USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 726 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 66 LYS NZ :NH3+ 174:sc= 2.17 (180deg=1.34) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0.488 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -170:sc= 0.593 (180deg=-0.549) USER MOD Set 2.2: A 16 THR OG1 : rot 160:sc= 0.715 USER MOD Single : A 0 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -160:sc= -0.156 (180deg=-0.717) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 9 SER OG : rot -72:sc= 0.114 USER MOD Single : A -5 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc=-0.00406 K(o=-0.0041,f=-2.1) USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= 1.12 (180deg=-0.984) USER MOD Single : A 17 MET CE :methyl -120:sc= -2.12! (180deg=-4.74!) USER MOD Single : A 18 GLN : amide:sc= -0.756 K(o=-0.76,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -140:sc= -1.2 USER MOD Single : A 24 MET CE :methyl 171:sc= -0.378 (180deg=-0.533) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 73:sc= -0.22 USER MOD Single : A 31 MET CE :methyl 159:sc= -0.211 (180deg=-1.21) USER MOD Single : A 45 ASN : amide:sc= -0.0992 K(o=-0.099,f=-2.2!) USER MOD Single : A 52 SER OG : rot -103:sc= -0.645! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 130:sc= 0.941 USER MOD Single : A 72 MET CE :methyl -165:sc= -0.0613 (180deg=-0.418) USER MOD Single : A 75 ASN : amide:sc= -0.205 K(o=-0.2,f=-4.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 169:sc= -3.84! (180deg=-4.13!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.0499 (180deg=-0.307) USER MOD Single : A 84 LYS NZ :NH3+ 143:sc= 2.07 (180deg=1.13) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 26.006 4.259 -6.689 1.00 1.00 N ATOM 2 CA GLY A -5 26.185 2.883 -7.207 1.00 1.00 C ATOM 3 C GLY A -5 24.865 2.271 -7.621 1.00 1.00 C ATOM 4 O GLY A -5 24.081 2.894 -8.337 1.00 1.00 O ATOM 0 H1 GLY A -5 26.930 4.649 -6.414 1.00 1.00 H new ATOM 0 H2 GLY A -5 25.584 4.856 -7.428 1.00 1.00 H new ATOM 0 H3 GLY A -5 25.378 4.239 -5.860 1.00 1.00 H new ATOM 0 HA2 GLY A -5 26.863 2.900 -8.060 1.00 1.00 H new ATOM 0 HA3 GLY A -5 26.651 2.263 -6.441 1.00 1.00 H new ATOM 10 N ILE A -4 24.610 1.055 -7.161 1.00 1.00 N ATOM 11 CA ILE A -4 23.342 0.393 -7.425 1.00 1.00 C ATOM 12 C ILE A -4 22.345 0.762 -6.338 1.00 1.00 C ATOM 13 O ILE A -4 22.629 0.583 -5.152 1.00 1.00 O ATOM 14 CB ILE A -4 23.500 -1.145 -7.478 1.00 1.00 C ATOM 15 CG1 ILE A -4 24.450 -1.546 -8.611 1.00 1.00 C ATOM 16 CG2 ILE A -4 22.147 -1.825 -7.648 1.00 1.00 C ATOM 17 CD1 ILE A -4 23.974 -1.123 -9.984 1.00 1.00 C ATOM 0 H ILE A -4 25.265 0.507 -6.603 1.00 1.00 H new ATOM 0 HA ILE A -4 22.983 0.728 -8.398 1.00 1.00 H new ATOM 0 HB ILE A -4 23.928 -1.476 -6.532 1.00 1.00 H new ATOM 0 HG12 ILE A -4 25.430 -1.106 -8.424 1.00 1.00 H new ATOM 0 HG13 ILE A -4 24.579 -2.628 -8.599 1.00 1.00 H new ATOM 0 HG21 ILE A -4 22.285 -2.906 -7.683 1.00 1.00 H new ATOM 0 HG22 ILE A -4 21.502 -1.568 -6.807 1.00 1.00 H new ATOM 0 HG23 ILE A -4 21.685 -1.488 -8.576 1.00 1.00 H new ATOM 0 HD11 ILE A -4 24.698 -1.441 -10.734 1.00 1.00 H new ATOM 0 HD12 ILE A -4 23.009 -1.584 -10.192 1.00 1.00 H new ATOM 0 HD13 ILE A -4 23.872 -0.038 -10.016 1.00 1.00 H new ATOM 29 N ASP A -3 21.202 1.299 -6.745 1.00 1.00 N ATOM 30 CA ASP A -3 20.177 1.740 -5.804 1.00 1.00 C ATOM 31 C ASP A -3 19.684 0.580 -4.946 1.00 1.00 C ATOM 32 O ASP A -3 19.123 -0.391 -5.460 1.00 1.00 O ATOM 33 CB ASP A -3 19.002 2.378 -6.550 1.00 1.00 C ATOM 34 CG ASP A -3 17.953 2.934 -5.608 1.00 1.00 C ATOM 35 OD1 ASP A -3 18.236 3.946 -4.930 1.00 1.00 O ATOM 36 OD2 ASP A -3 16.842 2.368 -5.536 1.00 1.00 O ATOM 0 H ASP A -3 20.959 1.441 -7.726 1.00 1.00 H new ATOM 0 HA ASP A -3 20.625 2.486 -5.147 1.00 1.00 H new ATOM 0 HB2 ASP A -3 19.373 3.179 -7.190 1.00 1.00 H new ATOM 0 HB3 ASP A -3 18.543 1.635 -7.203 1.00 1.00 H new ATOM 41 N PRO A -2 19.905 0.664 -3.626 1.00 1.00 N ATOM 42 CA PRO A -2 19.500 -0.383 -2.690 1.00 1.00 C ATOM 43 C PRO A -2 17.986 -0.454 -2.530 1.00 1.00 C ATOM 44 O PRO A -2 17.330 0.554 -2.245 1.00 1.00 O ATOM 45 CB PRO A -2 20.164 0.029 -1.376 1.00 1.00 C ATOM 46 CG PRO A -2 20.354 1.503 -1.486 1.00 1.00 C ATOM 47 CD PRO A -2 20.578 1.787 -2.945 1.00 1.00 C ATOM 0 HA PRO A -2 19.798 -1.374 -3.032 1.00 1.00 H new ATOM 0 HB2 PRO A -2 19.538 -0.226 -0.521 1.00 1.00 H new ATOM 0 HB3 PRO A -2 21.116 -0.483 -1.238 1.00 1.00 H new ATOM 0 HG2 PRO A -2 19.479 2.037 -1.115 1.00 1.00 H new ATOM 0 HG3 PRO A -2 21.205 1.832 -0.890 1.00 1.00 H new ATOM 0 HD2 PRO A -2 20.151 2.746 -3.237 1.00 1.00 H new ATOM 0 HD3 PRO A -2 21.640 1.824 -3.188 1.00 1.00 H new ATOM 55 N PHE A -1 17.437 -1.647 -2.709 1.00 1.00 N ATOM 56 CA PHE A -1 15.999 -1.848 -2.634 1.00 1.00 C ATOM 57 C PHE A -1 15.641 -2.726 -1.439 1.00 1.00 C ATOM 58 O PHE A -1 14.565 -3.324 -1.397 1.00 1.00 O ATOM 59 CB PHE A -1 15.466 -2.456 -3.944 1.00 1.00 C ATOM 60 CG PHE A -1 16.111 -3.754 -4.350 1.00 1.00 C ATOM 61 CD1 PHE A -1 17.275 -3.757 -5.100 1.00 1.00 C ATOM 62 CD2 PHE A -1 15.547 -4.968 -3.991 1.00 1.00 C ATOM 63 CE1 PHE A -1 17.866 -4.946 -5.482 1.00 1.00 C ATOM 64 CE2 PHE A -1 16.132 -6.159 -4.371 1.00 1.00 C ATOM 65 CZ PHE A -1 17.294 -6.149 -5.117 1.00 1.00 C ATOM 0 H PHE A -1 17.970 -2.494 -2.908 1.00 1.00 H new ATOM 0 HA PHE A -1 15.523 -0.877 -2.495 1.00 1.00 H new ATOM 0 HB2 PHE A -1 14.393 -2.617 -3.842 1.00 1.00 H new ATOM 0 HB3 PHE A -1 15.605 -1.732 -4.746 1.00 1.00 H new ATOM 0 HD1 PHE A -1 17.726 -2.819 -5.390 1.00 1.00 H new ATOM 0 HD2 PHE A -1 14.639 -4.982 -3.407 1.00 1.00 H new ATOM 0 HE1 PHE A -1 18.775 -4.935 -6.066 1.00 1.00 H new ATOM 0 HE2 PHE A -1 15.681 -7.098 -4.085 1.00 1.00 H new ATOM 0 HZ PHE A -1 17.754 -7.080 -5.414 1.00 1.00 H new ATOM 75 N THR A 0 16.564 -2.802 -0.476 1.00 1.00 N ATOM 76 CA THR A 0 16.349 -3.524 0.781 1.00 1.00 C ATOM 77 C THR A 0 16.451 -5.047 0.597 1.00 1.00 C ATOM 78 O THR A 0 16.654 -5.781 1.568 1.00 1.00 O ATOM 79 CB THR A 0 14.986 -3.143 1.417 1.00 1.00 C ATOM 80 OG1 THR A 0 14.929 -1.724 1.631 1.00 1.00 O ATOM 81 CG2 THR A 0 14.762 -3.854 2.743 1.00 1.00 C ATOM 0 H THR A 0 17.482 -2.364 -0.546 1.00 1.00 H new ATOM 0 HA THR A 0 17.146 -3.222 1.461 1.00 1.00 H new ATOM 0 HB THR A 0 14.203 -3.454 0.725 1.00 1.00 H new ATOM 0 HG1 THR A 0 14.066 -1.488 2.031 1.00 1.00 H new ATOM 0 HG21 THR A 0 13.797 -3.560 3.155 1.00 1.00 H new ATOM 0 HG22 THR A 0 14.775 -4.932 2.584 1.00 1.00 H new ATOM 0 HG23 THR A 0 15.553 -3.580 3.441 1.00 1.00 H new ATOM 89 N MET A 1 16.353 -5.504 -0.654 1.00 1.00 N ATOM 90 CA MET A 1 16.352 -6.933 -0.989 1.00 1.00 C ATOM 91 C MET A 1 15.061 -7.588 -0.543 1.00 1.00 C ATOM 92 O MET A 1 14.184 -7.890 -1.355 1.00 1.00 O ATOM 93 CB MET A 1 17.564 -7.662 -0.392 1.00 1.00 C ATOM 94 CG MET A 1 18.892 -7.238 -0.997 1.00 1.00 C ATOM 95 SD MET A 1 20.298 -8.099 -0.263 1.00 1.00 S ATOM 96 CE MET A 1 20.196 -7.532 1.432 1.00 1.00 C ATOM 0 H MET A 1 16.272 -4.893 -1.466 1.00 1.00 H new ATOM 0 HA MET A 1 16.426 -7.012 -2.074 1.00 1.00 H new ATOM 0 HB2 MET A 1 17.591 -7.483 0.683 1.00 1.00 H new ATOM 0 HB3 MET A 1 17.437 -8.735 -0.533 1.00 1.00 H new ATOM 0 HG2 MET A 1 18.875 -7.428 -2.070 1.00 1.00 H new ATOM 0 HG3 MET A 1 19.020 -6.164 -0.865 1.00 1.00 H new ATOM 0 HE1 MET A 1 21.160 -7.673 1.921 1.00 1.00 H new ATOM 0 HE2 MET A 1 19.932 -6.474 1.447 1.00 1.00 H new ATOM 0 HE3 MET A 1 19.434 -8.103 1.962 1.00 1.00 H new ATOM 106 N VAL A 2 14.953 -7.787 0.745 1.00 1.00 N ATOM 107 CA VAL A 2 13.749 -8.337 1.346 1.00 1.00 C ATOM 108 C VAL A 2 12.740 -7.213 1.618 1.00 1.00 C ATOM 109 O VAL A 2 12.606 -6.705 2.735 1.00 1.00 O ATOM 110 CB VAL A 2 14.059 -9.153 2.633 1.00 1.00 C ATOM 111 CG1 VAL A 2 14.834 -8.329 3.655 1.00 1.00 C ATOM 112 CG2 VAL A 2 12.781 -9.714 3.245 1.00 1.00 C ATOM 0 H VAL A 2 15.693 -7.575 1.414 1.00 1.00 H new ATOM 0 HA VAL A 2 13.306 -9.038 0.638 1.00 1.00 H new ATOM 0 HB VAL A 2 14.694 -9.989 2.340 1.00 1.00 H new ATOM 0 HG11 VAL A 2 15.030 -8.936 4.539 1.00 1.00 H new ATOM 0 HG12 VAL A 2 15.780 -8.006 3.220 1.00 1.00 H new ATOM 0 HG13 VAL A 2 14.247 -7.455 3.938 1.00 1.00 H new ATOM 0 HG21 VAL A 2 13.026 -10.280 4.144 1.00 1.00 H new ATOM 0 HG22 VAL A 2 12.111 -8.894 3.504 1.00 1.00 H new ATOM 0 HG23 VAL A 2 12.290 -10.370 2.526 1.00 1.00 H new ATOM 122 N ALA A 3 12.062 -6.804 0.560 1.00 1.00 N ATOM 123 CA ALA A 3 11.104 -5.715 0.632 1.00 1.00 C ATOM 124 C ALA A 3 9.862 -6.062 -0.168 1.00 1.00 C ATOM 125 O ALA A 3 9.922 -6.856 -1.107 1.00 1.00 O ATOM 126 CB ALA A 3 11.727 -4.426 0.118 1.00 1.00 C ATOM 0 H ALA A 3 12.159 -7.215 -0.369 1.00 1.00 H new ATOM 0 HA ALA A 3 10.818 -5.566 1.673 1.00 1.00 H new ATOM 0 HB1 ALA A 3 10.996 -3.619 0.178 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.596 -4.175 0.726 1.00 1.00 H new ATOM 0 HB3 ALA A 3 12.035 -4.559 -0.919 1.00 1.00 H new ATOM 132 N LEU A 4 8.743 -5.465 0.195 1.00 1.00 N ATOM 133 CA LEU A 4 7.483 -5.764 -0.458 1.00 1.00 C ATOM 134 C LEU A 4 7.209 -4.750 -1.556 1.00 1.00 C ATOM 135 O LEU A 4 6.838 -3.610 -1.282 1.00 1.00 O ATOM 136 CB LEU A 4 6.337 -5.758 0.557 1.00 1.00 C ATOM 137 CG LEU A 4 6.528 -6.672 1.771 1.00 1.00 C ATOM 138 CD1 LEU A 4 5.253 -6.720 2.599 1.00 1.00 C ATOM 139 CD2 LEU A 4 6.938 -8.071 1.336 1.00 1.00 C ATOM 0 H LEU A 4 8.681 -4.770 0.939 1.00 1.00 H new ATOM 0 HA LEU A 4 7.551 -6.758 -0.900 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.194 -4.737 0.911 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.420 -6.049 0.045 1.00 1.00 H new ATOM 0 HG LEU A 4 7.328 -6.263 2.388 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.402 -7.373 3.459 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.005 -5.716 2.944 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.437 -7.105 1.988 1.00 1.00 H new ATOM 0 HD21 LEU A 4 7.068 -8.702 2.215 1.00 1.00 H new ATOM 0 HD22 LEU A 4 6.164 -8.495 0.696 1.00 1.00 H new ATOM 0 HD23 LEU A 4 7.877 -8.020 0.784 1.00 1.00 H new ATOM 151 N SER A 5 7.414 -5.154 -2.795 1.00 1.00 N ATOM 152 CA SER A 5 7.172 -4.267 -3.917 1.00 1.00 C ATOM 153 C SER A 5 5.771 -4.497 -4.471 1.00 1.00 C ATOM 154 O SER A 5 5.518 -5.471 -5.180 1.00 1.00 O ATOM 155 CB SER A 5 8.227 -4.497 -4.997 1.00 1.00 C ATOM 156 OG SER A 5 9.530 -4.442 -4.438 1.00 1.00 O ATOM 0 H SER A 5 7.745 -6.084 -3.049 1.00 1.00 H new ATOM 0 HA SER A 5 7.242 -3.233 -3.580 1.00 1.00 H new ATOM 0 HB2 SER A 5 8.068 -5.467 -5.469 1.00 1.00 H new ATOM 0 HB3 SER A 5 8.127 -3.743 -5.778 1.00 1.00 H new ATOM 0 HG SER A 5 10.195 -4.593 -5.142 1.00 1.00 H new ATOM 162 N LEU A 6 4.861 -3.602 -4.134 1.00 1.00 N ATOM 163 CA LEU A 6 3.482 -3.723 -4.569 1.00 1.00 C ATOM 164 C LEU A 6 3.117 -2.585 -5.498 1.00 1.00 C ATOM 165 O LEU A 6 3.691 -1.500 -5.433 1.00 1.00 O ATOM 166 CB LEU A 6 2.514 -3.730 -3.383 1.00 1.00 C ATOM 167 CG LEU A 6 2.421 -5.039 -2.593 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.626 -5.224 -1.688 1.00 1.00 C ATOM 169 CD2 LEU A 6 1.139 -5.069 -1.783 1.00 1.00 C ATOM 0 H LEU A 6 5.053 -2.782 -3.559 1.00 1.00 H new ATOM 0 HA LEU A 6 3.394 -4.673 -5.096 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.808 -2.936 -2.697 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.519 -3.481 -3.752 1.00 1.00 H new ATOM 0 HG LEU A 6 2.410 -5.865 -3.304 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.530 -6.162 -1.141 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.534 -5.247 -2.291 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.681 -4.396 -0.981 1.00 1.00 H new ATOM 0 HD21 LEU A 6 1.083 -6.004 -1.225 1.00 1.00 H new ATOM 0 HD22 LEU A 6 1.129 -4.230 -1.087 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.283 -4.995 -2.454 1.00 1.00 H new ATOM 181 N LYS A 7 2.155 -2.839 -6.353 1.00 1.00 N ATOM 182 CA LYS A 7 1.667 -1.829 -7.266 1.00 1.00 C ATOM 183 C LYS A 7 0.507 -1.086 -6.630 1.00 1.00 C ATOM 184 O LYS A 7 -0.583 -1.633 -6.468 1.00 1.00 O ATOM 185 CB LYS A 7 1.252 -2.465 -8.588 1.00 1.00 C ATOM 186 CG LYS A 7 2.428 -2.991 -9.390 1.00 1.00 C ATOM 187 CD LYS A 7 1.980 -3.595 -10.707 1.00 1.00 C ATOM 188 CE LYS A 7 3.164 -3.894 -11.610 1.00 1.00 C ATOM 189 NZ LYS A 7 3.908 -2.655 -11.965 1.00 1.00 N ATOM 0 H LYS A 7 1.691 -3.743 -6.437 1.00 1.00 H new ATOM 0 HA LYS A 7 2.464 -1.116 -7.475 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.560 -3.283 -8.389 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.713 -1.729 -9.185 1.00 1.00 H new ATOM 0 HG2 LYS A 7 3.131 -2.180 -9.581 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.960 -3.743 -8.807 1.00 1.00 H new ATOM 0 HD2 LYS A 7 1.424 -4.513 -10.518 1.00 1.00 H new ATOM 0 HD3 LYS A 7 1.300 -2.909 -11.211 1.00 1.00 H new ATOM 0 HE2 LYS A 7 3.836 -4.592 -11.111 1.00 1.00 H new ATOM 0 HE3 LYS A 7 2.815 -4.383 -12.520 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 4.601 -2.868 -12.711 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 3.240 -1.935 -12.308 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 4.404 -2.295 -11.125 1.00 1.00 H new ATOM 203 N ILE A 8 0.759 0.150 -6.244 1.00 1.00 N ATOM 204 CA ILE A 8 -0.232 0.951 -5.559 1.00 1.00 C ATOM 205 C ILE A 8 -1.024 1.784 -6.550 1.00 1.00 C ATOM 206 O ILE A 8 -0.486 2.682 -7.196 1.00 1.00 O ATOM 207 CB ILE A 8 0.412 1.877 -4.510 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.235 1.058 -3.513 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.659 2.682 -3.788 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.435 0.004 -2.777 1.00 1.00 C ATOM 0 H ILE A 8 1.650 0.623 -6.396 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.903 0.263 -5.045 1.00 1.00 H new ATOM 0 HB ILE A 8 1.080 2.572 -5.019 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.054 0.573 -4.044 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.683 1.734 -2.785 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.190 3.332 -3.050 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.207 3.288 -4.509 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.349 2.003 -3.287 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.088 -0.534 -2.089 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.368 0.482 -2.216 1.00 1.00 H new ATOM 0 HD13 ILE A 8 0.009 -0.696 -3.495 1.00 1.00 H new ATOM 222 N SER A 9 -2.299 1.475 -6.668 1.00 1.00 N ATOM 223 CA SER A 9 -3.164 2.183 -7.582 1.00 1.00 C ATOM 224 C SER A 9 -3.865 3.329 -6.868 1.00 1.00 C ATOM 225 O SER A 9 -4.825 3.120 -6.130 1.00 1.00 O ATOM 226 CB SER A 9 -4.196 1.222 -8.182 1.00 1.00 C ATOM 227 OG SER A 9 -4.989 1.860 -9.168 1.00 1.00 O ATOM 0 H SER A 9 -2.759 0.734 -6.138 1.00 1.00 H new ATOM 0 HA SER A 9 -2.557 2.596 -8.388 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.685 0.366 -8.623 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.839 0.836 -7.391 1.00 1.00 H new ATOM 0 HG SER A 9 -5.610 2.483 -8.736 1.00 1.00 H new ATOM 233 N ILE A 10 -3.363 4.535 -7.070 1.00 1.00 N ATOM 234 CA ILE A 10 -4.040 5.723 -6.591 1.00 1.00 C ATOM 235 C ILE A 10 -5.043 6.144 -7.648 1.00 1.00 C ATOM 236 O ILE A 10 -4.678 6.742 -8.665 1.00 1.00 O ATOM 237 CB ILE A 10 -3.058 6.881 -6.295 1.00 1.00 C ATOM 238 CG1 ILE A 10 -2.144 6.521 -5.123 1.00 1.00 C ATOM 239 CG2 ILE A 10 -3.818 8.168 -5.992 1.00 1.00 C ATOM 240 CD1 ILE A 10 -1.013 7.503 -4.916 1.00 1.00 C ATOM 0 H ILE A 10 -2.488 4.715 -7.563 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.537 5.491 -5.649 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.444 7.042 -7.182 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -2.739 6.467 -4.212 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -1.726 5.528 -5.290 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -3.109 8.970 -5.787 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.433 8.438 -6.851 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -4.457 8.017 -5.122 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -0.406 7.185 -4.069 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -0.394 7.540 -5.813 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -1.423 8.493 -4.717 1.00 1.00 H new ATOM 252 N GLY A 11 -6.293 5.782 -7.431 1.00 1.00 N ATOM 253 CA GLY A 11 -7.305 5.998 -8.436 1.00 1.00 C ATOM 254 C GLY A 11 -7.101 5.086 -9.625 1.00 1.00 C ATOM 255 O GLY A 11 -7.170 3.862 -9.499 1.00 1.00 O ATOM 0 H GLY A 11 -6.626 5.341 -6.574 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.291 5.823 -8.006 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.280 7.037 -8.763 1.00 1.00 H new ATOM 259 N ASN A 12 -6.823 5.678 -10.773 1.00 1.00 N ATOM 260 CA ASN A 12 -6.618 4.919 -11.997 1.00 1.00 C ATOM 261 C ASN A 12 -5.138 4.826 -12.350 1.00 1.00 C ATOM 262 O ASN A 12 -4.758 4.116 -13.280 1.00 1.00 O ATOM 263 CB ASN A 12 -7.389 5.559 -13.155 1.00 1.00 C ATOM 264 CG ASN A 12 -8.887 5.329 -13.067 1.00 1.00 C ATOM 265 OD1 ASN A 12 -9.446 5.161 -11.982 1.00 1.00 O ATOM 266 ND2 ASN A 12 -9.552 5.322 -14.209 1.00 1.00 N ATOM 0 H ASN A 12 -6.733 6.688 -10.885 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.993 3.909 -11.829 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -7.191 6.631 -13.168 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -7.019 5.155 -14.098 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -10.561 5.174 -14.211 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -9.056 5.465 -15.089 1.00 1.00 H new ATOM 273 N VAL A 13 -4.303 5.531 -11.599 1.00 1.00 N ATOM 274 CA VAL A 13 -2.876 5.573 -11.888 1.00 1.00 C ATOM 275 C VAL A 13 -2.103 4.743 -10.867 1.00 1.00 C ATOM 276 O VAL A 13 -2.258 4.930 -9.658 1.00 1.00 O ATOM 277 CB VAL A 13 -2.337 7.020 -11.893 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.924 7.062 -12.446 1.00 1.00 C ATOM 279 CG2 VAL A 13 -3.252 7.936 -12.692 1.00 1.00 C ATOM 0 H VAL A 13 -4.588 6.080 -10.788 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.733 5.153 -12.884 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.314 7.377 -10.863 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -0.562 8.090 -12.441 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.273 6.445 -11.827 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -0.922 6.681 -13.467 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -2.852 8.950 -12.681 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -3.314 7.581 -13.721 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -4.247 7.934 -12.247 1.00 1.00 H new ATOM 289 N VAL A 14 -1.272 3.835 -11.357 1.00 1.00 N ATOM 290 CA VAL A 14 -0.592 2.869 -10.502 1.00 1.00 C ATOM 291 C VAL A 14 0.901 3.178 -10.364 1.00 1.00 C ATOM 292 O VAL A 14 1.584 3.461 -11.349 1.00 1.00 O ATOM 293 CB VAL A 14 -0.758 1.436 -11.055 1.00 1.00 C ATOM 294 CG1 VAL A 14 -0.165 0.410 -10.103 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.224 1.129 -11.329 1.00 1.00 C ATOM 0 H VAL A 14 -1.050 3.746 -12.349 1.00 1.00 H new ATOM 0 HA VAL A 14 -1.055 2.942 -9.518 1.00 1.00 H new ATOM 0 HB VAL A 14 -0.213 1.376 -11.997 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.296 -0.590 -10.518 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.898 0.610 -9.968 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.671 0.472 -9.140 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.317 0.115 -11.718 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.793 1.216 -10.404 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.613 1.836 -12.062 1.00 1.00 H new ATOM 305 N LYS A 15 1.391 3.120 -9.130 1.00 1.00 N ATOM 306 CA LYS A 15 2.815 3.272 -8.841 1.00 1.00 C ATOM 307 C LYS A 15 3.351 2.013 -8.175 1.00 1.00 C ATOM 308 O LYS A 15 2.813 1.569 -7.163 1.00 1.00 O ATOM 309 CB LYS A 15 3.070 4.455 -7.899 1.00 1.00 C ATOM 310 CG LYS A 15 3.386 5.773 -8.588 1.00 1.00 C ATOM 311 CD LYS A 15 2.198 6.319 -9.353 1.00 1.00 C ATOM 312 CE LYS A 15 2.395 7.783 -9.708 1.00 1.00 C ATOM 313 NZ LYS A 15 1.268 8.303 -10.518 1.00 1.00 N ATOM 0 H LYS A 15 0.815 2.967 -8.303 1.00 1.00 H new ATOM 0 HA LYS A 15 3.322 3.450 -9.790 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.191 4.594 -7.269 1.00 1.00 H new ATOM 0 HB3 LYS A 15 3.899 4.201 -7.238 1.00 1.00 H new ATOM 0 HG2 LYS A 15 3.703 6.503 -7.843 1.00 1.00 H new ATOM 0 HG3 LYS A 15 4.223 5.632 -9.272 1.00 1.00 H new ATOM 0 HD2 LYS A 15 2.051 5.738 -10.264 1.00 1.00 H new ATOM 0 HD3 LYS A 15 1.294 6.206 -8.754 1.00 1.00 H new ATOM 0 HE2 LYS A 15 2.489 8.370 -8.795 1.00 1.00 H new ATOM 0 HE3 LYS A 15 3.327 7.902 -10.261 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 1.218 9.337 -10.419 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 1.417 8.057 -11.518 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 0.378 7.880 -10.186 1.00 1.00 H new ATOM 327 N THR A 16 4.403 1.439 -8.729 1.00 1.00 N ATOM 328 CA THR A 16 5.059 0.314 -8.090 1.00 1.00 C ATOM 329 C THR A 16 5.892 0.822 -6.916 1.00 1.00 C ATOM 330 O THR A 16 6.889 1.519 -7.106 1.00 1.00 O ATOM 331 CB THR A 16 5.954 -0.455 -9.079 1.00 1.00 C ATOM 332 OG1 THR A 16 5.193 -0.800 -10.249 1.00 1.00 O ATOM 333 CG2 THR A 16 6.506 -1.719 -8.437 1.00 1.00 C ATOM 0 H THR A 16 4.819 1.731 -9.614 1.00 1.00 H new ATOM 0 HA THR A 16 4.294 -0.376 -7.734 1.00 1.00 H new ATOM 0 HB THR A 16 6.791 0.184 -9.359 1.00 1.00 H new ATOM 0 HG1 THR A 16 5.803 -0.990 -10.992 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.135 -2.246 -9.154 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.098 -1.454 -7.561 1.00 1.00 H new ATOM 0 HG23 THR A 16 5.681 -2.364 -8.135 1.00 1.00 H new ATOM 341 N MET A 17 5.460 0.493 -5.711 1.00 1.00 N ATOM 342 CA MET A 17 6.070 1.027 -4.504 1.00 1.00 C ATOM 343 C MET A 17 6.761 -0.063 -3.700 1.00 1.00 C ATOM 344 O MET A 17 6.254 -1.178 -3.575 1.00 1.00 O ATOM 345 CB MET A 17 5.009 1.708 -3.641 1.00 1.00 C ATOM 346 CG MET A 17 4.487 3.011 -4.221 1.00 1.00 C ATOM 347 SD MET A 17 5.722 4.324 -4.189 1.00 1.00 S ATOM 348 CE MET A 17 6.072 4.398 -2.432 1.00 1.00 C ATOM 0 H MET A 17 4.683 -0.146 -5.541 1.00 1.00 H new ATOM 0 HA MET A 17 6.823 1.756 -4.805 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.173 1.023 -3.502 1.00 1.00 H new ATOM 0 HB3 MET A 17 5.428 1.903 -2.654 1.00 1.00 H new ATOM 0 HG2 MET A 17 4.165 2.844 -5.249 1.00 1.00 H new ATOM 0 HG3 MET A 17 3.609 3.329 -3.659 1.00 1.00 H new ATOM 0 HE1 MET A 17 5.837 5.394 -2.056 1.00 1.00 H new ATOM 0 HE2 MET A 17 5.464 3.660 -1.909 1.00 1.00 H new ATOM 0 HE3 MET A 17 7.127 4.185 -2.262 1.00 1.00 H new ATOM 358 N GLN A 18 7.918 0.272 -3.157 1.00 1.00 N ATOM 359 CA GLN A 18 8.674 -0.650 -2.327 1.00 1.00 C ATOM 360 C GLN A 18 8.418 -0.374 -0.852 1.00 1.00 C ATOM 361 O GLN A 18 8.793 0.677 -0.332 1.00 1.00 O ATOM 362 CB GLN A 18 10.165 -0.532 -2.631 1.00 1.00 C ATOM 363 CG GLN A 18 10.546 -1.030 -4.015 1.00 1.00 C ATOM 364 CD GLN A 18 11.963 -0.655 -4.403 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.275 -0.498 -5.585 1.00 1.00 O ATOM 366 NE2 GLN A 18 12.829 -0.501 -3.416 1.00 1.00 N ATOM 0 H GLN A 18 8.358 1.184 -3.277 1.00 1.00 H new ATOM 0 HA GLN A 18 8.346 -1.665 -2.552 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.465 0.511 -2.534 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.725 -1.095 -1.885 1.00 1.00 H new ATOM 0 HG2 GLN A 18 10.440 -2.114 -4.048 1.00 1.00 H new ATOM 0 HG3 GLN A 18 9.852 -0.619 -4.748 1.00 1.00 H new ATOM 0 HE21 GLN A 18 12.532 -0.640 -2.450 1.00 1.00 H new ATOM 0 HE22 GLN A 18 13.795 -0.243 -3.620 1.00 1.00 H new ATOM 375 N PHE A 19 7.759 -1.310 -0.193 1.00 1.00 N ATOM 376 CA PHE A 19 7.487 -1.204 1.230 1.00 1.00 C ATOM 377 C PHE A 19 8.327 -2.217 1.995 1.00 1.00 C ATOM 378 O PHE A 19 9.027 -3.033 1.396 1.00 1.00 O ATOM 379 CB PHE A 19 6.008 -1.468 1.517 1.00 1.00 C ATOM 380 CG PHE A 19 5.056 -0.528 0.834 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.802 0.726 1.364 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.402 -0.905 -0.330 1.00 1.00 C ATOM 383 CE1 PHE A 19 3.917 1.589 0.748 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.515 -0.047 -0.948 1.00 1.00 C ATOM 385 CZ PHE A 19 3.272 1.200 -0.409 1.00 1.00 C ATOM 0 H PHE A 19 7.399 -2.161 -0.626 1.00 1.00 H new ATOM 0 HA PHE A 19 7.740 -0.193 1.551 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.770 -2.488 1.214 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.845 -1.409 2.593 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.302 1.033 2.271 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.589 -1.879 -0.757 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.730 2.565 1.170 1.00 1.00 H new ATOM 0 HE2 PHE A 19 3.011 -0.351 -1.853 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.578 1.871 -0.892 1.00 1.00 H new ATOM 395 N GLU A 20 8.249 -2.170 3.313 1.00 1.00 N ATOM 396 CA GLU A 20 8.906 -3.158 4.149 1.00 1.00 C ATOM 397 C GLU A 20 7.848 -4.089 4.735 1.00 1.00 C ATOM 398 O GLU A 20 6.705 -3.679 4.931 1.00 1.00 O ATOM 399 CB GLU A 20 9.696 -2.473 5.268 1.00 1.00 C ATOM 400 CG GLU A 20 10.719 -1.464 4.768 1.00 1.00 C ATOM 401 CD GLU A 20 11.388 -0.706 5.896 1.00 1.00 C ATOM 402 OE1 GLU A 20 10.794 0.272 6.399 1.00 1.00 O ATOM 403 OE2 GLU A 20 12.511 -1.079 6.294 1.00 1.00 O ATOM 0 H GLU A 20 7.735 -1.455 3.829 1.00 1.00 H new ATOM 0 HA GLU A 20 9.609 -3.736 3.548 1.00 1.00 H new ATOM 0 HB2 GLU A 20 8.998 -1.968 5.936 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.208 -3.234 5.857 1.00 1.00 H new ATOM 0 HG2 GLU A 20 11.479 -1.982 4.182 1.00 1.00 H new ATOM 0 HG3 GLU A 20 10.229 -0.756 4.100 1.00 1.00 H new ATOM 410 N PRO A 21 8.195 -5.359 4.987 1.00 1.00 N ATOM 411 CA PRO A 21 7.261 -6.334 5.565 1.00 1.00 C ATOM 412 C PRO A 21 6.579 -5.826 6.833 1.00 1.00 C ATOM 413 O PRO A 21 5.359 -5.929 6.976 1.00 1.00 O ATOM 414 CB PRO A 21 8.156 -7.533 5.876 1.00 1.00 C ATOM 415 CG PRO A 21 9.263 -7.430 4.889 1.00 1.00 C ATOM 416 CD PRO A 21 9.510 -5.958 4.705 1.00 1.00 C ATOM 0 HA PRO A 21 6.439 -6.559 4.886 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.530 -7.495 6.899 1.00 1.00 H new ATOM 0 HB3 PRO A 21 7.614 -8.473 5.769 1.00 1.00 H new ATOM 0 HG2 PRO A 21 10.159 -7.935 5.251 1.00 1.00 H new ATOM 0 HG3 PRO A 21 8.991 -7.902 3.945 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.275 -5.590 5.388 1.00 1.00 H new ATOM 0 HD3 PRO A 21 9.848 -5.730 3.694 1.00 1.00 H new ATOM 424 N SER A 22 7.359 -5.252 7.737 1.00 1.00 N ATOM 425 CA SER A 22 6.827 -4.799 9.012 1.00 1.00 C ATOM 426 C SER A 22 6.211 -3.402 8.913 1.00 1.00 C ATOM 427 O SER A 22 5.787 -2.837 9.924 1.00 1.00 O ATOM 428 CB SER A 22 7.921 -4.828 10.074 1.00 1.00 C ATOM 429 OG SER A 22 8.445 -6.140 10.216 1.00 1.00 O ATOM 0 H SER A 22 8.358 -5.090 7.612 1.00 1.00 H new ATOM 0 HA SER A 22 6.028 -5.483 9.300 1.00 1.00 H new ATOM 0 HB2 SER A 22 8.720 -4.139 9.800 1.00 1.00 H new ATOM 0 HB3 SER A 22 7.519 -4.486 11.028 1.00 1.00 H new ATOM 0 HG SER A 22 9.147 -6.140 10.900 1.00 1.00 H new ATOM 435 N THR A 23 6.141 -2.854 7.704 1.00 1.00 N ATOM 436 CA THR A 23 5.486 -1.571 7.500 1.00 1.00 C ATOM 437 C THR A 23 3.988 -1.712 7.749 1.00 1.00 C ATOM 438 O THR A 23 3.314 -2.520 7.108 1.00 1.00 O ATOM 439 CB THR A 23 5.722 -1.019 6.078 1.00 1.00 C ATOM 440 OG1 THR A 23 7.124 -0.872 5.837 1.00 1.00 O ATOM 441 CG2 THR A 23 5.039 0.328 5.895 1.00 1.00 C ATOM 0 H THR A 23 6.527 -3.275 6.859 1.00 1.00 H new ATOM 0 HA THR A 23 5.920 -0.865 8.208 1.00 1.00 H new ATOM 0 HB THR A 23 5.297 -1.728 5.367 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.286 -0.042 5.342 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.221 0.694 4.885 1.00 1.00 H new ATOM 0 HG22 THR A 23 3.966 0.216 6.052 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.439 1.040 6.617 1.00 1.00 H new ATOM 449 N MET A 24 3.484 -0.949 8.704 1.00 1.00 N ATOM 450 CA MET A 24 2.073 -0.994 9.051 1.00 1.00 C ATOM 451 C MET A 24 1.252 -0.224 8.024 1.00 1.00 C ATOM 452 O MET A 24 1.766 0.675 7.363 1.00 1.00 O ATOM 453 CB MET A 24 1.858 -0.427 10.454 1.00 1.00 C ATOM 454 CG MET A 24 2.587 -1.214 11.535 1.00 1.00 C ATOM 455 SD MET A 24 2.437 -0.474 13.173 1.00 1.00 S ATOM 456 CE MET A 24 0.673 -0.599 13.454 1.00 1.00 C ATOM 0 H MET A 24 4.033 -0.289 9.255 1.00 1.00 H new ATOM 0 HA MET A 24 1.740 -2.032 9.045 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.197 0.609 10.476 1.00 1.00 H new ATOM 0 HB3 MET A 24 0.791 -0.419 10.676 1.00 1.00 H new ATOM 0 HG2 MET A 24 2.193 -2.230 11.564 1.00 1.00 H new ATOM 0 HG3 MET A 24 3.642 -1.289 11.272 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.449 -0.330 14.486 1.00 1.00 H new ATOM 0 HE2 MET A 24 0.148 0.079 12.781 1.00 1.00 H new ATOM 0 HE3 MET A 24 0.346 -1.622 13.266 1.00 1.00 H new ATOM 466 N VAL A 25 -0.017 -0.579 7.896 1.00 1.00 N ATOM 467 CA VAL A 25 -0.886 -0.002 6.874 1.00 1.00 C ATOM 468 C VAL A 25 -0.981 1.520 6.985 1.00 1.00 C ATOM 469 O VAL A 25 -0.869 2.222 5.980 1.00 1.00 O ATOM 470 CB VAL A 25 -2.296 -0.628 6.931 1.00 1.00 C ATOM 471 CG1 VAL A 25 -3.250 0.065 5.968 1.00 1.00 C ATOM 472 CG2 VAL A 25 -2.213 -2.115 6.622 1.00 1.00 C ATOM 0 H VAL A 25 -0.474 -1.270 8.491 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.433 -0.234 5.910 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.690 -0.493 7.938 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -4.234 -0.400 6.033 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.329 1.120 6.230 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.871 -0.028 4.950 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -3.211 -2.552 6.664 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.796 -2.257 5.625 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.572 -2.604 7.356 1.00 1.00 H new ATOM 482 N TYR A 26 -1.160 2.034 8.201 1.00 1.00 N ATOM 483 CA TYR A 26 -1.254 3.483 8.401 1.00 1.00 C ATOM 484 C TYR A 26 0.070 4.144 8.031 1.00 1.00 C ATOM 485 O TYR A 26 0.115 5.298 7.602 1.00 1.00 O ATOM 486 CB TYR A 26 -1.615 3.817 9.858 1.00 1.00 C ATOM 487 CG TYR A 26 -0.432 3.833 10.809 1.00 1.00 C ATOM 488 CD1 TYR A 26 0.124 2.654 11.288 1.00 1.00 C ATOM 489 CD2 TYR A 26 0.135 5.037 11.216 1.00 1.00 C ATOM 490 CE1 TYR A 26 1.209 2.674 12.145 1.00 1.00 C ATOM 491 CE2 TYR A 26 1.221 5.063 12.070 1.00 1.00 C ATOM 492 CZ TYR A 26 1.753 3.880 12.531 1.00 1.00 C ATOM 493 OH TYR A 26 2.840 3.901 13.376 1.00 1.00 O ATOM 0 H TYR A 26 -1.242 1.479 9.053 1.00 1.00 H new ATOM 0 HA TYR A 26 -2.045 3.866 7.756 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -2.100 4.793 9.885 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.343 3.089 10.215 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -0.298 1.707 10.986 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -0.281 5.967 10.858 1.00 1.00 H new ATOM 0 HE1 TYR A 26 1.628 1.748 12.510 1.00 1.00 H new ATOM 0 HE2 TYR A 26 1.650 6.006 12.374 1.00 1.00 H new ATOM 0 HH TYR A 26 3.102 4.829 13.549 1.00 1.00 H new ATOM 503 N ASP A 27 1.139 3.386 8.196 1.00 1.00 N ATOM 504 CA ASP A 27 2.488 3.881 7.960 1.00 1.00 C ATOM 505 C ASP A 27 2.820 3.832 6.474 1.00 1.00 C ATOM 506 O ASP A 27 3.478 4.722 5.941 1.00 1.00 O ATOM 507 CB ASP A 27 3.489 3.049 8.761 1.00 1.00 C ATOM 508 CG ASP A 27 4.863 3.675 8.815 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.068 4.584 9.648 1.00 1.00 O ATOM 510 OD2 ASP A 27 5.754 3.233 8.067 1.00 1.00 O ATOM 0 H ASP A 27 1.100 2.412 8.497 1.00 1.00 H new ATOM 0 HA ASP A 27 2.549 4.919 8.288 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.115 2.918 9.776 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.565 2.056 8.318 1.00 1.00 H new ATOM 515 N ALA A 28 2.342 2.790 5.808 1.00 1.00 N ATOM 516 CA ALA A 28 2.510 2.652 4.369 1.00 1.00 C ATOM 517 C ALA A 28 1.775 3.770 3.640 1.00 1.00 C ATOM 518 O ALA A 28 2.232 4.260 2.606 1.00 1.00 O ATOM 519 CB ALA A 28 2.014 1.291 3.909 1.00 1.00 C ATOM 0 H ALA A 28 1.831 2.023 6.246 1.00 1.00 H new ATOM 0 HA ALA A 28 3.571 2.729 4.131 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.146 1.201 2.831 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.583 0.508 4.410 1.00 1.00 H new ATOM 0 HB3 ALA A 28 0.957 1.186 4.156 1.00 1.00 H new ATOM 525 N CYS A 29 0.635 4.178 4.192 1.00 1.00 N ATOM 526 CA CYS A 29 -0.097 5.322 3.665 1.00 1.00 C ATOM 527 C CYS A 29 0.761 6.581 3.768 1.00 1.00 C ATOM 528 O CYS A 29 0.778 7.411 2.860 1.00 1.00 O ATOM 529 CB CYS A 29 -1.412 5.516 4.425 1.00 1.00 C ATOM 530 SG CYS A 29 -2.512 4.081 4.383 1.00 1.00 S ATOM 0 H CYS A 29 0.201 3.734 5.001 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.330 5.134 2.617 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -1.186 5.756 5.464 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -1.937 6.375 4.006 1.00 1.00 H new ATOM 0 HG CYS A 29 -2.035 3.146 5.149 1.00 1.00 H new ATOM 536 N ARG A 30 1.484 6.703 4.879 1.00 1.00 N ATOM 537 CA ARG A 30 2.415 7.809 5.086 1.00 1.00 C ATOM 538 C ARG A 30 3.484 7.814 3.995 1.00 1.00 C ATOM 539 O ARG A 30 3.821 8.866 3.448 1.00 1.00 O ATOM 540 CB ARG A 30 3.061 7.691 6.472 1.00 1.00 C ATOM 541 CG ARG A 30 4.246 8.617 6.693 1.00 1.00 C ATOM 542 CD ARG A 30 3.836 10.078 6.724 1.00 1.00 C ATOM 543 NE ARG A 30 4.999 10.957 6.751 1.00 1.00 N ATOM 544 CZ ARG A 30 5.082 12.081 7.458 1.00 1.00 C ATOM 545 NH1 ARG A 30 4.074 12.471 8.233 1.00 1.00 N ATOM 546 NH2 ARG A 30 6.184 12.812 7.398 1.00 1.00 N ATOM 0 H ARG A 30 1.442 6.043 5.656 1.00 1.00 H new ATOM 0 HA ARG A 30 1.867 8.750 5.032 1.00 1.00 H new ATOM 0 HB2 ARG A 30 2.306 7.899 7.230 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.387 6.662 6.621 1.00 1.00 H new ATOM 0 HG2 ARG A 30 4.736 8.359 7.632 1.00 1.00 H new ATOM 0 HG3 ARG A 30 4.977 8.464 5.899 1.00 1.00 H new ATOM 0 HD2 ARG A 30 3.227 10.305 5.849 1.00 1.00 H new ATOM 0 HD3 ARG A 30 3.216 10.265 7.601 1.00 1.00 H new ATOM 0 HE ARG A 30 5.807 10.691 6.188 1.00 1.00 H new ATOM 0 HH11 ARG A 30 3.226 11.907 8.290 1.00 1.00 H new ATOM 0 HH12 ARG A 30 4.149 13.335 8.771 1.00 1.00 H new ATOM 0 HH21 ARG A 30 6.963 12.513 6.812 1.00 1.00 H new ATOM 0 HH22 ARG A 30 6.254 13.675 7.938 1.00 1.00 H new ATOM 560 N MET A 31 3.998 6.630 3.678 1.00 1.00 N ATOM 561 CA MET A 31 4.993 6.479 2.621 1.00 1.00 C ATOM 562 C MET A 31 4.442 6.969 1.288 1.00 1.00 C ATOM 563 O MET A 31 5.103 7.722 0.574 1.00 1.00 O ATOM 564 CB MET A 31 5.433 5.017 2.492 1.00 1.00 C ATOM 565 CG MET A 31 6.185 4.492 3.702 1.00 1.00 C ATOM 566 SD MET A 31 6.709 2.777 3.501 1.00 1.00 S ATOM 567 CE MET A 31 7.742 2.905 2.043 1.00 1.00 C ATOM 0 H MET A 31 3.741 5.758 4.140 1.00 1.00 H new ATOM 0 HA MET A 31 5.859 7.084 2.890 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.553 4.396 2.326 1.00 1.00 H new ATOM 0 HB3 MET A 31 6.066 4.915 1.611 1.00 1.00 H new ATOM 0 HG2 MET A 31 7.060 5.117 3.881 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.549 4.573 4.584 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.421 2.054 2.003 1.00 1.00 H new ATOM 0 HE2 MET A 31 7.114 2.911 1.152 1.00 1.00 H new ATOM 0 HE3 MET A 31 8.320 3.828 2.086 1.00 1.00 H new ATOM 577 N ILE A 32 3.223 6.549 0.968 1.00 1.00 N ATOM 578 CA ILE A 32 2.576 6.945 -0.280 1.00 1.00 C ATOM 579 C ILE A 32 2.433 8.464 -0.373 1.00 1.00 C ATOM 580 O ILE A 32 2.626 9.044 -1.435 1.00 1.00 O ATOM 581 CB ILE A 32 1.189 6.270 -0.443 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.357 4.772 -0.696 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.392 6.914 -1.570 1.00 1.00 C ATOM 584 CD1 ILE A 32 2.132 4.464 -1.958 1.00 1.00 C ATOM 0 H ILE A 32 2.661 5.933 1.556 1.00 1.00 H new ATOM 0 HA ILE A 32 3.219 6.606 -1.092 1.00 1.00 H new ATOM 0 HB ILE A 32 0.632 6.411 0.483 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.867 4.321 0.155 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.373 4.308 -0.760 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.575 6.420 -1.660 1.00 1.00 H new ATOM 0 HG22 ILE A 32 0.240 7.971 -1.351 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.940 6.813 -2.507 1.00 1.00 H new ATOM 0 HD11 ILE A 32 2.216 3.384 -2.079 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.611 4.886 -2.817 1.00 1.00 H new ATOM 0 HD13 ILE A 32 3.129 4.900 -1.888 1.00 1.00 H new ATOM 596 N ARG A 33 2.134 9.098 0.748 1.00 1.00 N ATOM 597 CA ARG A 33 1.919 10.538 0.785 1.00 1.00 C ATOM 598 C ARG A 33 3.209 11.311 0.522 1.00 1.00 C ATOM 599 O ARG A 33 3.196 12.350 -0.136 1.00 1.00 O ATOM 600 CB ARG A 33 1.328 10.930 2.138 1.00 1.00 C ATOM 601 CG ARG A 33 -0.045 10.328 2.382 1.00 1.00 C ATOM 602 CD ARG A 33 -0.531 10.568 3.800 1.00 1.00 C ATOM 603 NE ARG A 33 -0.687 11.989 4.107 1.00 1.00 N ATOM 604 CZ ARG A 33 -1.736 12.719 3.738 1.00 1.00 C ATOM 605 NH1 ARG A 33 -2.688 12.183 2.985 1.00 1.00 N ATOM 606 NH2 ARG A 33 -1.820 13.990 4.111 1.00 1.00 N ATOM 0 H ARG A 33 2.034 8.636 1.652 1.00 1.00 H new ATOM 0 HA ARG A 33 1.220 10.799 -0.009 1.00 1.00 H new ATOM 0 HB2 ARG A 33 2.005 10.611 2.930 1.00 1.00 H new ATOM 0 HB3 ARG A 33 1.258 12.016 2.197 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -0.758 10.756 1.678 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -0.010 9.256 2.188 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -1.486 10.062 3.944 1.00 1.00 H new ATOM 0 HD3 ARG A 33 0.174 10.123 4.502 1.00 1.00 H new ATOM 0 HE ARG A 33 0.054 12.449 4.636 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -2.616 11.210 2.688 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -3.492 12.744 2.703 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -1.081 14.405 4.679 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -2.623 14.552 3.829 1.00 1.00 H new ATOM 620 N GLU A 34 4.323 10.810 1.040 1.00 1.00 N ATOM 621 CA GLU A 34 5.606 11.483 0.862 1.00 1.00 C ATOM 622 C GLU A 34 6.239 11.151 -0.488 1.00 1.00 C ATOM 623 O GLU A 34 6.933 11.979 -1.075 1.00 1.00 O ATOM 624 CB GLU A 34 6.562 11.136 2.003 1.00 1.00 C ATOM 625 CG GLU A 34 6.069 11.614 3.356 1.00 1.00 C ATOM 626 CD GLU A 34 7.119 11.494 4.438 1.00 1.00 C ATOM 627 OE1 GLU A 34 7.933 12.430 4.583 1.00 1.00 O ATOM 628 OE2 GLU A 34 7.126 10.476 5.159 1.00 1.00 O ATOM 0 H GLU A 34 4.366 9.947 1.583 1.00 1.00 H new ATOM 0 HA GLU A 34 5.415 12.556 0.880 1.00 1.00 H new ATOM 0 HB2 GLU A 34 6.704 10.056 2.035 1.00 1.00 H new ATOM 0 HB3 GLU A 34 7.537 11.579 1.800 1.00 1.00 H new ATOM 0 HG2 GLU A 34 5.754 12.654 3.276 1.00 1.00 H new ATOM 0 HG3 GLU A 34 5.191 11.036 3.643 1.00 1.00 H new ATOM 635 N ARG A 35 6.003 9.941 -0.976 1.00 1.00 N ATOM 636 CA ARG A 35 6.574 9.510 -2.249 1.00 1.00 C ATOM 637 C ARG A 35 5.726 9.989 -3.423 1.00 1.00 C ATOM 638 O ARG A 35 6.249 10.296 -4.497 1.00 1.00 O ATOM 639 CB ARG A 35 6.701 7.985 -2.287 1.00 1.00 C ATOM 640 CG ARG A 35 7.670 7.427 -1.255 1.00 1.00 C ATOM 641 CD ARG A 35 9.117 7.700 -1.629 1.00 1.00 C ATOM 642 NE ARG A 35 9.590 6.816 -2.695 1.00 1.00 N ATOM 643 CZ ARG A 35 10.747 6.977 -3.337 1.00 1.00 C ATOM 644 NH1 ARG A 35 11.476 8.067 -3.134 1.00 1.00 N ATOM 645 NH2 ARG A 35 11.149 6.064 -4.211 1.00 1.00 N ATOM 0 H ARG A 35 5.423 9.241 -0.513 1.00 1.00 H new ATOM 0 HA ARG A 35 7.565 9.954 -2.338 1.00 1.00 H new ATOM 0 HB2 ARG A 35 5.718 7.543 -2.126 1.00 1.00 H new ATOM 0 HB3 ARG A 35 7.028 7.681 -3.281 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.457 7.869 -0.282 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.517 6.352 -1.158 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.218 8.737 -1.948 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.748 7.574 -0.749 1.00 1.00 H new ATOM 0 HE ARG A 35 8.999 6.029 -2.963 1.00 1.00 H new ATOM 0 HH11 ARG A 35 11.151 8.784 -2.485 1.00 1.00 H new ATOM 0 HH12 ARG A 35 12.361 8.188 -3.627 1.00 1.00 H new ATOM 0 HH21 ARG A 35 10.573 5.241 -4.390 1.00 1.00 H new ATOM 0 HH22 ARG A 35 12.034 6.185 -4.704 1.00 1.00 H new ATOM 659 N ILE A 36 4.417 10.053 -3.212 1.00 1.00 N ATOM 660 CA ILE A 36 3.482 10.429 -4.263 1.00 1.00 C ATOM 661 C ILE A 36 2.586 11.572 -3.785 1.00 1.00 C ATOM 662 O ILE A 36 1.934 11.462 -2.748 1.00 1.00 O ATOM 663 CB ILE A 36 2.595 9.228 -4.672 1.00 1.00 C ATOM 664 CG1 ILE A 36 3.449 7.973 -4.878 1.00 1.00 C ATOM 665 CG2 ILE A 36 1.817 9.549 -5.942 1.00 1.00 C ATOM 666 CD1 ILE A 36 2.638 6.713 -5.088 1.00 1.00 C ATOM 0 H ILE A 36 3.977 9.847 -2.315 1.00 1.00 H new ATOM 0 HA ILE A 36 4.062 10.751 -5.128 1.00 1.00 H new ATOM 0 HB ILE A 36 1.886 9.037 -3.867 1.00 1.00 H new ATOM 0 HG12 ILE A 36 4.099 8.124 -5.740 1.00 1.00 H new ATOM 0 HG13 ILE A 36 4.096 7.838 -4.011 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.199 8.694 -6.216 1.00 1.00 H new ATOM 0 HG22 ILE A 36 1.181 10.417 -5.769 1.00 1.00 H new ATOM 0 HG23 ILE A 36 2.515 9.766 -6.751 1.00 1.00 H new ATOM 0 HD11 ILE A 36 3.310 5.866 -5.227 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.008 6.537 -4.216 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.011 6.827 -5.972 1.00 1.00 H new ATOM 678 N PRO A 37 2.518 12.676 -4.543 1.00 1.00 N ATOM 679 CA PRO A 37 1.738 13.859 -4.153 1.00 1.00 C ATOM 680 C PRO A 37 0.246 13.630 -4.339 1.00 1.00 C ATOM 681 O PRO A 37 -0.589 14.321 -3.754 1.00 1.00 O ATOM 682 CB PRO A 37 2.226 14.909 -5.143 1.00 1.00 C ATOM 683 CG PRO A 37 2.475 14.108 -6.363 1.00 1.00 C ATOM 684 CD PRO A 37 3.160 12.867 -5.859 1.00 1.00 C ATOM 0 HA PRO A 37 1.869 14.128 -3.105 1.00 1.00 H new ATOM 0 HB2 PRO A 37 1.479 15.685 -5.312 1.00 1.00 H new ATOM 0 HB3 PRO A 37 3.130 15.407 -4.793 1.00 1.00 H new ATOM 0 HG2 PRO A 37 1.545 13.868 -6.878 1.00 1.00 H new ATOM 0 HG3 PRO A 37 3.102 14.648 -7.073 1.00 1.00 H new ATOM 0 HD2 PRO A 37 2.999 12.015 -6.519 1.00 1.00 H new ATOM 0 HD3 PRO A 37 4.238 13.003 -5.771 1.00 1.00 H new ATOM 692 N GLU A 38 -0.074 12.640 -5.161 1.00 1.00 N ATOM 693 CA GLU A 38 -1.445 12.352 -5.523 1.00 1.00 C ATOM 694 C GLU A 38 -2.248 11.899 -4.302 1.00 1.00 C ATOM 695 O GLU A 38 -3.467 12.076 -4.236 1.00 1.00 O ATOM 696 CB GLU A 38 -1.486 11.281 -6.613 1.00 1.00 C ATOM 697 CG GLU A 38 -0.867 11.733 -7.927 1.00 1.00 C ATOM 698 CD GLU A 38 -0.771 10.617 -8.948 1.00 1.00 C ATOM 699 OE1 GLU A 38 -1.631 9.715 -8.935 1.00 1.00 O ATOM 700 OE2 GLU A 38 0.179 10.630 -9.760 1.00 1.00 O ATOM 0 H GLU A 38 0.611 12.019 -5.592 1.00 1.00 H new ATOM 0 HA GLU A 38 -1.898 13.266 -5.907 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -0.962 10.393 -6.259 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -2.522 10.991 -6.789 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -1.461 12.548 -8.341 1.00 1.00 H new ATOM 0 HG3 GLU A 38 0.130 12.130 -7.736 1.00 1.00 H new ATOM 707 N ALA A 39 -1.547 11.325 -3.328 1.00 1.00 N ATOM 708 CA ALA A 39 -2.169 10.852 -2.097 1.00 1.00 C ATOM 709 C ALA A 39 -2.485 12.005 -1.146 1.00 1.00 C ATOM 710 O ALA A 39 -3.166 11.822 -0.135 1.00 1.00 O ATOM 711 CB ALA A 39 -1.254 9.858 -1.410 1.00 1.00 C ATOM 0 H ALA A 39 -0.539 11.176 -3.370 1.00 1.00 H new ATOM 0 HA ALA A 39 -3.109 10.369 -2.361 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -1.723 9.507 -0.491 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -1.075 9.011 -2.072 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -0.306 10.340 -1.173 1.00 1.00 H new ATOM 717 N LEU A 40 -2.004 13.192 -1.481 1.00 1.00 N ATOM 718 CA LEU A 40 -2.161 14.356 -0.618 1.00 1.00 C ATOM 719 C LEU A 40 -3.428 15.130 -0.965 1.00 1.00 C ATOM 720 O LEU A 40 -3.568 16.303 -0.611 1.00 1.00 O ATOM 721 CB LEU A 40 -0.931 15.255 -0.734 1.00 1.00 C ATOM 722 CG LEU A 40 0.371 14.613 -0.253 1.00 1.00 C ATOM 723 CD1 LEU A 40 1.566 15.469 -0.628 1.00 1.00 C ATOM 724 CD2 LEU A 40 0.332 14.396 1.250 1.00 1.00 C ATOM 0 H LEU A 40 -1.499 13.377 -2.348 1.00 1.00 H new ATOM 0 HA LEU A 40 -2.255 14.014 0.413 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -0.811 15.553 -1.776 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.106 16.165 -0.160 1.00 1.00 H new ATOM 0 HG LEU A 40 0.474 13.646 -0.745 1.00 1.00 H new ATOM 0 HD11 LEU A 40 2.480 14.992 -0.275 1.00 1.00 H new ATOM 0 HD12 LEU A 40 1.609 15.579 -1.712 1.00 1.00 H new ATOM 0 HD13 LEU A 40 1.469 16.452 -0.167 1.00 1.00 H new ATOM 0 HD21 LEU A 40 1.266 13.938 1.576 1.00 1.00 H new ATOM 0 HD22 LEU A 40 0.203 15.354 1.753 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -0.501 13.739 1.501 1.00 1.00 H new ATOM 736 N ALA A 41 -4.351 14.465 -1.651 1.00 1.00 N ATOM 737 CA ALA A 41 -5.646 15.054 -1.967 1.00 1.00 C ATOM 738 C ALA A 41 -6.472 15.229 -0.696 1.00 1.00 C ATOM 739 O ALA A 41 -7.271 16.159 -0.574 1.00 1.00 O ATOM 740 CB ALA A 41 -6.390 14.185 -2.970 1.00 1.00 C ATOM 0 H ALA A 41 -4.225 13.515 -2.000 1.00 1.00 H new ATOM 0 HA ALA A 41 -5.484 16.036 -2.412 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -7.356 14.637 -3.197 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -5.804 14.102 -3.885 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -6.544 13.192 -2.547 1.00 1.00 H new ATOM 746 N GLY A 42 -6.254 14.330 0.250 1.00 1.00 N ATOM 747 CA GLY A 42 -6.938 14.388 1.524 1.00 1.00 C ATOM 748 C GLY A 42 -6.096 13.760 2.614 1.00 1.00 C ATOM 749 O GLY A 42 -4.964 13.354 2.347 1.00 1.00 O ATOM 0 H GLY A 42 -5.605 13.549 0.155 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.156 15.425 1.778 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.894 13.870 1.453 1.00 1.00 H new ATOM 753 N PRO A 43 -6.613 13.660 3.845 1.00 1.00 N ATOM 754 CA PRO A 43 -5.870 13.083 4.965 1.00 1.00 C ATOM 755 C PRO A 43 -5.754 11.578 4.867 1.00 1.00 C ATOM 756 O PRO A 43 -6.590 10.910 4.253 1.00 1.00 O ATOM 757 CB PRO A 43 -6.686 13.502 6.188 1.00 1.00 C ATOM 758 CG PRO A 43 -8.077 13.665 5.681 1.00 1.00 C ATOM 759 CD PRO A 43 -7.960 14.101 4.244 1.00 1.00 C ATOM 0 HA PRO A 43 -4.838 13.432 4.998 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -6.637 12.748 6.973 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -6.309 14.431 6.615 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -8.630 12.729 5.759 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -8.620 14.406 6.268 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -8.730 13.642 3.624 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -8.072 15.181 4.144 1.00 1.00 H new ATOM 767 N PRO A 44 -4.702 11.026 5.480 1.00 1.00 N ATOM 768 CA PRO A 44 -4.346 9.631 5.302 1.00 1.00 C ATOM 769 C PRO A 44 -5.433 8.669 5.779 1.00 1.00 C ATOM 770 O PRO A 44 -5.627 7.605 5.194 1.00 1.00 O ATOM 771 CB PRO A 44 -3.069 9.458 6.131 1.00 1.00 C ATOM 772 CG PRO A 44 -3.062 10.602 7.084 1.00 1.00 C ATOM 773 CD PRO A 44 -3.774 11.726 6.388 1.00 1.00 C ATOM 0 HA PRO A 44 -4.212 9.394 4.246 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.070 8.505 6.660 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.183 9.469 5.496 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -3.565 10.338 8.014 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -2.042 10.887 7.343 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -4.306 12.364 7.094 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -3.080 12.365 5.841 1.00 1.00 H new ATOM 781 N ASN A 45 -6.147 9.053 6.830 1.00 1.00 N ATOM 782 CA ASN A 45 -7.181 8.192 7.399 1.00 1.00 C ATOM 783 C ASN A 45 -8.479 8.294 6.607 1.00 1.00 C ATOM 784 O ASN A 45 -9.335 7.409 6.684 1.00 1.00 O ATOM 785 CB ASN A 45 -7.434 8.531 8.871 1.00 1.00 C ATOM 786 CG ASN A 45 -6.247 8.209 9.765 1.00 1.00 C ATOM 787 OD1 ASN A 45 -5.092 8.291 9.351 1.00 1.00 O ATOM 788 ND2 ASN A 45 -6.525 7.830 11.000 1.00 1.00 N ATOM 0 H ASN A 45 -6.032 9.949 7.304 1.00 1.00 H new ATOM 0 HA ASN A 45 -6.819 7.166 7.338 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -7.671 9.591 8.959 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -8.306 7.979 9.221 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -5.769 7.594 11.643 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -7.495 7.773 11.310 1.00 1.00 H new ATOM 795 N ASP A 46 -8.625 9.369 5.841 1.00 1.00 N ATOM 796 CA ASP A 46 -9.788 9.528 4.973 1.00 1.00 C ATOM 797 C ASP A 46 -9.617 8.642 3.750 1.00 1.00 C ATOM 798 O ASP A 46 -10.587 8.184 3.145 1.00 1.00 O ATOM 799 CB ASP A 46 -9.967 10.988 4.560 1.00 1.00 C ATOM 800 CG ASP A 46 -11.230 11.216 3.756 1.00 1.00 C ATOM 801 OD1 ASP A 46 -12.322 10.829 4.234 1.00 1.00 O ATOM 802 OD2 ASP A 46 -11.141 11.789 2.651 1.00 1.00 O ATOM 0 H ASP A 46 -7.958 10.140 5.802 1.00 1.00 H new ATOM 0 HA ASP A 46 -10.684 9.230 5.517 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -9.991 11.614 5.452 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -9.105 11.304 3.972 1.00 1.00 H new ATOM 807 N PHE A 47 -8.365 8.395 3.407 1.00 1.00 N ATOM 808 CA PHE A 47 -8.019 7.423 2.386 1.00 1.00 C ATOM 809 C PHE A 47 -7.721 6.086 3.053 1.00 1.00 C ATOM 810 O PHE A 47 -7.964 5.920 4.248 1.00 1.00 O ATOM 811 CB PHE A 47 -6.806 7.892 1.576 1.00 1.00 C ATOM 812 CG PHE A 47 -7.109 9.006 0.613 1.00 1.00 C ATOM 813 CD1 PHE A 47 -7.312 10.300 1.062 1.00 1.00 C ATOM 814 CD2 PHE A 47 -7.191 8.755 -0.747 1.00 1.00 C ATOM 815 CE1 PHE A 47 -7.590 11.319 0.175 1.00 1.00 C ATOM 816 CE2 PHE A 47 -7.469 9.772 -1.639 1.00 1.00 C ATOM 817 CZ PHE A 47 -7.669 11.056 -1.176 1.00 1.00 C ATOM 0 H PHE A 47 -7.561 8.862 3.828 1.00 1.00 H new ATOM 0 HA PHE A 47 -8.858 7.313 1.699 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -6.028 8.222 2.264 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.403 7.045 1.021 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -7.252 10.514 2.119 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -7.036 7.751 -1.114 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -7.746 12.324 0.539 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -7.530 9.563 -2.697 1.00 1.00 H new ATOM 0 HZ PHE A 47 -7.887 11.854 -1.871 1.00 1.00 H new ATOM 827 N GLY A 48 -7.226 5.132 2.290 1.00 1.00 N ATOM 828 CA GLY A 48 -6.846 3.863 2.866 1.00 1.00 C ATOM 829 C GLY A 48 -6.232 2.932 1.848 1.00 1.00 C ATOM 830 O GLY A 48 -6.236 3.222 0.649 1.00 1.00 O ATOM 0 H GLY A 48 -7.080 5.211 1.284 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -6.136 4.032 3.675 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.723 3.389 3.306 1.00 1.00 H new ATOM 834 N LEU A 49 -5.701 1.819 2.327 1.00 1.00 N ATOM 835 CA LEU A 49 -5.106 0.824 1.457 1.00 1.00 C ATOM 836 C LEU A 49 -6.095 -0.301 1.193 1.00 1.00 C ATOM 837 O LEU A 49 -6.512 -1.015 2.109 1.00 1.00 O ATOM 838 CB LEU A 49 -3.815 0.279 2.071 1.00 1.00 C ATOM 839 CG LEU A 49 -2.672 1.292 2.168 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.461 0.666 2.839 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.304 1.816 0.788 1.00 1.00 C ATOM 0 H LEU A 49 -5.671 1.583 3.319 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.857 1.294 0.506 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -4.035 -0.096 3.071 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.478 -0.572 1.478 1.00 1.00 H new ATOM 0 HG LEU A 49 -3.008 2.131 2.777 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.658 1.401 2.899 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.730 0.339 3.843 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -1.125 -0.192 2.256 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.490 2.535 0.877 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.988 0.986 0.156 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -3.171 2.303 0.341 1.00 1.00 H new ATOM 853 N PHE A 50 -6.474 -0.431 -0.064 1.00 1.00 N ATOM 854 CA PHE A 50 -7.449 -1.419 -0.487 1.00 1.00 C ATOM 855 C PHE A 50 -6.752 -2.535 -1.247 1.00 1.00 C ATOM 856 O PHE A 50 -6.252 -2.323 -2.352 1.00 1.00 O ATOM 857 CB PHE A 50 -8.510 -0.746 -1.368 1.00 1.00 C ATOM 858 CG PHE A 50 -9.552 -1.675 -1.923 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.650 -2.042 -1.163 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.439 -2.170 -3.212 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.614 -2.886 -1.678 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.400 -3.014 -3.733 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.489 -3.373 -2.965 1.00 1.00 C ATOM 0 H PHE A 50 -6.114 0.147 -0.823 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.939 -1.849 0.387 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -9.008 0.028 -0.785 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -8.009 -0.247 -2.198 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.753 -1.664 -0.157 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.589 -1.892 -3.817 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.465 -3.165 -1.075 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.299 -3.392 -4.740 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.242 -4.033 -3.369 1.00 1.00 H new ATOM 873 N LEU A 51 -6.692 -3.712 -0.646 1.00 1.00 N ATOM 874 CA LEU A 51 -6.038 -4.846 -1.274 1.00 1.00 C ATOM 875 C LEU A 51 -6.889 -5.371 -2.421 1.00 1.00 C ATOM 876 O LEU A 51 -7.875 -6.080 -2.205 1.00 1.00 O ATOM 877 CB LEU A 51 -5.774 -5.953 -0.250 1.00 1.00 C ATOM 878 CG LEU A 51 -5.123 -7.221 -0.813 1.00 1.00 C ATOM 879 CD1 LEU A 51 -3.817 -6.889 -1.519 1.00 1.00 C ATOM 880 CD2 LEU A 51 -4.888 -8.233 0.298 1.00 1.00 C ATOM 0 H LEU A 51 -7.088 -3.906 0.274 1.00 1.00 H new ATOM 0 HA LEU A 51 -5.078 -4.517 -1.672 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.133 -5.553 0.536 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.720 -6.226 0.218 1.00 1.00 H new ATOM 0 HG LEU A 51 -5.802 -7.660 -1.544 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.372 -7.804 -1.911 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -4.012 -6.200 -2.341 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -3.129 -6.425 -0.812 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.425 -9.128 -0.117 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -4.230 -7.800 1.051 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -5.841 -8.497 0.757 1.00 1.00 H new ATOM 892 N SER A 52 -6.508 -5.001 -3.632 1.00 1.00 N ATOM 893 CA SER A 52 -7.239 -5.388 -4.821 1.00 1.00 C ATOM 894 C SER A 52 -7.008 -6.861 -5.143 1.00 1.00 C ATOM 895 O SER A 52 -5.916 -7.399 -4.920 1.00 1.00 O ATOM 896 CB SER A 52 -6.803 -4.513 -5.996 1.00 1.00 C ATOM 897 OG SER A 52 -6.821 -3.142 -5.632 1.00 1.00 O ATOM 0 H SER A 52 -5.686 -4.426 -3.816 1.00 1.00 H new ATOM 0 HA SER A 52 -8.305 -5.245 -4.641 1.00 1.00 H new ATOM 0 HB2 SER A 52 -5.800 -4.797 -6.315 1.00 1.00 H new ATOM 0 HB3 SER A 52 -7.466 -4.678 -6.845 1.00 1.00 H new ATOM 0 HG SER A 52 -7.617 -2.714 -6.010 1.00 1.00 H new ATOM 903 N ASP A 53 -8.043 -7.507 -5.645 1.00 1.00 N ATOM 904 CA ASP A 53 -7.970 -8.908 -6.019 1.00 1.00 C ATOM 905 C ASP A 53 -8.629 -9.096 -7.379 1.00 1.00 C ATOM 906 O ASP A 53 -9.212 -8.151 -7.916 1.00 1.00 O ATOM 907 CB ASP A 53 -8.673 -9.759 -4.954 1.00 1.00 C ATOM 908 CG ASP A 53 -8.438 -11.245 -5.126 1.00 1.00 C ATOM 909 OD1 ASP A 53 -7.430 -11.756 -4.591 1.00 1.00 O ATOM 910 OD2 ASP A 53 -9.257 -11.911 -5.791 1.00 1.00 O ATOM 0 H ASP A 53 -8.955 -7.078 -5.805 1.00 1.00 H new ATOM 0 HA ASP A 53 -6.929 -9.225 -6.084 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.325 -9.455 -3.967 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -9.744 -9.561 -4.989 1.00 1.00 H new ATOM 915 N ASP A 54 -8.525 -10.292 -7.943 1.00 1.00 N ATOM 916 CA ASP A 54 -9.206 -10.605 -9.193 1.00 1.00 C ATOM 917 C ASP A 54 -10.713 -10.509 -8.996 1.00 1.00 C ATOM 918 O ASP A 54 -11.448 -10.074 -9.885 1.00 1.00 O ATOM 919 CB ASP A 54 -8.830 -12.008 -9.680 1.00 1.00 C ATOM 920 CG ASP A 54 -9.585 -12.407 -10.934 1.00 1.00 C ATOM 921 OD1 ASP A 54 -9.150 -12.031 -12.042 1.00 1.00 O ATOM 922 OD2 ASP A 54 -10.615 -13.103 -10.818 1.00 1.00 O ATOM 0 H ASP A 54 -7.977 -11.060 -7.556 1.00 1.00 H new ATOM 0 HA ASP A 54 -8.893 -9.884 -9.949 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -7.759 -12.046 -9.877 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -9.035 -12.731 -8.890 1.00 1.00 H new ATOM 927 N ASP A 55 -11.163 -10.905 -7.814 1.00 1.00 N ATOM 928 CA ASP A 55 -12.571 -10.821 -7.462 1.00 1.00 C ATOM 929 C ASP A 55 -12.827 -9.570 -6.623 1.00 1.00 C ATOM 930 O ASP A 55 -12.128 -9.320 -5.641 1.00 1.00 O ATOM 931 CB ASP A 55 -13.007 -12.073 -6.701 1.00 1.00 C ATOM 932 CG ASP A 55 -14.453 -12.007 -6.261 1.00 1.00 C ATOM 933 OD1 ASP A 55 -15.338 -12.426 -7.035 1.00 1.00 O ATOM 934 OD2 ASP A 55 -14.715 -11.537 -5.140 1.00 1.00 O ATOM 0 H ASP A 55 -10.569 -11.290 -7.080 1.00 1.00 H new ATOM 0 HA ASP A 55 -13.158 -10.755 -8.378 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -12.862 -12.948 -7.334 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -12.370 -12.204 -5.826 1.00 1.00 H new ATOM 939 N PRO A 56 -13.824 -8.760 -7.010 1.00 1.00 N ATOM 940 CA PRO A 56 -14.130 -7.490 -6.336 1.00 1.00 C ATOM 941 C PRO A 56 -14.584 -7.651 -4.880 1.00 1.00 C ATOM 942 O PRO A 56 -14.492 -6.709 -4.092 1.00 1.00 O ATOM 943 CB PRO A 56 -15.258 -6.891 -7.184 1.00 1.00 C ATOM 944 CG PRO A 56 -15.842 -8.040 -7.929 1.00 1.00 C ATOM 945 CD PRO A 56 -14.718 -9.008 -8.154 1.00 1.00 C ATOM 0 HA PRO A 56 -13.240 -6.865 -6.269 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -16.007 -6.407 -6.557 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -14.876 -6.132 -7.867 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -16.647 -8.504 -7.360 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -16.269 -7.713 -8.877 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -15.072 -10.039 -8.172 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -14.215 -8.827 -9.104 1.00 1.00 H new ATOM 953 N LYS A 57 -15.066 -8.833 -4.512 1.00 1.00 N ATOM 954 CA LYS A 57 -15.513 -9.066 -3.143 1.00 1.00 C ATOM 955 C LYS A 57 -14.326 -9.411 -2.256 1.00 1.00 C ATOM 956 O LYS A 57 -14.352 -9.186 -1.047 1.00 1.00 O ATOM 957 CB LYS A 57 -16.553 -10.187 -3.080 1.00 1.00 C ATOM 958 CG LYS A 57 -17.810 -9.899 -3.879 1.00 1.00 C ATOM 959 CD LYS A 57 -18.835 -11.010 -3.730 1.00 1.00 C ATOM 960 CE LYS A 57 -20.055 -10.757 -4.599 1.00 1.00 C ATOM 961 NZ LYS A 57 -21.117 -11.772 -4.384 1.00 1.00 N ATOM 0 H LYS A 57 -15.157 -9.636 -5.134 1.00 1.00 H new ATOM 0 HA LYS A 57 -15.980 -8.149 -2.783 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -16.103 -11.109 -3.448 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -16.826 -10.359 -2.039 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -18.244 -8.956 -3.547 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -17.553 -9.779 -4.931 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -18.383 -11.963 -4.003 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -19.140 -11.089 -2.686 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -20.453 -9.766 -4.383 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -19.759 -10.760 -5.648 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -21.930 -11.560 -4.997 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -20.747 -12.716 -4.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -21.420 -11.752 -3.389 1.00 1.00 H new ATOM 975 N LYS A 58 -13.281 -9.946 -2.875 1.00 1.00 N ATOM 976 CA LYS A 58 -12.068 -10.309 -2.157 1.00 1.00 C ATOM 977 C LYS A 58 -11.242 -9.068 -1.836 1.00 1.00 C ATOM 978 O LYS A 58 -10.307 -9.121 -1.035 1.00 1.00 O ATOM 979 CB LYS A 58 -11.242 -11.296 -2.981 1.00 1.00 C ATOM 980 CG LYS A 58 -11.977 -12.587 -3.290 1.00 1.00 C ATOM 981 CD LYS A 58 -12.322 -13.342 -2.021 1.00 1.00 C ATOM 982 CE LYS A 58 -13.160 -14.572 -2.313 1.00 1.00 C ATOM 983 NZ LYS A 58 -13.379 -15.388 -1.093 1.00 1.00 N ATOM 0 H LYS A 58 -13.250 -10.138 -3.876 1.00 1.00 H new ATOM 0 HA LYS A 58 -12.352 -10.785 -1.219 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -10.949 -10.820 -3.917 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -10.324 -11.529 -2.441 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -12.890 -12.365 -3.843 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -11.360 -13.215 -3.933 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -11.405 -13.639 -1.513 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -12.865 -12.684 -1.342 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -14.122 -14.268 -2.725 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -12.665 -15.178 -3.072 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -13.956 -16.220 -1.331 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -12.462 -15.699 -0.714 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -13.873 -14.817 -0.378 1.00 1.00 H new ATOM 997 N GLY A 59 -11.584 -7.958 -2.478 1.00 1.00 N ATOM 998 CA GLY A 59 -10.934 -6.698 -2.182 1.00 1.00 C ATOM 999 C GLY A 59 -11.266 -6.224 -0.785 1.00 1.00 C ATOM 1000 O GLY A 59 -12.436 -6.012 -0.456 1.00 1.00 O ATOM 0 H GLY A 59 -12.302 -7.909 -3.200 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -9.855 -6.810 -2.283 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -11.246 -5.946 -2.907 1.00 1.00 H new ATOM 1004 N ILE A 60 -10.248 -6.060 0.043 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.458 -5.730 1.445 1.00 1.00 C ATOM 1006 C ILE A 60 -9.675 -4.488 1.856 1.00 1.00 C ATOM 1007 O ILE A 60 -8.581 -4.232 1.348 1.00 1.00 O ATOM 1008 CB ILE A 60 -10.056 -6.902 2.370 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.597 -7.307 2.124 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -10.986 -8.090 2.164 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -8.096 -8.391 3.053 1.00 1.00 C ATOM 0 H ILE A 60 -9.269 -6.149 -0.229 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.524 -5.532 1.556 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.149 -6.571 3.404 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.494 -7.649 1.094 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -7.963 -6.427 2.233 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.687 -8.905 2.824 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.010 -7.795 2.393 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.928 -8.422 1.128 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -7.057 -8.622 2.816 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.165 -8.046 4.085 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.704 -9.287 2.928 1.00 1.00 H new ATOM 1023 N TRP A 61 -10.251 -3.718 2.767 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.558 -2.584 3.361 1.00 1.00 C ATOM 1025 C TRP A 61 -8.689 -3.066 4.512 1.00 1.00 C ATOM 1026 O TRP A 61 -9.173 -3.757 5.413 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.557 -1.545 3.864 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.306 -0.864 2.769 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.525 -1.215 2.285 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.888 0.282 2.023 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.902 -0.355 1.284 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.911 0.574 1.104 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.751 1.091 2.046 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.831 1.641 0.216 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.674 2.149 1.161 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.705 2.415 0.261 1.00 1.00 C ATOM 0 H TRP A 61 -11.200 -3.859 3.112 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.931 -2.118 2.600 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -11.268 -2.030 4.533 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -10.026 -0.796 4.451 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -13.113 -2.050 2.637 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.776 -0.400 0.760 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.948 0.894 2.741 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.628 1.850 -0.482 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.799 2.782 1.166 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.612 3.251 -0.416 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.415 -2.713 4.482 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.473 -3.197 5.482 1.00 1.00 C ATOM 1049 C LEU A 62 -6.573 -2.379 6.767 1.00 1.00 C ATOM 1050 O LEU A 62 -6.935 -1.200 6.735 1.00 1.00 O ATOM 1051 CB LEU A 62 -5.045 -3.143 4.937 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.834 -3.787 3.564 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -3.351 -3.865 3.245 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -5.469 -5.168 3.499 1.00 1.00 C ATOM 0 H LEU A 62 -7.008 -2.095 3.780 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.727 -4.232 5.712 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.737 -2.099 4.880 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.384 -3.632 5.653 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.323 -3.162 2.817 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -3.213 -4.325 2.266 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -2.927 -2.861 3.237 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -2.847 -4.466 4.002 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -5.302 -5.599 2.512 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -5.020 -5.811 4.256 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -6.540 -5.085 3.682 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.265 -3.011 7.894 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.311 -2.341 9.190 1.00 1.00 C ATOM 1068 C GLU A 63 -5.044 -1.524 9.421 1.00 1.00 C ATOM 1069 O GLU A 63 -3.937 -2.014 9.212 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.468 -3.359 10.323 1.00 1.00 C ATOM 1071 CG GLU A 63 -7.706 -4.233 10.208 1.00 1.00 C ATOM 1072 CD GLU A 63 -7.840 -5.194 11.372 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -7.242 -6.293 11.319 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -8.541 -4.854 12.347 1.00 1.00 O ATOM 0 H GLU A 63 -5.980 -3.989 7.937 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.173 -1.674 9.186 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.586 -3.999 10.346 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.500 -2.826 11.273 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.592 -3.600 10.158 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -7.665 -4.797 9.276 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.218 -0.287 9.872 1.00 1.00 N ATOM 1082 CA ALA A 64 -4.099 0.618 10.128 1.00 1.00 C ATOM 1083 C ALA A 64 -3.128 0.032 11.148 1.00 1.00 C ATOM 1084 O ALA A 64 -1.915 0.215 11.035 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.629 1.958 10.614 1.00 1.00 C ATOM 0 H ALA A 64 -6.133 0.117 10.070 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.552 0.758 9.196 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.794 2.632 10.805 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -5.278 2.390 9.852 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.196 1.813 11.534 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.668 -0.690 12.127 1.00 1.00 N ATOM 1092 CA GLY A 65 -2.847 -1.268 13.174 1.00 1.00 C ATOM 1093 C GLY A 65 -2.216 -2.589 12.771 1.00 1.00 C ATOM 1094 O GLY A 65 -1.655 -3.299 13.607 1.00 1.00 O ATOM 0 H GLY A 65 -4.666 -0.885 12.212 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.060 -0.563 13.443 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.457 -1.420 14.065 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.308 -2.927 11.495 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.708 -4.150 10.984 1.00 1.00 C ATOM 1100 C LYS A 66 -0.623 -3.815 9.970 1.00 1.00 C ATOM 1101 O LYS A 66 -0.630 -2.735 9.382 1.00 1.00 O ATOM 1102 CB LYS A 66 -2.777 -5.048 10.351 1.00 1.00 C ATOM 1103 CG LYS A 66 -3.878 -5.458 11.321 1.00 1.00 C ATOM 1104 CD LYS A 66 -3.326 -6.257 12.489 1.00 1.00 C ATOM 1105 CE LYS A 66 -4.372 -6.477 13.572 1.00 1.00 C ATOM 1106 NZ LYS A 66 -5.529 -7.287 13.100 1.00 1.00 N ATOM 0 H LYS A 66 -2.794 -2.370 10.792 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.255 -4.692 11.814 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.225 -4.526 9.505 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.300 -5.945 9.956 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.384 -4.568 11.695 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.625 -6.052 10.794 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -2.966 -7.222 12.131 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -2.469 -5.734 12.913 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -3.908 -6.976 14.423 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -4.731 -5.511 13.926 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -6.159 -7.492 13.901 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -6.052 -6.756 12.375 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -5.185 -8.180 12.694 1.00 1.00 H new ATOM 1120 N ALA A 67 0.317 -4.727 9.792 1.00 1.00 N ATOM 1121 CA ALA A 67 1.405 -4.530 8.844 1.00 1.00 C ATOM 1122 C ALA A 67 1.075 -5.169 7.502 1.00 1.00 C ATOM 1123 O ALA A 67 0.081 -5.878 7.369 1.00 1.00 O ATOM 1124 CB ALA A 67 2.701 -5.100 9.403 1.00 1.00 C ATOM 0 H ALA A 67 0.350 -5.615 10.293 1.00 1.00 H new ATOM 0 HA ALA A 67 1.534 -3.459 8.686 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.506 -4.946 8.684 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.947 -4.595 10.337 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.579 -6.167 9.588 1.00 1.00 H new ATOM 1130 N LEU A 68 1.907 -4.913 6.505 1.00 1.00 N ATOM 1131 CA LEU A 68 1.702 -5.477 5.177 1.00 1.00 C ATOM 1132 C LEU A 68 2.023 -6.972 5.169 1.00 1.00 C ATOM 1133 O LEU A 68 1.380 -7.754 4.463 1.00 1.00 O ATOM 1134 CB LEU A 68 2.560 -4.735 4.153 1.00 1.00 C ATOM 1135 CG LEU A 68 2.325 -3.223 4.089 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.160 -2.606 2.984 1.00 1.00 C ATOM 1137 CD2 LEU A 68 0.850 -2.909 3.883 1.00 1.00 C ATOM 0 H LEU A 68 2.731 -4.318 6.589 1.00 1.00 H new ATOM 0 HA LEU A 68 0.653 -5.356 4.906 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.610 -4.915 4.382 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.371 -5.159 3.167 1.00 1.00 H new ATOM 0 HG LEU A 68 2.632 -2.790 5.041 1.00 1.00 H new ATOM 0 HD11 LEU A 68 2.982 -1.531 2.951 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.216 -2.793 3.178 1.00 1.00 H new ATOM 0 HD13 LEU A 68 2.883 -3.049 2.028 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.710 -1.829 3.841 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.510 -3.355 2.948 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.272 -3.318 4.712 1.00 1.00 H new ATOM 1149 N ASP A 69 3.012 -7.365 5.969 1.00 1.00 N ATOM 1150 CA ASP A 69 3.373 -8.777 6.124 1.00 1.00 C ATOM 1151 C ASP A 69 2.215 -9.558 6.736 1.00 1.00 C ATOM 1152 O ASP A 69 2.047 -10.751 6.484 1.00 1.00 O ATOM 1153 CB ASP A 69 4.616 -8.914 7.006 1.00 1.00 C ATOM 1154 CG ASP A 69 4.974 -10.355 7.300 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.551 -11.023 6.416 1.00 1.00 O ATOM 1156 OD2 ASP A 69 4.692 -10.826 8.424 1.00 1.00 O ATOM 0 H ASP A 69 3.581 -6.725 6.523 1.00 1.00 H new ATOM 0 HA ASP A 69 3.592 -9.186 5.138 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.459 -8.428 6.515 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.448 -8.388 7.946 1.00 1.00 H new ATOM 1161 N TYR A 70 1.404 -8.857 7.518 1.00 1.00 N ATOM 1162 CA TYR A 70 0.228 -9.433 8.161 1.00 1.00 C ATOM 1163 C TYR A 70 -0.719 -10.016 7.121 1.00 1.00 C ATOM 1164 O TYR A 70 -1.394 -11.016 7.361 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.487 -8.342 8.950 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.678 -8.809 9.754 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -1.510 -9.410 10.995 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -2.970 -8.624 9.282 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -2.599 -9.816 11.740 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -4.063 -9.021 10.025 1.00 1.00 C ATOM 1171 CZ TYR A 70 -3.873 -9.618 11.252 1.00 1.00 C ATOM 1172 OH TYR A 70 -4.961 -9.998 12.003 1.00 1.00 O ATOM 0 H TYR A 70 1.543 -7.868 7.726 1.00 1.00 H new ATOM 0 HA TYR A 70 0.542 -10.235 8.829 1.00 1.00 H new ATOM 0 HB2 TYR A 70 0.229 -7.876 9.627 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -0.817 -7.570 8.255 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -0.513 -9.562 11.382 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -3.122 -8.162 8.318 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -2.453 -10.287 12.701 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -5.062 -8.864 9.647 1.00 1.00 H new ATOM 0 HH TYR A 70 -5.785 -9.788 11.515 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.752 -9.379 5.965 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.641 -9.778 4.888 1.00 1.00 C ATOM 1184 C TYR A 71 -0.886 -10.587 3.838 1.00 1.00 C ATOM 1185 O TYR A 71 -1.428 -10.905 2.780 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.262 -8.534 4.259 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.199 -7.792 5.184 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -4.528 -8.172 5.309 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -2.751 -6.711 5.933 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -5.385 -7.494 6.154 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -3.602 -6.029 6.780 1.00 1.00 C ATOM 1192 CZ TYR A 71 -4.917 -6.425 6.886 1.00 1.00 C ATOM 1193 OH TYR A 71 -5.770 -5.752 7.728 1.00 1.00 O ATOM 0 H TYR A 71 -0.166 -8.573 5.746 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.431 -10.410 5.293 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.465 -7.860 3.945 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.806 -8.825 3.360 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -4.898 -9.010 4.737 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -1.720 -6.399 5.851 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -6.417 -7.801 6.240 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -3.239 -5.190 7.356 1.00 1.00 H new ATOM 0 HH TYR A 71 -5.356 -5.666 8.612 1.00 1.00 H new ATOM 1203 N MET A 72 0.367 -10.918 4.154 1.00 1.00 N ATOM 1204 CA MET A 72 1.238 -11.679 3.255 1.00 1.00 C ATOM 1205 C MET A 72 1.360 -11.001 1.896 1.00 1.00 C ATOM 1206 O MET A 72 1.400 -11.664 0.857 1.00 1.00 O ATOM 1207 CB MET A 72 0.734 -13.116 3.088 1.00 1.00 C ATOM 1208 CG MET A 72 0.841 -13.947 4.355 1.00 1.00 C ATOM 1209 SD MET A 72 0.428 -15.683 4.085 1.00 1.00 S ATOM 1210 CE MET A 72 -1.276 -15.553 3.547 1.00 1.00 C ATOM 0 H MET A 72 0.807 -10.667 5.039 1.00 1.00 H new ATOM 0 HA MET A 72 2.228 -11.710 3.710 1.00 1.00 H new ATOM 0 HB2 MET A 72 -0.307 -13.092 2.765 1.00 1.00 H new ATOM 0 HB3 MET A 72 1.302 -13.602 2.295 1.00 1.00 H new ATOM 0 HG2 MET A 72 1.856 -13.876 4.747 1.00 1.00 H new ATOM 0 HG3 MET A 72 0.176 -13.533 5.113 1.00 1.00 H new ATOM 0 HE1 MET A 72 -1.749 -16.534 3.598 1.00 1.00 H new ATOM 0 HE2 MET A 72 -1.810 -14.858 4.195 1.00 1.00 H new ATOM 0 HE3 MET A 72 -1.307 -15.188 2.520 1.00 1.00 H new ATOM 1220 N LEU A 73 1.428 -9.679 1.910 1.00 1.00 N ATOM 1221 CA LEU A 73 1.602 -8.919 0.685 1.00 1.00 C ATOM 1222 C LEU A 73 3.002 -9.147 0.137 1.00 1.00 C ATOM 1223 O LEU A 73 3.979 -9.088 0.882 1.00 1.00 O ATOM 1224 CB LEU A 73 1.357 -7.433 0.943 1.00 1.00 C ATOM 1225 CG LEU A 73 -0.036 -7.098 1.478 1.00 1.00 C ATOM 1226 CD1 LEU A 73 -0.205 -5.598 1.644 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -1.107 -7.655 0.555 1.00 1.00 C ATOM 0 H LEU A 73 1.365 -9.112 2.756 1.00 1.00 H new ATOM 0 HA LEU A 73 0.876 -9.258 -0.054 1.00 1.00 H new ATOM 0 HB2 LEU A 73 2.101 -7.074 1.655 1.00 1.00 H new ATOM 0 HB3 LEU A 73 1.516 -6.886 0.014 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.146 -7.563 2.458 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -1.203 -5.384 2.026 1.00 1.00 H new ATOM 0 HD12 LEU A 73 0.540 -5.223 2.346 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.073 -5.108 0.679 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -2.092 -7.408 0.950 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.994 -7.219 -0.438 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -1.004 -8.738 0.490 1.00 1.00 H new ATOM 1239 N ARG A 74 3.096 -9.426 -1.153 1.00 1.00 N ATOM 1240 CA ARG A 74 4.367 -9.784 -1.765 1.00 1.00 C ATOM 1241 C ARG A 74 4.617 -8.937 -3.001 1.00 1.00 C ATOM 1242 O ARG A 74 3.716 -8.248 -3.486 1.00 1.00 O ATOM 1243 CB ARG A 74 4.376 -11.268 -2.144 1.00 1.00 C ATOM 1244 CG ARG A 74 4.210 -12.208 -0.961 1.00 1.00 C ATOM 1245 CD ARG A 74 4.002 -13.643 -1.416 1.00 1.00 C ATOM 1246 NE ARG A 74 3.808 -14.558 -0.292 1.00 1.00 N ATOM 1247 CZ ARG A 74 2.629 -15.088 0.041 1.00 1.00 C ATOM 1248 NH1 ARG A 74 1.534 -14.749 -0.626 1.00 1.00 N ATOM 1249 NH2 ARG A 74 2.551 -15.953 1.046 1.00 1.00 N ATOM 0 H ARG A 74 2.306 -9.412 -1.798 1.00 1.00 H new ATOM 0 HA ARG A 74 5.161 -9.597 -1.042 1.00 1.00 H new ATOM 0 HB2 ARG A 74 3.575 -11.455 -2.859 1.00 1.00 H new ATOM 0 HB3 ARG A 74 5.314 -11.498 -2.649 1.00 1.00 H new ATOM 0 HG2 ARG A 74 5.092 -12.151 -0.323 1.00 1.00 H new ATOM 0 HG3 ARG A 74 3.360 -11.889 -0.358 1.00 1.00 H new ATOM 0 HD2 ARG A 74 3.135 -13.691 -2.075 1.00 1.00 H new ATOM 0 HD3 ARG A 74 4.864 -13.966 -2.000 1.00 1.00 H new ATOM 0 HE ARG A 74 4.622 -14.806 0.271 1.00 1.00 H new ATOM 0 HH11 ARG A 74 1.592 -14.082 -1.395 1.00 1.00 H new ATOM 0 HH12 ARG A 74 0.634 -15.155 -0.370 1.00 1.00 H new ATOM 0 HH21 ARG A 74 3.392 -16.212 1.563 1.00 1.00 H new ATOM 0 HH22 ARG A 74 1.651 -16.358 1.301 1.00 1.00 H new ATOM 1263 N ASN A 75 5.839 -8.995 -3.508 1.00 1.00 N ATOM 1264 CA ASN A 75 6.199 -8.274 -4.716 1.00 1.00 C ATOM 1265 C ASN A 75 5.367 -8.757 -5.899 1.00 1.00 C ATOM 1266 O ASN A 75 5.317 -9.949 -6.202 1.00 1.00 O ATOM 1267 CB ASN A 75 7.702 -8.408 -5.015 1.00 1.00 C ATOM 1268 CG ASN A 75 8.172 -9.846 -5.185 1.00 1.00 C ATOM 1269 OD1 ASN A 75 7.645 -10.772 -4.565 1.00 1.00 O ATOM 1270 ND2 ASN A 75 9.175 -10.040 -6.025 1.00 1.00 N ATOM 0 H ASN A 75 6.600 -9.537 -3.098 1.00 1.00 H new ATOM 0 HA ASN A 75 5.984 -7.218 -4.554 1.00 1.00 H new ATOM 0 HB2 ASN A 75 7.933 -7.851 -5.923 1.00 1.00 H new ATOM 0 HB3 ASN A 75 8.266 -7.945 -4.205 1.00 1.00 H new ATOM 0 HD21 ASN A 75 9.538 -10.981 -6.177 1.00 1.00 H new ATOM 0 HD22 ASN A 75 9.586 -9.249 -6.520 1.00 1.00 H new ATOM 1277 N GLY A 76 4.679 -7.827 -6.539 1.00 1.00 N ATOM 1278 CA GLY A 76 3.839 -8.170 -7.668 1.00 1.00 C ATOM 1279 C GLY A 76 2.368 -7.949 -7.378 1.00 1.00 C ATOM 1280 O GLY A 76 1.556 -7.848 -8.299 1.00 1.00 O ATOM 0 H GLY A 76 4.686 -6.836 -6.297 1.00 1.00 H new ATOM 0 HA2 GLY A 76 4.131 -7.571 -8.531 1.00 1.00 H new ATOM 0 HA3 GLY A 76 4.002 -9.214 -7.935 1.00 1.00 H new ATOM 1284 N ASP A 77 2.021 -7.865 -6.098 1.00 1.00 N ATOM 1285 CA ASP A 77 0.634 -7.645 -5.697 1.00 1.00 C ATOM 1286 C ASP A 77 0.191 -6.231 -6.042 1.00 1.00 C ATOM 1287 O ASP A 77 1.018 -5.340 -6.242 1.00 1.00 O ATOM 1288 CB ASP A 77 0.442 -7.897 -4.196 1.00 1.00 C ATOM 1289 CG ASP A 77 0.261 -9.366 -3.863 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -0.856 -9.892 -4.066 1.00 1.00 O ATOM 1291 OD2 ASP A 77 1.230 -10.003 -3.399 1.00 1.00 O ATOM 0 H ASP A 77 2.678 -7.945 -5.322 1.00 1.00 H new ATOM 0 HA ASP A 77 0.018 -8.355 -6.248 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.305 -7.510 -3.654 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.428 -7.341 -3.848 1.00 1.00 H new ATOM 1296 N THR A 78 -1.111 -6.029 -6.113 1.00 1.00 N ATOM 1297 CA THR A 78 -1.666 -4.734 -6.457 1.00 1.00 C ATOM 1298 C THR A 78 -2.613 -4.253 -5.362 1.00 1.00 C ATOM 1299 O THR A 78 -3.548 -4.957 -4.978 1.00 1.00 O ATOM 1300 CB THR A 78 -2.408 -4.798 -7.806 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.535 -5.344 -8.804 1.00 1.00 O ATOM 1302 CG2 THR A 78 -2.879 -3.417 -8.244 1.00 1.00 C ATOM 0 H THR A 78 -1.809 -6.752 -5.935 1.00 1.00 H new ATOM 0 HA THR A 78 -0.843 -4.026 -6.548 1.00 1.00 H new ATOM 0 HB THR A 78 -3.285 -5.435 -7.685 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.006 -5.387 -9.662 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.399 -3.496 -9.199 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.557 -3.009 -7.494 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.019 -2.757 -8.353 1.00 1.00 H new ATOM 1310 N MET A 79 -2.352 -3.063 -4.849 1.00 1.00 N ATOM 1311 CA MET A 79 -3.171 -2.489 -3.799 1.00 1.00 C ATOM 1312 C MET A 79 -3.547 -1.069 -4.164 1.00 1.00 C ATOM 1313 O MET A 79 -2.702 -0.289 -4.591 1.00 1.00 O ATOM 1314 CB MET A 79 -2.418 -2.498 -2.474 1.00 1.00 C ATOM 1315 CG MET A 79 -3.293 -2.190 -1.272 1.00 1.00 C ATOM 1316 SD MET A 79 -2.491 -2.602 0.284 1.00 1.00 S ATOM 1317 CE MET A 79 -0.992 -1.641 0.143 1.00 1.00 C ATOM 0 H MET A 79 -1.574 -2.474 -5.146 1.00 1.00 H new ATOM 0 HA MET A 79 -4.076 -3.088 -3.692 1.00 1.00 H new ATOM 0 HB2 MET A 79 -1.957 -3.476 -2.335 1.00 1.00 H new ATOM 0 HB3 MET A 79 -1.610 -1.768 -2.521 1.00 1.00 H new ATOM 0 HG2 MET A 79 -3.551 -1.131 -1.275 1.00 1.00 H new ATOM 0 HG3 MET A 79 -4.227 -2.746 -1.354 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.476 -1.629 1.103 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.344 -2.086 -0.612 1.00 1.00 H new ATOM 0 HE3 MET A 79 -1.240 -0.620 -0.148 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.803 -0.735 -4.000 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.275 0.588 -4.336 1.00 1.00 C ATOM 1329 C GLU A 80 -5.234 1.514 -3.136 1.00 1.00 C ATOM 1330 O GLU A 80 -5.959 1.318 -2.161 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.697 0.528 -4.874 1.00 1.00 C ATOM 1332 CG GLU A 80 -6.812 -0.141 -6.224 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.248 -0.272 -6.664 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -8.843 0.749 -7.069 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.797 -1.389 -6.579 1.00 1.00 O ATOM 0 H GLU A 80 -5.520 -1.362 -3.635 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.610 0.983 -5.104 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.323 -0.007 -4.160 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.091 1.542 -4.947 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -6.256 0.435 -6.964 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.354 -1.129 -6.180 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.361 2.504 -3.191 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.459 3.624 -2.274 1.00 1.00 C ATOM 1344 C TYR A 81 -5.604 4.508 -2.750 1.00 1.00 C ATOM 1345 O TYR A 81 -5.468 5.243 -3.727 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.155 4.430 -2.231 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.135 5.521 -1.180 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -3.732 6.753 -1.413 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -2.522 5.316 0.049 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -3.719 7.746 -0.455 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -2.503 6.305 1.015 1.00 1.00 C ATOM 1352 CZ TYR A 81 -3.104 7.519 0.758 1.00 1.00 C ATOM 1353 OH TYR A 81 -3.095 8.511 1.718 1.00 1.00 O ATOM 0 H TYR A 81 -3.586 2.556 -3.852 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.642 3.256 -1.264 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.325 3.748 -2.047 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -2.986 4.880 -3.209 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -4.215 6.937 -2.361 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -2.051 4.366 0.254 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -4.189 8.698 -0.655 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -2.020 6.128 1.965 1.00 1.00 H new ATOM 0 HH TYR A 81 -2.623 8.191 2.515 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.733 4.418 -2.073 1.00 1.00 N ATOM 1364 CA ARG A 82 -7.933 5.124 -2.496 1.00 1.00 C ATOM 1365 C ARG A 82 -8.715 5.608 -1.287 1.00 1.00 C ATOM 1366 O ARG A 82 -8.468 5.167 -0.166 1.00 1.00 O ATOM 1367 CB ARG A 82 -8.796 4.219 -3.388 1.00 1.00 C ATOM 1368 CG ARG A 82 -9.052 2.835 -2.809 1.00 1.00 C ATOM 1369 CD ARG A 82 -9.704 1.906 -3.826 1.00 1.00 C ATOM 1370 NE ARG A 82 -11.100 2.249 -4.099 1.00 1.00 N ATOM 1371 CZ ARG A 82 -11.839 1.676 -5.054 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -11.286 0.838 -5.922 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -13.130 1.964 -5.161 1.00 1.00 N ATOM 0 H ARG A 82 -6.847 3.862 -1.225 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.642 5.997 -3.080 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -9.753 4.709 -3.566 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -8.308 4.111 -4.357 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.110 2.402 -2.473 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.694 2.921 -1.932 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -9.138 1.941 -4.757 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -9.652 0.881 -3.459 1.00 1.00 H new ATOM 0 HE ARG A 82 -11.536 2.970 -3.525 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -10.290 0.627 -5.863 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -11.857 0.405 -6.648 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -13.561 2.624 -4.514 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -13.692 1.525 -5.891 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.646 6.519 -1.513 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.406 7.116 -0.427 1.00 1.00 C ATOM 1389 C LYS A 83 -11.434 6.131 0.105 1.00 1.00 C ATOM 1390 O LYS A 83 -12.245 5.601 -0.652 1.00 1.00 O ATOM 1391 CB LYS A 83 -11.101 8.391 -0.901 1.00 1.00 C ATOM 1392 CG LYS A 83 -11.911 9.076 0.185 1.00 1.00 C ATOM 1393 CD LYS A 83 -12.651 10.288 -0.349 1.00 1.00 C ATOM 1394 CE LYS A 83 -13.451 10.971 0.745 1.00 1.00 C ATOM 1395 NZ LYS A 83 -14.480 10.068 1.327 1.00 1.00 N ATOM 0 H LYS A 83 -9.895 6.862 -2.441 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.715 7.370 0.376 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -10.351 9.086 -1.277 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.758 8.149 -1.736 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.626 8.369 0.607 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.249 9.381 0.995 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -11.938 10.993 -0.776 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -13.319 9.983 -1.155 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.776 11.307 1.532 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -13.935 11.859 0.340 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -15.153 10.626 1.891 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -14.989 9.583 0.561 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -14.018 9.363 1.937 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.406 5.883 1.404 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.360 4.971 2.003 1.00 1.00 C ATOM 1411 C LYS A 84 -13.684 5.688 2.236 1.00 1.00 C ATOM 1412 O LYS A 84 -13.701 6.868 2.608 1.00 1.00 O ATOM 1413 CB LYS A 84 -11.830 4.383 3.317 1.00 1.00 C ATOM 1414 CG LYS A 84 -11.502 5.419 4.383 1.00 1.00 C ATOM 1415 CD LYS A 84 -11.456 4.793 5.769 1.00 1.00 C ATOM 1416 CE LYS A 84 -10.271 3.855 5.942 1.00 1.00 C ATOM 1417 NZ LYS A 84 -9.031 4.592 6.306 1.00 1.00 N ATOM 0 H LYS A 84 -10.740 6.297 2.056 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.516 4.142 1.313 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -12.571 3.691 3.716 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -10.933 3.801 3.105 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.541 5.882 4.159 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -12.250 6.212 4.365 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -11.404 5.582 6.520 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -12.380 4.243 5.947 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -10.498 3.121 6.716 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -10.107 3.302 5.017 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -8.478 4.028 6.982 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -8.464 4.761 5.451 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -9.283 5.503 6.740 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.779 4.971 1.998 1.00 1.00 N ATOM 1432 CA GLN A 85 -16.126 5.498 2.195 1.00 1.00 C ATOM 1433 C GLN A 85 -16.379 6.711 1.299 1.00 1.00 C ATOM 1434 O GLN A 85 -16.325 7.858 1.797 1.00 1.00 O ATOM 1435 CB GLN A 85 -16.346 5.855 3.667 1.00 1.00 C ATOM 1436 CG GLN A 85 -16.066 4.698 4.612 1.00 1.00 C ATOM 1437 CD GLN A 85 -16.255 5.070 6.065 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -15.326 5.536 6.726 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -17.457 4.862 6.575 1.00 1.00 N ATOM 1440 OXT GLN A 85 -16.627 6.510 0.092 1.00 1.00 O ATOM 0 H GLN A 85 -14.757 4.008 1.663 1.00 1.00 H new ATOM 0 HA GLN A 85 -16.840 4.724 1.915 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -15.703 6.695 3.931 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -17.375 6.187 3.804 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -16.726 3.866 4.366 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -15.044 4.350 4.461 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -18.198 4.474 5.992 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -17.643 5.090 7.552 1.00 1.00 H new TER 1449 GLN A 85