USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1000 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 56 SER OG : rot 180:sc= -1.17 USER MOD Set 1.2: A 60 MET CE :methyl -153:sc= 0 (180deg=-0.248) USER MOD Single : A 4 LYS NZ :NH3+ 141:sc= -2.96 (180deg=-5.45!) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.0262 (180deg=-0.823) USER MOD Single : A 15 SER OG : rot -2:sc= 0.779 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.044 USER MOD Single : A 17 MET CE :methyl -161:sc= 0 (180deg=-0.286) USER MOD Single : A 23 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 31 ASN : amide:sc= -2.36! C(o=-2.4!,f=-8.1!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -2.81! C(o=-2.8!,f=-7.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.0081) USER MOD Single : A 51 TYR OH : rot 30:sc= -1.54 USER MOD Single : A 59 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.7!) USER MOD Single : A 62 ASN : amide:sc= -1.62! C(o=-1.6!,f=-9.2!) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 167:sc= -0.461 (180deg=-0.902) USER MOD Single : A 71 THR OG1 : rot 125:sc= -1.27 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0089 USER MOD Single : A 85 MET CE :methyl -148:sc= -0.0663 (180deg=-1.4) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.0984 K(o=-0.098,f=-0.63) USER MOD Single : A 100 GLN : amide:sc= -0.494 X(o=-0.49,f=-0.14) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -2.31 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot -104:sc= 1.11 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.0698 K(o=-0.07,f=-1) USER MOD Single : A 122 LYS NZ :NH3+ -161:sc= -0.032 (180deg=-0.348) USER MOD Single : A 126 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0266) USER MOD Single : A 129 MET CE :methyl -152:sc= -0.289 (180deg=-1.39!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.808 0.041 7.925 1.00 0.00 N ATOM 2 CA ALA A 2 -12.956 1.095 8.543 1.00 0.00 C ATOM 3 C ALA A 2 -13.417 2.475 8.054 1.00 0.00 C ATOM 4 O ALA A 2 -14.404 2.596 7.357 1.00 0.00 O ATOM 5 CB ALA A 2 -11.494 0.860 8.151 1.00 0.00 C ATOM 0 HA ALA A 2 -13.046 1.053 9.628 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.868 1.630 8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.175 -0.120 8.505 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.397 0.903 7.066 1.00 0.00 H new ATOM 11 N ASP A 3 -12.717 3.515 8.426 1.00 0.00 N ATOM 12 CA ASP A 3 -13.119 4.888 7.993 1.00 0.00 C ATOM 13 C ASP A 3 -13.477 4.887 6.504 1.00 0.00 C ATOM 14 O ASP A 3 -12.976 4.096 5.735 1.00 0.00 O ATOM 15 CB ASP A 3 -11.962 5.860 8.235 1.00 0.00 C ATOM 16 CG ASP A 3 -12.505 7.158 8.838 1.00 0.00 C ATOM 17 OD1 ASP A 3 -13.507 7.644 8.342 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.908 7.641 9.787 1.00 0.00 O ATOM 0 H ASP A 3 -11.883 3.473 9.012 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.989 5.200 8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.231 5.412 8.908 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.447 6.069 7.298 1.00 0.00 H new ATOM 23 N LYS A 4 -14.349 5.767 6.092 1.00 0.00 N ATOM 24 CA LYS A 4 -14.740 5.815 4.653 1.00 0.00 C ATOM 25 C LYS A 4 -13.814 6.768 3.895 1.00 0.00 C ATOM 26 O LYS A 4 -14.151 7.252 2.833 1.00 0.00 O ATOM 27 CB LYS A 4 -16.181 6.311 4.533 1.00 0.00 C ATOM 28 CG LYS A 4 -17.152 5.170 4.859 1.00 0.00 C ATOM 29 CD LYS A 4 -18.592 5.612 4.584 1.00 0.00 C ATOM 30 CE LYS A 4 -19.277 4.583 3.685 1.00 0.00 C ATOM 31 NZ LYS A 4 -18.652 4.612 2.333 1.00 0.00 N ATOM 0 H LYS A 4 -14.808 6.455 6.689 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.658 4.815 4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.346 7.146 5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.365 6.681 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.911 4.294 4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.046 4.879 5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.138 5.713 5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.598 6.591 4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.186 3.587 4.119 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.342 4.801 3.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.574 3.642 1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.241 5.179 1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.704 5.035 2.398 1.00 0.00 H new ATOM 45 N GLU A 5 -12.659 7.051 4.427 1.00 0.00 N ATOM 46 CA GLU A 5 -11.737 7.983 3.718 1.00 0.00 C ATOM 47 C GLU A 5 -10.325 7.859 4.290 1.00 0.00 C ATOM 48 O GLU A 5 -9.666 8.845 4.551 1.00 0.00 O ATOM 49 CB GLU A 5 -12.230 9.419 3.903 1.00 0.00 C ATOM 50 CG GLU A 5 -12.149 9.796 5.383 1.00 0.00 C ATOM 51 CD GLU A 5 -13.316 10.715 5.744 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.446 10.257 5.685 1.00 0.00 O ATOM 53 OE2 GLU A 5 -13.062 11.861 6.075 1.00 0.00 O ATOM 0 H GLU A 5 -12.315 6.682 5.313 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.718 7.729 2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.624 10.103 3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.256 9.512 3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.177 8.897 5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.202 10.295 5.590 1.00 0.00 H new ATOM 60 N LEU A 6 -9.847 6.660 4.483 1.00 0.00 N ATOM 61 CA LEU A 6 -8.481 6.496 5.031 1.00 0.00 C ATOM 62 C LEU A 6 -7.477 6.893 3.943 1.00 0.00 C ATOM 63 O LEU A 6 -7.484 6.356 2.866 1.00 0.00 O ATOM 64 CB LEU A 6 -8.295 5.030 5.457 1.00 0.00 C ATOM 65 CG LEU A 6 -6.908 4.794 6.065 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.614 5.814 7.158 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.867 3.413 6.694 1.00 0.00 C ATOM 0 H LEU A 6 -10.345 5.793 4.284 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.322 7.130 5.903 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.062 4.761 6.183 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.431 4.379 4.593 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.168 4.887 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.624 5.626 7.574 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.646 6.819 6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.362 5.728 7.947 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.882 3.240 7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.625 3.346 7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.065 2.660 5.931 1.00 0.00 H new ATOM 79 N LYS A 7 -6.645 7.863 4.203 1.00 0.00 N ATOM 80 CA LYS A 7 -5.674 8.332 3.160 1.00 0.00 C ATOM 81 C LYS A 7 -4.832 7.179 2.591 1.00 0.00 C ATOM 82 O LYS A 7 -4.046 6.561 3.293 1.00 0.00 O ATOM 83 CB LYS A 7 -4.741 9.375 3.777 1.00 0.00 C ATOM 84 CG LYS A 7 -5.122 10.768 3.268 1.00 0.00 C ATOM 85 CD LYS A 7 -4.189 11.811 3.884 1.00 0.00 C ATOM 86 CE LYS A 7 -4.240 13.093 3.053 1.00 0.00 C ATOM 87 NZ LYS A 7 -5.642 13.344 2.611 1.00 0.00 N ATOM 0 H LYS A 7 -6.591 8.356 5.094 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.249 8.761 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.810 9.342 4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.706 9.152 3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.053 10.801 2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.157 10.991 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.486 12.019 4.912 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.169 11.427 3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.877 13.935 3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.585 13.004 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.750 14.345 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.858 12.748 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.297 13.114 3.386 1.00 0.00 H new ATOM 101 N PHE A 8 -4.967 6.918 1.304 1.00 0.00 N ATOM 102 CA PHE A 8 -4.164 5.848 0.650 1.00 0.00 C ATOM 103 C PHE A 8 -3.187 6.492 -0.327 1.00 0.00 C ATOM 104 O PHE A 8 -3.494 7.493 -0.939 1.00 0.00 O ATOM 105 CB PHE A 8 -5.065 4.924 -0.184 1.00 0.00 C ATOM 106 CG PHE A 8 -5.871 4.009 0.697 1.00 0.00 C ATOM 107 CD1 PHE A 8 -7.116 4.425 1.157 1.00 0.00 C ATOM 108 CD2 PHE A 8 -5.374 2.753 1.054 1.00 0.00 C ATOM 109 CE1 PHE A 8 -7.871 3.592 1.987 1.00 0.00 C ATOM 110 CE2 PHE A 8 -6.124 1.917 1.890 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.373 2.340 2.362 1.00 0.00 C ATOM 0 H PHE A 8 -5.608 7.411 0.682 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.656 5.282 1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.735 5.524 -0.799 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.453 4.332 -0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -7.500 5.393 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -4.412 2.427 0.686 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.840 3.915 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.740 0.947 2.171 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.950 1.701 3.014 1.00 0.00 H new ATOM 121 N LEU A 9 -2.035 5.907 -0.507 1.00 0.00 N ATOM 122 CA LEU A 9 -1.059 6.468 -1.488 1.00 0.00 C ATOM 123 C LEU A 9 -0.735 5.404 -2.538 1.00 0.00 C ATOM 124 O LEU A 9 -0.043 4.445 -2.262 1.00 0.00 O ATOM 125 CB LEU A 9 0.225 6.880 -0.773 1.00 0.00 C ATOM 126 CG LEU A 9 1.251 7.392 -1.790 1.00 0.00 C ATOM 127 CD1 LEU A 9 0.683 8.598 -2.535 1.00 0.00 C ATOM 128 CD2 LEU A 9 2.506 7.810 -1.045 1.00 0.00 C ATOM 0 H LEU A 9 -1.726 5.066 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.496 7.344 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.009 7.657 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.635 6.031 -0.227 1.00 0.00 H new ATOM 0 HG LEU A 9 1.482 6.605 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.416 8.958 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.228 8.307 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.455 9.391 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.246 8.177 -1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.262 8.600 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.913 6.953 -0.508 1.00 0.00 H new ATOM 140 N VAL A 10 -1.212 5.570 -3.745 1.00 0.00 N ATOM 141 CA VAL A 10 -0.905 4.570 -4.802 1.00 0.00 C ATOM 142 C VAL A 10 0.343 5.029 -5.567 1.00 0.00 C ATOM 143 O VAL A 10 0.297 5.947 -6.361 1.00 0.00 O ATOM 144 CB VAL A 10 -2.099 4.442 -5.754 1.00 0.00 C ATOM 145 CG1 VAL A 10 -3.142 3.506 -5.138 1.00 0.00 C ATOM 146 CG2 VAL A 10 -2.736 5.813 -5.985 1.00 0.00 C ATOM 0 H VAL A 10 -1.797 6.352 -4.040 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.716 3.595 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.751 4.040 -6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.992 3.414 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.699 2.523 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.479 3.914 -4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.583 5.711 -6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.079 6.220 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.000 6.487 -6.423 1.00 0.00 H new ATOM 156 N VAL A 11 1.465 4.410 -5.313 1.00 0.00 N ATOM 157 CA VAL A 11 2.719 4.819 -5.995 1.00 0.00 C ATOM 158 C VAL A 11 2.887 4.032 -7.299 1.00 0.00 C ATOM 159 O VAL A 11 3.978 3.640 -7.660 1.00 0.00 O ATOM 160 CB VAL A 11 3.908 4.522 -5.075 1.00 0.00 C ATOM 161 CG1 VAL A 11 5.206 5.046 -5.693 1.00 0.00 C ATOM 162 CG2 VAL A 11 3.689 5.187 -3.712 1.00 0.00 C ATOM 0 H VAL A 11 1.563 3.634 -4.658 1.00 0.00 H new ATOM 0 HA VAL A 11 2.675 5.884 -6.221 1.00 0.00 H new ATOM 0 HB VAL A 11 3.986 3.442 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.041 4.827 -5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.373 4.561 -6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.131 6.124 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.537 4.973 -3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.596 6.265 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.777 4.797 -3.259 1.00 0.00 H new ATOM 172 N ASP A 12 1.818 3.800 -8.010 1.00 0.00 N ATOM 173 CA ASP A 12 1.929 3.042 -9.290 1.00 0.00 C ATOM 174 C ASP A 12 2.153 4.020 -10.445 1.00 0.00 C ATOM 175 O ASP A 12 1.663 5.132 -10.431 1.00 0.00 O ATOM 176 CB ASP A 12 0.640 2.254 -9.533 1.00 0.00 C ATOM 177 CG ASP A 12 -0.441 2.731 -8.562 1.00 0.00 C ATOM 178 OD1 ASP A 12 -0.489 2.212 -7.459 1.00 0.00 O ATOM 179 OD2 ASP A 12 -1.203 3.607 -8.938 1.00 0.00 O ATOM 0 H ASP A 12 0.875 4.101 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 12 2.770 2.351 -9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.306 2.391 -10.561 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.822 1.188 -9.396 1.00 0.00 H new ATOM 184 N ASP A 13 2.892 3.612 -11.442 1.00 0.00 N ATOM 185 CA ASP A 13 3.153 4.513 -12.602 1.00 0.00 C ATOM 186 C ASP A 13 2.203 4.160 -13.748 1.00 0.00 C ATOM 187 O ASP A 13 2.053 4.906 -14.696 1.00 0.00 O ATOM 188 CB ASP A 13 4.600 4.332 -13.069 1.00 0.00 C ATOM 189 CG ASP A 13 5.004 5.513 -13.953 1.00 0.00 C ATOM 190 OD1 ASP A 13 4.961 6.633 -13.470 1.00 0.00 O ATOM 191 OD2 ASP A 13 5.349 5.279 -15.100 1.00 0.00 O ATOM 0 H ASP A 13 3.327 2.691 -11.503 1.00 0.00 H new ATOM 0 HA ASP A 13 2.991 5.548 -12.302 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.265 4.265 -12.208 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.700 3.399 -13.623 1.00 0.00 H new ATOM 196 N PHE A 14 1.559 3.027 -13.671 1.00 0.00 N ATOM 197 CA PHE A 14 0.620 2.626 -14.756 1.00 0.00 C ATOM 198 C PHE A 14 -0.505 3.658 -14.866 1.00 0.00 C ATOM 199 O PHE A 14 -1.034 4.122 -13.875 1.00 0.00 O ATOM 200 CB PHE A 14 0.024 1.255 -14.433 1.00 0.00 C ATOM 201 CG PHE A 14 0.406 0.271 -15.514 1.00 0.00 C ATOM 202 CD1 PHE A 14 1.757 0.035 -15.798 1.00 0.00 C ATOM 203 CD2 PHE A 14 -0.589 -0.407 -16.232 1.00 0.00 C ATOM 204 CE1 PHE A 14 2.113 -0.877 -16.800 1.00 0.00 C ATOM 205 CE2 PHE A 14 -0.231 -1.319 -17.232 1.00 0.00 C ATOM 206 CZ PHE A 14 1.120 -1.554 -17.516 1.00 0.00 C ATOM 0 H PHE A 14 1.643 2.362 -12.903 1.00 0.00 H new ATOM 0 HA PHE A 14 1.159 2.575 -15.702 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.387 0.908 -13.466 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.061 1.327 -14.359 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.524 0.556 -15.245 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.631 -0.226 -16.014 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.155 -1.058 -17.020 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.997 -1.842 -17.785 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.395 -2.258 -18.288 1.00 0.00 H new ATOM 216 N SER A 15 -0.875 4.021 -16.063 1.00 0.00 N ATOM 217 CA SER A 15 -1.966 5.022 -16.234 1.00 0.00 C ATOM 218 C SER A 15 -3.315 4.300 -16.266 1.00 0.00 C ATOM 219 O SER A 15 -4.309 4.846 -16.702 1.00 0.00 O ATOM 220 CB SER A 15 -1.763 5.782 -17.545 1.00 0.00 C ATOM 221 OG SER A 15 -2.980 6.414 -17.916 1.00 0.00 O ATOM 0 H SER A 15 -0.469 3.668 -16.930 1.00 0.00 H new ATOM 0 HA SER A 15 -1.948 5.726 -15.402 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.975 6.526 -17.429 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.442 5.097 -18.330 1.00 0.00 H new ATOM 0 HG SER A 15 -3.677 6.190 -17.265 1.00 0.00 H new ATOM 227 N THR A 16 -3.353 3.076 -15.807 1.00 0.00 N ATOM 228 CA THR A 16 -4.632 2.308 -15.806 1.00 0.00 C ATOM 229 C THR A 16 -4.758 1.536 -14.492 1.00 0.00 C ATOM 230 O THR A 16 -5.820 1.457 -13.906 1.00 0.00 O ATOM 231 CB THR A 16 -4.643 1.320 -16.976 1.00 0.00 C ATOM 232 OG1 THR A 16 -4.535 -0.005 -16.472 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.466 1.606 -17.911 1.00 0.00 C ATOM 0 H THR A 16 -2.549 2.574 -15.431 1.00 0.00 H new ATOM 0 HA THR A 16 -5.468 3.000 -15.909 1.00 0.00 H new ATOM 0 HB THR A 16 -5.575 1.429 -17.531 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.543 -0.640 -17.218 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.480 0.899 -18.741 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.547 2.622 -18.298 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.531 1.501 -17.361 1.00 0.00 H new ATOM 241 N MET A 17 -3.683 0.962 -14.024 1.00 0.00 N ATOM 242 CA MET A 17 -3.741 0.193 -12.749 1.00 0.00 C ATOM 243 C MET A 17 -4.412 1.042 -11.669 1.00 0.00 C ATOM 244 O MET A 17 -5.121 0.538 -10.822 1.00 0.00 O ATOM 245 CB MET A 17 -2.322 -0.165 -12.303 1.00 0.00 C ATOM 246 CG MET A 17 -2.378 -0.867 -10.945 1.00 0.00 C ATOM 247 SD MET A 17 -1.076 -2.120 -10.862 1.00 0.00 S ATOM 248 CE MET A 17 -1.757 -3.065 -9.476 1.00 0.00 C ATOM 0 H MET A 17 -2.766 0.993 -14.470 1.00 0.00 H new ATOM 0 HA MET A 17 -4.316 -0.720 -12.904 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.850 -0.814 -13.041 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.712 0.736 -12.234 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.251 -0.141 -10.142 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.354 -1.331 -10.803 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.972 -3.677 -9.032 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.150 -2.379 -8.726 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.560 -3.709 -9.834 1.00 0.00 H new ATOM 258 N ARG A 18 -4.194 2.328 -11.691 1.00 0.00 N ATOM 259 CA ARG A 18 -4.821 3.205 -10.663 1.00 0.00 C ATOM 260 C ARG A 18 -6.328 3.158 -10.791 1.00 0.00 C ATOM 261 O ARG A 18 -7.046 3.032 -9.821 1.00 0.00 O ATOM 262 CB ARG A 18 -4.388 4.651 -10.872 1.00 0.00 C ATOM 263 CG ARG A 18 -4.772 5.116 -12.280 1.00 0.00 C ATOM 264 CD ARG A 18 -3.846 6.257 -12.710 1.00 0.00 C ATOM 265 NE ARG A 18 -3.786 7.283 -11.632 1.00 0.00 N ATOM 266 CZ ARG A 18 -2.812 7.261 -10.765 1.00 0.00 C ATOM 267 NH1 ARG A 18 -1.590 7.520 -11.145 1.00 0.00 N ATOM 268 NH2 ARG A 18 -3.061 6.979 -9.515 1.00 0.00 N ATOM 0 H ARG A 18 -3.610 2.809 -12.375 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.508 2.851 -9.681 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.860 5.292 -10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.311 4.740 -10.732 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.695 4.286 -12.982 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.809 5.450 -12.294 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.847 5.871 -12.915 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.210 6.706 -13.634 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.506 8.003 -11.572 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.395 7.740 -12.122 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.830 7.502 -10.465 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.016 6.776 -9.218 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.301 6.961 -8.835 1.00 0.00 H new ATOM 282 N ARG A 19 -6.814 3.306 -11.983 1.00 0.00 N ATOM 283 CA ARG A 19 -8.274 3.325 -12.169 1.00 0.00 C ATOM 284 C ARG A 19 -8.902 2.075 -11.542 1.00 0.00 C ATOM 285 O ARG A 19 -10.016 2.105 -11.058 1.00 0.00 O ATOM 286 CB ARG A 19 -8.606 3.377 -13.663 1.00 0.00 C ATOM 287 CG ARG A 19 -9.735 4.381 -13.904 1.00 0.00 C ATOM 288 CD ARG A 19 -10.063 4.429 -15.398 1.00 0.00 C ATOM 289 NE ARG A 19 -11.499 4.090 -15.602 1.00 0.00 N ATOM 290 CZ ARG A 19 -11.978 3.976 -16.811 1.00 0.00 C ATOM 291 NH1 ARG A 19 -11.501 3.068 -17.619 1.00 0.00 N ATOM 292 NH2 ARG A 19 -12.932 4.770 -17.212 1.00 0.00 N ATOM 0 H ARG A 19 -6.261 3.414 -12.833 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.681 4.209 -11.679 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.722 3.665 -14.232 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.903 2.389 -14.014 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.619 4.094 -13.335 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.438 5.370 -13.554 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.853 5.422 -15.796 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.432 3.727 -15.943 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.108 3.947 -14.797 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.754 2.448 -17.305 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.875 2.979 -18.564 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.304 5.480 -16.581 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.306 4.681 -18.157 1.00 0.00 H new ATOM 306 N ILE A 20 -8.201 0.975 -11.557 1.00 0.00 N ATOM 307 CA ILE A 20 -8.759 -0.279 -10.973 1.00 0.00 C ATOM 308 C ILE A 20 -8.965 -0.108 -9.465 1.00 0.00 C ATOM 309 O ILE A 20 -10.036 -0.349 -8.946 1.00 0.00 O ATOM 310 CB ILE A 20 -7.787 -1.440 -11.240 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.174 -2.136 -12.548 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.841 -2.460 -10.097 1.00 0.00 C ATOM 313 CD1 ILE A 20 -8.246 -1.108 -13.677 1.00 0.00 C ATOM 0 H ILE A 20 -7.263 0.890 -11.949 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.721 -0.497 -11.436 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.776 -1.039 -11.312 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.443 -2.907 -12.791 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.137 -2.634 -12.435 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.147 -3.275 -10.303 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.563 -1.974 -9.162 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.852 -2.858 -10.012 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.522 -1.607 -14.606 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.994 -0.353 -13.435 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.274 -0.630 -13.796 1.00 0.00 H new ATOM 325 N VAL A 21 -7.944 0.282 -8.751 1.00 0.00 N ATOM 326 CA VAL A 21 -8.092 0.435 -7.275 1.00 0.00 C ATOM 327 C VAL A 21 -9.033 1.599 -6.943 1.00 0.00 C ATOM 328 O VAL A 21 -9.731 1.575 -5.950 1.00 0.00 O ATOM 329 CB VAL A 21 -6.726 0.678 -6.631 1.00 0.00 C ATOM 330 CG1 VAL A 21 -6.403 -0.479 -5.685 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.652 0.756 -7.715 1.00 0.00 C ATOM 0 H VAL A 21 -7.019 0.500 -9.123 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.519 -0.486 -6.877 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.749 1.616 -6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.430 -0.311 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.167 -0.539 -4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.381 -1.413 -6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.680 0.929 -7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.627 -0.181 -8.271 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.881 1.576 -8.396 1.00 0.00 H new ATOM 341 N ARG A 22 -9.064 2.617 -7.760 1.00 0.00 N ATOM 342 CA ARG A 22 -9.969 3.771 -7.473 1.00 0.00 C ATOM 343 C ARG A 22 -11.368 3.250 -7.145 1.00 0.00 C ATOM 344 O ARG A 22 -11.944 3.569 -6.124 1.00 0.00 O ATOM 345 CB ARG A 22 -10.062 4.667 -8.712 1.00 0.00 C ATOM 346 CG ARG A 22 -9.362 6.010 -8.464 1.00 0.00 C ATOM 347 CD ARG A 22 -7.848 5.802 -8.383 1.00 0.00 C ATOM 348 NE ARG A 22 -7.172 7.129 -8.321 1.00 0.00 N ATOM 349 CZ ARG A 22 -7.268 7.959 -9.323 1.00 0.00 C ATOM 350 NH1 ARG A 22 -7.450 7.504 -10.534 1.00 0.00 N ATOM 351 NH2 ARG A 22 -7.186 9.245 -9.117 1.00 0.00 N ATOM 0 H ARG A 22 -8.506 2.701 -8.610 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.572 4.337 -6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.605 4.165 -9.565 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.108 4.838 -8.966 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.599 6.707 -9.267 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.727 6.454 -7.538 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.597 5.211 -7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.499 5.243 -9.251 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.634 7.388 -7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.517 6.499 -10.697 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.525 8.153 -11.317 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.047 9.602 -8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.261 9.893 -9.901 1.00 0.00 H new ATOM 365 N ASN A 23 -11.916 2.456 -8.019 1.00 0.00 N ATOM 366 CA ASN A 23 -13.271 1.904 -7.807 1.00 0.00 C ATOM 367 C ASN A 23 -13.244 0.889 -6.675 1.00 0.00 C ATOM 368 O ASN A 23 -13.931 1.020 -5.683 1.00 0.00 O ATOM 369 CB ASN A 23 -13.665 1.190 -9.087 1.00 0.00 C ATOM 370 CG ASN A 23 -15.096 1.559 -9.480 1.00 0.00 C ATOM 371 OD1 ASN A 23 -16.000 0.758 -9.351 1.00 0.00 O ATOM 372 ND2 ASN A 23 -15.343 2.748 -9.958 1.00 0.00 N ATOM 0 H ASN A 23 -11.469 2.163 -8.888 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.973 2.699 -7.555 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.979 1.461 -9.889 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.585 0.112 -8.950 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -16.294 3.004 -10.223 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.585 3.422 -10.067 1.00 0.00 H new ATOM 379 N LEU A 24 -12.456 -0.130 -6.845 1.00 0.00 N ATOM 380 CA LEU A 24 -12.348 -1.204 -5.820 1.00 0.00 C ATOM 381 C LEU A 24 -12.351 -0.592 -4.416 1.00 0.00 C ATOM 382 O LEU A 24 -13.132 -0.973 -3.566 1.00 0.00 O ATOM 383 CB LEU A 24 -11.031 -1.944 -6.061 1.00 0.00 C ATOM 384 CG LEU A 24 -11.020 -3.326 -5.366 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.789 -4.426 -6.408 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.901 -3.409 -4.314 1.00 0.00 C ATOM 0 H LEU A 24 -11.869 -0.268 -7.668 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.193 -1.889 -5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.876 -2.073 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.201 -1.342 -5.689 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.983 -3.461 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.782 -5.398 -5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.589 -4.400 -7.148 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.832 -4.263 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.918 -4.391 -3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.936 -3.254 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.056 -2.640 -3.557 1.00 0.00 H new ATOM 398 N LEU A 25 -11.491 0.357 -4.164 1.00 0.00 N ATOM 399 CA LEU A 25 -11.460 0.989 -2.813 1.00 0.00 C ATOM 400 C LEU A 25 -12.800 1.680 -2.556 1.00 0.00 C ATOM 401 O LEU A 25 -13.423 1.483 -1.531 1.00 0.00 O ATOM 402 CB LEU A 25 -10.330 2.027 -2.754 1.00 0.00 C ATOM 403 CG LEU A 25 -8.991 1.341 -2.455 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.866 2.368 -2.580 1.00 0.00 C ATOM 405 CD2 LEU A 25 -8.986 0.768 -1.029 1.00 0.00 C ATOM 0 H LEU A 25 -10.811 0.721 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.285 0.225 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.269 2.562 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.547 2.767 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.845 0.527 -3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.910 1.888 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.853 2.772 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.031 3.177 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.028 0.285 -0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.138 1.575 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.788 0.037 -0.928 1.00 0.00 H new ATOM 417 N LYS A 26 -13.251 2.485 -3.477 1.00 0.00 N ATOM 418 CA LYS A 26 -14.547 3.179 -3.282 1.00 0.00 C ATOM 419 C LYS A 26 -15.641 2.147 -3.006 1.00 0.00 C ATOM 420 O LYS A 26 -16.599 2.414 -2.307 1.00 0.00 O ATOM 421 CB LYS A 26 -14.900 3.970 -4.544 1.00 0.00 C ATOM 422 CG LYS A 26 -15.779 5.165 -4.170 1.00 0.00 C ATOM 423 CD LYS A 26 -16.698 5.517 -5.343 1.00 0.00 C ATOM 424 CE LYS A 26 -17.575 6.712 -4.963 1.00 0.00 C ATOM 425 NZ LYS A 26 -18.417 7.104 -6.130 1.00 0.00 N ATOM 0 H LYS A 26 -12.775 2.690 -4.356 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.468 3.862 -2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -13.990 4.314 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.423 3.329 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -16.374 4.929 -3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.155 6.022 -3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.104 5.754 -6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.322 4.661 -5.599 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -18.209 6.456 -4.114 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -16.951 7.550 -4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -19.013 7.916 -5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.804 7.365 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -19.022 6.304 -6.405 1.00 0.00 H new ATOM 439 N GLU A 27 -15.510 0.967 -3.553 1.00 0.00 N ATOM 440 CA GLU A 27 -16.541 -0.077 -3.327 1.00 0.00 C ATOM 441 C GLU A 27 -16.685 -0.339 -1.827 1.00 0.00 C ATOM 442 O GLU A 27 -17.731 -0.740 -1.356 1.00 0.00 O ATOM 443 CB GLU A 27 -16.123 -1.369 -4.034 1.00 0.00 C ATOM 444 CG GLU A 27 -17.250 -1.834 -4.960 1.00 0.00 C ATOM 445 CD GLU A 27 -16.825 -3.120 -5.673 1.00 0.00 C ATOM 446 OE1 GLU A 27 -15.676 -3.200 -6.075 1.00 0.00 O ATOM 447 OE2 GLU A 27 -17.657 -4.002 -5.807 1.00 0.00 O ATOM 0 H GLU A 27 -14.730 0.685 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.496 0.264 -3.728 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.212 -1.203 -4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.900 -2.142 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.160 -2.008 -4.385 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.478 -1.058 -5.691 1.00 0.00 H new ATOM 454 N LEU A 28 -15.641 -0.124 -1.072 1.00 0.00 N ATOM 455 CA LEU A 28 -15.724 -0.370 0.394 1.00 0.00 C ATOM 456 C LEU A 28 -16.240 0.884 1.104 1.00 0.00 C ATOM 457 O LEU A 28 -16.998 0.801 2.050 1.00 0.00 O ATOM 458 CB LEU A 28 -14.336 -0.730 0.930 1.00 0.00 C ATOM 459 CG LEU A 28 -13.893 -2.069 0.337 1.00 0.00 C ATOM 460 CD1 LEU A 28 -12.367 -2.111 0.257 1.00 0.00 C ATOM 461 CD2 LEU A 28 -14.388 -3.213 1.226 1.00 0.00 C ATOM 0 H LEU A 28 -14.738 0.210 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.412 -1.194 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.620 0.050 0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.359 -0.792 2.018 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.314 -2.179 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.051 -3.065 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.013 -1.298 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.947 -2.000 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.072 -4.166 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.969 -3.104 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.476 -3.185 1.283 1.00 0.00 H new ATOM 473 N GLY A 29 -15.837 2.043 0.652 1.00 0.00 N ATOM 474 CA GLY A 29 -16.297 3.301 1.291 1.00 0.00 C ATOM 475 C GLY A 29 -15.138 4.299 1.389 1.00 0.00 C ATOM 476 O GLY A 29 -15.256 5.334 2.004 1.00 0.00 O ATOM 0 H GLY A 29 -15.204 2.168 -0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.112 3.735 0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.690 3.090 2.286 1.00 0.00 H new ATOM 480 N PHE A 30 -14.017 4.003 0.796 1.00 0.00 N ATOM 481 CA PHE A 30 -12.865 4.946 0.878 1.00 0.00 C ATOM 482 C PHE A 30 -12.924 5.939 -0.289 1.00 0.00 C ATOM 483 O PHE A 30 -13.248 5.579 -1.403 1.00 0.00 O ATOM 484 CB PHE A 30 -11.564 4.152 0.781 1.00 0.00 C ATOM 485 CG PHE A 30 -11.442 3.194 1.942 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.219 3.681 3.230 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.535 1.816 1.723 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.088 2.791 4.305 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.405 0.924 2.794 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.180 1.412 4.085 1.00 0.00 C ATOM 0 H PHE A 30 -13.847 3.152 0.259 1.00 0.00 H new ATOM 0 HA PHE A 30 -12.909 5.488 1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.537 3.600 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -10.714 4.834 0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.147 4.745 3.399 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.707 1.439 0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.916 3.169 5.302 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.478 -0.140 2.623 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.077 0.725 4.912 1.00 0.00 H new ATOM 500 N ASN A 31 -12.621 7.190 -0.045 1.00 0.00 N ATOM 501 CA ASN A 31 -12.672 8.193 -1.135 1.00 0.00 C ATOM 502 C ASN A 31 -11.609 9.283 -0.908 1.00 0.00 C ATOM 503 O ASN A 31 -11.926 10.442 -0.731 1.00 0.00 O ATOM 504 CB ASN A 31 -14.060 8.823 -1.125 1.00 0.00 C ATOM 505 CG ASN A 31 -14.577 8.895 0.314 1.00 0.00 C ATOM 506 OD1 ASN A 31 -13.805 9.012 1.245 1.00 0.00 O ATOM 507 ND2 ASN A 31 -15.861 8.830 0.536 1.00 0.00 N ATOM 0 H ASN A 31 -12.341 7.553 0.866 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.472 7.714 -2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.021 9.822 -1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.742 8.235 -1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.217 8.877 1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.509 8.732 -0.245 1.00 0.00 H new ATOM 514 N ASN A 32 -10.346 8.930 -0.914 1.00 0.00 N ATOM 515 CA ASN A 32 -9.285 9.966 -0.702 1.00 0.00 C ATOM 516 C ASN A 32 -7.894 9.333 -0.837 1.00 0.00 C ATOM 517 O ASN A 32 -7.438 8.629 0.044 1.00 0.00 O ATOM 518 CB ASN A 32 -9.422 10.574 0.700 1.00 0.00 C ATOM 519 CG ASN A 32 -9.171 12.080 0.628 1.00 0.00 C ATOM 520 OD1 ASN A 32 -10.075 12.869 0.814 1.00 0.00 O ATOM 521 ND2 ASN A 32 -7.969 12.516 0.363 1.00 0.00 N ATOM 0 H ASN A 32 -10.006 7.979 -1.055 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.405 10.745 -1.455 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.418 10.379 1.097 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.710 10.108 1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.790 13.519 0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.209 11.854 0.207 1.00 0.00 H new ATOM 528 N VAL A 33 -7.210 9.582 -1.927 1.00 0.00 N ATOM 529 CA VAL A 33 -5.846 8.993 -2.101 1.00 0.00 C ATOM 530 C VAL A 33 -4.960 9.952 -2.899 1.00 0.00 C ATOM 531 O VAL A 33 -5.394 11.003 -3.328 1.00 0.00 O ATOM 532 CB VAL A 33 -5.943 7.650 -2.851 1.00 0.00 C ATOM 533 CG1 VAL A 33 -7.298 6.997 -2.584 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.785 7.867 -4.363 1.00 0.00 C ATOM 0 H VAL A 33 -7.535 10.164 -2.699 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.409 8.828 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.144 7.001 -2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -7.357 6.049 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.412 6.819 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.094 7.657 -2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.856 6.909 -4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.573 8.530 -4.720 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.813 8.317 -4.566 1.00 0.00 H new ATOM 544 N GLU A 34 -3.727 9.577 -3.121 1.00 0.00 N ATOM 545 CA GLU A 34 -2.807 10.436 -3.918 1.00 0.00 C ATOM 546 C GLU A 34 -2.023 9.539 -4.869 1.00 0.00 C ATOM 547 O GLU A 34 -2.336 8.378 -5.021 1.00 0.00 O ATOM 548 CB GLU A 34 -1.857 11.189 -2.991 1.00 0.00 C ATOM 549 CG GLU A 34 -2.364 12.623 -2.819 1.00 0.00 C ATOM 550 CD GLU A 34 -2.149 13.401 -4.119 1.00 0.00 C ATOM 551 OE1 GLU A 34 -1.787 12.779 -5.104 1.00 0.00 O ATOM 552 OE2 GLU A 34 -2.349 14.604 -4.108 1.00 0.00 O ATOM 0 H GLU A 34 -3.317 8.707 -2.781 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.376 11.172 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.801 10.691 -2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.849 11.193 -3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.422 12.617 -2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.836 13.111 -2.000 1.00 0.00 H new ATOM 559 N GLU A 35 -1.024 10.064 -5.525 1.00 0.00 N ATOM 560 CA GLU A 35 -0.250 9.224 -6.486 1.00 0.00 C ATOM 561 C GLU A 35 1.238 9.565 -6.426 1.00 0.00 C ATOM 562 O GLU A 35 1.628 10.684 -6.156 1.00 0.00 O ATOM 563 CB GLU A 35 -0.762 9.473 -7.909 1.00 0.00 C ATOM 564 CG GLU A 35 -2.294 9.460 -7.928 1.00 0.00 C ATOM 565 CD GLU A 35 -2.787 9.740 -9.347 1.00 0.00 C ATOM 566 OE1 GLU A 35 -1.967 10.090 -10.180 1.00 0.00 O ATOM 567 OE2 GLU A 35 -3.978 9.600 -9.578 1.00 0.00 O ATOM 0 H GLU A 35 -0.711 11.031 -5.439 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.384 8.177 -6.215 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.394 10.432 -8.273 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.376 8.707 -8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.665 8.493 -7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.683 10.211 -7.241 1.00 0.00 H new ATOM 574 N ALA A 36 2.068 8.595 -6.694 1.00 0.00 N ATOM 575 CA ALA A 36 3.539 8.826 -6.678 1.00 0.00 C ATOM 576 C ALA A 36 4.196 7.876 -7.684 1.00 0.00 C ATOM 577 O ALA A 36 3.524 7.192 -8.431 1.00 0.00 O ATOM 578 CB ALA A 36 4.086 8.555 -5.275 1.00 0.00 C ATOM 0 H ALA A 36 1.786 7.642 -6.926 1.00 0.00 H new ATOM 0 HA ALA A 36 3.757 9.859 -6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.163 8.725 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.607 9.226 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.879 7.522 -4.997 1.00 0.00 H new ATOM 584 N GLU A 37 5.500 7.824 -7.716 1.00 0.00 N ATOM 585 CA GLU A 37 6.180 6.913 -8.682 1.00 0.00 C ATOM 586 C GLU A 37 7.504 6.417 -8.092 1.00 0.00 C ATOM 587 O GLU A 37 8.287 5.772 -8.760 1.00 0.00 O ATOM 588 CB GLU A 37 6.459 7.668 -9.983 1.00 0.00 C ATOM 589 CG GLU A 37 7.704 8.541 -9.809 1.00 0.00 C ATOM 590 CD GLU A 37 7.685 9.668 -10.844 1.00 0.00 C ATOM 591 OE1 GLU A 37 7.058 9.489 -11.875 1.00 0.00 O ATOM 592 OE2 GLU A 37 8.301 10.690 -10.588 1.00 0.00 O ATOM 0 H GLU A 37 6.121 8.369 -7.119 1.00 0.00 H new ATOM 0 HA GLU A 37 5.533 6.059 -8.882 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.608 6.963 -10.801 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.602 8.287 -10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.731 8.958 -8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.604 7.938 -9.929 1.00 0.00 H new ATOM 599 N ASP A 38 7.765 6.718 -6.849 1.00 0.00 N ATOM 600 CA ASP A 38 9.039 6.273 -6.217 1.00 0.00 C ATOM 601 C ASP A 38 9.085 6.872 -4.812 1.00 0.00 C ATOM 602 O ASP A 38 8.190 7.582 -4.428 1.00 0.00 O ATOM 603 CB ASP A 38 10.232 6.755 -7.060 1.00 0.00 C ATOM 604 CG ASP A 38 11.195 7.567 -6.196 1.00 0.00 C ATOM 605 OD1 ASP A 38 10.917 8.731 -5.975 1.00 0.00 O ATOM 606 OD2 ASP A 38 12.193 7.008 -5.772 1.00 0.00 O ATOM 0 H ASP A 38 7.147 7.256 -6.241 1.00 0.00 H new ATOM 0 HA ASP A 38 9.092 5.186 -6.160 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.752 5.899 -7.491 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.877 7.364 -7.892 1.00 0.00 H new ATOM 611 N GLY A 39 10.089 6.595 -4.031 1.00 0.00 N ATOM 612 CA GLY A 39 10.118 7.177 -2.659 1.00 0.00 C ATOM 613 C GLY A 39 10.348 8.681 -2.734 1.00 0.00 C ATOM 614 O GLY A 39 9.744 9.441 -2.007 1.00 0.00 O ATOM 0 H GLY A 39 10.881 6.000 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.178 6.970 -2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.909 6.709 -2.073 1.00 0.00 H new ATOM 618 N VAL A 40 11.187 9.138 -3.608 1.00 0.00 N ATOM 619 CA VAL A 40 11.382 10.603 -3.688 1.00 0.00 C ATOM 620 C VAL A 40 10.011 11.242 -3.892 1.00 0.00 C ATOM 621 O VAL A 40 9.689 12.252 -3.300 1.00 0.00 O ATOM 622 CB VAL A 40 12.302 10.954 -4.860 1.00 0.00 C ATOM 623 CG1 VAL A 40 12.850 12.367 -4.663 1.00 0.00 C ATOM 624 CG2 VAL A 40 13.468 9.963 -4.911 1.00 0.00 C ATOM 0 H VAL A 40 11.736 8.576 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 40 11.846 10.973 -2.774 1.00 0.00 H new ATOM 0 HB VAL A 40 11.740 10.902 -5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 40 13.506 12.622 -5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.023 13.076 -4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 40 13.412 12.412 -3.730 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.122 10.214 -5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.032 10.016 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.081 8.953 -5.044 1.00 0.00 H new ATOM 634 N ASP A 41 9.190 10.640 -4.713 1.00 0.00 N ATOM 635 CA ASP A 41 7.834 11.194 -4.961 1.00 0.00 C ATOM 636 C ASP A 41 6.891 10.786 -3.829 1.00 0.00 C ATOM 637 O ASP A 41 6.105 11.577 -3.346 1.00 0.00 O ATOM 638 CB ASP A 41 7.312 10.624 -6.275 1.00 0.00 C ATOM 639 CG ASP A 41 6.271 11.572 -6.871 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.797 12.429 -6.146 1.00 0.00 O ATOM 641 OD2 ASP A 41 5.967 11.424 -8.043 1.00 0.00 O ATOM 0 H ASP A 41 9.406 9.784 -5.223 1.00 0.00 H new ATOM 0 HA ASP A 41 7.884 12.282 -5.010 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.136 10.486 -6.975 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.870 9.642 -6.106 1.00 0.00 H new ATOM 646 N ALA A 42 6.958 9.554 -3.410 1.00 0.00 N ATOM 647 CA ALA A 42 6.062 9.090 -2.318 1.00 0.00 C ATOM 648 C ALA A 42 6.543 9.664 -0.984 1.00 0.00 C ATOM 649 O ALA A 42 5.812 10.348 -0.299 1.00 0.00 O ATOM 650 CB ALA A 42 6.078 7.559 -2.264 1.00 0.00 C ATOM 0 H ALA A 42 7.596 8.848 -3.778 1.00 0.00 H new ATOM 0 HA ALA A 42 5.045 9.432 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.422 7.216 -1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.730 7.158 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.094 7.212 -2.074 1.00 0.00 H new ATOM 656 N LEU A 43 7.761 9.388 -0.604 1.00 0.00 N ATOM 657 CA LEU A 43 8.271 9.919 0.693 1.00 0.00 C ATOM 658 C LEU A 43 8.080 11.444 0.747 1.00 0.00 C ATOM 659 O LEU A 43 7.753 11.988 1.783 1.00 0.00 O ATOM 660 CB LEU A 43 9.752 9.515 0.879 1.00 0.00 C ATOM 661 CG LEU A 43 10.712 10.687 0.608 1.00 0.00 C ATOM 662 CD1 LEU A 43 10.706 11.678 1.783 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.130 10.135 0.442 1.00 0.00 C ATOM 0 H LEU A 43 8.423 8.820 -1.133 1.00 0.00 H new ATOM 0 HA LEU A 43 7.704 9.487 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.903 9.151 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.989 8.690 0.207 1.00 0.00 H new ATOM 0 HG LEU A 43 10.388 11.205 -0.295 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.391 12.498 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.699 12.073 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.023 11.167 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 43 12.820 10.957 0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.428 9.617 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.153 9.438 -0.395 1.00 0.00 H new ATOM 675 N ASN A 44 8.267 12.151 -0.344 1.00 0.00 N ATOM 676 CA ASN A 44 8.073 13.632 -0.290 1.00 0.00 C ATOM 677 C ASN A 44 6.581 13.940 -0.187 1.00 0.00 C ATOM 678 O ASN A 44 6.160 14.798 0.563 1.00 0.00 O ATOM 679 CB ASN A 44 8.625 14.286 -1.559 1.00 0.00 C ATOM 680 CG ASN A 44 10.151 14.173 -1.580 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.732 13.480 -0.770 1.00 0.00 O ATOM 682 ND2 ASN A 44 10.829 14.833 -2.479 1.00 0.00 N ATOM 0 H ASN A 44 8.540 11.774 -1.251 1.00 0.00 H new ATOM 0 HA ASN A 44 8.602 14.026 0.578 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.203 13.803 -2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.328 15.334 -1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.847 14.766 -2.501 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.341 15.415 -3.160 1.00 0.00 H new ATOM 689 N LYS A 45 5.782 13.249 -0.948 1.00 0.00 N ATOM 690 CA LYS A 45 4.314 13.499 -0.917 1.00 0.00 C ATOM 691 C LYS A 45 3.690 12.858 0.325 1.00 0.00 C ATOM 692 O LYS A 45 2.568 13.155 0.677 1.00 0.00 O ATOM 693 CB LYS A 45 3.671 12.902 -2.171 1.00 0.00 C ATOM 694 CG LYS A 45 4.065 13.733 -3.393 1.00 0.00 C ATOM 695 CD LYS A 45 2.953 14.737 -3.709 1.00 0.00 C ATOM 696 CE LYS A 45 3.462 15.756 -4.731 1.00 0.00 C ATOM 697 NZ LYS A 45 3.791 17.033 -4.037 1.00 0.00 N ATOM 0 H LYS A 45 6.083 12.518 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 45 4.140 14.575 -0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.994 11.869 -2.301 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.586 12.886 -2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.001 14.259 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.235 13.081 -4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.079 14.217 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.638 15.246 -2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.345 15.368 -5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.705 15.930 -5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.137 17.726 -4.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.938 17.405 -3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.528 16.860 -3.323 1.00 0.00 H new ATOM 711 N LEU A 46 4.391 11.985 0.998 1.00 0.00 N ATOM 712 CA LEU A 46 3.791 11.353 2.208 1.00 0.00 C ATOM 713 C LEU A 46 3.724 12.396 3.324 1.00 0.00 C ATOM 714 O LEU A 46 2.907 12.310 4.220 1.00 0.00 O ATOM 715 CB LEU A 46 4.652 10.159 2.674 1.00 0.00 C ATOM 716 CG LEU A 46 3.848 8.837 2.695 1.00 0.00 C ATOM 717 CD1 LEU A 46 4.279 7.952 1.532 1.00 0.00 C ATOM 718 CD2 LEU A 46 4.129 8.093 3.997 1.00 0.00 C ATOM 0 H LEU A 46 5.338 11.686 0.767 1.00 0.00 H new ATOM 0 HA LEU A 46 2.792 10.990 1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.510 10.051 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.043 10.361 3.671 1.00 0.00 H new ATOM 0 HG LEU A 46 2.786 9.068 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.710 7.023 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.094 8.471 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.342 7.728 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.563 7.161 4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.194 7.872 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.831 8.713 4.842 1.00 0.00 H new ATOM 730 N GLN A 47 4.575 13.383 3.273 1.00 0.00 N ATOM 731 CA GLN A 47 4.559 14.435 4.324 1.00 0.00 C ATOM 732 C GLN A 47 3.250 15.223 4.229 1.00 0.00 C ATOM 733 O GLN A 47 2.994 16.113 5.013 1.00 0.00 O ATOM 734 CB GLN A 47 5.742 15.383 4.114 1.00 0.00 C ATOM 735 CG GLN A 47 6.048 16.118 5.421 1.00 0.00 C ATOM 736 CD GLN A 47 7.094 15.333 6.216 1.00 0.00 C ATOM 737 OE1 GLN A 47 6.849 14.940 7.339 1.00 0.00 O ATOM 738 NE2 GLN A 47 8.256 15.085 5.677 1.00 0.00 N ATOM 0 H GLN A 47 5.281 13.505 2.547 1.00 0.00 H new ATOM 0 HA GLN A 47 4.636 13.972 5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.617 14.822 3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.511 16.101 3.327 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.416 17.122 5.208 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.137 16.230 6.009 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.462 15.415 4.734 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.959 14.561 6.199 1.00 0.00 H new ATOM 747 N ALA A 48 2.424 14.901 3.269 1.00 0.00 N ATOM 748 CA ALA A 48 1.135 15.628 3.117 1.00 0.00 C ATOM 749 C ALA A 48 0.459 15.759 4.483 1.00 0.00 C ATOM 750 O ALA A 48 0.316 16.844 5.011 1.00 0.00 O ATOM 751 CB ALA A 48 0.217 14.857 2.166 1.00 0.00 C ATOM 0 H ALA A 48 2.589 14.164 2.583 1.00 0.00 H new ATOM 0 HA ALA A 48 1.327 16.620 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.726 15.392 2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.697 14.765 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.025 13.863 2.571 1.00 0.00 H new ATOM 757 N GLY A 49 0.041 14.665 5.063 1.00 0.00 N ATOM 758 CA GLY A 49 -0.624 14.748 6.395 1.00 0.00 C ATOM 759 C GLY A 49 -0.450 13.428 7.148 1.00 0.00 C ATOM 760 O GLY A 49 -1.111 13.177 8.136 1.00 0.00 O ATOM 0 H GLY A 49 0.130 13.726 4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.196 15.566 6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.684 14.967 6.269 1.00 0.00 H new ATOM 764 N GLY A 50 0.426 12.576 6.689 1.00 0.00 N ATOM 765 CA GLY A 50 0.621 11.274 7.382 1.00 0.00 C ATOM 766 C GLY A 50 -0.340 10.257 6.777 1.00 0.00 C ATOM 767 O GLY A 50 -1.455 10.094 7.231 1.00 0.00 O ATOM 0 H GLY A 50 1.012 12.726 5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.651 10.936 7.270 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.435 11.382 8.451 1.00 0.00 H new ATOM 771 N TYR A 51 0.073 9.591 5.739 1.00 0.00 N ATOM 772 CA TYR A 51 -0.823 8.607 5.085 1.00 0.00 C ATOM 773 C TYR A 51 -1.136 7.463 6.030 1.00 0.00 C ATOM 774 O TYR A 51 -0.258 6.771 6.506 1.00 0.00 O ATOM 775 CB TYR A 51 -0.151 8.063 3.834 1.00 0.00 C ATOM 776 CG TYR A 51 -0.364 9.054 2.732 1.00 0.00 C ATOM 777 CD1 TYR A 51 0.384 10.229 2.714 1.00 0.00 C ATOM 778 CD2 TYR A 51 -1.326 8.814 1.746 1.00 0.00 C ATOM 779 CE1 TYR A 51 0.176 11.174 1.710 1.00 0.00 C ATOM 780 CE2 TYR A 51 -1.532 9.757 0.735 1.00 0.00 C ATOM 781 CZ TYR A 51 -0.778 10.940 0.721 1.00 0.00 C ATOM 782 OH TYR A 51 -0.979 11.881 -0.260 1.00 0.00 O ATOM 0 H TYR A 51 0.996 9.687 5.315 1.00 0.00 H new ATOM 0 HA TYR A 51 -1.755 9.105 4.817 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.914 7.909 4.009 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.573 7.095 3.564 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.126 10.408 3.478 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.907 7.904 1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.754 12.087 1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.269 9.575 -0.033 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.143 12.365 -0.425 1.00 0.00 H new ATOM 792 N GLY A 52 -2.389 7.247 6.288 1.00 0.00 N ATOM 793 CA GLY A 52 -2.770 6.136 7.183 1.00 0.00 C ATOM 794 C GLY A 52 -2.641 4.827 6.411 1.00 0.00 C ATOM 795 O GLY A 52 -2.802 3.761 6.956 1.00 0.00 O ATOM 0 H GLY A 52 -3.165 7.794 5.916 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.128 6.121 8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.793 6.268 7.537 1.00 0.00 H new ATOM 799 N PHE A 53 -2.361 4.896 5.137 1.00 0.00 N ATOM 800 CA PHE A 53 -2.230 3.642 4.353 1.00 0.00 C ATOM 801 C PHE A 53 -1.417 3.920 3.082 1.00 0.00 C ATOM 802 O PHE A 53 -1.623 4.917 2.416 1.00 0.00 O ATOM 803 CB PHE A 53 -3.628 3.174 3.967 1.00 0.00 C ATOM 804 CG PHE A 53 -3.781 1.675 4.115 1.00 0.00 C ATOM 805 CD1 PHE A 53 -2.741 0.800 3.775 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.993 1.159 4.580 1.00 0.00 C ATOM 807 CE1 PHE A 53 -2.921 -0.578 3.904 1.00 0.00 C ATOM 808 CE2 PHE A 53 -5.175 -0.214 4.705 1.00 0.00 C ATOM 809 CZ PHE A 53 -4.138 -1.088 4.368 1.00 0.00 C ATOM 0 H PHE A 53 -2.219 5.759 4.613 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.724 2.877 4.942 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.365 3.678 4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.835 3.460 2.936 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.801 1.191 3.414 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.795 1.832 4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.118 -1.252 3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.117 -0.604 5.062 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.276 -2.155 4.466 1.00 0.00 H new ATOM 819 N VAL A 54 -0.502 3.052 2.734 1.00 0.00 N ATOM 820 CA VAL A 54 0.306 3.285 1.492 1.00 0.00 C ATOM 821 C VAL A 54 0.306 2.022 0.629 1.00 0.00 C ATOM 822 O VAL A 54 0.677 0.952 1.071 1.00 0.00 O ATOM 823 CB VAL A 54 1.740 3.662 1.862 1.00 0.00 C ATOM 824 CG1 VAL A 54 2.578 3.779 0.586 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.736 5.011 2.586 1.00 0.00 C ATOM 0 H VAL A 54 -0.278 2.200 3.248 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.140 4.104 0.928 1.00 0.00 H new ATOM 0 HB VAL A 54 2.164 2.896 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.602 4.048 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.576 2.824 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.154 4.549 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.757 5.284 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.315 5.774 1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.133 4.936 3.491 1.00 0.00 H new ATOM 835 N ILE A 55 -0.115 2.150 -0.605 1.00 0.00 N ATOM 836 CA ILE A 55 -0.154 0.974 -1.526 1.00 0.00 C ATOM 837 C ILE A 55 0.934 1.124 -2.590 1.00 0.00 C ATOM 838 O ILE A 55 0.738 1.777 -3.597 1.00 0.00 O ATOM 839 CB ILE A 55 -1.518 0.911 -2.217 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.635 1.020 -1.177 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.649 -0.418 -2.962 1.00 0.00 C ATOM 842 CD1 ILE A 55 -3.991 1.046 -1.887 1.00 0.00 C ATOM 0 H ILE A 55 -0.436 3.027 -1.016 1.00 0.00 H new ATOM 0 HA ILE A 55 0.012 0.062 -0.952 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.601 1.739 -2.921 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.589 0.176 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.506 1.924 -0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.620 -0.465 -3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.859 -0.496 -3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.561 -1.242 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.788 1.124 -1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.034 1.904 -2.558 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.118 0.129 -2.462 1.00 0.00 H new ATOM 854 N SER A 56 2.073 0.517 -2.375 1.00 0.00 N ATOM 855 CA SER A 56 3.184 0.607 -3.371 1.00 0.00 C ATOM 856 C SER A 56 3.448 -0.788 -3.949 1.00 0.00 C ATOM 857 O SER A 56 3.322 -1.790 -3.269 1.00 0.00 O ATOM 858 CB SER A 56 4.448 1.127 -2.676 1.00 0.00 C ATOM 859 OG SER A 56 4.657 2.488 -3.014 1.00 0.00 O ATOM 0 H SER A 56 2.283 -0.041 -1.547 1.00 0.00 H new ATOM 0 HA SER A 56 2.910 1.290 -4.175 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.349 1.022 -1.596 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.310 0.532 -2.976 1.00 0.00 H new ATOM 0 HG SER A 56 5.465 2.816 -2.566 1.00 0.00 H new ATOM 865 N ASP A 57 3.807 -0.867 -5.202 1.00 0.00 N ATOM 866 CA ASP A 57 4.076 -2.199 -5.812 1.00 0.00 C ATOM 867 C ASP A 57 5.488 -2.650 -5.432 1.00 0.00 C ATOM 868 O ASP A 57 6.083 -2.133 -4.508 1.00 0.00 O ATOM 869 CB ASP A 57 3.965 -2.099 -7.334 1.00 0.00 C ATOM 870 CG ASP A 57 3.423 -3.417 -7.894 1.00 0.00 C ATOM 871 OD1 ASP A 57 2.214 -3.580 -7.906 1.00 0.00 O ATOM 872 OD2 ASP A 57 4.227 -4.241 -8.299 1.00 0.00 O ATOM 0 H ASP A 57 3.925 -0.069 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 57 3.348 -2.922 -5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.305 -1.276 -7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.941 -1.882 -7.767 1.00 0.00 H new ATOM 877 N TRP A 58 6.028 -3.607 -6.141 1.00 0.00 N ATOM 878 CA TRP A 58 7.404 -4.097 -5.828 1.00 0.00 C ATOM 879 C TRP A 58 8.387 -3.534 -6.858 1.00 0.00 C ATOM 880 O TRP A 58 9.562 -3.383 -6.589 1.00 0.00 O ATOM 881 CB TRP A 58 7.419 -5.627 -5.889 1.00 0.00 C ATOM 882 CG TRP A 58 8.655 -6.155 -5.232 1.00 0.00 C ATOM 883 CD1 TRP A 58 9.786 -6.514 -5.881 1.00 0.00 C ATOM 884 CD2 TRP A 58 8.902 -6.400 -3.815 1.00 0.00 C ATOM 885 NE1 TRP A 58 10.711 -6.964 -4.954 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.213 -6.913 -3.667 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.123 -6.229 -2.656 1.00 0.00 C ATOM 888 CZ2 TRP A 58 10.732 -7.243 -2.414 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.642 -6.561 -1.394 1.00 0.00 C ATOM 890 CH2 TRP A 58 9.944 -7.068 -1.273 1.00 0.00 C ATOM 0 H TRP A 58 5.573 -4.072 -6.927 1.00 0.00 H new ATOM 0 HA TRP A 58 7.695 -3.769 -4.830 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.535 -6.027 -5.393 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.380 -5.958 -6.927 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.942 -6.459 -6.948 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.646 -7.293 -5.193 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.119 -5.840 -2.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.736 -7.631 -2.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.035 -6.425 -0.511 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.337 -7.323 -0.300 1.00 0.00 H new ATOM 901 N ASN A 59 7.913 -3.223 -8.035 1.00 0.00 N ATOM 902 CA ASN A 59 8.815 -2.668 -9.086 1.00 0.00 C ATOM 903 C ASN A 59 8.715 -1.141 -9.092 1.00 0.00 C ATOM 904 O ASN A 59 7.637 -0.583 -9.031 1.00 0.00 O ATOM 905 CB ASN A 59 8.397 -3.209 -10.455 1.00 0.00 C ATOM 906 CG ASN A 59 8.215 -2.046 -11.432 1.00 0.00 C ATOM 907 OD1 ASN A 59 7.261 -1.300 -11.333 1.00 0.00 O ATOM 908 ND2 ASN A 59 9.096 -1.858 -12.376 1.00 0.00 N ATOM 0 H ASN A 59 6.938 -3.330 -8.314 1.00 0.00 H new ATOM 0 HA ASN A 59 9.842 -2.965 -8.874 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.153 -3.898 -10.831 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.468 -3.772 -10.367 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.984 -1.084 -13.031 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.897 -2.485 -12.459 1.00 0.00 H new ATOM 915 N MET A 60 9.834 -0.466 -9.167 1.00 0.00 N ATOM 916 CA MET A 60 9.824 1.029 -9.180 1.00 0.00 C ATOM 917 C MET A 60 10.767 1.517 -10.295 1.00 0.00 C ATOM 918 O MET A 60 11.632 0.777 -10.719 1.00 0.00 O ATOM 919 CB MET A 60 10.322 1.537 -7.820 1.00 0.00 C ATOM 920 CG MET A 60 9.133 1.952 -6.948 1.00 0.00 C ATOM 921 SD MET A 60 8.099 0.507 -6.605 1.00 0.00 S ATOM 922 CE MET A 60 6.540 1.396 -6.376 1.00 0.00 C ATOM 0 H MET A 60 10.761 -0.889 -9.220 1.00 0.00 H new ATOM 0 HA MET A 60 8.817 1.405 -9.362 1.00 0.00 H new ATOM 0 HB2 MET A 60 10.896 0.757 -7.319 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.992 2.385 -7.962 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.488 2.388 -6.014 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.547 2.719 -7.455 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.889 0.825 -5.714 1.00 0.00 H new ATOM 0 HE2 MET A 60 6.739 2.373 -5.935 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.051 1.527 -7.341 1.00 0.00 H new ATOM 932 N PRO A 61 10.592 2.744 -10.748 1.00 0.00 N ATOM 933 CA PRO A 61 11.449 3.299 -11.814 1.00 0.00 C ATOM 934 C PRO A 61 12.923 3.244 -11.401 1.00 0.00 C ATOM 935 O PRO A 61 13.705 2.499 -11.959 1.00 0.00 O ATOM 936 CB PRO A 61 10.988 4.752 -11.980 1.00 0.00 C ATOM 937 CG PRO A 61 9.835 4.998 -10.976 1.00 0.00 C ATOM 938 CD PRO A 61 9.552 3.673 -10.255 1.00 0.00 C ATOM 0 HA PRO A 61 11.364 2.736 -12.743 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.813 5.439 -11.791 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.651 4.932 -13.001 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.111 5.772 -10.259 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.943 5.348 -11.496 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.609 3.792 -9.173 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.552 3.304 -10.483 1.00 0.00 H new ATOM 946 N ASN A 62 13.310 4.028 -10.432 1.00 0.00 N ATOM 947 CA ASN A 62 14.735 4.020 -9.995 1.00 0.00 C ATOM 948 C ASN A 62 14.952 2.908 -8.965 1.00 0.00 C ATOM 949 O ASN A 62 15.059 1.747 -9.304 1.00 0.00 O ATOM 950 CB ASN A 62 15.083 5.371 -9.367 1.00 0.00 C ATOM 951 CG ASN A 62 13.889 5.883 -8.559 1.00 0.00 C ATOM 952 OD1 ASN A 62 13.391 5.197 -7.688 1.00 0.00 O ATOM 953 ND2 ASN A 62 13.405 7.068 -8.813 1.00 0.00 N ATOM 0 H ASN A 62 12.703 4.672 -9.925 1.00 0.00 H new ATOM 0 HA ASN A 62 15.376 3.843 -10.858 1.00 0.00 H new ATOM 0 HB2 ASN A 62 15.955 5.270 -8.721 1.00 0.00 H new ATOM 0 HB3 ASN A 62 15.344 6.089 -10.145 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.609 7.419 -8.281 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.823 7.644 -9.544 1.00 0.00 H new ATOM 960 N MET A 63 15.022 3.257 -7.710 1.00 0.00 N ATOM 961 CA MET A 63 15.235 2.223 -6.659 1.00 0.00 C ATOM 962 C MET A 63 14.049 1.258 -6.639 1.00 0.00 C ATOM 963 O MET A 63 13.132 1.371 -7.427 1.00 0.00 O ATOM 964 CB MET A 63 15.359 2.903 -5.293 1.00 0.00 C ATOM 965 CG MET A 63 16.254 4.138 -5.412 1.00 0.00 C ATOM 966 SD MET A 63 17.810 3.683 -6.217 1.00 0.00 S ATOM 967 CE MET A 63 18.921 4.480 -5.032 1.00 0.00 C ATOM 0 H MET A 63 14.941 4.214 -7.367 1.00 0.00 H new ATOM 0 HA MET A 63 16.149 1.670 -6.877 1.00 0.00 H new ATOM 0 HB2 MET A 63 14.373 3.190 -4.928 1.00 0.00 H new ATOM 0 HB3 MET A 63 15.778 2.207 -4.566 1.00 0.00 H new ATOM 0 HG2 MET A 63 15.748 4.913 -5.988 1.00 0.00 H new ATOM 0 HG3 MET A 63 16.452 4.553 -4.424 1.00 0.00 H new ATOM 0 HE1 MET A 63 19.955 4.322 -5.340 1.00 0.00 H new ATOM 0 HE2 MET A 63 18.711 5.549 -4.999 1.00 0.00 H new ATOM 0 HE3 MET A 63 18.767 4.049 -4.043 1.00 0.00 H new ATOM 977 N ASP A 64 14.061 0.309 -5.743 1.00 0.00 N ATOM 978 CA ASP A 64 12.934 -0.663 -5.669 1.00 0.00 C ATOM 979 C ASP A 64 11.872 -0.135 -4.702 1.00 0.00 C ATOM 980 O ASP A 64 12.011 0.931 -4.136 1.00 0.00 O ATOM 981 CB ASP A 64 13.455 -2.012 -5.167 1.00 0.00 C ATOM 982 CG ASP A 64 14.512 -1.782 -4.085 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.129 -1.491 -2.964 1.00 0.00 O ATOM 984 OD2 ASP A 64 15.686 -1.900 -4.396 1.00 0.00 O ATOM 0 H ASP A 64 14.803 0.165 -5.059 1.00 0.00 H new ATOM 0 HA ASP A 64 12.496 -0.789 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.633 -2.605 -4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.883 -2.579 -5.994 1.00 0.00 H new ATOM 989 N GLY A 65 10.811 -0.870 -4.508 1.00 0.00 N ATOM 990 CA GLY A 65 9.745 -0.404 -3.575 1.00 0.00 C ATOM 991 C GLY A 65 10.089 -0.837 -2.150 1.00 0.00 C ATOM 992 O GLY A 65 9.761 -0.167 -1.191 1.00 0.00 O ATOM 0 H GLY A 65 10.636 -1.771 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.653 0.681 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.782 -0.820 -3.870 1.00 0.00 H new ATOM 996 N LEU A 66 10.750 -1.955 -2.000 1.00 0.00 N ATOM 997 CA LEU A 66 11.116 -2.424 -0.633 1.00 0.00 C ATOM 998 C LEU A 66 11.728 -1.258 0.146 1.00 0.00 C ATOM 999 O LEU A 66 11.499 -1.099 1.328 1.00 0.00 O ATOM 1000 CB LEU A 66 12.134 -3.568 -0.745 1.00 0.00 C ATOM 1001 CG LEU A 66 12.619 -3.991 0.648 1.00 0.00 C ATOM 1002 CD1 LEU A 66 11.423 -4.361 1.528 1.00 0.00 C ATOM 1003 CD2 LEU A 66 13.540 -5.206 0.513 1.00 0.00 C ATOM 0 H LEU A 66 11.051 -2.561 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 66 10.229 -2.784 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.680 -4.419 -1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.982 -3.250 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 66 13.159 -3.163 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.776 -4.660 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.762 -3.500 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.878 -5.187 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.887 -5.511 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.993 -6.028 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.397 -4.946 -0.109 1.00 0.00 H new ATOM 1015 N GLU A 67 12.503 -0.440 -0.512 1.00 0.00 N ATOM 1016 CA GLU A 67 13.127 0.719 0.185 1.00 0.00 C ATOM 1017 C GLU A 67 12.043 1.735 0.548 1.00 0.00 C ATOM 1018 O GLU A 67 12.106 2.386 1.572 1.00 0.00 O ATOM 1019 CB GLU A 67 14.153 1.382 -0.738 1.00 0.00 C ATOM 1020 CG GLU A 67 14.365 2.835 -0.310 1.00 0.00 C ATOM 1021 CD GLU A 67 15.705 3.340 -0.849 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.725 2.822 -0.424 1.00 0.00 O ATOM 1023 OE2 GLU A 67 15.689 4.237 -1.675 1.00 0.00 O ATOM 0 H GLU A 67 12.731 -0.525 -1.503 1.00 0.00 H new ATOM 0 HA GLU A 67 13.624 0.372 1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.097 0.839 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.807 1.343 -1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.553 3.457 -0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.347 2.910 0.777 1.00 0.00 H new ATOM 1030 N LEU A 68 11.048 1.880 -0.286 1.00 0.00 N ATOM 1031 CA LEU A 68 9.968 2.859 0.019 1.00 0.00 C ATOM 1032 C LEU A 68 9.238 2.427 1.286 1.00 0.00 C ATOM 1033 O LEU A 68 8.684 3.233 2.002 1.00 0.00 O ATOM 1034 CB LEU A 68 8.966 2.910 -1.145 1.00 0.00 C ATOM 1035 CG LEU A 68 9.255 4.117 -2.043 1.00 0.00 C ATOM 1036 CD1 LEU A 68 10.532 3.892 -2.865 1.00 0.00 C ATOM 1037 CD2 LEU A 68 8.073 4.343 -2.994 1.00 0.00 C ATOM 0 H LEU A 68 10.938 1.366 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 68 10.409 3.846 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.028 1.991 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.950 2.972 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 68 9.397 4.993 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.717 4.762 -3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.377 3.745 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.410 3.009 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.279 5.202 -3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.929 3.457 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.170 4.531 -2.414 1.00 0.00 H new ATOM 1049 N LEU A 69 9.236 1.157 1.560 1.00 0.00 N ATOM 1050 CA LEU A 69 8.549 0.640 2.775 1.00 0.00 C ATOM 1051 C LEU A 69 9.429 0.911 3.999 1.00 0.00 C ATOM 1052 O LEU A 69 9.042 1.604 4.924 1.00 0.00 O ATOM 1053 CB LEU A 69 8.355 -0.863 2.584 1.00 0.00 C ATOM 1054 CG LEU A 69 7.676 -1.501 3.804 1.00 0.00 C ATOM 1055 CD1 LEU A 69 6.235 -1.011 3.929 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.636 -3.015 3.629 1.00 0.00 C ATOM 0 H LEU A 69 9.687 0.444 0.987 1.00 0.00 H new ATOM 0 HA LEU A 69 7.586 1.127 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.751 -1.043 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.322 -1.337 2.415 1.00 0.00 H new ATOM 0 HG LEU A 69 8.243 -1.225 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.768 -1.473 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.228 0.073 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.679 -1.283 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.154 -3.469 4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.073 -3.263 2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.653 -3.398 3.538 1.00 0.00 H new ATOM 1068 N LYS A 70 10.614 0.365 3.998 1.00 0.00 N ATOM 1069 CA LYS A 70 11.549 0.578 5.140 1.00 0.00 C ATOM 1070 C LYS A 70 11.521 2.055 5.545 1.00 0.00 C ATOM 1071 O LYS A 70 11.678 2.396 6.701 1.00 0.00 O ATOM 1072 CB LYS A 70 12.969 0.200 4.697 1.00 0.00 C ATOM 1073 CG LYS A 70 13.642 -0.699 5.743 1.00 0.00 C ATOM 1074 CD LYS A 70 13.941 0.114 7.004 1.00 0.00 C ATOM 1075 CE LYS A 70 14.471 -0.811 8.101 1.00 0.00 C ATOM 1076 NZ LYS A 70 15.104 -2.010 7.483 1.00 0.00 N ATOM 0 H LYS A 70 10.978 -0.224 3.249 1.00 0.00 H new ATOM 0 HA LYS A 70 11.249 -0.039 5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.931 -0.316 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.562 1.103 4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.993 -1.540 5.986 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.565 -1.115 5.339 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.675 0.889 6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.037 0.619 7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.197 -0.281 8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.657 -1.116 8.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.652 -2.523 8.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.365 -2.634 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.737 -1.711 6.714 1.00 0.00 H new ATOM 1090 N THR A 71 11.318 2.933 4.600 1.00 0.00 N ATOM 1091 CA THR A 71 11.275 4.385 4.929 1.00 0.00 C ATOM 1092 C THR A 71 10.219 4.629 6.009 1.00 0.00 C ATOM 1093 O THR A 71 10.495 5.219 7.035 1.00 0.00 O ATOM 1094 CB THR A 71 10.917 5.183 3.673 1.00 0.00 C ATOM 1095 OG1 THR A 71 10.712 4.290 2.588 1.00 0.00 O ATOM 1096 CG2 THR A 71 12.058 6.143 3.336 1.00 0.00 C ATOM 0 H THR A 71 11.180 2.707 3.615 1.00 0.00 H new ATOM 0 HA THR A 71 12.251 4.705 5.295 1.00 0.00 H new ATOM 0 HB THR A 71 10.005 5.753 3.852 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.826 4.445 2.200 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.803 6.711 2.441 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.215 6.828 4.169 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.971 5.575 3.157 1.00 0.00 H new ATOM 1104 N ILE A 72 9.014 4.175 5.793 1.00 0.00 N ATOM 1105 CA ILE A 72 7.952 4.380 6.817 1.00 0.00 C ATOM 1106 C ILE A 72 8.407 3.754 8.134 1.00 0.00 C ATOM 1107 O ILE A 72 8.135 4.268 9.201 1.00 0.00 O ATOM 1108 CB ILE A 72 6.648 3.713 6.364 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.123 4.395 5.093 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.602 3.840 7.472 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.447 3.526 3.877 1.00 0.00 C ATOM 0 H ILE A 72 8.721 3.673 4.955 1.00 0.00 H new ATOM 0 HA ILE A 72 7.778 5.448 6.948 1.00 0.00 H new ATOM 0 HB ILE A 72 6.840 2.661 6.154 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.046 4.548 5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.578 5.379 4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.674 3.366 7.152 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.967 3.350 8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.419 4.894 7.680 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.074 4.010 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.526 3.396 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.971 2.552 3.989 1.00 0.00 H new ATOM 1123 N ARG A 73 9.099 2.649 8.072 1.00 0.00 N ATOM 1124 CA ARG A 73 9.567 2.001 9.330 1.00 0.00 C ATOM 1125 C ARG A 73 10.646 2.868 9.982 1.00 0.00 C ATOM 1126 O ARG A 73 10.823 2.854 11.184 1.00 0.00 O ATOM 1127 CB ARG A 73 10.143 0.620 9.018 1.00 0.00 C ATOM 1128 CG ARG A 73 10.814 0.051 10.272 1.00 0.00 C ATOM 1129 CD ARG A 73 10.873 -1.476 10.176 1.00 0.00 C ATOM 1130 NE ARG A 73 11.485 -2.030 11.416 1.00 0.00 N ATOM 1131 CZ ARG A 73 12.145 -3.155 11.372 1.00 0.00 C ATOM 1132 NH1 ARG A 73 13.222 -3.251 10.641 1.00 0.00 N ATOM 1133 NH2 ARG A 73 11.730 -4.184 12.058 1.00 0.00 N ATOM 0 H ARG A 73 9.359 2.169 7.210 1.00 0.00 H new ATOM 0 HA ARG A 73 8.724 1.894 10.013 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.351 -0.049 8.681 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.867 0.691 8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.820 0.458 10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.258 0.348 11.161 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.870 -1.881 10.041 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.457 -1.774 9.305 1.00 0.00 H new ATOM 0 HE ARG A 73 11.388 -1.530 12.300 1.00 0.00 H new ATOM 0 HH11 ARG A 73 13.548 -2.447 10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.738 -4.130 10.606 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.889 -4.110 12.630 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.247 -5.063 12.023 1.00 0.00 H new ATOM 1147 N ALA A 74 11.370 3.622 9.201 1.00 0.00 N ATOM 1148 CA ALA A 74 12.436 4.487 9.780 1.00 0.00 C ATOM 1149 C ALA A 74 11.871 5.249 10.981 1.00 0.00 C ATOM 1150 O ALA A 74 12.584 5.589 11.905 1.00 0.00 O ATOM 1151 CB ALA A 74 12.915 5.484 8.723 1.00 0.00 C ATOM 0 H ALA A 74 11.269 3.676 8.187 1.00 0.00 H new ATOM 0 HA ALA A 74 13.275 3.869 10.100 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.695 6.117 9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.314 4.942 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.078 6.105 8.403 1.00 0.00 H new ATOM 1157 N ASP A 75 10.594 5.517 10.975 1.00 0.00 N ATOM 1158 CA ASP A 75 9.980 6.253 12.115 1.00 0.00 C ATOM 1159 C ASP A 75 10.421 5.613 13.433 1.00 0.00 C ATOM 1160 O ASP A 75 10.673 6.290 14.409 1.00 0.00 O ATOM 1161 CB ASP A 75 8.456 6.188 11.999 1.00 0.00 C ATOM 1162 CG ASP A 75 7.882 7.607 11.999 1.00 0.00 C ATOM 1163 OD1 ASP A 75 7.779 8.183 13.068 1.00 0.00 O ATOM 1164 OD2 ASP A 75 7.555 8.091 10.928 1.00 0.00 O ATOM 0 H ASP A 75 9.949 5.258 10.229 1.00 0.00 H new ATOM 0 HA ASP A 75 10.302 7.294 12.093 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.172 5.670 11.083 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.042 5.617 12.830 1.00 0.00 H new ATOM 1169 N GLY A 76 10.518 4.312 13.468 1.00 0.00 N ATOM 1170 CA GLY A 76 10.942 3.630 14.723 1.00 0.00 C ATOM 1171 C GLY A 76 9.955 3.959 15.844 1.00 0.00 C ATOM 1172 O GLY A 76 10.341 4.287 16.948 1.00 0.00 O ATOM 0 H GLY A 76 10.322 3.692 12.682 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.984 2.552 14.567 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.945 3.951 15.002 1.00 0.00 H new ATOM 1176 N ALA A 77 8.682 3.873 15.569 1.00 0.00 N ATOM 1177 CA ALA A 77 7.671 4.182 16.618 1.00 0.00 C ATOM 1178 C ALA A 77 6.291 4.316 15.971 1.00 0.00 C ATOM 1179 O ALA A 77 5.340 3.679 16.377 1.00 0.00 O ATOM 1180 CB ALA A 77 8.039 5.495 17.313 1.00 0.00 C ATOM 0 H ALA A 77 8.299 3.602 14.663 1.00 0.00 H new ATOM 0 HA ALA A 77 7.652 3.377 17.352 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.299 5.720 18.081 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.022 5.400 17.774 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.059 6.302 16.580 1.00 0.00 H new ATOM 1186 N MET A 78 6.176 5.140 14.965 1.00 0.00 N ATOM 1187 CA MET A 78 4.859 5.316 14.289 1.00 0.00 C ATOM 1188 C MET A 78 4.780 4.385 13.078 1.00 0.00 C ATOM 1189 O MET A 78 4.010 4.601 12.164 1.00 0.00 O ATOM 1190 CB MET A 78 4.713 6.768 13.827 1.00 0.00 C ATOM 1191 CG MET A 78 4.234 7.630 14.997 1.00 0.00 C ATOM 1192 SD MET A 78 4.819 9.328 14.773 1.00 0.00 S ATOM 1193 CE MET A 78 4.673 9.847 16.501 1.00 0.00 C ATOM 0 H MET A 78 6.938 5.699 14.582 1.00 0.00 H new ATOM 0 HA MET A 78 4.057 5.074 14.986 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.667 7.140 13.454 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.003 6.829 13.002 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.146 7.613 15.053 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.608 7.226 15.938 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.989 10.886 16.597 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.636 9.752 16.823 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.306 9.216 17.125 1.00 0.00 H new ATOM 1203 N SER A 79 5.573 3.349 13.064 1.00 0.00 N ATOM 1204 CA SER A 79 5.546 2.403 11.913 1.00 0.00 C ATOM 1205 C SER A 79 4.290 1.534 11.998 1.00 0.00 C ATOM 1206 O SER A 79 4.316 0.360 11.687 1.00 0.00 O ATOM 1207 CB SER A 79 6.785 1.508 11.964 1.00 0.00 C ATOM 1208 OG SER A 79 6.669 0.607 13.056 1.00 0.00 O ATOM 0 H SER A 79 6.239 3.117 13.801 1.00 0.00 H new ATOM 0 HA SER A 79 5.538 2.965 10.979 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.887 0.955 11.030 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.683 2.116 12.073 1.00 0.00 H new ATOM 0 HG SER A 79 7.461 0.031 13.090 1.00 0.00 H new ATOM 1214 N ALA A 80 3.193 2.103 12.419 1.00 0.00 N ATOM 1215 CA ALA A 80 1.933 1.313 12.530 1.00 0.00 C ATOM 1216 C ALA A 80 1.069 1.538 11.287 1.00 0.00 C ATOM 1217 O ALA A 80 0.193 0.752 10.982 1.00 0.00 O ATOM 1218 CB ALA A 80 1.159 1.762 13.771 1.00 0.00 C ATOM 0 H ALA A 80 3.115 3.083 12.691 1.00 0.00 H new ATOM 0 HA ALA A 80 2.179 0.254 12.612 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.238 1.185 13.854 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.770 1.599 14.659 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.918 2.821 13.686 1.00 0.00 H new ATOM 1224 N LEU A 81 1.299 2.602 10.566 1.00 0.00 N ATOM 1225 CA LEU A 81 0.481 2.863 9.354 1.00 0.00 C ATOM 1226 C LEU A 81 0.499 1.607 8.448 1.00 0.00 C ATOM 1227 O LEU A 81 1.545 1.266 7.933 1.00 0.00 O ATOM 1228 CB LEU A 81 1.085 4.044 8.589 1.00 0.00 C ATOM 1229 CG LEU A 81 1.377 5.203 9.550 1.00 0.00 C ATOM 1230 CD1 LEU A 81 1.726 6.454 8.742 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.143 5.492 10.411 1.00 0.00 C ATOM 0 H LEU A 81 2.017 3.299 10.766 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.545 3.094 9.642 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.004 3.733 8.092 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.397 4.372 7.810 1.00 0.00 H new ATOM 0 HG LEU A 81 2.212 4.930 10.195 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.934 7.280 9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.606 6.258 8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.887 6.717 8.098 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.359 6.316 11.091 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.694 5.762 9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.114 4.604 10.988 1.00 0.00 H new ATOM 1243 N PRO A 82 -0.631 0.932 8.274 1.00 0.00 N ATOM 1244 CA PRO A 82 -0.674 -0.285 7.435 1.00 0.00 C ATOM 1245 C PRO A 82 -0.216 -0.034 5.990 1.00 0.00 C ATOM 1246 O PRO A 82 -0.457 1.005 5.396 1.00 0.00 O ATOM 1247 CB PRO A 82 -2.143 -0.731 7.451 1.00 0.00 C ATOM 1248 CG PRO A 82 -2.929 0.252 8.348 1.00 0.00 C ATOM 1249 CD PRO A 82 -1.937 1.293 8.879 1.00 0.00 C ATOM 0 HA PRO A 82 0.008 -1.039 7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.551 -0.735 6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.229 -1.748 7.833 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.724 0.736 7.780 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.404 -0.279 9.173 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.236 2.302 8.596 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.886 1.269 9.968 1.00 0.00 H new ATOM 1257 N VAL A 83 0.419 -1.025 5.419 1.00 0.00 N ATOM 1258 CA VAL A 83 0.881 -0.937 4.008 1.00 0.00 C ATOM 1259 C VAL A 83 0.329 -2.136 3.274 1.00 0.00 C ATOM 1260 O VAL A 83 0.461 -3.250 3.740 1.00 0.00 O ATOM 1261 CB VAL A 83 2.408 -1.006 3.927 1.00 0.00 C ATOM 1262 CG1 VAL A 83 2.831 -1.603 2.571 1.00 0.00 C ATOM 1263 CG2 VAL A 83 2.980 0.400 4.047 1.00 0.00 C ATOM 0 H VAL A 83 0.639 -1.906 5.883 1.00 0.00 H new ATOM 0 HA VAL A 83 0.543 0.006 3.578 1.00 0.00 H new ATOM 0 HB VAL A 83 2.783 -1.634 4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.919 -1.650 2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.419 -2.607 2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.455 -0.975 1.764 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.068 0.356 3.990 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.598 1.019 3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.684 0.833 5.003 1.00 0.00 H new ATOM 1273 N LEU A 84 -0.251 -1.934 2.129 1.00 0.00 N ATOM 1274 CA LEU A 84 -0.772 -3.091 1.367 1.00 0.00 C ATOM 1275 C LEU A 84 0.041 -3.239 0.091 1.00 0.00 C ATOM 1276 O LEU A 84 -0.433 -2.979 -0.998 1.00 0.00 O ATOM 1277 CB LEU A 84 -2.252 -2.890 1.033 1.00 0.00 C ATOM 1278 CG LEU A 84 -2.817 -4.152 0.366 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -2.705 -5.347 1.317 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -4.288 -3.922 0.028 1.00 0.00 C ATOM 0 H LEU A 84 -0.386 -1.023 1.691 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.683 -3.995 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.811 -2.668 1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.370 -2.034 0.369 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.249 -4.361 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.109 -6.236 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.658 -5.515 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.269 -5.142 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.696 -4.814 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.843 -3.711 0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.377 -3.076 -0.654 1.00 0.00 H new ATOM 1292 N MET A 85 1.271 -3.655 0.218 1.00 0.00 N ATOM 1293 CA MET A 85 2.113 -3.822 -0.990 1.00 0.00 C ATOM 1294 C MET A 85 1.323 -4.632 -2.009 1.00 0.00 C ATOM 1295 O MET A 85 0.366 -5.300 -1.665 1.00 0.00 O ATOM 1296 CB MET A 85 3.407 -4.558 -0.628 1.00 0.00 C ATOM 1297 CG MET A 85 4.250 -4.760 -1.889 1.00 0.00 C ATOM 1298 SD MET A 85 3.877 -6.377 -2.611 1.00 0.00 S ATOM 1299 CE MET A 85 4.889 -7.372 -1.487 1.00 0.00 C ATOM 0 H MET A 85 1.724 -3.884 1.103 1.00 0.00 H new ATOM 0 HA MET A 85 2.375 -2.848 -1.404 1.00 0.00 H new ATOM 0 HB2 MET A 85 3.969 -3.986 0.110 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.175 -5.522 -0.175 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.040 -3.970 -2.610 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.310 -4.695 -1.645 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.273 -8.243 -2.018 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.723 -6.773 -1.121 1.00 0.00 H new ATOM 0 HE3 MET A 85 4.281 -7.700 -0.644 1.00 0.00 H new ATOM 1309 N VAL A 86 1.688 -4.559 -3.256 1.00 0.00 N ATOM 1310 CA VAL A 86 0.926 -5.305 -4.295 1.00 0.00 C ATOM 1311 C VAL A 86 1.889 -5.955 -5.290 1.00 0.00 C ATOM 1312 O VAL A 86 2.673 -5.284 -5.931 1.00 0.00 O ATOM 1313 CB VAL A 86 0.017 -4.310 -5.013 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.876 -5.045 -6.001 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.853 -3.591 -3.979 1.00 0.00 C ATOM 0 H VAL A 86 2.479 -4.016 -3.602 1.00 0.00 H new ATOM 0 HA VAL A 86 0.333 -6.096 -3.836 1.00 0.00 H new ATOM 0 HB VAL A 86 0.627 -3.586 -5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.522 -4.329 -6.510 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.258 -5.562 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.489 -5.771 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.505 -2.879 -4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.460 -4.321 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.215 -3.061 -3.272 1.00 0.00 H new ATOM 1325 N THR A 87 1.842 -7.260 -5.433 1.00 0.00 N ATOM 1326 CA THR A 87 2.772 -7.921 -6.400 1.00 0.00 C ATOM 1327 C THR A 87 2.128 -9.187 -6.963 1.00 0.00 C ATOM 1328 O THR A 87 1.026 -9.541 -6.604 1.00 0.00 O ATOM 1329 CB THR A 87 4.083 -8.278 -5.694 1.00 0.00 C ATOM 1330 OG1 THR A 87 4.934 -8.965 -6.602 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.790 -9.174 -4.491 1.00 0.00 C ATOM 0 H THR A 87 1.211 -7.885 -4.931 1.00 0.00 H new ATOM 0 HA THR A 87 2.980 -7.233 -7.220 1.00 0.00 H new ATOM 0 HB THR A 87 4.573 -7.366 -5.353 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.775 -9.193 -6.153 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.724 -9.427 -3.990 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.136 -8.647 -3.796 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.300 -10.087 -4.828 1.00 0.00 H new ATOM 1339 N ALA A 88 2.813 -9.870 -7.846 1.00 0.00 N ATOM 1340 CA ALA A 88 2.252 -11.118 -8.444 1.00 0.00 C ATOM 1341 C ALA A 88 3.121 -12.311 -8.037 1.00 0.00 C ATOM 1342 O ALA A 88 2.624 -13.348 -7.644 1.00 0.00 O ATOM 1343 CB ALA A 88 2.243 -10.993 -9.968 1.00 0.00 C ATOM 0 H ALA A 88 3.742 -9.614 -8.180 1.00 0.00 H new ATOM 0 HA ALA A 88 1.234 -11.268 -8.085 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.834 -11.904 -10.405 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.628 -10.142 -10.260 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.261 -10.844 -10.327 1.00 0.00 H new ATOM 1349 N GLU A 89 4.417 -12.175 -8.130 1.00 0.00 N ATOM 1350 CA GLU A 89 5.315 -13.303 -7.749 1.00 0.00 C ATOM 1351 C GLU A 89 5.284 -13.492 -6.232 1.00 0.00 C ATOM 1352 O GLU A 89 4.651 -14.395 -5.722 1.00 0.00 O ATOM 1353 CB GLU A 89 6.746 -12.992 -8.193 1.00 0.00 C ATOM 1354 CG GLU A 89 6.749 -12.569 -9.662 1.00 0.00 C ATOM 1355 CD GLU A 89 8.080 -12.970 -10.302 1.00 0.00 C ATOM 1356 OE1 GLU A 89 9.099 -12.818 -9.647 1.00 0.00 O ATOM 1357 OE2 GLU A 89 8.058 -13.422 -11.435 1.00 0.00 O ATOM 0 H GLU A 89 4.892 -11.332 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 89 4.973 -14.216 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.164 -12.198 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.378 -13.869 -8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.921 -13.042 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.604 -11.492 -9.742 1.00 0.00 H new ATOM 1364 N ALA A 90 5.965 -12.648 -5.505 1.00 0.00 N ATOM 1365 CA ALA A 90 5.979 -12.781 -4.022 1.00 0.00 C ATOM 1366 C ALA A 90 6.629 -14.111 -3.634 1.00 0.00 C ATOM 1367 O ALA A 90 6.132 -15.172 -3.957 1.00 0.00 O ATOM 1368 CB ALA A 90 4.545 -12.744 -3.489 1.00 0.00 C ATOM 0 H ALA A 90 6.513 -11.871 -5.876 1.00 0.00 H new ATOM 0 HA ALA A 90 6.548 -11.957 -3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.558 -12.842 -2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.079 -11.797 -3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.975 -13.567 -3.921 1.00 0.00 H new ATOM 1374 N LYS A 91 7.735 -14.055 -2.939 1.00 0.00 N ATOM 1375 CA LYS A 91 8.433 -15.304 -2.513 1.00 0.00 C ATOM 1376 C LYS A 91 8.771 -15.197 -1.026 1.00 0.00 C ATOM 1377 O LYS A 91 9.004 -14.122 -0.519 1.00 0.00 O ATOM 1378 CB LYS A 91 9.726 -15.467 -3.320 1.00 0.00 C ATOM 1379 CG LYS A 91 9.600 -16.649 -4.288 1.00 0.00 C ATOM 1380 CD LYS A 91 9.753 -17.962 -3.517 1.00 0.00 C ATOM 1381 CE LYS A 91 8.913 -19.050 -4.189 1.00 0.00 C ATOM 1382 NZ LYS A 91 9.122 -20.345 -3.482 1.00 0.00 N ATOM 0 H LYS A 91 8.188 -13.190 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 91 7.790 -16.167 -2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.934 -14.553 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.567 -15.628 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.632 -16.620 -4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.363 -16.580 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.801 -18.261 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.434 -17.828 -2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.858 -18.777 -4.166 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.194 -19.146 -5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.551 -21.085 -3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.128 -20.606 -3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.833 -20.248 -2.488 1.00 0.00 H new ATOM 1396 N LYS A 92 8.789 -16.300 -0.327 1.00 0.00 N ATOM 1397 CA LYS A 92 9.103 -16.264 1.133 1.00 0.00 C ATOM 1398 C LYS A 92 10.272 -15.310 1.401 1.00 0.00 C ATOM 1399 O LYS A 92 10.216 -14.479 2.286 1.00 0.00 O ATOM 1400 CB LYS A 92 9.485 -17.670 1.605 1.00 0.00 C ATOM 1401 CG LYS A 92 8.347 -18.648 1.281 1.00 0.00 C ATOM 1402 CD LYS A 92 8.125 -19.622 2.448 1.00 0.00 C ATOM 1403 CE LYS A 92 9.326 -20.565 2.580 1.00 0.00 C ATOM 1404 NZ LYS A 92 9.146 -21.731 1.669 1.00 0.00 N ATOM 0 H LYS A 92 8.599 -17.228 -0.705 1.00 0.00 H new ATOM 0 HA LYS A 92 8.224 -15.914 1.675 1.00 0.00 H new ATOM 0 HB2 LYS A 92 10.405 -17.991 1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.679 -17.664 2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.429 -18.094 1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.585 -19.205 0.375 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.985 -19.066 3.375 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.215 -20.199 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 92 10.246 -20.036 2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.422 -20.907 3.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.961 -22.371 1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.276 -22.240 1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.075 -21.396 0.687 1.00 0.00 H new ATOM 1418 N GLU A 93 11.334 -15.434 0.655 1.00 0.00 N ATOM 1419 CA GLU A 93 12.509 -14.551 0.874 1.00 0.00 C ATOM 1420 C GLU A 93 12.150 -13.089 0.579 1.00 0.00 C ATOM 1421 O GLU A 93 12.719 -12.179 1.147 1.00 0.00 O ATOM 1422 CB GLU A 93 13.645 -14.988 -0.052 1.00 0.00 C ATOM 1423 CG GLU A 93 14.962 -14.374 0.426 1.00 0.00 C ATOM 1424 CD GLU A 93 16.052 -14.631 -0.616 1.00 0.00 C ATOM 1425 OE1 GLU A 93 15.723 -15.144 -1.673 1.00 0.00 O ATOM 1426 OE2 GLU A 93 17.196 -14.309 -0.340 1.00 0.00 O ATOM 0 H GLU A 93 11.437 -16.112 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 93 12.820 -14.632 1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.722 -16.075 -0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.436 -14.674 -1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.840 -13.302 0.584 1.00 0.00 H new ATOM 0 HG3 GLU A 93 15.251 -14.806 1.384 1.00 0.00 H new ATOM 1433 N ASN A 94 11.228 -12.853 -0.314 1.00 0.00 N ATOM 1434 CA ASN A 94 10.860 -11.445 -0.648 1.00 0.00 C ATOM 1435 C ASN A 94 9.727 -10.955 0.260 1.00 0.00 C ATOM 1436 O ASN A 94 9.554 -9.770 0.459 1.00 0.00 O ATOM 1437 CB ASN A 94 10.402 -11.376 -2.105 1.00 0.00 C ATOM 1438 CG ASN A 94 11.608 -11.115 -3.009 1.00 0.00 C ATOM 1439 OD1 ASN A 94 12.425 -10.261 -2.724 1.00 0.00 O ATOM 1440 ND2 ASN A 94 11.757 -11.821 -4.097 1.00 0.00 N ATOM 0 H ASN A 94 10.714 -13.570 -0.826 1.00 0.00 H new ATOM 0 HA ASN A 94 11.732 -10.809 -0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.917 -12.310 -2.389 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.664 -10.583 -2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.558 -11.656 -4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 94 11.072 -12.538 -4.338 1.00 0.00 H new ATOM 1447 N ILE A 95 8.949 -11.848 0.806 1.00 0.00 N ATOM 1448 CA ILE A 95 7.830 -11.416 1.691 1.00 0.00 C ATOM 1449 C ILE A 95 8.321 -11.332 3.138 1.00 0.00 C ATOM 1450 O ILE A 95 7.689 -10.728 3.981 1.00 0.00 O ATOM 1451 CB ILE A 95 6.680 -12.421 1.589 1.00 0.00 C ATOM 1452 CG1 ILE A 95 6.242 -12.546 0.127 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.498 -11.933 2.430 1.00 0.00 C ATOM 1454 CD1 ILE A 95 5.254 -13.705 -0.014 1.00 0.00 C ATOM 0 H ILE A 95 9.039 -12.856 0.678 1.00 0.00 H new ATOM 0 HA ILE A 95 7.477 -10.434 1.377 1.00 0.00 H new ATOM 0 HB ILE A 95 7.013 -13.391 1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.779 -11.617 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.110 -12.715 -0.510 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.679 -12.649 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.806 -11.839 3.471 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.165 -10.963 2.061 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.943 -13.793 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.733 -14.632 0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.381 -13.517 0.611 1.00 0.00 H new ATOM 1466 N ILE A 96 9.443 -11.929 3.434 1.00 0.00 N ATOM 1467 CA ILE A 96 9.964 -11.874 4.830 1.00 0.00 C ATOM 1468 C ILE A 96 10.545 -10.486 5.098 1.00 0.00 C ATOM 1469 O ILE A 96 10.006 -9.716 5.868 1.00 0.00 O ATOM 1470 CB ILE A 96 11.058 -12.926 5.017 1.00 0.00 C ATOM 1471 CG1 ILE A 96 10.413 -14.288 5.286 1.00 0.00 C ATOM 1472 CG2 ILE A 96 11.937 -12.538 6.207 1.00 0.00 C ATOM 1473 CD1 ILE A 96 11.469 -15.387 5.158 1.00 0.00 C ATOM 0 H ILE A 96 10.019 -12.450 2.773 1.00 0.00 H new ATOM 0 HA ILE A 96 9.150 -12.074 5.527 1.00 0.00 H new ATOM 0 HB ILE A 96 11.668 -12.982 4.115 1.00 0.00 H new ATOM 0 HG12 ILE A 96 9.975 -14.304 6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 96 9.602 -14.464 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 96 12.718 -13.287 6.342 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.394 -11.566 6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 96 11.326 -12.484 7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 96 11.010 -16.357 5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.886 -15.375 4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 96 12.265 -15.213 5.882 1.00 0.00 H new ATOM 1485 N ALA A 97 11.637 -10.163 4.466 1.00 0.00 N ATOM 1486 CA ALA A 97 12.253 -8.822 4.681 1.00 0.00 C ATOM 1487 C ALA A 97 11.165 -7.759 4.587 1.00 0.00 C ATOM 1488 O ALA A 97 11.098 -6.847 5.388 1.00 0.00 O ATOM 1489 CB ALA A 97 13.314 -8.566 3.609 1.00 0.00 C ATOM 0 H ALA A 97 12.131 -10.768 3.810 1.00 0.00 H new ATOM 0 HA ALA A 97 12.723 -8.785 5.664 1.00 0.00 H new ATOM 0 HB1 ALA A 97 13.763 -7.585 3.768 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.086 -9.333 3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.850 -8.597 2.623 1.00 0.00 H new ATOM 1495 N ALA A 98 10.305 -7.875 3.618 1.00 0.00 N ATOM 1496 CA ALA A 98 9.212 -6.880 3.474 1.00 0.00 C ATOM 1497 C ALA A 98 8.353 -6.888 4.741 1.00 0.00 C ATOM 1498 O ALA A 98 8.078 -5.857 5.322 1.00 0.00 O ATOM 1499 CB ALA A 98 8.344 -7.248 2.270 1.00 0.00 C ATOM 0 H ALA A 98 10.312 -8.617 2.918 1.00 0.00 H new ATOM 0 HA ALA A 98 9.638 -5.888 3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.541 -6.518 2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.955 -7.249 1.368 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.916 -8.239 2.420 1.00 0.00 H new ATOM 1505 N ALA A 99 7.911 -8.042 5.158 1.00 0.00 N ATOM 1506 CA ALA A 99 7.052 -8.127 6.371 1.00 0.00 C ATOM 1507 C ALA A 99 7.708 -7.398 7.548 1.00 0.00 C ATOM 1508 O ALA A 99 7.070 -6.642 8.253 1.00 0.00 O ATOM 1509 CB ALA A 99 6.844 -9.598 6.740 1.00 0.00 C ATOM 0 H ALA A 99 8.110 -8.935 4.707 1.00 0.00 H new ATOM 0 HA ALA A 99 6.093 -7.655 6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.215 -9.665 7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.359 -10.116 5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.809 -10.062 6.943 1.00 0.00 H new ATOM 1515 N GLN A 100 8.972 -7.629 7.779 1.00 0.00 N ATOM 1516 CA GLN A 100 9.652 -6.959 8.926 1.00 0.00 C ATOM 1517 C GLN A 100 9.971 -5.501 8.580 1.00 0.00 C ATOM 1518 O GLN A 100 10.629 -4.814 9.335 1.00 0.00 O ATOM 1519 CB GLN A 100 10.952 -7.700 9.245 1.00 0.00 C ATOM 1520 CG GLN A 100 11.088 -7.861 10.762 1.00 0.00 C ATOM 1521 CD GLN A 100 10.067 -8.886 11.261 1.00 0.00 C ATOM 1522 OE1 GLN A 100 9.354 -8.635 12.211 1.00 0.00 O ATOM 1523 NE2 GLN A 100 9.968 -10.037 10.655 1.00 0.00 N ATOM 0 H GLN A 100 9.562 -8.250 7.226 1.00 0.00 H new ATOM 0 HA GLN A 100 8.989 -6.979 9.791 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.954 -8.678 8.763 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.804 -7.148 8.849 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.098 -8.185 11.015 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.928 -6.903 11.256 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.568 -10.246 9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.291 -10.727 10.979 1.00 0.00 H new ATOM 1532 N ALA A 101 9.515 -5.029 7.447 1.00 0.00 N ATOM 1533 CA ALA A 101 9.799 -3.613 7.049 1.00 0.00 C ATOM 1534 C ALA A 101 8.514 -2.775 7.100 1.00 0.00 C ATOM 1535 O ALA A 101 8.568 -1.563 7.125 1.00 0.00 O ATOM 1536 CB ALA A 101 10.361 -3.590 5.628 1.00 0.00 C ATOM 0 H ALA A 101 8.958 -5.562 6.779 1.00 0.00 H new ATOM 0 HA ALA A 101 10.525 -3.190 7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.569 -2.561 5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.283 -4.171 5.592 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.633 -4.022 4.942 1.00 0.00 H new ATOM 1542 N GLY A 102 7.367 -3.403 7.109 1.00 0.00 N ATOM 1543 CA GLY A 102 6.089 -2.641 7.154 1.00 0.00 C ATOM 1544 C GLY A 102 5.093 -3.249 6.166 1.00 0.00 C ATOM 1545 O GLY A 102 3.921 -2.948 6.189 1.00 0.00 O ATOM 0 H GLY A 102 7.263 -4.417 7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.676 -2.664 8.162 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.269 -1.595 6.907 1.00 0.00 H new ATOM 1549 N ALA A 103 5.566 -4.110 5.308 1.00 0.00 N ATOM 1550 CA ALA A 103 4.696 -4.783 4.290 1.00 0.00 C ATOM 1551 C ALA A 103 3.515 -5.504 4.950 1.00 0.00 C ATOM 1552 O ALA A 103 2.865 -6.313 4.320 1.00 0.00 O ATOM 1553 CB ALA A 103 5.514 -5.790 3.487 1.00 0.00 C ATOM 0 H ALA A 103 6.547 -4.386 5.266 1.00 0.00 H new ATOM 0 HA ALA A 103 4.303 -4.011 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.873 -6.274 2.750 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.328 -5.274 2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.926 -6.543 4.159 1.00 0.00 H new ATOM 1559 N SER A 104 3.284 -5.266 6.219 1.00 0.00 N ATOM 1560 CA SER A 104 2.190 -5.974 6.968 1.00 0.00 C ATOM 1561 C SER A 104 1.034 -6.355 6.037 1.00 0.00 C ATOM 1562 O SER A 104 0.455 -7.415 6.176 1.00 0.00 O ATOM 1563 CB SER A 104 1.660 -5.052 8.067 1.00 0.00 C ATOM 1564 OG SER A 104 2.445 -5.218 9.240 1.00 0.00 O ATOM 0 H SER A 104 3.815 -4.600 6.779 1.00 0.00 H new ATOM 0 HA SER A 104 2.603 -6.887 7.397 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.696 -4.014 7.735 1.00 0.00 H new ATOM 0 HB3 SER A 104 0.616 -5.283 8.279 1.00 0.00 H new ATOM 0 HG SER A 104 2.108 -4.627 9.945 1.00 0.00 H new ATOM 1570 N GLY A 105 0.716 -5.531 5.073 1.00 0.00 N ATOM 1571 CA GLY A 105 -0.374 -5.883 4.119 1.00 0.00 C ATOM 1572 C GLY A 105 0.271 -6.274 2.787 1.00 0.00 C ATOM 1573 O GLY A 105 1.039 -5.523 2.218 1.00 0.00 O ATOM 0 H GLY A 105 1.164 -4.630 4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.971 -6.707 4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.048 -5.038 3.982 1.00 0.00 H new ATOM 1577 N TYR A 106 -0.016 -7.446 2.292 1.00 0.00 N ATOM 1578 CA TYR A 106 0.595 -7.873 1.002 1.00 0.00 C ATOM 1579 C TYR A 106 -0.405 -8.714 0.223 1.00 0.00 C ATOM 1580 O TYR A 106 -0.652 -9.862 0.537 1.00 0.00 O ATOM 1581 CB TYR A 106 1.866 -8.691 1.267 1.00 0.00 C ATOM 1582 CG TYR A 106 1.940 -9.873 0.318 1.00 0.00 C ATOM 1583 CD1 TYR A 106 1.961 -9.673 -1.073 1.00 0.00 C ATOM 1584 CD2 TYR A 106 1.998 -11.178 0.831 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.036 -10.772 -1.935 1.00 0.00 C ATOM 1586 CE2 TYR A 106 2.074 -12.272 -0.035 1.00 0.00 C ATOM 1587 CZ TYR A 106 2.093 -12.069 -1.416 1.00 0.00 C ATOM 1588 OH TYR A 106 2.166 -13.151 -2.270 1.00 0.00 O ATOM 0 H TYR A 106 -0.645 -8.124 2.723 1.00 0.00 H new ATOM 0 HA TYR A 106 0.859 -6.990 0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 106 2.746 -8.060 1.141 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.871 -9.043 2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.919 -8.672 -1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.984 -11.337 1.899 1.00 0.00 H new ATOM 0 HE1 TYR A 106 2.050 -10.618 -3.004 1.00 0.00 H new ATOM 0 HE2 TYR A 106 2.118 -13.275 0.364 1.00 0.00 H new ATOM 0 HH TYR A 106 2.200 -13.979 -1.747 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.971 -8.145 -0.799 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.948 -8.891 -1.625 1.00 0.00 C ATOM 1600 C VAL A 107 -1.258 -9.321 -2.912 1.00 0.00 C ATOM 1601 O VAL A 107 -0.542 -8.551 -3.526 1.00 0.00 O ATOM 1602 CB VAL A 107 -3.121 -7.985 -1.977 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.663 -6.960 -3.018 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -4.252 -8.836 -2.553 1.00 0.00 C ATOM 0 H VAL A 107 -0.796 -7.186 -1.099 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.312 -9.758 -1.074 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.476 -7.465 -1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.496 -6.307 -3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.848 -6.364 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.318 -7.479 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -5.096 -8.195 -2.808 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.902 -9.348 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.566 -9.573 -1.813 1.00 0.00 H new ATOM 1614 N VAL A 108 -1.468 -10.528 -3.338 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.821 -10.966 -4.594 1.00 0.00 C ATOM 1616 C VAL A 108 -1.740 -10.579 -5.765 1.00 0.00 C ATOM 1617 O VAL A 108 -2.718 -11.246 -6.040 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.622 -12.487 -4.582 1.00 0.00 C ATOM 1619 CG1 VAL A 108 0.786 -12.824 -5.076 1.00 0.00 C ATOM 1620 CG2 VAL A 108 -0.806 -13.020 -3.157 1.00 0.00 C ATOM 0 H VAL A 108 -2.054 -11.224 -2.876 1.00 0.00 H new ATOM 0 HA VAL A 108 0.153 -10.488 -4.697 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.357 -12.951 -5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.926 -13.905 -5.067 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.914 -12.450 -6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.522 -12.357 -4.422 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.664 -14.101 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.074 -12.555 -2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.811 -12.784 -2.807 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.455 -9.502 -6.445 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.337 -9.087 -7.579 1.00 0.00 C ATOM 1632 C LYS A 109 -2.294 -10.168 -8.671 1.00 0.00 C ATOM 1633 O LYS A 109 -1.306 -10.868 -8.777 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.825 -7.757 -8.147 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.312 -7.833 -8.343 1.00 0.00 C ATOM 1636 CD LYS A 109 0.097 -6.905 -9.488 1.00 0.00 C ATOM 1637 CE LYS A 109 1.622 -6.885 -9.611 1.00 0.00 C ATOM 1638 NZ LYS A 109 2.002 -6.673 -11.036 1.00 0.00 N ATOM 0 H LYS A 109 -0.656 -8.893 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.363 -8.964 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.315 -7.543 -9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.074 -6.940 -7.469 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.200 -7.544 -7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.014 -8.857 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -0.349 -7.245 -10.423 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.277 -5.898 -9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.037 -6.091 -8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.039 -7.824 -9.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.038 -6.659 -11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.617 -7.446 -11.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.616 -5.766 -11.367 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.334 -10.277 -9.485 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.576 -9.455 -9.413 1.00 0.00 C ATOM 1654 C PRO A 110 -5.461 -9.887 -8.235 1.00 0.00 C ATOM 1655 O PRO A 110 -5.327 -10.976 -7.713 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.318 -9.771 -10.721 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.478 -10.811 -11.503 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.313 -11.238 -10.600 1.00 0.00 C ATOM 0 HA PRO A 110 -4.346 -8.398 -9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.313 -10.164 -10.510 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.452 -8.865 -11.313 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.089 -11.672 -11.773 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.105 -10.381 -12.433 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.442 -12.260 -10.244 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.364 -11.204 -11.135 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.380 -9.044 -7.832 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.292 -9.412 -6.710 1.00 0.00 C ATOM 1668 C PHE A 111 -8.686 -8.870 -6.972 1.00 0.00 C ATOM 1669 O PHE A 111 -8.888 -7.966 -7.757 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.812 -8.821 -5.381 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.469 -7.360 -5.548 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.484 -6.395 -5.647 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -5.133 -6.973 -5.611 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -7.143 -5.047 -5.814 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.794 -5.627 -5.780 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.800 -4.664 -5.884 1.00 0.00 C ATOM 0 H PHE A 111 -6.536 -8.119 -8.232 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.299 -10.500 -6.647 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.588 -8.935 -4.624 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.938 -9.368 -5.027 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.521 -6.690 -5.595 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -4.354 -7.717 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.920 -4.301 -5.889 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.756 -5.333 -5.830 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.541 -3.624 -6.018 1.00 0.00 H new ATOM 1686 N THR A 112 -9.636 -9.402 -6.269 1.00 0.00 N ATOM 1687 CA THR A 112 -11.036 -8.927 -6.392 1.00 0.00 C ATOM 1688 C THR A 112 -11.335 -8.098 -5.146 1.00 0.00 C ATOM 1689 O THR A 112 -10.783 -8.348 -4.094 1.00 0.00 O ATOM 1690 CB THR A 112 -11.986 -10.127 -6.455 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.275 -11.268 -6.914 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.137 -9.821 -7.413 1.00 0.00 C ATOM 0 H THR A 112 -9.500 -10.161 -5.601 1.00 0.00 H new ATOM 0 HA THR A 112 -11.171 -8.336 -7.298 1.00 0.00 H new ATOM 0 HB THR A 112 -12.388 -10.324 -5.461 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.881 -12.037 -6.953 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.812 -10.676 -7.456 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.682 -8.946 -7.059 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.739 -9.622 -8.408 1.00 0.00 H new ATOM 1700 N ALA A 113 -12.175 -7.110 -5.243 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.462 -6.282 -4.040 1.00 0.00 C ATOM 1702 C ALA A 113 -12.747 -7.198 -2.856 1.00 0.00 C ATOM 1703 O ALA A 113 -12.635 -6.801 -1.716 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.675 -5.385 -4.299 1.00 0.00 C ATOM 0 H ALA A 113 -12.671 -6.841 -6.092 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.598 -5.655 -3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.878 -4.783 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.468 -4.729 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.544 -6.004 -4.524 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.091 -8.427 -3.111 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.354 -9.356 -1.983 1.00 0.00 C ATOM 1712 C ALA A 114 -12.016 -9.808 -1.410 1.00 0.00 C ATOM 1713 O ALA A 114 -11.859 -9.946 -0.213 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.150 -10.565 -2.475 1.00 0.00 C ATOM 0 H ALA A 114 -13.201 -8.825 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.937 -8.852 -1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.338 -11.241 -1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.100 -10.230 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.580 -11.087 -3.244 1.00 0.00 H new ATOM 1720 N THR A 115 -11.036 -10.014 -2.248 1.00 0.00 N ATOM 1721 CA THR A 115 -9.709 -10.425 -1.724 1.00 0.00 C ATOM 1722 C THR A 115 -9.069 -9.206 -1.062 1.00 0.00 C ATOM 1723 O THR A 115 -8.815 -9.219 0.126 1.00 0.00 O ATOM 1724 CB THR A 115 -8.823 -10.945 -2.853 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.534 -10.877 -4.077 1.00 0.00 O ATOM 1726 CG2 THR A 115 -8.435 -12.397 -2.566 1.00 0.00 C ATOM 0 H THR A 115 -11.098 -9.916 -3.261 1.00 0.00 H new ATOM 0 HA THR A 115 -9.825 -11.231 -1.000 1.00 0.00 H new ATOM 0 HB THR A 115 -7.922 -10.336 -2.922 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.834 -11.775 -4.331 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.802 -12.770 -3.371 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.891 -12.449 -1.623 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.335 -13.008 -2.499 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.817 -8.136 -1.795 1.00 0.00 N ATOM 1735 CA LEU A 116 -8.220 -6.946 -1.132 1.00 0.00 C ATOM 1736 C LEU A 116 -9.004 -6.643 0.150 1.00 0.00 C ATOM 1737 O LEU A 116 -8.437 -6.277 1.160 1.00 0.00 O ATOM 1738 CB LEU A 116 -8.296 -5.733 -2.058 1.00 0.00 C ATOM 1739 CG LEU A 116 -7.051 -4.859 -1.844 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -5.812 -5.548 -2.421 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -7.234 -3.512 -2.544 1.00 0.00 C ATOM 0 H LEU A 116 -8.997 -8.046 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 116 -7.176 -7.154 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.354 -6.056 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -9.199 -5.158 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 116 -6.918 -4.707 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -4.938 -4.917 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.663 -6.506 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.951 -5.712 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -6.347 -2.897 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.380 -3.674 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.105 -3.003 -2.132 1.00 0.00 H new ATOM 1753 N GLU A 117 -10.306 -6.795 0.122 1.00 0.00 N ATOM 1754 CA GLU A 117 -11.106 -6.517 1.343 1.00 0.00 C ATOM 1755 C GLU A 117 -10.779 -7.558 2.415 1.00 0.00 C ATOM 1756 O GLU A 117 -10.583 -7.237 3.571 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.601 -6.578 1.013 1.00 0.00 C ATOM 1758 CG GLU A 117 -13.421 -6.493 2.303 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.897 -7.892 2.698 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -13.078 -8.795 2.705 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -15.074 -8.036 2.987 1.00 0.00 O ATOM 0 H GLU A 117 -10.842 -7.098 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.861 -5.521 1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.869 -5.759 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.829 -7.505 0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.817 -6.063 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -14.277 -5.833 2.160 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.718 -8.804 2.038 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.404 -9.870 3.028 1.00 0.00 C ATOM 1770 C GLU A 118 -9.071 -9.559 3.711 1.00 0.00 C ATOM 1771 O GLU A 118 -8.826 -9.967 4.826 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.303 -11.220 2.313 1.00 0.00 C ATOM 1773 CG GLU A 118 -9.471 -12.187 3.159 1.00 0.00 C ATOM 1774 CD GLU A 118 -9.780 -13.626 2.745 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -10.497 -13.803 1.774 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -9.295 -14.529 3.407 1.00 0.00 O ATOM 0 H GLU A 118 -10.873 -9.131 1.084 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.196 -9.911 3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.299 -11.630 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.844 -11.091 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.409 -11.980 3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.695 -12.046 4.216 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.205 -8.843 3.046 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.884 -8.515 3.654 1.00 0.00 C ATOM 1785 C LYS A 119 -7.024 -7.314 4.593 1.00 0.00 C ATOM 1786 O LYS A 119 -6.724 -7.395 5.768 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.886 -8.175 2.545 1.00 0.00 C ATOM 1788 CG LYS A 119 -4.877 -9.317 2.397 1.00 0.00 C ATOM 1789 CD LYS A 119 -5.616 -10.611 2.051 1.00 0.00 C ATOM 1790 CE LYS A 119 -4.790 -11.421 1.050 1.00 0.00 C ATOM 1791 NZ LYS A 119 -5.233 -12.844 1.077 1.00 0.00 N ATOM 0 H LYS A 119 -8.355 -8.471 2.108 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.528 -9.375 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.412 -8.017 1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.367 -7.246 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.154 -9.079 1.616 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.316 -9.443 3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.788 -11.196 2.954 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.594 -10.381 1.629 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.909 -11.011 0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.731 -11.354 1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.672 -13.395 0.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.097 -13.232 2.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -6.239 -12.899 0.821 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.469 -6.199 4.082 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.619 -4.988 4.939 1.00 0.00 C ATOM 1807 C LEU A 120 -8.311 -5.370 6.248 1.00 0.00 C ATOM 1808 O LEU A 120 -7.873 -5.014 7.322 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.475 -3.949 4.195 1.00 0.00 C ATOM 1810 CG LEU A 120 -8.285 -2.542 4.787 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -8.109 -1.534 3.650 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -9.522 -2.161 5.601 1.00 0.00 C ATOM 0 H LEU A 120 -7.736 -6.074 3.106 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.636 -4.570 5.158 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -8.205 -3.941 3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.526 -4.232 4.253 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.404 -2.535 5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.974 -0.536 4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -7.233 -1.802 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.994 -1.545 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -9.388 -1.164 6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -10.399 -2.168 4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -9.661 -2.879 6.409 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.396 -6.084 6.161 1.00 0.00 N ATOM 1825 CA ASN A 121 -10.129 -6.486 7.396 1.00 0.00 C ATOM 1826 C ASN A 121 -9.245 -7.381 8.269 1.00 0.00 C ATOM 1827 O ASN A 121 -9.324 -7.351 9.481 1.00 0.00 O ATOM 1828 CB ASN A 121 -11.397 -7.250 7.007 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.588 -6.290 6.996 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.424 -5.102 6.806 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -13.790 -6.760 7.193 1.00 0.00 N ATOM 0 H ASN A 121 -9.810 -6.408 5.287 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.393 -5.591 7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.273 -7.704 6.024 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -11.577 -8.061 7.713 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -14.592 -6.129 7.187 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -13.928 -7.758 7.353 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.409 -8.182 7.668 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.531 -9.082 8.473 1.00 0.00 C ATOM 1840 C LYS A 122 -6.508 -8.249 9.248 1.00 0.00 C ATOM 1841 O LYS A 122 -6.086 -8.615 10.327 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.792 -10.047 7.541 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.604 -11.402 8.233 1.00 0.00 C ATOM 1844 CD LYS A 122 -7.844 -12.273 8.006 1.00 0.00 C ATOM 1845 CE LYS A 122 -7.634 -13.638 8.663 1.00 0.00 C ATOM 1846 NZ LYS A 122 -6.588 -14.393 7.915 1.00 0.00 N ATOM 0 H LYS A 122 -8.295 -8.253 6.657 1.00 0.00 H new ATOM 0 HA LYS A 122 -8.146 -9.647 9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.355 -10.176 6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.822 -9.631 7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.719 -11.902 7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.440 -11.257 9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -8.725 -11.787 8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -8.025 -12.395 6.938 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -7.332 -13.511 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -8.569 -14.199 8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.664 -15.406 8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -6.723 -14.253 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.647 -14.047 8.191 1.00 0.00 H new ATOM 1860 N ILE A 123 -6.101 -7.138 8.704 1.00 0.00 N ATOM 1861 CA ILE A 123 -5.099 -6.289 9.407 1.00 0.00 C ATOM 1862 C ILE A 123 -5.811 -5.304 10.332 1.00 0.00 C ATOM 1863 O ILE A 123 -5.344 -5.004 11.414 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.288 -5.506 8.376 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.223 -6.418 7.763 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.610 -4.316 9.060 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.616 -5.740 6.535 1.00 0.00 C ATOM 0 H ILE A 123 -6.418 -6.780 7.803 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.439 -6.927 9.995 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.951 -5.145 7.590 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.445 -6.630 8.496 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.665 -7.374 7.482 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.031 -3.756 8.326 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.369 -3.666 9.496 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.947 -4.677 9.846 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.857 -6.390 6.098 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.398 -5.551 5.800 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.159 -4.795 6.830 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.927 -4.780 9.911 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.649 -3.799 10.759 1.00 0.00 C ATOM 1881 C PHE A 124 -8.305 -4.518 11.934 1.00 0.00 C ATOM 1882 O PHE A 124 -8.872 -3.902 12.814 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.692 -3.059 9.920 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.008 -1.915 9.213 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -6.894 -2.166 8.399 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -8.467 -0.604 9.384 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -6.245 -1.112 7.758 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.814 0.451 8.737 1.00 0.00 C ATOM 1889 CZ PHE A 124 -6.705 0.193 7.926 1.00 0.00 C ATOM 0 H PHE A 124 -7.369 -4.990 9.016 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.944 -3.068 11.154 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.146 -3.736 9.196 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.495 -2.686 10.555 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -6.538 -3.177 8.269 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -9.322 -0.407 10.013 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.387 -1.306 7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.167 1.464 8.864 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.202 1.009 7.427 1.00 0.00 H new ATOM 1899 N GLU A 125 -8.206 -5.818 11.974 1.00 0.00 N ATOM 1900 CA GLU A 125 -8.794 -6.564 13.117 1.00 0.00 C ATOM 1901 C GLU A 125 -7.894 -6.338 14.328 1.00 0.00 C ATOM 1902 O GLU A 125 -8.336 -6.329 15.460 1.00 0.00 O ATOM 1903 CB GLU A 125 -8.859 -8.056 12.785 1.00 0.00 C ATOM 1904 CG GLU A 125 -9.395 -8.828 13.992 1.00 0.00 C ATOM 1905 CD GLU A 125 -9.891 -10.202 13.539 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -9.076 -10.978 13.066 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -11.076 -10.456 13.675 1.00 0.00 O ATOM 0 H GLU A 125 -7.745 -6.392 11.268 1.00 0.00 H new ATOM 0 HA GLU A 125 -9.806 -6.215 13.323 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -9.504 -8.219 11.921 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.868 -8.423 12.517 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.612 -8.941 14.742 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.207 -8.273 14.461 1.00 0.00 H new ATOM 1914 N LYS A 126 -6.628 -6.128 14.085 1.00 0.00 N ATOM 1915 CA LYS A 126 -5.679 -5.868 15.199 1.00 0.00 C ATOM 1916 C LYS A 126 -5.660 -4.362 15.463 1.00 0.00 C ATOM 1917 O LYS A 126 -5.463 -3.916 16.575 1.00 0.00 O ATOM 1918 CB LYS A 126 -4.279 -6.341 14.797 1.00 0.00 C ATOM 1919 CG LYS A 126 -3.333 -6.240 15.996 1.00 0.00 C ATOM 1920 CD LYS A 126 -2.004 -5.628 15.547 1.00 0.00 C ATOM 1921 CE LYS A 126 -1.011 -5.645 16.710 1.00 0.00 C ATOM 1922 NZ LYS A 126 -1.373 -4.577 17.684 1.00 0.00 N ATOM 0 H LYS A 126 -6.210 -6.126 13.154 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.987 -6.404 16.097 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.321 -7.370 14.441 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.903 -5.734 13.973 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -3.783 -5.627 16.777 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.164 -7.228 16.424 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -1.601 -6.188 14.703 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -2.161 -4.605 15.205 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.024 -6.619 17.200 1.00 0.00 H new ATOM 0 HE3 LYS A 126 0.002 -5.487 16.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.652 -4.530 18.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -1.422 -3.662 17.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.298 -4.793 18.108 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.880 -3.578 14.440 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.894 -2.101 14.621 1.00 0.00 C ATOM 1938 C LEU A 127 -7.196 -1.709 15.321 1.00 0.00 C ATOM 1939 O LEU A 127 -7.257 -0.735 16.043 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.816 -1.413 13.244 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.001 -0.114 13.328 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -5.603 0.812 14.387 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -3.542 -0.425 13.687 1.00 0.00 C ATOM 0 H LEU A 127 -6.050 -3.900 13.487 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.040 -1.788 15.222 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.359 -2.088 12.521 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.821 -1.194 12.884 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.031 0.380 12.357 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -5.020 1.731 14.441 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -6.632 1.051 14.119 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.587 0.315 15.357 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -2.975 0.504 13.743 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.505 -0.932 14.651 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.108 -1.069 12.922 1.00 0.00 H new ATOM 1955 N GLY A 128 -8.238 -2.474 15.120 1.00 0.00 N ATOM 1956 CA GLY A 128 -9.536 -2.154 15.779 1.00 0.00 C ATOM 1957 C GLY A 128 -9.840 -0.664 15.617 1.00 0.00 C ATOM 1958 O GLY A 128 -9.576 0.131 16.496 1.00 0.00 O ATOM 0 H GLY A 128 -8.245 -3.305 14.529 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -10.336 -2.749 15.338 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -9.492 -2.414 16.837 1.00 0.00 H new ATOM 1962 N MET A 129 -10.393 -0.279 14.500 1.00 0.00 N ATOM 1963 CA MET A 129 -10.712 1.160 14.287 1.00 0.00 C ATOM 1964 C MET A 129 -12.130 1.448 14.784 1.00 0.00 C ATOM 1965 O MET A 129 -13.065 1.079 14.095 1.00 0.00 O ATOM 1966 CB MET A 129 -10.618 1.488 12.794 1.00 0.00 C ATOM 1967 CG MET A 129 -9.511 2.518 12.561 1.00 0.00 C ATOM 1968 SD MET A 129 -9.907 4.055 13.438 1.00 0.00 S ATOM 1969 CE MET A 129 -11.396 4.487 12.504 1.00 0.00 C ATOM 1970 OXT MET A 129 -12.256 2.033 15.848 1.00 0.00 O ATOM 0 H MET A 129 -10.637 -0.898 13.727 1.00 0.00 H new ATOM 0 HA MET A 129 -10.002 1.775 14.840 1.00 0.00 H new ATOM 0 HB2 MET A 129 -10.410 0.582 12.225 1.00 0.00 H new ATOM 0 HB3 MET A 129 -11.571 1.877 12.437 1.00 0.00 H new ATOM 0 HG2 MET A 129 -8.556 2.125 12.911 1.00 0.00 H new ATOM 0 HG3 MET A 129 -9.403 2.715 11.494 1.00 0.00 H new ATOM 0 HE1 MET A 129 -11.526 5.569 12.507 1.00 0.00 H new ATOM 0 HE2 MET A 129 -11.295 4.137 11.477 1.00 0.00 H new ATOM 0 HE3 MET A 129 -12.264 4.016 12.965 1.00 0.00 H new