USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 892 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 85 HIS : no HD1:sc= -0.38! C(o=-0.38!,f=-4.9!) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 14 HIS : no HE2:sc= -4.59! X(o=-3.8!,f=-3.6) USER MOD Set 2.2: A 82 TYR OH : rot 81:sc= 0.774 USER MOD Set 3.1: A 37 ASN : amide:sc= 1.12 K(o=2.1,f=0.79) USER MOD Set 3.2: A 106 THR OG1 : rot -16:sc= 0.971 USER MOD Set 4.1: A 24 CYS SG : rot 24:sc= 1.43 USER MOD Set 4.2: A 83 HIS : no HE2:sc= 0.607 K(o=2,f=-3!) USER MOD Single : A 1 MET CE :methyl 143:sc= -0.0914 (180deg=-1.72) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.69 (180deg=1.62) USER MOD Single : A 2 LYS NZ :NH3+ -174:sc= 1.02 (180deg=0.943) USER MOD Single : A 3 THR OG1 : rot 88:sc= 0.671 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.93 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.857 F(o=-2.3!,f=-0.86) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 1.11 K(o=1.1,f=-1.3!) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0829 F(o=-1.4!,f=-0.083) USER MOD Single : A 84 SER OG : rot 30:sc= 0.0493 USER MOD Single : A 88 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.2!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot -14:sc= 0.337 USER MOD Single : A 111 SER OG : rot 128:sc= 1.22 USER MOD Single : A 121 THR OG1 : rot -8:sc= 0.815 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.322 -7.569 5.268 1.00 0.00 N ATOM 2 CA MET A 1 -8.516 -7.110 4.118 1.00 0.00 C ATOM 3 C MET A 1 -8.670 -8.096 2.968 1.00 0.00 C ATOM 4 O MET A 1 -8.633 -9.308 3.179 1.00 0.00 O ATOM 5 CB MET A 1 -7.048 -6.962 4.533 1.00 0.00 C ATOM 6 CG MET A 1 -6.180 -6.219 3.529 1.00 0.00 C ATOM 7 SD MET A 1 -5.653 -7.248 2.148 1.00 0.00 S ATOM 8 CE MET A 1 -4.550 -6.122 1.299 1.00 0.00 C ATOM 0 H1 MET A 1 -9.153 -6.944 6.082 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.331 -7.544 5.017 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.051 -8.542 5.516 1.00 0.00 H new ATOM 0 HA MET A 1 -8.868 -6.134 3.785 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.005 -6.439 5.488 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.627 -7.955 4.693 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.733 -5.362 3.145 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.300 -5.828 4.039 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.703 -6.677 0.897 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.085 -5.634 0.484 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.190 -5.368 1.999 1.00 0.00 H new ATOM 20 N LYS A 2 -8.868 -7.582 1.758 1.00 0.00 N ATOM 21 CA LYS A 2 -9.070 -8.439 0.595 1.00 0.00 C ATOM 22 C LYS A 2 -8.115 -8.091 -0.537 1.00 0.00 C ATOM 23 O LYS A 2 -8.119 -6.970 -1.050 1.00 0.00 O ATOM 24 CB LYS A 2 -10.513 -8.372 0.084 1.00 0.00 C ATOM 25 CG LYS A 2 -11.487 -9.257 0.844 1.00 0.00 C ATOM 26 CD LYS A 2 -12.110 -8.541 2.031 1.00 0.00 C ATOM 27 CE LYS A 2 -13.088 -9.440 2.779 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.791 -8.718 3.877 1.00 0.00 N ATOM 0 H LYS A 2 -8.893 -6.582 1.558 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.862 -9.456 0.927 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.858 -7.340 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.527 -8.656 -0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.275 -9.590 0.169 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.968 -10.150 1.192 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.324 -8.212 2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.628 -7.646 1.686 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.823 -9.836 2.078 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.550 -10.293 3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.368 -9.391 4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.091 -8.275 4.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.406 -7.984 3.472 1.00 0.00 H new ATOM 42 N THR A 3 -7.299 -9.059 -0.908 1.00 0.00 N ATOM 43 CA THR A 3 -6.411 -8.929 -2.045 1.00 0.00 C ATOM 44 C THR A 3 -6.006 -10.321 -2.526 1.00 0.00 C ATOM 45 O THR A 3 -6.350 -11.326 -1.895 1.00 0.00 O ATOM 46 CB THR A 3 -5.156 -8.084 -1.711 1.00 0.00 C ATOM 47 OG1 THR A 3 -4.526 -7.645 -2.922 1.00 0.00 O ATOM 48 CG2 THR A 3 -4.156 -8.877 -0.884 1.00 0.00 C ATOM 0 H THR A 3 -7.234 -9.957 -0.429 1.00 0.00 H new ATOM 0 HA THR A 3 -6.945 -8.403 -2.837 1.00 0.00 H new ATOM 0 HB THR A 3 -5.481 -7.223 -1.127 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.924 -6.797 -3.209 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.288 -8.254 -0.668 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.622 -9.187 0.051 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.840 -9.758 -1.442 1.00 0.00 H new ATOM 56 N THR A 4 -5.296 -10.385 -3.637 1.00 0.00 N ATOM 57 CA THR A 4 -4.853 -11.655 -4.183 1.00 0.00 C ATOM 58 C THR A 4 -3.410 -11.945 -3.773 1.00 0.00 C ATOM 59 O THR A 4 -2.630 -11.023 -3.525 1.00 0.00 O ATOM 60 CB THR A 4 -4.972 -11.669 -5.719 1.00 0.00 C ATOM 61 OG1 THR A 4 -4.347 -10.503 -6.275 1.00 0.00 O ATOM 62 CG2 THR A 4 -6.430 -11.719 -6.147 1.00 0.00 C ATOM 0 H THR A 4 -5.013 -9.570 -4.181 1.00 0.00 H new ATOM 0 HA THR A 4 -5.500 -12.433 -3.777 1.00 0.00 H new ATOM 0 HB THR A 4 -4.467 -12.561 -6.090 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.427 -10.523 -7.252 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.490 -11.728 -7.235 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.895 -12.622 -5.751 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.952 -10.843 -5.762 1.00 0.00 H new ATOM 70 N PRO A 5 -3.046 -13.237 -3.678 1.00 0.00 N ATOM 71 CA PRO A 5 -1.678 -13.661 -3.359 1.00 0.00 C ATOM 72 C PRO A 5 -0.663 -13.067 -4.332 1.00 0.00 C ATOM 73 O PRO A 5 0.496 -12.837 -3.985 1.00 0.00 O ATOM 74 CB PRO A 5 -1.723 -15.189 -3.502 1.00 0.00 C ATOM 75 CG PRO A 5 -2.995 -15.487 -4.223 1.00 0.00 C ATOM 76 CD PRO A 5 -3.942 -14.386 -3.858 1.00 0.00 C ATOM 0 HA PRO A 5 -1.368 -13.330 -2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.861 -15.556 -4.059 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.702 -15.675 -2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.834 -15.522 -5.300 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.393 -16.458 -3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.677 -14.207 -4.643 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.496 -14.614 -2.948 1.00 0.00 H new ATOM 84 N ASP A 6 -1.124 -12.823 -5.553 1.00 0.00 N ATOM 85 CA ASP A 6 -0.317 -12.184 -6.585 1.00 0.00 C ATOM 86 C ASP A 6 0.162 -10.812 -6.122 1.00 0.00 C ATOM 87 O ASP A 6 1.336 -10.467 -6.273 1.00 0.00 O ATOM 88 CB ASP A 6 -1.137 -12.044 -7.859 1.00 0.00 C ATOM 89 CG ASP A 6 -0.347 -11.453 -9.006 1.00 0.00 C ATOM 90 OD1 ASP A 6 0.344 -12.218 -9.709 1.00 0.00 O ATOM 91 OD2 ASP A 6 -0.425 -10.228 -9.218 1.00 0.00 O ATOM 0 H ASP A 6 -2.068 -13.063 -5.855 1.00 0.00 H new ATOM 0 HA ASP A 6 0.557 -12.805 -6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.515 -13.024 -8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.004 -11.415 -7.659 1.00 0.00 H new ATOM 96 N ILE A 7 -0.754 -10.042 -5.544 1.00 0.00 N ATOM 97 CA ILE A 7 -0.426 -8.731 -4.997 1.00 0.00 C ATOM 98 C ILE A 7 0.544 -8.873 -3.830 1.00 0.00 C ATOM 99 O ILE A 7 1.526 -8.141 -3.736 1.00 0.00 O ATOM 100 CB ILE A 7 -1.695 -7.984 -4.522 1.00 0.00 C ATOM 101 CG1 ILE A 7 -2.674 -7.787 -5.682 1.00 0.00 C ATOM 102 CG2 ILE A 7 -1.332 -6.642 -3.896 1.00 0.00 C ATOM 103 CD1 ILE A 7 -2.139 -6.918 -6.801 1.00 0.00 C ATOM 0 H ILE A 7 -1.734 -10.305 -5.442 1.00 0.00 H new ATOM 0 HA ILE A 7 0.040 -8.150 -5.793 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.181 -8.595 -3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.939 -8.763 -6.089 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.592 -7.342 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.240 -6.135 -3.570 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.679 -6.805 -3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.817 -6.025 -4.632 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.892 -6.828 -7.584 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.901 -5.928 -6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.238 -7.371 -7.215 1.00 0.00 H new ATOM 115 N LEU A 8 0.271 -9.840 -2.959 1.00 0.00 N ATOM 116 CA LEU A 8 1.121 -10.098 -1.800 1.00 0.00 C ATOM 117 C LEU A 8 2.556 -10.378 -2.230 1.00 0.00 C ATOM 118 O LEU A 8 3.507 -9.894 -1.614 1.00 0.00 O ATOM 119 CB LEU A 8 0.583 -11.285 -1.001 1.00 0.00 C ATOM 120 CG LEU A 8 -0.806 -11.087 -0.395 1.00 0.00 C ATOM 121 CD1 LEU A 8 -1.274 -12.363 0.289 1.00 0.00 C ATOM 122 CD2 LEU A 8 -0.798 -9.925 0.589 1.00 0.00 C ATOM 0 H LEU A 8 -0.535 -10.460 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 8 1.112 -9.208 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.556 -12.158 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.284 -11.509 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.503 -10.851 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.265 -12.205 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.318 -13.172 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.575 -12.628 1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.795 -9.798 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.089 -10.132 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.505 -9.012 0.071 1.00 0.00 H new ATOM 134 N ASP A 9 2.701 -11.157 -3.294 1.00 0.00 N ATOM 135 CA ASP A 9 4.014 -11.471 -3.842 1.00 0.00 C ATOM 136 C ASP A 9 4.692 -10.209 -4.354 1.00 0.00 C ATOM 137 O ASP A 9 5.870 -9.971 -4.091 1.00 0.00 O ATOM 138 CB ASP A 9 3.896 -12.482 -4.976 1.00 0.00 C ATOM 139 CG ASP A 9 5.246 -12.867 -5.539 1.00 0.00 C ATOM 140 OD1 ASP A 9 6.020 -13.545 -4.830 1.00 0.00 O ATOM 141 OD2 ASP A 9 5.536 -12.507 -6.693 1.00 0.00 O ATOM 0 H ASP A 9 1.923 -11.584 -3.796 1.00 0.00 H new ATOM 0 HA ASP A 9 4.618 -11.903 -3.044 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.387 -13.375 -4.613 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.278 -12.064 -5.771 1.00 0.00 H new ATOM 146 N GLN A 10 3.937 -9.401 -5.077 1.00 0.00 N ATOM 147 CA GLN A 10 4.440 -8.128 -5.570 1.00 0.00 C ATOM 148 C GLN A 10 4.938 -7.252 -4.422 1.00 0.00 C ATOM 149 O GLN A 10 5.935 -6.551 -4.564 1.00 0.00 O ATOM 150 CB GLN A 10 3.362 -7.393 -6.365 1.00 0.00 C ATOM 151 CG GLN A 10 3.032 -8.059 -7.688 1.00 0.00 C ATOM 152 CD GLN A 10 1.960 -7.320 -8.464 1.00 0.00 C ATOM 153 OE1 GLN A 10 0.717 -7.730 -8.285 1.00 0.00 O flip ATOM 154 NE2 GLN A 10 2.248 -6.403 -9.233 1.00 0.00 N flip ATOM 0 H GLN A 10 2.972 -9.603 -5.337 1.00 0.00 H new ATOM 0 HA GLN A 10 5.281 -8.336 -6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.456 -7.329 -5.762 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.692 -6.371 -6.553 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.936 -8.121 -8.294 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.701 -9.081 -7.503 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.221 -6.116 -9.343 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.514 -5.930 -9.760 1.00 0.00 H new ATOM 163 N ILE A 11 4.257 -7.310 -3.280 1.00 0.00 N ATOM 164 CA ILE A 11 4.649 -6.518 -2.115 1.00 0.00 C ATOM 165 C ILE A 11 6.012 -6.956 -1.578 1.00 0.00 C ATOM 166 O ILE A 11 6.902 -6.128 -1.383 1.00 0.00 O ATOM 167 CB ILE A 11 3.601 -6.619 -0.980 1.00 0.00 C ATOM 168 CG1 ILE A 11 2.238 -6.120 -1.467 1.00 0.00 C ATOM 169 CG2 ILE A 11 4.051 -5.824 0.237 1.00 0.00 C ATOM 170 CD1 ILE A 11 1.132 -6.276 -0.447 1.00 0.00 C ATOM 0 H ILE A 11 3.434 -7.895 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 11 4.711 -5.482 -2.449 1.00 0.00 H new ATOM 0 HB ILE A 11 3.507 -7.666 -0.692 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.323 -5.068 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.965 -6.663 -2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.301 -5.907 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.001 -6.218 0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.174 -4.776 -0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.197 -5.901 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.019 -7.330 -0.192 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.382 -5.710 0.450 1.00 0.00 H new ATOM 182 N ARG A 12 6.184 -8.259 -1.369 1.00 0.00 N ATOM 183 CA ARG A 12 7.437 -8.785 -0.825 1.00 0.00 C ATOM 184 C ARG A 12 8.599 -8.571 -1.798 1.00 0.00 C ATOM 185 O ARG A 12 9.714 -8.261 -1.380 1.00 0.00 O ATOM 186 CB ARG A 12 7.295 -10.266 -0.425 1.00 0.00 C ATOM 187 CG ARG A 12 6.639 -11.147 -1.478 1.00 0.00 C ATOM 188 CD ARG A 12 7.651 -11.950 -2.278 1.00 0.00 C ATOM 189 NE ARG A 12 8.210 -13.056 -1.504 1.00 0.00 N ATOM 190 CZ ARG A 12 7.996 -14.342 -1.778 1.00 0.00 C ATOM 191 NH1 ARG A 12 7.245 -14.698 -2.812 1.00 0.00 N ATOM 192 NH2 ARG A 12 8.541 -15.279 -1.020 1.00 0.00 N ATOM 0 H ARG A 12 5.477 -8.968 -1.566 1.00 0.00 H new ATOM 0 HA ARG A 12 7.666 -8.225 0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.285 -10.665 -0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.712 -10.326 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.941 -11.829 -0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.056 -10.524 -2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.174 -12.341 -3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.457 -11.293 -2.605 1.00 0.00 H new ATOM 0 HE ARG A 12 8.801 -12.829 -0.704 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.825 -13.984 -3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.088 -15.686 -3.012 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.125 -15.017 -0.226 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.377 -16.264 -1.230 1.00 0.00 H new ATOM 206 N VAL A 13 8.332 -8.702 -3.093 1.00 0.00 N ATOM 207 CA VAL A 13 9.351 -8.448 -4.107 1.00 0.00 C ATOM 208 C VAL A 13 9.684 -6.957 -4.166 1.00 0.00 C ATOM 209 O VAL A 13 10.852 -6.570 -4.214 1.00 0.00 O ATOM 210 CB VAL A 13 8.908 -8.931 -5.505 1.00 0.00 C ATOM 211 CG1 VAL A 13 9.966 -8.606 -6.550 1.00 0.00 C ATOM 212 CG2 VAL A 13 8.629 -10.424 -5.487 1.00 0.00 C ATOM 0 H VAL A 13 7.424 -8.981 -3.465 1.00 0.00 H new ATOM 0 HA VAL A 13 10.238 -9.013 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 13 7.990 -8.406 -5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.632 -8.956 -7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.124 -7.528 -6.585 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.901 -9.101 -6.288 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.318 -10.748 -6.480 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.533 -10.960 -5.197 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.836 -10.637 -4.771 1.00 0.00 H new ATOM 222 N HIS A 14 8.646 -6.125 -4.139 1.00 0.00 N ATOM 223 CA HIS A 14 8.808 -4.676 -4.186 1.00 0.00 C ATOM 224 C HIS A 14 9.579 -4.189 -2.961 1.00 0.00 C ATOM 225 O HIS A 14 10.322 -3.208 -3.030 1.00 0.00 O ATOM 226 CB HIS A 14 7.435 -3.997 -4.255 1.00 0.00 C ATOM 227 CG HIS A 14 7.472 -2.574 -4.717 1.00 0.00 C ATOM 228 ND1 HIS A 14 7.122 -1.508 -3.916 1.00 0.00 N ATOM 229 CD2 HIS A 14 7.792 -2.045 -5.921 1.00 0.00 C ATOM 230 CE1 HIS A 14 7.225 -0.391 -4.609 1.00 0.00 C ATOM 231 NE2 HIS A 14 7.628 -0.688 -5.826 1.00 0.00 N ATOM 0 H HIS A 14 7.676 -6.434 -4.084 1.00 0.00 H new ATOM 0 HA HIS A 14 9.376 -4.414 -5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.794 -4.568 -4.927 1.00 0.00 H new ATOM 0 HB3 HIS A 14 6.975 -4.034 -3.268 1.00 0.00 H new ATOM 0 HD1 HIS A 14 6.829 -1.573 -2.941 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.116 -2.591 -6.794 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.014 0.602 -4.240 1.00 0.00 H new ATOM 240 N GLY A 15 9.398 -4.889 -1.845 1.00 0.00 N ATOM 241 CA GLY A 15 10.115 -4.562 -0.628 1.00 0.00 C ATOM 242 C GLY A 15 11.602 -4.825 -0.749 1.00 0.00 C ATOM 243 O GLY A 15 12.418 -4.055 -0.244 1.00 0.00 O ATOM 0 H GLY A 15 8.762 -5.682 -1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.953 -3.512 -0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.711 -5.147 0.198 1.00 0.00 H new ATOM 247 N ALA A 16 11.956 -5.907 -1.434 1.00 0.00 N ATOM 248 CA ALA A 16 13.358 -6.251 -1.640 1.00 0.00 C ATOM 249 C ALA A 16 13.988 -5.299 -2.651 1.00 0.00 C ATOM 250 O ALA A 16 15.165 -4.953 -2.547 1.00 0.00 O ATOM 251 CB ALA A 16 13.489 -7.693 -2.108 1.00 0.00 C ATOM 0 H ALA A 16 11.294 -6.559 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 16 13.886 -6.151 -0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.542 -7.933 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.068 -8.359 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.951 -7.821 -3.048 1.00 0.00 H new ATOM 257 N ASP A 17 13.184 -4.887 -3.623 1.00 0.00 N ATOM 258 CA ASP A 17 13.601 -3.919 -4.636 1.00 0.00 C ATOM 259 C ASP A 17 13.917 -2.573 -4.008 1.00 0.00 C ATOM 260 O ASP A 17 14.861 -1.888 -4.407 1.00 0.00 O ATOM 261 CB ASP A 17 12.477 -3.738 -5.645 1.00 0.00 C ATOM 262 CG ASP A 17 12.766 -2.657 -6.672 1.00 0.00 C ATOM 263 OD1 ASP A 17 13.559 -2.904 -7.604 1.00 0.00 O ATOM 264 OD2 ASP A 17 12.193 -1.552 -6.552 1.00 0.00 O ATOM 0 H ASP A 17 12.224 -5.213 -3.733 1.00 0.00 H new ATOM 0 HA ASP A 17 14.499 -4.297 -5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.304 -4.683 -6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.557 -3.490 -5.115 1.00 0.00 H new ATOM 269 N ALA A 18 13.110 -2.212 -3.025 1.00 0.00 N ATOM 270 CA ALA A 18 13.266 -0.947 -2.316 1.00 0.00 C ATOM 271 C ALA A 18 14.602 -0.880 -1.590 1.00 0.00 C ATOM 272 O ALA A 18 15.303 0.131 -1.651 1.00 0.00 O ATOM 273 CB ALA A 18 12.125 -0.756 -1.334 1.00 0.00 C ATOM 0 H ALA A 18 12.331 -2.782 -2.695 1.00 0.00 H new ATOM 0 HA ALA A 18 13.244 -0.143 -3.052 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.251 0.191 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.178 -0.749 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.126 -1.573 -0.612 1.00 0.00 H new ATOM 279 N TYR A 19 14.950 -1.968 -0.913 1.00 0.00 N ATOM 280 CA TYR A 19 16.188 -2.037 -0.152 1.00 0.00 C ATOM 281 C TYR A 19 17.403 -2.005 -1.077 1.00 0.00 C ATOM 282 O TYR A 19 17.295 -2.314 -2.267 1.00 0.00 O ATOM 283 CB TYR A 19 16.203 -3.292 0.727 1.00 0.00 C ATOM 284 CG TYR A 19 15.519 -3.097 2.068 1.00 0.00 C ATOM 285 CD1 TYR A 19 14.147 -2.904 2.153 1.00 0.00 C ATOM 286 CD2 TYR A 19 16.255 -3.106 3.248 1.00 0.00 C ATOM 287 CE1 TYR A 19 13.527 -2.725 3.376 1.00 0.00 C ATOM 288 CE2 TYR A 19 15.641 -2.929 4.473 1.00 0.00 C ATOM 289 CZ TYR A 19 14.277 -2.739 4.532 1.00 0.00 C ATOM 290 OH TYR A 19 13.663 -2.565 5.749 1.00 0.00 O ATOM 0 H TYR A 19 14.387 -2.818 -0.877 1.00 0.00 H new ATOM 0 HA TYR A 19 16.241 -1.162 0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 19 15.714 -4.106 0.193 1.00 0.00 H new ATOM 0 HB3 TYR A 19 17.236 -3.596 0.895 1.00 0.00 H new ATOM 0 HD1 TYR A 19 13.555 -2.893 1.250 1.00 0.00 H new ATOM 0 HD2 TYR A 19 17.324 -3.254 3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.459 -2.575 3.425 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.227 -2.939 5.380 1.00 0.00 H new ATOM 0 HH TYR A 19 14.334 -2.603 6.462 1.00 0.00 H new ATOM 300 N PRO A 20 18.588 -1.635 -0.555 1.00 0.00 N ATOM 301 CA PRO A 20 18.809 -1.350 0.876 1.00 0.00 C ATOM 302 C PRO A 20 18.216 -0.018 1.337 1.00 0.00 C ATOM 303 O PRO A 20 18.301 0.332 2.516 1.00 0.00 O ATOM 304 CB PRO A 20 20.329 -1.316 0.989 1.00 0.00 C ATOM 305 CG PRO A 20 20.792 -0.872 -0.353 1.00 0.00 C ATOM 306 CD PRO A 20 19.827 -1.465 -1.339 1.00 0.00 C ATOM 0 HA PRO A 20 18.321 -2.093 1.507 1.00 0.00 H new ATOM 0 HB2 PRO A 20 20.654 -0.627 1.769 1.00 0.00 H new ATOM 0 HB3 PRO A 20 20.730 -2.297 1.243 1.00 0.00 H new ATOM 0 HG2 PRO A 20 20.802 0.216 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.809 -1.213 -0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 20 19.673 -0.807 -2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 20 20.188 -2.416 -1.730 1.00 0.00 H new ATOM 314 N GLU A 21 17.648 0.735 0.404 1.00 0.00 N ATOM 315 CA GLU A 21 16.998 1.995 0.736 1.00 0.00 C ATOM 316 C GLU A 21 15.645 1.747 1.399 1.00 0.00 C ATOM 317 O GLU A 21 15.278 0.607 1.691 1.00 0.00 O ATOM 318 CB GLU A 21 16.808 2.849 -0.516 1.00 0.00 C ATOM 319 CG GLU A 21 18.106 3.270 -1.179 1.00 0.00 C ATOM 320 CD GLU A 21 17.865 4.153 -2.385 1.00 0.00 C ATOM 321 OE1 GLU A 21 17.793 5.388 -2.218 1.00 0.00 O ATOM 322 OE2 GLU A 21 17.742 3.621 -3.506 1.00 0.00 O ATOM 0 H GLU A 21 17.624 0.495 -0.587 1.00 0.00 H new ATOM 0 HA GLU A 21 17.641 2.529 1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.208 2.292 -1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.241 3.742 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.726 3.802 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.662 2.383 -1.484 1.00 0.00 H new ATOM 329 N GLU A 22 14.911 2.820 1.638 1.00 0.00 N ATOM 330 CA GLU A 22 13.600 2.720 2.255 1.00 0.00 C ATOM 331 C GLU A 22 12.523 2.497 1.198 1.00 0.00 C ATOM 332 O GLU A 22 12.612 3.013 0.080 1.00 0.00 O ATOM 333 CB GLU A 22 13.303 3.982 3.066 1.00 0.00 C ATOM 334 CG GLU A 22 14.277 4.198 4.217 1.00 0.00 C ATOM 335 CD GLU A 22 14.037 5.498 4.949 1.00 0.00 C ATOM 336 OE1 GLU A 22 13.119 5.553 5.795 1.00 0.00 O ATOM 337 OE2 GLU A 22 14.766 6.473 4.685 1.00 0.00 O ATOM 0 H GLU A 22 15.201 3.772 1.414 1.00 0.00 H new ATOM 0 HA GLU A 22 13.597 1.863 2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.335 4.847 2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.290 3.921 3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.192 3.369 4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.297 4.186 3.832 1.00 0.00 H new ATOM 344 N GLY A 23 11.522 1.706 1.550 1.00 0.00 N ATOM 345 CA GLY A 23 10.445 1.427 0.628 1.00 0.00 C ATOM 346 C GLY A 23 9.197 2.215 0.949 1.00 0.00 C ATOM 347 O GLY A 23 9.090 3.387 0.595 1.00 0.00 O ATOM 0 H GLY A 23 11.437 1.252 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.768 1.660 -0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 23 10.216 0.362 0.652 1.00 0.00 H new ATOM 351 N CYS A 24 8.258 1.558 1.627 1.00 0.00 N ATOM 352 CA CYS A 24 6.992 2.177 2.016 1.00 0.00 C ATOM 353 C CYS A 24 6.170 2.563 0.779 1.00 0.00 C ATOM 354 O CYS A 24 6.551 2.271 -0.359 1.00 0.00 O ATOM 355 CB CYS A 24 7.249 3.403 2.910 1.00 0.00 C ATOM 356 SG CYS A 24 5.807 3.971 3.848 1.00 0.00 S ATOM 0 H CYS A 24 8.352 0.586 1.921 1.00 0.00 H new ATOM 0 HA CYS A 24 6.414 1.451 2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.050 3.164 3.610 1.00 0.00 H new ATOM 0 HB3 CYS A 24 7.605 4.223 2.286 1.00 0.00 H new ATOM 0 HG CYS A 24 4.973 2.986 4.000 1.00 0.00 H new ATOM 362 N GLY A 25 5.031 3.192 1.008 1.00 0.00 N ATOM 363 CA GLY A 25 4.171 3.593 -0.080 1.00 0.00 C ATOM 364 C GLY A 25 2.709 3.493 0.286 1.00 0.00 C ATOM 365 O GLY A 25 2.372 3.152 1.419 1.00 0.00 O ATOM 0 H GLY A 25 4.685 3.434 1.937 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.403 4.619 -0.366 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.370 2.966 -0.949 1.00 0.00 H new ATOM 369 N PHE A 26 1.845 3.763 -0.677 1.00 0.00 N ATOM 370 CA PHE A 26 0.413 3.780 -0.429 1.00 0.00 C ATOM 371 C PHE A 26 -0.259 2.594 -1.102 1.00 0.00 C ATOM 372 O PHE A 26 0.213 2.098 -2.130 1.00 0.00 O ATOM 373 CB PHE A 26 -0.203 5.084 -0.944 1.00 0.00 C ATOM 374 CG PHE A 26 0.394 6.320 -0.332 1.00 0.00 C ATOM 375 CD1 PHE A 26 -0.034 6.771 0.905 1.00 0.00 C ATOM 376 CD2 PHE A 26 1.384 7.027 -0.994 1.00 0.00 C ATOM 377 CE1 PHE A 26 0.513 7.906 1.472 1.00 0.00 C ATOM 378 CE2 PHE A 26 1.936 8.163 -0.433 1.00 0.00 C ATOM 379 CZ PHE A 26 1.501 8.603 0.803 1.00 0.00 C ATOM 0 H PHE A 26 2.110 3.974 -1.639 1.00 0.00 H new ATOM 0 HA PHE A 26 0.253 3.712 0.647 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.081 5.130 -2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.275 5.072 -0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.805 6.229 1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.728 6.687 -1.959 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.169 8.248 2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.706 8.706 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.932 9.489 1.245 1.00 0.00 H new ATOM 389 N LEU A 27 -1.355 2.142 -0.513 1.00 0.00 N ATOM 390 CA LEU A 27 -2.136 1.051 -1.070 1.00 0.00 C ATOM 391 C LEU A 27 -3.314 1.615 -1.846 1.00 0.00 C ATOM 392 O LEU A 27 -4.171 2.301 -1.280 1.00 0.00 O ATOM 393 CB LEU A 27 -2.644 0.128 0.042 1.00 0.00 C ATOM 394 CG LEU A 27 -1.565 -0.484 0.938 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.202 -1.305 2.045 1.00 0.00 C ATOM 396 CD2 LEU A 27 -0.616 -1.341 0.120 1.00 0.00 C ATOM 0 H LEU A 27 -1.726 2.519 0.359 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.500 0.471 -1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.335 0.691 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.214 -0.681 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.992 0.325 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.422 -1.734 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.845 -0.665 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.797 -2.106 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.144 -1.768 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.174 -2.145 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.136 -0.727 -0.642 1.00 0.00 H new ATOM 408 N LEU A 28 -3.364 1.322 -3.136 1.00 0.00 N ATOM 409 CA LEU A 28 -4.410 1.856 -3.994 1.00 0.00 C ATOM 410 C LEU A 28 -5.449 0.786 -4.291 1.00 0.00 C ATOM 411 O LEU A 28 -5.110 -0.349 -4.637 1.00 0.00 O ATOM 412 CB LEU A 28 -3.811 2.383 -5.304 1.00 0.00 C ATOM 413 CG LEU A 28 -2.754 3.477 -5.144 1.00 0.00 C ATOM 414 CD1 LEU A 28 -2.211 3.894 -6.503 1.00 0.00 C ATOM 415 CD2 LEU A 28 -3.333 4.674 -4.400 1.00 0.00 C ATOM 0 H LEU A 28 -2.693 0.718 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.894 2.682 -3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.366 1.547 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.619 2.769 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.928 3.079 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.460 4.673 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.758 3.033 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.025 4.276 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.567 5.442 -4.295 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.177 5.077 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.670 4.360 -3.412 1.00 0.00 H new ATOM 427 N GLY A 29 -6.710 1.150 -4.147 1.00 0.00 N ATOM 428 CA GLY A 29 -7.782 0.218 -4.390 1.00 0.00 C ATOM 429 C GLY A 29 -9.131 0.828 -4.093 1.00 0.00 C ATOM 430 O GLY A 29 -9.325 2.027 -4.279 1.00 0.00 O ATOM 0 H GLY A 29 -7.011 2.083 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.751 -0.109 -5.429 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.640 -0.669 -3.773 1.00 0.00 H new ATOM 434 N THR A 30 -10.060 0.009 -3.640 1.00 0.00 N ATOM 435 CA THR A 30 -11.397 0.479 -3.306 1.00 0.00 C ATOM 436 C THR A 30 -11.879 -0.123 -1.990 1.00 0.00 C ATOM 437 O THR A 30 -11.370 -1.154 -1.546 1.00 0.00 O ATOM 438 CB THR A 30 -12.402 0.140 -4.426 1.00 0.00 C ATOM 439 OG1 THR A 30 -12.110 -1.154 -4.970 1.00 0.00 O ATOM 440 CG2 THR A 30 -12.364 1.187 -5.532 1.00 0.00 C ATOM 0 H THR A 30 -9.916 -0.990 -3.493 1.00 0.00 H new ATOM 0 HA THR A 30 -11.340 1.562 -3.199 1.00 0.00 H new ATOM 0 HB THR A 30 -13.403 0.135 -3.995 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.753 -1.363 -5.679 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.082 0.923 -6.308 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.619 2.163 -5.118 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.363 1.226 -5.962 1.00 0.00 H new ATOM 448 N VAL A 31 -12.856 0.524 -1.369 1.00 0.00 N ATOM 449 CA VAL A 31 -13.463 0.001 -0.151 1.00 0.00 C ATOM 450 C VAL A 31 -14.631 -0.901 -0.524 1.00 0.00 C ATOM 451 O VAL A 31 -15.540 -0.498 -1.247 1.00 0.00 O ATOM 452 CB VAL A 31 -13.946 1.133 0.781 1.00 0.00 C ATOM 453 CG1 VAL A 31 -14.613 0.565 2.024 1.00 0.00 C ATOM 454 CG2 VAL A 31 -12.784 2.029 1.175 1.00 0.00 C ATOM 0 H VAL A 31 -13.245 1.411 -1.688 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.708 -0.567 0.392 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.680 1.727 0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -14.945 1.382 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.472 -0.039 1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.901 -0.056 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.142 2.822 1.832 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.030 1.439 1.696 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.345 2.470 0.280 1.00 0.00 H new ATOM 464 N THR A 32 -14.589 -2.128 -0.041 1.00 0.00 N ATOM 465 CA THR A 32 -15.523 -3.149 -0.477 1.00 0.00 C ATOM 466 C THR A 32 -16.072 -3.935 0.721 1.00 0.00 C ATOM 467 O THR A 32 -15.631 -3.731 1.856 1.00 0.00 O ATOM 468 CB THR A 32 -14.812 -4.116 -1.453 1.00 0.00 C ATOM 469 OG1 THR A 32 -13.908 -3.381 -2.292 1.00 0.00 O ATOM 470 CG2 THR A 32 -15.806 -4.849 -2.335 1.00 0.00 C ATOM 0 H THR A 32 -13.915 -2.443 0.657 1.00 0.00 H new ATOM 0 HA THR A 32 -16.358 -2.663 -0.982 1.00 0.00 H new ATOM 0 HB THR A 32 -14.269 -4.848 -0.855 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.459 -3.997 -2.907 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.271 -5.519 -3.008 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.487 -5.428 -1.712 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.375 -4.127 -2.920 1.00 0.00 H new ATOM 478 N ASP A 33 -17.056 -4.800 0.453 1.00 0.00 N ATOM 479 CA ASP A 33 -17.577 -5.763 1.428 1.00 0.00 C ATOM 480 C ASP A 33 -18.451 -5.090 2.485 1.00 0.00 C ATOM 481 O ASP A 33 -19.666 -4.996 2.319 1.00 0.00 O ATOM 482 CB ASP A 33 -16.418 -6.547 2.070 1.00 0.00 C ATOM 483 CG ASP A 33 -16.864 -7.528 3.134 1.00 0.00 C ATOM 484 OD1 ASP A 33 -17.611 -8.469 2.811 1.00 0.00 O ATOM 485 OD2 ASP A 33 -16.424 -7.380 4.291 1.00 0.00 O ATOM 0 H ASP A 33 -17.517 -4.851 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.218 -6.467 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.881 -7.088 1.291 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.714 -5.841 2.511 1.00 0.00 H new ATOM 490 N ASP A 34 -17.834 -4.598 3.545 1.00 0.00 N ATOM 491 CA ASP A 34 -18.558 -3.911 4.606 1.00 0.00 C ATOM 492 C ASP A 34 -17.572 -3.133 5.447 1.00 0.00 C ATOM 493 O ASP A 34 -17.468 -3.302 6.662 1.00 0.00 O ATOM 494 CB ASP A 34 -19.341 -4.898 5.466 1.00 0.00 C ATOM 495 CG ASP A 34 -20.334 -4.208 6.385 1.00 0.00 C ATOM 496 OD1 ASP A 34 -21.342 -3.669 5.878 1.00 0.00 O ATOM 497 OD2 ASP A 34 -20.121 -4.211 7.617 1.00 0.00 O ATOM 0 H ASP A 34 -16.827 -4.661 3.696 1.00 0.00 H new ATOM 0 HA ASP A 34 -19.280 -3.226 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.873 -5.596 4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.645 -5.486 6.064 1.00 0.00 H new ATOM 502 N GLY A 35 -16.818 -2.309 4.761 1.00 0.00 N ATOM 503 CA GLY A 35 -15.802 -1.511 5.409 1.00 0.00 C ATOM 504 C GLY A 35 -14.457 -2.195 5.372 1.00 0.00 C ATOM 505 O GLY A 35 -13.661 -2.076 6.305 1.00 0.00 O ATOM 0 H GLY A 35 -16.888 -2.172 3.753 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.732 -0.540 4.918 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.089 -1.325 6.444 1.00 0.00 H new ATOM 509 N ASP A 36 -14.214 -2.935 4.301 1.00 0.00 N ATOM 510 CA ASP A 36 -12.934 -3.594 4.110 1.00 0.00 C ATOM 511 C ASP A 36 -12.215 -2.942 2.939 1.00 0.00 C ATOM 512 O ASP A 36 -12.833 -2.248 2.129 1.00 0.00 O ATOM 513 CB ASP A 36 -13.119 -5.096 3.856 1.00 0.00 C ATOM 514 CG ASP A 36 -11.901 -5.914 4.245 1.00 0.00 C ATOM 515 OD1 ASP A 36 -10.772 -5.487 3.957 1.00 0.00 O ATOM 516 OD2 ASP A 36 -12.069 -6.996 4.849 1.00 0.00 O ATOM 0 H ASP A 36 -14.887 -3.093 3.551 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.338 -3.485 5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.983 -5.451 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.337 -5.257 2.800 1.00 0.00 H new ATOM 521 N ASN A 37 -10.930 -3.186 2.835 1.00 0.00 N ATOM 522 CA ASN A 37 -10.099 -2.503 1.860 1.00 0.00 C ATOM 523 C ASN A 37 -9.555 -3.481 0.828 1.00 0.00 C ATOM 524 O ASN A 37 -8.873 -4.454 1.161 1.00 0.00 O ATOM 525 CB ASN A 37 -8.954 -1.770 2.561 1.00 0.00 C ATOM 526 CG ASN A 37 -9.439 -0.618 3.426 1.00 0.00 C ATOM 527 OD1 ASN A 37 -10.432 0.040 3.115 1.00 0.00 O ATOM 528 ND2 ASN A 37 -8.747 -0.372 4.524 1.00 0.00 N ATOM 0 H ASN A 37 -10.430 -3.858 3.417 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.715 -1.771 1.338 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.401 -2.476 3.180 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.259 -1.390 1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.030 0.385 5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.929 -0.939 4.749 1.00 0.00 H new ATOM 535 N ARG A 38 -9.876 -3.212 -0.426 1.00 0.00 N ATOM 536 CA ARG A 38 -9.434 -4.033 -1.542 1.00 0.00 C ATOM 537 C ARG A 38 -8.266 -3.362 -2.257 1.00 0.00 C ATOM 538 O ARG A 38 -8.444 -2.362 -2.955 1.00 0.00 O ATOM 539 CB ARG A 38 -10.603 -4.253 -2.508 1.00 0.00 C ATOM 540 CG ARG A 38 -10.217 -4.848 -3.853 1.00 0.00 C ATOM 541 CD ARG A 38 -11.424 -4.904 -4.776 1.00 0.00 C ATOM 542 NE ARG A 38 -11.067 -5.249 -6.156 1.00 0.00 N ATOM 543 CZ ARG A 38 -11.878 -5.043 -7.195 1.00 0.00 C ATOM 544 NH1 ARG A 38 -13.071 -4.488 -7.004 1.00 0.00 N ATOM 545 NH2 ARG A 38 -11.494 -5.378 -8.424 1.00 0.00 N ATOM 0 H ARG A 38 -10.452 -2.416 -0.700 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.096 -5.000 -1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.331 -4.910 -2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.100 -3.298 -2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.430 -4.249 -4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.813 -5.850 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.134 -5.638 -4.395 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.928 -3.938 -4.766 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.153 -5.667 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.365 -4.221 -6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.693 -4.330 -7.797 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.575 -5.795 -8.576 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.118 -5.218 -9.215 1.00 0.00 H new ATOM 559 N VAL A 39 -7.075 -3.905 -2.068 1.00 0.00 N ATOM 560 CA VAL A 39 -5.877 -3.335 -2.669 1.00 0.00 C ATOM 561 C VAL A 39 -5.619 -3.953 -4.037 1.00 0.00 C ATOM 562 O VAL A 39 -5.432 -5.169 -4.158 1.00 0.00 O ATOM 563 CB VAL A 39 -4.641 -3.532 -1.767 1.00 0.00 C ATOM 564 CG1 VAL A 39 -3.396 -2.930 -2.407 1.00 0.00 C ATOM 565 CG2 VAL A 39 -4.884 -2.923 -0.393 1.00 0.00 C ATOM 0 H VAL A 39 -6.910 -4.739 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.048 -2.265 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.474 -4.603 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.539 -3.083 -1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.209 -3.414 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.547 -1.862 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.003 -3.070 0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.080 -1.856 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.743 -3.406 0.072 1.00 0.00 H new ATOM 575 N ALA A 40 -5.625 -3.114 -5.065 1.00 0.00 N ATOM 576 CA ALA A 40 -5.419 -3.578 -6.430 1.00 0.00 C ATOM 577 C ALA A 40 -4.113 -3.054 -7.016 1.00 0.00 C ATOM 578 O ALA A 40 -3.575 -3.637 -7.958 1.00 0.00 O ATOM 579 CB ALA A 40 -6.595 -3.164 -7.302 1.00 0.00 C ATOM 0 H ALA A 40 -5.770 -2.108 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.352 -4.666 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.433 -3.515 -8.321 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.512 -3.603 -6.908 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.683 -2.078 -7.302 1.00 0.00 H new ATOM 585 N ALA A 41 -3.595 -1.964 -6.463 1.00 0.00 N ATOM 586 CA ALA A 41 -2.384 -1.353 -6.998 1.00 0.00 C ATOM 587 C ALA A 41 -1.456 -0.883 -5.884 1.00 0.00 C ATOM 588 O ALA A 41 -1.898 -0.602 -4.768 1.00 0.00 O ATOM 589 CB ALA A 41 -2.739 -0.197 -7.921 1.00 0.00 C ATOM 0 H ALA A 41 -3.990 -1.488 -5.652 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.852 -2.112 -7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.825 0.250 -8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.347 -0.565 -8.748 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.300 0.554 -7.365 1.00 0.00 H new ATOM 595 N LEU A 42 -0.168 -0.802 -6.201 1.00 0.00 N ATOM 596 CA LEU A 42 0.846 -0.379 -5.242 1.00 0.00 C ATOM 597 C LEU A 42 1.609 0.833 -5.774 1.00 0.00 C ATOM 598 O LEU A 42 1.805 0.969 -6.982 1.00 0.00 O ATOM 599 CB LEU A 42 1.834 -1.522 -4.975 1.00 0.00 C ATOM 600 CG LEU A 42 1.221 -2.826 -4.452 1.00 0.00 C ATOM 601 CD1 LEU A 42 2.279 -3.919 -4.375 1.00 0.00 C ATOM 602 CD2 LEU A 42 0.586 -2.606 -3.090 1.00 0.00 C ATOM 0 H LEU A 42 0.201 -1.026 -7.125 1.00 0.00 H new ATOM 0 HA LEU A 42 0.345 -0.109 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.368 -1.739 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.574 -1.176 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 42 0.445 -3.145 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.827 -4.838 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.693 -4.096 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.076 -3.607 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.156 -3.542 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.345 -2.264 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.199 -1.854 -3.172 1.00 0.00 H new ATOM 614 N HIS A 43 2.034 1.702 -4.872 1.00 0.00 N ATOM 615 CA HIS A 43 2.810 2.880 -5.240 1.00 0.00 C ATOM 616 C HIS A 43 3.804 3.198 -4.129 1.00 0.00 C ATOM 617 O HIS A 43 3.402 3.405 -2.988 1.00 0.00 O ATOM 618 CB HIS A 43 1.868 4.069 -5.470 1.00 0.00 C ATOM 619 CG HIS A 43 2.556 5.335 -5.901 1.00 0.00 C ATOM 620 ND1 HIS A 43 2.664 5.719 -7.217 1.00 0.00 N ATOM 621 CD2 HIS A 43 3.159 6.313 -5.179 1.00 0.00 C ATOM 622 CE1 HIS A 43 3.296 6.874 -7.287 1.00 0.00 C ATOM 623 NE2 HIS A 43 3.607 7.257 -6.066 1.00 0.00 N ATOM 0 H HIS A 43 1.854 1.615 -3.872 1.00 0.00 H new ATOM 0 HA HIS A 43 3.358 2.685 -6.162 1.00 0.00 H new ATOM 0 HB2 HIS A 43 1.134 3.794 -6.227 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.318 4.264 -4.549 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.266 6.342 -4.105 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.521 7.415 -8.194 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.100 8.115 -5.821 1.00 0.00 H new ATOM 632 N ARG A 44 5.090 3.237 -4.456 1.00 0.00 N ATOM 633 CA ARG A 44 6.103 3.526 -3.450 1.00 0.00 C ATOM 634 C ARG A 44 6.269 5.024 -3.278 1.00 0.00 C ATOM 635 O ARG A 44 6.427 5.763 -4.249 1.00 0.00 O ATOM 636 CB ARG A 44 7.452 2.878 -3.795 1.00 0.00 C ATOM 637 CG ARG A 44 8.559 3.248 -2.811 1.00 0.00 C ATOM 638 CD ARG A 44 9.718 2.258 -2.814 1.00 0.00 C ATOM 639 NE ARG A 44 10.472 2.254 -4.068 1.00 0.00 N ATOM 640 CZ ARG A 44 11.801 2.371 -4.136 1.00 0.00 C ATOM 641 NH1 ARG A 44 12.518 2.594 -3.038 1.00 0.00 N ATOM 642 NH2 ARG A 44 12.415 2.273 -5.309 1.00 0.00 N ATOM 0 H ARG A 44 5.452 3.075 -5.396 1.00 0.00 H new ATOM 0 HA ARG A 44 5.760 3.095 -2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.335 1.794 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.749 3.182 -4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.937 4.241 -3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.140 3.304 -1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.393 2.497 -1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.332 1.256 -2.627 1.00 0.00 H new ATOM 0 HE ARG A 44 9.953 2.156 -4.941 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.053 2.677 -2.134 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.532 2.682 -3.100 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.872 2.109 -6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.430 2.362 -5.363 1.00 0.00 H new ATOM 656 N ALA A 45 6.220 5.464 -2.032 1.00 0.00 N ATOM 657 CA ALA A 45 6.408 6.865 -1.712 1.00 0.00 C ATOM 658 C ALA A 45 7.892 7.182 -1.630 1.00 0.00 C ATOM 659 O ALA A 45 8.549 6.872 -0.638 1.00 0.00 O ATOM 660 CB ALA A 45 5.713 7.208 -0.405 1.00 0.00 C ATOM 0 H ALA A 45 6.051 4.866 -1.223 1.00 0.00 H new ATOM 0 HA ALA A 45 5.964 7.471 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.864 8.264 -0.179 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.646 7.005 -0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.130 6.602 0.399 1.00 0.00 H new ATOM 962 N ASP A 63 4.175 12.671 -2.977 1.00 0.00 N ATOM 963 CA ASP A 63 3.907 11.249 -3.210 1.00 0.00 C ATOM 964 C ASP A 63 2.428 10.936 -3.048 1.00 0.00 C ATOM 965 O ASP A 63 1.882 10.100 -3.768 1.00 0.00 O ATOM 966 CB ASP A 63 4.709 10.361 -2.257 1.00 0.00 C ATOM 967 CG ASP A 63 6.204 10.456 -2.467 1.00 0.00 C ATOM 968 OD1 ASP A 63 6.689 9.991 -3.524 1.00 0.00 O ATOM 969 OD2 ASP A 63 6.893 10.988 -1.569 1.00 0.00 O ATOM 0 HA ASP A 63 4.213 11.037 -4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.475 10.639 -1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.396 9.325 -2.387 1.00 0.00 H new ATOM 974 N TYR A 64 1.780 11.608 -2.102 1.00 0.00 N ATOM 975 CA TYR A 64 0.358 11.403 -1.870 1.00 0.00 C ATOM 976 C TYR A 64 -0.446 11.807 -3.101 1.00 0.00 C ATOM 977 O TYR A 64 -1.333 11.075 -3.541 1.00 0.00 O ATOM 978 CB TYR A 64 -0.121 12.193 -0.650 1.00 0.00 C ATOM 979 CG TYR A 64 -1.599 12.016 -0.369 1.00 0.00 C ATOM 980 CD1 TYR A 64 -2.062 10.904 0.327 1.00 0.00 C ATOM 981 CD2 TYR A 64 -2.532 12.946 -0.817 1.00 0.00 C ATOM 982 CE1 TYR A 64 -3.409 10.727 0.571 1.00 0.00 C ATOM 983 CE2 TYR A 64 -3.882 12.773 -0.579 1.00 0.00 C ATOM 984 CZ TYR A 64 -4.315 11.663 0.114 1.00 0.00 C ATOM 985 OH TYR A 64 -5.659 11.485 0.344 1.00 0.00 O ATOM 0 H TYR A 64 2.216 12.296 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 64 0.201 10.342 -1.675 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.449 11.880 0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.089 13.251 -0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.356 10.168 0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.196 13.817 -1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.752 9.861 1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.594 13.503 -0.934 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.159 12.234 -0.042 1.00 0.00 H new ATOM 995 N ARG A 65 -0.118 12.963 -3.667 1.00 0.00 N ATOM 996 CA ARG A 65 -0.816 13.459 -4.841 1.00 0.00 C ATOM 997 C ARG A 65 -0.585 12.545 -6.031 1.00 0.00 C ATOM 998 O ARG A 65 -1.518 12.231 -6.765 1.00 0.00 O ATOM 999 CB ARG A 65 -0.355 14.868 -5.189 1.00 0.00 C ATOM 1000 CG ARG A 65 -0.845 15.943 -4.237 1.00 0.00 C ATOM 1001 CD ARG A 65 -0.570 17.330 -4.795 1.00 0.00 C ATOM 1002 NE ARG A 65 -1.292 17.572 -6.048 1.00 0.00 N ATOM 1003 CZ ARG A 65 -0.747 17.448 -7.264 1.00 0.00 C ATOM 1004 NH1 ARG A 65 0.519 17.070 -7.392 1.00 0.00 N ATOM 1005 NH2 ARG A 65 -1.470 17.699 -8.348 1.00 0.00 N ATOM 0 H ARG A 65 0.627 13.572 -3.330 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.881 13.480 -4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.735 14.886 -5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.695 15.110 -6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.914 15.822 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.352 15.831 -3.271 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -0.859 18.080 -4.059 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.500 17.446 -4.965 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.271 17.852 -5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.079 16.873 -6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.932 16.976 -8.320 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.444 17.987 -8.256 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.052 17.604 -9.273 1.00 0.00 H new ATOM 1019 N ALA A 66 0.660 12.113 -6.210 1.00 0.00 N ATOM 1020 CA ALA A 66 1.009 11.217 -7.307 1.00 0.00 C ATOM 1021 C ALA A 66 0.293 9.880 -7.165 1.00 0.00 C ATOM 1022 O ALA A 66 -0.107 9.268 -8.157 1.00 0.00 O ATOM 1023 CB ALA A 66 2.514 11.010 -7.367 1.00 0.00 C ATOM 0 H ALA A 66 1.444 12.369 -5.609 1.00 0.00 H new ATOM 0 HA ALA A 66 0.684 11.679 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.756 10.339 -8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.007 11.969 -7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.859 10.573 -6.430 1.00 0.00 H new ATOM 1029 N ALA A 67 0.129 9.429 -5.926 1.00 0.00 N ATOM 1030 CA ALA A 67 -0.600 8.200 -5.657 1.00 0.00 C ATOM 1031 C ALA A 67 -2.078 8.394 -5.955 1.00 0.00 C ATOM 1032 O ALA A 67 -2.730 7.516 -6.518 1.00 0.00 O ATOM 1033 CB ALA A 67 -0.402 7.766 -4.214 1.00 0.00 C ATOM 0 H ALA A 67 0.491 9.897 -5.095 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.211 7.415 -6.306 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.955 6.845 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.658 7.595 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.767 8.546 -3.546 1.00 0.00 H new ATOM 1039 N ASP A 68 -2.593 9.560 -5.586 1.00 0.00 N ATOM 1040 CA ASP A 68 -3.993 9.900 -5.815 1.00 0.00 C ATOM 1041 C ASP A 68 -4.279 10.032 -7.304 1.00 0.00 C ATOM 1042 O ASP A 68 -5.286 9.531 -7.799 1.00 0.00 O ATOM 1043 CB ASP A 68 -4.344 11.207 -5.107 1.00 0.00 C ATOM 1044 CG ASP A 68 -5.799 11.598 -5.297 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -6.663 11.078 -4.562 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -6.082 12.439 -6.175 1.00 0.00 O ATOM 0 H ASP A 68 -2.056 10.293 -5.122 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.607 9.096 -5.409 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.134 11.108 -4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.704 12.005 -5.485 1.00 0.00 H new ATOM 1051 N ALA A 69 -3.381 10.702 -8.012 1.00 0.00 N ATOM 1052 CA ALA A 69 -3.522 10.898 -9.450 1.00 0.00 C ATOM 1053 C ALA A 69 -3.550 9.562 -10.177 1.00 0.00 C ATOM 1054 O ALA A 69 -4.459 9.296 -10.964 1.00 0.00 O ATOM 1055 CB ALA A 69 -2.395 11.771 -9.976 1.00 0.00 C ATOM 0 H ALA A 69 -2.542 11.122 -7.612 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.469 11.404 -9.637 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.513 11.909 -11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.425 12.741 -9.480 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.438 11.290 -9.775 1.00 0.00 H new ATOM 1061 N ALA A 70 -2.565 8.714 -9.896 1.00 0.00 N ATOM 1062 CA ALA A 70 -2.511 7.383 -10.488 1.00 0.00 C ATOM 1063 C ALA A 70 -3.722 6.562 -10.068 1.00 0.00 C ATOM 1064 O ALA A 70 -4.215 5.725 -10.829 1.00 0.00 O ATOM 1065 CB ALA A 70 -1.224 6.675 -10.091 1.00 0.00 C ATOM 0 H ALA A 70 -1.794 8.925 -9.262 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.526 7.488 -11.573 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.201 5.683 -10.542 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.368 7.253 -10.440 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.180 6.582 -9.006 1.00 0.00 H new ATOM 1071 N ALA A 71 -4.200 6.806 -8.854 1.00 0.00 N ATOM 1072 CA ALA A 71 -5.404 6.160 -8.366 1.00 0.00 C ATOM 1073 C ALA A 71 -6.602 6.571 -9.211 1.00 0.00 C ATOM 1074 O ALA A 71 -7.355 5.718 -9.668 1.00 0.00 O ATOM 1075 CB ALA A 71 -5.638 6.492 -6.900 1.00 0.00 C ATOM 0 H ALA A 71 -3.768 7.449 -8.190 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.276 5.081 -8.450 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.546 5.997 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.790 6.147 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.746 7.570 -6.784 1.00 0.00 H new ATOM 1081 N GLN A 72 -6.755 7.877 -9.435 1.00 0.00 N ATOM 1082 CA GLN A 72 -7.833 8.396 -10.278 1.00 0.00 C ATOM 1083 C GLN A 72 -7.751 7.797 -11.677 1.00 0.00 C ATOM 1084 O GLN A 72 -8.769 7.437 -12.272 1.00 0.00 O ATOM 1085 CB GLN A 72 -7.774 9.923 -10.383 1.00 0.00 C ATOM 1086 CG GLN A 72 -7.911 10.654 -9.060 1.00 0.00 C ATOM 1087 CD GLN A 72 -8.148 12.139 -9.253 1.00 0.00 C ATOM 1088 OE1 GLN A 72 -8.764 12.558 -10.236 1.00 0.00 O ATOM 1089 NE2 GLN A 72 -7.637 12.946 -8.341 1.00 0.00 N ATOM 0 H GLN A 72 -6.145 8.595 -9.044 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.776 8.112 -9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.827 10.206 -10.843 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.566 10.259 -11.052 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.738 10.226 -8.493 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.008 10.505 -8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.134 12.559 -7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.745 13.956 -8.435 1.00 0.00 H new ATOM 1098 N GLU A 73 -6.527 7.697 -12.189 1.00 0.00 N ATOM 1099 CA GLU A 73 -6.271 7.100 -13.489 1.00 0.00 C ATOM 1100 C GLU A 73 -6.797 5.670 -13.550 1.00 0.00 C ATOM 1101 O GLU A 73 -7.355 5.242 -14.556 1.00 0.00 O ATOM 1102 CB GLU A 73 -4.769 7.112 -13.775 1.00 0.00 C ATOM 1103 CG GLU A 73 -4.184 8.501 -13.967 1.00 0.00 C ATOM 1104 CD GLU A 73 -2.768 8.464 -14.510 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -1.914 7.754 -13.928 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -2.506 9.124 -15.540 1.00 0.00 O ATOM 0 H GLU A 73 -5.688 8.028 -11.712 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.793 7.687 -14.244 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -4.250 6.622 -12.952 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.576 6.521 -14.671 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.817 9.067 -14.650 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.191 9.030 -13.014 1.00 0.00 H new ATOM 1113 N GLN A 74 -6.621 4.948 -12.461 1.00 0.00 N ATOM 1114 CA GLN A 74 -7.041 3.558 -12.378 1.00 0.00 C ATOM 1115 C GLN A 74 -8.507 3.431 -11.968 1.00 0.00 C ATOM 1116 O GLN A 74 -9.131 2.388 -12.171 1.00 0.00 O ATOM 1117 CB GLN A 74 -6.159 2.822 -11.375 1.00 0.00 C ATOM 1118 CG GLN A 74 -4.712 2.676 -11.826 1.00 0.00 C ATOM 1119 CD GLN A 74 -3.782 2.234 -10.709 1.00 0.00 C ATOM 1120 OE1 GLN A 74 -4.041 2.694 -9.495 1.00 0.00 O flip ATOM 1121 NE2 GLN A 74 -2.815 1.511 -10.943 1.00 0.00 N flip ATOM 0 H GLN A 74 -6.185 5.304 -11.610 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.936 3.114 -13.368 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -6.182 3.355 -10.424 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.576 1.831 -11.196 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.662 1.953 -12.640 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.364 3.629 -12.225 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.647 1.175 -11.891 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.181 1.247 -10.189 1.00 0.00 H new ATOM 1130 N GLY A 75 -9.056 4.493 -11.395 1.00 0.00 N ATOM 1131 CA GLY A 75 -10.418 4.448 -10.893 1.00 0.00 C ATOM 1132 C GLY A 75 -10.466 3.931 -9.467 1.00 0.00 C ATOM 1133 O GLY A 75 -11.455 3.337 -9.038 1.00 0.00 O ATOM 0 H GLY A 75 -8.583 5.388 -11.268 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.856 5.445 -10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.023 3.807 -11.535 1.00 0.00 H new ATOM 1137 N LEU A 76 -9.384 4.167 -8.740 1.00 0.00 N ATOM 1138 CA LEU A 76 -9.238 3.697 -7.373 1.00 0.00 C ATOM 1139 C LEU A 76 -8.932 4.870 -6.448 1.00 0.00 C ATOM 1140 O LEU A 76 -8.806 6.008 -6.900 1.00 0.00 O ATOM 1141 CB LEU A 76 -8.100 2.675 -7.299 1.00 0.00 C ATOM 1142 CG LEU A 76 -8.240 1.460 -8.223 1.00 0.00 C ATOM 1143 CD1 LEU A 76 -6.990 0.599 -8.155 1.00 0.00 C ATOM 1144 CD2 LEU A 76 -9.467 0.639 -7.854 1.00 0.00 C ATOM 0 H LEU A 76 -8.580 4.692 -9.084 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.169 3.227 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.164 3.182 -7.534 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.020 2.320 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.364 1.820 -9.244 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.104 -0.260 -8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.126 1.186 -8.468 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.842 0.253 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.546 -0.218 -8.523 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.375 0.289 -6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.360 1.257 -7.949 1.00 0.00 H new ATOM 1156 N ASP A 77 -8.811 4.593 -5.159 1.00 0.00 N ATOM 1157 CA ASP A 77 -8.402 5.600 -4.197 1.00 0.00 C ATOM 1158 C ASP A 77 -7.439 4.990 -3.183 1.00 0.00 C ATOM 1159 O ASP A 77 -7.092 3.809 -3.280 1.00 0.00 O ATOM 1160 CB ASP A 77 -9.613 6.220 -3.487 1.00 0.00 C ATOM 1161 CG ASP A 77 -10.398 5.234 -2.642 1.00 0.00 C ATOM 1162 OD1 ASP A 77 -10.064 5.068 -1.454 1.00 0.00 O ATOM 1163 OD2 ASP A 77 -11.376 4.650 -3.155 1.00 0.00 O ATOM 0 H ASP A 77 -8.992 3.674 -4.755 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.892 6.399 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -9.271 7.037 -2.852 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.278 6.654 -4.234 1.00 0.00 H new ATOM 1168 N VAL A 78 -6.993 5.798 -2.232 1.00 0.00 N ATOM 1169 CA VAL A 78 -6.056 5.336 -1.217 1.00 0.00 C ATOM 1170 C VAL A 78 -6.806 4.679 -0.065 1.00 0.00 C ATOM 1171 O VAL A 78 -7.491 5.348 0.707 1.00 0.00 O ATOM 1172 CB VAL A 78 -5.189 6.492 -0.671 1.00 0.00 C ATOM 1173 CG1 VAL A 78 -4.119 5.959 0.267 1.00 0.00 C ATOM 1174 CG2 VAL A 78 -4.563 7.280 -1.815 1.00 0.00 C ATOM 0 H VAL A 78 -7.265 6.777 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.397 4.608 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.832 7.167 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.518 6.788 0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.592 5.446 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.478 5.261 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.956 8.090 -1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.934 6.619 -2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.350 7.696 -2.444 1.00 0.00 H new ATOM 1184 N VAL A 79 -6.678 3.364 0.036 1.00 0.00 N ATOM 1185 CA VAL A 79 -7.389 2.609 1.056 1.00 0.00 C ATOM 1186 C VAL A 79 -6.472 2.221 2.209 1.00 0.00 C ATOM 1187 O VAL A 79 -6.931 1.758 3.255 1.00 0.00 O ATOM 1188 CB VAL A 79 -8.034 1.337 0.470 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -9.118 1.703 -0.531 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -6.984 0.445 -0.182 1.00 0.00 C ATOM 0 H VAL A 79 -6.089 2.799 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.174 3.264 1.435 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.491 0.780 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.563 0.793 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.888 2.293 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.682 2.285 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.464 -0.445 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.492 0.991 -0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.244 0.151 0.562 1.00 0.00 H new ATOM 1200 N GLY A 80 -5.175 2.407 2.028 1.00 0.00 N ATOM 1201 CA GLY A 80 -4.240 2.051 3.072 1.00 0.00 C ATOM 1202 C GLY A 80 -2.828 2.491 2.775 1.00 0.00 C ATOM 1203 O GLY A 80 -2.568 3.140 1.761 1.00 0.00 O ATOM 0 H GLY A 80 -4.755 2.795 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.564 2.500 4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.256 0.970 3.213 1.00 0.00 H new ATOM 1207 N VAL A 81 -1.920 2.127 3.665 1.00 0.00 N ATOM 1208 CA VAL A 81 -0.509 2.461 3.533 1.00 0.00 C ATOM 1209 C VAL A 81 0.308 1.236 3.924 1.00 0.00 C ATOM 1210 O VAL A 81 -0.187 0.367 4.643 1.00 0.00 O ATOM 1211 CB VAL A 81 -0.103 3.642 4.453 1.00 0.00 C ATOM 1212 CG1 VAL A 81 1.248 4.215 4.052 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -1.163 4.736 4.459 1.00 0.00 C ATOM 0 H VAL A 81 -2.140 1.589 4.503 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.321 2.759 2.502 1.00 0.00 H new ATOM 0 HB VAL A 81 -0.020 3.246 5.465 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.504 5.041 4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.009 3.439 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.200 4.577 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.845 5.547 5.114 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.297 5.118 3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.106 4.327 4.820 1.00 0.00 H new ATOM 1223 N TYR A 82 1.540 1.151 3.465 1.00 0.00 N ATOM 1224 CA TYR A 82 2.399 0.051 3.861 1.00 0.00 C ATOM 1225 C TYR A 82 3.799 0.567 4.165 1.00 0.00 C ATOM 1226 O TYR A 82 4.301 1.469 3.495 1.00 0.00 O ATOM 1227 CB TYR A 82 2.421 -1.065 2.798 1.00 0.00 C ATOM 1228 CG TYR A 82 3.360 -0.848 1.629 1.00 0.00 C ATOM 1229 CD1 TYR A 82 2.985 -0.080 0.532 1.00 0.00 C ATOM 1230 CD2 TYR A 82 4.622 -1.430 1.621 1.00 0.00 C ATOM 1231 CE1 TYR A 82 3.843 0.101 -0.538 1.00 0.00 C ATOM 1232 CE2 TYR A 82 5.483 -1.252 0.555 1.00 0.00 C ATOM 1233 CZ TYR A 82 5.090 -0.487 -0.520 1.00 0.00 C ATOM 1234 OH TYR A 82 5.954 -0.299 -1.579 1.00 0.00 O ATOM 0 H TYR A 82 1.966 1.821 2.825 1.00 0.00 H new ATOM 0 HA TYR A 82 1.992 -0.393 4.769 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.692 -2.001 3.287 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.410 -1.189 2.409 1.00 0.00 H new ATOM 0 HD1 TYR A 82 2.009 0.382 0.515 1.00 0.00 H new ATOM 0 HD2 TYR A 82 4.935 -2.031 2.462 1.00 0.00 H new ATOM 0 HE1 TYR A 82 3.538 0.700 -1.383 1.00 0.00 H new ATOM 0 HE2 TYR A 82 6.460 -1.711 0.565 1.00 0.00 H new ATOM 0 HH TYR A 82 6.403 0.567 -1.485 1.00 0.00 H new ATOM 1244 N HIS A 83 4.412 0.014 5.200 1.00 0.00 N ATOM 1245 CA HIS A 83 5.721 0.464 5.645 1.00 0.00 C ATOM 1246 C HIS A 83 6.641 -0.742 5.805 1.00 0.00 C ATOM 1247 O HIS A 83 6.188 -1.831 6.158 1.00 0.00 O ATOM 1248 CB HIS A 83 5.592 1.235 6.971 1.00 0.00 C ATOM 1249 CG HIS A 83 6.774 2.100 7.305 1.00 0.00 C ATOM 1250 ND1 HIS A 83 7.080 2.499 8.590 1.00 0.00 N ATOM 1251 CD2 HIS A 83 7.723 2.656 6.512 1.00 0.00 C ATOM 1252 CE1 HIS A 83 8.159 3.258 8.571 1.00 0.00 C ATOM 1253 NE2 HIS A 83 8.570 3.367 7.324 1.00 0.00 N ATOM 0 H HIS A 83 4.021 -0.751 5.750 1.00 0.00 H new ATOM 0 HA HIS A 83 6.149 1.138 4.903 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.700 1.861 6.928 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.441 0.520 7.780 1.00 0.00 H new ATOM 0 HD1 HIS A 83 6.553 2.246 9.426 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.798 2.557 5.439 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.626 3.713 9.432 1.00 0.00 H new ATOM 1262 N SER A 84 7.922 -0.552 5.549 1.00 0.00 N ATOM 1263 CA SER A 84 8.873 -1.645 5.599 1.00 0.00 C ATOM 1264 C SER A 84 9.716 -1.559 6.862 1.00 0.00 C ATOM 1265 O SER A 84 10.274 -0.507 7.172 1.00 0.00 O ATOM 1266 CB SER A 84 9.763 -1.597 4.357 1.00 0.00 C ATOM 1267 OG SER A 84 10.252 -0.279 4.137 1.00 0.00 O ATOM 0 H SER A 84 8.328 0.351 5.304 1.00 0.00 H new ATOM 0 HA SER A 84 8.333 -2.592 5.618 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.600 -2.285 4.477 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.198 -1.930 3.486 1.00 0.00 H new ATOM 0 HG SER A 84 10.336 0.186 4.995 1.00 0.00 H new ATOM 1273 N HIS A 85 9.779 -2.657 7.599 1.00 0.00 N ATOM 1274 CA HIS A 85 10.568 -2.713 8.822 1.00 0.00 C ATOM 1275 C HIS A 85 11.793 -3.585 8.615 1.00 0.00 C ATOM 1276 O HIS A 85 11.737 -4.579 7.891 1.00 0.00 O ATOM 1277 CB HIS A 85 9.741 -3.270 9.989 1.00 0.00 C ATOM 1278 CG HIS A 85 8.734 -2.310 10.548 1.00 0.00 C ATOM 1279 ND1 HIS A 85 8.145 -2.477 11.783 1.00 0.00 N ATOM 1280 CD2 HIS A 85 8.203 -1.174 10.034 1.00 0.00 C ATOM 1281 CE1 HIS A 85 7.294 -1.491 11.999 1.00 0.00 C ATOM 1282 NE2 HIS A 85 7.310 -0.686 10.955 1.00 0.00 N ATOM 0 H HIS A 85 9.292 -3.524 7.372 1.00 0.00 H new ATOM 0 HA HIS A 85 10.877 -1.697 9.066 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.222 -4.168 9.654 1.00 0.00 H new ATOM 0 HB3 HIS A 85 10.419 -3.572 10.787 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.439 -0.734 9.076 1.00 0.00 H new ATOM 0 HE1 HIS A 85 6.686 -1.365 12.883 1.00 0.00 H new ATOM 0 HE2 HIS A 85 6.751 0.160 10.849 1.00 0.00 H new ATOM 1291 N PRO A 86 12.920 -3.212 9.226 1.00 0.00 N ATOM 1292 CA PRO A 86 14.134 -4.012 9.208 1.00 0.00 C ATOM 1293 C PRO A 86 14.083 -5.118 10.257 1.00 0.00 C ATOM 1294 O PRO A 86 14.151 -4.844 11.463 1.00 0.00 O ATOM 1295 CB PRO A 86 15.249 -3.002 9.539 1.00 0.00 C ATOM 1296 CG PRO A 86 14.572 -1.676 9.712 1.00 0.00 C ATOM 1297 CD PRO A 86 13.121 -1.966 9.965 1.00 0.00 C ATOM 0 HA PRO A 86 14.285 -4.514 8.252 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.779 -3.290 10.447 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.988 -2.961 8.738 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.008 -1.124 10.545 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.695 -1.059 8.822 1.00 0.00 H new ATOM 0 HD2 PRO A 86 12.909 -2.084 11.028 1.00 0.00 H new ATOM 0 HD3 PRO A 86 12.476 -1.167 9.599 1.00 0.00 H new ATOM 1305 N ASP A 87 13.919 -6.359 9.792 1.00 0.00 N ATOM 1306 CA ASP A 87 13.870 -7.525 10.666 1.00 0.00 C ATOM 1307 C ASP A 87 12.635 -7.430 11.565 1.00 0.00 C ATOM 1308 O ASP A 87 11.681 -6.713 11.247 1.00 0.00 O ATOM 1309 CB ASP A 87 15.159 -7.608 11.508 1.00 0.00 C ATOM 1310 CG ASP A 87 15.555 -9.026 11.882 1.00 0.00 C ATOM 1311 OD1 ASP A 87 14.727 -9.749 12.473 1.00 0.00 O ATOM 1312 OD2 ASP A 87 16.710 -9.408 11.608 1.00 0.00 O ATOM 0 H ASP A 87 13.817 -6.579 8.801 1.00 0.00 H new ATOM 0 HA ASP A 87 13.800 -8.432 10.066 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.976 -7.147 10.952 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.025 -7.025 12.419 1.00 0.00 H new ATOM 1317 N HIS A 88 12.672 -8.141 12.680 1.00 0.00 N ATOM 1318 CA HIS A 88 11.621 -8.091 13.707 1.00 0.00 C ATOM 1319 C HIS A 88 10.301 -8.714 13.220 1.00 0.00 C ATOM 1320 O HIS A 88 10.107 -8.933 12.025 1.00 0.00 O ATOM 1321 CB HIS A 88 11.405 -6.638 14.164 1.00 0.00 C ATOM 1322 CG HIS A 88 12.615 -6.027 14.811 1.00 0.00 C ATOM 1323 ND1 HIS A 88 13.522 -5.235 14.133 1.00 0.00 N ATOM 1324 CD2 HIS A 88 13.070 -6.103 16.084 1.00 0.00 C ATOM 1325 CE1 HIS A 88 14.475 -4.855 14.961 1.00 0.00 C ATOM 1326 NE2 HIS A 88 14.224 -5.366 16.149 1.00 0.00 N ATOM 0 H HIS A 88 13.435 -8.778 12.908 1.00 0.00 H new ATOM 0 HA HIS A 88 11.956 -8.688 14.555 1.00 0.00 H new ATOM 0 HB2 HIS A 88 11.119 -6.034 13.303 1.00 0.00 H new ATOM 0 HB3 HIS A 88 10.572 -6.606 14.867 1.00 0.00 H new ATOM 0 HD1 HIS A 88 13.463 -4.984 13.146 1.00 0.00 H new ATOM 0 HD2 HIS A 88 12.609 -6.644 16.897 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.319 -4.230 14.708 1.00 0.00 H new ATOM 1335 N PRO A 89 9.376 -9.025 14.160 1.00 0.00 N ATOM 1336 CA PRO A 89 8.111 -9.732 13.866 1.00 0.00 C ATOM 1337 C PRO A 89 7.107 -8.918 13.043 1.00 0.00 C ATOM 1338 O PRO A 89 5.970 -9.351 12.851 1.00 0.00 O ATOM 1339 CB PRO A 89 7.522 -10.027 15.252 1.00 0.00 C ATOM 1340 CG PRO A 89 8.636 -9.804 16.215 1.00 0.00 C ATOM 1341 CD PRO A 89 9.500 -8.747 15.600 1.00 0.00 C ATOM 0 HA PRO A 89 8.309 -10.614 13.256 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.679 -9.370 15.468 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.152 -11.050 15.311 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.256 -9.483 17.185 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.199 -10.722 16.381 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.153 -7.744 15.850 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.533 -8.821 15.939 1.00 0.00 H new ATOM 1349 N ALA A 90 7.526 -7.737 12.592 1.00 0.00 N ATOM 1350 CA ALA A 90 6.716 -6.883 11.715 1.00 0.00 C ATOM 1351 C ALA A 90 5.552 -6.225 12.452 1.00 0.00 C ATOM 1352 O ALA A 90 4.660 -5.654 11.833 1.00 0.00 O ATOM 1353 CB ALA A 90 6.212 -7.660 10.502 1.00 0.00 C ATOM 0 H ALA A 90 8.438 -7.342 12.823 1.00 0.00 H new ATOM 0 HA ALA A 90 7.371 -6.083 11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.615 -7.002 9.871 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.062 -8.037 9.933 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.599 -8.497 10.835 1.00 0.00 H new ATOM 1359 N ARG A 91 5.567 -6.281 13.772 1.00 0.00 N ATOM 1360 CA ARG A 91 4.552 -5.590 14.549 1.00 0.00 C ATOM 1361 C ARG A 91 4.920 -4.112 14.654 1.00 0.00 C ATOM 1362 O ARG A 91 6.094 -3.761 14.543 1.00 0.00 O ATOM 1363 CB ARG A 91 4.403 -6.206 15.941 1.00 0.00 C ATOM 1364 CG ARG A 91 4.033 -7.679 15.931 1.00 0.00 C ATOM 1365 CD ARG A 91 3.606 -8.147 17.313 1.00 0.00 C ATOM 1366 NE ARG A 91 3.468 -9.600 17.391 1.00 0.00 N ATOM 1367 CZ ARG A 91 2.352 -10.231 17.758 1.00 0.00 C ATOM 1368 NH1 ARG A 91 1.255 -9.540 18.054 1.00 0.00 N ATOM 1369 NH2 ARG A 91 2.346 -11.558 17.838 1.00 0.00 N ATOM 0 H ARG A 91 6.259 -6.789 14.322 1.00 0.00 H new ATOM 0 HA ARG A 91 3.592 -5.692 14.043 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.340 -6.081 16.484 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.640 -5.655 16.491 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.224 -7.849 15.220 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.885 -8.268 15.591 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.338 -7.814 18.049 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.656 -7.680 17.575 1.00 0.00 H new ATOM 0 HE ARG A 91 4.279 -10.169 17.149 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.264 -8.521 18.001 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.405 -10.029 18.334 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.191 -12.086 17.619 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.496 -12.048 18.118 1.00 0.00 H new ATOM 1383 N PRO A 92 3.930 -3.229 14.850 1.00 0.00 N ATOM 1384 CA PRO A 92 4.150 -1.777 14.909 1.00 0.00 C ATOM 1385 C PRO A 92 5.151 -1.356 15.986 1.00 0.00 C ATOM 1386 O PRO A 92 5.212 -1.947 17.068 1.00 0.00 O ATOM 1387 CB PRO A 92 2.759 -1.206 15.227 1.00 0.00 C ATOM 1388 CG PRO A 92 1.964 -2.364 15.726 1.00 0.00 C ATOM 1389 CD PRO A 92 2.509 -3.567 15.017 1.00 0.00 C ATOM 0 HA PRO A 92 4.579 -1.412 13.976 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.819 -0.418 15.977 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.301 -0.768 14.340 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.061 -2.469 16.807 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.903 -2.231 15.513 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.375 -4.477 15.602 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.016 -3.730 14.058 1.00 0.00 H new ATOM 1397 N SER A 93 5.936 -0.337 15.671 1.00 0.00 N ATOM 1398 CA SER A 93 6.876 0.236 16.620 1.00 0.00 C ATOM 1399 C SER A 93 6.266 1.492 17.241 1.00 0.00 C ATOM 1400 O SER A 93 5.202 1.932 16.810 1.00 0.00 O ATOM 1401 CB SER A 93 8.197 0.551 15.917 1.00 0.00 C ATOM 1402 OG SER A 93 8.708 -0.599 15.257 1.00 0.00 O ATOM 0 H SER A 93 5.939 0.113 14.756 1.00 0.00 H new ATOM 0 HA SER A 93 7.081 -0.479 17.417 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.047 1.353 15.194 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.924 0.910 16.645 1.00 0.00 H new ATOM 0 HG SER A 93 9.552 -0.373 14.813 1.00 0.00 H new ATOM 1408 N ALA A 94 6.934 2.077 18.229 1.00 0.00 N ATOM 1409 CA ALA A 94 6.345 3.180 18.985 1.00 0.00 C ATOM 1410 C ALA A 94 6.138 4.426 18.129 1.00 0.00 C ATOM 1411 O ALA A 94 5.037 4.961 18.082 1.00 0.00 O ATOM 1412 CB ALA A 94 7.207 3.509 20.195 1.00 0.00 C ATOM 0 H ALA A 94 7.873 1.811 18.524 1.00 0.00 H new ATOM 0 HA ALA A 94 5.361 2.852 19.319 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.757 4.332 20.749 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.278 2.633 20.840 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.205 3.797 19.864 1.00 0.00 H new ATOM 1418 N THR A 95 7.169 4.854 17.416 1.00 0.00 N ATOM 1419 CA THR A 95 7.062 6.032 16.562 1.00 0.00 C ATOM 1420 C THR A 95 6.369 5.655 15.261 1.00 0.00 C ATOM 1421 O THR A 95 5.635 6.450 14.673 1.00 0.00 O ATOM 1422 CB THR A 95 8.446 6.630 16.244 1.00 0.00 C ATOM 1423 OG1 THR A 95 9.215 6.757 17.449 1.00 0.00 O ATOM 1424 CG2 THR A 95 8.306 7.994 15.586 1.00 0.00 C ATOM 0 H THR A 95 8.086 4.407 17.410 1.00 0.00 H new ATOM 0 HA THR A 95 6.481 6.783 17.098 1.00 0.00 H new ATOM 0 HB THR A 95 8.957 5.958 15.554 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.094 7.136 17.238 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.295 8.397 15.370 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.745 7.894 14.657 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.777 8.670 16.258 1.00 0.00 H new ATOM 1432 N ASP A 96 6.609 4.423 14.837 1.00 0.00 N ATOM 1433 CA ASP A 96 5.984 3.869 13.641 1.00 0.00 C ATOM 1434 C ASP A 96 4.459 3.935 13.763 1.00 0.00 C ATOM 1435 O ASP A 96 3.757 4.274 12.810 1.00 0.00 O ATOM 1436 CB ASP A 96 6.458 2.424 13.452 1.00 0.00 C ATOM 1437 CG ASP A 96 5.958 1.781 12.175 1.00 0.00 C ATOM 1438 OD1 ASP A 96 6.632 1.921 11.127 1.00 0.00 O ATOM 1439 OD2 ASP A 96 4.928 1.091 12.220 1.00 0.00 O ATOM 0 H ASP A 96 7.242 3.778 15.311 1.00 0.00 H new ATOM 0 HA ASP A 96 6.274 4.454 12.768 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.548 2.405 13.455 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.126 1.828 14.302 1.00 0.00 H new ATOM 1444 N LEU A 97 3.968 3.628 14.958 1.00 0.00 N ATOM 1445 CA LEU A 97 2.545 3.731 15.270 1.00 0.00 C ATOM 1446 C LEU A 97 2.117 5.198 15.338 1.00 0.00 C ATOM 1447 O LEU A 97 1.075 5.575 14.807 1.00 0.00 O ATOM 1448 CB LEU A 97 2.258 3.016 16.604 1.00 0.00 C ATOM 1449 CG LEU A 97 0.784 2.716 16.916 1.00 0.00 C ATOM 1450 CD1 LEU A 97 0.691 1.648 17.993 1.00 0.00 C ATOM 1451 CD2 LEU A 97 0.038 3.965 17.368 1.00 0.00 C ATOM 0 H LEU A 97 4.541 3.302 15.736 1.00 0.00 H new ATOM 0 HA LEU A 97 1.969 3.250 14.480 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.807 2.074 16.612 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.661 3.627 17.412 1.00 0.00 H new ATOM 0 HG LEU A 97 0.317 2.359 15.998 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.357 1.440 18.210 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.177 0.737 17.645 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.186 2.000 18.898 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.001 3.712 17.579 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.505 4.362 18.269 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.075 4.716 16.579 1.00 0.00 H new ATOM 1463 N GLU A 98 2.938 6.020 15.983 1.00 0.00 N ATOM 1464 CA GLU A 98 2.614 7.431 16.195 1.00 0.00 C ATOM 1465 C GLU A 98 2.454 8.196 14.879 1.00 0.00 C ATOM 1466 O GLU A 98 1.742 9.198 14.824 1.00 0.00 O ATOM 1467 CB GLU A 98 3.674 8.101 17.078 1.00 0.00 C ATOM 1468 CG GLU A 98 3.680 7.578 18.506 1.00 0.00 C ATOM 1469 CD GLU A 98 4.675 8.288 19.405 1.00 0.00 C ATOM 1470 OE1 GLU A 98 5.829 8.500 18.981 1.00 0.00 O ATOM 1471 OE2 GLU A 98 4.302 8.639 20.548 1.00 0.00 O ATOM 0 H GLU A 98 3.837 5.734 16.371 1.00 0.00 H new ATOM 0 HA GLU A 98 1.652 7.464 16.706 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.658 7.944 16.636 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.499 9.177 17.092 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.681 7.684 18.928 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.909 6.512 18.494 1.00 0.00 H new ATOM 1478 N GLU A 99 3.110 7.725 13.826 1.00 0.00 N ATOM 1479 CA GLU A 99 3.017 8.370 12.518 1.00 0.00 C ATOM 1480 C GLU A 99 1.706 8.020 11.806 1.00 0.00 C ATOM 1481 O GLU A 99 1.374 8.608 10.774 1.00 0.00 O ATOM 1482 CB GLU A 99 4.212 7.979 11.647 1.00 0.00 C ATOM 1483 CG GLU A 99 5.529 8.583 12.110 1.00 0.00 C ATOM 1484 CD GLU A 99 5.610 10.081 11.870 1.00 0.00 C ATOM 1485 OE1 GLU A 99 4.871 10.841 12.528 1.00 0.00 O ATOM 1486 OE2 GLU A 99 6.420 10.507 11.018 1.00 0.00 O ATOM 0 H GLU A 99 3.711 6.901 13.849 1.00 0.00 H new ATOM 0 HA GLU A 99 3.029 9.448 12.680 1.00 0.00 H new ATOM 0 HB2 GLU A 99 4.304 6.893 11.638 1.00 0.00 H new ATOM 0 HB3 GLU A 99 4.020 8.291 10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.661 8.383 13.173 1.00 0.00 H new ATOM 0 HG3 GLU A 99 6.351 8.092 11.589 1.00 0.00 H new ATOM 1493 N ALA A 100 0.961 7.072 12.360 1.00 0.00 N ATOM 1494 CA ALA A 100 -0.315 6.666 11.785 1.00 0.00 C ATOM 1495 C ALA A 100 -1.454 7.469 12.398 1.00 0.00 C ATOM 1496 O ALA A 100 -1.735 7.356 13.590 1.00 0.00 O ATOM 1497 CB ALA A 100 -0.542 5.180 11.992 1.00 0.00 C ATOM 0 H ALA A 100 1.219 6.569 13.209 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.290 6.865 10.714 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.499 4.894 11.556 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.258 4.619 11.509 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.548 4.958 13.059 1.00 0.00 H new ATOM 1503 N THR A 101 -2.101 8.296 11.588 1.00 0.00 N ATOM 1504 CA THR A 101 -3.151 9.175 12.086 1.00 0.00 C ATOM 1505 C THR A 101 -4.436 9.036 11.265 1.00 0.00 C ATOM 1506 O THR A 101 -5.353 9.847 11.381 1.00 0.00 O ATOM 1507 CB THR A 101 -2.673 10.638 12.053 1.00 0.00 C ATOM 1508 OG1 THR A 101 -1.277 10.686 12.376 1.00 0.00 O ATOM 1509 CG2 THR A 101 -3.448 11.493 13.047 1.00 0.00 C ATOM 0 H THR A 101 -1.919 8.377 10.588 1.00 0.00 H new ATOM 0 HA THR A 101 -3.370 8.882 13.113 1.00 0.00 H new ATOM 0 HB THR A 101 -2.845 11.034 11.052 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.968 11.616 12.354 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.088 12.521 13.001 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.509 11.468 12.798 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.302 11.102 14.054 1.00 0.00 H new ATOM 1517 N PHE A 102 -4.509 7.993 10.447 1.00 0.00 N ATOM 1518 CA PHE A 102 -5.670 7.781 9.586 1.00 0.00 C ATOM 1519 C PHE A 102 -6.423 6.502 9.963 1.00 0.00 C ATOM 1520 O PHE A 102 -6.129 5.423 9.444 1.00 0.00 O ATOM 1521 CB PHE A 102 -5.252 7.737 8.114 1.00 0.00 C ATOM 1522 CG PHE A 102 -4.633 9.016 7.623 1.00 0.00 C ATOM 1523 CD1 PHE A 102 -5.431 10.066 7.197 1.00 0.00 C ATOM 1524 CD2 PHE A 102 -3.257 9.169 7.591 1.00 0.00 C ATOM 1525 CE1 PHE A 102 -4.867 11.245 6.749 1.00 0.00 C ATOM 1526 CE2 PHE A 102 -2.686 10.346 7.143 1.00 0.00 C ATOM 1527 CZ PHE A 102 -3.493 11.387 6.722 1.00 0.00 C ATOM 0 H PHE A 102 -3.782 7.283 10.360 1.00 0.00 H new ATOM 0 HA PHE A 102 -6.345 8.624 9.734 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.542 6.922 7.971 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.126 7.509 7.504 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.506 9.961 7.215 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.622 8.359 7.920 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -5.500 12.056 6.420 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.611 10.452 7.122 1.00 0.00 H new ATOM 0 HZ PHE A 102 -3.051 12.308 6.373 1.00 0.00 H new ATOM 1537 N PRO A 103 -7.364 6.597 10.916 1.00 0.00 N ATOM 1538 CA PRO A 103 -8.170 5.454 11.356 1.00 0.00 C ATOM 1539 C PRO A 103 -9.131 4.978 10.270 1.00 0.00 C ATOM 1540 O PRO A 103 -10.045 5.700 9.870 1.00 0.00 O ATOM 1541 CB PRO A 103 -8.951 5.993 12.564 1.00 0.00 C ATOM 1542 CG PRO A 103 -8.289 7.282 12.921 1.00 0.00 C ATOM 1543 CD PRO A 103 -7.722 7.819 11.642 1.00 0.00 C ATOM 0 HA PRO A 103 -7.549 4.590 11.594 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -10.001 6.146 12.316 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.919 5.291 13.397 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -9.003 7.981 13.356 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.504 7.126 13.661 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -8.450 8.417 11.095 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.855 8.455 11.818 1.00 0.00 H new ATOM 1551 N GLY A 104 -8.915 3.759 9.798 1.00 0.00 N ATOM 1552 CA GLY A 104 -9.737 3.216 8.737 1.00 0.00 C ATOM 1553 C GLY A 104 -8.894 2.671 7.608 1.00 0.00 C ATOM 1554 O GLY A 104 -9.328 1.804 6.850 1.00 0.00 O ATOM 0 H GLY A 104 -8.182 3.134 10.133 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.370 2.423 9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.400 3.992 8.355 1.00 0.00 H new ATOM 1558 N PHE A 105 -7.681 3.190 7.498 1.00 0.00 N ATOM 1559 CA PHE A 105 -6.735 2.714 6.503 1.00 0.00 C ATOM 1560 C PHE A 105 -6.087 1.416 6.971 1.00 0.00 C ATOM 1561 O PHE A 105 -5.926 1.190 8.174 1.00 0.00 O ATOM 1562 CB PHE A 105 -5.652 3.769 6.246 1.00 0.00 C ATOM 1563 CG PHE A 105 -6.110 4.938 5.416 1.00 0.00 C ATOM 1564 CD1 PHE A 105 -7.113 5.786 5.859 1.00 0.00 C ATOM 1565 CD2 PHE A 105 -5.521 5.194 4.189 1.00 0.00 C ATOM 1566 CE1 PHE A 105 -7.522 6.861 5.094 1.00 0.00 C ATOM 1567 CE2 PHE A 105 -5.924 6.268 3.419 1.00 0.00 C ATOM 1568 CZ PHE A 105 -6.925 7.102 3.872 1.00 0.00 C ATOM 0 H PHE A 105 -7.328 3.944 8.088 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.276 2.529 5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.288 4.139 7.204 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.808 3.292 5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -7.581 5.604 6.815 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.736 4.545 3.829 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.307 7.512 5.451 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.456 6.454 2.464 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.242 7.942 3.272 1.00 0.00 H new ATOM 1578 N THR A 106 -5.737 0.556 6.030 1.00 0.00 N ATOM 1579 CA THR A 106 -5.018 -0.664 6.352 1.00 0.00 C ATOM 1580 C THR A 106 -3.521 -0.426 6.237 1.00 0.00 C ATOM 1581 O THR A 106 -3.033 0.003 5.193 1.00 0.00 O ATOM 1582 CB THR A 106 -5.430 -1.826 5.424 1.00 0.00 C ATOM 1583 OG1 THR A 106 -6.846 -2.025 5.499 1.00 0.00 O ATOM 1584 CG2 THR A 106 -4.718 -3.115 5.808 1.00 0.00 C ATOM 0 H THR A 106 -5.939 0.680 5.038 1.00 0.00 H new ATOM 0 HA THR A 106 -5.272 -0.941 7.375 1.00 0.00 H new ATOM 0 HB THR A 106 -5.144 -1.564 4.405 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.199 -1.571 6.292 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.028 -3.916 5.137 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.640 -2.973 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.975 -3.381 6.833 1.00 0.00 H new ATOM 1592 N TYR A 107 -2.810 -0.678 7.320 1.00 0.00 N ATOM 1593 CA TYR A 107 -1.375 -0.489 7.354 1.00 0.00 C ATOM 1594 C TYR A 107 -0.680 -1.832 7.255 1.00 0.00 C ATOM 1595 O TYR A 107 -0.762 -2.653 8.163 1.00 0.00 O ATOM 1596 CB TYR A 107 -0.956 0.235 8.638 1.00 0.00 C ATOM 1597 CG TYR A 107 -1.557 1.615 8.781 1.00 0.00 C ATOM 1598 CD1 TYR A 107 -2.874 1.778 9.191 1.00 0.00 C ATOM 1599 CD2 TYR A 107 -0.808 2.754 8.513 1.00 0.00 C ATOM 1600 CE1 TYR A 107 -3.428 3.034 9.329 1.00 0.00 C ATOM 1601 CE2 TYR A 107 -1.357 4.016 8.648 1.00 0.00 C ATOM 1602 CZ TYR A 107 -2.668 4.149 9.056 1.00 0.00 C ATOM 1603 OH TYR A 107 -3.220 5.398 9.204 1.00 0.00 O ATOM 0 H TYR A 107 -3.209 -1.017 8.195 1.00 0.00 H new ATOM 0 HA TYR A 107 -1.081 0.128 6.505 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.247 -0.369 9.497 1.00 0.00 H new ATOM 0 HB3 TYR A 107 0.131 0.317 8.660 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.475 0.907 9.405 1.00 0.00 H new ATOM 0 HD2 TYR A 107 0.219 2.652 8.194 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.454 3.142 9.650 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -0.763 4.892 8.435 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.193 5.317 9.292 1.00 0.00 H new ATOM 1613 N VAL A 108 -0.028 -2.069 6.135 1.00 0.00 N ATOM 1614 CA VAL A 108 0.686 -3.313 5.930 1.00 0.00 C ATOM 1615 C VAL A 108 2.154 -3.134 6.280 1.00 0.00 C ATOM 1616 O VAL A 108 2.850 -2.303 5.701 1.00 0.00 O ATOM 1617 CB VAL A 108 0.553 -3.818 4.474 1.00 0.00 C ATOM 1618 CG1 VAL A 108 1.332 -5.114 4.274 1.00 0.00 C ATOM 1619 CG2 VAL A 108 -0.916 -4.010 4.106 1.00 0.00 C ATOM 0 H VAL A 108 0.022 -1.417 5.353 1.00 0.00 H new ATOM 0 HA VAL A 108 0.240 -4.061 6.586 1.00 0.00 H new ATOM 0 HB VAL A 108 0.978 -3.063 3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.223 -5.449 3.242 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.386 -4.942 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.944 -5.879 4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.990 -4.366 3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.366 -4.742 4.777 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.442 -3.060 4.200 1.00 0.00 H new ATOM 1629 N ILE A 109 2.616 -3.901 7.242 1.00 0.00 N ATOM 1630 CA ILE A 109 3.999 -3.833 7.656 1.00 0.00 C ATOM 1631 C ILE A 109 4.721 -5.096 7.232 1.00 0.00 C ATOM 1632 O ILE A 109 4.361 -6.202 7.644 1.00 0.00 O ATOM 1633 CB ILE A 109 4.128 -3.649 9.181 1.00 0.00 C ATOM 1634 CG1 ILE A 109 3.403 -2.375 9.633 1.00 0.00 C ATOM 1635 CG2 ILE A 109 5.593 -3.604 9.583 1.00 0.00 C ATOM 1636 CD1 ILE A 109 3.443 -2.146 11.130 1.00 0.00 C ATOM 0 H ILE A 109 2.053 -4.580 7.753 1.00 0.00 H new ATOM 0 HA ILE A 109 4.451 -2.966 7.174 1.00 0.00 H new ATOM 0 HB ILE A 109 3.660 -4.500 9.675 1.00 0.00 H new ATOM 0 HG12 ILE A 109 3.850 -1.517 9.132 1.00 0.00 H new ATOM 0 HG13 ILE A 109 2.363 -2.426 9.311 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.670 -3.474 10.662 1.00 0.00 H new ATOM 0 HG22 ILE A 109 6.078 -4.536 9.294 1.00 0.00 H new ATOM 0 HG23 ILE A 109 6.083 -2.770 9.081 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.910 -1.227 11.372 1.00 0.00 H new ATOM 0 HD12 ILE A 109 2.969 -2.985 11.639 1.00 0.00 H new ATOM 0 HD13 ILE A 109 4.479 -2.061 11.458 1.00 0.00 H new ATOM 1648 N VAL A 110 5.718 -4.930 6.388 1.00 0.00 N ATOM 1649 CA VAL A 110 6.493 -6.053 5.905 1.00 0.00 C ATOM 1650 C VAL A 110 7.863 -6.077 6.564 1.00 0.00 C ATOM 1651 O VAL A 110 8.536 -5.048 6.686 1.00 0.00 O ATOM 1652 CB VAL A 110 6.636 -6.029 4.359 1.00 0.00 C ATOM 1653 CG1 VAL A 110 7.272 -4.729 3.882 1.00 0.00 C ATOM 1654 CG2 VAL A 110 7.433 -7.231 3.866 1.00 0.00 C ATOM 0 H VAL A 110 6.011 -4.024 6.021 1.00 0.00 H new ATOM 0 HA VAL A 110 5.956 -6.963 6.173 1.00 0.00 H new ATOM 0 HB VAL A 110 5.634 -6.087 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 110 7.358 -4.743 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.650 -3.887 4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 110 8.263 -4.626 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.519 -7.190 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.429 -7.214 4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 110 6.923 -8.150 4.155 1.00 0.00 H new ATOM 1664 N SER A 111 8.245 -7.250 7.025 1.00 0.00 N ATOM 1665 CA SER A 111 9.530 -7.445 7.648 1.00 0.00 C ATOM 1666 C SER A 111 10.567 -7.788 6.594 1.00 0.00 C ATOM 1667 O SER A 111 10.528 -8.862 5.989 1.00 0.00 O ATOM 1668 CB SER A 111 9.438 -8.562 8.684 1.00 0.00 C ATOM 1669 OG SER A 111 10.659 -8.724 9.379 1.00 0.00 O ATOM 0 H SER A 111 7.671 -8.092 6.977 1.00 0.00 H new ATOM 0 HA SER A 111 9.831 -6.525 8.149 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.641 -8.338 9.393 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.172 -9.497 8.191 1.00 0.00 H new ATOM 0 HG SER A 111 10.491 -8.704 10.344 1.00 0.00 H new ATOM 1675 N VAL A 112 11.471 -6.859 6.351 1.00 0.00 N ATOM 1676 CA VAL A 112 12.554 -7.090 5.421 1.00 0.00 C ATOM 1677 C VAL A 112 13.867 -7.075 6.182 1.00 0.00 C ATOM 1678 O VAL A 112 14.264 -6.051 6.736 1.00 0.00 O ATOM 1679 CB VAL A 112 12.581 -6.031 4.298 1.00 0.00 C ATOM 1680 CG1 VAL A 112 13.625 -6.385 3.250 1.00 0.00 C ATOM 1681 CG2 VAL A 112 11.208 -5.893 3.654 1.00 0.00 C ATOM 0 H VAL A 112 11.475 -5.937 6.786 1.00 0.00 H new ATOM 0 HA VAL A 112 12.402 -8.060 4.948 1.00 0.00 H new ATOM 0 HB VAL A 112 12.850 -5.073 4.743 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.627 -5.626 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 112 14.609 -6.428 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 112 13.388 -7.355 2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.250 -5.142 2.865 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.908 -6.850 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 112 10.482 -5.588 4.407 1.00 0.00 H new ATOM 1691 N ARG A 113 14.535 -8.211 6.210 1.00 0.00 N ATOM 1692 CA ARG A 113 15.749 -8.354 6.986 1.00 0.00 C ATOM 1693 C ARG A 113 16.954 -7.917 6.170 1.00 0.00 C ATOM 1694 O ARG A 113 17.655 -8.742 5.580 1.00 0.00 O ATOM 1695 CB ARG A 113 15.906 -9.798 7.465 1.00 0.00 C ATOM 1696 CG ARG A 113 16.999 -9.987 8.501 1.00 0.00 C ATOM 1697 CD ARG A 113 17.015 -11.410 9.031 1.00 0.00 C ATOM 1698 NE ARG A 113 18.014 -11.592 10.080 1.00 0.00 N ATOM 1699 CZ ARG A 113 18.717 -12.712 10.246 1.00 0.00 C ATOM 1700 NH1 ARG A 113 18.455 -13.777 9.495 1.00 0.00 N ATOM 1701 NH2 ARG A 113 19.654 -12.781 11.182 1.00 0.00 N ATOM 0 H ARG A 113 14.256 -9.051 5.702 1.00 0.00 H new ATOM 0 HA ARG A 113 15.683 -7.710 7.863 1.00 0.00 H new ATOM 0 HB2 ARG A 113 14.959 -10.136 7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 113 16.119 -10.434 6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 113 17.967 -9.750 8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 113 16.846 -9.291 9.326 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.029 -11.662 9.422 1.00 0.00 H new ATOM 0 HD3 ARG A 113 17.220 -12.100 8.212 1.00 0.00 H new ATOM 0 HE ARG A 113 18.184 -10.818 10.722 1.00 0.00 H new ATOM 0 HH11 ARG A 113 17.717 -13.737 8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 113 18.992 -14.635 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 113 19.839 -11.975 11.779 1.00 0.00 H new ATOM 0 HH22 ARG A 113 20.189 -13.640 11.305 1.00 0.00 H new ATOM 1715 N ASP A 114 17.134 -6.599 6.096 1.00 0.00 N ATOM 1716 CA ASP A 114 18.275 -5.988 5.413 1.00 0.00 C ATOM 1717 C ASP A 114 18.301 -6.376 3.930 1.00 0.00 C ATOM 1718 O ASP A 114 19.345 -6.370 3.285 1.00 0.00 O ATOM 1719 CB ASP A 114 19.580 -6.398 6.110 1.00 0.00 C ATOM 1720 CG ASP A 114 20.763 -5.530 5.719 1.00 0.00 C ATOM 1721 OD1 ASP A 114 20.792 -4.345 6.124 1.00 0.00 O ATOM 1722 OD2 ASP A 114 21.668 -6.023 5.018 1.00 0.00 O ATOM 0 H ASP A 114 16.492 -5.923 6.509 1.00 0.00 H new ATOM 0 HA ASP A 114 18.174 -4.904 5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.440 -6.346 7.190 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.803 -7.437 5.867 1.00 0.00 H new ATOM 1727 N GLY A 115 17.131 -6.696 3.388 1.00 0.00 N ATOM 1728 CA GLY A 115 17.042 -7.065 1.989 1.00 0.00 C ATOM 1729 C GLY A 115 16.246 -8.333 1.771 1.00 0.00 C ATOM 1730 O GLY A 115 15.703 -8.556 0.692 1.00 0.00 O ATOM 0 H GLY A 115 16.244 -6.706 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 115 16.581 -6.250 1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 115 18.047 -7.198 1.587 1.00 0.00 H new ATOM 1734 N ALA A 116 16.170 -9.166 2.800 1.00 0.00 N ATOM 1735 CA ALA A 116 15.436 -10.420 2.709 1.00 0.00 C ATOM 1736 C ALA A 116 14.040 -10.290 3.304 1.00 0.00 C ATOM 1737 O ALA A 116 13.890 -10.145 4.514 1.00 0.00 O ATOM 1738 CB ALA A 116 16.203 -11.529 3.408 1.00 0.00 C ATOM 0 H ALA A 116 16.607 -8.996 3.706 1.00 0.00 H new ATOM 0 HA ALA A 116 15.329 -10.670 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 116 15.644 -12.462 3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 116 17.177 -11.651 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.339 -11.271 4.458 1.00 0.00 H new ATOM 1744 N PRO A 117 13.003 -10.321 2.459 1.00 0.00 N ATOM 1745 CA PRO A 117 11.614 -10.291 2.919 1.00 0.00 C ATOM 1746 C PRO A 117 11.270 -11.550 3.703 1.00 0.00 C ATOM 1747 O PRO A 117 11.336 -12.662 3.174 1.00 0.00 O ATOM 1748 CB PRO A 117 10.792 -10.222 1.627 1.00 0.00 C ATOM 1749 CG PRO A 117 11.762 -9.841 0.559 1.00 0.00 C ATOM 1750 CD PRO A 117 13.090 -10.386 0.995 1.00 0.00 C ATOM 0 HA PRO A 117 11.419 -9.454 3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 117 10.324 -11.181 1.408 1.00 0.00 H new ATOM 0 HB3 PRO A 117 9.991 -9.488 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 117 11.466 -10.258 -0.404 1.00 0.00 H new ATOM 0 HG3 PRO A 117 11.805 -8.759 0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.244 -11.406 0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.918 -9.789 0.612 1.00 0.00 H new ATOM 1758 N GLU A 118 10.914 -11.376 4.964 1.00 0.00 N ATOM 1759 CA GLU A 118 10.654 -12.505 5.840 1.00 0.00 C ATOM 1760 C GLU A 118 9.154 -12.759 5.980 1.00 0.00 C ATOM 1761 O GLU A 118 8.630 -13.744 5.458 1.00 0.00 O ATOM 1762 CB GLU A 118 11.286 -12.254 7.209 1.00 0.00 C ATOM 1763 CG GLU A 118 11.200 -13.446 8.143 1.00 0.00 C ATOM 1764 CD GLU A 118 11.859 -13.188 9.480 1.00 0.00 C ATOM 1765 OE1 GLU A 118 13.091 -13.369 9.592 1.00 0.00 O ATOM 1766 OE2 GLU A 118 11.146 -12.822 10.430 1.00 0.00 O ATOM 0 H GLU A 118 10.798 -10.463 5.404 1.00 0.00 H new ATOM 0 HA GLU A 118 11.101 -13.396 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 118 12.333 -11.984 7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.795 -11.400 7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.153 -13.703 8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.671 -14.308 7.670 1.00 0.00 H new ATOM 1773 N ALA A 119 8.467 -11.861 6.669 1.00 0.00 N ATOM 1774 CA ALA A 119 7.044 -12.018 6.919 1.00 0.00 C ATOM 1775 C ALA A 119 6.296 -10.715 6.670 1.00 0.00 C ATOM 1776 O ALA A 119 6.850 -9.626 6.828 1.00 0.00 O ATOM 1777 CB ALA A 119 6.808 -12.500 8.342 1.00 0.00 C ATOM 0 H ALA A 119 8.874 -11.014 7.066 1.00 0.00 H new ATOM 0 HA ALA A 119 6.659 -12.766 6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.738 -12.613 8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.303 -13.460 8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 119 7.214 -11.772 9.045 1.00 0.00 H new ATOM 1783 N LEU A 120 5.040 -10.839 6.272 1.00 0.00 N ATOM 1784 CA LEU A 120 4.190 -9.684 6.014 1.00 0.00 C ATOM 1785 C LEU A 120 3.007 -9.682 6.974 1.00 0.00 C ATOM 1786 O LEU A 120 2.399 -10.724 7.216 1.00 0.00 O ATOM 1787 CB LEU A 120 3.667 -9.688 4.568 1.00 0.00 C ATOM 1788 CG LEU A 120 4.717 -9.523 3.459 1.00 0.00 C ATOM 1789 CD1 LEU A 120 5.503 -10.810 3.242 1.00 0.00 C ATOM 1790 CD2 LEU A 120 4.051 -9.084 2.164 1.00 0.00 C ATOM 0 H LEU A 120 4.581 -11.737 6.119 1.00 0.00 H new ATOM 0 HA LEU A 120 4.792 -8.788 6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.137 -10.626 4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.936 -8.886 4.467 1.00 0.00 H new ATOM 0 HG LEU A 120 5.420 -8.752 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 120 6.237 -10.659 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.015 -11.084 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.820 -11.610 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 120 4.807 -8.971 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.323 -9.835 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 120 3.545 -8.131 2.320 1.00 0.00 H new ATOM 1802 N THR A 121 2.683 -8.520 7.521 1.00 0.00 N ATOM 1803 CA THR A 121 1.551 -8.398 8.422 1.00 0.00 C ATOM 1804 C THR A 121 0.688 -7.205 8.035 1.00 0.00 C ATOM 1805 O THR A 121 1.198 -6.193 7.560 1.00 0.00 O ATOM 1806 CB THR A 121 2.000 -8.245 9.891 1.00 0.00 C ATOM 1807 OG1 THR A 121 2.950 -7.181 10.013 1.00 0.00 O ATOM 1808 CG2 THR A 121 2.606 -9.536 10.423 1.00 0.00 C ATOM 0 H THR A 121 3.189 -7.650 7.356 1.00 0.00 H new ATOM 0 HA THR A 121 0.972 -9.317 8.334 1.00 0.00 H new ATOM 0 HB THR A 121 1.116 -8.011 10.484 1.00 0.00 H new ATOM 0 HG1 THR A 121 3.210 -6.870 9.121 1.00 0.00 H new ATOM 0 HG21 THR A 121 2.912 -9.394 11.460 1.00 0.00 H new ATOM 0 HG22 THR A 121 1.866 -10.335 10.369 1.00 0.00 H new ATOM 0 HG23 THR A 121 3.475 -9.805 9.822 1.00 0.00 H new ATOM 1816 N ALA A 122 -0.614 -7.330 8.220 1.00 0.00 N ATOM 1817 CA ALA A 122 -1.521 -6.236 7.927 1.00 0.00 C ATOM 1818 C ALA A 122 -2.259 -5.820 9.181 1.00 0.00 C ATOM 1819 O ALA A 122 -2.737 -6.662 9.946 1.00 0.00 O ATOM 1820 CB ALA A 122 -2.500 -6.615 6.826 1.00 0.00 C ATOM 0 H ALA A 122 -1.065 -8.175 8.570 1.00 0.00 H new ATOM 0 HA ALA A 122 -0.933 -5.390 7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.167 -5.776 6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.949 -6.863 5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.086 -7.478 7.142 1.00 0.00 H new ATOM 1826 N TRP A 123 -2.330 -4.522 9.395 1.00 0.00 N ATOM 1827 CA TRP A 123 -2.895 -3.982 10.611 1.00 0.00 C ATOM 1828 C TRP A 123 -3.939 -2.922 10.302 1.00 0.00 C ATOM 1829 O TRP A 123 -3.878 -2.250 9.273 1.00 0.00 O ATOM 1830 CB TRP A 123 -1.785 -3.372 11.467 1.00 0.00 C ATOM 1831 CG TRP A 123 -0.686 -4.335 11.784 1.00 0.00 C ATOM 1832 CD1 TRP A 123 0.426 -4.592 11.033 1.00 0.00 C ATOM 1833 CD2 TRP A 123 -0.608 -5.185 12.929 1.00 0.00 C ATOM 1834 NE1 TRP A 123 1.209 -5.531 11.662 1.00 0.00 N ATOM 1835 CE2 TRP A 123 0.591 -5.914 12.826 1.00 0.00 C ATOM 1836 CE3 TRP A 123 -1.433 -5.391 14.035 1.00 0.00 C ATOM 1837 CZ2 TRP A 123 0.982 -6.838 13.794 1.00 0.00 C ATOM 1838 CZ3 TRP A 123 -1.050 -6.306 14.988 1.00 0.00 C ATOM 1839 CH2 TRP A 123 0.148 -7.021 14.865 1.00 0.00 C ATOM 0 H TRP A 123 -2.000 -3.818 8.735 1.00 0.00 H new ATOM 0 HA TRP A 123 -3.378 -4.794 11.155 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -1.365 -2.511 10.946 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -2.215 -3.003 12.398 1.00 0.00 H new ATOM 0 HD1 TRP A 123 0.656 -4.127 10.086 1.00 0.00 H new ATOM 0 HE1 TRP A 123 2.102 -5.885 11.320 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.357 -4.841 14.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 1.907 -7.388 13.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -1.684 -6.476 15.846 1.00 0.00 H new ATOM 0 HH2 TRP A 123 0.420 -7.732 15.631 1.00 0.00 H new ATOM 1850 N ALA A 124 -4.897 -2.784 11.198 1.00 0.00 N ATOM 1851 CA ALA A 124 -5.900 -1.743 11.093 1.00 0.00 C ATOM 1852 C ALA A 124 -5.761 -0.790 12.267 1.00 0.00 C ATOM 1853 O ALA A 124 -5.617 -1.225 13.413 1.00 0.00 O ATOM 1854 CB ALA A 124 -7.300 -2.343 11.054 1.00 0.00 C ATOM 0 H ALA A 124 -5.002 -3.386 12.014 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.747 -1.194 10.164 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.036 -1.543 10.975 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.389 -3.004 10.192 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.478 -2.911 11.967 1.00 0.00 H new ATOM 1860 N LEU A 125 -5.785 0.502 11.986 1.00 0.00 N ATOM 1861 CA LEU A 125 -5.675 1.500 13.040 1.00 0.00 C ATOM 1862 C LEU A 125 -7.024 1.676 13.719 1.00 0.00 C ATOM 1863 O LEU A 125 -8.051 1.775 13.045 1.00 0.00 O ATOM 1864 CB LEU A 125 -5.192 2.839 12.473 1.00 0.00 C ATOM 1865 CG LEU A 125 -4.955 3.943 13.511 1.00 0.00 C ATOM 1866 CD1 LEU A 125 -3.854 3.542 14.479 1.00 0.00 C ATOM 1867 CD2 LEU A 125 -4.607 5.254 12.826 1.00 0.00 C ATOM 0 H LEU A 125 -5.879 0.884 11.045 1.00 0.00 H new ATOM 0 HA LEU A 125 -4.944 1.157 13.771 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -4.263 2.670 11.928 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.926 3.195 11.750 1.00 0.00 H new ATOM 0 HG LEU A 125 -5.876 4.082 14.077 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.702 4.339 15.207 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.141 2.627 14.997 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.929 3.372 13.928 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.442 6.025 13.578 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.701 5.126 12.234 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.428 5.553 12.174 1.00 0.00 H new ATOM 1879 N ALA A 126 -7.013 1.691 15.049 1.00 0.00 N ATOM 1880 CA ALA A 126 -8.230 1.841 15.832 1.00 0.00 C ATOM 1881 C ALA A 126 -8.991 3.098 15.423 1.00 0.00 C ATOM 1882 O ALA A 126 -8.384 4.139 15.159 1.00 0.00 O ATOM 1883 CB ALA A 126 -7.898 1.878 17.318 1.00 0.00 C ATOM 0 H ALA A 126 -6.165 1.600 15.609 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.871 0.981 15.637 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -8.817 1.991 17.893 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.403 0.950 17.603 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.237 2.720 17.522 1.00 0.00 H new ATOM 1889 N PRO A 127 -10.333 3.007 15.369 1.00 0.00 N ATOM 1890 CA PRO A 127 -11.203 4.105 14.916 1.00 0.00 C ATOM 1891 C PRO A 127 -10.924 5.426 15.628 1.00 0.00 C ATOM 1892 O PRO A 127 -11.141 6.503 15.074 1.00 0.00 O ATOM 1893 CB PRO A 127 -12.609 3.608 15.256 1.00 0.00 C ATOM 1894 CG PRO A 127 -12.498 2.125 15.249 1.00 0.00 C ATOM 1895 CD PRO A 127 -11.115 1.811 15.743 1.00 0.00 C ATOM 0 HA PRO A 127 -11.049 4.323 13.859 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -12.934 3.976 16.229 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -13.339 3.954 14.524 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -13.254 1.674 15.892 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -12.654 1.727 14.246 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -11.102 1.644 16.820 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -10.717 0.910 15.276 1.00 0.00 H new ATOM 1903 N ASP A 128 -10.438 5.347 16.857 1.00 0.00 N ATOM 1904 CA ASP A 128 -10.139 6.546 17.617 1.00 0.00 C ATOM 1905 C ASP A 128 -8.673 6.569 18.045 1.00 0.00 C ATOM 1906 O ASP A 128 -8.362 6.735 19.226 1.00 0.00 O ATOM 1907 CB ASP A 128 -11.062 6.658 18.830 1.00 0.00 C ATOM 1908 CG ASP A 128 -10.987 8.023 19.478 1.00 0.00 C ATOM 1909 OD1 ASP A 128 -10.971 9.035 18.741 1.00 0.00 O ATOM 1910 OD2 ASP A 128 -10.933 8.088 20.725 1.00 0.00 O ATOM 0 H ASP A 128 -10.244 4.472 17.344 1.00 0.00 H new ATOM 0 HA ASP A 128 -10.314 7.409 16.974 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -12.089 6.459 18.523 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -10.794 5.895 19.561 1.00 0.00 H new ATOM 1915 N ARG A 129 -7.791 6.369 17.056 1.00 0.00 N ATOM 1916 CA ARG A 129 -6.329 6.524 17.200 1.00 0.00 C ATOM 1917 C ARG A 129 -5.775 5.901 18.484 1.00 0.00 C ATOM 1918 O ARG A 129 -4.854 6.443 19.094 1.00 0.00 O ATOM 1919 CB ARG A 129 -5.915 8.009 17.104 1.00 0.00 C ATOM 1920 CG ARG A 129 -6.645 8.946 18.058 1.00 0.00 C ATOM 1921 CD ARG A 129 -6.106 10.365 17.980 1.00 0.00 C ATOM 1922 NE ARG A 129 -4.789 10.492 18.602 1.00 0.00 N ATOM 1923 CZ ARG A 129 -4.107 11.635 18.680 1.00 0.00 C ATOM 1924 NH1 ARG A 129 -4.578 12.746 18.125 1.00 0.00 N ATOM 1925 NH2 ARG A 129 -2.941 11.662 19.306 1.00 0.00 N ATOM 0 H ARG A 129 -8.074 6.090 16.116 1.00 0.00 H new ATOM 0 HA ARG A 129 -5.889 5.974 16.369 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -4.844 8.085 17.293 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.083 8.352 16.083 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -7.709 8.948 17.822 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.546 8.575 19.078 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.043 10.671 16.936 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.804 11.044 18.470 1.00 0.00 H new ATOM 0 HE ARG A 129 -4.366 9.654 19.001 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -5.471 12.731 17.632 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -4.047 13.614 18.192 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.568 10.811 19.726 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -2.416 12.534 19.368 1.00 0.00 H new ATOM 1939 N SER A 130 -6.307 4.751 18.874 1.00 0.00 N ATOM 1940 CA SER A 130 -5.847 4.073 20.078 1.00 0.00 C ATOM 1941 C SER A 130 -4.541 3.325 19.815 1.00 0.00 C ATOM 1942 O SER A 130 -3.514 3.608 20.431 1.00 0.00 O ATOM 1943 CB SER A 130 -6.917 3.094 20.560 1.00 0.00 C ATOM 1944 OG SER A 130 -8.199 3.700 20.562 1.00 0.00 O ATOM 0 H SER A 130 -7.055 4.269 18.376 1.00 0.00 H new ATOM 0 HA SER A 130 -5.665 4.822 20.849 1.00 0.00 H new ATOM 0 HB2 SER A 130 -6.928 2.215 19.915 1.00 0.00 H new ATOM 0 HB3 SER A 130 -6.673 2.749 21.565 1.00 0.00 H new ATOM 0 HG SER A 130 -8.866 3.053 20.873 1.00 0.00 H new ATOM 1950 N GLU A 131 -4.597 2.382 18.881 1.00 0.00 N ATOM 1951 CA GLU A 131 -3.466 1.517 18.572 1.00 0.00 C ATOM 1952 C GLU A 131 -3.737 0.771 17.272 1.00 0.00 C ATOM 1953 O GLU A 131 -4.663 1.124 16.534 1.00 0.00 O ATOM 1954 CB GLU A 131 -3.238 0.515 19.714 1.00 0.00 C ATOM 1955 CG GLU A 131 -4.457 -0.344 20.023 1.00 0.00 C ATOM 1956 CD GLU A 131 -4.221 -1.308 21.167 1.00 0.00 C ATOM 1957 OE1 GLU A 131 -4.157 -0.853 22.327 1.00 0.00 O ATOM 1958 OE2 GLU A 131 -4.120 -2.530 20.918 1.00 0.00 O ATOM 0 H GLU A 131 -5.427 2.196 18.318 1.00 0.00 H new ATOM 0 HA GLU A 131 -2.570 2.127 18.459 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -2.402 -0.135 19.455 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -2.951 1.060 20.613 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.299 0.303 20.267 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.735 -0.906 19.132 1.00 0.00 H new ATOM 1965 N PHE A 132 -2.959 -0.266 17.003 1.00 0.00 N ATOM 1966 CA PHE A 132 -3.192 -1.095 15.836 1.00 0.00 C ATOM 1967 C PHE A 132 -3.823 -2.403 16.250 1.00 0.00 C ATOM 1968 O PHE A 132 -3.532 -2.940 17.320 1.00 0.00 O ATOM 1969 CB PHE A 132 -1.899 -1.388 15.076 1.00 0.00 C ATOM 1970 CG PHE A 132 -1.420 -0.252 14.223 1.00 0.00 C ATOM 1971 CD1 PHE A 132 -2.197 0.221 13.180 1.00 0.00 C ATOM 1972 CD2 PHE A 132 -0.185 0.324 14.446 1.00 0.00 C ATOM 1973 CE1 PHE A 132 -1.749 1.252 12.379 1.00 0.00 C ATOM 1974 CE2 PHE A 132 0.266 1.355 13.651 1.00 0.00 C ATOM 1975 CZ PHE A 132 -0.516 1.818 12.615 1.00 0.00 C ATOM 0 H PHE A 132 -2.165 -0.551 17.576 1.00 0.00 H new ATOM 0 HA PHE A 132 -3.861 -0.543 15.176 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -1.119 -1.644 15.793 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -2.052 -2.263 14.445 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -3.164 -0.221 12.991 1.00 0.00 H new ATOM 0 HD2 PHE A 132 0.435 -0.038 15.253 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -2.364 1.614 11.569 1.00 0.00 H new ATOM 0 HE2 PHE A 132 1.232 1.800 13.840 1.00 0.00 H new ATOM 0 HZ PHE A 132 -0.162 2.624 11.989 1.00 0.00 H new ATOM 1985 N HIS A 133 -4.699 -2.905 15.409 1.00 0.00 N ATOM 1986 CA HIS A 133 -5.319 -4.189 15.642 1.00 0.00 C ATOM 1987 C HIS A 133 -5.068 -5.087 14.456 1.00 0.00 C ATOM 1988 O HIS A 133 -4.981 -4.621 13.318 1.00 0.00 O ATOM 1989 CB HIS A 133 -6.817 -4.047 15.907 1.00 0.00 C ATOM 1990 CG HIS A 133 -7.126 -3.593 17.295 1.00 0.00 C ATOM 1991 ND1 HIS A 133 -7.268 -4.467 18.346 1.00 0.00 N ATOM 1992 CD2 HIS A 133 -7.306 -2.356 17.807 1.00 0.00 C ATOM 1993 CE1 HIS A 133 -7.532 -3.791 19.445 1.00 0.00 C ATOM 1994 NE2 HIS A 133 -7.558 -2.504 19.148 1.00 0.00 N ATOM 0 H HIS A 133 -4.999 -2.440 14.552 1.00 0.00 H new ATOM 0 HA HIS A 133 -4.876 -4.634 16.533 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -7.240 -3.337 15.196 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -7.304 -5.006 15.728 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -7.260 -1.424 17.263 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -7.699 -4.217 20.423 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -7.736 -1.746 19.806 1.00 0.00 H new ATOM 2003 N ARG A 134 -4.934 -6.366 14.731 1.00 0.00 N ATOM 2004 CA ARG A 134 -4.525 -7.314 13.718 1.00 0.00 C ATOM 2005 C ARG A 134 -5.592 -7.490 12.646 1.00 0.00 C ATOM 2006 O ARG A 134 -6.782 -7.626 12.940 1.00 0.00 O ATOM 2007 CB ARG A 134 -4.195 -8.659 14.355 1.00 0.00 C ATOM 2008 CG ARG A 134 -3.773 -9.706 13.345 1.00 0.00 C ATOM 2009 CD ARG A 134 -2.459 -9.343 12.674 1.00 0.00 C ATOM 2010 NE ARG A 134 -2.184 -10.207 11.530 1.00 0.00 N ATOM 2011 CZ ARG A 134 -1.109 -10.988 11.429 1.00 0.00 C ATOM 2012 NH1 ARG A 134 -0.229 -11.047 12.421 1.00 0.00 N ATOM 2013 NH2 ARG A 134 -0.924 -11.732 10.348 1.00 0.00 N ATOM 0 H ARG A 134 -5.103 -6.774 15.650 1.00 0.00 H new ATOM 0 HA ARG A 134 -3.632 -6.915 13.236 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -3.396 -8.523 15.084 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -5.067 -9.020 14.901 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -3.673 -10.671 13.842 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -4.550 -9.815 12.588 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -2.492 -8.304 12.346 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -1.646 -9.424 13.396 1.00 0.00 H new ATOM 0 HE ARG A 134 -2.855 -10.213 10.762 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -0.374 -10.493 13.265 1.00 0.00 H new ATOM 0 HH12 ARG A 134 0.592 -11.646 12.339 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -1.606 -11.708 9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -0.100 -12.329 10.274 1.00 0.00 H new ATOM 2027 N GLU A 135 -5.141 -7.485 11.406 1.00 0.00 N ATOM 2028 CA GLU A 135 -5.991 -7.754 10.266 1.00 0.00 C ATOM 2029 C GLU A 135 -5.493 -9.002 9.567 1.00 0.00 C ATOM 2030 O GLU A 135 -4.450 -9.549 9.936 1.00 0.00 O ATOM 2031 CB GLU A 135 -5.993 -6.571 9.298 1.00 0.00 C ATOM 2032 CG GLU A 135 -7.271 -5.756 9.342 1.00 0.00 C ATOM 2033 CD GLU A 135 -8.475 -6.550 8.882 1.00 0.00 C ATOM 2034 OE1 GLU A 135 -8.588 -6.824 7.669 1.00 0.00 O ATOM 2035 OE2 GLU A 135 -9.310 -6.920 9.731 1.00 0.00 O ATOM 0 H GLU A 135 -4.169 -7.293 11.162 1.00 0.00 H new ATOM 0 HA GLU A 135 -7.014 -7.906 10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -5.149 -5.921 9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -5.842 -6.941 8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -7.439 -5.402 10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -7.158 -4.873 8.712 1.00 0.00 H new ATOM 2042 N ASP A 136 -6.218 -9.446 8.561 1.00 0.00 N ATOM 2043 CA ASP A 136 -5.840 -10.653 7.845 1.00 0.00 C ATOM 2044 C ASP A 136 -6.210 -10.543 6.377 1.00 0.00 C ATOM 2045 O ASP A 136 -7.214 -9.917 6.024 1.00 0.00 O ATOM 2046 CB ASP A 136 -6.502 -11.879 8.474 1.00 0.00 C ATOM 2047 CG ASP A 136 -5.980 -13.176 7.895 1.00 0.00 C ATOM 2048 OD1 ASP A 136 -4.743 -13.373 7.892 1.00 0.00 O ATOM 2049 OD2 ASP A 136 -6.800 -14.010 7.464 1.00 0.00 O ATOM 0 H ASP A 136 -7.067 -8.995 8.220 1.00 0.00 H new ATOM 0 HA ASP A 136 -4.759 -10.770 7.918 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -6.330 -11.869 9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -7.580 -11.824 8.323 1.00 0.00 H new ATOM 2054 N ILE A 137 -5.392 -11.144 5.526 1.00 0.00 N ATOM 2055 CA ILE A 137 -5.591 -11.064 4.092 1.00 0.00 C ATOM 2056 C ILE A 137 -6.444 -12.229 3.613 1.00 0.00 C ATOM 2057 O ILE A 137 -6.040 -13.390 3.700 1.00 0.00 O ATOM 2058 CB ILE A 137 -4.253 -11.062 3.308 1.00 0.00 C ATOM 2059 CG1 ILE A 137 -3.404 -9.824 3.643 1.00 0.00 C ATOM 2060 CG2 ILE A 137 -4.516 -11.120 1.811 1.00 0.00 C ATOM 2061 CD1 ILE A 137 -2.700 -9.896 4.982 1.00 0.00 C ATOM 0 H ILE A 137 -4.581 -11.694 5.808 1.00 0.00 H new ATOM 0 HA ILE A 137 -6.098 -10.119 3.898 1.00 0.00 H new ATOM 0 HB ILE A 137 -3.693 -11.947 3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -2.658 -9.687 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -4.046 -8.943 3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -3.567 -11.118 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.065 -12.031 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -5.104 -10.253 1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -2.124 -8.984 5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -3.439 -10.000 5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -2.030 -10.755 4.995 1.00 0.00 H new ATOM 2073 N VAL A 138 -7.624 -11.911 3.119 1.00 0.00 N ATOM 2074 CA VAL A 138 -8.514 -12.915 2.570 1.00 0.00 C ATOM 2075 C VAL A 138 -8.724 -12.632 1.095 1.00 0.00 C ATOM 2076 O VAL A 138 -8.574 -11.490 0.651 1.00 0.00 O ATOM 2077 CB VAL A 138 -9.892 -12.931 3.264 1.00 0.00 C ATOM 2078 CG1 VAL A 138 -10.458 -14.340 3.305 1.00 0.00 C ATOM 2079 CG2 VAL A 138 -9.819 -12.328 4.663 1.00 0.00 C ATOM 0 H VAL A 138 -7.990 -10.960 3.087 1.00 0.00 H new ATOM 0 HA VAL A 138 -8.047 -13.887 2.731 1.00 0.00 H new ATOM 0 HB VAL A 138 -10.568 -12.310 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -11.430 -14.328 3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -10.572 -14.716 2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -9.779 -14.989 3.858 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -10.807 -12.355 5.123 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -9.120 -12.902 5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -9.478 -11.295 4.597 1.00 0.00 H new ATOM 2089 N ARG A 139 -9.063 -13.657 0.339 1.00 0.00 N ATOM 2090 CA ARG A 139 -9.332 -13.492 -1.077 1.00 0.00 C ATOM 2091 C ARG A 139 -10.663 -12.781 -1.283 1.00 0.00 C ATOM 2092 O ARG A 139 -11.637 -13.061 -0.583 1.00 0.00 O ATOM 2093 CB ARG A 139 -9.349 -14.843 -1.792 1.00 0.00 C ATOM 2094 CG ARG A 139 -7.966 -15.395 -2.099 1.00 0.00 C ATOM 2095 CD ARG A 139 -8.053 -16.670 -2.923 1.00 0.00 C ATOM 2096 NE ARG A 139 -8.817 -16.478 -4.158 1.00 0.00 N ATOM 2097 CZ ARG A 139 -8.817 -17.331 -5.180 1.00 0.00 C ATOM 2098 NH1 ARG A 139 -8.065 -18.424 -5.150 1.00 0.00 N ATOM 2099 NH2 ARG A 139 -9.571 -17.086 -6.242 1.00 0.00 N ATOM 0 H ARG A 139 -9.159 -14.613 0.681 1.00 0.00 H new ATOM 0 HA ARG A 139 -8.533 -12.886 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.888 -15.562 -1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -9.905 -14.743 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -7.385 -14.648 -2.640 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -7.437 -15.596 -1.168 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -7.047 -17.011 -3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -8.519 -17.455 -2.327 1.00 0.00 H new ATOM 0 HE ARG A 139 -9.386 -15.636 -4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -7.479 -18.618 -4.338 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -8.073 -19.070 -5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -10.149 -16.246 -6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -9.573 -17.737 -7.027 1.00 0.00 H new ATOM 2113 N PRO A 140 -10.715 -11.834 -2.227 1.00 0.00 N ATOM 2114 CA PRO A 140 -11.947 -11.120 -2.560 1.00 0.00 C ATOM 2115 C PRO A 140 -12.962 -12.046 -3.220 1.00 0.00 C ATOM 2116 O PRO A 140 -12.708 -12.592 -4.294 1.00 0.00 O ATOM 2117 CB PRO A 140 -11.494 -10.024 -3.541 1.00 0.00 C ATOM 2118 CG PRO A 140 -10.004 -9.993 -3.449 1.00 0.00 C ATOM 2119 CD PRO A 140 -9.583 -11.375 -3.042 1.00 0.00 C ATOM 0 HA PRO A 140 -12.441 -10.717 -1.676 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -11.819 -10.248 -4.557 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -11.923 -9.058 -3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -9.560 -9.716 -4.405 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -9.674 -9.254 -2.719 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -9.420 -12.019 -3.906 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -8.653 -11.363 -2.473 1.00 0.00 H new ATOM 2127 N ASP A 141 -14.093 -12.245 -2.556 1.00 0.00 N ATOM 2128 CA ASP A 141 -15.143 -13.110 -3.082 1.00 0.00 C ATOM 2129 C ASP A 141 -15.939 -12.382 -4.157 1.00 0.00 C ATOM 2130 O ASP A 141 -16.639 -11.410 -3.869 1.00 0.00 O ATOM 2131 CB ASP A 141 -16.088 -13.573 -1.966 1.00 0.00 C ATOM 2132 CG ASP A 141 -15.399 -14.434 -0.927 1.00 0.00 C ATOM 2133 OD1 ASP A 141 -14.991 -15.567 -1.261 1.00 0.00 O ATOM 2134 OD2 ASP A 141 -15.270 -13.987 0.234 1.00 0.00 O ATOM 0 H ASP A 141 -14.307 -11.820 -1.654 1.00 0.00 H new ATOM 0 HA ASP A 141 -14.665 -13.987 -3.518 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -16.520 -12.700 -1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -16.913 -14.134 -2.405 1.00 0.00 H new