -27.649 1.00 0.00 N ATOM 0 H ASN A 50 -5.707 12.804 -24.297 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.466 12.155 -27.078 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.104 10.225 -24.752 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.778 9.802 -26.314 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.577 10.164 -28.060 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.272 10.625 -28.243 1.00 0.00 H new ATOM 823 N PRO A 51 -8.596 13.191 -25.912 1.00 0.00 N ATOM 824 CA PRO A 51 -9.979 13.475 -25.519 1.00 0.00 C ATOM 825 C PRO A 51 -10.966 12.435 -26.037 1.00 0.00 C ATOM 826 O PRO A 51 -12.046 12.263 -25.473 1.00 0.00 O ATOM 827 CB PRO A 51 -10.258 14.853 -26.129 1.00 0.00 C ATOM 828 CG PRO A 51 -9.225 15.026 -27.190 1.00 0.00 C ATOM 829 CD PRO A 51 -8.022 14.273 -26.726 1.00 0.00 C ATOM 0 HA PRO A 51 -10.102 13.450 -24.436 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.264 14.903 -26.546 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.186 15.639 -25.377 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.580 14.641 -28.146 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.991 16.080 -27.338 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.443 13.883 -27.563 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.352 14.904 -26.142 1.00 0.00 H new ATOM 837 N GLN A 52 -10.593 11.749 -27.115 1.00 0.00 N ATOM 838 CA GLN A 52 -11.436 10.707 -27.688 1.00 0.00 C ATOM 839 C GLN A 52 -11.601 9.582 -26.688 1.00 0.00 C ATOM 840 O GLN A 52 -12.697 9.064 -26.501 1.00 0.00 O ATOM 841 CB GLN A 52 -10.810 10.156 -28.974 1.00 0.00 C ATOM 842 CG GLN A 52 -10.777 11.153 -30.124 1.00 0.00 C ATOM 843 CD GLN A 52 -9.468 11.919 -30.198 1.00 0.00 C ATOM 844 OE1 GLN A 52 -8.743 12.032 -29.206 1.00 0.00 O ATOM 845 NE2 GLN A 52 -9.158 12.450 -31.371 1.00 0.00 N ATOM 0 H GLN A 52 -9.712 11.897 -27.608 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.409 11.137 -27.926 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.792 9.831 -28.760 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.367 9.273 -29.288 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.937 10.623 -31.063 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -11.600 11.858 -30.012 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.786 12.333 -32.166 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.291 12.976 -31.479 1.00 0.00 H new ATOM 854 N LEU A 53 -10.505 9.235 -26.023 1.00 0.00 N ATOM 855 CA LEU A 53 -10.523 8.171 -25.033 1.00 0.00 C ATOM 856 C LEU A 53 -11.280 8.626 -23.794 1.00 0.00 C ATOM 857 O LEU A 53 -11.991 7.841 -23.164 1.00 0.00 O ATOM 858 CB LEU A 53 -9.103 7.731 -24.692 1.00 0.00 C ATOM 859 CG LEU A 53 -8.381 7.020 -25.837 1.00 0.00 C ATOM 860 CD1 LEU A 53 -6.909 6.825 -25.511 1.00 0.00 C ATOM 861 CD2 LEU A 53 -9.042 5.685 -26.141 1.00 0.00 C ATOM 0 H LEU A 53 -9.595 9.676 -26.153 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.042 7.307 -25.448 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.523 8.606 -24.398 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.137 7.066 -23.829 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.452 7.649 -26.724 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.417 6.317 -26.340 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.440 7.796 -25.350 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.813 6.222 -24.608 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.513 5.195 -26.959 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.007 5.051 -25.255 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.081 5.850 -26.428 1.00 0.00 H new ATOM 873 N ALA A 54 -11.114 9.905 -23.447 1.00 0.00 N ATOM 874 CA ALA A 54 -11.801 10.485 -22.304 1.00 0.00 C ATOM 875 C ALA A 54 -13.305 10.463 -22.540 1.00 0.00 C ATOM 876 O ALA A 54 -14.084 10.157 -21.644 1.00 0.00 O ATOM 877 CB ALA A 54 -11.327 11.911 -22.069 1.00 0.00 C ATOM 0 H ALA A 54 -10.507 10.555 -23.946 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.571 9.894 -21.417 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -11.850 12.332 -21.210 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -10.254 11.911 -21.876 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -11.536 12.514 -22.952 1.00 0.00 H new ATOM 883 N GLU A 55 -13.693 10.804 -23.768 1.00 0.00 N ATOM 884 CA GLU A 55 -15.095 10.810 -24.177 1.00 0.00 C ATOM 885 C GLU A 55 -15.648 9.390 -24.197 1.00 0.00 C ATOM 886 O GLU A 55 -16.804 9.164 -23.837 1.00 0.00 O ATOM 887 CB GLU A 55 -15.261 11.458 -25.555 1.00 0.00 C ATOM 888 CG GLU A 55 -16.714 11.574 -26.002 1.00 0.00 C ATOM 889 CD GLU A 55 -16.864 12.248 -27.352 1.00 0.00 C ATOM 890 OE1 GLU A 55 -15.831 12.619 -27.951 1.00 0.00 O ATOM 891 OE2 GLU A 55 -18.014 12.404 -27.810 1.00 0.00 O ATOM 0 H GLU A 55 -13.045 11.083 -24.505 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.656 11.399 -23.451 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.815 12.452 -25.536 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.708 10.874 -26.291 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.155 10.578 -26.048 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.275 12.137 -25.256 1.00 0.00 H new ATOM 898 N GLU A 56 -14.817 8.440 -24.623 1.00 0.00 N ATOM 899 CA GLU A 56 -15.224 7.040 -24.687 1.00 0.00 C ATOM 900 C GLU A 56 -15.612 6.544 -23.294 1.00 0.00 C ATOM 901 O GLU A 56 -16.574 5.794 -23.142 1.00 0.00 O ATOM 902 CB GLU A 56 -14.102 6.167 -25.259 1.00 0.00 C ATOM 903 CG GLU A 56 -13.795 6.429 -26.730 1.00 0.00 C ATOM 904 CD GLU A 56 -12.765 5.472 -27.296 1.00 0.00 C ATOM 905 OE1 GLU A 56 -12.256 4.625 -26.530 1.00 0.00 O ATOM 906 OE2 GLU A 56 -12.464 5.570 -28.504 1.00 0.00 O ATOM 0 H GLU A 56 -13.860 8.615 -24.928 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.086 6.966 -25.350 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.196 6.331 -24.675 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.374 5.119 -25.137 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.715 6.348 -27.308 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.435 7.452 -26.845 1.00 0.00 H new ATOM 913 N ASP A 57 -14.858 6.964 -22.278 1.00 0.00 N ATOM 914 CA ASP A 57 -15.163 6.570 -20.902 1.00 0.00 C ATOM 915 C ASP A 57 -15.969 7.660 -20.190 1.00 0.00 C ATOM 916 O ASP A 57 -16.166 7.601 -18.976 1.00 0.00 O ATOM 917 CB ASP A 57 -13.889 6.226 -20.118 1.00 0.00 C ATOM 918 CG ASP A 57 -13.259 4.920 -20.560 1.00 0.00 C ATOM 919 OD1 ASP A 57 -13.933 4.138 -21.262 1.00 0.00 O ATOM 920 OD2 ASP A 57 -12.085 4.678 -20.199 1.00 0.00 O ATOM 0 H ASP A 57 -14.043 7.569 -22.378 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.773 5.668 -20.944 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.165 7.032 -20.239 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.127 6.168 -19.056 1.00 0.00 H new ATOM 925 N LYS A 58 -16.429 8.645 -20.971 1.00 0.00 N ATOM 926 CA LYS A 58 -17.252 9.758 -20.473 1.00 0.00 C ATOM 927 C LYS A 58 -16.642 10.465 -19.262 1.00 0.00 C ATOM 928 O LYS A 58 -17.300 10.646 -18.235 1.00 0.00 O ATOM 929 CB LYS A 58 -18.668 9.270 -20.155 1.00 0.00 C ATOM 930 CG LYS A 58 -19.426 8.784 -21.381 1.00 0.00 C ATOM 931 CD LYS A 58 -20.829 8.321 -21.024 1.00 0.00 C ATOM 932 CE LYS A 58 -21.570 7.796 -22.243 1.00 0.00 C ATOM 933 NZ LYS A 58 -21.759 8.851 -23.277 1.00 0.00 N ATOM 0 H LYS A 58 -16.241 8.694 -21.972 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.293 10.499 -21.272 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.611 8.461 -19.427 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.228 10.080 -19.688 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.483 9.587 -22.116 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -18.879 7.964 -21.846 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.773 7.539 -20.266 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.386 9.150 -20.587 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -21.016 6.962 -22.673 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.542 7.409 -21.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -22.436 8.518 -23.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.126 9.715 -22.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.847 9.058 -23.732 1.00 0.00 H new ATOM 947 N ILE A 59 -15.388 10.869 -19.391 1.00 0.00 N ATOM 948 CA ILE A 59 -14.698 11.564 -18.313 1.00 0.00 C ATOM 949 C ILE A 59 -14.980 13.065 -18.378 1.00 0.00 C ATOM 950 O ILE A 59 -14.489 13.764 -19.266 1.00 0.00 O ATOM 951 CB ILE A 59 -13.174 11.320 -18.392 1.00 0.00 C ATOM 952 CG1 ILE A 59 -12.876 9.818 -18.353 1.00 0.00 C ATOM 953 CG2 ILE A 59 -12.448 12.041 -17.263 1.00 0.00 C ATOM 954 CD1 ILE A 59 -13.361 9.132 -17.093 1.00 0.00 C ATOM 0 H ILE A 59 -14.826 10.728 -20.231 1.00 0.00 H new ATOM 0 HA ILE A 59 -15.070 11.170 -17.367 1.00 0.00 H new ATOM 0 HB ILE A 59 -12.810 11.724 -19.337 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -13.341 9.342 -19.217 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -11.800 9.668 -18.447 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -11.377 11.853 -17.341 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -12.635 13.112 -17.336 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -12.812 11.674 -16.303 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -13.114 8.071 -17.138 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -12.877 9.580 -16.225 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -14.441 9.250 -17.007 1.00 0.00 H new ATOM 966 N LEU A 60 -15.782 13.552 -17.434 1.00 0.00 N ATOM 967 CA LEU A 60 -16.136 14.969 -17.385 1.00 0.00 C ATOM 968 C LEU A 60 -15.390 15.705 -16.273 1.00 0.00 C ATOM 969 O LEU A 60 -15.410 16.934 -16.212 1.00 0.00 O ATOM 970 CB LEU A 60 -17.646 15.131 -17.192 1.00 0.00 C ATOM 971 CG LEU A 60 -18.518 14.504 -18.285 1.00 0.00 C ATOM 972 CD1 LEU A 60 -19.991 14.658 -17.945 1.00 0.00 C ATOM 973 CD2 LEU A 60 -18.215 15.133 -19.638 1.00 0.00 C ATOM 0 H LEU A 60 -16.199 12.988 -16.694 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.839 15.412 -18.336 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -17.922 14.691 -16.234 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.876 16.195 -17.133 1.00 0.00 H new ATOM 0 HG LEU A 60 -18.286 13.440 -18.341 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -20.595 14.207 -18.732 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -20.200 14.161 -16.998 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -20.236 15.717 -17.861 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -18.844 14.675 -20.401 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -18.418 16.203 -19.595 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -17.166 14.972 -19.887 1.00 0.00 H new ATOM 985 N ALA A 61 -14.732 14.955 -15.393 1.00 0.00 N ATOM 986 CA ALA A 61 -13.991 15.553 -14.287 1.00 0.00 C ATOM 987 C ALA A 61 -12.661 14.844 -14.073 1.00 0.00 C ATOM 988 O ALA A 61 -12.589 13.621 -14.128 1.00 0.00 O ATOM 989 CB ALA A 61 -14.821 15.509 -13.010 1.00 0.00 C ATOM 0 H ALA A 61 -14.697 13.936 -15.424 1.00 0.00 H new ATOM 0 HA ALA A 61 -13.785 16.593 -14.541 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.256 15.958 -12.193 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.747 16.064 -13.159 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.054 14.473 -12.763 1.00 0.00 H new ATOM 995 N THR A 62 -11.615 15.623 -13.813 1.00 0.00 N ATOM 996 CA THR A 62 -10.284 15.090 -13.587 1.00 0.00 C ATOM 997 C THR A 62 -9.650 15.739 -12.357 1.00 0.00 C ATOM 998 O THR A 62 -9.923 16.902 -12.054 1.00 0.00 O ATOM 999 CB THR A 62 -9.357 15.357 -14.792 1.00 0.00 C ATOM 1000 OG1 THR A 62 -9.308 16.762 -15.061 1.00 0.00 O ATOM 1001 CG2 THR A 62 -9.818 14.618 -16.041 1.00 0.00 C ATOM 0 H THR A 62 -11.671 16.640 -13.754 1.00 0.00 H new ATOM 0 HA THR A 62 -10.394 14.015 -13.440 1.00 0.00 H new ATOM 0 HB THR A 62 -8.365 14.988 -14.532 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.774 16.950 -15.902 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.137 14.835 -16.864 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.824 13.545 -15.848 1.00 0.00 H new ATOM 0 HG23 THR A 62 -10.823 14.944 -16.307 1.00 0.00 H new ATOM 1009 N PRO A 63 -8.793 14.999 -11.636 1.00 0.00 N ATOM 1010 CA PRO A 63 -8.479 13.608 -11.962 1.00 0.00 C ATOM 1011 C PRO A 63 -9.606 12.646 -11.586 1.00 0.00 C ATOM 1012 O PRO A 63 -10.379 12.893 -10.660 1.00 0.00 O ATOM 1013 CB PRO A 63 -7.225 13.327 -11.138 1.00 0.00 C ATOM 1014 CG PRO A 63 -7.312 14.252 -9.978 1.00 0.00 C ATOM 1015 CD PRO A 63 -8.038 15.480 -10.463 1.00 0.00 C ATOM 0 HA PRO A 63 -8.340 13.462 -13.033 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.192 12.287 -10.812 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -6.321 13.508 -11.720 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -7.847 13.787 -9.150 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.318 14.509 -9.611 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.701 15.882 -9.697 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.343 16.276 -10.732 1.00 0.00 H new ATOM 1023 N THR A 64 -9.683 11.549 -12.319 1.00 0.00 N ATOM 1024 CA THR A 64 -10.685 10.517 -12.077 1.00 0.00 C ATOM 1025 C THR A 64 -9.993 9.196 -11.762 1.00 0.00 C ATOM 1026 O THR A 64 -9.172 8.718 -12.543 1.00 0.00 O ATOM 1027 CB THR A 64 -11.604 10.299 -13.297 1.00 0.00 C ATOM 1028 OG1 THR A 64 -11.402 11.339 -14.256 1.00 0.00 O ATOM 1029 CG2 THR A 64 -13.068 10.252 -12.884 1.00 0.00 C ATOM 0 H THR A 64 -9.056 11.346 -13.097 1.00 0.00 H new ATOM 0 HA THR A 64 -11.295 10.853 -11.238 1.00 0.00 H new ATOM 0 HB THR A 64 -11.346 9.339 -13.745 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.974 12.103 -14.035 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.690 10.097 -13.766 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.222 9.432 -12.183 1.00 0.00 H new ATOM 0 HG23 THR A 64 -13.342 11.193 -12.407 1.00 0.00 H new ATOM 1037 N LEU A 65 -10.318 8.611 -10.621 1.00 0.00 N ATOM 1038 CA LEU A 65 -9.721 7.345 -10.221 1.00 0.00 C ATOM 1039 C LEU A 65 -10.735 6.222 -10.397 1.00 0.00 C ATOM 1040 O LEU A 65 -11.788 6.232 -9.768 1.00 0.00 O ATOM 1041 CB LEU A 65 -9.263 7.420 -8.759 1.00 0.00 C ATOM 1042 CG LEU A 65 -8.576 6.160 -8.223 1.00 0.00 C ATOM 1043 CD1 LEU A 65 -7.308 5.871 -9.011 1.00 0.00 C ATOM 1044 CD2 LEU A 65 -8.257 6.316 -6.743 1.00 0.00 C ATOM 0 H LEU A 65 -10.991 8.991 -9.955 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.854 7.143 -10.849 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.577 8.261 -8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.130 7.635 -8.134 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.258 5.318 -8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.832 4.973 -8.618 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.559 5.719 -10.061 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.623 6.714 -8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.769 5.412 -6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.593 7.169 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.180 6.479 -6.187 1.00 0.00 H new ATOM 1056 N ALA A 66 -10.425 5.257 -11.254 1.00 0.00 N ATOM 1057 CA ALA A 66 -11.339 4.146 -11.488 1.00 0.00 C ATOM 1058 C ALA A 66 -10.597 2.832 -11.676 1.00 0.00 C ATOM 1059 O ALA A 66 -9.564 2.768 -12.338 1.00 0.00 O ATOM 1060 CB ALA A 66 -12.215 4.414 -12.701 1.00 0.00 C ATOM 0 H ALA A 66 -9.559 5.220 -11.792 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.967 4.059 -10.601 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.889 3.572 -12.856 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.798 5.320 -12.536 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.587 4.543 -13.582 1.00 0.00 H new ATOM 1066 N LYS A 67 -11.147 1.784 -11.080 1.00 0.00 N ATOM 1067 CA LYS A 67 -10.582 0.455 -11.193 1.00 0.00 C ATOM 1068 C LYS A 67 -11.399 -0.299 -12.227 1.00 0.00 C ATOM 1069 O LYS A 67 -12.536 -0.693 -11.961 1.00 0.00 O ATOM 1070 CB LYS A 67 -10.618 -0.250 -9.826 1.00 0.00 C ATOM 1071 CG LYS A 67 -10.149 -1.704 -9.840 1.00 0.00 C ATOM 1072 CD LYS A 67 -11.316 -2.677 -9.734 1.00 0.00 C ATOM 1073 CE LYS A 67 -11.432 -3.280 -8.341 1.00 0.00 C ATOM 1074 NZ LYS A 67 -12.523 -4.291 -8.272 1.00 0.00 N ATOM 0 H LYS A 67 -11.991 1.834 -10.509 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.539 0.496 -11.506 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.996 0.310 -9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.638 -0.216 -9.443 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.596 -1.899 -10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.460 -1.871 -9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.243 -2.160 -9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.190 -3.475 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.486 -3.745 -8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.622 -2.489 -7.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.226 -5.081 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.378 -3.852 -7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.728 -4.647 -9.228 1.00 0.00 H new ATOM 1088 N VAL A 68 -10.839 -0.471 -13.411 1.00 0.00 N ATOM 1089 CA VAL A 68 -11.548 -1.148 -14.485 1.00 0.00 C ATOM 1090 C VAL A 68 -11.494 -2.663 -14.337 1.00 0.00 C ATOM 1091 O VAL A 68 -12.409 -3.368 -14.764 1.00 0.00 O ATOM 1092 CB VAL A 68 -11.003 -0.733 -15.866 1.00 0.00 C ATOM 1093 CG1 VAL A 68 -11.263 0.745 -16.117 1.00 0.00 C ATOM 1094 CG2 VAL A 68 -9.517 -1.045 -15.987 1.00 0.00 C ATOM 0 H VAL A 68 -9.901 -0.154 -13.654 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.591 -0.839 -14.414 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.529 -1.312 -16.625 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.872 1.022 -17.096 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.336 0.936 -16.087 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -10.768 1.337 -15.348 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.160 -0.742 -16.971 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.967 -0.502 -15.218 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.358 -2.116 -15.858 1.00 0.00 H new ATOM 1104 N LEU A 69 -10.425 -3.161 -13.728 1.00 0.00 N ATOM 1105 CA LEU A 69 -10.269 -4.601 -13.541 1.00 0.00 C ATOM 1106 C LEU A 69 -9.790 -4.925 -12.131 1.00 0.00 C ATOM 1107 O LEU A 69 -8.897 -4.257 -11.613 1.00 0.00 O ATOM 1108 CB LEU A 69 -9.278 -5.174 -14.563 1.00 0.00 C ATOM 1109 CG LEU A 69 -9.701 -5.060 -16.032 1.00 0.00 C ATOM 1110 CD1 LEU A 69 -8.562 -5.477 -16.948 1.00 0.00 C ATOM 1111 CD2 LEU A 69 -10.936 -5.909 -16.301 1.00 0.00 C ATOM 0 H LEU A 69 -9.660 -2.597 -13.358 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.247 -5.059 -13.691 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.321 -4.666 -14.439 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.113 -6.226 -14.332 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.947 -4.018 -16.238 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.880 -5.390 -17.987 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.702 -4.830 -16.776 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.286 -6.511 -16.738 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.221 -5.815 -17.349 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.716 -6.953 -16.077 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.757 -5.568 -15.670 1.00 0.00 H new ATOM 1123 N PRO A 70 -10.365 -5.961 -11.490 1.00 0.00 N ATOM 1124 CA PRO A 70 -11.444 -6.776 -12.068 1.00 0.00 C ATOM 1125 C PRO A 70 -12.806 -6.076 -12.007 1.00 0.00 C ATOM 1126 O PRO A 70 -13.019 -5.200 -11.167 1.00 0.00 O ATOM 1127 CB PRO A 70 -11.437 -8.021 -11.179 1.00 0.00 C ATOM 1128 CG PRO A 70 -10.986 -7.521 -9.851 1.00 0.00 C ATOM 1129 CD PRO A 70 -9.991 -6.427 -10.140 1.00 0.00 C ATOM 0 HA PRO A 70 -11.287 -6.982 -13.127 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -12.427 -8.473 -11.119 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.762 -8.784 -11.567 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.827 -7.141 -9.270 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.530 -8.320 -9.267 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.056 -5.623 -9.407 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.967 -6.800 -10.115 1.00 0.00 H new ATOM 1137 N PRO A 71 -13.742 -6.454 -12.897 1.00 0.00 N ATOM 1138 CA PRO A 71 -15.090 -5.868 -12.932 1.00 0.00 C ATOM 1139 C PRO A 71 -15.925 -6.267 -11.710 1.00 0.00 C ATOM 1140 O PRO A 71 -15.665 -7.300 -11.092 1.00 0.00 O ATOM 1141 CB PRO A 71 -15.696 -6.449 -14.213 1.00 0.00 C ATOM 1142 CG PRO A 71 -14.960 -7.725 -14.426 1.00 0.00 C ATOM 1143 CD PRO A 71 -13.559 -7.461 -13.958 1.00 0.00 C ATOM 0 HA PRO A 71 -15.065 -4.778 -12.916 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.767 -6.622 -14.103 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.567 -5.771 -15.056 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.415 -8.540 -13.863 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.975 -8.016 -15.476 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.085 -8.365 -13.577 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -12.929 -7.086 -14.765 1.00 0.00 H new ATOM 1151 N PRO A 72 -16.948 -5.466 -11.344 1.00 0.00 N ATOM 1152 CA PRO A 72 -17.323 -4.226 -12.049 1.00 0.00 C ATOM 1153 C PRO A 72 -16.343 -3.075 -11.825 1.00 0.00 C ATOM 1154 O PRO A 72 -15.533 -3.102 -10.898 1.00 0.00 O ATOM 1155 CB PRO A 72 -18.689 -3.887 -11.445 1.00 0.00 C ATOM 1156 CG PRO A 72 -18.636 -4.458 -10.072 1.00 0.00 C ATOM 1157 CD PRO A 72 -17.833 -5.724 -10.188 1.00 0.00 C ATOM 0 HA PRO A 72 -17.327 -4.368 -13.130 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -18.857 -2.810 -11.422 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -19.501 -4.324 -12.027 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.169 -3.761 -9.376 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -19.638 -4.663 -9.694 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.262 -5.921 -9.281 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -18.472 -6.591 -10.357 1.00 0.00 H new ATOM 1165 N VAL A 73 -16.427 -2.066 -12.689 1.00 0.00 N ATOM 1166 CA VAL A 73 -15.551 -0.902 -12.605 1.00 0.00 C ATOM 1167 C VAL A 73 -15.898 -0.040 -11.390 1.00 0.00 C ATOM 1168 O VAL A 73 -17.052 0.348 -11.197 1.00 0.00 O ATOM 1169 CB VAL A 73 -15.646 -0.044 -13.890 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -14.764 1.194 -13.794 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -15.280 -0.872 -15.114 1.00 0.00 C ATOM 0 H VAL A 73 -17.096 -2.032 -13.458 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.530 -1.270 -12.498 1.00 0.00 H new ATOM 0 HB VAL A 73 -16.678 0.290 -13.994 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.852 1.776 -14.711 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -15.081 1.802 -12.947 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.726 0.891 -13.655 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -15.353 -0.252 -16.008 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.260 -1.242 -15.011 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.965 -1.715 -15.201 1.00 0.00 H new ATOM 1181 N ARG A 74 -14.888 0.254 -10.580 1.00 0.00 N ATOM 1182 CA ARG A 74 -15.067 1.065 -9.380 1.00 0.00 C ATOM 1183 C ARG A 74 -14.478 2.453 -9.565 1.00 0.00 C ATOM 1184 O ARG A 74 -13.278 2.603 -9.773 1.00 0.00 O ATOM 1185 CB ARG A 74 -14.410 0.370 -8.179 1.00 0.00 C ATOM 1186 CG ARG A 74 -14.357 1.221 -6.916 1.00 0.00 C ATOM 1187 CD ARG A 74 -15.749 1.560 -6.396 1.00 0.00 C ATOM 1188 NE ARG A 74 -15.699 2.378 -5.186 1.00 0.00 N ATOM 1189 CZ ARG A 74 -15.582 1.879 -3.956 1.00 0.00 C ATOM 1190 NH1 ARG A 74 -15.511 0.566 -3.772 1.00 0.00 N ATOM 1191 NH2 ARG A 74 -15.541 2.695 -2.913 1.00 0.00 N ATOM 0 H ARG A 74 -13.930 -0.059 -10.734 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.136 1.173 -9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.956 -0.548 -7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -13.395 0.081 -8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.801 0.689 -6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.813 2.143 -7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.305 2.090 -7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.292 0.638 -6.188 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.757 3.391 -5.289 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.546 -0.064 -4.573 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -15.421 0.187 -2.829 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.599 3.704 -3.052 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.451 2.314 -1.971 1.00 0.00 H new ATOM 1205 N ARG A 75 -15.325 3.470 -9.476 1.00 0.00 N ATOM 1206 CA ARG A 75 -14.864 4.839 -9.616 1.00 0.00 C ATOM 1207 C ARG A 75 -14.806 5.520 -8.258 1.00 0.00 C ATOM 1208 O ARG A 75 -15.804 5.608 -7.542 1.00 0.00 O ATOM 1209 CB ARG A 75 -15.757 5.639 -10.557 1.00 0.00 C ATOM 1210 CG ARG A 75 -15.610 5.250 -12.016 1.00 0.00 C ATOM 1211 CD ARG A 75 -16.534 6.063 -12.901 1.00 0.00 C ATOM 1212 NE ARG A 75 -17.939 5.720 -12.694 1.00 0.00 N ATOM 1213 CZ ARG A 75 -18.948 6.347 -13.292 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -18.705 7.343 -14.136 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -20.199 5.977 -13.048 1.00 0.00 N ATOM 0 H ARG A 75 -16.326 3.372 -9.309 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.863 4.805 -10.047 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.797 5.506 -10.258 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.527 6.699 -10.448 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.577 5.399 -12.332 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -15.830 4.189 -12.135 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.387 7.124 -12.699 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -16.272 5.898 -13.946 1.00 0.00 H new ATOM 0 HE ARG A 75 -18.159 4.956 -12.055 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.744 7.628 -14.326 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.479 7.823 -14.594 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -20.387 5.211 -12.401 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -20.972 6.459 -13.507 1.00 0.00 H new ATOM 1229 N ILE A 76 -13.625 5.995 -7.918 1.00 0.00 N ATOM 1230 CA ILE A 76 -13.400 6.678 -6.655 1.00 0.00 C ATOM 1231 C ILE A 76 -13.281 8.184 -6.893 1.00 0.00 C ATOM 1232 O ILE A 76 -12.369 8.641 -7.587 1.00 0.00 O ATOM 1233 CB ILE A 76 -12.125 6.153 -5.972 1.00 0.00 C ATOM 1234 CG1 ILE A 76 -12.237 4.640 -5.778 1.00 0.00 C ATOM 1235 CG2 ILE A 76 -11.899 6.853 -4.636 1.00 0.00 C ATOM 1236 CD1 ILE A 76 -10.984 4.008 -5.237 1.00 0.00 C ATOM 0 H ILE A 76 -12.795 5.920 -8.506 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.248 6.482 -5.999 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.267 6.368 -6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.063 4.429 -5.098 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.484 4.177 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.992 6.466 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.793 7.925 -4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.750 6.669 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.137 2.935 -5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.159 4.187 -5.927 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.747 4.444 -4.266 1.00 0.00 H new ATOM 1248 N ILE A 77 -14.203 8.952 -6.320 1.00 0.00 N ATOM 1249 CA ILE A 77 -14.198 10.403 -6.488 1.00 0.00 C ATOM 1250 C ILE A 77 -13.986 11.101 -5.147 1.00 0.00 C ATOM 1251 O ILE A 77 -14.706 10.846 -4.183 1.00 0.00 O ATOM 1252 CB ILE A 77 -15.517 10.903 -7.125 1.00 0.00 C ATOM 1253 CG1 ILE A 77 -15.782 10.191 -8.459 1.00 0.00 C ATOM 1254 CG2 ILE A 77 -15.483 12.414 -7.332 1.00 0.00 C ATOM 1255 CD1 ILE A 77 -14.702 10.413 -9.499 1.00 0.00 C ATOM 0 H ILE A 77 -14.961 8.596 -5.737 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.373 10.648 -7.157 1.00 0.00 H new ATOM 0 HB ILE A 77 -16.330 10.667 -6.438 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.881 9.121 -8.275 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -16.735 10.535 -8.860 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.421 12.741 -7.781 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.348 12.910 -6.371 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -14.655 12.672 -7.993 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -14.961 9.878 -10.413 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -14.617 11.478 -9.714 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -13.750 10.042 -9.120 1.00 0.00 H new ATOM 1267 N GLY A 78 -12.988 11.977 -5.094 1.00 0.00 N ATOM 1268 CA GLY A 78 -12.692 12.697 -3.872 1.00 0.00 C ATOM 1269 C GLY A 78 -11.363 13.415 -3.949 1.00 0.00 C ATOM 1270 O GLY A 78 -10.825 13.609 -5.041 1.00 0.00 O ATOM 0 H GLY A 78 -12.377 12.201 -5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.484 13.419 -3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.680 12.000 -3.034 1.00 0.00 H new ATOM 1274 N ASP A 79 -10.827 13.809 -2.800 1.00 0.00 N ATOM 1275 CA ASP A 79 -9.542 14.500 -2.761 1.00 0.00 C ATOM 1276 C ASP A 79 -8.416 13.474 -2.823 1.00 0.00 C ATOM 1277 O ASP A 79 -8.064 12.861 -1.816 1.00 0.00 O ATOM 1278 CB ASP A 79 -9.425 15.338 -1.481 1.00 0.00 C ATOM 1279 CG ASP A 79 -8.148 16.158 -1.422 1.00 0.00 C ATOM 1280 OD1 ASP A 79 -7.385 16.155 -2.412 1.00 0.00 O ATOM 1281 OD2 ASP A 79 -7.907 16.801 -0.379 1.00 0.00 O ATOM 0 H ASP A 79 -11.258 13.663 -1.887 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.469 15.170 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -10.283 16.007 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.466 14.677 -0.616 1.00 0.00 H new ATOM 1286 N LEU A 80 -7.848 13.302 -4.012 1.00 0.00 N ATOM 1287 CA LEU A 80 -6.779 12.329 -4.213 1.00 0.00 C ATOM 1288 C LEU A 80 -5.403 12.909 -3.891 1.00 0.00 C ATOM 1289 O LEU A 80 -4.404 12.194 -3.931 1.00 0.00 O ATOM 1290 CB LEU A 80 -6.787 11.815 -5.655 1.00 0.00 C ATOM 1291 CG LEU A 80 -8.065 11.100 -6.095 1.00 0.00 C ATOM 1292 CD1 LEU A 80 -7.979 10.728 -7.567 1.00 0.00 C ATOM 1293 CD2 LEU A 80 -8.308 9.862 -5.245 1.00 0.00 C ATOM 0 H LEU A 80 -8.109 13.822 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.968 11.505 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.616 12.659 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.947 11.132 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.906 11.779 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.895 10.220 -7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.853 11.631 -8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.128 10.066 -7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.222 9.368 -5.575 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.467 9.177 -5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.409 10.153 -4.199 1.00 0.00 H new ATOM 1305 N SER A 81 -5.348 14.203 -3.593 1.00 0.00 N ATOM 1306 CA SER A 81 -4.082 14.848 -3.254 1.00 0.00 C ATOM 1307 C SER A 81 -3.588 14.353 -1.895 1.00 0.00 C ATOM 1308 O SER A 81 -2.412 14.483 -1.557 1.00 0.00 O ATOM 1309 CB SER A 81 -4.235 16.370 -3.249 1.00 0.00 C ATOM 1310 OG SER A 81 -4.586 16.851 -4.536 1.00 0.00 O ATOM 0 H SER A 81 -6.158 14.823 -3.579 1.00 0.00 H new ATOM 0 HA SER A 81 -3.344 14.585 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.999 16.660 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.302 16.832 -2.927 1.00 0.00 H new ATOM 0 HG SER A 81 -4.680 17.826 -4.506 1.00 0.00 H new ATOM 1316 N ASN A 82 -4.516 13.808 -1.114 1.00 0.00 N ATOM 1317 CA ASN A 82 -4.201 13.257 0.198 1.00 0.00 C ATOM 1318 C ASN A 82 -3.774 11.801 0.045 1.00 0.00 C ATOM 1319 O ASN A 82 -4.553 10.961 -0.415 1.00 0.00 O ATOM 1320 CB ASN A 82 -5.410 13.372 1.129 1.00 0.00 C ATOM 1321 CG ASN A 82 -5.127 12.887 2.543 1.00 0.00 C ATOM 1322 OD1 ASN A 82 -4.001 12.521 2.881 1.00 0.00 O ATOM 1323 ND2 ASN A 82 -6.155 12.881 3.381 1.00 0.00 N ATOM 0 H ASN A 82 -5.500 13.736 -1.371 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.381 13.823 0.641 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -5.733 14.412 1.167 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.237 12.796 0.713 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.027 12.566 4.343 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -7.073 13.192 3.064 1.00 0.00 H new ATOM 1330 N ARG A 83 -2.535 11.511 0.434 1.00 0.00 N ATOM 1331 CA ARG A 83 -1.985 10.162 0.316 1.00 0.00 C ATOM 1332 C ARG A 83 -2.801 9.148 1.113 1.00 0.00 C ATOM 1333 O ARG A 83 -2.953 8.006 0.682 1.00 0.00 O ATOM 1334 CB ARG A 83 -0.517 10.128 0.747 1.00 0.00 C ATOM 1335 CG ARG A 83 0.430 10.800 -0.238 1.00 0.00 C ATOM 1336 CD ARG A 83 1.032 12.069 0.345 1.00 0.00 C ATOM 1337 NE ARG A 83 0.175 13.230 0.117 1.00 0.00 N ATOM 1338 CZ ARG A 83 0.252 14.357 0.814 1.00 0.00 C ATOM 1339 NH1 ARG A 83 1.145 14.481 1.787 1.00 0.00 N ATOM 1340 NH2 ARG A 83 -0.565 15.365 0.533 1.00 0.00 N ATOM 0 H ARG A 83 -1.891 12.193 0.835 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.042 9.881 -0.736 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.422 10.615 1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.211 9.090 0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.228 10.108 -0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.107 11.039 -1.156 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.190 11.938 1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.010 12.246 -0.102 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.525 13.171 -0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.776 13.709 2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.201 15.349 2.320 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.250 15.272 -0.217 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.508 16.232 1.067 1.00 0.00 H new ATOM 1354 N GLU A 84 -3.322 9.552 2.270 1.00 0.00 N ATOM 1355 CA GLU A 84 -4.123 8.648 3.093 1.00 0.00 C ATOM 1356 C GLU A 84 -5.363 8.146 2.359 1.00 0.00 C ATOM 1357 O GLU A 84 -5.653 6.957 2.402 1.00 0.00 O ATOM 1358 CB GLU A 84 -4.539 9.328 4.395 1.00 0.00 C ATOM 1359 CG GLU A 84 -3.401 9.479 5.387 1.00 0.00 C ATOM 1360 CD GLU A 84 -3.762 10.359 6.568 1.00 0.00 C ATOM 1361 OE1 GLU A 84 -4.775 11.087 6.478 1.00 0.00 O ATOM 1362 OE2 GLU A 84 -3.037 10.319 7.582 1.00 0.00 O ATOM 0 H GLU A 84 -3.206 10.489 2.656 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.494 7.787 3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.946 10.313 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.340 8.751 4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.109 8.494 5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.535 9.901 4.877 1.00 0.00 H new ATOM 1369 N LYS A 85 -6.088 9.030 1.673 1.00 0.00 N ATOM 1370 CA LYS A 85 -7.284 8.594 0.950 1.00 0.00 C ATOM 1371 C LYS A 85 -6.919 7.635 -0.175 1.00 0.00 C ATOM 1372 O LYS A 85 -7.613 6.640 -0.390 1.00 0.00 O ATOM 1373 CB LYS A 85 -8.086 9.771 0.396 1.00 0.00 C ATOM 1374 CG LYS A 85 -8.815 10.592 1.445 1.00 0.00 C ATOM 1375 CD LYS A 85 -9.584 11.730 0.794 1.00 0.00 C ATOM 1376 CE LYS A 85 -10.252 12.622 1.829 1.00 0.00 C ATOM 1377 NZ LYS A 85 -11.260 11.880 2.635 1.00 0.00 N ATOM 0 H LYS A 85 -5.877 10.025 1.602 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.915 8.074 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.411 10.426 -0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.815 9.391 -0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.501 9.954 2.002 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.099 10.993 2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.905 12.326 0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.340 11.322 0.123 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.494 13.040 2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -10.735 13.461 1.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.798 12.550 3.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.910 11.376 1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.777 11.194 3.250 1.00 0.00 H new ATOM 1391 N VAL A 86 -5.841 7.927 -0.888 1.00 0.00 N ATOM 1392 CA VAL A 86 -5.391 7.058 -1.966 1.00 0.00 C ATOM 1393 C VAL A 86 -4.980 5.689 -1.415 1.00 0.00 C ATOM 1394 O VAL A 86 -5.376 4.654 -1.947 1.00 0.00 O ATOM 1395 CB VAL A 86 -4.223 7.695 -2.754 1.00 0.00 C ATOM 1396 CG1 VAL A 86 -3.630 6.707 -3.746 1.00 0.00 C ATOM 1397 CG2 VAL A 86 -4.708 8.947 -3.468 1.00 0.00 C ATOM 0 H VAL A 86 -5.264 8.755 -0.741 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.225 6.924 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.437 7.969 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.811 7.181 -4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.255 5.835 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.399 6.396 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.882 9.393 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.509 8.684 -4.159 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.081 9.662 -2.735 1.00 0.00 H new ATOM 1407 N LEU A 87 -4.204 5.698 -0.332 1.00 0.00 N ATOM 1408 CA LEU A 87 -3.747 4.470 0.307 1.00 0.00 C ATOM 1409 C LEU A 87 -4.913 3.670 0.893 1.00 0.00 C ATOM 1410 O LEU A 87 -5.009 2.462 0.678 1.00 0.00 O ATOM 1411 CB LEU A 87 -2.725 4.811 1.397 1.00 0.00 C ATOM 1412 CG LEU A 87 -2.260 3.643 2.263 1.00 0.00 C ATOM 1413 CD1 LEU A 87 -1.538 2.595 1.431 1.00 0.00 C ATOM 1414 CD2 LEU A 87 -1.373 4.147 3.394 1.00 0.00 C ATOM 0 H LEU A 87 -3.878 6.551 0.122 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.275 3.844 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.851 5.257 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.157 5.571 2.048 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.139 3.168 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.219 1.776 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.211 2.212 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.666 3.045 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.048 3.305 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.501 4.650 2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.934 4.848 4.012 1.00 0.00 H new ATOM 1426 N ILE A 88 -5.792 4.347 1.626 1.00 0.00 N ATOM 1427 CA ILE A 88 -6.942 3.690 2.244 1.00 0.00 C ATOM 1428 C ILE A 88 -7.890 3.096 1.196 1.00 0.00 C ATOM 1429 O ILE A 88 -8.311 1.943 1.318 1.00 0.00 O ATOM 1430 CB ILE A 88 -7.695 4.668 3.174 1.00 0.00 C ATOM 1431 CG1 ILE A 88 -6.827 4.962 4.402 1.00 0.00 C ATOM 1432 CG2 ILE A 88 -9.049 4.102 3.589 1.00 0.00 C ATOM 1433 CD1 ILE A 88 -7.292 6.147 5.218 1.00 0.00 C ATOM 0 H ILE A 88 -5.731 5.349 1.807 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.563 2.863 2.845 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.885 5.596 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.810 4.079 5.041 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.802 5.139 4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.555 4.812 4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -9.658 3.928 2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -8.903 3.161 4.119 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.625 6.288 6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.282 7.043 4.597 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.305 5.966 5.578 1.00 0.00 H new ATOM 1445 N ALA A 89 -8.216 3.875 0.164 1.00 0.00 N ATOM 1446 CA ALA A 89 -9.107 3.404 -0.895 1.00 0.00 C ATOM 1447 C ALA A 89 -8.499 2.227 -1.655 1.00 0.00 C ATOM 1448 O ALA A 89 -9.194 1.263 -1.981 1.00 0.00 O ATOM 1449 CB ALA A 89 -9.459 4.538 -1.847 1.00 0.00 C ATOM 0 H ALA A 89 -7.878 4.829 0.040 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.025 3.053 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.123 4.165 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.959 5.334 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.548 4.928 -2.301 1.00 0.00 H new ATOM 1455 N LEU A 90 -7.197 2.308 -1.926 1.00 0.00 N ATOM 1456 CA LEU A 90 -6.488 1.243 -2.635 1.00 0.00 C ATOM 1457 C LEU A 90 -6.425 -0.022 -1.779 1.00 0.00 C ATOM 1458 O LEU A 90 -6.521 -1.135 -2.295 1.00 0.00 O ATOM 1459 CB LEU A 90 -5.073 1.698 -3.022 1.00 0.00 C ATOM 1460 CG LEU A 90 -4.905 2.246 -4.445 1.00 0.00 C ATOM 1461 CD1 LEU A 90 -6.017 3.224 -4.806 1.00 0.00 C ATOM 1462 CD2 LEU A 90 -3.547 2.917 -4.581 1.00 0.00 C ATOM 0 H LEU A 90 -6.611 3.101 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.038 1.016 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.756 2.468 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.395 0.854 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.967 1.408 -5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.864 3.591 -5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.981 2.718 -4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.003 4.064 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.432 3.305 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.474 3.738 -3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.760 2.190 -4.380 1.00 0.00 H new ATOM 1474 N ARG A 91 -6.261 0.162 -0.467 1.00 0.00 N ATOM 1475 CA ARG A 91 -6.194 -0.954 0.477 1.00 0.00 C ATOM 1476 C ARG A 91 -7.497 -1.752 0.476 1.00 0.00 C ATOM 1477 O ARG A 91 -7.477 -2.981 0.427 1.00 0.00 O ATOM 1478 CB ARG A 91 -5.912 -0.430 1.890 1.00 0.00 C ATOM 1479 CG ARG A 91 -5.754 -1.526 2.932 1.00 0.00 C ATOM 1480 CD ARG A 91 -5.464 -0.951 4.309 1.00 0.00 C ATOM 1481 NE ARG A 91 -5.293 -1.995 5.316 1.00 0.00 N ATOM 1482 CZ ARG A 91 -6.301 -2.591 5.949 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -7.554 -2.249 5.679 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -6.054 -3.531 6.853 1.00 0.00 N ATOM 0 H ARG A 91 -6.172 1.081 -0.033 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.384 -1.614 0.165 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.004 0.172 1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.725 0.230 2.191 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.664 -2.125 2.971 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.945 -2.194 2.638 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.562 -0.341 4.264 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.280 -0.292 4.605 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.343 -2.285 5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.747 -1.527 4.985 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -8.324 -2.708 6.166 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.092 -3.797 7.063 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.826 -3.988 7.338 1.00 0.00 H new ATOM 1498 N LEU A 92 -8.627 -1.048 0.519 1.00 0.00 N ATOM 1499 CA LEU A 92 -9.937 -1.702 0.518 1.00 0.00 C ATOM 1500 C LEU A 92 -10.177 -2.454 -0.789 1.00 0.00 C ATOM 1501 O LEU A 92 -10.737 -3.551 -0.791 1.00 0.00 O ATOM 1502 CB LEU A 92 -11.054 -0.677 0.751 1.00 0.00 C ATOM 1503 CG LEU A 92 -11.494 -0.502 2.210 1.00 0.00 C ATOM 1504 CD1 LEU A 92 -10.372 0.090 3.051 1.00 0.00 C ATOM 1505 CD2 LEU A 92 -12.736 0.373 2.287 1.00 0.00 C ATOM 0 H LEU A 92 -8.663 -0.029 0.555 1.00 0.00 H new ATOM 0 HA LEU A 92 -9.948 -2.424 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.722 0.289 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.922 -0.970 0.160 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.734 -1.486 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.710 0.204 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -9.508 -0.574 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.093 1.065 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.036 0.488 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.518 1.353 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -13.545 -0.094 1.726 1.00 0.00 H new ATOM 1517 N LEU A 93 -9.751 -1.854 -1.896 1.00 0.00 N ATOM 1518 CA LEU A 93 -9.909 -2.469 -3.215 1.00 0.00 C ATOM 1519 C LEU A 93 -9.059 -3.728 -3.334 1.00 0.00 C ATOM 1520 O LEU A 93 -9.500 -4.740 -3.879 1.00 0.00 O ATOM 1521 CB LEU A 93 -9.521 -1.490 -4.323 1.00 0.00 C ATOM 1522 CG LEU A 93 -10.482 -0.320 -4.534 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -9.883 0.677 -5.513 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -11.829 -0.822 -5.034 1.00 0.00 C ATOM 0 H LEU A 93 -9.293 -0.943 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.960 -2.737 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.532 -1.089 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.438 -2.042 -5.259 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.639 0.183 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -10.575 1.507 -5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.941 1.055 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.703 0.185 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.501 0.024 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.694 -1.345 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -12.258 -1.505 -4.301 1.00 0.00 H new ATOM 1536 N ALA A 94 -7.839 -3.656 -2.801 1.00 0.00 N ATOM 1537 CA ALA A 94 -6.906 -4.773 -2.842 1.00 0.00 C ATOM 1538 C ALA A 94 -7.414 -5.887 -1.962 1.00 0.00 C ATOM 1539 O ALA A 94 -7.261 -7.070 -2.270 1.00 0.00 O ATOM 1540 CB ALA A 94 -5.516 -4.336 -2.410 1.00 0.00 C ATOM 0 H ALA A 94 -7.475 -2.826 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.834 -5.135 -3.868 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -4.838 -5.189 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.156 -3.555 -3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.556 -3.951 -1.391 1.00 0.00 H new ATOM 1546 N GLU A 95 -8.018 -5.486 -0.856 1.00 0.00 N ATOM 1547 CA GLU A 95 -8.583 -6.403 0.102 1.00 0.00 C ATOM 1548 C GLU A 95 -9.692 -7.233 -0.541 1.00 0.00 C ATOM 1549 O GLU A 95 -9.798 -8.439 -0.307 1.00 0.00 O ATOM 1550 CB GLU A 95 -9.121 -5.586 1.278 1.00 0.00 C ATOM 1551 CG GLU A 95 -9.752 -6.419 2.358 1.00 0.00 C ATOM 1552 CD GLU A 95 -10.189 -5.602 3.560 1.00 0.00 C ATOM 1553 OE1 GLU A 95 -9.993 -4.367 3.546 1.00 0.00 O ATOM 1554 OE2 GLU A 95 -10.726 -6.197 4.516 1.00 0.00 O ATOM 0 H GLU A 95 -8.128 -4.504 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.821 -7.099 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.305 -5.007 1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.856 -4.873 0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.616 -6.942 1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.043 -7.181 2.682 1.00 0.00 H new ATOM 1561 N GLU A 96 -10.516 -6.569 -1.347 1.00 0.00 N ATOM 1562 CA GLU A 96 -11.609 -7.232 -2.052 1.00 0.00 C ATOM 1563 C GLU A 96 -11.058 -8.276 -3.020 1.00 0.00 C ATOM 1564 O GLU A 96 -11.606 -9.371 -3.154 1.00 0.00 O ATOM 1565 CB GLU A 96 -12.432 -6.195 -2.826 1.00 0.00 C ATOM 1566 CG GLU A 96 -13.240 -5.262 -1.935 1.00 0.00 C ATOM 1567 CD GLU A 96 -14.230 -5.998 -1.052 1.00 0.00 C ATOM 1568 OE1 GLU A 96 -14.989 -6.836 -1.581 1.00 0.00 O ATOM 1569 OE2 GLU A 96 -14.242 -5.737 0.169 1.00 0.00 O ATOM 0 H GLU A 96 -10.447 -5.568 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 96 -12.247 -7.729 -1.322 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.760 -5.600 -3.444 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.111 -6.715 -3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -12.559 -4.687 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.778 -4.548 -2.559 1.00 0.00 H new ATOM 1576 N ILE A 97 -9.966 -7.913 -3.683 1.00 0.00 N ATOM 1577 CA ILE A 97 -9.306 -8.785 -4.647 1.00 0.00 C ATOM 1578 C ILE A 97 -8.716 -10.013 -3.954 1.00 0.00 C ATOM 1579 O ILE A 97 -8.874 -11.138 -4.427 1.00 0.00 O ATOM 1580 CB ILE A 97 -8.197 -8.006 -5.379 1.00 0.00 C ATOM 1581 CG1 ILE A 97 -8.836 -6.852 -6.142 1.00 0.00 C ATOM 1582 CG2 ILE A 97 -7.417 -8.914 -6.328 1.00 0.00 C ATOM 1583 CD1 ILE A 97 -7.848 -5.838 -6.639 1.00 0.00 C ATOM 0 H ILE A 97 -9.514 -7.006 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.046 -9.125 -5.371 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.487 -7.619 -4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.391 -7.252 -6.991 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.558 -6.355 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -6.641 -8.335 -6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.957 -9.723 -5.761 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -8.096 -9.332 -7.071 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.375 -5.047 -7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.310 -5.409 -5.793 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.140 -6.320 -7.313 1.00 0.00 H new ATOM 1595 N GLY A 98 -8.039 -9.780 -2.829 1.00 0.00 N ATOM 1596 CA GLY A 98 -7.442 -10.867 -2.065 1.00 0.00 C ATOM 1597 C GLY A 98 -8.476 -11.840 -1.529 1.00 0.00 C ATOM 1598 O GLY A 98 -8.220 -13.041 -1.443 1.00 0.00 O ATOM 0 H GLY A 98 -7.893 -8.852 -2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -6.735 -11.405 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -6.873 -10.452 -1.233 1.00 0.00 H new ATOM 1602 N ASP A 99 -9.635 -11.307 -1.147 1.00 0.00 N ATOM 1603 CA ASP A 99 -10.730 -12.118 -0.615 1.00 0.00 C ATOM 1604 C ASP A 99 -11.232 -13.126 -1.648 1.00 0.00 C ATOM 1605 O ASP A 99 -11.552 -14.265 -1.310 1.00 0.00 O ATOM 1606 CB ASP A 99 -11.886 -11.221 -0.165 1.00 0.00 C ATOM 1607 CG ASP A 99 -12.991 -12.000 0.523 1.00 0.00 C ATOM 1608 OD1 ASP A 99 -12.739 -12.541 1.620 1.00 0.00 O ATOM 1609 OD2 ASP A 99 -14.107 -12.061 -0.032 1.00 0.00 O ATOM 0 H ASP A 99 -9.841 -10.309 -1.196 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.345 -12.671 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -11.506 -10.458 0.514 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.297 -10.701 -1.031 1.00 0.00 H new ATOM 1614 N TYR A 100 -11.309 -12.697 -2.904 1.00 0.00 N ATOM 1615 CA TYR A 100 -11.778 -13.563 -3.976 1.00 0.00 C ATOM 1616 C TYR A 100 -10.660 -14.482 -4.454 1.00 0.00 C ATOM 1617 O TYR A 100 -9.652 -14.030 -5.000 1.00 0.00 O ATOM 1618 CB TYR A 100 -12.305 -12.722 -5.145 1.00 0.00 C ATOM 1619 CG TYR A 100 -12.827 -13.546 -6.305 1.00 0.00 C ATOM 1620 CD1 TYR A 100 -14.083 -14.136 -6.251 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -12.063 -13.732 -7.451 1.00 0.00 C ATOM 1622 CE1 TYR A 100 -14.562 -14.890 -7.308 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -12.535 -14.482 -8.510 1.00 0.00 C ATOM 1624 CZ TYR A 100 -13.784 -15.059 -8.433 1.00 0.00 C ATOM 1625 OH TYR A 100 -14.258 -15.808 -9.486 1.00 0.00 O ATOM 0 H TYR A 100 -11.053 -11.756 -3.202 1.00 0.00 H new ATOM 0 HA TYR A 100 -12.590 -14.179 -3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -13.103 -12.074 -4.783 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -11.506 -12.073 -5.503 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -14.695 -14.004 -5.371 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -11.083 -13.282 -7.514 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -15.540 -15.344 -7.252 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -11.929 -14.616 -9.394 1.00 0.00 H new ATOM 0 HH TYR A 100 -13.588 -15.828 -10.201 1.00 0.00 H new ATOM 1635 N LYS A 101 -10.850 -15.774 -4.252 1.00 0.00 N ATOM 1636 CA LYS A 101 -9.867 -16.766 -4.665 1.00 0.00 C ATOM 1637 C LYS A 101 -10.407 -17.614 -5.813 1.00 0.00 C ATOM 1638 O LYS A 101 -11.590 -17.960 -5.841 1.00 0.00 O ATOM 1639 CB LYS A 101 -9.479 -17.659 -3.484 1.00 0.00 C ATOM 1640 CG LYS A 101 -8.779 -16.911 -2.358 1.00 0.00 C ATOM 1641 CD LYS A 101 -8.509 -17.818 -1.165 1.00 0.00 C ATOM 1642 CE LYS A 101 -7.454 -18.867 -1.486 1.00 0.00 C ATOM 1643 NZ LYS A 101 -7.150 -19.727 -0.310 1.00 0.00 N ATOM 0 H LYS A 101 -11.679 -16.164 -3.803 1.00 0.00 H new ATOM 0 HA LYS A 101 -8.977 -16.241 -5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -10.376 -18.135 -3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -8.826 -18.455 -3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.838 -16.500 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.394 -16.068 -2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.179 -17.217 -0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.434 -18.311 -0.865 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.800 -19.489 -2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.541 -18.374 -1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -6.427 -20.428 -0.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.795 -19.137 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.015 -20.218 -0.006 1.00 0.00 H new ATOM 1657 N ASP A 102 -9.532 -17.949 -6.755 1.00 0.00 N ATOM 1658 CA ASP A 102 -9.916 -18.747 -7.916 1.00 0.00 C ATOM 1659 C ASP A 102 -9.958 -20.236 -7.578 1.00 0.00 C ATOM 1660 O ASP A 102 -8.945 -20.815 -7.187 1.00 0.00 O ATOM 1661 CB ASP A 102 -8.942 -18.506 -9.073 1.00 0.00 C ATOM 1662 CG ASP A 102 -9.419 -19.127 -10.373 1.00 0.00 C ATOM 1663 OD1 ASP A 102 -10.642 -19.338 -10.518 1.00 0.00 O ATOM 1664 OD2 ASP A 102 -8.569 -19.401 -11.245 1.00 0.00 O ATOM 0 H ASP A 102 -8.548 -17.680 -6.738 1.00 0.00 H new ATOM 0 HA ASP A 102 -10.917 -18.436 -8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -8.809 -17.433 -9.214 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.966 -18.917 -8.814 1.00 0.00 H new ATOM 1669 N ASP A 103 -11.139 -20.840 -7.744 1.00 0.00 N ATOM 1670 CA ASP A 103 -11.349 -22.269 -7.475 1.00 0.00 C ATOM 1671 C ASP A 103 -11.031 -22.629 -6.023 1.00 0.00 C ATOM 1672 O ASP A 103 -10.260 -23.550 -5.752 1.00 0.00 O ATOM 1673 CB ASP A 103 -10.506 -23.128 -8.426 1.00 0.00 C ATOM 1674 CG ASP A 103 -11.015 -24.555 -8.526 1.00 0.00 C ATOM 1675 OD1 ASP A 103 -12.194 -24.788 -8.181 1.00 0.00 O ATOM 1676 OD2 ASP A 103 -10.238 -25.432 -8.952 1.00 0.00 O ATOM 0 H ASP A 103 -11.976 -20.355 -8.068 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.405 -22.477 -7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.507 -22.675 -9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.472 -23.138 -8.081 1.00 0.00 H new ATOM 1681 N ASP A 104 -11.629 -21.895 -5.090 1.00 0.00 N ATOM 1682 CA ASP A 104 -11.413 -22.142 -3.663 1.00 0.00 C ATOM 1683 C ASP A 104 -12.515 -23.034 -3.086 1.00 0.00 C ATOM 1684 O ASP A 104 -12.661 -23.153 -1.870 1.00 0.00 O ATOM 1685 CB ASP A 104 -11.360 -20.820 -2.894 1.00 0.00 C ATOM 1686 CG ASP A 104 -10.642 -20.947 -1.565 1.00 0.00 C ATOM 1687 OD1 ASP A 104 -9.728 -21.792 -1.460 1.00 0.00 O ATOM 1688 OD2 ASP A 104 -10.991 -20.198 -0.629 1.00 0.00 O ATOM 0 H ASP A 104 -12.266 -21.125 -5.293 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.459 -22.657 -3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -10.858 -20.069 -3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -12.375 -20.463 -2.722 1.00 0.00 H new ATOM 1693 N ASP A 105 -13.295 -23.651 -3.965 1.00 0.00 N ATOM 1694 CA ASP A 105 -14.382 -24.525 -3.537 1.00 0.00 C ATOM 1695 C ASP A 105 -13.888 -25.960 -3.374 1.00 0.00 C ATOM 1696 O ASP A 105 -13.703 -26.671 -4.361 1.00 0.00 O ATOM 1697 CB ASP A 105 -15.534 -24.484 -4.547 1.00 0.00 C ATOM 1698 CG ASP A 105 -16.749 -25.264 -4.079 1.00 0.00 C ATOM 1699 OD1 ASP A 105 -16.881 -25.486 -2.856 1.00 0.00 O ATOM 1700 OD2 ASP A 105 -17.571 -25.647 -4.936 1.00 0.00 O ATOM 0 H ASP A 105 -13.196 -23.563 -4.976 1.00 0.00 H new ATOM 0 HA ASP A 105 -14.743 -24.167 -2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -15.819 -23.447 -4.725 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -15.192 -24.889 -5.499 1.00 0.00 H new ATOM 1705 N LYS A 106 -13.683 -26.369 -2.120 1.00 0.00 N ATOM 1706 CA LYS A 106 -13.212 -27.720 -1.798 1.00 0.00 C ATOM 1707 C LYS A 106 -11.884 -28.030 -2.493 1.00 0.00 C ATOM 1708 O LYS A 106 -10.980 -27.167 -2.452 1.00 0.00 O ATOM 1709 CB LYS A 106 -14.268 -28.765 -2.176 1.00 0.00 C ATOM 1710 CG LYS A 106 -15.530 -28.695 -1.330 1.00 0.00 C ATOM 1711 CD LYS A 106 -16.542 -29.751 -1.747 1.00 0.00 C ATOM 1712 CE LYS A 106 -17.800 -29.681 -0.897 1.00 0.00 C ATOM 1713 NZ LYS A 106 -18.802 -30.707 -1.302 1.00 0.00 N ATOM 1714 OXT LYS A 106 -11.757 -29.135 -3.062 1.00 0.00 O ATOM 0 H LYS A 106 -13.837 -25.778 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.045 -27.763 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.537 -28.634 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.832 -29.760 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -15.273 -28.831 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -15.977 -27.705 -1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -16.802 -29.613 -2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -16.095 -30.741 -1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -17.538 -29.823 0.151 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -18.242 -28.688 -0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -19.645 -30.626 -0.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -19.071 -30.556 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -18.390 -31.656 -1.196 1.00 0.00 H new TER 1728 LYS A 106