USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 610 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 74 GLN :FLIP amide:sc= -2.51! C(o=-3.2!,f=-0.4!) USER MOD Set 1.2: A 107 LYS NZ :NH3+ -153:sc= 2.11 (180deg=0.641) USER MOD Set 2.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 93 GLN : amide:sc= -0.0205 X(o=-0.02,f=-0.077) USER MOD Single : A 37 CYS SG : rot 180:sc= 0.0916 USER MOD Single : A 40 GLN :FLIP amide:sc= -1.36 F(o=-4!,f=-1.4) USER MOD Single : A 45 ASN : amide:sc= -1.71 X(o=-1.7,f=-1.8!) USER MOD Single : A 50 ASN : amide:sc= -1.9 K(o=-1.9,f=-9.9!) USER MOD Single : A 52 LYS NZ :NH3+ -127:sc= 0.456 (180deg=-0.892) USER MOD Single : A 53 LYS NZ :NH3+ 159:sc= -0.105 (180deg=-0.48) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot 47:sc= -0.453 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -7.42! C(o=-7.4!,f=-8.5!) USER MOD Single : A 69 CYS SG : rot 7:sc= -9.35! USER MOD Single : A 71 GLN : amide:sc= -0.173 X(o=-0.17,f=-0.32) USER MOD Single : A 80 SER OG : rot -80:sc= 1.25 USER MOD Single : A 84 GLN : amide:sc= -8.82! C(o=-8.8!,f=-9.7!) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0494) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.916 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 137:sc= 0.917 USER MOD Single : A 97 GLN : amide:sc= -0.736 K(o=-0.74,f=-1.6!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -9.6! C(o=-9.6!,f=-17!) USER MOD Single : A 115 LYS NZ :NH3+ -116:sc= 1.32 (180deg=-0.226) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N GLU A 36 2.985 6.947 -4.649 1.00 0.00 N ATOM 31 CA GLU A 36 4.124 6.074 -4.423 1.00 0.00 C ATOM 32 C GLU A 36 3.677 4.648 -4.121 1.00 0.00 C ATOM 33 O GLU A 36 3.468 4.277 -2.969 1.00 0.00 O ATOM 34 CB GLU A 36 4.977 6.645 -3.297 1.00 0.00 C ATOM 35 CG GLU A 36 5.496 8.040 -3.613 1.00 0.00 C ATOM 36 CD GLU A 36 6.298 8.644 -2.484 1.00 0.00 C ATOM 37 OE1 GLU A 36 5.688 9.113 -1.502 1.00 0.00 O ATOM 38 OE2 GLU A 36 7.543 8.670 -2.582 1.00 0.00 O ATOM 0 HA GLU A 36 4.725 6.027 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.389 6.678 -2.380 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.820 5.980 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.116 7.996 -4.508 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.653 8.692 -3.841 1.00 0.00 H new ATOM 45 N CYS A 37 3.518 3.863 -5.176 1.00 0.00 N ATOM 46 CA CYS A 37 3.095 2.479 -5.056 1.00 0.00 C ATOM 47 C CYS A 37 4.273 1.570 -4.728 1.00 0.00 C ATOM 48 O CYS A 37 5.404 1.820 -5.148 1.00 0.00 O ATOM 49 CB CYS A 37 2.428 2.023 -6.354 1.00 0.00 C ATOM 50 SG CYS A 37 3.454 2.253 -7.824 1.00 0.00 S ATOM 0 H CYS A 37 3.678 4.168 -6.136 1.00 0.00 H new ATOM 0 HA CYS A 37 2.378 2.413 -4.238 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.167 0.968 -6.266 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.495 2.572 -6.484 1.00 0.00 H new ATOM 0 HG CYS A 37 2.809 1.837 -8.873 1.00 0.00 H new ATOM 56 N VAL A 38 3.995 0.522 -3.972 1.00 0.00 N ATOM 57 CA VAL A 38 5.002 -0.457 -3.609 1.00 0.00 C ATOM 58 C VAL A 38 4.377 -1.857 -3.583 1.00 0.00 C ATOM 59 O VAL A 38 3.191 -2.008 -3.287 1.00 0.00 O ATOM 60 CB VAL A 38 5.630 -0.119 -2.236 1.00 0.00 C ATOM 61 CG1 VAL A 38 4.565 -0.069 -1.151 1.00 0.00 C ATOM 62 CG2 VAL A 38 6.726 -1.109 -1.879 1.00 0.00 C ATOM 0 H VAL A 38 3.068 0.327 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 38 5.796 -0.435 -4.355 1.00 0.00 H new ATOM 0 HB VAL A 38 6.084 0.869 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.031 0.170 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.829 0.697 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.071 -1.038 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.150 -0.848 -0.909 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.307 -2.114 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.508 -1.076 -2.638 1.00 0.00 H new ATOM 72 N SER A 39 5.165 -2.875 -3.910 1.00 0.00 N ATOM 73 CA SER A 39 4.661 -4.237 -3.985 1.00 0.00 C ATOM 74 C SER A 39 5.126 -5.055 -2.777 1.00 0.00 C ATOM 75 O SER A 39 6.314 -5.338 -2.626 1.00 0.00 O ATOM 76 CB SER A 39 5.138 -4.887 -5.292 1.00 0.00 C ATOM 77 OG SER A 39 4.618 -6.198 -5.448 1.00 0.00 O ATOM 0 H SER A 39 6.157 -2.780 -4.127 1.00 0.00 H new ATOM 0 HA SER A 39 3.571 -4.213 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.831 -4.271 -6.137 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.227 -4.924 -5.303 1.00 0.00 H new ATOM 0 HG SER A 39 4.941 -6.580 -6.291 1.00 0.00 H new ATOM 83 N GLN A 40 4.180 -5.420 -1.917 1.00 0.00 N ATOM 84 CA GLN A 40 4.467 -6.236 -0.740 1.00 0.00 C ATOM 85 C GLN A 40 3.256 -7.080 -0.378 1.00 0.00 C ATOM 86 O GLN A 40 2.138 -6.761 -0.767 1.00 0.00 O ATOM 87 CB GLN A 40 4.854 -5.355 0.444 1.00 0.00 C ATOM 88 CG GLN A 40 6.347 -5.339 0.734 1.00 0.00 C ATOM 89 CD GLN A 40 6.797 -6.515 1.578 1.00 0.00 C ATOM 90 OE1 GLN A 40 5.925 -6.979 2.458 1.00 0.00 O flip ATOM 91 NE2 GLN A 40 7.924 -6.989 1.455 1.00 0.00 N flip ATOM 0 H GLN A 40 3.198 -5.161 -2.014 1.00 0.00 H new ATOM 0 HA GLN A 40 5.304 -6.893 -0.976 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.520 -4.336 0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.324 -5.702 1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.895 -5.344 -0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.602 -4.412 1.247 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.567 -6.603 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.216 -7.769 2.044 1.00 0.00 H new ATOM 100 N ALA A 41 3.484 -8.160 0.347 1.00 0.00 N ATOM 101 CA ALA A 41 2.413 -9.071 0.728 1.00 0.00 C ATOM 102 C ALA A 41 2.373 -9.269 2.239 1.00 0.00 C ATOM 103 O ALA A 41 3.395 -9.120 2.913 1.00 0.00 O ATOM 104 CB ALA A 41 2.618 -10.387 0.017 1.00 0.00 C ATOM 0 H ALA A 41 4.407 -8.431 0.687 1.00 0.00 H new ATOM 0 HA ALA A 41 1.454 -8.644 0.434 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.822 -11.078 0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.599 -10.225 -1.061 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.581 -10.809 0.304 1.00 0.00 H new ATOM 110 N ILE A 42 1.199 -9.633 2.769 1.00 0.00 N ATOM 111 CA ILE A 42 1.003 -9.728 4.224 1.00 0.00 C ATOM 112 C ILE A 42 -0.107 -10.727 4.554 1.00 0.00 C ATOM 113 O ILE A 42 -0.813 -11.204 3.660 1.00 0.00 O ATOM 114 CB ILE A 42 0.628 -8.371 4.898 1.00 0.00 C ATOM 115 CG1 ILE A 42 -0.895 -8.180 4.929 1.00 0.00 C ATOM 116 CG2 ILE A 42 1.290 -7.193 4.197 1.00 0.00 C ATOM 117 CD1 ILE A 42 -1.338 -6.897 5.594 1.00 0.00 C ATOM 0 H ILE A 42 0.373 -9.866 2.217 1.00 0.00 H new ATOM 0 HA ILE A 42 1.966 -10.053 4.619 1.00 0.00 H new ATOM 0 HB ILE A 42 1.000 -8.405 5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.274 -8.198 3.907 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.347 -9.023 5.452 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.005 -6.266 4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.373 -7.308 4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.967 -7.160 3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.426 -6.835 5.576 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.990 -6.884 6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.917 -6.046 5.059 1.00 0.00 H new ATOM 129 N ASP A 43 -0.260 -11.014 5.843 1.00 0.00 N ATOM 130 CA ASP A 43 -1.347 -11.851 6.342 1.00 0.00 C ATOM 131 C ASP A 43 -2.677 -11.129 6.214 1.00 0.00 C ATOM 132 O ASP A 43 -2.788 -9.980 6.629 1.00 0.00 O ATOM 133 CB ASP A 43 -1.109 -12.163 7.818 1.00 0.00 C ATOM 134 CG ASP A 43 -0.070 -13.239 8.039 1.00 0.00 C ATOM 135 OD1 ASP A 43 -0.307 -14.399 7.641 1.00 0.00 O ATOM 136 OD2 ASP A 43 0.991 -12.931 8.622 1.00 0.00 O ATOM 0 H ASP A 43 0.366 -10.673 6.572 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.374 -12.769 5.755 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.795 -11.253 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.049 -12.476 8.273 1.00 0.00 H new ATOM 141 N ILE A 44 -3.705 -11.785 5.679 1.00 0.00 N ATOM 142 CA ILE A 44 -4.998 -11.127 5.545 1.00 0.00 C ATOM 143 C ILE A 44 -5.878 -11.451 6.729 1.00 0.00 C ATOM 144 O ILE A 44 -6.883 -10.792 6.962 1.00 0.00 O ATOM 145 CB ILE A 44 -5.751 -11.533 4.264 1.00 0.00 C ATOM 146 CG1 ILE A 44 -6.454 -12.874 4.419 1.00 0.00 C ATOM 147 CG2 ILE A 44 -4.796 -11.590 3.096 1.00 0.00 C ATOM 148 CD1 ILE A 44 -7.584 -13.040 3.434 1.00 0.00 C ATOM 0 H ILE A 44 -3.669 -12.746 5.340 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.787 -10.059 5.494 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.513 -10.776 4.079 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.732 -13.679 4.281 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.842 -12.964 5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.339 -11.878 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.343 -10.610 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.016 -12.324 3.299 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.056 -14.011 3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.320 -12.251 3.589 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.193 -12.977 2.418 1.00 0.00 H new ATOM 160 N ASN A 45 -5.515 -12.496 7.451 1.00 0.00 N ATOM 161 CA ASN A 45 -6.236 -12.872 8.654 1.00 0.00 C ATOM 162 C ASN A 45 -5.642 -12.093 9.821 1.00 0.00 C ATOM 163 O ASN A 45 -6.160 -12.110 10.936 1.00 0.00 O ATOM 164 CB ASN A 45 -6.080 -14.369 8.941 1.00 0.00 C ATOM 165 CG ASN A 45 -5.895 -15.208 7.691 1.00 0.00 C ATOM 166 OD1 ASN A 45 -6.840 -15.744 7.131 1.00 0.00 O ATOM 167 ND2 ASN A 45 -4.655 -15.323 7.244 1.00 0.00 N ATOM 0 H ASN A 45 -4.725 -13.100 7.225 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.295 -12.650 8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.224 -14.518 9.599 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.960 -14.722 9.479 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.464 -15.873 6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.890 -14.862 7.737 1.00 0.00 H new ATOM 174 N GLU A 46 -4.535 -11.410 9.537 1.00 0.00 N ATOM 175 CA GLU A 46 -3.795 -10.672 10.534 1.00 0.00 C ATOM 176 C GLU A 46 -3.710 -9.193 10.146 1.00 0.00 C ATOM 177 O GLU A 46 -4.075 -8.828 9.031 1.00 0.00 O ATOM 178 CB GLU A 46 -2.407 -11.294 10.719 1.00 0.00 C ATOM 179 CG GLU A 46 -2.431 -12.584 11.521 1.00 0.00 C ATOM 180 CD GLU A 46 -1.048 -13.033 11.939 1.00 0.00 C ATOM 181 OE1 GLU A 46 -0.356 -12.262 12.634 1.00 0.00 O ATOM 182 OE2 GLU A 46 -0.642 -14.153 11.571 1.00 0.00 O ATOM 0 H GLU A 46 -4.132 -11.359 8.601 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.316 -10.729 11.490 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.971 -11.491 9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.758 -10.575 11.219 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.048 -12.444 12.409 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.900 -13.368 10.927 1.00 0.00 H new ATOM 189 N PRO A 47 -3.222 -8.338 11.056 1.00 0.00 N ATOM 190 CA PRO A 47 -3.278 -6.867 10.926 1.00 0.00 C ATOM 191 C PRO A 47 -2.804 -6.342 9.575 1.00 0.00 C ATOM 192 O PRO A 47 -1.731 -6.694 9.105 1.00 0.00 O ATOM 193 CB PRO A 47 -2.325 -6.384 12.027 1.00 0.00 C ATOM 194 CG PRO A 47 -1.560 -7.595 12.427 1.00 0.00 C ATOM 195 CD PRO A 47 -2.520 -8.720 12.280 1.00 0.00 C ATOM 0 HA PRO A 47 -4.305 -6.511 11.011 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.662 -5.601 11.660 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.875 -5.967 12.871 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.685 -7.737 11.793 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.200 -7.514 13.453 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.015 -9.681 12.182 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -3.194 -8.800 13.133 1.00 0.00 H new ATOM 203 N ILE A 48 -3.606 -5.481 8.962 1.00 0.00 N ATOM 204 CA ILE A 48 -3.229 -4.869 7.694 1.00 0.00 C ATOM 205 C ILE A 48 -2.313 -3.682 7.937 1.00 0.00 C ATOM 206 O ILE A 48 -1.688 -3.154 7.019 1.00 0.00 O ATOM 207 CB ILE A 48 -4.465 -4.410 6.882 1.00 0.00 C ATOM 208 CG1 ILE A 48 -4.989 -3.060 7.360 1.00 0.00 C ATOM 209 CG2 ILE A 48 -5.562 -5.438 6.973 1.00 0.00 C ATOM 210 CD1 ILE A 48 -4.633 -1.939 6.426 1.00 0.00 C ATOM 0 H ILE A 48 -4.516 -5.192 9.319 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.706 -5.627 7.111 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.149 -4.302 5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.073 -3.111 7.464 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.584 -2.847 8.349 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.424 -5.102 6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.206 -6.387 6.572 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.851 -5.570 8.016 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.031 -1.001 6.815 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.549 -1.866 6.342 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.061 -2.135 5.443 1.00 0.00 H new ATOM 222 N GLY A 49 -2.234 -3.261 9.190 1.00 0.00 N ATOM 223 CA GLY A 49 -1.424 -2.116 9.525 1.00 0.00 C ATOM 224 C GLY A 49 0.040 -2.437 9.552 1.00 0.00 C ATOM 225 O GLY A 49 0.869 -1.544 9.739 1.00 0.00 O ATOM 0 H GLY A 49 -2.717 -3.693 9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.605 -1.322 8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.727 -1.733 10.500 1.00 0.00 H new ATOM 229 N ASN A 50 0.377 -3.702 9.331 1.00 0.00 N ATOM 230 CA ASN A 50 1.761 -4.118 9.343 1.00 0.00 C ATOM 231 C ASN A 50 2.477 -3.584 8.106 1.00 0.00 C ATOM 232 O ASN A 50 3.688 -3.733 7.961 1.00 0.00 O ATOM 233 CB ASN A 50 1.880 -5.656 9.444 1.00 0.00 C ATOM 234 CG ASN A 50 1.297 -6.411 8.258 1.00 0.00 C ATOM 235 OD1 ASN A 50 1.335 -5.945 7.124 1.00 0.00 O ATOM 236 ND2 ASN A 50 0.749 -7.595 8.513 1.00 0.00 N ATOM 0 H ASN A 50 -0.291 -4.450 9.143 1.00 0.00 H new ATOM 0 HA ASN A 50 2.243 -3.699 10.226 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.932 -5.921 9.546 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.378 -5.988 10.353 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.344 -8.144 7.754 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.733 -7.955 9.467 1.00 0.00 H new ATOM 243 N LEU A 51 1.714 -2.938 7.224 1.00 0.00 N ATOM 244 CA LEU A 51 2.275 -2.282 6.051 1.00 0.00 C ATOM 245 C LEU A 51 3.229 -1.167 6.463 1.00 0.00 C ATOM 246 O LEU A 51 4.147 -0.818 5.728 1.00 0.00 O ATOM 247 CB LEU A 51 1.164 -1.721 5.153 1.00 0.00 C ATOM 248 CG LEU A 51 0.643 -2.678 4.073 1.00 0.00 C ATOM 249 CD1 LEU A 51 0.161 -3.980 4.680 1.00 0.00 C ATOM 250 CD2 LEU A 51 -0.476 -2.028 3.281 1.00 0.00 C ATOM 0 H LEU A 51 0.700 -2.857 7.304 1.00 0.00 H new ATOM 0 HA LEU A 51 2.833 -3.028 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.327 -1.422 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.535 -0.819 4.667 1.00 0.00 H new ATOM 0 HG LEU A 51 1.471 -2.901 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.202 -4.637 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.985 -4.464 5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.647 -3.777 5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.833 -2.721 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.296 -1.772 3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.104 -1.123 2.801 1.00 0.00 H new ATOM 262 N LYS A 52 3.032 -0.635 7.662 1.00 0.00 N ATOM 263 CA LYS A 52 3.925 0.386 8.184 1.00 0.00 C ATOM 264 C LYS A 52 5.263 -0.246 8.556 1.00 0.00 C ATOM 265 O LYS A 52 6.290 0.424 8.604 1.00 0.00 O ATOM 266 CB LYS A 52 3.335 1.080 9.415 1.00 0.00 C ATOM 267 CG LYS A 52 2.272 2.133 9.123 1.00 0.00 C ATOM 268 CD LYS A 52 2.053 3.000 10.354 1.00 0.00 C ATOM 269 CE LYS A 52 1.161 4.193 10.067 1.00 0.00 C ATOM 270 NZ LYS A 52 -0.273 3.820 9.990 1.00 0.00 N ATOM 0 H LYS A 52 2.267 -0.892 8.286 1.00 0.00 H new ATOM 0 HA LYS A 52 4.064 1.136 7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.902 0.321 10.067 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.146 1.551 9.970 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.582 2.752 8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.338 1.650 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.607 2.398 11.145 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.016 3.350 10.725 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.298 4.942 10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.465 4.653 9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.674 4.166 9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.365 2.785 10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.786 4.247 10.788 1.00 0.00 H new ATOM 284 N LYS A 53 5.228 -1.540 8.838 1.00 0.00 N ATOM 285 CA LYS A 53 6.422 -2.276 9.219 1.00 0.00 C ATOM 286 C LYS A 53 7.107 -2.862 7.993 1.00 0.00 C ATOM 287 O LYS A 53 8.315 -2.717 7.808 1.00 0.00 O ATOM 288 CB LYS A 53 6.062 -3.404 10.187 1.00 0.00 C ATOM 289 CG LYS A 53 5.085 -2.985 11.269 1.00 0.00 C ATOM 290 CD LYS A 53 4.912 -4.069 12.319 1.00 0.00 C ATOM 291 CE LYS A 53 6.142 -4.184 13.205 1.00 0.00 C ATOM 292 NZ LYS A 53 6.396 -2.929 13.961 1.00 0.00 N ATOM 0 H LYS A 53 4.379 -2.104 8.809 1.00 0.00 H new ATOM 0 HA LYS A 53 7.105 -1.582 9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.634 -4.233 9.623 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.974 -3.775 10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.439 -2.070 11.745 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.119 -2.757 10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.039 -3.847 12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.723 -5.025 11.830 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.010 -5.010 13.904 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.011 -4.421 12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.990 -3.137 14.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.885 -2.247 13.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.491 -2.524 14.276 1.00 0.00 H new ATOM 306 N LEU A 54 6.321 -3.514 7.151 1.00 0.00 N ATOM 307 CA LEU A 54 6.855 -4.264 6.027 1.00 0.00 C ATOM 308 C LEU A 54 7.299 -3.349 4.892 1.00 0.00 C ATOM 309 O LEU A 54 8.174 -3.706 4.108 1.00 0.00 O ATOM 310 CB LEU A 54 5.823 -5.270 5.502 1.00 0.00 C ATOM 311 CG LEU A 54 5.733 -6.606 6.254 1.00 0.00 C ATOM 312 CD1 LEU A 54 5.292 -6.413 7.696 1.00 0.00 C ATOM 313 CD2 LEU A 54 4.780 -7.543 5.536 1.00 0.00 C ATOM 0 H LEU A 54 5.304 -3.538 7.227 1.00 0.00 H new ATOM 0 HA LEU A 54 7.730 -4.802 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.841 -4.797 5.526 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.051 -5.480 4.457 1.00 0.00 H new ATOM 0 HG LEU A 54 6.730 -7.046 6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.241 -7.381 8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.010 -5.777 8.214 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.309 -5.942 7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.723 -8.488 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.790 -7.090 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.142 -7.725 4.524 1.00 0.00 H new ATOM 325 N LEU A 55 6.693 -2.174 4.794 1.00 0.00 N ATOM 326 CA LEU A 55 7.033 -1.247 3.722 1.00 0.00 C ATOM 327 C LEU A 55 8.056 -0.213 4.177 1.00 0.00 C ATOM 328 O LEU A 55 8.514 0.608 3.380 1.00 0.00 O ATOM 329 CB LEU A 55 5.778 -0.565 3.168 1.00 0.00 C ATOM 330 CG LEU A 55 4.922 -1.441 2.247 1.00 0.00 C ATOM 331 CD1 LEU A 55 5.804 -2.151 1.242 1.00 0.00 C ATOM 332 CD2 LEU A 55 4.104 -2.452 3.034 1.00 0.00 C ATOM 0 H LEU A 55 5.972 -1.842 5.435 1.00 0.00 H new ATOM 0 HA LEU A 55 7.488 -1.829 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.163 -0.233 4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.079 0.328 2.620 1.00 0.00 H new ATOM 0 HG LEU A 55 4.224 -0.790 1.720 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.188 -2.771 0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.338 -1.414 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.523 -2.779 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.510 -3.054 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.773 -3.101 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.441 -1.927 3.722 1.00 0.00 H new ATOM 344 N GLU A 56 8.417 -0.261 5.455 1.00 0.00 N ATOM 345 CA GLU A 56 9.479 0.591 5.990 1.00 0.00 C ATOM 346 C GLU A 56 10.790 0.412 5.202 1.00 0.00 C ATOM 347 O GLU A 56 11.378 1.397 4.756 1.00 0.00 O ATOM 348 CB GLU A 56 9.686 0.303 7.485 1.00 0.00 C ATOM 349 CG GLU A 56 10.634 1.268 8.178 1.00 0.00 C ATOM 350 CD GLU A 56 10.796 0.961 9.653 1.00 0.00 C ATOM 351 OE1 GLU A 56 11.328 -0.119 9.983 1.00 0.00 O ATOM 352 OE2 GLU A 56 10.388 1.794 10.491 1.00 0.00 O ATOM 0 H GLU A 56 7.990 -0.882 6.143 1.00 0.00 H new ATOM 0 HA GLU A 56 9.174 1.631 5.878 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.719 0.336 7.988 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.070 -0.711 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.609 1.227 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.262 2.286 8.060 1.00 0.00 H new ATOM 359 N PRO A 57 11.267 -0.840 5.002 1.00 0.00 N ATOM 360 CA PRO A 57 12.465 -1.110 4.185 1.00 0.00 C ATOM 361 C PRO A 57 12.238 -0.836 2.696 1.00 0.00 C ATOM 362 O PRO A 57 13.185 -0.666 1.928 1.00 0.00 O ATOM 363 CB PRO A 57 12.709 -2.607 4.393 1.00 0.00 C ATOM 364 CG PRO A 57 11.382 -3.156 4.771 1.00 0.00 C ATOM 365 CD PRO A 57 10.716 -2.085 5.574 1.00 0.00 C ATOM 0 HA PRO A 57 13.297 -0.470 4.479 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.088 -3.076 3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.448 -2.783 5.175 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.795 -3.405 3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.488 -4.072 5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 57 9.631 -2.126 5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.946 -2.176 6.636 1.00 0.00 H new ATOM 373 N ARG A 58 10.977 -0.790 2.301 1.00 0.00 N ATOM 374 CA ARG A 58 10.615 -0.698 0.895 1.00 0.00 C ATOM 375 C ARG A 58 10.552 0.740 0.409 1.00 0.00 C ATOM 376 O ARG A 58 11.070 1.072 -0.658 1.00 0.00 O ATOM 377 CB ARG A 58 9.257 -1.347 0.689 1.00 0.00 C ATOM 378 CG ARG A 58 9.284 -2.863 0.730 1.00 0.00 C ATOM 379 CD ARG A 58 10.001 -3.445 -0.473 1.00 0.00 C ATOM 380 NE ARG A 58 10.067 -4.898 -0.391 1.00 0.00 N ATOM 381 CZ ARG A 58 9.693 -5.724 -1.363 1.00 0.00 C ATOM 382 NH1 ARG A 58 9.254 -5.248 -2.521 1.00 0.00 N ATOM 383 NH2 ARG A 58 9.758 -7.033 -1.168 1.00 0.00 N ATOM 0 H ARG A 58 10.181 -0.815 2.938 1.00 0.00 H new ATOM 0 HA ARG A 58 11.387 -1.211 0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.573 -0.985 1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.855 -1.027 -0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.779 -3.193 1.643 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.263 -3.244 0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.483 -3.152 -1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.009 -3.035 -0.533 1.00 0.00 H new ATOM 0 HE ARG A 58 10.425 -5.310 0.471 1.00 0.00 H new ATOM 0 HH11 ARG A 58 9.201 -4.240 -2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.969 -5.890 -3.261 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.093 -7.400 -0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.473 -7.674 -1.909 1.00 0.00 H new ATOM 397 N LEU A 59 9.923 1.588 1.193 1.00 0.00 N ATOM 398 CA LEU A 59 9.728 2.969 0.800 1.00 0.00 C ATOM 399 C LEU A 59 10.813 3.852 1.387 1.00 0.00 C ATOM 400 O LEU A 59 11.019 4.978 0.938 1.00 0.00 O ATOM 401 CB LEU A 59 8.352 3.458 1.256 1.00 0.00 C ATOM 402 CG LEU A 59 7.163 2.707 0.650 1.00 0.00 C ATOM 403 CD1 LEU A 59 5.868 3.142 1.312 1.00 0.00 C ATOM 404 CD2 LEU A 59 7.095 2.945 -0.850 1.00 0.00 C ATOM 0 H LEU A 59 9.538 1.347 2.106 1.00 0.00 H new ATOM 0 HA LEU A 59 9.784 3.027 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.297 3.379 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.259 4.515 1.008 1.00 0.00 H new ATOM 0 HG LEU A 59 7.302 1.640 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.033 2.599 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.915 2.928 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.725 4.212 1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.245 2.405 -1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.978 4.011 -1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.014 2.590 -1.317 1.00 0.00 H new ATOM 416 N GLN A 60 11.511 3.314 2.391 1.00 0.00 N ATOM 417 CA GLN A 60 12.512 4.067 3.145 1.00 0.00 C ATOM 418 C GLN A 60 11.856 5.276 3.801 1.00 0.00 C ATOM 419 O GLN A 60 12.510 6.260 4.149 1.00 0.00 O ATOM 420 CB GLN A 60 13.666 4.487 2.232 1.00 0.00 C ATOM 421 CG GLN A 60 14.401 3.305 1.622 1.00 0.00 C ATOM 422 CD GLN A 60 15.517 3.717 0.684 1.00 0.00 C ATOM 423 OE1 GLN A 60 16.655 3.916 1.106 1.00 0.00 O ATOM 424 NE2 GLN A 60 15.206 3.832 -0.596 1.00 0.00 N ATOM 0 H GLN A 60 11.398 2.349 2.701 1.00 0.00 H new ATOM 0 HA GLN A 60 12.927 3.432 3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.278 5.118 1.433 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.371 5.092 2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.815 2.691 2.422 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.689 2.684 1.079 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.250 3.658 -0.906 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.922 4.094 -1.273 1.00 0.00 H new ATOM 433 N CYS A 61 10.551 5.153 3.985 1.00 0.00 N ATOM 434 CA CYS A 61 9.736 6.222 4.537 1.00 0.00 C ATOM 435 C CYS A 61 9.408 5.941 5.994 1.00 0.00 C ATOM 436 O CYS A 61 9.373 4.786 6.418 1.00 0.00 O ATOM 437 CB CYS A 61 8.440 6.373 3.735 1.00 0.00 C ATOM 438 SG CYS A 61 8.682 6.888 2.020 1.00 0.00 S ATOM 0 H CYS A 61 10.027 4.308 3.755 1.00 0.00 H new ATOM 0 HA CYS A 61 10.303 7.151 4.475 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.908 5.422 3.745 1.00 0.00 H new ATOM 0 HB3 CYS A 61 7.801 7.101 4.234 1.00 0.00 H new ATOM 0 HG CYS A 61 9.622 6.170 1.480 1.00 0.00 H new ATOM 444 N SER A 62 9.188 6.995 6.759 1.00 0.00 N ATOM 445 CA SER A 62 8.743 6.850 8.129 1.00 0.00 C ATOM 446 C SER A 62 7.241 6.621 8.148 1.00 0.00 C ATOM 447 O SER A 62 6.458 7.571 8.091 1.00 0.00 O ATOM 448 CB SER A 62 9.101 8.094 8.939 1.00 0.00 C ATOM 449 OG SER A 62 10.477 8.408 8.805 1.00 0.00 O ATOM 0 H SER A 62 9.311 7.960 6.453 1.00 0.00 H new ATOM 0 HA SER A 62 9.244 5.994 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.497 8.937 8.603 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.862 7.929 9.990 1.00 0.00 H new ATOM 0 HG SER A 62 10.682 9.209 9.331 1.00 0.00 H new ATOM 455 N LEU A 63 6.849 5.358 8.217 1.00 0.00 N ATOM 456 CA LEU A 63 5.439 5.008 8.208 1.00 0.00 C ATOM 457 C LEU A 63 4.836 5.344 9.565 1.00 0.00 C ATOM 458 O LEU A 63 5.030 4.610 10.536 1.00 0.00 O ATOM 459 CB LEU A 63 5.200 3.526 7.875 1.00 0.00 C ATOM 460 CG LEU A 63 5.622 3.031 6.481 1.00 0.00 C ATOM 461 CD1 LEU A 63 5.364 4.063 5.396 1.00 0.00 C ATOM 462 CD2 LEU A 63 7.071 2.607 6.481 1.00 0.00 C ATOM 0 H LEU A 63 7.485 4.563 8.280 1.00 0.00 H new ATOM 0 HA LEU A 63 4.955 5.588 7.422 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.726 2.926 8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.136 3.322 7.996 1.00 0.00 H new ATOM 0 HG LEU A 63 5.002 2.165 6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.679 3.664 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.300 4.296 5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.928 4.970 5.615 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.349 2.260 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.698 3.454 6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.214 1.800 7.199 1.00 0.00 H new ATOM 474 N ASP A 64 4.118 6.457 9.632 1.00 0.00 N ATOM 475 CA ASP A 64 3.622 6.961 10.904 1.00 0.00 C ATOM 476 C ASP A 64 2.311 7.720 10.733 1.00 0.00 C ATOM 477 O ASP A 64 1.250 7.222 11.105 1.00 0.00 O ATOM 478 CB ASP A 64 4.670 7.868 11.549 1.00 0.00 C ATOM 479 CG ASP A 64 4.342 8.199 12.988 1.00 0.00 C ATOM 480 OD1 ASP A 64 4.660 7.377 13.874 1.00 0.00 O ATOM 481 OD2 ASP A 64 3.778 9.280 13.243 1.00 0.00 O ATOM 0 H ASP A 64 3.867 7.026 8.823 1.00 0.00 H new ATOM 0 HA ASP A 64 3.431 6.106 11.552 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.644 7.381 11.504 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.749 8.792 10.976 1.00 0.00 H new ATOM 486 N ALA A 65 2.387 8.925 10.171 1.00 0.00 N ATOM 487 CA ALA A 65 1.211 9.777 10.003 1.00 0.00 C ATOM 488 C ALA A 65 0.215 9.213 8.993 1.00 0.00 C ATOM 489 O ALA A 65 -0.992 9.442 9.105 1.00 0.00 O ATOM 490 CB ALA A 65 1.644 11.172 9.582 1.00 0.00 C ATOM 0 H ALA A 65 3.254 9.335 9.823 1.00 0.00 H new ATOM 0 HA ALA A 65 0.701 9.817 10.965 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.765 11.804 9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.292 11.598 10.348 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.186 11.115 8.638 1.00 0.00 H new ATOM 496 N HIS A 66 0.717 8.480 8.014 1.00 0.00 N ATOM 497 CA HIS A 66 -0.137 7.889 6.997 1.00 0.00 C ATOM 498 C HIS A 66 -0.817 6.616 7.451 1.00 0.00 C ATOM 499 O HIS A 66 -0.178 5.621 7.800 1.00 0.00 O ATOM 500 CB HIS A 66 0.569 7.697 5.644 1.00 0.00 C ATOM 501 CG HIS A 66 2.052 7.494 5.667 1.00 0.00 C ATOM 502 ND1 HIS A 66 2.745 7.128 6.794 1.00 0.00 N ATOM 503 CD2 HIS A 66 2.927 7.699 4.660 1.00 0.00 C ATOM 504 CE1 HIS A 66 4.015 7.134 6.439 1.00 0.00 C ATOM 505 NE2 HIS A 66 4.177 7.475 5.158 1.00 0.00 N ATOM 0 H HIS A 66 1.711 8.280 7.901 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.924 8.627 6.839 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.118 6.838 5.147 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.357 8.570 5.026 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.683 7.987 3.648 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.829 6.892 7.106 1.00 0.00 H new ATOM 0 HE2 HIS A 66 5.060 7.553 4.653 1.00 0.00 H new ATOM 513 N GLU A 67 -2.138 6.680 7.429 1.00 0.00 N ATOM 514 CA GLU A 67 -2.993 5.568 7.795 1.00 0.00 C ATOM 515 C GLU A 67 -3.025 4.554 6.662 1.00 0.00 C ATOM 516 O GLU A 67 -2.819 4.905 5.500 1.00 0.00 O ATOM 517 CB GLU A 67 -4.406 6.092 8.089 1.00 0.00 C ATOM 518 CG GLU A 67 -5.039 6.832 6.916 1.00 0.00 C ATOM 519 CD GLU A 67 -6.247 7.655 7.317 1.00 0.00 C ATOM 520 OE1 GLU A 67 -6.061 8.805 7.773 1.00 0.00 O ATOM 521 OE2 GLU A 67 -7.384 7.169 7.163 1.00 0.00 O ATOM 0 H GLU A 67 -2.651 7.517 7.153 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.604 5.079 8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.045 5.254 8.366 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.365 6.760 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.295 7.487 6.462 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.335 6.110 6.155 1.00 0.00 H new ATOM 528 N ILE A 68 -3.268 3.298 6.991 1.00 0.00 N ATOM 529 CA ILE A 68 -3.320 2.268 5.969 1.00 0.00 C ATOM 530 C ILE A 68 -4.707 2.260 5.348 1.00 0.00 C ATOM 531 O ILE A 68 -5.697 2.511 6.038 1.00 0.00 O ATOM 532 CB ILE A 68 -3.002 0.866 6.515 1.00 0.00 C ATOM 533 CG1 ILE A 68 -2.144 0.930 7.782 1.00 0.00 C ATOM 534 CG2 ILE A 68 -2.288 0.060 5.440 1.00 0.00 C ATOM 535 CD1 ILE A 68 -0.712 1.346 7.543 1.00 0.00 C ATOM 0 H ILE A 68 -3.430 2.970 7.943 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.556 2.505 5.228 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.941 0.382 6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.601 1.630 8.481 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.150 -0.049 8.261 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.060 -0.935 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.930 -0.026 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.362 0.563 5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.176 1.365 8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.234 0.634 6.870 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -0.692 2.339 7.094 1.00 0.00 H new ATOM 547 N CYS A 69 -4.788 1.972 4.064 1.00 0.00 N ATOM 548 CA CYS A 69 -6.005 2.171 3.322 1.00 0.00 C ATOM 549 C CYS A 69 -6.071 1.213 2.157 1.00 0.00 C ATOM 550 O CYS A 69 -5.102 0.514 1.863 1.00 0.00 O ATOM 551 CB CYS A 69 -6.074 3.612 2.829 1.00 0.00 C ATOM 552 SG CYS A 69 -6.296 4.804 4.164 1.00 0.00 S ATOM 0 H CYS A 69 -4.015 1.597 3.514 1.00 0.00 H new ATOM 0 HA CYS A 69 -6.857 1.977 3.974 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.159 3.849 2.287 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.898 3.709 2.122 1.00 0.00 H new ATOM 0 HG CYS A 69 -6.202 4.196 5.309 1.00 0.00 H new ATOM 558 N LEU A 70 -7.215 1.158 1.513 1.00 0.00 N ATOM 559 CA LEU A 70 -7.404 0.269 0.400 1.00 0.00 C ATOM 560 C LEU A 70 -8.275 0.926 -0.641 1.00 0.00 C ATOM 561 O LEU A 70 -9.441 1.196 -0.389 1.00 0.00 O ATOM 562 CB LEU A 70 -8.050 -1.014 0.878 1.00 0.00 C ATOM 563 CG LEU A 70 -7.745 -2.219 0.022 1.00 0.00 C ATOM 564 CD1 LEU A 70 -7.576 -3.431 0.905 1.00 0.00 C ATOM 565 CD2 LEU A 70 -8.842 -2.451 -1.002 1.00 0.00 C ATOM 0 H LEU A 70 -8.031 1.724 1.747 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.435 0.039 -0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.721 -1.215 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.130 -0.872 0.913 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.818 -2.039 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.356 -4.302 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.755 -3.262 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.496 -3.605 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.597 -3.325 -1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.789 -2.618 -0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.928 -1.577 -1.647 1.00 0.00 H new ATOM 577 N GLN A 71 -7.698 1.188 -1.805 1.00 0.00 N ATOM 578 CA GLN A 71 -8.412 1.848 -2.888 1.00 0.00 C ATOM 579 C GLN A 71 -9.027 3.153 -2.392 1.00 0.00 C ATOM 580 O GLN A 71 -10.136 3.522 -2.772 1.00 0.00 O ATOM 581 CB GLN A 71 -9.455 0.890 -3.480 1.00 0.00 C ATOM 582 CG GLN A 71 -8.812 -0.306 -4.172 1.00 0.00 C ATOM 583 CD GLN A 71 -9.719 -1.521 -4.269 1.00 0.00 C ATOM 584 OE1 GLN A 71 -10.940 -1.407 -4.354 1.00 0.00 O ATOM 585 NE2 GLN A 71 -9.111 -2.702 -4.261 1.00 0.00 N ATOM 0 H GLN A 71 -6.730 0.951 -2.024 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.719 2.108 -3.688 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.114 0.537 -2.686 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.077 1.429 -4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.507 -0.012 -5.176 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.907 -0.583 -3.632 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.095 -2.752 -4.189 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.660 -3.559 -4.327 1.00 0.00 H new ATOM 594 N ASP A 72 -8.276 3.804 -1.492 1.00 0.00 N ATOM 595 CA ASP A 72 -8.593 5.142 -0.959 1.00 0.00 C ATOM 596 C ASP A 72 -9.520 5.052 0.256 1.00 0.00 C ATOM 597 O ASP A 72 -9.610 5.998 1.043 1.00 0.00 O ATOM 598 CB ASP A 72 -9.153 6.087 -2.044 1.00 0.00 C ATOM 599 CG ASP A 72 -9.490 7.473 -1.524 1.00 0.00 C ATOM 600 OD1 ASP A 72 -8.553 8.248 -1.240 1.00 0.00 O ATOM 601 OD2 ASP A 72 -10.688 7.803 -1.414 1.00 0.00 O ATOM 0 H ASP A 72 -7.417 3.412 -1.106 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.655 5.583 -0.622 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.423 6.177 -2.848 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -10.049 5.641 -2.475 1.00 0.00 H new ATOM 606 N ILE A 73 -10.170 3.900 0.443 1.00 0.00 N ATOM 607 CA ILE A 73 -10.915 3.634 1.670 1.00 0.00 C ATOM 608 C ILE A 73 -9.918 3.464 2.799 1.00 0.00 C ATOM 609 O ILE A 73 -8.866 2.877 2.593 1.00 0.00 O ATOM 610 CB ILE A 73 -11.722 2.320 1.605 1.00 0.00 C ATOM 611 CG1 ILE A 73 -12.262 2.049 0.206 1.00 0.00 C ATOM 612 CG2 ILE A 73 -12.865 2.355 2.610 1.00 0.00 C ATOM 613 CD1 ILE A 73 -12.566 0.582 -0.010 1.00 0.00 C ATOM 0 H ILE A 73 -10.194 3.141 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 73 -11.603 4.467 1.817 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.042 1.506 1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.168 2.634 0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -11.534 2.381 -0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.427 1.423 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -12.462 2.477 3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.526 3.191 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -12.948 0.435 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.655 -0.002 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.314 0.255 0.712 1.00 0.00 H new ATOM 625 N GLN A 74 -10.238 3.940 3.979 1.00 0.00 N ATOM 626 CA GLN A 74 -9.326 3.789 5.101 1.00 0.00 C ATOM 627 C GLN A 74 -9.572 2.468 5.817 1.00 0.00 C ATOM 628 O GLN A 74 -10.710 2.010 5.945 1.00 0.00 O ATOM 629 CB GLN A 74 -9.413 4.957 6.094 1.00 0.00 C ATOM 630 CG GLN A 74 -10.612 5.878 5.907 1.00 0.00 C ATOM 631 CD GLN A 74 -10.417 6.952 4.842 1.00 0.00 C ATOM 632 OE1 GLN A 74 -9.199 7.453 4.678 1.00 0.00 O flip ATOM 633 NE2 GLN A 74 -11.374 7.347 4.175 1.00 0.00 N flip ATOM 0 H GLN A 74 -11.108 4.429 4.191 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.317 3.793 4.689 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.440 4.552 7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.503 5.551 6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.481 5.275 5.644 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -10.836 6.362 6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -12.299 6.944 4.322 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.241 8.077 3.475 1.00 0.00 H new ATOM 642 N LEU A 75 -8.491 1.870 6.287 1.00 0.00 N ATOM 643 CA LEU A 75 -8.530 0.578 6.954 1.00 0.00 C ATOM 644 C LEU A 75 -8.080 0.760 8.397 1.00 0.00 C ATOM 645 O LEU A 75 -7.693 1.861 8.782 1.00 0.00 O ATOM 646 CB LEU A 75 -7.607 -0.403 6.222 1.00 0.00 C ATOM 647 CG LEU A 75 -8.052 -0.783 4.806 1.00 0.00 C ATOM 648 CD1 LEU A 75 -6.891 -1.305 3.982 1.00 0.00 C ATOM 649 CD2 LEU A 75 -9.128 -1.839 4.864 1.00 0.00 C ATOM 0 H LEU A 75 -7.555 2.269 6.217 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.543 0.175 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.609 0.033 6.168 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.525 -1.313 6.817 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.440 0.118 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.242 -1.565 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.123 -0.536 3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.473 -2.190 4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.436 -2.101 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.741 -2.726 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.986 -1.455 5.416 1.00 0.00 H new ATOM 661 N ASP A 76 -8.109 -0.297 9.198 1.00 0.00 N ATOM 662 CA ASP A 76 -7.664 -0.190 10.563 1.00 0.00 C ATOM 663 C ASP A 76 -6.484 -1.120 10.759 1.00 0.00 C ATOM 664 O ASP A 76 -6.624 -2.339 10.689 1.00 0.00 O ATOM 665 CB ASP A 76 -8.787 -0.527 11.544 1.00 0.00 C ATOM 666 CG ASP A 76 -8.409 -0.192 12.973 1.00 0.00 C ATOM 667 OD1 ASP A 76 -8.321 1.014 13.302 1.00 0.00 O ATOM 668 OD2 ASP A 76 -8.198 -1.123 13.771 1.00 0.00 O ATOM 0 H ASP A 76 -8.434 -1.224 8.922 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.364 0.839 10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.687 0.023 11.268 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.027 -1.588 11.471 1.00 0.00 H new ATOM 673 N PRO A 77 -5.297 -0.530 10.935 1.00 0.00 N ATOM 674 CA PRO A 77 -4.029 -1.249 11.147 1.00 0.00 C ATOM 675 C PRO A 77 -4.135 -2.394 12.148 1.00 0.00 C ATOM 676 O PRO A 77 -3.423 -3.391 12.040 1.00 0.00 O ATOM 677 CB PRO A 77 -3.115 -0.157 11.701 1.00 0.00 C ATOM 678 CG PRO A 77 -3.617 1.100 11.081 1.00 0.00 C ATOM 679 CD PRO A 77 -5.102 0.926 10.909 1.00 0.00 C ATOM 0 HA PRO A 77 -3.681 -1.723 10.229 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.166 -0.111 12.789 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.073 -0.340 11.438 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.398 1.960 11.714 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.133 1.279 10.121 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.656 1.417 11.709 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.448 1.358 9.970 1.00 0.00 H new ATOM 687 N ASP A 78 -5.039 -2.250 13.099 1.00 0.00 N ATOM 688 CA ASP A 78 -5.215 -3.225 14.168 1.00 0.00 C ATOM 689 C ASP A 78 -6.014 -4.434 13.704 1.00 0.00 C ATOM 690 O ASP A 78 -6.078 -5.452 14.393 1.00 0.00 O ATOM 691 CB ASP A 78 -5.946 -2.565 15.323 1.00 0.00 C ATOM 692 CG ASP A 78 -5.069 -1.595 16.088 1.00 0.00 C ATOM 693 OD1 ASP A 78 -3.935 -1.971 16.455 1.00 0.00 O ATOM 694 OD2 ASP A 78 -5.509 -0.454 16.335 1.00 0.00 O ATOM 0 H ASP A 78 -5.674 -1.454 13.155 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.228 -3.569 14.477 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.819 -2.036 14.941 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.311 -3.334 16.004 1.00 0.00 H new ATOM 699 N ARG A 79 -6.603 -4.324 12.529 1.00 0.00 N ATOM 700 CA ARG A 79 -7.532 -5.323 12.033 1.00 0.00 C ATOM 701 C ARG A 79 -7.039 -5.857 10.692 1.00 0.00 C ATOM 702 O ARG A 79 -6.234 -5.210 10.023 1.00 0.00 O ATOM 703 CB ARG A 79 -8.914 -4.686 11.897 1.00 0.00 C ATOM 704 CG ARG A 79 -9.489 -4.205 13.221 1.00 0.00 C ATOM 705 CD ARG A 79 -10.845 -3.548 13.033 1.00 0.00 C ATOM 706 NE ARG A 79 -11.263 -2.783 14.209 1.00 0.00 N ATOM 707 CZ ARG A 79 -11.874 -1.598 14.142 1.00 0.00 C ATOM 708 NH1 ARG A 79 -12.161 -1.067 12.962 1.00 0.00 N ATOM 709 NH2 ARG A 79 -12.195 -0.946 15.251 1.00 0.00 N ATOM 0 H ARG A 79 -6.452 -3.542 11.892 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.597 -6.160 12.728 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -8.852 -3.843 11.209 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.598 -5.410 11.454 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.584 -5.048 13.905 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -8.801 -3.496 13.682 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.808 -2.887 12.167 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.590 -4.314 12.818 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.077 -3.177 15.131 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.915 -1.564 12.106 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.628 -0.162 12.910 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.975 -1.350 16.162 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.662 -0.041 15.194 1.00 0.00 H new ATOM 723 N SER A 80 -7.501 -7.038 10.303 1.00 0.00 N ATOM 724 CA SER A 80 -7.001 -7.711 9.109 1.00 0.00 C ATOM 725 C SER A 80 -7.857 -7.457 7.864 1.00 0.00 C ATOM 726 O SER A 80 -8.852 -6.751 7.928 1.00 0.00 O ATOM 727 CB SER A 80 -6.968 -9.202 9.391 1.00 0.00 C ATOM 728 OG SER A 80 -8.271 -9.711 9.624 1.00 0.00 O ATOM 0 H SER A 80 -8.227 -7.554 10.801 1.00 0.00 H new ATOM 0 HA SER A 80 -6.010 -7.311 8.893 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.517 -9.724 8.547 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.339 -9.396 10.259 1.00 0.00 H new ATOM 0 HG SER A 80 -8.540 -9.513 10.545 1.00 0.00 H new ATOM 734 N LEU A 81 -7.435 -8.014 6.722 1.00 0.00 N ATOM 735 CA LEU A 81 -8.284 -8.064 5.524 1.00 0.00 C ATOM 736 C LEU A 81 -9.575 -8.819 5.830 1.00 0.00 C ATOM 737 O LEU A 81 -10.649 -8.448 5.369 1.00 0.00 O ATOM 738 CB LEU A 81 -7.563 -8.730 4.341 1.00 0.00 C ATOM 739 CG LEU A 81 -6.765 -7.807 3.403 1.00 0.00 C ATOM 740 CD1 LEU A 81 -5.662 -7.069 4.136 1.00 0.00 C ATOM 741 CD2 LEU A 81 -6.175 -8.611 2.253 1.00 0.00 C ATOM 0 H LEU A 81 -6.514 -8.435 6.602 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.515 -7.037 5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.881 -9.481 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.307 -9.259 3.745 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.458 -7.062 3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.125 -6.429 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.097 -6.457 4.926 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.971 -7.789 4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.613 -7.947 1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.510 -9.378 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.979 -9.084 1.689 1.00 0.00 H new ATOM 753 N PHE A 82 -9.461 -9.869 6.633 1.00 0.00 N ATOM 754 CA PHE A 82 -10.636 -10.573 7.135 1.00 0.00 C ATOM 755 C PHE A 82 -11.480 -9.688 8.049 1.00 0.00 C ATOM 756 O PHE A 82 -12.628 -10.003 8.352 1.00 0.00 O ATOM 757 CB PHE A 82 -10.264 -11.875 7.849 1.00 0.00 C ATOM 758 CG PHE A 82 -10.257 -13.075 6.964 1.00 0.00 C ATOM 759 CD1 PHE A 82 -11.454 -13.669 6.615 1.00 0.00 C ATOM 760 CD2 PHE A 82 -9.085 -13.621 6.505 1.00 0.00 C ATOM 761 CE1 PHE A 82 -11.483 -14.795 5.820 1.00 0.00 C ATOM 762 CE2 PHE A 82 -9.102 -14.748 5.702 1.00 0.00 C ATOM 763 CZ PHE A 82 -10.303 -15.335 5.361 1.00 0.00 C ATOM 0 H PHE A 82 -8.570 -10.252 6.950 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.236 -10.829 6.262 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -9.277 -11.762 8.297 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -10.967 -12.043 8.665 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.382 -13.245 6.970 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.142 -13.168 6.772 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.427 -15.251 5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -8.174 -15.168 5.342 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.317 -16.216 4.736 1.00 0.00 H new ATOM 773 N ASP A 83 -10.891 -8.612 8.522 1.00 0.00 N ATOM 774 CA ASP A 83 -11.633 -7.596 9.255 1.00 0.00 C ATOM 775 C ASP A 83 -12.056 -6.459 8.326 1.00 0.00 C ATOM 776 O ASP A 83 -12.985 -5.706 8.629 1.00 0.00 O ATOM 777 CB ASP A 83 -10.782 -7.033 10.388 1.00 0.00 C ATOM 778 CG ASP A 83 -10.552 -8.007 11.522 1.00 0.00 C ATOM 779 OD1 ASP A 83 -11.459 -8.176 12.360 1.00 0.00 O ATOM 780 OD2 ASP A 83 -9.448 -8.584 11.596 1.00 0.00 O ATOM 0 H ASP A 83 -9.896 -8.413 8.414 1.00 0.00 H new ATOM 0 HA ASP A 83 -12.525 -8.065 9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.817 -6.724 9.986 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.264 -6.139 10.782 1.00 0.00 H new ATOM 785 N GLN A 84 -11.371 -6.344 7.193 1.00 0.00 N ATOM 786 CA GLN A 84 -11.564 -5.219 6.284 1.00 0.00 C ATOM 787 C GLN A 84 -11.469 -5.643 4.824 1.00 0.00 C ATOM 788 O GLN A 84 -10.368 -5.789 4.286 1.00 0.00 O ATOM 789 CB GLN A 84 -10.513 -4.133 6.529 1.00 0.00 C ATOM 790 CG GLN A 84 -10.834 -3.146 7.639 1.00 0.00 C ATOM 791 CD GLN A 84 -10.208 -3.518 8.954 1.00 0.00 C ATOM 792 OE1 GLN A 84 -10.776 -3.259 10.009 1.00 0.00 O ATOM 793 NE2 GLN A 84 -9.013 -4.090 8.899 1.00 0.00 N ATOM 0 H GLN A 84 -10.674 -7.020 6.881 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.564 -4.833 6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.564 -4.617 6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -10.369 -3.576 5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.490 -2.154 7.347 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.915 -3.085 7.762 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.582 -4.285 7.995 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.525 -4.335 9.760 1.00 0.00 H new ATOM 802 N GLY A 85 -12.605 -5.848 4.182 1.00 0.00 N ATOM 803 CA GLY A 85 -12.605 -5.998 2.743 1.00 0.00 C ATOM 804 C GLY A 85 -12.793 -7.424 2.270 1.00 0.00 C ATOM 805 O GLY A 85 -13.905 -7.819 1.919 1.00 0.00 O ATOM 0 H GLY A 85 -13.521 -5.913 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.399 -5.380 2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.663 -5.617 2.349 1.00 0.00 H new ATOM 809 N VAL A 86 -11.717 -8.205 2.256 1.00 0.00 N ATOM 810 CA VAL A 86 -11.754 -9.513 1.615 1.00 0.00 C ATOM 811 C VAL A 86 -11.747 -10.645 2.628 1.00 0.00 C ATOM 812 O VAL A 86 -11.027 -10.608 3.627 1.00 0.00 O ATOM 813 CB VAL A 86 -10.572 -9.717 0.637 1.00 0.00 C ATOM 814 CG1 VAL A 86 -10.530 -8.605 -0.398 1.00 0.00 C ATOM 815 CG2 VAL A 86 -9.239 -9.823 1.368 1.00 0.00 C ATOM 0 H VAL A 86 -10.820 -7.959 2.675 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.689 -9.537 1.056 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.737 -10.664 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.691 -8.769 -1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -11.460 -8.602 -0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.409 -7.645 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.437 -9.966 0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.060 -8.908 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.265 -10.672 2.052 1.00 0.00 H new ATOM 825 N LYS A 87 -12.553 -11.654 2.371 1.00 0.00 N ATOM 826 CA LYS A 87 -12.518 -12.860 3.167 1.00 0.00 C ATOM 827 C LYS A 87 -12.121 -14.008 2.264 1.00 0.00 C ATOM 828 O LYS A 87 -12.948 -14.832 1.881 1.00 0.00 O ATOM 829 CB LYS A 87 -13.885 -13.129 3.801 1.00 0.00 C ATOM 830 CG LYS A 87 -14.525 -11.891 4.395 1.00 0.00 C ATOM 831 CD LYS A 87 -13.749 -11.346 5.586 1.00 0.00 C ATOM 832 CE LYS A 87 -13.974 -9.850 5.726 1.00 0.00 C ATOM 833 NZ LYS A 87 -15.411 -9.505 5.906 1.00 0.00 N ATOM 0 H LYS A 87 -13.240 -11.662 1.617 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.795 -12.750 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.551 -13.548 3.047 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.774 -13.882 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.596 -11.120 3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.543 -12.126 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -14.065 -11.854 6.497 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.686 -11.550 5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.405 -9.478 6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.590 -9.343 4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.497 -8.501 6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -15.924 -9.679 5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.817 -10.093 6.661 1.00 0.00 H new ATOM 847 N THR A 88 -10.848 -14.046 1.912 1.00 0.00 N ATOM 848 CA THR A 88 -10.352 -15.066 1.019 1.00 0.00 C ATOM 849 C THR A 88 -9.495 -16.079 1.782 1.00 0.00 C ATOM 850 O THR A 88 -10.049 -16.976 2.423 1.00 0.00 O ATOM 851 CB THR A 88 -9.610 -14.458 -0.203 1.00 0.00 C ATOM 852 OG1 THR A 88 -8.889 -15.466 -0.918 1.00 0.00 O ATOM 853 CG2 THR A 88 -8.667 -13.329 0.205 1.00 0.00 C ATOM 0 H THR A 88 -10.144 -13.382 2.233 1.00 0.00 H new ATOM 0 HA THR A 88 -11.208 -15.604 0.611 1.00 0.00 H new ATOM 0 HB THR A 88 -10.372 -14.036 -0.859 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.432 -15.060 -1.684 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.169 -12.933 -0.680 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.237 -12.535 0.687 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.920 -13.712 0.900 1.00 0.00 H new ATOM 861 N ASP A 89 -8.171 -15.932 1.755 1.00 0.00 N ATOM 862 CA ASP A 89 -7.302 -16.849 2.480 1.00 0.00 C ATOM 863 C ASP A 89 -5.830 -16.479 2.384 1.00 0.00 C ATOM 864 O ASP A 89 -5.301 -16.224 1.300 1.00 0.00 O ATOM 865 CB ASP A 89 -7.500 -18.275 1.956 1.00 0.00 C ATOM 866 CG ASP A 89 -6.369 -19.213 2.324 1.00 0.00 C ATOM 867 OD1 ASP A 89 -6.312 -19.665 3.483 1.00 0.00 O ATOM 868 OD2 ASP A 89 -5.545 -19.516 1.442 1.00 0.00 O ATOM 0 H ASP A 89 -7.684 -15.195 1.245 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.584 -16.782 3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.435 -18.673 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.599 -18.245 0.871 1.00 0.00 H new ATOM 873 N GLY A 90 -5.201 -16.414 3.546 1.00 0.00 N ATOM 874 CA GLY A 90 -3.752 -16.454 3.630 1.00 0.00 C ATOM 875 C GLY A 90 -3.080 -15.120 3.405 1.00 0.00 C ATOM 876 O GLY A 90 -3.420 -14.125 4.045 1.00 0.00 O ATOM 0 H GLY A 90 -5.674 -16.333 4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.467 -16.830 4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.376 -17.166 2.895 1.00 0.00 H new ATOM 880 N THR A 91 -2.101 -15.122 2.512 1.00 0.00 N ATOM 881 CA THR A 91 -1.320 -13.939 2.206 1.00 0.00 C ATOM 882 C THR A 91 -1.647 -13.424 0.810 1.00 0.00 C ATOM 883 O THR A 91 -1.541 -14.159 -0.171 1.00 0.00 O ATOM 884 CB THR A 91 0.189 -14.254 2.295 1.00 0.00 C ATOM 885 OG1 THR A 91 0.518 -14.699 3.620 1.00 0.00 O ATOM 886 CG2 THR A 91 1.040 -13.041 1.930 1.00 0.00 C ATOM 0 H THR A 91 -1.828 -15.948 1.979 1.00 0.00 H new ATOM 0 HA THR A 91 -1.573 -13.170 2.936 1.00 0.00 H new ATOM 0 HB THR A 91 0.408 -15.044 1.577 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.476 -14.899 3.669 1.00 0.00 H new ATOM 0 HG21 THR A 91 2.096 -13.302 2.004 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.814 -12.731 0.910 1.00 0.00 H new ATOM 0 HG23 THR A 91 0.819 -12.222 2.615 1.00 0.00 H new ATOM 894 N VAL A 92 -2.067 -12.172 0.723 1.00 0.00 N ATOM 895 CA VAL A 92 -2.298 -11.541 -0.568 1.00 0.00 C ATOM 896 C VAL A 92 -1.162 -10.587 -0.882 1.00 0.00 C ATOM 897 O VAL A 92 -0.424 -10.175 0.012 1.00 0.00 O ATOM 898 CB VAL A 92 -3.626 -10.761 -0.624 1.00 0.00 C ATOM 899 CG1 VAL A 92 -4.785 -11.656 -0.236 1.00 0.00 C ATOM 900 CG2 VAL A 92 -3.575 -9.517 0.249 1.00 0.00 C ATOM 0 H VAL A 92 -2.255 -11.574 1.528 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.351 -12.343 -1.304 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.780 -10.430 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.714 -11.088 -0.281 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.841 -12.499 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.635 -12.026 0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.527 -8.990 0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.387 -9.806 1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.775 -8.863 -0.096 1.00 0.00 H new ATOM 910 N GLN A 93 -1.036 -10.230 -2.143 1.00 0.00 N ATOM 911 CA GLN A 93 -0.029 -9.287 -2.571 1.00 0.00 C ATOM 912 C GLN A 93 -0.697 -7.928 -2.742 1.00 0.00 C ATOM 913 O GLN A 93 -1.649 -7.786 -3.508 1.00 0.00 O ATOM 914 CB GLN A 93 0.621 -9.777 -3.871 1.00 0.00 C ATOM 915 CG GLN A 93 2.027 -9.241 -4.120 1.00 0.00 C ATOM 916 CD GLN A 93 2.047 -7.808 -4.608 1.00 0.00 C ATOM 917 OE1 GLN A 93 1.978 -7.544 -5.807 1.00 0.00 O ATOM 918 NE2 GLN A 93 2.168 -6.871 -3.687 1.00 0.00 N ATOM 0 H GLN A 93 -1.626 -10.584 -2.895 1.00 0.00 H new ATOM 0 HA GLN A 93 0.766 -9.197 -1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 93 0.659 -10.866 -3.854 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.015 -9.493 -4.709 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.603 -9.311 -3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.524 -9.874 -4.855 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.222 -7.129 -2.702 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.207 -5.889 -3.960 1.00 0.00 H new ATOM 927 N LEU A 94 -0.202 -6.948 -2.003 1.00 0.00 N ATOM 928 CA LEU A 94 -0.811 -5.628 -1.958 1.00 0.00 C ATOM 929 C LEU A 94 -0.064 -4.654 -2.851 1.00 0.00 C ATOM 930 O LEU A 94 1.114 -4.369 -2.618 1.00 0.00 O ATOM 931 CB LEU A 94 -0.827 -5.058 -0.532 1.00 0.00 C ATOM 932 CG LEU A 94 -1.633 -5.835 0.513 1.00 0.00 C ATOM 933 CD1 LEU A 94 -2.926 -6.368 -0.067 1.00 0.00 C ATOM 934 CD2 LEU A 94 -0.804 -6.953 1.123 1.00 0.00 C ATOM 0 H LEU A 94 0.629 -7.044 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.836 -5.748 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.203 -4.987 -0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.219 -4.042 -0.577 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.894 -5.139 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.472 -6.914 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.535 -5.537 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.703 -7.037 -0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.401 -7.488 1.861 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.492 -7.644 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.077 -6.531 1.606 1.00 0.00 H new ATOM 946 N SER A 95 -0.734 -4.147 -3.871 1.00 0.00 N ATOM 947 CA SER A 95 -0.209 -3.004 -4.594 1.00 0.00 C ATOM 948 C SER A 95 -0.673 -1.742 -3.880 1.00 0.00 C ATOM 949 O SER A 95 -1.602 -1.054 -4.306 1.00 0.00 O ATOM 950 CB SER A 95 -0.662 -3.022 -6.055 1.00 0.00 C ATOM 951 OG SER A 95 -0.150 -4.164 -6.723 1.00 0.00 O ATOM 0 H SER A 95 -1.627 -4.502 -4.212 1.00 0.00 H new ATOM 0 HA SER A 95 0.880 -3.037 -4.608 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.751 -3.023 -6.104 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.322 -2.117 -6.558 1.00 0.00 H new ATOM 0 HG SER A 95 -0.854 -4.562 -7.277 1.00 0.00 H new ATOM 957 N VAL A 96 -0.029 -1.497 -2.753 1.00 0.00 N ATOM 958 CA VAL A 96 -0.354 -0.378 -1.882 1.00 0.00 C ATOM 959 C VAL A 96 0.426 0.891 -2.265 1.00 0.00 C ATOM 960 O VAL A 96 1.635 0.856 -2.497 1.00 0.00 O ATOM 961 CB VAL A 96 -0.133 -0.779 -0.399 1.00 0.00 C ATOM 962 CG1 VAL A 96 1.195 -1.503 -0.217 1.00 0.00 C ATOM 963 CG2 VAL A 96 -0.229 0.426 0.525 1.00 0.00 C ATOM 0 H VAL A 96 0.741 -2.073 -2.412 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.408 -0.134 -2.012 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.932 -1.468 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.322 -1.771 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.203 -2.407 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.011 -0.850 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.069 0.108 1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.530 1.158 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.217 0.877 0.434 1.00 0.00 H new ATOM 973 N GLN A 97 -0.308 1.997 -2.365 1.00 0.00 N ATOM 974 CA GLN A 97 0.228 3.283 -2.787 1.00 0.00 C ATOM 975 C GLN A 97 0.259 4.265 -1.627 1.00 0.00 C ATOM 976 O GLN A 97 -0.537 4.174 -0.701 1.00 0.00 O ATOM 977 CB GLN A 97 -0.632 3.896 -3.894 1.00 0.00 C ATOM 978 CG GLN A 97 -0.671 3.106 -5.183 1.00 0.00 C ATOM 979 CD GLN A 97 -0.899 3.984 -6.402 1.00 0.00 C ATOM 980 OE1 GLN A 97 0.045 4.435 -7.046 1.00 0.00 O ATOM 981 NE2 GLN A 97 -2.158 4.248 -6.718 1.00 0.00 N ATOM 0 H GLN A 97 -1.305 2.022 -2.152 1.00 0.00 H new ATOM 0 HA GLN A 97 1.239 3.102 -3.153 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.651 4.008 -3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.260 4.898 -4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.267 2.564 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.464 2.361 -5.124 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -2.917 3.856 -6.160 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.369 4.843 -7.519 1.00 0.00 H new ATOM 990 N VAL A 98 1.187 5.190 -1.681 1.00 0.00 N ATOM 991 CA VAL A 98 1.223 6.289 -0.735 1.00 0.00 C ATOM 992 C VAL A 98 0.485 7.494 -1.308 1.00 0.00 C ATOM 993 O VAL A 98 0.906 8.066 -2.318 1.00 0.00 O ATOM 994 CB VAL A 98 2.663 6.701 -0.426 1.00 0.00 C ATOM 995 CG1 VAL A 98 2.708 7.876 0.543 1.00 0.00 C ATOM 996 CG2 VAL A 98 3.462 5.531 0.112 1.00 0.00 C ATOM 0 H VAL A 98 1.935 5.206 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 98 0.742 5.953 0.184 1.00 0.00 H new ATOM 0 HB VAL A 98 3.120 7.022 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.746 8.144 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.190 8.729 0.105 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.220 7.596 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.482 5.853 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.000 5.166 1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.480 4.731 -0.629 1.00 0.00 H new ATOM 1006 N ILE A 99 -0.615 7.862 -0.676 1.00 0.00 N ATOM 1007 CA ILE A 99 -1.402 9.003 -1.109 1.00 0.00 C ATOM 1008 C ILE A 99 -1.273 10.167 -0.147 1.00 0.00 C ATOM 1009 O ILE A 99 -1.658 10.060 1.012 1.00 0.00 O ATOM 1010 CB ILE A 99 -2.909 8.707 -1.167 1.00 0.00 C ATOM 1011 CG1 ILE A 99 -3.211 7.333 -1.732 1.00 0.00 C ATOM 1012 CG2 ILE A 99 -3.604 9.771 -1.996 1.00 0.00 C ATOM 1013 CD1 ILE A 99 -4.672 6.962 -1.595 1.00 0.00 C ATOM 0 H ILE A 99 -0.986 7.383 0.145 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.011 9.236 -2.099 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.284 8.722 -0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.929 7.306 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.600 6.590 -1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.673 9.560 -2.037 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.444 10.749 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -3.195 9.770 -3.006 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.836 5.969 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.950 6.961 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -5.284 7.688 -2.131 1.00 0.00 H new ATOM 1025 N SER A 100 -0.734 11.262 -0.609 1.00 0.00 N ATOM 1026 CA SER A 100 -0.963 12.527 0.051 1.00 0.00 C ATOM 1027 C SER A 100 -1.296 13.569 -1.004 1.00 0.00 C ATOM 1028 O SER A 100 -0.410 14.208 -1.577 1.00 0.00 O ATOM 1029 CB SER A 100 0.249 12.930 0.898 1.00 0.00 C ATOM 1030 OG SER A 100 0.058 14.185 1.533 1.00 0.00 O ATOM 0 H SER A 100 -0.136 11.309 -1.434 1.00 0.00 H new ATOM 0 HA SER A 100 -1.804 12.443 0.740 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.434 12.166 1.653 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.135 12.975 0.265 1.00 0.00 H new ATOM 0 HG SER A 100 0.851 14.407 2.065 1.00 0.00 H new ATOM 1113 N PRO A 106 -2.744 11.758 4.366 1.00 0.00 N ATOM 1114 CA PRO A 106 -1.705 10.785 4.034 1.00 0.00 C ATOM 1115 C PRO A 106 -2.202 9.359 4.258 1.00 0.00 C ATOM 1116 O PRO A 106 -2.442 8.938 5.393 1.00 0.00 O ATOM 1117 CB PRO A 106 -0.558 11.115 5.000 1.00 0.00 C ATOM 1118 CG PRO A 106 -1.144 12.037 6.018 1.00 0.00 C ATOM 1119 CD PRO A 106 -2.264 12.756 5.328 1.00 0.00 C ATOM 0 HA PRO A 106 -1.403 10.841 2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -0.167 10.211 5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.273 11.587 4.476 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.510 11.482 6.882 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.396 12.740 6.384 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -3.046 13.053 6.027 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -1.918 13.663 4.832 1.00 0.00 H new ATOM 1127 N LYS A 107 -2.392 8.641 3.169 1.00 0.00 N ATOM 1128 CA LYS A 107 -2.904 7.281 3.221 1.00 0.00 C ATOM 1129 C LYS A 107 -2.023 6.323 2.448 1.00 0.00 C ATOM 1130 O LYS A 107 -1.458 6.683 1.429 1.00 0.00 O ATOM 1131 CB LYS A 107 -4.302 7.219 2.618 1.00 0.00 C ATOM 1132 CG LYS A 107 -5.382 7.844 3.473 1.00 0.00 C ATOM 1133 CD LYS A 107 -6.746 7.628 2.852 1.00 0.00 C ATOM 1134 CE LYS A 107 -6.992 8.528 1.657 1.00 0.00 C ATOM 1135 NZ LYS A 107 -8.436 8.563 1.301 1.00 0.00 N ATOM 0 H LYS A 107 -2.198 8.979 2.226 1.00 0.00 H new ATOM 0 HA LYS A 107 -2.923 6.989 4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.289 7.718 1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.559 6.176 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.359 7.410 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.192 8.912 3.585 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.840 6.587 2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.516 7.809 3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.645 9.537 1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.413 8.173 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -8.539 8.772 0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.867 7.640 1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.913 9.301 1.857 1.00 0.00 H new ATOM 1149 N LEU A 108 -1.909 5.103 2.936 1.00 0.00 N ATOM 1150 CA LEU A 108 -1.290 4.037 2.164 1.00 0.00 C ATOM 1151 C LEU A 108 -2.385 3.108 1.661 1.00 0.00 C ATOM 1152 O LEU A 108 -2.844 2.248 2.401 1.00 0.00 O ATOM 1153 CB LEU A 108 -0.303 3.233 3.028 1.00 0.00 C ATOM 1154 CG LEU A 108 1.053 3.884 3.345 1.00 0.00 C ATOM 1155 CD1 LEU A 108 1.169 5.277 2.756 1.00 0.00 C ATOM 1156 CD2 LEU A 108 1.274 3.924 4.847 1.00 0.00 C ATOM 0 H LEU A 108 -2.235 4.823 3.861 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.739 4.475 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.794 3.001 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.112 2.284 2.527 1.00 0.00 H new ATOM 0 HG LEU A 108 1.828 3.272 2.882 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.143 5.698 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.063 5.224 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.384 5.912 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.237 4.387 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.480 4.505 5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.263 2.909 5.243 1.00 0.00 H new ATOM 1168 N ASN A 109 -2.778 3.240 0.399 1.00 0.00 N ATOM 1169 CA ASN A 109 -3.920 2.468 -0.104 1.00 0.00 C ATOM 1170 C ASN A 109 -3.496 1.274 -0.914 1.00 0.00 C ATOM 1171 O ASN A 109 -2.738 1.386 -1.858 1.00 0.00 O ATOM 1172 CB ASN A 109 -4.884 3.285 -0.967 1.00 0.00 C ATOM 1173 CG ASN A 109 -4.227 3.965 -2.152 1.00 0.00 C ATOM 1174 OD1 ASN A 109 -3.038 4.256 -2.140 1.00 0.00 O ATOM 1175 ND2 ASN A 109 -5.014 4.246 -3.181 1.00 0.00 N ATOM 0 H ASN A 109 -2.339 3.857 -0.284 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.434 2.150 0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.675 2.629 -1.330 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.360 4.043 -0.344 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.633 4.721 -4.000 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.000 3.988 -3.154 1.00 0.00 H new ATOM 1182 N ILE A 110 -4.015 0.134 -0.552 1.00 0.00 N ATOM 1183 CA ILE A 110 -3.883 -1.037 -1.377 1.00 0.00 C ATOM 1184 C ILE A 110 -4.849 -0.944 -2.538 1.00 0.00 C ATOM 1185 O ILE A 110 -6.058 -0.900 -2.341 1.00 0.00 O ATOM 1186 CB ILE A 110 -4.195 -2.308 -0.586 1.00 0.00 C ATOM 1187 CG1 ILE A 110 -3.279 -2.397 0.633 1.00 0.00 C ATOM 1188 CG2 ILE A 110 -4.048 -3.523 -1.483 1.00 0.00 C ATOM 1189 CD1 ILE A 110 -3.748 -3.382 1.675 1.00 0.00 C ATOM 0 H ILE A 110 -4.536 -0.011 0.313 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.854 -1.086 -1.733 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.225 -2.276 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.278 -2.678 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -3.199 -1.410 1.089 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.272 -4.425 -0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.740 -3.442 -2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.027 -3.576 -1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -3.047 -3.390 2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -4.736 -3.091 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.801 -4.378 1.236 1.00 0.00 H new ATOM 1201 N LEU A 111 -4.327 -0.916 -3.741 1.00 0.00 N ATOM 1202 CA LEU A 111 -5.178 -0.835 -4.907 1.00 0.00 C ATOM 1203 C LEU A 111 -5.449 -2.223 -5.439 1.00 0.00 C ATOM 1204 O LEU A 111 -6.290 -2.403 -6.320 1.00 0.00 O ATOM 1205 CB LEU A 111 -4.552 0.013 -6.019 1.00 0.00 C ATOM 1206 CG LEU A 111 -4.559 1.517 -5.778 1.00 0.00 C ATOM 1207 CD1 LEU A 111 -5.947 1.990 -5.393 1.00 0.00 C ATOM 1208 CD2 LEU A 111 -3.562 1.879 -4.708 1.00 0.00 C ATOM 0 H LEU A 111 -3.327 -0.948 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 111 -6.107 -0.356 -4.599 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.521 -0.310 -6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -5.082 -0.191 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.273 2.017 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.931 3.067 -5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.646 1.758 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -6.263 1.485 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.577 2.957 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.822 1.369 -3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -2.564 1.574 -5.022 1.00 0.00 H new ATOM 1220 N GLU A 112 -4.758 -3.213 -4.890 1.00 0.00 N ATOM 1221 CA GLU A 112 -4.757 -4.516 -5.496 1.00 0.00 C ATOM 1222 C GLU A 112 -4.489 -5.583 -4.462 1.00 0.00 C ATOM 1223 O GLU A 112 -3.436 -5.596 -3.829 1.00 0.00 O ATOM 1224 CB GLU A 112 -3.702 -4.550 -6.596 1.00 0.00 C ATOM 1225 CG GLU A 112 -3.578 -5.882 -7.295 1.00 0.00 C ATOM 1226 CD GLU A 112 -2.654 -5.798 -8.486 1.00 0.00 C ATOM 1227 OE1 GLU A 112 -1.431 -5.980 -8.315 1.00 0.00 O ATOM 1228 OE2 GLU A 112 -3.145 -5.520 -9.603 1.00 0.00 O ATOM 0 H GLU A 112 -4.202 -3.131 -4.039 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.737 -4.716 -5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -3.940 -3.785 -7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -2.736 -4.287 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.203 -6.628 -6.594 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -4.563 -6.216 -7.620 1.00 0.00 H new ATOM 1235 N ILE A 113 -5.466 -6.444 -4.277 1.00 0.00 N ATOM 1236 CA ILE A 113 -5.330 -7.572 -3.391 1.00 0.00 C ATOM 1237 C ILE A 113 -5.382 -8.850 -4.192 1.00 0.00 C ATOM 1238 O ILE A 113 -6.386 -9.130 -4.845 1.00 0.00 O ATOM 1239 CB ILE A 113 -6.439 -7.600 -2.325 1.00 0.00 C ATOM 1240 CG1 ILE A 113 -6.222 -6.483 -1.313 1.00 0.00 C ATOM 1241 CG2 ILE A 113 -6.489 -8.952 -1.633 1.00 0.00 C ATOM 1242 CD1 ILE A 113 -7.120 -6.601 -0.113 1.00 0.00 C ATOM 0 H ILE A 113 -6.374 -6.379 -4.737 1.00 0.00 H new ATOM 0 HA ILE A 113 -4.372 -7.479 -2.880 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.398 -7.441 -2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -5.182 -6.493 -0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -6.395 -5.522 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -7.280 -8.948 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -6.690 -9.730 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -5.532 -9.149 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -6.920 -5.778 0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -8.161 -6.562 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -6.930 -7.548 0.392 1.00 0.00 H new ATOM 1254 N VAL A 114 -4.308 -9.614 -4.164 1.00 0.00 N ATOM 1255 CA VAL A 114 -4.290 -10.888 -4.841 1.00 0.00 C ATOM 1256 C VAL A 114 -3.684 -11.960 -3.945 1.00 0.00 C ATOM 1257 O VAL A 114 -2.489 -11.950 -3.669 1.00 0.00 O ATOM 1258 CB VAL A 114 -3.530 -10.814 -6.184 1.00 0.00 C ATOM 1259 CG1 VAL A 114 -4.371 -10.114 -7.243 1.00 0.00 C ATOM 1260 CG2 VAL A 114 -2.193 -10.101 -6.014 1.00 0.00 C ATOM 0 H VAL A 114 -3.442 -9.373 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 114 -5.323 -11.155 -5.063 1.00 0.00 H new ATOM 0 HB VAL A 114 -3.336 -11.834 -6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -3.816 -10.073 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -5.299 -10.666 -7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -4.601 -9.101 -6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.677 -10.062 -6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -2.365 -9.087 -5.653 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.580 -10.644 -5.294 1.00 0.00 H new ATOM 1270 N LYS A 115 -4.533 -12.862 -3.463 1.00 0.00 N ATOM 1271 CA LYS A 115 -4.079 -13.915 -2.580 1.00 0.00 C ATOM 1272 C LYS A 115 -3.148 -14.837 -3.326 1.00 0.00 C ATOM 1273 O LYS A 115 -3.477 -15.361 -4.395 1.00 0.00 O ATOM 1274 CB LYS A 115 -5.231 -14.708 -1.939 1.00 0.00 C ATOM 1275 CG LYS A 115 -5.996 -15.607 -2.893 1.00 0.00 C ATOM 1276 CD LYS A 115 -6.426 -16.899 -2.214 1.00 0.00 C ATOM 1277 CE LYS A 115 -5.223 -17.752 -1.830 1.00 0.00 C ATOM 1278 NZ LYS A 115 -5.617 -19.033 -1.186 1.00 0.00 N ATOM 0 H LYS A 115 -5.531 -12.880 -3.671 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.547 -13.438 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.827 -15.319 -1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.930 -14.004 -1.487 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.874 -15.080 -3.266 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.372 -15.838 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -7.009 -16.667 -1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.076 -17.464 -2.882 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.632 -17.964 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.584 -17.188 -1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.271 -19.050 -0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -6.653 -19.118 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.203 -19.828 -1.713 1.00 0.00 H new ATOM 1292 N THR A 116 -1.985 -14.990 -2.746 1.00 0.00 N ATOM 1293 CA THR A 116 -0.902 -15.753 -3.322 1.00 0.00 C ATOM 1294 C THR A 116 -0.373 -15.092 -4.598 1.00 0.00 C ATOM 1295 O THR A 116 0.690 -14.464 -4.588 1.00 0.00 O ATOM 1296 CB THR A 116 -1.324 -17.201 -3.609 1.00 0.00 C ATOM 1297 OG1 THR A 116 -1.897 -17.796 -2.433 1.00 0.00 O ATOM 1298 CG2 THR A 116 -0.121 -17.988 -4.054 1.00 0.00 C ATOM 0 H THR A 116 -1.757 -14.580 -1.840 1.00 0.00 H new ATOM 0 HA THR A 116 -0.098 -15.773 -2.586 1.00 0.00 H new ATOM 0 HB THR A 116 -2.076 -17.208 -4.398 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.163 -18.718 -2.630 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.415 -19.017 -4.259 1.00 0.00 H new ATOM 0 HG22 THR A 116 0.292 -17.541 -4.959 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.633 -17.976 -3.267 1.00 0.00 H new