USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 757 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 MET CE :methyl 177:sc= -1.05 (180deg=-1.08) USER MOD Set 1.2: A 85 GLN : amide:sc= -0.143 K(o=-1.2,f=-3!) USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0416 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.042) USER MOD Single : A 25 SER OG : rot 54:sc= 1.21 USER MOD Single : A 27 THR OG1 : rot 64:sc= 0.408 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -3.22! X(o=-3.2!,f=-2.9) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.62 X(o=-1.6,f=-1.4) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 161:sc= -0.0249 (180deg=-0.232) USER MOD Single : A 53 THR OG1 : rot -68:sc= 1.23 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.133 X(o=-0.13,f=-0.46) USER MOD Single : A 64 THR OG1 : rot -79:sc= 0.0454 USER MOD Single : A 69 LYS NZ :NH3+ -117:sc= -0.375 (180deg=-2.28!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0063 K(o=-0.0063,f=-1.2!) USER MOD Single : A 89 MET CE :methyl -137:sc= -1.19 (180deg=-5.24!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -2.12 K(o=-2.1,f=-6.7!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.155 -12.081 -50.418 1.00 0.00 N ATOM 2 CA GLY A 1 -26.947 -11.651 -49.738 1.00 0.00 C ATOM 3 C GLY A 1 -26.509 -10.262 -50.156 1.00 0.00 C ATOM 4 O GLY A 1 -26.807 -9.817 -51.264 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.965 -11.998 -49.772 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.315 -11.482 -51.253 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.051 -13.072 -50.717 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.115 -11.667 -48.661 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.145 -12.359 -49.946 1.00 0.00 H new ATOM 8 N SER A 2 -25.801 -9.574 -49.267 1.00 0.00 N ATOM 9 CA SER A 2 -25.325 -8.224 -49.547 1.00 0.00 C ATOM 10 C SER A 2 -24.215 -7.827 -48.579 1.00 0.00 C ATOM 11 O SER A 2 -24.042 -8.445 -47.528 1.00 0.00 O ATOM 12 CB SER A 2 -26.480 -7.225 -49.454 1.00 0.00 C ATOM 13 OG SER A 2 -26.926 -7.085 -48.117 1.00 0.00 O ATOM 0 H SER A 2 -25.544 -9.929 -48.346 1.00 0.00 H new ATOM 0 HA SER A 2 -24.922 -8.210 -50.559 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.159 -6.256 -49.837 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.305 -7.559 -50.083 1.00 0.00 H new ATOM 0 HG SER A 2 -27.663 -6.440 -48.084 1.00 0.00 H new ATOM 19 N SER A 3 -23.464 -6.792 -48.942 1.00 0.00 N ATOM 20 CA SER A 3 -22.367 -6.314 -48.109 1.00 0.00 C ATOM 21 C SER A 3 -21.888 -4.942 -48.576 1.00 0.00 C ATOM 22 O SER A 3 -21.372 -4.796 -49.683 1.00 0.00 O ATOM 23 CB SER A 3 -21.206 -7.309 -48.137 1.00 0.00 C ATOM 24 OG SER A 3 -20.410 -7.198 -46.970 1.00 0.00 O ATOM 0 H SER A 3 -23.595 -6.268 -49.807 1.00 0.00 H new ATOM 0 HA SER A 3 -22.733 -6.223 -47.086 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.595 -8.324 -48.220 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.591 -7.130 -49.019 1.00 0.00 H new ATOM 0 HG SER A 3 -19.676 -7.846 -47.012 1.00 0.00 H new ATOM 30 N GLY A 4 -22.064 -3.939 -47.721 1.00 0.00 N ATOM 31 CA GLY A 4 -21.645 -2.592 -48.062 1.00 0.00 C ATOM 32 C GLY A 4 -20.430 -2.145 -47.274 1.00 0.00 C ATOM 33 O GLY A 4 -19.731 -2.966 -46.680 1.00 0.00 O ATOM 0 H GLY A 4 -22.489 -4.035 -46.799 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.421 -2.544 -49.128 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.468 -1.901 -47.878 1.00 0.00 H new ATOM 37 N SER A 5 -20.175 -0.841 -47.271 1.00 0.00 N ATOM 38 CA SER A 5 -19.032 -0.287 -46.555 1.00 0.00 C ATOM 39 C SER A 5 -19.071 1.238 -46.568 1.00 0.00 C ATOM 40 O SER A 5 -19.222 1.858 -47.620 1.00 0.00 O ATOM 41 CB SER A 5 -17.725 -0.780 -47.179 1.00 0.00 C ATOM 42 OG SER A 5 -16.606 -0.368 -46.412 1.00 0.00 O ATOM 0 H SER A 5 -20.745 -0.148 -47.756 1.00 0.00 H new ATOM 0 HA SER A 5 -19.083 -0.626 -45.520 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.740 -1.868 -47.251 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.635 -0.395 -48.195 1.00 0.00 H new ATOM 0 HG SER A 5 -15.783 -0.697 -46.831 1.00 0.00 H new ATOM 48 N SER A 6 -18.933 1.837 -45.389 1.00 0.00 N ATOM 49 CA SER A 6 -18.956 3.289 -45.261 1.00 0.00 C ATOM 50 C SER A 6 -18.119 3.743 -44.069 1.00 0.00 C ATOM 51 O SER A 6 -17.558 2.925 -43.342 1.00 0.00 O ATOM 52 CB SER A 6 -20.394 3.786 -45.108 1.00 0.00 C ATOM 53 OG SER A 6 -20.986 3.280 -43.924 1.00 0.00 O ATOM 0 H SER A 6 -18.804 1.338 -44.509 1.00 0.00 H new ATOM 0 HA SER A 6 -18.527 3.716 -46.167 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.405 4.876 -45.087 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.982 3.478 -45.973 1.00 0.00 H new ATOM 0 HG SER A 6 -21.904 3.614 -43.849 1.00 0.00 H new ATOM 59 N GLY A 7 -18.042 5.056 -43.874 1.00 0.00 N ATOM 60 CA GLY A 7 -17.272 5.598 -42.769 1.00 0.00 C ATOM 61 C GLY A 7 -16.885 7.048 -42.988 1.00 0.00 C ATOM 62 O GLY A 7 -16.735 7.491 -44.125 1.00 0.00 O ATOM 0 H GLY A 7 -18.499 5.754 -44.461 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.853 5.515 -41.850 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.370 5.001 -42.631 1.00 0.00 H new ATOM 66 N GLU A 8 -16.724 7.787 -41.895 1.00 0.00 N ATOM 67 CA GLU A 8 -16.354 9.195 -41.974 1.00 0.00 C ATOM 68 C GLU A 8 -15.343 9.554 -40.889 1.00 0.00 C ATOM 69 O GLU A 8 -15.391 9.045 -39.768 1.00 0.00 O ATOM 70 CB GLU A 8 -17.596 10.080 -41.842 1.00 0.00 C ATOM 71 CG GLU A 8 -18.616 9.865 -42.948 1.00 0.00 C ATOM 72 CD GLU A 8 -20.035 10.152 -42.496 1.00 0.00 C ATOM 73 OE1 GLU A 8 -20.406 11.342 -42.421 1.00 0.00 O ATOM 74 OE2 GLU A 8 -20.776 9.184 -42.219 1.00 0.00 O ATOM 0 H GLU A 8 -16.844 7.434 -40.945 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.894 9.369 -42.947 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -18.070 9.886 -40.880 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.288 11.126 -41.841 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -18.371 10.508 -43.793 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.552 8.836 -43.301 1.00 0.00 H new ATOM 81 N PRO A 9 -14.405 10.450 -41.227 1.00 0.00 N ATOM 82 CA PRO A 9 -13.364 10.897 -40.297 1.00 0.00 C ATOM 83 C PRO A 9 -13.924 11.763 -39.174 1.00 0.00 C ATOM 84 O PRO A 9 -15.093 12.145 -39.197 1.00 0.00 O ATOM 85 CB PRO A 9 -12.423 11.715 -41.185 1.00 0.00 C ATOM 86 CG PRO A 9 -13.277 12.184 -42.312 1.00 0.00 C ATOM 87 CD PRO A 9 -14.287 11.096 -42.545 1.00 0.00 C ATOM 0 HA PRO A 9 -12.878 10.060 -39.795 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.993 12.554 -40.638 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.591 11.109 -41.544 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.767 13.126 -42.065 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.680 12.361 -43.207 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.242 11.500 -42.881 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -13.952 10.393 -43.308 1.00 0.00 H new ATOM 95 N GLU A 10 -13.082 12.068 -38.192 1.00 0.00 N ATOM 96 CA GLU A 10 -13.494 12.890 -37.060 1.00 0.00 C ATOM 97 C GLU A 10 -12.310 13.190 -36.145 1.00 0.00 C ATOM 98 O GLU A 10 -11.536 12.297 -35.798 1.00 0.00 O ATOM 99 CB GLU A 10 -14.599 12.187 -36.268 1.00 0.00 C ATOM 100 CG GLU A 10 -14.178 10.843 -35.697 1.00 0.00 C ATOM 101 CD GLU A 10 -14.084 9.762 -36.756 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.143 9.266 -37.193 1.00 0.00 O ATOM 103 OE2 GLU A 10 -12.951 9.413 -37.147 1.00 0.00 O ATOM 0 H GLU A 10 -12.111 11.758 -38.157 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.878 13.833 -37.449 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.918 12.835 -35.452 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.463 12.042 -36.916 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.211 10.949 -35.204 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.893 10.537 -34.933 1.00 0.00 H new ATOM 110 N LYS A 11 -12.174 14.454 -35.759 1.00 0.00 N ATOM 111 CA LYS A 11 -11.086 14.874 -34.885 1.00 0.00 C ATOM 112 C LYS A 11 -11.555 15.952 -33.913 1.00 0.00 C ATOM 113 O LYS A 11 -11.820 17.088 -34.310 1.00 0.00 O ATOM 114 CB LYS A 11 -9.911 15.397 -35.715 1.00 0.00 C ATOM 115 CG LYS A 11 -8.562 15.216 -35.040 1.00 0.00 C ATOM 116 CD LYS A 11 -8.211 16.408 -34.165 1.00 0.00 C ATOM 117 CE LYS A 11 -7.651 17.557 -34.989 1.00 0.00 C ATOM 118 NZ LYS A 11 -6.211 17.360 -35.310 1.00 0.00 N ATOM 0 H LYS A 11 -12.804 15.206 -36.038 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.760 14.008 -34.310 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.899 14.883 -36.676 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.066 16.456 -35.921 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.576 14.310 -34.434 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.790 15.080 -35.798 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.100 16.742 -33.629 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.480 16.107 -33.414 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.220 17.651 -35.914 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.776 18.491 -34.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.867 18.165 -35.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.664 17.296 -34.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.094 16.482 -35.855 1.00 0.00 H new ATOM 132 N LEU A 12 -11.654 15.591 -32.638 1.00 0.00 N ATOM 133 CA LEU A 12 -12.089 16.527 -31.608 1.00 0.00 C ATOM 134 C LEU A 12 -10.913 16.972 -30.744 1.00 0.00 C ATOM 135 O LEU A 12 -10.222 16.148 -30.147 1.00 0.00 O ATOM 136 CB LEU A 12 -13.167 15.888 -30.732 1.00 0.00 C ATOM 137 CG LEU A 12 -14.377 15.313 -31.470 1.00 0.00 C ATOM 138 CD1 LEU A 12 -14.123 13.867 -31.867 1.00 0.00 C ATOM 139 CD2 LEU A 12 -15.627 15.419 -30.609 1.00 0.00 C ATOM 0 H LEU A 12 -11.439 14.656 -32.293 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.505 17.405 -32.103 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.708 15.089 -30.150 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.521 16.636 -30.022 1.00 0.00 H new ATOM 0 HG LEU A 12 -14.534 15.895 -32.378 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -14.995 13.475 -32.391 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.253 13.817 -32.522 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.939 13.271 -30.973 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -16.478 15.005 -31.150 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -15.480 14.862 -29.684 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.820 16.466 -30.375 1.00 0.00 H new ATOM 151 N GLY A 13 -10.694 18.282 -30.680 1.00 0.00 N ATOM 152 CA GLY A 13 -9.603 18.813 -29.885 1.00 0.00 C ATOM 153 C GLY A 13 -10.085 19.487 -28.615 1.00 0.00 C ATOM 154 O GLY A 13 -10.121 20.714 -28.533 1.00 0.00 O ATOM 0 H GLY A 13 -11.253 18.984 -31.165 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.919 18.005 -29.626 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.038 19.530 -30.481 1.00 0.00 H new ATOM 158 N GLN A 14 -10.458 18.683 -27.625 1.00 0.00 N ATOM 159 CA GLN A 14 -10.943 19.209 -26.356 1.00 0.00 C ATOM 160 C GLN A 14 -10.165 18.614 -25.186 1.00 0.00 C ATOM 161 O GLN A 14 -10.616 17.664 -24.548 1.00 0.00 O ATOM 162 CB GLN A 14 -12.435 18.915 -26.193 1.00 0.00 C ATOM 163 CG GLN A 14 -13.310 19.623 -27.215 1.00 0.00 C ATOM 164 CD GLN A 14 -14.791 19.455 -26.932 1.00 0.00 C ATOM 165 OE1 GLN A 14 -15.197 19.260 -25.786 1.00 0.00 O ATOM 166 NE2 GLN A 14 -15.605 19.530 -27.978 1.00 0.00 N ATOM 0 H GLN A 14 -10.433 17.665 -27.678 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.791 20.288 -26.359 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -12.596 17.840 -26.272 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -12.748 19.211 -25.192 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.064 20.685 -27.225 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -13.088 19.235 -28.209 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.224 19.693 -28.910 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -16.611 19.425 -27.850 1.00 0.00 H new ATOM 175 N ALA A 15 -8.995 19.180 -24.912 1.00 0.00 N ATOM 176 CA ALA A 15 -8.154 18.707 -23.819 1.00 0.00 C ATOM 177 C ALA A 15 -7.760 19.853 -22.894 1.00 0.00 C ATOM 178 O ALA A 15 -7.224 20.868 -23.341 1.00 0.00 O ATOM 179 CB ALA A 15 -6.914 18.017 -24.367 1.00 0.00 C ATOM 0 H ALA A 15 -8.607 19.967 -25.432 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.729 17.987 -23.237 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.296 17.669 -23.540 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.212 17.166 -24.980 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.345 18.720 -24.975 1.00 0.00 H new ATOM 185 N LEU A 16 -8.026 19.685 -21.603 1.00 0.00 N ATOM 186 CA LEU A 16 -7.698 20.706 -20.615 1.00 0.00 C ATOM 187 C LEU A 16 -7.010 20.089 -19.401 1.00 0.00 C ATOM 188 O LEU A 16 -7.410 19.028 -18.920 1.00 0.00 O ATOM 189 CB LEU A 16 -8.965 21.444 -20.177 1.00 0.00 C ATOM 190 CG LEU A 16 -9.863 20.705 -19.185 1.00 0.00 C ATOM 191 CD1 LEU A 16 -9.453 21.020 -17.755 1.00 0.00 C ATOM 192 CD2 LEU A 16 -11.324 21.068 -19.415 1.00 0.00 C ATOM 0 H LEU A 16 -8.468 18.851 -21.216 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.011 21.416 -21.076 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.672 22.395 -19.732 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.552 21.675 -21.066 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.745 19.634 -19.347 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.104 20.485 -17.064 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.420 20.709 -17.596 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.540 22.092 -17.579 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.949 20.533 -18.700 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.458 22.141 -19.281 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.613 20.790 -20.429 1.00 0.00 H new ATOM 204 N THR A 17 -5.974 20.761 -18.910 1.00 0.00 N ATOM 205 CA THR A 17 -5.230 20.279 -17.753 1.00 0.00 C ATOM 206 C THR A 17 -5.423 21.201 -16.553 1.00 0.00 C ATOM 207 O THR A 17 -5.713 22.386 -16.711 1.00 0.00 O ATOM 208 CB THR A 17 -3.726 20.163 -18.060 1.00 0.00 C ATOM 209 OG1 THR A 17 -3.230 21.409 -18.560 1.00 0.00 O ATOM 210 CG2 THR A 17 -3.465 19.063 -19.078 1.00 0.00 C ATOM 0 H THR A 17 -5.631 21.641 -19.296 1.00 0.00 H new ATOM 0 HA THR A 17 -5.621 19.290 -17.515 1.00 0.00 H new ATOM 0 HB THR A 17 -3.208 19.911 -17.135 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.272 21.327 -18.751 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.396 19.000 -19.279 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.817 18.110 -18.682 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.995 19.290 -20.003 1.00 0.00 H new ATOM 218 N GLU A 18 -5.259 20.649 -15.356 1.00 0.00 N ATOM 219 CA GLU A 18 -5.415 21.423 -14.131 1.00 0.00 C ATOM 220 C GLU A 18 -4.103 21.480 -13.352 1.00 0.00 C ATOM 221 O GLU A 18 -4.037 21.071 -12.193 1.00 0.00 O ATOM 222 CB GLU A 18 -6.514 20.817 -13.254 1.00 0.00 C ATOM 223 CG GLU A 18 -6.389 19.314 -13.074 1.00 0.00 C ATOM 224 CD GLU A 18 -7.147 18.535 -14.131 1.00 0.00 C ATOM 225 OE1 GLU A 18 -8.385 18.684 -14.205 1.00 0.00 O ATOM 226 OE2 GLU A 18 -6.503 17.776 -14.884 1.00 0.00 O ATOM 0 H GLU A 18 -5.018 19.669 -15.208 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.699 22.438 -14.408 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.491 21.295 -12.275 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.485 21.042 -13.695 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.336 19.034 -13.107 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.761 19.038 -12.088 1.00 0.00 H new ATOM 233 N VAL A 19 -3.059 21.990 -13.999 1.00 0.00 N ATOM 234 CA VAL A 19 -1.750 22.102 -13.368 1.00 0.00 C ATOM 235 C VAL A 19 -1.620 23.410 -12.597 1.00 0.00 C ATOM 236 O VAL A 19 -0.525 23.799 -12.191 1.00 0.00 O ATOM 237 CB VAL A 19 -0.617 22.019 -14.409 1.00 0.00 C ATOM 238 CG1 VAL A 19 0.737 21.951 -13.721 1.00 0.00 C ATOM 239 CG2 VAL A 19 -0.820 20.819 -15.323 1.00 0.00 C ATOM 0 H VAL A 19 -3.095 22.332 -14.959 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.661 21.265 -12.675 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.642 22.921 -15.020 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.524 21.893 -14.472 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.881 22.844 -13.113 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.777 21.067 -13.084 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.011 20.776 -16.052 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.822 19.905 -14.729 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.773 20.915 -15.844 1.00 0.00 H new ATOM 249 N TYR A 20 -2.746 24.086 -12.397 1.00 0.00 N ATOM 250 CA TYR A 20 -2.760 25.353 -11.675 1.00 0.00 C ATOM 251 C TYR A 20 -3.104 25.137 -10.204 1.00 0.00 C ATOM 252 O TYR A 20 -3.632 26.032 -9.542 1.00 0.00 O ATOM 253 CB TYR A 20 -3.765 26.315 -12.310 1.00 0.00 C ATOM 254 CG TYR A 20 -3.391 27.772 -12.151 1.00 0.00 C ATOM 255 CD1 TYR A 20 -2.499 28.380 -13.027 1.00 0.00 C ATOM 256 CD2 TYR A 20 -3.930 28.540 -11.126 1.00 0.00 C ATOM 257 CE1 TYR A 20 -2.154 29.710 -12.885 1.00 0.00 C ATOM 258 CE2 TYR A 20 -3.592 29.870 -10.978 1.00 0.00 C ATOM 259 CZ TYR A 20 -2.704 30.452 -11.860 1.00 0.00 C ATOM 260 OH TYR A 20 -2.363 31.777 -11.715 1.00 0.00 O ATOM 0 H TYR A 20 -3.661 23.778 -12.725 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.763 25.789 -11.736 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.855 26.085 -13.372 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.746 26.149 -11.864 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.069 27.803 -13.832 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.625 28.089 -10.434 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.457 30.167 -13.573 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.020 30.453 -10.176 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.839 32.155 -10.946 1.00 0.00 H new ATOM 270 N ALA A 21 -2.801 23.946 -9.700 1.00 0.00 N ATOM 271 CA ALA A 21 -3.076 23.613 -8.308 1.00 0.00 C ATOM 272 C ALA A 21 -1.782 23.402 -7.529 1.00 0.00 C ATOM 273 O ALA A 21 -0.807 22.868 -8.058 1.00 0.00 O ATOM 274 CB ALA A 21 -3.953 22.373 -8.224 1.00 0.00 C ATOM 0 H ALA A 21 -2.365 23.195 -10.235 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.608 24.451 -7.858 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.150 22.137 -7.178 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.896 22.559 -8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.442 21.534 -8.696 1.00 0.00 H new ATOM 280 N LYS A 22 -1.780 23.822 -6.268 1.00 0.00 N ATOM 281 CA LYS A 22 -0.607 23.679 -5.415 1.00 0.00 C ATOM 282 C LYS A 22 -0.995 23.135 -4.044 1.00 0.00 C ATOM 283 O LYS A 22 -1.918 23.638 -3.405 1.00 0.00 O ATOM 284 CB LYS A 22 0.103 25.026 -5.259 1.00 0.00 C ATOM 285 CG LYS A 22 -0.818 26.153 -4.826 1.00 0.00 C ATOM 286 CD LYS A 22 -1.431 26.862 -6.023 1.00 0.00 C ATOM 287 CE LYS A 22 -2.601 27.741 -5.609 1.00 0.00 C ATOM 288 NZ LYS A 22 -2.154 29.089 -5.163 1.00 0.00 N ATOM 0 H LYS A 22 -2.579 24.265 -5.814 1.00 0.00 H new ATOM 0 HA LYS A 22 0.072 22.970 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.905 24.922 -4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.569 25.293 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.611 25.754 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.260 26.870 -4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.672 27.471 -6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.768 26.124 -6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.290 27.846 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.151 27.256 -4.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.982 29.656 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.517 28.991 -4.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.651 29.563 -5.940 1.00 0.00 H new ATOM 302 N ALA A 23 -0.283 22.105 -3.598 1.00 0.00 N ATOM 303 CA ALA A 23 -0.551 21.496 -2.301 1.00 0.00 C ATOM 304 C ALA A 23 0.689 20.794 -1.758 1.00 0.00 C ATOM 305 O ALA A 23 1.300 19.973 -2.441 1.00 0.00 O ATOM 306 CB ALA A 23 -1.710 20.516 -2.408 1.00 0.00 C ATOM 0 H ALA A 23 0.484 21.675 -4.116 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.823 22.289 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.899 20.069 -1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.603 21.043 -2.745 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.460 19.733 -3.124 1.00 0.00 H new ATOM 312 N ASN A 24 1.057 21.124 -0.524 1.00 0.00 N ATOM 313 CA ASN A 24 2.226 20.526 0.111 1.00 0.00 C ATOM 314 C ASN A 24 2.227 20.796 1.613 1.00 0.00 C ATOM 315 O ASN A 24 2.393 21.935 2.049 1.00 0.00 O ATOM 316 CB ASN A 24 3.509 21.074 -0.518 1.00 0.00 C ATOM 317 CG ASN A 24 4.665 20.097 -0.417 1.00 0.00 C ATOM 318 OD1 ASN A 24 5.736 20.435 0.085 1.00 0.00 O ATOM 319 ND2 ASN A 24 4.451 18.877 -0.894 1.00 0.00 N ATOM 0 H ASN A 24 0.563 21.802 0.056 1.00 0.00 H new ATOM 0 HA ASN A 24 2.183 19.448 -0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.325 21.308 -1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.782 22.008 -0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.191 18.176 -0.853 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.547 18.640 -1.302 1.00 0.00 H new ATOM 326 N SER A 25 2.041 19.740 2.398 1.00 0.00 N ATOM 327 CA SER A 25 2.018 19.862 3.851 1.00 0.00 C ATOM 328 C SER A 25 1.950 18.489 4.511 1.00 0.00 C ATOM 329 O SER A 25 1.690 17.482 3.851 1.00 0.00 O ATOM 330 CB SER A 25 0.825 20.712 4.293 1.00 0.00 C ATOM 331 OG SER A 25 1.167 22.086 4.340 1.00 0.00 O ATOM 0 H SER A 25 1.904 18.790 2.052 1.00 0.00 H new ATOM 0 HA SER A 25 2.940 20.351 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.006 20.564 3.603 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.486 20.385 5.276 1.00 0.00 H new ATOM 0 HG SER A 25 1.548 22.358 3.479 1.00 0.00 H new ATOM 337 N PHE A 26 2.187 18.455 5.818 1.00 0.00 N ATOM 338 CA PHE A 26 2.154 17.205 6.570 1.00 0.00 C ATOM 339 C PHE A 26 0.880 16.421 6.266 1.00 0.00 C ATOM 340 O PHE A 26 -0.227 16.876 6.556 1.00 0.00 O ATOM 341 CB PHE A 26 2.249 17.485 8.071 1.00 0.00 C ATOM 342 CG PHE A 26 2.597 16.272 8.885 1.00 0.00 C ATOM 343 CD1 PHE A 26 3.713 15.511 8.576 1.00 0.00 C ATOM 344 CD2 PHE A 26 1.811 15.894 9.961 1.00 0.00 C ATOM 345 CE1 PHE A 26 4.036 14.394 9.324 1.00 0.00 C ATOM 346 CE2 PHE A 26 2.129 14.779 10.713 1.00 0.00 C ATOM 347 CZ PHE A 26 3.244 14.029 10.394 1.00 0.00 C ATOM 0 H PHE A 26 2.404 19.279 6.379 1.00 0.00 H new ATOM 0 HA PHE A 26 3.011 16.604 6.265 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.001 18.256 8.242 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.297 17.886 8.419 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.338 15.794 7.741 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.939 16.478 10.215 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.907 13.808 9.071 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.507 14.495 11.549 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.496 13.158 10.981 1.00 0.00 H new ATOM 357 N THR A 27 1.045 15.240 5.678 1.00 0.00 N ATOM 358 CA THR A 27 -0.090 14.393 5.334 1.00 0.00 C ATOM 359 C THR A 27 0.113 12.970 5.840 1.00 0.00 C ATOM 360 O THR A 27 1.117 12.328 5.531 1.00 0.00 O ATOM 361 CB THR A 27 -0.321 14.357 3.812 1.00 0.00 C ATOM 362 OG1 THR A 27 -0.673 15.661 3.338 1.00 0.00 O ATOM 363 CG2 THR A 27 -1.422 13.369 3.454 1.00 0.00 C ATOM 0 H THR A 27 1.954 14.849 5.430 1.00 0.00 H new ATOM 0 HA THR A 27 -0.966 14.825 5.817 1.00 0.00 H new ATOM 0 HB THR A 27 0.605 14.035 3.335 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.079 16.274 3.477 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.567 13.361 2.374 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.139 12.371 3.789 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.350 13.666 3.942 1.00 0.00 H new ATOM 371 N VAL A 28 -0.848 12.481 6.617 1.00 0.00 N ATOM 372 CA VAL A 28 -0.775 11.131 7.164 1.00 0.00 C ATOM 373 C VAL A 28 -1.992 10.307 6.759 1.00 0.00 C ATOM 374 O VAL A 28 -3.113 10.582 7.189 1.00 0.00 O ATOM 375 CB VAL A 28 -0.674 11.153 8.701 1.00 0.00 C ATOM 376 CG1 VAL A 28 -0.437 9.751 9.241 1.00 0.00 C ATOM 377 CG2 VAL A 28 0.431 12.098 9.148 1.00 0.00 C ATOM 0 H VAL A 28 -1.686 12.999 6.882 1.00 0.00 H new ATOM 0 HA VAL A 28 0.125 10.672 6.754 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.619 11.517 9.105 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.368 9.787 10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.265 9.104 8.951 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.493 9.356 8.832 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.489 12.101 10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.383 11.765 8.735 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.214 13.105 8.793 1.00 0.00 H new ATOM 387 N SER A 29 -1.764 9.295 5.927 1.00 0.00 N ATOM 388 CA SER A 29 -2.843 8.433 5.460 1.00 0.00 C ATOM 389 C SER A 29 -2.518 6.965 5.724 1.00 0.00 C ATOM 390 O SER A 29 -1.368 6.609 5.976 1.00 0.00 O ATOM 391 CB SER A 29 -3.089 8.651 3.966 1.00 0.00 C ATOM 392 OG SER A 29 -3.743 9.886 3.732 1.00 0.00 O ATOM 0 H SER A 29 -0.842 9.053 5.563 1.00 0.00 H new ATOM 0 HA SER A 29 -3.747 8.693 6.011 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.139 8.632 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.694 7.835 3.571 1.00 0.00 H new ATOM 0 HG SER A 29 -3.887 10.003 2.770 1.00 0.00 H new ATOM 398 N SER A 30 -3.541 6.119 5.664 1.00 0.00 N ATOM 399 CA SER A 30 -3.367 4.691 5.900 1.00 0.00 C ATOM 400 C SER A 30 -3.660 3.891 4.634 1.00 0.00 C ATOM 401 O SER A 30 -4.401 4.340 3.760 1.00 0.00 O ATOM 402 CB SER A 30 -4.282 4.224 7.034 1.00 0.00 C ATOM 403 OG SER A 30 -5.531 4.891 6.988 1.00 0.00 O ATOM 0 H SER A 30 -4.499 6.398 5.454 1.00 0.00 H new ATOM 0 HA SER A 30 -2.329 4.520 6.186 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.438 3.148 6.960 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.801 4.411 7.994 1.00 0.00 H new ATOM 0 HG SER A 30 -6.098 4.574 7.722 1.00 0.00 H new ATOM 409 N VAL A 31 -3.071 2.703 4.543 1.00 0.00 N ATOM 410 CA VAL A 31 -3.269 1.839 3.385 1.00 0.00 C ATOM 411 C VAL A 31 -3.809 0.475 3.802 1.00 0.00 C ATOM 412 O VAL A 31 -3.142 -0.277 4.512 1.00 0.00 O ATOM 413 CB VAL A 31 -1.957 1.641 2.602 1.00 0.00 C ATOM 414 CG1 VAL A 31 -2.170 0.688 1.436 1.00 0.00 C ATOM 415 CG2 VAL A 31 -1.421 2.980 2.117 1.00 0.00 C ATOM 0 H VAL A 31 -2.453 2.317 5.257 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.997 2.334 2.742 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.217 1.199 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.233 0.560 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.506 -0.278 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.924 1.098 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.494 2.823 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.156 3.451 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.229 3.627 2.973 1.00 0.00 H new ATOM 425 N ALA A 32 -5.021 0.164 3.357 1.00 0.00 N ATOM 426 CA ALA A 32 -5.650 -1.111 3.683 1.00 0.00 C ATOM 427 C ALA A 32 -4.789 -2.282 3.222 1.00 0.00 C ATOM 428 O ALA A 32 -4.776 -2.628 2.042 1.00 0.00 O ATOM 429 CB ALA A 32 -7.034 -1.192 3.054 1.00 0.00 C ATOM 0 H ALA A 32 -5.587 0.776 2.770 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.750 -1.172 4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.492 -2.149 3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.655 -0.381 3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.947 -1.104 1.971 1.00 0.00 H new ATOM 435 N ALA A 33 -4.070 -2.886 4.162 1.00 0.00 N ATOM 436 CA ALA A 33 -3.206 -4.019 3.852 1.00 0.00 C ATOM 437 C ALA A 33 -3.273 -5.076 4.949 1.00 0.00 C ATOM 438 O ALA A 33 -3.370 -4.768 6.137 1.00 0.00 O ATOM 439 CB ALA A 33 -1.772 -3.551 3.656 1.00 0.00 C ATOM 0 H ALA A 33 -4.068 -2.610 5.144 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.559 -4.471 2.925 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.138 -4.407 3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.731 -2.837 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.417 -3.073 4.569 1.00 0.00 H new ATOM 445 N PRO A 34 -3.222 -6.354 4.544 1.00 0.00 N ATOM 446 CA PRO A 34 -3.276 -7.483 5.477 1.00 0.00 C ATOM 447 C PRO A 34 -2.013 -7.598 6.322 1.00 0.00 C ATOM 448 O PRO A 34 -1.033 -6.888 6.092 1.00 0.00 O ATOM 449 CB PRO A 34 -3.416 -8.698 4.557 1.00 0.00 C ATOM 450 CG PRO A 34 -2.814 -8.265 3.264 1.00 0.00 C ATOM 451 CD PRO A 34 -3.106 -6.795 3.143 1.00 0.00 C ATOM 0 HA PRO A 34 -4.089 -7.379 6.195 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.897 -9.565 4.965 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.461 -8.982 4.432 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.740 -8.452 3.252 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.244 -8.818 2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.307 -6.268 2.621 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.025 -6.612 2.587 1.00 0.00 H new ATOM 459 N SER A 35 -2.040 -8.497 7.301 1.00 0.00 N ATOM 460 CA SER A 35 -0.896 -8.702 8.184 1.00 0.00 C ATOM 461 C SER A 35 -0.375 -10.130 8.073 1.00 0.00 C ATOM 462 O SER A 35 0.728 -10.437 8.526 1.00 0.00 O ATOM 463 CB SER A 35 -1.283 -8.397 9.632 1.00 0.00 C ATOM 464 OG SER A 35 -2.092 -9.427 10.171 1.00 0.00 O ATOM 0 H SER A 35 -2.841 -9.095 7.503 1.00 0.00 H new ATOM 0 HA SER A 35 -0.103 -8.020 7.877 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.383 -8.284 10.236 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.819 -7.449 9.677 1.00 0.00 H new ATOM 0 HG SER A 35 -2.324 -9.209 11.098 1.00 0.00 H new ATOM 470 N TRP A 36 -1.177 -11.001 7.469 1.00 0.00 N ATOM 471 CA TRP A 36 -0.797 -12.399 7.300 1.00 0.00 C ATOM 472 C TRP A 36 0.364 -12.533 6.321 1.00 0.00 C ATOM 473 O TRP A 36 1.061 -13.549 6.304 1.00 0.00 O ATOM 474 CB TRP A 36 -1.992 -13.217 6.809 1.00 0.00 C ATOM 475 CG TRP A 36 -2.582 -12.700 5.532 1.00 0.00 C ATOM 476 CD1 TRP A 36 -3.604 -11.803 5.406 1.00 0.00 C ATOM 477 CD2 TRP A 36 -2.185 -13.049 4.201 1.00 0.00 C ATOM 478 NE1 TRP A 36 -3.868 -11.574 4.077 1.00 0.00 N ATOM 479 CE2 TRP A 36 -3.010 -12.325 3.318 1.00 0.00 C ATOM 480 CE3 TRP A 36 -1.213 -13.901 3.671 1.00 0.00 C ATOM 481 CZ2 TRP A 36 -2.891 -12.431 1.935 1.00 0.00 C ATOM 482 CZ3 TRP A 36 -1.095 -14.003 2.297 1.00 0.00 C ATOM 483 CH2 TRP A 36 -1.930 -13.272 1.442 1.00 0.00 C ATOM 0 H TRP A 36 -2.093 -10.764 7.089 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.476 -12.783 8.269 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.680 -14.251 6.664 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.762 -13.221 7.581 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.128 -11.341 6.230 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.586 -10.947 3.715 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.566 -14.469 4.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.534 -11.869 1.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.346 -14.657 1.876 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.813 -13.374 0.373 1.00 0.00 H new ATOM 494 N LEU A 37 0.567 -11.503 5.507 1.00 0.00 N ATOM 495 CA LEU A 37 1.645 -11.506 4.524 1.00 0.00 C ATOM 496 C LEU A 37 2.754 -10.541 4.928 1.00 0.00 C ATOM 497 O LEU A 37 3.527 -10.078 4.088 1.00 0.00 O ATOM 498 CB LEU A 37 1.104 -11.129 3.143 1.00 0.00 C ATOM 499 CG LEU A 37 0.140 -9.943 3.101 1.00 0.00 C ATOM 500 CD1 LEU A 37 0.886 -8.641 3.349 1.00 0.00 C ATOM 501 CD2 LEU A 37 -0.591 -9.896 1.767 1.00 0.00 C ATOM 0 H LEU A 37 -0.000 -10.655 5.508 1.00 0.00 H new ATOM 0 HA LEU A 37 2.062 -12.512 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.949 -10.908 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.598 -11.998 2.724 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.599 -10.071 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.184 -7.808 3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.362 -8.675 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.647 -8.506 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.273 -9.046 1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.133 -9.792 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.158 -10.817 1.630 1.00 0.00 H new ATOM 513 N HIS A 38 2.829 -10.241 6.222 1.00 0.00 N ATOM 514 CA HIS A 38 3.845 -9.333 6.739 1.00 0.00 C ATOM 515 C HIS A 38 5.247 -9.863 6.449 1.00 0.00 C ATOM 516 O HIS A 38 6.132 -9.113 6.036 1.00 0.00 O ATOM 517 CB HIS A 38 3.665 -9.135 8.245 1.00 0.00 C ATOM 518 CG HIS A 38 2.762 -7.993 8.595 1.00 0.00 C ATOM 519 ND1 HIS A 38 2.383 -7.702 9.888 1.00 0.00 N ATOM 520 CD2 HIS A 38 2.163 -7.066 7.811 1.00 0.00 C ATOM 521 CE1 HIS A 38 1.588 -6.647 9.885 1.00 0.00 C ATOM 522 NE2 HIS A 38 1.439 -6.242 8.637 1.00 0.00 N ATOM 0 H HIS A 38 2.197 -10.614 6.931 1.00 0.00 H new ATOM 0 HA HIS A 38 3.727 -8.373 6.237 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.263 -10.051 8.678 1.00 0.00 H new ATOM 0 HB3 HIS A 38 4.641 -8.968 8.700 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.240 -6.989 6.737 1.00 0.00 H new ATOM 0 HE1 HIS A 38 1.137 -6.193 10.755 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.877 -5.446 8.335 1.00 0.00 H new ATOM 530 N ARG A 39 5.440 -11.160 6.667 1.00 0.00 N ATOM 531 CA ARG A 39 6.734 -11.789 6.430 1.00 0.00 C ATOM 532 C ARG A 39 7.143 -11.658 4.967 1.00 0.00 C ATOM 533 O ARG A 39 8.303 -11.868 4.614 1.00 0.00 O ATOM 534 CB ARG A 39 6.687 -13.266 6.827 1.00 0.00 C ATOM 535 CG ARG A 39 5.856 -14.123 5.885 1.00 0.00 C ATOM 536 CD ARG A 39 6.318 -15.572 5.898 1.00 0.00 C ATOM 537 NE ARG A 39 5.661 -16.347 6.948 1.00 0.00 N ATOM 538 CZ ARG A 39 4.370 -16.664 6.929 1.00 0.00 C ATOM 539 NH1 ARG A 39 3.603 -16.275 5.920 1.00 0.00 N ATOM 540 NH2 ARG A 39 3.846 -17.371 7.921 1.00 0.00 N ATOM 0 H ARG A 39 4.718 -11.795 7.007 1.00 0.00 H new ATOM 0 HA ARG A 39 7.476 -11.278 7.044 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.704 -13.657 6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.281 -13.350 7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.806 -14.072 6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.927 -13.726 4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.112 -16.027 4.929 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.398 -15.607 6.043 1.00 0.00 H new ATOM 0 HE ARG A 39 6.223 -16.662 7.739 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.003 -15.731 5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.613 -16.520 5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.433 -17.672 8.699 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.856 -17.614 7.906 1.00 0.00 H new ATOM 554 N PHE A 40 6.182 -11.309 4.118 1.00 0.00 N ATOM 555 CA PHE A 40 6.441 -11.151 2.691 1.00 0.00 C ATOM 556 C PHE A 40 6.538 -9.675 2.316 1.00 0.00 C ATOM 557 O PHE A 40 7.343 -9.291 1.468 1.00 0.00 O ATOM 558 CB PHE A 40 5.337 -11.825 1.874 1.00 0.00 C ATOM 559 CG PHE A 40 5.399 -13.325 1.905 1.00 0.00 C ATOM 560 CD1 PHE A 40 6.511 -13.997 1.424 1.00 0.00 C ATOM 561 CD2 PHE A 40 4.344 -14.065 2.416 1.00 0.00 C ATOM 562 CE1 PHE A 40 6.570 -15.377 1.451 1.00 0.00 C ATOM 563 CE2 PHE A 40 4.397 -15.445 2.447 1.00 0.00 C ATOM 564 CZ PHE A 40 5.513 -16.102 1.964 1.00 0.00 C ATOM 0 H PHE A 40 5.216 -11.130 4.393 1.00 0.00 H new ATOM 0 HA PHE A 40 7.394 -11.628 2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.367 -11.502 2.252 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.404 -11.488 0.840 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.342 -13.435 1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.470 -13.556 2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.442 -15.888 1.071 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.568 -16.009 2.848 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.558 -17.181 1.988 1.00 0.00 H new ATOM 574 N ILE A 41 5.712 -8.853 2.955 1.00 0.00 N ATOM 575 CA ILE A 41 5.705 -7.420 2.690 1.00 0.00 C ATOM 576 C ILE A 41 6.975 -6.758 3.216 1.00 0.00 C ATOM 577 O ILE A 41 7.511 -5.840 2.593 1.00 0.00 O ATOM 578 CB ILE A 41 4.481 -6.735 3.327 1.00 0.00 C ATOM 579 CG1 ILE A 41 4.124 -5.462 2.557 1.00 0.00 C ATOM 580 CG2 ILE A 41 4.753 -6.418 4.790 1.00 0.00 C ATOM 581 CD1 ILE A 41 2.704 -4.995 2.789 1.00 0.00 C ATOM 0 H ILE A 41 5.039 -9.155 3.660 1.00 0.00 H new ATOM 0 HA ILE A 41 5.656 -7.299 1.608 1.00 0.00 H new ATOM 0 HB ILE A 41 3.633 -7.418 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.811 -4.667 2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.271 -5.638 1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.879 -5.934 5.226 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.964 -7.342 5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.612 -5.751 4.864 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.520 -4.088 2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.009 -5.773 2.473 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.558 -4.787 3.849 1.00 0.00 H new ATOM 593 N ILE A 42 7.451 -7.230 4.362 1.00 0.00 N ATOM 594 CA ILE A 42 8.659 -6.685 4.969 1.00 0.00 C ATOM 595 C ILE A 42 9.910 -7.226 4.285 1.00 0.00 C ATOM 596 O ILE A 42 10.809 -6.468 3.924 1.00 0.00 O ATOM 597 CB ILE A 42 8.729 -7.010 6.473 1.00 0.00 C ATOM 598 CG1 ILE A 42 7.508 -6.438 7.198 1.00 0.00 C ATOM 599 CG2 ILE A 42 10.014 -6.461 7.075 1.00 0.00 C ATOM 600 CD1 ILE A 42 7.353 -6.947 8.613 1.00 0.00 C ATOM 0 H ILE A 42 7.019 -7.989 4.889 1.00 0.00 H new ATOM 0 HA ILE A 42 8.616 -5.603 4.841 1.00 0.00 H new ATOM 0 HB ILE A 42 8.727 -8.093 6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.584 -5.351 7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.610 -6.685 6.631 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.048 -6.699 8.138 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.871 -6.911 6.575 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.044 -5.379 6.944 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.468 -6.500 9.066 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.246 -8.032 8.600 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.234 -6.677 9.195 1.00 0.00 H new ATOM 612 N GLY A 43 9.959 -8.543 4.108 1.00 0.00 N ATOM 613 CA GLY A 43 11.102 -9.163 3.465 1.00 0.00 C ATOM 614 C GLY A 43 11.907 -10.024 4.420 1.00 0.00 C ATOM 615 O GLY A 43 12.033 -9.703 5.602 1.00 0.00 O ATOM 0 H GLY A 43 9.227 -9.191 4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.758 -9.775 2.631 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.746 -8.388 3.048 1.00 0.00 H new ATOM 619 N LYS A 44 12.452 -11.121 3.907 1.00 0.00 N ATOM 620 CA LYS A 44 13.249 -12.032 4.721 1.00 0.00 C ATOM 621 C LYS A 44 14.272 -11.266 5.552 1.00 0.00 C ATOM 622 O LYS A 44 14.369 -11.454 6.766 1.00 0.00 O ATOM 623 CB LYS A 44 13.961 -13.054 3.831 1.00 0.00 C ATOM 624 CG LYS A 44 13.154 -14.316 3.587 1.00 0.00 C ATOM 625 CD LYS A 44 12.275 -14.186 2.354 1.00 0.00 C ATOM 626 CE LYS A 44 13.023 -14.583 1.092 1.00 0.00 C ATOM 627 NZ LYS A 44 12.965 -16.051 0.850 1.00 0.00 N ATOM 0 H LYS A 44 12.357 -11.402 2.931 1.00 0.00 H new ATOM 0 HA LYS A 44 12.576 -12.556 5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.192 -12.590 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.911 -13.324 4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.829 -15.163 3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.533 -14.526 4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.392 -14.815 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.925 -13.158 2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.597 -14.057 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.064 -14.269 1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.487 -16.280 -0.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.394 -16.553 1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.973 -16.347 0.747 1.00 0.00 H new ATOM 641 N LYS A 45 15.033 -10.398 4.893 1.00 0.00 N ATOM 642 CA LYS A 45 16.048 -9.600 5.571 1.00 0.00 C ATOM 643 C LYS A 45 15.797 -8.110 5.363 1.00 0.00 C ATOM 644 O LYS A 45 16.717 -7.352 5.059 1.00 0.00 O ATOM 645 CB LYS A 45 17.442 -9.969 5.061 1.00 0.00 C ATOM 646 CG LYS A 45 17.632 -9.719 3.575 1.00 0.00 C ATOM 647 CD LYS A 45 18.699 -10.627 2.987 1.00 0.00 C ATOM 648 CE LYS A 45 19.055 -10.222 1.565 1.00 0.00 C ATOM 649 NZ LYS A 45 20.139 -11.073 1.001 1.00 0.00 N ATOM 0 H LYS A 45 14.966 -10.229 3.889 1.00 0.00 H new ATOM 0 HA LYS A 45 15.990 -9.815 6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 45 18.186 -9.396 5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 45 17.629 -11.022 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 45 16.688 -9.881 3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.910 -8.678 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 45 19.592 -10.592 3.611 1.00 0.00 H new ATOM 0 HD3 LYS A 45 18.345 -11.658 2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 45 18.169 -10.296 0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 45 19.369 -9.178 1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 20.353 -10.765 0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 20.992 -10.983 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.830 -12.066 0.989 1.00 0.00 H new ATOM 663 N GLY A 46 14.543 -7.697 5.529 1.00 0.00 N ATOM 664 CA GLY A 46 14.195 -6.298 5.356 1.00 0.00 C ATOM 665 C GLY A 46 14.783 -5.706 4.092 1.00 0.00 C ATOM 666 O GLY A 46 15.825 -5.051 4.132 1.00 0.00 O ATOM 0 H GLY A 46 13.764 -8.305 5.780 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.110 -6.197 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.547 -5.730 6.217 1.00 0.00 H new ATOM 670 N GLN A 47 14.117 -5.937 2.965 1.00 0.00 N ATOM 671 CA GLN A 47 14.583 -5.424 1.682 1.00 0.00 C ATOM 672 C GLN A 47 13.530 -4.526 1.041 1.00 0.00 C ATOM 673 O GLN A 47 13.838 -3.434 0.565 1.00 0.00 O ATOM 674 CB GLN A 47 14.927 -6.579 0.741 1.00 0.00 C ATOM 675 CG GLN A 47 16.078 -7.442 1.232 1.00 0.00 C ATOM 676 CD GLN A 47 16.182 -8.756 0.484 1.00 0.00 C ATOM 677 OE1 GLN A 47 15.498 -9.727 0.811 1.00 0.00 O ATOM 678 NE2 GLN A 47 17.042 -8.795 -0.527 1.00 0.00 N ATOM 0 H GLN A 47 13.253 -6.476 2.914 1.00 0.00 H new ATOM 0 HA GLN A 47 15.480 -4.831 1.860 1.00 0.00 H new ATOM 0 HB2 GLN A 47 14.044 -7.205 0.610 1.00 0.00 H new ATOM 0 HB3 GLN A 47 15.179 -6.175 -0.239 1.00 0.00 H new ATOM 0 HG2 GLN A 47 17.012 -6.891 1.123 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.949 -7.643 2.295 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.589 -7.967 -0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.156 -9.653 -1.067 1.00 0.00 H new ATOM 687 N ASN A 48 12.286 -4.993 1.033 1.00 0.00 N ATOM 688 CA ASN A 48 11.187 -4.233 0.450 1.00 0.00 C ATOM 689 C ASN A 48 11.064 -2.862 1.108 1.00 0.00 C ATOM 690 O ASN A 48 11.009 -1.836 0.427 1.00 0.00 O ATOM 691 CB ASN A 48 9.873 -5.001 0.596 1.00 0.00 C ATOM 692 CG ASN A 48 9.703 -6.067 -0.470 1.00 0.00 C ATOM 693 OD1 ASN A 48 9.502 -5.758 -1.645 1.00 0.00 O ATOM 694 ND2 ASN A 48 9.783 -7.329 -0.063 1.00 0.00 N ATOM 0 H ASN A 48 12.014 -5.895 1.424 1.00 0.00 H new ATOM 0 HA ASN A 48 11.400 -4.090 -0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.835 -5.467 1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.039 -4.301 0.542 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.677 -8.089 -0.735 1.00 0.00 H new ATOM 0 HD22 ASN A 48 9.951 -7.538 0.921 1.00 0.00 H new ATOM 701 N LEU A 49 11.021 -2.852 2.435 1.00 0.00 N ATOM 702 CA LEU A 49 10.906 -1.607 3.188 1.00 0.00 C ATOM 703 C LEU A 49 12.154 -0.748 3.014 1.00 0.00 C ATOM 704 O LEU A 49 12.072 0.406 2.593 1.00 0.00 O ATOM 705 CB LEU A 49 10.679 -1.903 4.671 1.00 0.00 C ATOM 706 CG LEU A 49 9.247 -2.256 5.074 1.00 0.00 C ATOM 707 CD1 LEU A 49 9.232 -2.997 6.402 1.00 0.00 C ATOM 708 CD2 LEU A 49 8.390 -1.001 5.152 1.00 0.00 C ATOM 0 H LEU A 49 11.064 -3.692 3.013 1.00 0.00 H new ATOM 0 HA LEU A 49 10.050 -1.055 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.330 -2.728 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.993 -1.032 5.247 1.00 0.00 H new ATOM 0 HG LEU A 49 8.827 -2.912 4.311 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.204 -3.239 6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.810 -3.917 6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.671 -2.367 7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.374 -1.271 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.808 -0.320 5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.373 -0.511 4.178 1.00 0.00 H new ATOM 720 N ALA A 50 13.309 -1.320 3.340 1.00 0.00 N ATOM 721 CA ALA A 50 14.576 -0.608 3.216 1.00 0.00 C ATOM 722 C ALA A 50 14.667 0.121 1.879 1.00 0.00 C ATOM 723 O ALA A 50 14.981 1.311 1.830 1.00 0.00 O ATOM 724 CB ALA A 50 15.741 -1.572 3.374 1.00 0.00 C ATOM 0 H ALA A 50 13.394 -2.274 3.692 1.00 0.00 H new ATOM 0 HA ALA A 50 14.625 0.137 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.680 -1.027 3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 50 15.693 -2.043 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.687 -2.338 2.601 1.00 0.00 H new ATOM 730 N LYS A 51 14.392 -0.600 0.799 1.00 0.00 N ATOM 731 CA LYS A 51 14.444 -0.023 -0.540 1.00 0.00 C ATOM 732 C LYS A 51 13.518 1.185 -0.647 1.00 0.00 C ATOM 733 O LYS A 51 13.964 2.297 -0.934 1.00 0.00 O ATOM 734 CB LYS A 51 14.054 -1.071 -1.585 1.00 0.00 C ATOM 735 CG LYS A 51 15.215 -1.940 -2.036 1.00 0.00 C ATOM 736 CD LYS A 51 14.972 -2.521 -3.419 1.00 0.00 C ATOM 737 CE LYS A 51 15.316 -1.522 -4.512 1.00 0.00 C ATOM 738 NZ LYS A 51 16.784 -1.298 -4.617 1.00 0.00 N ATOM 0 H LYS A 51 14.131 -1.586 0.823 1.00 0.00 H new ATOM 0 HA LYS A 51 15.466 0.306 -0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.272 -1.709 -1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.630 -0.566 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 51 16.131 -1.349 -2.044 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.364 -2.749 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.572 -3.422 -3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.927 -2.818 -3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.935 -1.883 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.818 -0.574 -4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.006 -0.884 -5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 17.091 -0.648 -3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.282 -2.205 -4.515 1.00 0.00 H new ATOM 752 N ILE A 52 12.229 0.960 -0.412 1.00 0.00 N ATOM 753 CA ILE A 52 11.243 2.031 -0.480 1.00 0.00 C ATOM 754 C ILE A 52 11.658 3.217 0.385 1.00 0.00 C ATOM 755 O ILE A 52 11.834 4.331 -0.110 1.00 0.00 O ATOM 756 CB ILE A 52 9.853 1.544 -0.031 1.00 0.00 C ATOM 757 CG1 ILE A 52 9.398 0.366 -0.894 1.00 0.00 C ATOM 758 CG2 ILE A 52 8.844 2.682 -0.105 1.00 0.00 C ATOM 759 CD1 ILE A 52 8.296 -0.455 -0.263 1.00 0.00 C ATOM 0 H ILE A 52 11.844 0.046 -0.173 1.00 0.00 H new ATOM 0 HA ILE A 52 11.190 2.346 -1.522 1.00 0.00 H new ATOM 0 HB ILE A 52 9.919 1.208 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.053 0.743 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.253 -0.280 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.866 2.323 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.164 3.495 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.779 3.045 -1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.024 -1.273 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.644 -0.862 0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.425 0.177 -0.090 1.00 0.00 H new ATOM 771 N THR A 53 11.816 2.969 1.681 1.00 0.00 N ATOM 772 CA THR A 53 12.211 4.015 2.617 1.00 0.00 C ATOM 773 C THR A 53 13.479 4.721 2.148 1.00 0.00 C ATOM 774 O THR A 53 13.596 5.941 2.256 1.00 0.00 O ATOM 775 CB THR A 53 12.445 3.447 4.029 1.00 0.00 C ATOM 776 OG1 THR A 53 13.353 2.342 3.969 1.00 0.00 O ATOM 777 CG2 THR A 53 11.134 2.999 4.656 1.00 0.00 C ATOM 0 H THR A 53 11.677 2.053 2.107 1.00 0.00 H new ATOM 0 HA THR A 53 11.391 4.732 2.654 1.00 0.00 H new ATOM 0 HB THR A 53 12.874 4.236 4.647 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.925 1.592 3.505 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.325 2.601 5.653 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.456 3.849 4.728 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.681 2.225 4.037 1.00 0.00 H new ATOM 785 N GLN A 54 14.424 3.944 1.629 1.00 0.00 N ATOM 786 CA GLN A 54 15.684 4.497 1.144 1.00 0.00 C ATOM 787 C GLN A 54 15.437 5.600 0.121 1.00 0.00 C ATOM 788 O GLN A 54 16.024 6.679 0.204 1.00 0.00 O ATOM 789 CB GLN A 54 16.544 3.395 0.525 1.00 0.00 C ATOM 790 CG GLN A 54 17.877 3.891 -0.013 1.00 0.00 C ATOM 791 CD GLN A 54 18.766 2.765 -0.500 1.00 0.00 C ATOM 792 OE1 GLN A 54 18.283 1.742 -0.988 1.00 0.00 O ATOM 793 NE2 GLN A 54 20.076 2.945 -0.369 1.00 0.00 N ATOM 0 H GLN A 54 14.342 2.932 1.533 1.00 0.00 H new ATOM 0 HA GLN A 54 16.213 4.927 1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.728 2.626 1.275 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.988 2.924 -0.285 1.00 0.00 H new ATOM 0 HG2 GLN A 54 17.697 4.587 -0.832 1.00 0.00 H new ATOM 0 HG3 GLN A 54 18.396 4.446 0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 54 20.434 3.808 0.041 1.00 0.00 H new ATOM 0 HE22 GLN A 54 20.724 2.220 -0.678 1.00 0.00 H new ATOM 802 N GLN A 55 14.565 5.323 -0.842 1.00 0.00 N ATOM 803 CA GLN A 55 14.242 6.291 -1.883 1.00 0.00 C ATOM 804 C GLN A 55 13.317 7.379 -1.345 1.00 0.00 C ATOM 805 O GLN A 55 13.367 8.525 -1.790 1.00 0.00 O ATOM 806 CB GLN A 55 13.586 5.593 -3.076 1.00 0.00 C ATOM 807 CG GLN A 55 13.032 6.553 -4.114 1.00 0.00 C ATOM 808 CD GLN A 55 14.060 6.944 -5.157 1.00 0.00 C ATOM 809 OE1 GLN A 55 14.953 7.749 -4.894 1.00 0.00 O ATOM 810 NE2 GLN A 55 13.941 6.371 -6.349 1.00 0.00 N ATOM 0 H GLN A 55 14.069 4.435 -0.923 1.00 0.00 H new ATOM 0 HA GLN A 55 15.171 6.756 -2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.318 4.940 -3.551 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.778 4.957 -2.715 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.176 6.093 -4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.667 7.451 -3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.185 5.709 -6.523 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.606 6.593 -7.090 1.00 0.00 H new ATOM 819 N MET A 56 12.474 7.011 -0.387 1.00 0.00 N ATOM 820 CA MET A 56 11.538 7.956 0.213 1.00 0.00 C ATOM 821 C MET A 56 11.644 7.936 1.734 1.00 0.00 C ATOM 822 O MET A 56 10.837 7.317 2.429 1.00 0.00 O ATOM 823 CB MET A 56 10.106 7.630 -0.216 1.00 0.00 C ATOM 824 CG MET A 56 9.812 7.976 -1.666 1.00 0.00 C ATOM 825 SD MET A 56 8.343 7.140 -2.295 1.00 0.00 S ATOM 826 CE MET A 56 8.927 5.449 -2.383 1.00 0.00 C ATOM 0 H MET A 56 12.419 6.065 -0.009 1.00 0.00 H new ATOM 0 HA MET A 56 11.795 8.956 -0.137 1.00 0.00 H new ATOM 0 HB2 MET A 56 9.922 6.567 -0.060 1.00 0.00 H new ATOM 0 HB3 MET A 56 9.411 8.171 0.426 1.00 0.00 H new ATOM 0 HG2 MET A 56 9.680 9.054 -1.759 1.00 0.00 H new ATOM 0 HG3 MET A 56 10.670 7.706 -2.281 1.00 0.00 H new ATOM 0 HE1 MET A 56 8.113 4.799 -2.705 1.00 0.00 H new ATOM 0 HE2 MET A 56 9.748 5.384 -3.097 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.276 5.133 -1.400 1.00 0.00 H new ATOM 836 N PRO A 57 12.662 8.627 2.267 1.00 0.00 N ATOM 837 CA PRO A 57 12.897 8.703 3.712 1.00 0.00 C ATOM 838 C PRO A 57 11.834 9.528 4.430 1.00 0.00 C ATOM 839 O PRO A 57 11.459 9.226 5.562 1.00 0.00 O ATOM 840 CB PRO A 57 14.262 9.387 3.814 1.00 0.00 C ATOM 841 CG PRO A 57 14.386 10.178 2.556 1.00 0.00 C ATOM 842 CD PRO A 57 13.663 9.388 1.500 1.00 0.00 C ATOM 0 HA PRO A 57 12.861 7.720 4.183 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.318 10.030 4.693 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.065 8.656 3.902 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.946 11.169 2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.432 10.323 2.287 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.194 10.039 0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.340 8.728 0.958 1.00 0.00 H new ATOM 850 N LYS A 58 11.350 10.571 3.762 1.00 0.00 N ATOM 851 CA LYS A 58 10.327 11.438 4.335 1.00 0.00 C ATOM 852 C LYS A 58 9.103 10.632 4.757 1.00 0.00 C ATOM 853 O LYS A 58 8.491 10.907 5.788 1.00 0.00 O ATOM 854 CB LYS A 58 9.920 12.514 3.325 1.00 0.00 C ATOM 855 CG LYS A 58 10.976 13.586 3.120 1.00 0.00 C ATOM 856 CD LYS A 58 10.493 14.669 2.169 1.00 0.00 C ATOM 857 CE LYS A 58 10.772 14.302 0.719 1.00 0.00 C ATOM 858 NZ LYS A 58 12.098 14.804 0.265 1.00 0.00 N ATOM 0 H LYS A 58 11.650 10.836 2.824 1.00 0.00 H new ATOM 0 HA LYS A 58 10.745 11.917 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.706 12.039 2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.996 12.985 3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 58 11.234 14.032 4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.885 13.132 2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.423 14.825 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.986 15.611 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.736 13.219 0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.990 14.716 0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.250 14.534 -0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.124 15.840 0.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.847 14.389 0.856 1.00 0.00 H new ATOM 872 N VAL A 59 8.752 9.633 3.952 1.00 0.00 N ATOM 873 CA VAL A 59 7.602 8.785 4.244 1.00 0.00 C ATOM 874 C VAL A 59 7.931 7.770 5.333 1.00 0.00 C ATOM 875 O VAL A 59 8.927 7.053 5.249 1.00 0.00 O ATOM 876 CB VAL A 59 7.125 8.036 2.986 1.00 0.00 C ATOM 877 CG1 VAL A 59 5.909 7.178 3.305 1.00 0.00 C ATOM 878 CG2 VAL A 59 6.815 9.018 1.866 1.00 0.00 C ATOM 0 H VAL A 59 9.247 9.392 3.094 1.00 0.00 H new ATOM 0 HA VAL A 59 6.804 9.441 4.592 1.00 0.00 H new ATOM 0 HB VAL A 59 7.927 7.379 2.650 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.586 6.656 2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.169 6.450 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.100 7.813 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.479 8.471 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.030 9.702 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.713 9.585 1.621 1.00 0.00 H new ATOM 888 N HIS A 60 7.084 7.714 6.356 1.00 0.00 N ATOM 889 CA HIS A 60 7.283 6.785 7.463 1.00 0.00 C ATOM 890 C HIS A 60 6.276 5.640 7.399 1.00 0.00 C ATOM 891 O HIS A 60 5.082 5.839 7.618 1.00 0.00 O ATOM 892 CB HIS A 60 7.156 7.517 8.800 1.00 0.00 C ATOM 893 CG HIS A 60 7.890 6.848 9.921 1.00 0.00 C ATOM 894 ND1 HIS A 60 9.103 6.213 9.754 1.00 0.00 N ATOM 895 CD2 HIS A 60 7.576 6.717 11.231 1.00 0.00 C ATOM 896 CE1 HIS A 60 9.503 5.721 10.912 1.00 0.00 C ATOM 897 NE2 HIS A 60 8.594 6.013 11.825 1.00 0.00 N ATOM 0 H HIS A 60 6.254 8.300 6.441 1.00 0.00 H new ATOM 0 HA HIS A 60 8.287 6.368 7.379 1.00 0.00 H new ATOM 0 HB2 HIS A 60 7.533 8.533 8.686 1.00 0.00 H new ATOM 0 HB3 HIS A 60 6.101 7.596 9.063 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.690 7.096 11.718 1.00 0.00 H new ATOM 0 HE1 HIS A 60 10.418 5.173 11.084 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.641 5.757 12.811 1.00 0.00 H new ATOM 905 N ILE A 61 6.768 4.444 7.098 1.00 0.00 N ATOM 906 CA ILE A 61 5.912 3.268 7.006 1.00 0.00 C ATOM 907 C ILE A 61 5.798 2.563 8.354 1.00 0.00 C ATOM 908 O ILE A 61 6.801 2.305 9.017 1.00 0.00 O ATOM 909 CB ILE A 61 6.439 2.268 5.960 1.00 0.00 C ATOM 910 CG1 ILE A 61 6.600 2.953 4.602 1.00 0.00 C ATOM 911 CG2 ILE A 61 5.502 1.074 5.850 1.00 0.00 C ATOM 912 CD1 ILE A 61 7.393 2.138 3.604 1.00 0.00 C ATOM 0 H ILE A 61 7.755 4.263 6.914 1.00 0.00 H new ATOM 0 HA ILE A 61 4.927 3.619 6.698 1.00 0.00 H new ATOM 0 HB ILE A 61 7.417 1.910 6.282 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.613 3.158 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.092 3.915 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.888 0.376 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.434 0.574 6.816 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.512 1.415 5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.467 2.685 2.664 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.393 1.955 3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.891 1.186 3.431 1.00 0.00 H new ATOM 924 N GLU A 62 4.567 2.254 8.751 1.00 0.00 N ATOM 925 CA GLU A 62 4.322 1.579 10.020 1.00 0.00 C ATOM 926 C GLU A 62 3.496 0.313 9.812 1.00 0.00 C ATOM 927 O GLU A 62 2.658 0.246 8.913 1.00 0.00 O ATOM 928 CB GLU A 62 3.603 2.517 10.992 1.00 0.00 C ATOM 929 CG GLU A 62 3.190 1.847 12.292 1.00 0.00 C ATOM 930 CD GLU A 62 2.522 2.807 13.257 1.00 0.00 C ATOM 931 OE1 GLU A 62 3.112 3.871 13.538 1.00 0.00 O ATOM 932 OE2 GLU A 62 1.410 2.494 13.730 1.00 0.00 O ATOM 0 H GLU A 62 3.725 2.460 8.213 1.00 0.00 H new ATOM 0 HA GLU A 62 5.286 1.298 10.445 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.255 3.360 11.219 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.716 2.922 10.504 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.508 1.026 12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.069 1.413 12.768 1.00 0.00 H new ATOM 939 N PHE A 63 3.740 -0.690 10.650 1.00 0.00 N ATOM 940 CA PHE A 63 3.021 -1.955 10.558 1.00 0.00 C ATOM 941 C PHE A 63 2.335 -2.288 11.880 1.00 0.00 C ATOM 942 O PHE A 63 2.981 -2.366 12.926 1.00 0.00 O ATOM 943 CB PHE A 63 3.977 -3.083 10.168 1.00 0.00 C ATOM 944 CG PHE A 63 4.127 -3.254 8.683 1.00 0.00 C ATOM 945 CD1 PHE A 63 3.036 -3.588 7.898 1.00 0.00 C ATOM 946 CD2 PHE A 63 5.359 -3.082 8.073 1.00 0.00 C ATOM 947 CE1 PHE A 63 3.171 -3.748 6.531 1.00 0.00 C ATOM 948 CE2 PHE A 63 5.501 -3.240 6.707 1.00 0.00 C ATOM 949 CZ PHE A 63 4.405 -3.572 5.935 1.00 0.00 C ATOM 0 H PHE A 63 4.430 -0.651 11.400 1.00 0.00 H new ATOM 0 HA PHE A 63 2.257 -1.854 9.787 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.956 -2.886 10.604 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.619 -4.018 10.599 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.069 -3.725 8.359 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.219 -2.821 8.672 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.313 -4.010 5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.467 -3.104 6.244 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.512 -3.694 4.867 1.00 0.00 H new ATOM 959 N THR A 64 1.021 -2.485 11.826 1.00 0.00 N ATOM 960 CA THR A 64 0.248 -2.809 13.018 1.00 0.00 C ATOM 961 C THR A 64 0.065 -4.315 13.163 1.00 0.00 C ATOM 962 O THR A 64 -0.082 -5.029 12.172 1.00 0.00 O ATOM 963 CB THR A 64 -1.138 -2.135 12.988 1.00 0.00 C ATOM 964 OG1 THR A 64 -1.743 -2.317 11.703 1.00 0.00 O ATOM 965 CG2 THR A 64 -1.024 -0.650 13.296 1.00 0.00 C ATOM 0 H THR A 64 0.470 -2.426 10.969 1.00 0.00 H new ATOM 0 HA THR A 64 0.810 -2.431 13.872 1.00 0.00 H new ATOM 0 HB THR A 64 -1.761 -2.601 13.751 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.364 -1.673 11.069 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.014 -0.196 13.269 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.590 -0.516 14.287 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.385 -0.172 12.553 1.00 0.00 H new ATOM 973 N GLU A 65 0.076 -4.791 14.404 1.00 0.00 N ATOM 974 CA GLU A 65 -0.089 -6.213 14.677 1.00 0.00 C ATOM 975 C GLU A 65 -1.536 -6.535 15.037 1.00 0.00 C ATOM 976 O GLU A 65 -1.839 -7.621 15.530 1.00 0.00 O ATOM 977 CB GLU A 65 0.839 -6.649 15.813 1.00 0.00 C ATOM 978 CG GLU A 65 0.630 -5.870 17.102 1.00 0.00 C ATOM 979 CD GLU A 65 1.481 -4.618 17.171 1.00 0.00 C ATOM 980 OE1 GLU A 65 2.670 -4.688 16.794 1.00 0.00 O ATOM 981 OE2 GLU A 65 0.961 -3.569 17.604 1.00 0.00 O ATOM 0 H GLU A 65 0.197 -4.213 15.235 1.00 0.00 H new ATOM 0 HA GLU A 65 0.173 -6.762 13.772 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.685 -7.710 16.010 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.874 -6.532 15.491 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.421 -5.596 17.190 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.864 -6.511 17.952 1.00 0.00 H new ATOM 988 N GLY A 66 -2.428 -5.581 14.787 1.00 0.00 N ATOM 989 CA GLY A 66 -3.833 -5.780 15.091 1.00 0.00 C ATOM 990 C GLY A 66 -4.742 -4.966 14.192 1.00 0.00 C ATOM 991 O GLY A 66 -5.809 -5.431 13.794 1.00 0.00 O ATOM 0 H GLY A 66 -2.202 -4.674 14.379 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.078 -6.837 14.988 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.018 -5.510 16.131 1.00 0.00 H new ATOM 995 N GLU A 67 -4.320 -3.746 13.874 1.00 0.00 N ATOM 996 CA GLU A 67 -5.106 -2.865 13.019 1.00 0.00 C ATOM 997 C GLU A 67 -5.097 -3.359 11.575 1.00 0.00 C ATOM 998 O GLU A 67 -5.905 -2.924 10.753 1.00 0.00 O ATOM 999 CB GLU A 67 -4.562 -1.436 13.083 1.00 0.00 C ATOM 1000 CG GLU A 67 -4.581 -0.841 14.481 1.00 0.00 C ATOM 1001 CD GLU A 67 -5.987 -0.651 15.016 1.00 0.00 C ATOM 1002 OE1 GLU A 67 -6.909 -0.444 14.200 1.00 0.00 O ATOM 1003 OE2 GLU A 67 -6.164 -0.711 16.250 1.00 0.00 O ATOM 0 H GLU A 67 -3.439 -3.346 14.196 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.134 -2.872 13.382 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.539 -1.428 12.708 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.150 -0.802 12.419 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.024 -1.491 15.156 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.068 0.121 14.469 1.00 0.00 H new ATOM 1010 N ASP A 68 -4.178 -4.270 11.273 1.00 0.00 N ATOM 1011 CA ASP A 68 -4.062 -4.824 9.929 1.00 0.00 C ATOM 1012 C ASP A 68 -4.094 -3.716 8.880 1.00 0.00 C ATOM 1013 O ASP A 68 -4.882 -3.763 7.935 1.00 0.00 O ATOM 1014 CB ASP A 68 -5.191 -5.823 9.668 1.00 0.00 C ATOM 1015 CG ASP A 68 -6.539 -5.310 10.138 1.00 0.00 C ATOM 1016 OD1 ASP A 68 -6.799 -5.358 11.358 1.00 0.00 O ATOM 1017 OD2 ASP A 68 -7.333 -4.860 9.286 1.00 0.00 O ATOM 0 H ASP A 68 -3.502 -4.641 11.941 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.105 -5.341 9.856 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.240 -6.040 8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.966 -6.762 10.175 1.00 0.00 H new ATOM 1022 N LYS A 69 -3.232 -2.720 9.053 1.00 0.00 N ATOM 1023 CA LYS A 69 -3.160 -1.600 8.123 1.00 0.00 C ATOM 1024 C LYS A 69 -1.797 -0.919 8.195 1.00 0.00 C ATOM 1025 O LYS A 69 -1.066 -1.075 9.173 1.00 0.00 O ATOM 1026 CB LYS A 69 -4.265 -0.586 8.426 1.00 0.00 C ATOM 1027 CG LYS A 69 -4.215 -0.038 9.842 1.00 0.00 C ATOM 1028 CD LYS A 69 -4.755 1.380 9.911 1.00 0.00 C ATOM 1029 CE LYS A 69 -4.242 2.114 11.141 1.00 0.00 C ATOM 1030 NZ LYS A 69 -5.092 1.853 12.336 1.00 0.00 N ATOM 0 H LYS A 69 -2.573 -2.666 9.830 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.299 -1.989 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.190 0.242 7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.234 -1.057 8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.795 -0.682 10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.187 -0.055 10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.464 1.925 9.013 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.845 1.355 9.929 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.218 1.804 11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.216 3.185 10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.524 2.743 12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.840 1.174 12.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.506 1.459 13.100 1.00 0.00 H new ATOM 1044 N ILE A 70 -1.461 -0.166 7.153 1.00 0.00 N ATOM 1045 CA ILE A 70 -0.187 0.540 7.101 1.00 0.00 C ATOM 1046 C ILE A 70 -0.389 2.048 7.202 1.00 0.00 C ATOM 1047 O ILE A 70 -1.102 2.646 6.396 1.00 0.00 O ATOM 1048 CB ILE A 70 0.580 0.222 5.803 1.00 0.00 C ATOM 1049 CG1 ILE A 70 0.805 -1.285 5.675 1.00 0.00 C ATOM 1050 CG2 ILE A 70 1.906 0.966 5.776 1.00 0.00 C ATOM 1051 CD1 ILE A 70 1.192 -1.722 4.279 1.00 0.00 C ATOM 0 H ILE A 70 -2.053 -0.029 6.334 1.00 0.00 H new ATOM 0 HA ILE A 70 0.399 0.197 7.954 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.017 0.554 4.954 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.587 -1.588 6.372 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.105 -1.807 5.971 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.436 0.731 4.853 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.722 2.039 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.511 0.662 6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.335 -2.802 4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.401 -1.450 3.580 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.119 -1.228 3.987 1.00 0.00 H new ATOM 1063 N THR A 71 0.245 2.659 8.199 1.00 0.00 N ATOM 1064 CA THR A 71 0.137 4.098 8.405 1.00 0.00 C ATOM 1065 C THR A 71 1.348 4.828 7.836 1.00 0.00 C ATOM 1066 O THR A 71 2.486 4.555 8.217 1.00 0.00 O ATOM 1067 CB THR A 71 0.001 4.441 9.901 1.00 0.00 C ATOM 1068 OG1 THR A 71 -1.008 3.621 10.501 1.00 0.00 O ATOM 1069 CG2 THR A 71 -0.352 5.909 10.089 1.00 0.00 C ATOM 0 H THR A 71 0.838 2.179 8.876 1.00 0.00 H new ATOM 0 HA THR A 71 -0.760 4.426 7.880 1.00 0.00 H new ATOM 0 HB THR A 71 0.959 4.250 10.385 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.088 3.843 11.452 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.443 6.128 11.153 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.432 6.530 9.656 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.299 6.122 9.593 1.00 0.00 H new ATOM 1077 N LEU A 72 1.094 5.760 6.922 1.00 0.00 N ATOM 1078 CA LEU A 72 2.164 6.531 6.299 1.00 0.00 C ATOM 1079 C LEU A 72 2.187 7.960 6.832 1.00 0.00 C ATOM 1080 O LEU A 72 1.155 8.497 7.237 1.00 0.00 O ATOM 1081 CB LEU A 72 1.994 6.543 4.780 1.00 0.00 C ATOM 1082 CG LEU A 72 2.192 5.204 4.071 1.00 0.00 C ATOM 1083 CD1 LEU A 72 3.649 4.774 4.140 1.00 0.00 C ATOM 1084 CD2 LEU A 72 1.290 4.139 4.680 1.00 0.00 C ATOM 0 H LEU A 72 0.157 5.999 6.597 1.00 0.00 H new ATOM 0 HA LEU A 72 3.113 6.055 6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.993 6.909 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.700 7.261 4.361 1.00 0.00 H new ATOM 0 HG LEU A 72 1.920 5.326 3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.771 3.818 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.273 5.526 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.948 4.669 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.444 3.192 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.531 4.019 5.736 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.248 4.443 4.578 1.00 0.00 H new ATOM 1096 N GLU A 73 3.367 8.570 6.827 1.00 0.00 N ATOM 1097 CA GLU A 73 3.521 9.938 7.310 1.00 0.00 C ATOM 1098 C GLU A 73 4.453 10.734 6.399 1.00 0.00 C ATOM 1099 O GLU A 73 5.604 10.356 6.189 1.00 0.00 O ATOM 1100 CB GLU A 73 4.064 9.940 8.740 1.00 0.00 C ATOM 1101 CG GLU A 73 4.429 11.324 9.251 1.00 0.00 C ATOM 1102 CD GLU A 73 4.931 11.304 10.682 1.00 0.00 C ATOM 1103 OE1 GLU A 73 4.110 11.068 11.594 1.00 0.00 O ATOM 1104 OE2 GLU A 73 6.142 11.525 10.890 1.00 0.00 O ATOM 0 H GLU A 73 4.230 8.140 6.494 1.00 0.00 H new ATOM 0 HA GLU A 73 2.539 10.412 7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.318 9.502 9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.946 9.301 8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.196 11.754 8.607 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.556 11.973 9.185 1.00 0.00 H new ATOM 1111 N GLY A 74 3.945 11.838 5.862 1.00 0.00 N ATOM 1112 CA GLY A 74 4.743 12.670 4.980 1.00 0.00 C ATOM 1113 C GLY A 74 3.893 13.572 4.108 1.00 0.00 C ATOM 1114 O GLY A 74 2.677 13.664 4.272 1.00 0.00 O ATOM 0 H GLY A 74 2.995 12.172 6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.421 13.280 5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.361 12.034 4.346 1.00 0.00 H new ATOM 1118 N PRO A 75 4.539 14.260 3.155 1.00 0.00 N ATOM 1119 CA PRO A 75 3.855 15.173 2.235 1.00 0.00 C ATOM 1120 C PRO A 75 2.969 14.434 1.237 1.00 0.00 C ATOM 1121 O PRO A 75 3.375 13.426 0.657 1.00 0.00 O ATOM 1122 CB PRO A 75 5.006 15.875 1.510 1.00 0.00 C ATOM 1123 CG PRO A 75 6.145 14.918 1.590 1.00 0.00 C ATOM 1124 CD PRO A 75 5.989 14.199 2.902 1.00 0.00 C ATOM 0 HA PRO A 75 3.185 15.854 2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.746 16.095 0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.253 16.824 1.985 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.125 14.217 0.756 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.100 15.442 1.543 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.343 13.170 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.556 14.685 3.696 1.00 0.00 H new ATOM 1132 N THR A 76 1.756 14.941 1.042 1.00 0.00 N ATOM 1133 CA THR A 76 0.812 14.330 0.115 1.00 0.00 C ATOM 1134 C THR A 76 1.508 13.888 -1.167 1.00 0.00 C ATOM 1135 O THR A 76 1.147 12.873 -1.761 1.00 0.00 O ATOM 1136 CB THR A 76 -0.332 15.297 -0.242 1.00 0.00 C ATOM 1137 OG1 THR A 76 -1.028 14.826 -1.401 1.00 0.00 O ATOM 1138 CG2 THR A 76 0.204 16.697 -0.500 1.00 0.00 C ATOM 0 H THR A 76 1.404 15.774 1.514 1.00 0.00 H new ATOM 0 HA THR A 76 0.395 13.457 0.618 1.00 0.00 H new ATOM 0 HB THR A 76 -1.020 15.338 0.602 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.755 15.446 -1.620 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.622 17.363 -0.750 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.708 17.064 0.394 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.911 16.669 -1.329 1.00 0.00 H new ATOM 1146 N GLU A 77 2.507 14.657 -1.587 1.00 0.00 N ATOM 1147 CA GLU A 77 3.253 14.343 -2.801 1.00 0.00 C ATOM 1148 C GLU A 77 3.931 12.981 -2.685 1.00 0.00 C ATOM 1149 O GLU A 77 3.911 12.184 -3.624 1.00 0.00 O ATOM 1150 CB GLU A 77 4.301 15.424 -3.075 1.00 0.00 C ATOM 1151 CG GLU A 77 5.606 15.211 -2.329 1.00 0.00 C ATOM 1152 CD GLU A 77 6.622 16.302 -2.605 1.00 0.00 C ATOM 1153 OE1 GLU A 77 6.813 16.650 -3.790 1.00 0.00 O ATOM 1154 OE2 GLU A 77 7.226 16.809 -1.638 1.00 0.00 O ATOM 0 H GLU A 77 2.819 15.501 -1.106 1.00 0.00 H new ATOM 0 HA GLU A 77 2.549 14.310 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.505 15.457 -4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.889 16.395 -2.799 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.405 15.169 -1.258 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.028 14.247 -2.612 1.00 0.00 H new ATOM 1161 N ASP A 78 4.530 12.721 -1.528 1.00 0.00 N ATOM 1162 CA ASP A 78 5.215 11.455 -1.289 1.00 0.00 C ATOM 1163 C ASP A 78 4.228 10.380 -0.844 1.00 0.00 C ATOM 1164 O ASP A 78 4.240 9.261 -1.356 1.00 0.00 O ATOM 1165 CB ASP A 78 6.307 11.633 -0.233 1.00 0.00 C ATOM 1166 CG ASP A 78 7.529 12.343 -0.779 1.00 0.00 C ATOM 1167 OD1 ASP A 78 7.529 12.688 -1.979 1.00 0.00 O ATOM 1168 OD2 ASP A 78 8.488 12.555 -0.006 1.00 0.00 O ATOM 0 H ASP A 78 4.555 13.369 -0.741 1.00 0.00 H new ATOM 0 HA ASP A 78 5.675 11.136 -2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.907 12.199 0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.599 10.656 0.151 1.00 0.00 H new ATOM 1173 N VAL A 79 3.376 10.728 0.116 1.00 0.00 N ATOM 1174 CA VAL A 79 2.382 9.793 0.631 1.00 0.00 C ATOM 1175 C VAL A 79 1.670 9.066 -0.505 1.00 0.00 C ATOM 1176 O VAL A 79 1.272 7.911 -0.364 1.00 0.00 O ATOM 1177 CB VAL A 79 1.335 10.511 1.503 1.00 0.00 C ATOM 1178 CG1 VAL A 79 0.265 9.534 1.966 1.00 0.00 C ATOM 1179 CG2 VAL A 79 2.004 11.184 2.692 1.00 0.00 C ATOM 0 H VAL A 79 3.354 11.650 0.552 1.00 0.00 H new ATOM 0 HA VAL A 79 2.917 9.067 1.243 1.00 0.00 H new ATOM 0 HB VAL A 79 0.853 11.282 0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.466 10.059 2.581 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.234 9.103 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.727 8.739 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.250 11.687 3.297 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.513 10.433 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.729 11.915 2.335 1.00 0.00 H new ATOM 1189 N SER A 80 1.513 9.753 -1.633 1.00 0.00 N ATOM 1190 CA SER A 80 0.845 9.175 -2.792 1.00 0.00 C ATOM 1191 C SER A 80 1.742 8.153 -3.482 1.00 0.00 C ATOM 1192 O SER A 80 1.262 7.173 -4.054 1.00 0.00 O ATOM 1193 CB SER A 80 0.451 10.274 -3.782 1.00 0.00 C ATOM 1194 OG SER A 80 -0.783 10.869 -3.419 1.00 0.00 O ATOM 0 H SER A 80 1.839 10.710 -1.768 1.00 0.00 H new ATOM 0 HA SER A 80 -0.055 8.668 -2.445 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.230 11.036 -3.814 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.375 9.854 -4.785 1.00 0.00 H new ATOM 0 HG SER A 80 -1.012 11.569 -4.066 1.00 0.00 H new ATOM 1200 N VAL A 81 3.049 8.386 -3.424 1.00 0.00 N ATOM 1201 CA VAL A 81 4.016 7.486 -4.042 1.00 0.00 C ATOM 1202 C VAL A 81 4.294 6.282 -3.148 1.00 0.00 C ATOM 1203 O VAL A 81 4.284 5.140 -3.607 1.00 0.00 O ATOM 1204 CB VAL A 81 5.344 8.208 -4.339 1.00 0.00 C ATOM 1205 CG1 VAL A 81 6.255 7.324 -5.178 1.00 0.00 C ATOM 1206 CG2 VAL A 81 5.084 9.534 -5.038 1.00 0.00 C ATOM 0 H VAL A 81 3.463 9.191 -2.955 1.00 0.00 H new ATOM 0 HA VAL A 81 3.578 7.146 -4.980 1.00 0.00 H new ATOM 0 HB VAL A 81 5.846 8.414 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.188 7.850 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.467 6.402 -4.636 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.763 7.086 -6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.033 10.031 -5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.561 9.354 -5.977 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.471 10.169 -4.398 1.00 0.00 H new ATOM 1216 N ALA A 82 4.541 6.546 -1.869 1.00 0.00 N ATOM 1217 CA ALA A 82 4.820 5.484 -0.910 1.00 0.00 C ATOM 1218 C ALA A 82 3.617 4.562 -0.748 1.00 0.00 C ATOM 1219 O ALA A 82 3.762 3.341 -0.701 1.00 0.00 O ATOM 1220 CB ALA A 82 5.218 6.077 0.433 1.00 0.00 C ATOM 0 H ALA A 82 4.554 7.486 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 82 5.651 4.891 -1.293 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.423 5.273 1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.112 6.689 0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.405 6.695 0.813 1.00 0.00 H new ATOM 1226 N GLN A 83 2.430 5.155 -0.661 1.00 0.00 N ATOM 1227 CA GLN A 83 1.202 4.385 -0.502 1.00 0.00 C ATOM 1228 C GLN A 83 0.848 3.652 -1.791 1.00 0.00 C ATOM 1229 O GLN A 83 0.374 2.517 -1.760 1.00 0.00 O ATOM 1230 CB GLN A 83 0.049 5.303 -0.091 1.00 0.00 C ATOM 1231 CG GLN A 83 -0.661 5.953 -1.267 1.00 0.00 C ATOM 1232 CD GLN A 83 -1.920 6.690 -0.855 1.00 0.00 C ATOM 1233 OE1 GLN A 83 -1.861 7.827 -0.387 1.00 0.00 O ATOM 1234 NE2 GLN A 83 -3.068 6.046 -1.027 1.00 0.00 N ATOM 0 H GLN A 83 2.293 6.165 -0.698 1.00 0.00 H new ATOM 0 HA GLN A 83 1.366 3.645 0.282 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.675 4.727 0.486 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.433 6.083 0.567 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.019 6.650 -1.757 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.916 5.188 -2.000 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.071 5.104 -1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.947 6.493 -0.768 1.00 0.00 H new ATOM 1243 N GLU A 84 1.082 4.308 -2.923 1.00 0.00 N ATOM 1244 CA GLU A 84 0.786 3.718 -4.224 1.00 0.00 C ATOM 1245 C GLU A 84 1.717 2.543 -4.512 1.00 0.00 C ATOM 1246 O GLU A 84 1.320 1.566 -5.146 1.00 0.00 O ATOM 1247 CB GLU A 84 0.917 4.770 -5.328 1.00 0.00 C ATOM 1248 CG GLU A 84 0.897 4.185 -6.730 1.00 0.00 C ATOM 1249 CD GLU A 84 1.438 5.146 -7.771 1.00 0.00 C ATOM 1250 OE1 GLU A 84 2.566 5.648 -7.584 1.00 0.00 O ATOM 1251 OE2 GLU A 84 0.733 5.395 -8.771 1.00 0.00 O ATOM 0 H GLU A 84 1.476 5.248 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.240 3.350 -4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.104 5.489 -5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.847 5.320 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.487 3.269 -6.746 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.125 3.911 -6.991 1.00 0.00 H new ATOM 1258 N GLN A 85 2.956 2.648 -4.042 1.00 0.00 N ATOM 1259 CA GLN A 85 3.943 1.596 -4.251 1.00 0.00 C ATOM 1260 C GLN A 85 3.564 0.334 -3.483 1.00 0.00 C ATOM 1261 O GLN A 85 3.593 -0.768 -4.031 1.00 0.00 O ATOM 1262 CB GLN A 85 5.329 2.074 -3.815 1.00 0.00 C ATOM 1263 CG GLN A 85 6.110 2.767 -4.921 1.00 0.00 C ATOM 1264 CD GLN A 85 7.610 2.654 -4.736 1.00 0.00 C ATOM 1265 OE1 GLN A 85 8.102 1.706 -4.122 1.00 0.00 O ATOM 1266 NE2 GLN A 85 8.347 3.623 -5.266 1.00 0.00 N ATOM 0 H GLN A 85 3.300 3.450 -3.514 1.00 0.00 H new ATOM 0 HA GLN A 85 3.965 1.360 -5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.220 2.759 -2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.903 1.219 -3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.833 2.334 -5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.830 3.820 -4.953 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.898 4.390 -5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.362 3.601 -5.173 1.00 0.00 H new ATOM 1275 N ILE A 86 3.209 0.504 -2.214 1.00 0.00 N ATOM 1276 CA ILE A 86 2.823 -0.622 -1.373 1.00 0.00 C ATOM 1277 C ILE A 86 1.514 -1.242 -1.849 1.00 0.00 C ATOM 1278 O ILE A 86 1.304 -2.448 -1.725 1.00 0.00 O ATOM 1279 CB ILE A 86 2.672 -0.199 0.100 1.00 0.00 C ATOM 1280 CG1 ILE A 86 3.958 0.464 0.597 1.00 0.00 C ATOM 1281 CG2 ILE A 86 2.320 -1.401 0.964 1.00 0.00 C ATOM 1282 CD1 ILE A 86 3.808 1.142 1.941 1.00 0.00 C ATOM 0 H ILE A 86 3.181 1.410 -1.746 1.00 0.00 H new ATOM 0 HA ILE A 86 3.621 -1.361 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 86 1.861 0.525 0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.743 -0.289 0.665 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.285 1.200 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.217 -1.085 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.380 -1.833 0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.111 -2.147 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.759 1.590 2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.046 1.919 1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.511 0.406 2.688 1.00 0.00 H new ATOM 1294 N GLU A 87 0.635 -0.407 -2.395 1.00 0.00 N ATOM 1295 CA GLU A 87 -0.655 -0.873 -2.892 1.00 0.00 C ATOM 1296 C GLU A 87 -0.470 -1.903 -4.002 1.00 0.00 C ATOM 1297 O GLU A 87 -1.221 -2.874 -4.094 1.00 0.00 O ATOM 1298 CB GLU A 87 -1.485 0.305 -3.406 1.00 0.00 C ATOM 1299 CG GLU A 87 -2.100 1.146 -2.300 1.00 0.00 C ATOM 1300 CD GLU A 87 -3.472 0.652 -1.887 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -3.555 -0.437 -1.282 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -4.466 1.356 -2.169 1.00 0.00 O ATOM 0 H GLU A 87 0.792 0.595 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.184 -1.347 -2.065 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.853 0.941 -4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.281 -0.075 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.439 1.139 -1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.176 2.181 -2.635 1.00 0.00 H new ATOM 1309 N GLY A 88 0.535 -1.684 -4.845 1.00 0.00 N ATOM 1310 CA GLY A 88 0.800 -2.600 -5.938 1.00 0.00 C ATOM 1311 C GLY A 88 1.212 -3.976 -5.454 1.00 0.00 C ATOM 1312 O GLY A 88 0.622 -4.981 -5.849 1.00 0.00 O ATOM 0 H GLY A 88 1.170 -0.888 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.092 -2.688 -6.558 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.588 -2.189 -6.569 1.00 0.00 H new ATOM 1316 N MET A 89 2.227 -4.022 -4.598 1.00 0.00 N ATOM 1317 CA MET A 89 2.717 -5.286 -4.061 1.00 0.00 C ATOM 1318 C MET A 89 1.643 -5.972 -3.222 1.00 0.00 C ATOM 1319 O MET A 89 1.486 -7.192 -3.275 1.00 0.00 O ATOM 1320 CB MET A 89 3.970 -5.054 -3.215 1.00 0.00 C ATOM 1321 CG MET A 89 3.735 -4.151 -2.015 1.00 0.00 C ATOM 1322 SD MET A 89 5.189 -4.007 -0.958 1.00 0.00 S ATOM 1323 CE MET A 89 6.077 -2.689 -1.782 1.00 0.00 C ATOM 0 H MET A 89 2.726 -3.199 -4.261 1.00 0.00 H new ATOM 0 HA MET A 89 2.969 -5.935 -4.899 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.347 -6.016 -2.867 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.746 -4.616 -3.843 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.444 -3.160 -2.363 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.902 -4.541 -1.430 1.00 0.00 H new ATOM 0 HE1 MET A 89 7.137 -2.939 -1.830 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.688 -2.564 -2.792 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.948 -1.760 -1.226 1.00 0.00 H new ATOM 1333 N VAL A 90 0.907 -5.181 -2.448 1.00 0.00 N ATOM 1334 CA VAL A 90 -0.152 -5.713 -1.599 1.00 0.00 C ATOM 1335 C VAL A 90 -1.193 -6.463 -2.424 1.00 0.00 C ATOM 1336 O VAL A 90 -1.535 -7.607 -2.122 1.00 0.00 O ATOM 1337 CB VAL A 90 -0.851 -4.592 -0.806 1.00 0.00 C ATOM 1338 CG1 VAL A 90 -2.031 -5.148 -0.024 1.00 0.00 C ATOM 1339 CG2 VAL A 90 0.137 -3.902 0.122 1.00 0.00 C ATOM 0 H VAL A 90 1.025 -4.169 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 90 0.319 -6.404 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.230 -3.852 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.513 -4.342 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.748 -5.593 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.679 -5.908 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.373 -3.113 0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.547 -4.629 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.946 -3.469 -0.466 1.00 0.00 H new ATOM 1349 N LYS A 91 -1.695 -5.811 -3.467 1.00 0.00 N ATOM 1350 CA LYS A 91 -2.697 -6.414 -4.338 1.00 0.00 C ATOM 1351 C LYS A 91 -2.128 -7.635 -5.055 1.00 0.00 C ATOM 1352 O LYS A 91 -2.652 -8.741 -4.928 1.00 0.00 O ATOM 1353 CB LYS A 91 -3.194 -5.392 -5.363 1.00 0.00 C ATOM 1354 CG LYS A 91 -4.396 -4.592 -4.888 1.00 0.00 C ATOM 1355 CD LYS A 91 -4.894 -3.645 -5.967 1.00 0.00 C ATOM 1356 CE LYS A 91 -5.953 -2.695 -5.427 1.00 0.00 C ATOM 1357 NZ LYS A 91 -7.216 -3.408 -5.086 1.00 0.00 N ATOM 0 H LYS A 91 -1.424 -4.864 -3.730 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.535 -6.735 -3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.382 -4.705 -5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.455 -5.911 -6.285 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.198 -5.273 -4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.127 -4.023 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -4.057 -3.071 -6.364 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.308 -4.220 -6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.570 -2.190 -4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.160 -1.923 -6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.912 -2.726 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.595 -3.869 -5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.023 -4.127 -4.360 1.00 0.00 H new ATOM 1371 N ASP A 92 -1.055 -7.424 -5.809 1.00 0.00 N ATOM 1372 CA ASP A 92 -0.414 -8.508 -6.545 1.00 0.00 C ATOM 1373 C ASP A 92 -0.162 -9.708 -5.637 1.00 0.00 C ATOM 1374 O ASP A 92 -0.252 -10.858 -6.069 1.00 0.00 O ATOM 1375 CB ASP A 92 0.904 -8.029 -7.157 1.00 0.00 C ATOM 1376 CG ASP A 92 1.554 -9.083 -8.031 1.00 0.00 C ATOM 1377 OD1 ASP A 92 1.211 -9.155 -9.228 1.00 0.00 O ATOM 1378 OD2 ASP A 92 2.405 -9.838 -7.515 1.00 0.00 O ATOM 0 H ASP A 92 -0.611 -6.513 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.086 -8.817 -7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.721 -7.132 -7.749 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.591 -7.749 -6.359 1.00 0.00 H new ATOM 1383 N LEU A 93 0.157 -9.432 -4.377 1.00 0.00 N ATOM 1384 CA LEU A 93 0.424 -10.489 -3.407 1.00 0.00 C ATOM 1385 C LEU A 93 -0.776 -11.421 -3.273 1.00 0.00 C ATOM 1386 O LEU A 93 -0.620 -12.635 -3.148 1.00 0.00 O ATOM 1387 CB LEU A 93 0.768 -9.882 -2.046 1.00 0.00 C ATOM 1388 CG LEU A 93 2.247 -9.581 -1.799 1.00 0.00 C ATOM 1389 CD1 LEU A 93 2.425 -8.802 -0.505 1.00 0.00 C ATOM 1390 CD2 LEU A 93 3.055 -10.870 -1.763 1.00 0.00 C ATOM 0 H LEU A 93 0.237 -8.486 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 93 1.274 -11.071 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.205 -8.956 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.422 -10.563 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 93 2.615 -8.968 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.484 -8.597 -0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.879 -7.861 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.040 -9.389 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.105 -10.636 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.685 -11.509 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.954 -11.389 -2.716 1.00 0.00 H new ATOM 1402 N ILE A 94 -1.972 -10.844 -3.300 1.00 0.00 N ATOM 1403 CA ILE A 94 -3.199 -11.624 -3.185 1.00 0.00 C ATOM 1404 C ILE A 94 -3.623 -12.184 -4.539 1.00 0.00 C ATOM 1405 O ILE A 94 -4.019 -13.345 -4.644 1.00 0.00 O ATOM 1406 CB ILE A 94 -4.351 -10.780 -2.608 1.00 0.00 C ATOM 1407 CG1 ILE A 94 -3.989 -10.272 -1.211 1.00 0.00 C ATOM 1408 CG2 ILE A 94 -5.635 -11.595 -2.564 1.00 0.00 C ATOM 1409 CD1 ILE A 94 -4.934 -9.212 -0.689 1.00 0.00 C ATOM 0 H ILE A 94 -2.118 -9.840 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.986 -12.448 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.512 -9.920 -3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.981 -11.113 -0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.977 -9.867 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.440 -10.985 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.899 -11.913 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.488 -12.472 -1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.616 -8.899 0.305 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.924 -8.353 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.944 -9.619 -0.636 1.00 0.00 H new ATOM 1421 N ASN A 95 -3.536 -11.352 -5.571 1.00 0.00 N ATOM 1422 CA ASN A 95 -3.911 -11.765 -6.919 1.00 0.00 C ATOM 1423 C ASN A 95 -3.101 -12.981 -7.359 1.00 0.00 C ATOM 1424 O ASN A 95 -3.618 -13.871 -8.034 1.00 0.00 O ATOM 1425 CB ASN A 95 -3.699 -10.613 -7.904 1.00 0.00 C ATOM 1426 CG ASN A 95 -4.143 -9.279 -7.337 1.00 0.00 C ATOM 1427 OD1 ASN A 95 -4.731 -9.214 -6.258 1.00 0.00 O ATOM 1428 ND2 ASN A 95 -3.864 -8.204 -8.067 1.00 0.00 N ATOM 0 H ASN A 95 -3.209 -10.388 -5.500 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.966 -12.037 -6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -2.644 -10.558 -8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -4.251 -10.817 -8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.139 -7.279 -7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.374 -8.304 -8.956 1.00 0.00 H new ATOM 1435 N ARG A 96 -1.830 -13.011 -6.972 1.00 0.00 N ATOM 1436 CA ARG A 96 -0.950 -14.118 -7.327 1.00 0.00 C ATOM 1437 C ARG A 96 -1.423 -15.417 -6.684 1.00 0.00 C ATOM 1438 O ARG A 96 -0.935 -16.498 -7.013 1.00 0.00 O ATOM 1439 CB ARG A 96 0.486 -13.813 -6.893 1.00 0.00 C ATOM 1440 CG ARG A 96 0.662 -13.729 -5.386 1.00 0.00 C ATOM 1441 CD ARG A 96 2.058 -14.155 -4.963 1.00 0.00 C ATOM 1442 NE ARG A 96 2.361 -15.523 -5.377 1.00 0.00 N ATOM 1443 CZ ARG A 96 3.437 -16.191 -4.975 1.00 0.00 C ATOM 1444 NH1 ARG A 96 4.308 -15.620 -4.153 1.00 0.00 N ATOM 1445 NH2 ARG A 96 3.645 -17.432 -5.396 1.00 0.00 N ATOM 0 H ARG A 96 -1.387 -12.282 -6.413 1.00 0.00 H new ATOM 0 HA ARG A 96 -0.978 -14.240 -8.410 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.147 -14.586 -7.285 1.00 0.00 H new ATOM 0 HB3 ARG A 96 0.799 -12.869 -7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.476 -12.708 -5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -0.077 -14.363 -4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.791 -13.474 -5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.149 -14.075 -3.880 1.00 0.00 H new ATOM 0 HE ARG A 96 1.711 -15.991 -6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.153 -14.666 -3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.133 -16.135 -3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 96 2.979 -17.874 -6.029 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.471 -17.944 -5.087 1.00 0.00 H new ATOM 1459 N SER A 97 -2.376 -15.304 -5.765 1.00 0.00 N ATOM 1460 CA SER A 97 -2.912 -16.470 -5.072 1.00 0.00 C ATOM 1461 C SER A 97 -4.333 -16.774 -5.540 1.00 0.00 C ATOM 1462 O SER A 97 -4.586 -17.805 -6.160 1.00 0.00 O ATOM 1463 CB SER A 97 -2.900 -16.241 -3.559 1.00 0.00 C ATOM 1464 OG SER A 97 -3.153 -17.446 -2.859 1.00 0.00 O ATOM 0 H SER A 97 -2.793 -14.417 -5.483 1.00 0.00 H new ATOM 0 HA SER A 97 -2.279 -17.325 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 97 -1.934 -15.837 -3.257 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.653 -15.498 -3.294 1.00 0.00 H new ATOM 0 HG SER A 97 -3.138 -17.273 -1.894 1.00 0.00 H new ATOM 1470 N GLY A 98 -5.257 -15.867 -5.236 1.00 0.00 N ATOM 1471 CA GLY A 98 -6.639 -16.055 -5.632 1.00 0.00 C ATOM 1472 C GLY A 98 -6.794 -16.245 -7.128 1.00 0.00 C ATOM 1473 O GLY A 98 -6.059 -15.664 -7.928 1.00 0.00 O ATOM 0 H GLY A 98 -5.072 -15.005 -4.722 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.047 -16.923 -5.115 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.225 -15.192 -5.316 1.00 0.00 H new ATOM 1477 N PRO A 99 -7.767 -17.078 -7.525 1.00 0.00 N ATOM 1478 CA PRO A 99 -8.037 -17.364 -8.937 1.00 0.00 C ATOM 1479 C PRO A 99 -8.631 -16.165 -9.668 1.00 0.00 C ATOM 1480 O PRO A 99 -9.292 -15.322 -9.062 1.00 0.00 O ATOM 1481 CB PRO A 99 -9.050 -18.510 -8.879 1.00 0.00 C ATOM 1482 CG PRO A 99 -9.722 -18.356 -7.559 1.00 0.00 C ATOM 1483 CD PRO A 99 -8.680 -17.805 -6.627 1.00 0.00 C ATOM 0 HA PRO A 99 -7.127 -17.608 -9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.767 -18.446 -9.698 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.557 -19.479 -8.961 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.576 -17.683 -7.632 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.100 -19.313 -7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.119 -17.144 -5.880 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.164 -18.599 -6.087 1.00 0.00 H new ATOM 1491 N SER A 100 -8.389 -16.095 -10.974 1.00 0.00 N ATOM 1492 CA SER A 100 -8.898 -14.996 -11.787 1.00 0.00 C ATOM 1493 C SER A 100 -10.404 -14.838 -11.606 1.00 0.00 C ATOM 1494 O SER A 100 -10.944 -13.740 -11.736 1.00 0.00 O ATOM 1495 CB SER A 100 -8.572 -15.233 -13.262 1.00 0.00 C ATOM 1496 OG SER A 100 -9.006 -16.516 -13.681 1.00 0.00 O ATOM 0 H SER A 100 -7.844 -16.785 -11.491 1.00 0.00 H new ATOM 0 HA SER A 100 -8.412 -14.077 -11.458 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.051 -14.467 -13.871 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.498 -15.140 -13.420 1.00 0.00 H new ATOM 0 HG SER A 100 -8.787 -16.642 -14.628 1.00 0.00 H new ATOM 1502 N SER A 101 -11.077 -15.944 -11.305 1.00 0.00 N ATOM 1503 CA SER A 101 -12.522 -15.931 -11.110 1.00 0.00 C ATOM 1504 C SER A 101 -13.208 -15.096 -12.186 1.00 0.00 C ATOM 1505 O SER A 101 -14.065 -14.264 -11.890 1.00 0.00 O ATOM 1506 CB SER A 101 -12.866 -15.380 -9.725 1.00 0.00 C ATOM 1507 OG SER A 101 -12.819 -16.401 -8.743 1.00 0.00 O ATOM 0 H SER A 101 -10.644 -16.861 -11.191 1.00 0.00 H new ATOM 0 HA SER A 101 -12.883 -16.957 -11.185 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.167 -14.586 -9.462 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.861 -14.935 -9.744 1.00 0.00 H new ATOM 0 HG SER A 101 -13.041 -16.023 -7.867 1.00 0.00 H new ATOM 1513 N GLY A 102 -12.824 -15.324 -13.439 1.00 0.00 N ATOM 1514 CA GLY A 102 -13.411 -14.585 -14.541 1.00 0.00 C ATOM 1515 C GLY A 102 -13.053 -13.113 -14.509 1.00 0.00 C ATOM 1516 O GLY A 102 -11.877 -12.751 -14.568 1.00 0.00 O ATOM 0 H GLY A 102 -12.117 -16.007 -13.710 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.075 -15.017 -15.484 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.495 -14.693 -14.510 1.00 0.00 H new TER 1520 GLY A 102