USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 THR OG1 : rot 180:sc= -0.478 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.286 K(o=-0.76,f=-4!) USER MOD Set 2.1: A 55 CYS SG : rot -34:sc= -6.15! USER MOD Set 2.2: A 58 THR OG1 : rot -140:sc= 0.298 USER MOD Set 2.3: A 59 GLN : amide:sc= 0.219 K(o=-5.6,f=-9.2!) USER MOD Single : A 1 MET CE :methyl -135:sc= -2.52 (180deg=-5.39!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -66:sc= 0.88 USER MOD Single : A 15 ASN : amide:sc= -0.0904 X(o=-0.09,f=-0.13) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.262 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= 0.329 (180deg=0.182) USER MOD Single : A 39 THR OG1 : rot 76:sc= 1.05 USER MOD Single : A 42 GLN : amide:sc= -0.0541 K(o=-0.054,f=-2.4!) USER MOD Single : A 43 THR OG1 : rot 83:sc= 1.16 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= 1.38 (180deg=0.978) USER MOD Single : A 72 THR OG1 : rot 79:sc= 1.13 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 124:sc= -1.59 USER MOD Single : A 78 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.049) USER MOD Single : A 86 THR OG1 : rot 48:sc= 0.409 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.044 X(o=-0.044,f=-0.046) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.025 -3.639 7.132 1.00 0.00 N ATOM 2 CA MET A 1 7.367 -3.740 5.693 1.00 0.00 C ATOM 3 C MET A 1 7.803 -5.175 5.365 1.00 0.00 C ATOM 4 O MET A 1 8.699 -5.728 6.016 1.00 0.00 O ATOM 5 CB MET A 1 8.464 -2.706 5.312 1.00 0.00 C ATOM 6 CG MET A 1 8.952 -2.764 3.844 1.00 0.00 C ATOM 7 SD MET A 1 10.019 -4.182 3.492 1.00 0.00 S ATOM 8 CE MET A 1 10.361 -3.922 1.758 1.00 0.00 C ATOM 0 H1 MET A 1 6.730 -2.666 7.351 1.00 0.00 H new ATOM 0 H2 MET A 1 6.247 -4.294 7.351 1.00 0.00 H new ATOM 0 H3 MET A 1 7.857 -3.886 7.705 1.00 0.00 H new ATOM 0 HA MET A 1 6.485 -3.506 5.098 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.080 -1.705 5.510 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.322 -2.854 5.968 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.086 -2.798 3.183 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.493 -1.846 3.613 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.257 -4.865 1.221 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.658 -3.194 1.354 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.378 -3.548 1.640 1.00 0.00 H new ATOM 18 N LEU A 2 7.120 -5.764 4.375 1.00 0.00 N ATOM 19 CA LEU A 2 7.457 -7.060 3.775 1.00 0.00 C ATOM 20 C LEU A 2 7.718 -6.835 2.294 1.00 0.00 C ATOM 21 O LEU A 2 7.208 -5.859 1.711 1.00 0.00 O ATOM 22 CB LEU A 2 6.315 -8.097 4.022 1.00 0.00 C ATOM 23 CG LEU A 2 4.856 -7.727 3.527 1.00 0.00 C ATOM 24 CD1 LEU A 2 4.602 -8.118 2.050 1.00 0.00 C ATOM 25 CD2 LEU A 2 3.778 -8.341 4.452 1.00 0.00 C ATOM 0 H LEU A 2 6.293 -5.338 3.957 1.00 0.00 H new ATOM 0 HA LEU A 2 8.352 -7.477 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.603 -9.032 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.265 -8.290 5.094 1.00 0.00 H new ATOM 0 HG LEU A 2 4.782 -6.641 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.586 -7.839 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.312 -7.596 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.729 -9.194 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.788 -8.070 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 2 3.878 -9.426 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.908 -7.960 5.465 1.00 0.00 H new ATOM 37 N LEU A 3 8.529 -7.702 1.686 1.00 0.00 N ATOM 38 CA LEU A 3 8.859 -7.641 0.264 1.00 0.00 C ATOM 39 C LEU A 3 7.623 -8.009 -0.567 1.00 0.00 C ATOM 40 O LEU A 3 7.038 -9.070 -0.374 1.00 0.00 O ATOM 41 CB LEU A 3 10.067 -8.599 -0.015 1.00 0.00 C ATOM 42 CG LEU A 3 11.493 -8.079 0.430 1.00 0.00 C ATOM 43 CD1 LEU A 3 11.512 -7.464 1.843 1.00 0.00 C ATOM 44 CD2 LEU A 3 12.548 -9.200 0.342 1.00 0.00 C ATOM 0 H LEU A 3 8.980 -8.475 2.175 1.00 0.00 H new ATOM 0 HA LEU A 3 9.153 -6.631 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 3 9.876 -9.546 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 3 10.098 -8.808 -1.084 1.00 0.00 H new ATOM 0 HG LEU A 3 11.742 -7.283 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.522 -7.129 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.830 -6.614 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.198 -8.213 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 3 13.518 -8.812 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 3 12.259 -10.024 0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.614 -9.558 -0.685 1.00 0.00 H new ATOM 56 N HIS A 4 7.236 -7.121 -1.492 1.00 0.00 N ATOM 57 CA HIS A 4 6.046 -7.318 -2.351 1.00 0.00 C ATOM 58 C HIS A 4 6.438 -8.261 -3.514 1.00 0.00 C ATOM 59 O HIS A 4 5.582 -8.864 -4.168 1.00 0.00 O ATOM 60 CB HIS A 4 5.517 -5.952 -2.876 1.00 0.00 C ATOM 61 CG HIS A 4 4.141 -6.013 -3.509 1.00 0.00 C ATOM 62 ND1 HIS A 4 3.913 -5.867 -4.865 1.00 0.00 N ATOM 63 CD2 HIS A 4 2.916 -6.206 -2.952 1.00 0.00 C ATOM 64 CE1 HIS A 4 2.616 -5.955 -5.105 1.00 0.00 C ATOM 65 NE2 HIS A 4 1.991 -6.166 -3.968 1.00 0.00 N ATOM 0 H HIS A 4 7.732 -6.248 -1.671 1.00 0.00 H new ATOM 0 HA HIS A 4 5.237 -7.771 -1.777 1.00 0.00 H new ATOM 0 HB2 HIS A 4 5.491 -5.244 -2.048 1.00 0.00 H new ATOM 0 HB3 HIS A 4 6.223 -5.560 -3.608 1.00 0.00 H new ATOM 0 HD2 HIS A 4 2.708 -6.362 -1.904 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.148 -5.868 -6.074 1.00 0.00 H new ATOM 0 HE2 HIS A 4 0.984 -6.281 -3.858 1.00 0.00 H new ATOM 74 N SER A 5 7.760 -8.359 -3.730 1.00 0.00 N ATOM 75 CA SER A 5 8.401 -9.318 -4.618 1.00 0.00 C ATOM 76 C SER A 5 9.848 -9.511 -4.129 1.00 0.00 C ATOM 77 O SER A 5 10.502 -8.532 -3.738 1.00 0.00 O ATOM 78 CB SER A 5 8.375 -8.802 -6.071 1.00 0.00 C ATOM 79 OG SER A 5 8.964 -9.721 -6.961 1.00 0.00 O ATOM 0 H SER A 5 8.430 -7.744 -3.268 1.00 0.00 H new ATOM 0 HA SER A 5 7.871 -10.271 -4.602 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.344 -8.614 -6.372 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.903 -7.850 -6.129 1.00 0.00 H new ATOM 0 HG SER A 5 8.929 -9.362 -7.872 1.00 0.00 H new ATOM 85 N VAL A 6 10.323 -10.769 -4.125 1.00 0.00 N ATOM 86 CA VAL A 6 11.696 -11.125 -3.721 1.00 0.00 C ATOM 87 C VAL A 6 12.289 -12.127 -4.718 1.00 0.00 C ATOM 88 O VAL A 6 11.767 -13.232 -4.887 1.00 0.00 O ATOM 89 CB VAL A 6 11.780 -11.690 -2.240 1.00 0.00 C ATOM 90 CG1 VAL A 6 10.843 -12.900 -1.998 1.00 0.00 C ATOM 91 CG2 VAL A 6 13.254 -12.019 -1.845 1.00 0.00 C ATOM 0 H VAL A 6 9.761 -11.573 -4.404 1.00 0.00 H new ATOM 0 HA VAL A 6 12.283 -10.207 -3.731 1.00 0.00 H new ATOM 0 HB VAL A 6 11.422 -10.895 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.947 -13.240 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.810 -12.603 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 6 11.112 -13.710 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 6 13.280 -12.404 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.655 -12.769 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.858 -11.114 -1.907 1.00 0.00 H new ATOM 101 N GLU A 7 13.369 -11.724 -5.394 1.00 0.00 N ATOM 102 CA GLU A 7 14.114 -12.617 -6.275 1.00 0.00 C ATOM 103 C GLU A 7 14.993 -13.521 -5.379 1.00 0.00 C ATOM 104 O GLU A 7 16.004 -13.073 -4.831 1.00 0.00 O ATOM 105 CB GLU A 7 14.957 -11.797 -7.308 1.00 0.00 C ATOM 106 CG GLU A 7 15.163 -12.476 -8.687 1.00 0.00 C ATOM 107 CD GLU A 7 15.780 -13.888 -8.619 1.00 0.00 C ATOM 108 OE1 GLU A 7 17.000 -14.002 -8.372 1.00 0.00 O ATOM 109 OE2 GLU A 7 15.056 -14.882 -8.827 1.00 0.00 O ATOM 0 H GLU A 7 13.746 -10.777 -5.344 1.00 0.00 H new ATOM 0 HA GLU A 7 13.441 -13.239 -6.865 1.00 0.00 H new ATOM 0 HB2 GLU A 7 14.471 -10.834 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.935 -11.593 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 7 14.200 -12.538 -9.195 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.805 -11.842 -9.298 1.00 0.00 H new ATOM 116 N THR A 8 14.536 -14.766 -5.166 1.00 0.00 N ATOM 117 CA THR A 8 15.245 -15.762 -4.335 1.00 0.00 C ATOM 118 C THR A 8 16.078 -16.690 -5.259 1.00 0.00 C ATOM 119 O THR A 8 15.767 -16.774 -6.451 1.00 0.00 O ATOM 120 CB THR A 8 14.220 -16.590 -3.467 1.00 0.00 C ATOM 121 OG1 THR A 8 13.512 -17.518 -4.282 1.00 0.00 O ATOM 122 CG2 THR A 8 13.188 -15.690 -2.762 1.00 0.00 C ATOM 0 H THR A 8 13.664 -15.114 -5.564 1.00 0.00 H new ATOM 0 HA THR A 8 15.918 -15.252 -3.645 1.00 0.00 H new ATOM 0 HB THR A 8 14.809 -17.110 -2.711 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.941 -17.031 -4.912 1.00 0.00 H new ATOM 0 HG21 THR A 8 12.506 -16.307 -2.178 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.704 -14.994 -2.101 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.623 -15.131 -3.508 1.00 0.00 H new ATOM 130 N PRO A 9 17.153 -17.405 -4.745 1.00 0.00 N ATOM 131 CA PRO A 9 18.022 -18.308 -5.572 1.00 0.00 C ATOM 132 C PRO A 9 17.260 -19.431 -6.327 1.00 0.00 C ATOM 133 O PRO A 9 17.829 -20.087 -7.207 1.00 0.00 O ATOM 134 CB PRO A 9 19.028 -18.897 -4.538 1.00 0.00 C ATOM 135 CG PRO A 9 19.052 -17.896 -3.426 1.00 0.00 C ATOM 136 CD PRO A 9 17.643 -17.354 -3.341 1.00 0.00 C ATOM 0 HA PRO A 9 18.494 -17.752 -6.382 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.705 -19.876 -4.184 1.00 0.00 H new ATOM 0 HB3 PRO A 9 20.017 -19.027 -4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.351 -18.360 -2.486 1.00 0.00 H new ATOM 0 HG3 PRO A 9 19.767 -17.099 -3.630 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.022 -17.958 -2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 9 17.629 -16.337 -2.950 1.00 0.00 H new ATOM 144 N ARG A 10 15.975 -19.627 -5.991 1.00 0.00 N ATOM 145 CA ARG A 10 15.097 -20.594 -6.689 1.00 0.00 C ATOM 146 C ARG A 10 14.222 -19.868 -7.728 1.00 0.00 C ATOM 147 O ARG A 10 13.912 -20.437 -8.784 1.00 0.00 O ATOM 148 CB ARG A 10 14.213 -21.368 -5.667 1.00 0.00 C ATOM 149 CG ARG A 10 13.426 -20.463 -4.695 1.00 0.00 C ATOM 150 CD ARG A 10 12.524 -21.218 -3.711 1.00 0.00 C ATOM 151 NE ARG A 10 11.340 -21.798 -4.364 1.00 0.00 N ATOM 152 CZ ARG A 10 10.412 -22.549 -3.751 1.00 0.00 C ATOM 153 NH1 ARG A 10 10.558 -22.906 -2.477 1.00 0.00 N ATOM 154 NH2 ARG A 10 9.356 -22.950 -4.423 1.00 0.00 N ATOM 0 H ARG A 10 15.513 -19.125 -5.233 1.00 0.00 H new ATOM 0 HA ARG A 10 15.723 -21.317 -7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.508 -21.993 -6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.849 -22.037 -5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.134 -19.858 -4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.812 -19.775 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.097 -22.013 -3.234 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.203 -20.538 -2.922 1.00 0.00 H new ATOM 0 HE ARG A 10 11.215 -21.615 -5.360 1.00 0.00 H new ATOM 0 HH11 ARG A 10 11.382 -22.608 -1.955 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.845 -23.477 -2.022 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.246 -22.690 -5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.646 -23.521 -3.964 1.00 0.00 H new ATOM 168 N GLY A 11 13.811 -18.626 -7.412 1.00 0.00 N ATOM 169 CA GLY A 11 13.105 -17.759 -8.359 1.00 0.00 C ATOM 170 C GLY A 11 12.409 -16.603 -7.653 1.00 0.00 C ATOM 171 O GLY A 11 12.400 -16.532 -6.426 1.00 0.00 O ATOM 0 H GLY A 11 13.960 -18.202 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.812 -17.366 -9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.369 -18.345 -8.910 1.00 0.00 H new ATOM 175 N GLU A 12 11.824 -15.688 -8.431 1.00 0.00 N ATOM 176 CA GLU A 12 11.096 -14.523 -7.888 1.00 0.00 C ATOM 177 C GLU A 12 9.768 -14.986 -7.244 1.00 0.00 C ATOM 178 O GLU A 12 8.997 -15.707 -7.885 1.00 0.00 O ATOM 179 CB GLU A 12 10.833 -13.496 -9.019 1.00 0.00 C ATOM 180 CG GLU A 12 10.188 -12.184 -8.538 1.00 0.00 C ATOM 181 CD GLU A 12 9.843 -11.219 -9.682 1.00 0.00 C ATOM 182 OE1 GLU A 12 10.767 -10.600 -10.260 1.00 0.00 O ATOM 183 OE2 GLU A 12 8.648 -11.064 -10.007 1.00 0.00 O ATOM 0 H GLU A 12 11.838 -15.727 -9.450 1.00 0.00 H new ATOM 0 HA GLU A 12 11.701 -14.042 -7.119 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.777 -13.265 -9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.186 -13.953 -9.768 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.280 -12.417 -7.982 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.867 -11.687 -7.845 1.00 0.00 H new ATOM 190 N ILE A 13 9.501 -14.573 -5.983 1.00 0.00 N ATOM 191 CA ILE A 13 8.337 -15.009 -5.184 1.00 0.00 C ATOM 192 C ILE A 13 7.646 -13.727 -4.658 1.00 0.00 C ATOM 193 O ILE A 13 8.318 -12.872 -4.083 1.00 0.00 O ATOM 194 CB ILE A 13 8.783 -15.895 -3.940 1.00 0.00 C ATOM 195 CG1 ILE A 13 9.787 -17.032 -4.333 1.00 0.00 C ATOM 196 CG2 ILE A 13 7.546 -16.492 -3.218 1.00 0.00 C ATOM 197 CD1 ILE A 13 9.235 -18.108 -5.246 1.00 0.00 C ATOM 0 H ILE A 13 10.101 -13.915 -5.485 1.00 0.00 H new ATOM 0 HA ILE A 13 7.674 -15.613 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 13 9.309 -15.228 -3.257 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.651 -16.577 -4.818 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.147 -17.506 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.875 -17.094 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.907 -15.684 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.986 -17.118 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.013 -18.843 -5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.392 -18.599 -4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.903 -17.657 -6.181 1.00 0.00 H new ATOM 209 N LEU A 14 6.328 -13.592 -4.861 1.00 0.00 N ATOM 210 CA LEU A 14 5.576 -12.378 -4.469 1.00 0.00 C ATOM 211 C LEU A 14 5.111 -12.444 -3.002 1.00 0.00 C ATOM 212 O LEU A 14 4.892 -13.539 -2.473 1.00 0.00 O ATOM 213 CB LEU A 14 4.356 -12.200 -5.406 1.00 0.00 C ATOM 214 CG LEU A 14 4.686 -12.060 -6.924 1.00 0.00 C ATOM 215 CD1 LEU A 14 3.401 -12.052 -7.769 1.00 0.00 C ATOM 216 CD2 LEU A 14 5.546 -10.804 -7.198 1.00 0.00 C ATOM 0 H LEU A 14 5.751 -14.311 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 14 6.243 -11.521 -4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.692 -13.054 -5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.804 -11.315 -5.090 1.00 0.00 H new ATOM 0 HG LEU A 14 5.273 -12.930 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.659 -11.953 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.858 -12.984 -7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.774 -11.213 -7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.759 -10.735 -8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.003 -9.915 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.482 -10.877 -6.645 1.00 0.00 H new ATOM 228 N ASN A 15 4.945 -11.240 -2.392 1.00 0.00 N ATOM 229 CA ASN A 15 4.413 -11.008 -1.018 1.00 0.00 C ATOM 230 C ASN A 15 4.988 -11.978 0.044 1.00 0.00 C ATOM 231 O ASN A 15 4.334 -12.934 0.472 1.00 0.00 O ATOM 232 CB ASN A 15 2.842 -10.924 -1.002 1.00 0.00 C ATOM 233 CG ASN A 15 2.108 -12.193 -1.468 1.00 0.00 C ATOM 234 OD1 ASN A 15 1.712 -13.036 -0.666 1.00 0.00 O ATOM 235 ND2 ASN A 15 1.939 -12.342 -2.770 1.00 0.00 N ATOM 0 H ASN A 15 5.188 -10.368 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 15 4.778 -10.027 -0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.518 -10.689 0.012 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.533 -10.093 -1.636 1.00 0.00 H new ATOM 0 HD21 ASN A 15 1.470 -13.172 -3.132 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.278 -11.627 -3.413 1.00 0.00 H new ATOM 242 N VAL A 16 6.261 -11.738 0.422 1.00 0.00 N ATOM 243 CA VAL A 16 7.002 -12.582 1.385 1.00 0.00 C ATOM 244 C VAL A 16 7.666 -11.697 2.462 1.00 0.00 C ATOM 245 O VAL A 16 8.139 -10.593 2.166 1.00 0.00 O ATOM 246 CB VAL A 16 8.121 -13.434 0.667 1.00 0.00 C ATOM 247 CG1 VAL A 16 8.717 -14.509 1.604 1.00 0.00 C ATOM 248 CG2 VAL A 16 7.608 -14.075 -0.638 1.00 0.00 C ATOM 0 H VAL A 16 6.806 -10.952 0.068 1.00 0.00 H new ATOM 0 HA VAL A 16 6.284 -13.262 1.844 1.00 0.00 H new ATOM 0 HB VAL A 16 8.919 -12.739 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.483 -15.072 1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.161 -14.027 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.928 -15.187 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 16 8.409 -14.652 -1.100 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.769 -14.734 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.282 -13.293 -1.324 1.00 0.00 H new ATOM 258 N SER A 17 7.696 -12.199 3.702 1.00 0.00 N ATOM 259 CA SER A 17 8.426 -11.565 4.811 1.00 0.00 C ATOM 260 C SER A 17 9.934 -11.851 4.681 1.00 0.00 C ATOM 261 O SER A 17 10.317 -12.876 4.129 1.00 0.00 O ATOM 262 CB SER A 17 7.882 -12.100 6.145 1.00 0.00 C ATOM 263 OG SER A 17 8.499 -11.471 7.251 1.00 0.00 O ATOM 0 H SER A 17 7.214 -13.058 3.967 1.00 0.00 H new ATOM 0 HA SER A 17 8.282 -10.485 4.778 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.805 -11.940 6.189 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.047 -13.176 6.200 1.00 0.00 H new ATOM 0 HG SER A 17 8.128 -11.834 8.082 1.00 0.00 H new ATOM 269 N GLU A 18 10.768 -10.934 5.188 1.00 0.00 N ATOM 270 CA GLU A 18 12.245 -11.042 5.125 1.00 0.00 C ATOM 271 C GLU A 18 12.775 -12.330 5.796 1.00 0.00 C ATOM 272 O GLU A 18 13.712 -12.951 5.291 1.00 0.00 O ATOM 273 CB GLU A 18 12.877 -9.794 5.770 1.00 0.00 C ATOM 274 CG GLU A 18 12.539 -8.495 5.027 1.00 0.00 C ATOM 275 CD GLU A 18 12.979 -7.222 5.767 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.302 -6.824 6.735 1.00 0.00 O ATOM 277 OE2 GLU A 18 14.012 -6.625 5.404 1.00 0.00 O ATOM 0 H GLU A 18 10.443 -10.089 5.658 1.00 0.00 H new ATOM 0 HA GLU A 18 12.530 -11.101 4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.536 -9.714 6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.960 -9.917 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.013 -8.515 4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.463 -8.453 4.860 1.00 0.00 H new ATOM 284 N GLN A 19 12.153 -12.725 6.925 1.00 0.00 N ATOM 285 CA GLN A 19 12.522 -13.967 7.633 1.00 0.00 C ATOM 286 C GLN A 19 12.113 -15.196 6.806 1.00 0.00 C ATOM 287 O GLN A 19 12.933 -16.076 6.593 1.00 0.00 O ATOM 288 CB GLN A 19 11.895 -14.036 9.047 1.00 0.00 C ATOM 289 CG GLN A 19 12.379 -12.935 10.006 1.00 0.00 C ATOM 290 CD GLN A 19 11.835 -13.104 11.427 1.00 0.00 C ATOM 291 OE1 GLN A 19 10.765 -12.597 11.763 1.00 0.00 O ATOM 292 NE2 GLN A 19 12.562 -13.828 12.265 1.00 0.00 N ATOM 0 H GLN A 19 11.395 -12.203 7.365 1.00 0.00 H new ATOM 0 HA GLN A 19 13.605 -13.963 7.756 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.811 -13.971 8.955 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.120 -15.008 9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.469 -12.939 10.036 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.075 -11.963 9.619 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.445 -14.234 11.955 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.239 -13.979 13.221 1.00 0.00 H new ATOM 301 N GLU A 20 10.845 -15.220 6.337 1.00 0.00 N ATOM 302 CA GLU A 20 10.282 -16.349 5.550 1.00 0.00 C ATOM 303 C GLU A 20 11.094 -16.592 4.261 1.00 0.00 C ATOM 304 O GLU A 20 11.441 -17.729 3.936 1.00 0.00 O ATOM 305 CB GLU A 20 8.787 -16.081 5.210 1.00 0.00 C ATOM 306 CG GLU A 20 8.126 -17.158 4.320 1.00 0.00 C ATOM 307 CD GLU A 20 6.618 -16.933 4.110 1.00 0.00 C ATOM 308 OE1 GLU A 20 6.229 -16.234 3.146 1.00 0.00 O ATOM 309 OE2 GLU A 20 5.812 -17.440 4.923 1.00 0.00 O ATOM 0 H GLU A 20 10.182 -14.461 6.491 1.00 0.00 H new ATOM 0 HA GLU A 20 10.347 -17.250 6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.225 -16.003 6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.709 -15.116 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.623 -17.172 3.350 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.281 -18.138 4.772 1.00 0.00 H new ATOM 316 N ALA A 21 11.321 -15.506 3.512 1.00 0.00 N ATOM 317 CA ALA A 21 12.205 -15.490 2.334 1.00 0.00 C ATOM 318 C ALA A 21 13.575 -16.147 2.613 1.00 0.00 C ATOM 319 O ALA A 21 13.948 -17.078 1.910 1.00 0.00 O ATOM 320 CB ALA A 21 12.367 -14.049 1.832 1.00 0.00 C ATOM 0 H ALA A 21 10.892 -14.601 3.707 1.00 0.00 H new ATOM 0 HA ALA A 21 11.737 -16.090 1.554 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.021 -14.039 0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.391 -13.647 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.803 -13.436 2.621 1.00 0.00 H new ATOM 326 N ARG A 22 14.283 -15.695 3.661 1.00 0.00 N ATOM 327 CA ARG A 22 15.620 -16.236 4.015 1.00 0.00 C ATOM 328 C ARG A 22 15.542 -17.695 4.510 1.00 0.00 C ATOM 329 O ARG A 22 16.430 -18.504 4.214 1.00 0.00 O ATOM 330 CB ARG A 22 16.318 -15.357 5.088 1.00 0.00 C ATOM 331 CG ARG A 22 16.695 -13.947 4.600 1.00 0.00 C ATOM 332 CD ARG A 22 17.482 -13.120 5.631 1.00 0.00 C ATOM 333 NE ARG A 22 16.711 -12.836 6.857 1.00 0.00 N ATOM 334 CZ ARG A 22 17.084 -11.992 7.833 1.00 0.00 C ATOM 335 NH1 ARG A 22 18.201 -11.277 7.731 1.00 0.00 N ATOM 336 NH2 ARG A 22 16.326 -11.868 8.912 1.00 0.00 N ATOM 0 H ARG A 22 13.957 -14.955 4.283 1.00 0.00 H new ATOM 0 HA ARG A 22 16.213 -16.218 3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 22 15.659 -15.266 5.952 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.221 -15.865 5.427 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.289 -14.035 3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 22 15.784 -13.409 4.336 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.393 -13.656 5.898 1.00 0.00 H new ATOM 0 HD3 ARG A 22 17.788 -12.178 5.175 1.00 0.00 H new ATOM 0 HE ARG A 22 15.821 -13.321 6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 22 18.789 -11.365 6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 22 18.470 -10.641 8.482 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.467 -12.411 8.997 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.602 -11.229 9.658 1.00 0.00 H new ATOM 350 N ASP A 23 14.469 -18.018 5.254 1.00 0.00 N ATOM 351 CA ASP A 23 14.318 -19.308 5.959 1.00 0.00 C ATOM 352 C ASP A 23 13.875 -20.422 4.994 1.00 0.00 C ATOM 353 O ASP A 23 14.609 -21.391 4.757 1.00 0.00 O ATOM 354 CB ASP A 23 13.292 -19.140 7.121 1.00 0.00 C ATOM 355 CG ASP A 23 12.995 -20.439 7.887 1.00 0.00 C ATOM 356 OD1 ASP A 23 13.814 -20.834 8.741 1.00 0.00 O ATOM 357 OD2 ASP A 23 11.938 -21.065 7.649 1.00 0.00 O ATOM 0 H ASP A 23 13.677 -17.389 5.385 1.00 0.00 H new ATOM 0 HA ASP A 23 15.284 -19.602 6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.671 -18.396 7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.359 -18.749 6.714 1.00 0.00 H new ATOM 362 N VAL A 24 12.668 -20.258 4.434 1.00 0.00 N ATOM 363 CA VAL A 24 12.033 -21.238 3.537 1.00 0.00 C ATOM 364 C VAL A 24 12.621 -21.138 2.119 1.00 0.00 C ATOM 365 O VAL A 24 13.273 -22.071 1.634 1.00 0.00 O ATOM 366 CB VAL A 24 10.469 -21.006 3.488 1.00 0.00 C ATOM 367 CG1 VAL A 24 9.767 -22.011 2.537 1.00 0.00 C ATOM 368 CG2 VAL A 24 9.854 -21.057 4.909 1.00 0.00 C ATOM 0 H VAL A 24 12.096 -19.429 4.593 1.00 0.00 H new ATOM 0 HA VAL A 24 12.232 -22.236 3.928 1.00 0.00 H new ATOM 0 HB VAL A 24 10.301 -20.008 3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.694 -21.818 2.532 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.162 -21.894 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.951 -23.028 2.883 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.778 -20.894 4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.048 -22.033 5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.303 -20.280 5.528 1.00 0.00 H new ATOM 378 N PHE A 25 12.425 -19.963 1.494 1.00 0.00 N ATOM 379 CA PHE A 25 12.747 -19.729 0.067 1.00 0.00 C ATOM 380 C PHE A 25 14.256 -19.549 -0.170 1.00 0.00 C ATOM 381 O PHE A 25 14.697 -19.503 -1.318 1.00 0.00 O ATOM 382 CB PHE A 25 11.949 -18.507 -0.460 1.00 0.00 C ATOM 383 CG PHE A 25 10.434 -18.699 -0.381 1.00 0.00 C ATOM 384 CD1 PHE A 25 9.773 -19.517 -1.300 1.00 0.00 C ATOM 385 CD2 PHE A 25 9.670 -18.072 0.608 1.00 0.00 C ATOM 386 CE1 PHE A 25 8.402 -19.706 -1.233 1.00 0.00 C ATOM 387 CE2 PHE A 25 8.301 -18.260 0.674 1.00 0.00 C ATOM 388 CZ PHE A 25 7.669 -19.074 -0.247 1.00 0.00 C ATOM 0 H PHE A 25 12.038 -19.144 1.962 1.00 0.00 H new ATOM 0 HA PHE A 25 12.450 -20.617 -0.491 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.228 -17.624 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.231 -18.316 -1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.340 -20.010 -2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.155 -17.432 1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.908 -20.345 -1.949 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.726 -17.770 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.600 -19.216 -0.196 1.00 0.00 H new ATOM 398 N GLY A 26 15.023 -19.421 0.928 1.00 0.00 N ATOM 399 CA GLY A 26 16.486 -19.390 0.874 1.00 0.00 C ATOM 400 C GLY A 26 17.070 -18.119 0.274 1.00 0.00 C ATOM 401 O GLY A 26 18.237 -18.113 -0.134 1.00 0.00 O ATOM 0 H GLY A 26 14.643 -19.337 1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 26 16.877 -19.512 1.884 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.833 -20.244 0.292 1.00 0.00 H new ATOM 405 N ALA A 27 16.252 -17.046 0.219 1.00 0.00 N ATOM 406 CA ALA A 27 16.684 -15.723 -0.251 1.00 0.00 C ATOM 407 C ALA A 27 17.880 -15.232 0.558 1.00 0.00 C ATOM 408 O ALA A 27 17.796 -15.132 1.784 1.00 0.00 O ATOM 409 CB ALA A 27 15.542 -14.712 -0.156 1.00 0.00 C ATOM 0 H ALA A 27 15.272 -17.079 0.501 1.00 0.00 H new ATOM 0 HA ALA A 27 16.979 -15.818 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 27 15.886 -13.740 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.707 -15.047 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 27 15.217 -14.627 0.881 1.00 0.00 H new ATOM 415 N SER A 28 18.995 -14.962 -0.134 1.00 0.00 N ATOM 416 CA SER A 28 20.210 -14.435 0.495 1.00 0.00 C ATOM 417 C SER A 28 19.931 -13.064 1.133 1.00 0.00 C ATOM 418 O SER A 28 18.944 -12.413 0.797 1.00 0.00 O ATOM 419 CB SER A 28 21.345 -14.342 -0.550 1.00 0.00 C ATOM 420 OG SER A 28 21.026 -13.465 -1.608 1.00 0.00 O ATOM 0 H SER A 28 19.079 -15.102 -1.141 1.00 0.00 H new ATOM 0 HA SER A 28 20.526 -15.114 1.287 1.00 0.00 H new ATOM 0 HB2 SER A 28 22.259 -14.002 -0.062 1.00 0.00 H new ATOM 0 HB3 SER A 28 21.548 -15.335 -0.952 1.00 0.00 H new ATOM 0 HG SER A 28 21.771 -13.435 -2.244 1.00 0.00 H new ATOM 426 N GLU A 29 20.837 -12.604 2.001 1.00 0.00 N ATOM 427 CA GLU A 29 20.672 -11.318 2.702 1.00 0.00 C ATOM 428 C GLU A 29 20.943 -10.166 1.716 1.00 0.00 C ATOM 429 O GLU A 29 20.455 -9.054 1.897 1.00 0.00 O ATOM 430 CB GLU A 29 21.588 -11.253 3.945 1.00 0.00 C ATOM 431 CG GLU A 29 21.220 -12.300 5.022 1.00 0.00 C ATOM 432 CD GLU A 29 22.029 -12.152 6.319 1.00 0.00 C ATOM 433 OE1 GLU A 29 21.611 -11.361 7.199 1.00 0.00 O ATOM 434 OE2 GLU A 29 23.079 -12.816 6.474 1.00 0.00 O ATOM 0 H GLU A 29 21.695 -13.101 2.238 1.00 0.00 H new ATOM 0 HA GLU A 29 19.648 -11.222 3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 29 22.622 -11.406 3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 29 21.530 -10.256 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 29 20.158 -12.215 5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 29 21.378 -13.299 4.616 1.00 0.00 H new ATOM 441 N GLN A 30 21.715 -10.477 0.662 1.00 0.00 N ATOM 442 CA GLN A 30 21.920 -9.589 -0.492 1.00 0.00 C ATOM 443 C GLN A 30 20.659 -9.532 -1.383 1.00 0.00 C ATOM 444 O GLN A 30 20.346 -8.480 -1.947 1.00 0.00 O ATOM 445 CB GLN A 30 23.137 -10.091 -1.303 1.00 0.00 C ATOM 446 CG GLN A 30 24.453 -10.150 -0.486 1.00 0.00 C ATOM 447 CD GLN A 30 25.641 -10.763 -1.235 1.00 0.00 C ATOM 448 OE1 GLN A 30 25.749 -10.659 -2.462 1.00 0.00 O ATOM 449 NE2 GLN A 30 26.534 -11.425 -0.503 1.00 0.00 N ATOM 0 H GLN A 30 22.219 -11.361 0.587 1.00 0.00 H new ATOM 0 HA GLN A 30 22.111 -8.578 -0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 30 22.917 -11.085 -1.692 1.00 0.00 H new ATOM 0 HB3 GLN A 30 23.283 -9.437 -2.163 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.718 -9.139 -0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.276 -10.726 0.422 1.00 0.00 H new ATOM 0 HE21 GLN A 30 26.416 -11.492 0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 30 27.337 -11.865 -0.953 1.00 0.00 H new ATOM 458 N ALA A 31 19.952 -10.682 -1.518 1.00 0.00 N ATOM 459 CA ALA A 31 18.690 -10.756 -2.283 1.00 0.00 C ATOM 460 C ALA A 31 17.605 -9.938 -1.581 1.00 0.00 C ATOM 461 O ALA A 31 16.922 -9.146 -2.226 1.00 0.00 O ATOM 462 CB ALA A 31 18.229 -12.210 -2.478 1.00 0.00 C ATOM 0 H ALA A 31 20.238 -11.570 -1.105 1.00 0.00 H new ATOM 0 HA ALA A 31 18.871 -10.336 -3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 31 17.298 -12.224 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 31 18.993 -12.764 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 31 18.068 -12.674 -1.505 1.00 0.00 H new ATOM 468 N ILE A 32 17.419 -10.180 -0.262 1.00 0.00 N ATOM 469 CA ILE A 32 16.584 -9.326 0.605 1.00 0.00 C ATOM 470 C ILE A 32 16.923 -7.842 0.454 1.00 0.00 C ATOM 471 O ILE A 32 16.038 -7.076 0.195 1.00 0.00 O ATOM 472 CB ILE A 32 16.687 -9.707 2.131 1.00 0.00 C ATOM 473 CG1 ILE A 32 16.398 -11.214 2.349 1.00 0.00 C ATOM 474 CG2 ILE A 32 15.739 -8.837 3.011 1.00 0.00 C ATOM 475 CD1 ILE A 32 15.044 -11.686 1.869 1.00 0.00 C ATOM 0 H ILE A 32 17.843 -10.969 0.226 1.00 0.00 H new ATOM 0 HA ILE A 32 15.563 -9.505 0.267 1.00 0.00 H new ATOM 0 HB ILE A 32 17.711 -9.502 2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.168 -11.793 1.839 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.486 -11.434 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 32 15.840 -9.131 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 32 16.005 -7.786 2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.708 -8.985 2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.939 -12.753 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.261 -11.141 2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.954 -11.505 0.798 1.00 0.00 H new ATOM 487 N ALA A 33 18.202 -7.460 0.668 1.00 0.00 N ATOM 488 CA ALA A 33 18.681 -6.062 0.488 1.00 0.00 C ATOM 489 C ALA A 33 18.160 -5.418 -0.827 1.00 0.00 C ATOM 490 O ALA A 33 17.566 -4.336 -0.798 1.00 0.00 O ATOM 491 CB ALA A 33 20.217 -6.021 0.554 1.00 0.00 C ATOM 0 H ALA A 33 18.932 -8.106 0.969 1.00 0.00 H new ATOM 0 HA ALA A 33 18.272 -5.466 1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.560 -4.995 0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.550 -6.392 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.632 -6.647 -0.236 1.00 0.00 H new ATOM 497 N ASP A 34 18.399 -6.097 -1.964 1.00 0.00 N ATOM 498 CA ASP A 34 17.884 -5.685 -3.292 1.00 0.00 C ATOM 499 C ASP A 34 16.343 -5.540 -3.324 1.00 0.00 C ATOM 500 O ASP A 34 15.821 -4.481 -3.659 1.00 0.00 O ATOM 501 CB ASP A 34 18.324 -6.709 -4.373 1.00 0.00 C ATOM 502 CG ASP A 34 17.953 -6.260 -5.801 1.00 0.00 C ATOM 503 OD1 ASP A 34 18.641 -5.366 -6.340 1.00 0.00 O ATOM 504 OD2 ASP A 34 16.973 -6.784 -6.379 1.00 0.00 O ATOM 0 H ASP A 34 18.956 -6.951 -1.992 1.00 0.00 H new ATOM 0 HA ASP A 34 18.309 -4.703 -3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.402 -6.856 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 34 17.858 -7.673 -4.166 1.00 0.00 H new ATOM 509 N ALA A 35 15.651 -6.627 -2.978 1.00 0.00 N ATOM 510 CA ALA A 35 14.174 -6.729 -3.039 1.00 0.00 C ATOM 511 C ALA A 35 13.451 -5.847 -1.998 1.00 0.00 C ATOM 512 O ALA A 35 12.286 -5.489 -2.183 1.00 0.00 O ATOM 513 CB ALA A 35 13.767 -8.192 -2.884 1.00 0.00 C ATOM 0 H ALA A 35 16.099 -7.479 -2.641 1.00 0.00 H new ATOM 0 HA ALA A 35 13.862 -6.350 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.681 -8.274 -2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 35 14.208 -8.780 -3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 35 14.121 -8.568 -1.924 1.00 0.00 H new ATOM 519 N ARG A 36 14.157 -5.518 -0.916 1.00 0.00 N ATOM 520 CA ARG A 36 13.667 -4.622 0.145 1.00 0.00 C ATOM 521 C ARG A 36 13.716 -3.198 -0.381 1.00 0.00 C ATOM 522 O ARG A 36 12.742 -2.459 -0.278 1.00 0.00 O ATOM 523 CB ARG A 36 14.504 -4.745 1.446 1.00 0.00 C ATOM 524 CG ARG A 36 14.101 -3.755 2.565 1.00 0.00 C ATOM 525 CD ARG A 36 14.998 -3.842 3.803 1.00 0.00 C ATOM 526 NE ARG A 36 14.698 -2.761 4.768 1.00 0.00 N ATOM 527 CZ ARG A 36 14.571 -2.897 6.091 1.00 0.00 C ATOM 528 NH1 ARG A 36 14.643 -4.086 6.668 1.00 0.00 N ATOM 529 NH2 ARG A 36 14.325 -1.832 6.832 1.00 0.00 N ATOM 0 H ARG A 36 15.099 -5.869 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 36 12.646 -4.904 0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.412 -5.762 1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.555 -4.590 1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.135 -2.739 2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.069 -3.949 2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 36 14.861 -4.810 4.285 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.044 -3.781 3.501 1.00 0.00 H new ATOM 0 HE ARG A 36 14.577 -1.823 4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.798 -4.920 6.101 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.544 -4.169 7.680 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.234 -0.916 6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.226 -1.926 7.843 1.00 0.00 H new ATOM 543 N LYS A 37 14.867 -2.850 -0.983 1.00 0.00 N ATOM 544 CA LYS A 37 15.055 -1.604 -1.735 1.00 0.00 C ATOM 545 C LYS A 37 14.032 -1.513 -2.871 1.00 0.00 C ATOM 546 O LYS A 37 13.486 -0.462 -3.104 1.00 0.00 O ATOM 547 CB LYS A 37 16.488 -1.573 -2.329 1.00 0.00 C ATOM 548 CG LYS A 37 16.770 -0.449 -3.368 1.00 0.00 C ATOM 549 CD LYS A 37 18.020 -0.736 -4.236 1.00 0.00 C ATOM 550 CE LYS A 37 17.888 -2.046 -5.050 1.00 0.00 C ATOM 551 NZ LYS A 37 19.091 -2.333 -5.862 1.00 0.00 N ATOM 0 H LYS A 37 15.701 -3.436 -0.959 1.00 0.00 H new ATOM 0 HA LYS A 37 14.915 -0.758 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.198 -1.469 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.685 -2.535 -2.801 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.901 -0.333 -4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.906 0.498 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.183 0.098 -4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.898 -0.798 -3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.707 -2.877 -4.368 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.020 -1.977 -5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 19.100 -3.339 -6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.076 -1.750 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.944 -2.112 -5.309 1.00 0.00 H new ATOM 565 N ALA A 38 13.743 -2.651 -3.522 1.00 0.00 N ATOM 566 CA ALA A 38 12.899 -2.688 -4.721 1.00 0.00 C ATOM 567 C ALA A 38 11.447 -2.373 -4.341 1.00 0.00 C ATOM 568 O ALA A 38 10.776 -1.581 -5.014 1.00 0.00 O ATOM 569 CB ALA A 38 12.998 -4.060 -5.408 1.00 0.00 C ATOM 0 H ALA A 38 14.087 -3.566 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 38 13.249 -1.934 -5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.365 -4.069 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.032 -4.248 -5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.667 -4.837 -4.719 1.00 0.00 H new ATOM 575 N THR A 39 10.995 -2.977 -3.218 1.00 0.00 N ATOM 576 CA THR A 39 9.642 -2.775 -2.700 1.00 0.00 C ATOM 577 C THR A 39 9.510 -1.350 -2.139 1.00 0.00 C ATOM 578 O THR A 39 8.568 -0.676 -2.464 1.00 0.00 O ATOM 579 CB THR A 39 9.258 -3.848 -1.624 1.00 0.00 C ATOM 580 OG1 THR A 39 9.382 -5.167 -2.190 1.00 0.00 O ATOM 581 CG2 THR A 39 7.820 -3.658 -1.085 1.00 0.00 C ATOM 0 H THR A 39 11.562 -3.612 -2.656 1.00 0.00 H new ATOM 0 HA THR A 39 8.940 -2.898 -3.524 1.00 0.00 H new ATOM 0 HB THR A 39 9.944 -3.724 -0.786 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.330 -5.410 -2.249 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.605 -4.427 -0.343 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.731 -2.674 -0.624 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.109 -3.739 -1.908 1.00 0.00 H new ATOM 589 N ILE A 40 10.502 -0.892 -1.355 1.00 0.00 N ATOM 590 CA ILE A 40 10.508 0.468 -0.751 1.00 0.00 C ATOM 591 C ILE A 40 10.492 1.567 -1.841 1.00 0.00 C ATOM 592 O ILE A 40 9.576 2.372 -1.890 1.00 0.00 O ATOM 593 CB ILE A 40 11.748 0.650 0.228 1.00 0.00 C ATOM 594 CG1 ILE A 40 11.515 -0.130 1.563 1.00 0.00 C ATOM 595 CG2 ILE A 40 12.087 2.139 0.512 1.00 0.00 C ATOM 596 CD1 ILE A 40 10.332 0.363 2.381 1.00 0.00 C ATOM 0 H ILE A 40 11.324 -1.447 -1.118 1.00 0.00 H new ATOM 0 HA ILE A 40 9.597 0.575 -0.162 1.00 0.00 H new ATOM 0 HB ILE A 40 12.613 0.230 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.367 -1.185 1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.416 -0.061 2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.942 2.195 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.329 2.642 -0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.228 2.626 0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.244 -0.233 3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.484 1.409 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.419 0.267 1.794 1.00 0.00 H new ATOM 608 N LEU A 41 11.502 1.540 -2.712 1.00 0.00 N ATOM 609 CA LEU A 41 11.701 2.507 -3.821 1.00 0.00 C ATOM 610 C LEU A 41 10.445 2.625 -4.709 1.00 0.00 C ATOM 611 O LEU A 41 10.080 3.723 -5.127 1.00 0.00 O ATOM 612 CB LEU A 41 12.997 2.106 -4.622 1.00 0.00 C ATOM 613 CG LEU A 41 13.088 2.405 -6.165 1.00 0.00 C ATOM 614 CD1 LEU A 41 14.562 2.596 -6.596 1.00 0.00 C ATOM 615 CD2 LEU A 41 12.452 1.267 -7.015 1.00 0.00 C ATOM 0 H LEU A 41 12.232 0.828 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 41 11.852 3.507 -3.415 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.841 2.603 -4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.142 1.034 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 41 12.529 3.323 -6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 41 14.605 2.802 -7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.996 3.432 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.125 1.689 -6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.536 1.513 -8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.974 0.330 -6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.400 1.159 -6.750 1.00 0.00 H new ATOM 627 N GLN A 42 9.769 1.489 -4.943 1.00 0.00 N ATOM 628 CA GLN A 42 8.557 1.443 -5.778 1.00 0.00 C ATOM 629 C GLN A 42 7.336 1.961 -4.983 1.00 0.00 C ATOM 630 O GLN A 42 6.644 2.875 -5.420 1.00 0.00 O ATOM 631 CB GLN A 42 8.323 -0.009 -6.272 1.00 0.00 C ATOM 632 CG GLN A 42 7.264 -0.176 -7.385 1.00 0.00 C ATOM 633 CD GLN A 42 7.726 0.257 -8.784 1.00 0.00 C ATOM 634 OE1 GLN A 42 8.580 1.128 -8.944 1.00 0.00 O ATOM 635 NE2 GLN A 42 7.142 -0.338 -9.811 1.00 0.00 N ATOM 0 H GLN A 42 10.044 0.583 -4.563 1.00 0.00 H new ATOM 0 HA GLN A 42 8.690 2.090 -6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.271 -0.407 -6.635 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.027 -0.620 -5.419 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.962 -1.222 -7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.380 0.401 -7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.437 -1.057 -9.650 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.397 -0.078 -10.764 1.00 0.00 H new ATOM 644 N THR A 43 7.149 1.382 -3.783 1.00 0.00 N ATOM 645 CA THR A 43 6.005 1.655 -2.881 1.00 0.00 C ATOM 646 C THR A 43 5.900 3.146 -2.542 1.00 0.00 C ATOM 647 O THR A 43 4.847 3.712 -2.681 1.00 0.00 O ATOM 648 CB THR A 43 6.080 0.808 -1.552 1.00 0.00 C ATOM 649 OG1 THR A 43 5.944 -0.589 -1.863 1.00 0.00 O ATOM 650 CG2 THR A 43 5.002 1.179 -0.516 1.00 0.00 C ATOM 0 H THR A 43 7.800 0.696 -3.401 1.00 0.00 H new ATOM 0 HA THR A 43 5.109 1.355 -3.424 1.00 0.00 H new ATOM 0 HB THR A 43 7.050 1.032 -1.107 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.812 -0.948 -2.144 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.118 0.554 0.370 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.110 2.227 -0.238 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.013 1.018 -0.946 1.00 0.00 H new ATOM 658 N LEU A 44 7.018 3.761 -2.148 1.00 0.00 N ATOM 659 CA LEU A 44 7.077 5.172 -1.713 1.00 0.00 C ATOM 660 C LEU A 44 6.815 6.137 -2.890 1.00 0.00 C ATOM 661 O LEU A 44 6.189 7.187 -2.703 1.00 0.00 O ATOM 662 CB LEU A 44 8.439 5.447 -1.035 1.00 0.00 C ATOM 663 CG LEU A 44 8.759 4.597 0.245 1.00 0.00 C ATOM 664 CD1 LEU A 44 10.018 5.112 0.966 1.00 0.00 C ATOM 665 CD2 LEU A 44 7.545 4.506 1.201 1.00 0.00 C ATOM 0 H LEU A 44 7.924 3.293 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 44 6.286 5.351 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.228 5.274 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.481 6.502 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 44 8.971 3.582 -0.091 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.209 4.500 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.873 5.054 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.865 6.148 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.812 3.909 2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.258 5.508 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.708 4.038 0.683 1.00 0.00 H new ATOM 677 N ARG A 45 7.274 5.754 -4.105 1.00 0.00 N ATOM 678 CA ARG A 45 6.968 6.491 -5.364 1.00 0.00 C ATOM 679 C ARG A 45 5.460 6.455 -5.679 1.00 0.00 C ATOM 680 O ARG A 45 4.922 7.380 -6.291 1.00 0.00 O ATOM 681 CB ARG A 45 7.777 5.898 -6.560 1.00 0.00 C ATOM 682 CG ARG A 45 9.256 6.358 -6.657 1.00 0.00 C ATOM 683 CD ARG A 45 9.422 7.805 -7.183 1.00 0.00 C ATOM 684 NE ARG A 45 8.940 8.835 -6.235 1.00 0.00 N ATOM 685 CZ ARG A 45 8.444 10.034 -6.581 1.00 0.00 C ATOM 686 NH1 ARG A 45 8.260 10.360 -7.858 1.00 0.00 N ATOM 687 NH2 ARG A 45 8.103 10.897 -5.645 1.00 0.00 N ATOM 0 H ARG A 45 7.863 4.933 -4.245 1.00 0.00 H new ATOM 0 HA ARG A 45 7.263 7.530 -5.218 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.757 4.811 -6.487 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.270 6.165 -7.487 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.716 6.283 -5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.797 5.677 -7.314 1.00 0.00 H new ATOM 0 HD2 ARG A 45 10.475 7.986 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.881 7.906 -8.124 1.00 0.00 H new ATOM 0 HE ARG A 45 8.989 8.617 -5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.497 9.694 -8.594 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.882 11.276 -8.101 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.216 10.653 -4.661 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.726 11.809 -5.905 1.00 0.00 H new ATOM 701 N ILE A 46 4.805 5.368 -5.257 1.00 0.00 N ATOM 702 CA ILE A 46 3.379 5.110 -5.526 1.00 0.00 C ATOM 703 C ILE A 46 2.490 5.516 -4.318 1.00 0.00 C ATOM 704 O ILE A 46 1.309 5.818 -4.494 1.00 0.00 O ATOM 705 CB ILE A 46 3.186 3.585 -5.893 1.00 0.00 C ATOM 706 CG1 ILE A 46 4.046 3.212 -7.146 1.00 0.00 C ATOM 707 CG2 ILE A 46 1.702 3.221 -6.135 1.00 0.00 C ATOM 708 CD1 ILE A 46 4.029 1.736 -7.511 1.00 0.00 C ATOM 0 H ILE A 46 5.253 4.631 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 46 3.062 5.723 -6.370 1.00 0.00 H new ATOM 0 HB ILE A 46 3.526 3.004 -5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.688 3.788 -8.000 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.077 3.516 -6.966 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.623 2.163 -6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.125 3.426 -5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.311 3.818 -6.959 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.652 1.571 -8.390 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.417 1.151 -6.677 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.007 1.426 -7.727 1.00 0.00 H new ATOM 720 N GLU A 47 3.095 5.578 -3.105 1.00 0.00 N ATOM 721 CA GLU A 47 2.378 5.802 -1.810 1.00 0.00 C ATOM 722 C GLU A 47 1.632 7.136 -1.799 1.00 0.00 C ATOM 723 O GLU A 47 0.556 7.247 -1.211 1.00 0.00 O ATOM 724 CB GLU A 47 3.360 5.727 -0.586 1.00 0.00 C ATOM 725 CG GLU A 47 3.424 4.375 0.149 1.00 0.00 C ATOM 726 CD GLU A 47 2.070 3.927 0.726 1.00 0.00 C ATOM 727 OE1 GLU A 47 1.560 4.599 1.645 1.00 0.00 O ATOM 728 OE2 GLU A 47 1.504 2.913 0.267 1.00 0.00 O ATOM 0 H GLU A 47 4.103 5.474 -2.990 1.00 0.00 H new ATOM 0 HA GLU A 47 1.646 5.000 -1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.362 5.976 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.072 6.495 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.787 3.612 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.150 4.444 0.959 1.00 0.00 H new ATOM 735 N ARG A 48 2.245 8.130 -2.433 1.00 0.00 N ATOM 736 CA ARG A 48 1.657 9.457 -2.628 1.00 0.00 C ATOM 737 C ARG A 48 0.301 9.365 -3.383 1.00 0.00 C ATOM 738 O ARG A 48 -0.671 9.989 -2.976 1.00 0.00 O ATOM 739 CB ARG A 48 2.679 10.351 -3.374 1.00 0.00 C ATOM 740 CG ARG A 48 3.235 9.751 -4.682 1.00 0.00 C ATOM 741 CD ARG A 48 4.235 10.680 -5.384 1.00 0.00 C ATOM 742 NE ARG A 48 3.678 12.015 -5.648 1.00 0.00 N ATOM 743 CZ ARG A 48 2.750 12.317 -6.581 1.00 0.00 C ATOM 744 NH1 ARG A 48 2.218 11.372 -7.352 1.00 0.00 N ATOM 745 NH2 ARG A 48 2.356 13.573 -6.711 1.00 0.00 N ATOM 0 H ARG A 48 3.179 8.038 -2.833 1.00 0.00 H new ATOM 0 HA ARG A 48 1.438 9.908 -1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.206 11.306 -3.602 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.513 10.561 -2.704 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.721 8.800 -4.463 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.408 9.537 -5.359 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.128 10.779 -4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.546 10.228 -6.326 1.00 0.00 H new ATOM 0 HE ARG A 48 4.024 12.783 -5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.510 10.401 -7.243 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.518 11.619 -8.052 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.752 14.297 -6.111 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.656 13.818 -7.411 1.00 0.00 H new ATOM 759 N ASP A 49 0.250 8.521 -4.435 1.00 0.00 N ATOM 760 CA ASP A 49 -0.966 8.298 -5.255 1.00 0.00 C ATOM 761 C ASP A 49 -2.005 7.453 -4.486 1.00 0.00 C ATOM 762 O ASP A 49 -3.210 7.639 -4.665 1.00 0.00 O ATOM 763 CB ASP A 49 -0.591 7.590 -6.585 1.00 0.00 C ATOM 764 CG ASP A 49 0.408 8.401 -7.429 1.00 0.00 C ATOM 765 OD1 ASP A 49 1.629 8.266 -7.213 1.00 0.00 O ATOM 766 OD2 ASP A 49 -0.020 9.185 -8.302 1.00 0.00 O ATOM 0 H ASP A 49 1.052 7.972 -4.743 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.408 9.269 -5.476 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.163 6.612 -6.363 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.496 7.417 -7.167 1.00 0.00 H new ATOM 771 N GLU A 50 -1.510 6.520 -3.637 1.00 0.00 N ATOM 772 CA GLU A 50 -2.355 5.639 -2.785 1.00 0.00 C ATOM 773 C GLU A 50 -3.278 6.473 -1.880 1.00 0.00 C ATOM 774 O GLU A 50 -4.492 6.272 -1.843 1.00 0.00 O ATOM 775 CB GLU A 50 -1.464 4.726 -1.893 1.00 0.00 C ATOM 776 CG GLU A 50 -0.487 3.803 -2.648 1.00 0.00 C ATOM 777 CD GLU A 50 -1.156 2.662 -3.422 1.00 0.00 C ATOM 778 OE1 GLU A 50 -1.709 1.747 -2.778 1.00 0.00 O ATOM 779 OE2 GLU A 50 -1.102 2.645 -4.661 1.00 0.00 O ATOM 0 H GLU A 50 -0.510 6.354 -3.521 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.963 5.023 -3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.889 5.359 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.114 4.108 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.095 4.405 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.215 3.376 -1.932 1.00 0.00 H new ATOM 786 N ARG A 51 -2.664 7.424 -1.161 1.00 0.00 N ATOM 787 CA ARG A 51 -3.371 8.286 -0.196 1.00 0.00 C ATOM 788 C ARG A 51 -4.118 9.448 -0.883 1.00 0.00 C ATOM 789 O ARG A 51 -5.053 9.998 -0.298 1.00 0.00 O ATOM 790 CB ARG A 51 -2.425 8.779 0.928 1.00 0.00 C ATOM 791 CG ARG A 51 -1.095 9.408 0.480 1.00 0.00 C ATOM 792 CD ARG A 51 -0.198 9.808 1.682 1.00 0.00 C ATOM 793 NE ARG A 51 -0.071 8.739 2.694 1.00 0.00 N ATOM 794 CZ ARG A 51 0.709 7.661 2.594 1.00 0.00 C ATOM 795 NH1 ARG A 51 1.474 7.472 1.537 1.00 0.00 N ATOM 796 NH2 ARG A 51 0.713 6.770 3.559 1.00 0.00 N ATOM 0 H ARG A 51 -1.665 7.619 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.136 7.671 0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.963 9.512 1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.200 7.935 1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.557 8.702 -0.153 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.299 10.290 -0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.794 10.072 1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.611 10.699 2.154 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.628 8.833 3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.476 8.155 0.780 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.064 6.642 1.476 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.122 6.904 4.379 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.307 5.944 3.488 1.00 0.00 H new ATOM 810 N LEU A 52 -3.684 9.841 -2.098 1.00 0.00 N ATOM 811 CA LEU A 52 -4.411 10.836 -2.928 1.00 0.00 C ATOM 812 C LEU A 52 -5.757 10.272 -3.426 1.00 0.00 C ATOM 813 O LEU A 52 -6.754 11.003 -3.472 1.00 0.00 O ATOM 814 CB LEU A 52 -3.510 11.353 -4.106 1.00 0.00 C ATOM 815 CG LEU A 52 -2.715 12.684 -3.835 1.00 0.00 C ATOM 816 CD1 LEU A 52 -2.190 12.757 -2.391 1.00 0.00 C ATOM 817 CD2 LEU A 52 -1.568 12.864 -4.859 1.00 0.00 C ATOM 0 H LEU A 52 -2.832 9.486 -2.531 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.643 11.697 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.794 10.571 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.142 11.503 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.414 13.510 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.648 13.692 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.029 12.714 -1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.521 11.917 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.035 13.791 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.878 12.024 -4.784 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.982 12.904 -5.866 1.00 0.00 H new ATOM 829 N ARG A 53 -5.794 8.965 -3.776 1.00 0.00 N ATOM 830 CA ARG A 53 -7.062 8.289 -4.144 1.00 0.00 C ATOM 831 C ARG A 53 -7.856 7.919 -2.871 1.00 0.00 C ATOM 832 O ARG A 53 -9.084 7.806 -2.903 1.00 0.00 O ATOM 833 CB ARG A 53 -6.833 7.051 -5.055 1.00 0.00 C ATOM 834 CG ARG A 53 -6.338 5.778 -4.346 1.00 0.00 C ATOM 835 CD ARG A 53 -6.122 4.608 -5.313 1.00 0.00 C ATOM 836 NE ARG A 53 -5.056 4.911 -6.285 1.00 0.00 N ATOM 837 CZ ARG A 53 -3.871 4.296 -6.355 1.00 0.00 C ATOM 838 NH1 ARG A 53 -3.622 3.246 -5.600 1.00 0.00 N ATOM 839 NH2 ARG A 53 -2.956 4.729 -7.203 1.00 0.00 N ATOM 0 H ARG A 53 -4.971 8.363 -3.812 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.653 8.991 -4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.769 6.820 -5.563 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.110 7.319 -5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.403 5.995 -3.830 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.062 5.486 -3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.861 3.711 -4.751 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.050 4.394 -5.842 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.238 5.653 -6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.335 2.899 -4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.716 2.780 -5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.154 5.530 -7.802 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.051 4.262 -7.259 1.00 0.00 H new ATOM 853 N ALA A 54 -7.139 7.762 -1.735 1.00 0.00 N ATOM 854 CA ALA A 54 -7.759 7.648 -0.393 1.00 0.00 C ATOM 855 C ALA A 54 -8.232 9.029 0.122 1.00 0.00 C ATOM 856 O ALA A 54 -8.724 9.153 1.248 1.00 0.00 O ATOM 857 CB ALA A 54 -6.781 7.011 0.600 1.00 0.00 C ATOM 0 H ALA A 54 -6.120 7.711 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.634 7.003 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.254 6.936 1.579 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.506 6.015 0.252 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.886 7.628 0.676 1.00 0.00 H new ATOM 863 N CYS A 55 -8.042 10.060 -0.714 1.00 0.00 N ATOM 864 CA CYS A 55 -8.551 11.410 -0.493 1.00 0.00 C ATOM 865 C CYS A 55 -9.400 11.849 -1.706 1.00 0.00 C ATOM 866 O CYS A 55 -9.673 13.033 -1.883 1.00 0.00 O ATOM 867 CB CYS A 55 -7.354 12.362 -0.290 1.00 0.00 C ATOM 868 SG CYS A 55 -7.825 14.048 0.103 1.00 0.00 S ATOM 0 H CYS A 55 -7.516 9.970 -1.583 1.00 0.00 H new ATOM 0 HA CYS A 55 -9.184 11.436 0.394 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.726 11.974 0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.748 12.366 -1.196 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.927 14.347 -0.519 1.00 0.00 H new ATOM 874 N ASP A 56 -9.827 10.876 -2.541 1.00 0.00 N ATOM 875 CA ASP A 56 -10.589 11.152 -3.785 1.00 0.00 C ATOM 876 C ASP A 56 -12.087 10.924 -3.576 1.00 0.00 C ATOM 877 O ASP A 56 -12.923 11.663 -4.116 1.00 0.00 O ATOM 878 CB ASP A 56 -10.065 10.267 -4.937 1.00 0.00 C ATOM 879 CG ASP A 56 -10.661 10.638 -6.303 1.00 0.00 C ATOM 880 OD1 ASP A 56 -10.302 11.707 -6.833 1.00 0.00 O ATOM 881 OD2 ASP A 56 -11.478 9.872 -6.849 1.00 0.00 O ATOM 0 H ASP A 56 -9.656 9.884 -2.376 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.443 12.199 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.979 10.351 -4.986 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.294 9.224 -4.719 1.00 0.00 H new ATOM 886 N TRP A 57 -12.410 9.891 -2.781 1.00 0.00 N ATOM 887 CA TRP A 57 -13.794 9.606 -2.350 1.00 0.00 C ATOM 888 C TRP A 57 -14.377 10.806 -1.570 1.00 0.00 C ATOM 889 O TRP A 57 -15.581 11.009 -1.555 1.00 0.00 O ATOM 890 CB TRP A 57 -13.849 8.309 -1.495 1.00 0.00 C ATOM 891 CG TRP A 57 -13.113 8.404 -0.167 1.00 0.00 C ATOM 892 CD1 TRP A 57 -11.763 8.342 0.031 1.00 0.00 C ATOM 893 CD2 TRP A 57 -13.688 8.600 1.140 1.00 0.00 C ATOM 894 NE1 TRP A 57 -11.475 8.493 1.362 1.00 0.00 N ATOM 895 CE2 TRP A 57 -12.632 8.639 2.063 1.00 0.00 C ATOM 896 CE3 TRP A 57 -14.991 8.744 1.616 1.00 0.00 C ATOM 897 CZ2 TRP A 57 -12.831 8.816 3.432 1.00 0.00 C ATOM 898 CZ3 TRP A 57 -15.194 8.924 2.973 1.00 0.00 C ATOM 899 CH2 TRP A 57 -14.118 8.955 3.868 1.00 0.00 C ATOM 0 H TRP A 57 -11.723 9.230 -2.418 1.00 0.00 H new ATOM 0 HA TRP A 57 -14.405 9.449 -3.239 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -14.892 8.059 -1.302 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -13.426 7.488 -2.074 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -11.029 8.195 -0.748 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -10.538 8.496 1.765 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -15.829 8.715 0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.000 8.842 4.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -16.200 9.043 3.348 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -14.309 9.091 4.922 1.00 0.00 H new ATOM 910 N THR A 58 -13.491 11.601 -0.941 1.00 0.00 N ATOM 911 CA THR A 58 -13.873 12.798 -0.182 1.00 0.00 C ATOM 912 C THR A 58 -14.118 14.005 -1.104 1.00 0.00 C ATOM 913 O THR A 58 -14.801 14.942 -0.711 1.00 0.00 O ATOM 914 CB THR A 58 -12.764 13.164 0.839 1.00 0.00 C ATOM 915 OG1 THR A 58 -11.535 13.430 0.151 1.00 0.00 O ATOM 916 CG2 THR A 58 -12.538 12.042 1.843 1.00 0.00 C ATOM 0 H THR A 58 -12.486 11.427 -0.948 1.00 0.00 H new ATOM 0 HA THR A 58 -14.801 12.565 0.339 1.00 0.00 H new ATOM 0 HB THR A 58 -13.092 14.052 1.379 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.788 13.049 0.657 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.755 12.332 2.543 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.461 11.852 2.390 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.236 11.137 1.316 1.00 0.00 H new ATOM 924 N GLN A 59 -13.517 13.988 -2.313 1.00 0.00 N ATOM 925 CA GLN A 59 -13.644 15.098 -3.285 1.00 0.00 C ATOM 926 C GLN A 59 -14.971 15.017 -4.039 1.00 0.00 C ATOM 927 O GLN A 59 -15.618 16.044 -4.273 1.00 0.00 O ATOM 928 CB GLN A 59 -12.459 15.101 -4.287 1.00 0.00 C ATOM 929 CG GLN A 59 -11.070 15.246 -3.640 1.00 0.00 C ATOM 930 CD GLN A 59 -10.972 16.390 -2.622 1.00 0.00 C ATOM 931 OE1 GLN A 59 -10.720 17.533 -2.984 1.00 0.00 O ATOM 932 NE2 GLN A 59 -11.127 16.077 -1.336 1.00 0.00 N ATOM 0 H GLN A 59 -12.937 13.216 -2.641 1.00 0.00 H new ATOM 0 HA GLN A 59 -13.622 16.031 -2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -12.483 14.174 -4.860 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -12.602 15.917 -4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.812 14.310 -3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.330 15.407 -4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.336 15.116 -1.067 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.036 16.799 -0.621 1.00 0.00 H new ATOM 941 N VAL A 60 -15.371 13.789 -4.401 1.00 0.00 N ATOM 942 CA VAL A 60 -16.616 13.542 -5.142 1.00 0.00 C ATOM 943 C VAL A 60 -17.851 13.894 -4.282 1.00 0.00 C ATOM 944 O VAL A 60 -17.787 13.869 -3.046 1.00 0.00 O ATOM 945 CB VAL A 60 -16.700 12.055 -5.645 1.00 0.00 C ATOM 946 CG1 VAL A 60 -15.480 11.690 -6.538 1.00 0.00 C ATOM 947 CG2 VAL A 60 -16.849 11.057 -4.469 1.00 0.00 C ATOM 0 H VAL A 60 -14.843 12.943 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 60 -16.610 14.192 -6.017 1.00 0.00 H new ATOM 0 HB VAL A 60 -17.599 11.974 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.568 10.655 -6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -15.455 12.348 -7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -14.561 11.810 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -16.904 10.041 -4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -15.989 11.145 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -17.760 11.282 -3.914 1.00 0.00 H new ATOM 957 N GLN A 61 -18.965 14.230 -4.950 1.00 0.00 N ATOM 958 CA GLN A 61 -20.235 14.593 -4.276 1.00 0.00 C ATOM 959 C GLN A 61 -21.075 13.338 -3.934 1.00 0.00 C ATOM 960 O GLN A 61 -22.114 13.447 -3.276 1.00 0.00 O ATOM 961 CB GLN A 61 -21.039 15.598 -5.149 1.00 0.00 C ATOM 962 CG GLN A 61 -21.426 15.096 -6.559 1.00 0.00 C ATOM 963 CD GLN A 61 -22.188 16.128 -7.395 1.00 0.00 C ATOM 964 OE1 GLN A 61 -22.003 17.339 -7.245 1.00 0.00 O ATOM 965 NE2 GLN A 61 -23.044 15.654 -8.283 1.00 0.00 N ATOM 0 H GLN A 61 -19.018 14.260 -5.968 1.00 0.00 H new ATOM 0 HA GLN A 61 -19.994 15.079 -3.331 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -21.951 15.867 -4.616 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.452 16.510 -5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.521 14.807 -7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.038 14.199 -6.460 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -23.172 14.647 -8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -23.577 16.295 -8.871 1.00 0.00 H new ATOM 974 N ASP A 62 -20.602 12.159 -4.393 1.00 0.00 N ATOM 975 CA ASP A 62 -21.213 10.846 -4.107 1.00 0.00 C ATOM 976 C ASP A 62 -21.239 10.563 -2.592 1.00 0.00 C ATOM 977 O ASP A 62 -22.249 10.089 -2.057 1.00 0.00 O ATOM 978 CB ASP A 62 -20.420 9.737 -4.851 1.00 0.00 C ATOM 979 CG ASP A 62 -20.922 8.309 -4.558 1.00 0.00 C ATOM 980 OD1 ASP A 62 -21.920 7.877 -5.169 1.00 0.00 O ATOM 981 OD2 ASP A 62 -20.326 7.614 -3.702 1.00 0.00 O ATOM 0 H ASP A 62 -19.772 12.094 -4.982 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.244 10.855 -4.459 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -20.478 9.919 -5.924 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -19.368 9.807 -4.573 1.00 0.00 H new ATOM 986 N VAL A 63 -20.122 10.876 -1.922 1.00 0.00 N ATOM 987 CA VAL A 63 -19.971 10.673 -0.472 1.00 0.00 C ATOM 988 C VAL A 63 -20.880 11.650 0.315 1.00 0.00 C ATOM 989 O VAL A 63 -21.269 12.704 -0.203 1.00 0.00 O ATOM 990 CB VAL A 63 -18.467 10.857 -0.034 1.00 0.00 C ATOM 991 CG1 VAL A 63 -18.000 12.336 -0.153 1.00 0.00 C ATOM 992 CG2 VAL A 63 -18.230 10.316 1.391 1.00 0.00 C ATOM 0 H VAL A 63 -19.297 11.277 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 63 -20.276 9.652 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 63 -17.861 10.271 -0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -16.959 12.415 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -18.095 12.665 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -18.619 12.966 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -17.184 10.457 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -18.865 10.854 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -18.473 9.254 1.422 1.00 0.00 H new ATOM 1002 N VAL A 64 -21.233 11.270 1.551 1.00 0.00 N ATOM 1003 CA VAL A 64 -21.963 12.129 2.493 1.00 0.00 C ATOM 1004 C VAL A 64 -20.960 12.692 3.525 1.00 0.00 C ATOM 1005 O VAL A 64 -20.696 12.075 4.561 1.00 0.00 O ATOM 1006 CB VAL A 64 -23.137 11.347 3.198 1.00 0.00 C ATOM 1007 CG1 VAL A 64 -23.950 12.270 4.148 1.00 0.00 C ATOM 1008 CG2 VAL A 64 -24.061 10.671 2.149 1.00 0.00 C ATOM 0 H VAL A 64 -21.017 10.347 1.929 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.425 12.953 1.948 1.00 0.00 H new ATOM 0 HB VAL A 64 -22.690 10.564 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -24.750 11.696 4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -23.291 12.669 4.919 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -24.380 13.093 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -24.863 10.138 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -24.489 11.432 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -23.480 9.967 1.552 1.00 0.00 H new ATOM 1018 N LEU A 65 -20.349 13.830 3.169 1.00 0.00 N ATOM 1019 CA LEU A 65 -19.423 14.600 4.032 1.00 0.00 C ATOM 1020 C LEU A 65 -19.770 16.093 3.893 1.00 0.00 C ATOM 1021 O LEU A 65 -20.378 16.503 2.903 1.00 0.00 O ATOM 1022 CB LEU A 65 -17.937 14.361 3.616 1.00 0.00 C ATOM 1023 CG LEU A 65 -17.348 12.938 3.843 1.00 0.00 C ATOM 1024 CD1 LEU A 65 -15.923 12.824 3.256 1.00 0.00 C ATOM 1025 CD2 LEU A 65 -17.364 12.568 5.338 1.00 0.00 C ATOM 0 H LEU A 65 -20.484 14.257 2.252 1.00 0.00 H new ATOM 0 HA LEU A 65 -19.534 14.273 5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -17.842 14.600 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -17.316 15.073 4.160 1.00 0.00 H new ATOM 0 HG LEU A 65 -17.981 12.225 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -15.537 11.819 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -15.954 13.021 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -15.271 13.551 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -16.948 11.569 5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -16.766 13.288 5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -18.390 12.585 5.706 1.00 0.00 H new ATOM 1037 N THR A 66 -19.357 16.904 4.874 1.00 0.00 N ATOM 1038 CA THR A 66 -19.578 18.364 4.853 1.00 0.00 C ATOM 1039 C THR A 66 -18.415 19.039 4.118 1.00 0.00 C ATOM 1040 O THR A 66 -17.333 18.446 4.005 1.00 0.00 O ATOM 1041 CB THR A 66 -19.711 18.942 6.296 1.00 0.00 C ATOM 1042 OG1 THR A 66 -18.453 18.835 6.986 1.00 0.00 O ATOM 1043 CG2 THR A 66 -20.803 18.204 7.103 1.00 0.00 C ATOM 0 H THR A 66 -18.862 16.574 5.703 1.00 0.00 H new ATOM 0 HA THR A 66 -20.513 18.566 4.331 1.00 0.00 H new ATOM 0 HB THR A 66 -19.998 19.990 6.209 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.544 19.201 7.890 1.00 0.00 H new ATOM 0 HG21 THR A 66 -20.868 18.632 8.103 1.00 0.00 H new ATOM 0 HG22 THR A 66 -21.763 18.312 6.599 1.00 0.00 H new ATOM 0 HG23 THR A 66 -20.549 17.147 7.177 1.00 0.00 H new ATOM 1051 N ALA A 67 -18.638 20.273 3.626 1.00 0.00 N ATOM 1052 CA ALA A 67 -17.612 21.040 2.885 1.00 0.00 C ATOM 1053 C ALA A 67 -16.303 21.161 3.700 1.00 0.00 C ATOM 1054 O ALA A 67 -15.216 20.993 3.153 1.00 0.00 O ATOM 1055 CB ALA A 67 -18.158 22.424 2.508 1.00 0.00 C ATOM 0 H ALA A 67 -19.526 20.765 3.728 1.00 0.00 H new ATOM 0 HA ALA A 67 -17.375 20.499 1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.395 22.980 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -19.041 22.308 1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -18.426 22.968 3.413 1.00 0.00 H new ATOM 1061 N ASP A 68 -16.455 21.427 5.015 1.00 0.00 N ATOM 1062 CA ASP A 68 -15.345 21.438 6.003 1.00 0.00 C ATOM 1063 C ASP A 68 -14.479 20.156 5.915 1.00 0.00 C ATOM 1064 O ASP A 68 -13.264 20.231 5.713 1.00 0.00 O ATOM 1065 CB ASP A 68 -15.933 21.585 7.435 1.00 0.00 C ATOM 1066 CG ASP A 68 -14.863 21.576 8.553 1.00 0.00 C ATOM 1067 OD1 ASP A 68 -14.337 22.657 8.899 1.00 0.00 O ATOM 1068 OD2 ASP A 68 -14.550 20.492 9.091 1.00 0.00 O ATOM 0 H ASP A 68 -17.362 21.643 5.429 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.697 22.285 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -16.497 22.516 7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -16.638 20.773 7.613 1.00 0.00 H new ATOM 1073 N GLN A 69 -15.152 18.999 6.050 1.00 0.00 N ATOM 1074 CA GLN A 69 -14.510 17.660 6.026 1.00 0.00 C ATOM 1075 C GLN A 69 -13.747 17.434 4.703 1.00 0.00 C ATOM 1076 O GLN A 69 -12.552 17.132 4.700 1.00 0.00 O ATOM 1077 CB GLN A 69 -15.583 16.555 6.231 1.00 0.00 C ATOM 1078 CG GLN A 69 -16.249 16.573 7.618 1.00 0.00 C ATOM 1079 CD GLN A 69 -17.351 15.523 7.756 1.00 0.00 C ATOM 1080 OE1 GLN A 69 -18.521 15.794 7.507 1.00 0.00 O ATOM 1081 NE2 GLN A 69 -16.986 14.308 8.116 1.00 0.00 N ATOM 0 H GLN A 69 -16.163 18.960 6.180 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.788 17.609 6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -16.354 16.667 5.469 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.120 15.581 6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -15.491 16.401 8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.670 17.562 7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.006 14.109 8.318 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.683 13.568 8.193 1.00 0.00 H new ATOM 1090 N LYS A 70 -14.455 17.680 3.596 1.00 0.00 N ATOM 1091 CA LYS A 70 -13.967 17.451 2.211 1.00 0.00 C ATOM 1092 C LYS A 70 -12.823 18.410 1.844 1.00 0.00 C ATOM 1093 O LYS A 70 -11.979 18.077 1.005 1.00 0.00 O ATOM 1094 CB LYS A 70 -15.143 17.604 1.212 1.00 0.00 C ATOM 1095 CG LYS A 70 -16.348 16.722 1.582 1.00 0.00 C ATOM 1096 CD LYS A 70 -17.635 16.966 0.742 1.00 0.00 C ATOM 1097 CE LYS A 70 -17.795 15.996 -0.453 1.00 0.00 C ATOM 1098 NZ LYS A 70 -16.962 16.372 -1.618 1.00 0.00 N ATOM 0 H LYS A 70 -15.404 18.052 3.627 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.571 16.437 2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.456 18.648 1.181 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.801 17.345 0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.058 15.677 1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.585 16.882 2.634 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.505 16.873 1.392 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.625 17.990 0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.530 14.988 -0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.842 15.970 -0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.331 15.908 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.989 17.404 -1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.981 16.068 -1.456 1.00 0.00 H new ATOM 1112 N ALA A 71 -12.801 19.589 2.492 1.00 0.00 N ATOM 1113 CA ALA A 71 -11.819 20.663 2.196 1.00 0.00 C ATOM 1114 C ALA A 71 -10.499 20.386 2.944 1.00 0.00 C ATOM 1115 O ALA A 71 -9.414 20.594 2.406 1.00 0.00 O ATOM 1116 CB ALA A 71 -12.381 22.039 2.591 1.00 0.00 C ATOM 0 H ALA A 71 -13.458 19.829 3.234 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.624 20.672 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -11.645 22.811 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.295 22.234 2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -12.602 22.049 3.658 1.00 0.00 H new ATOM 1122 N THR A 72 -10.645 19.983 4.216 1.00 0.00 N ATOM 1123 CA THR A 72 -9.539 19.468 5.052 1.00 0.00 C ATOM 1124 C THR A 72 -8.765 18.351 4.307 1.00 0.00 C ATOM 1125 O THR A 72 -7.526 18.350 4.265 1.00 0.00 O ATOM 1126 CB THR A 72 -10.079 18.949 6.427 1.00 0.00 C ATOM 1127 OG1 THR A 72 -10.872 19.977 7.049 1.00 0.00 O ATOM 1128 CG2 THR A 72 -8.943 18.555 7.383 1.00 0.00 C ATOM 0 H THR A 72 -11.542 20.004 4.702 1.00 0.00 H new ATOM 0 HA THR A 72 -8.848 20.288 5.247 1.00 0.00 H new ATOM 0 HB THR A 72 -10.679 18.061 6.229 1.00 0.00 H new ATOM 0 HG1 THR A 72 -11.764 19.992 6.644 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.365 18.201 8.324 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.346 17.762 6.932 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.310 19.422 7.573 1.00 0.00 H new ATOM 1136 N TRP A 73 -9.521 17.438 3.681 1.00 0.00 N ATOM 1137 CA TRP A 73 -8.966 16.402 2.791 1.00 0.00 C ATOM 1138 C TRP A 73 -8.368 17.025 1.505 1.00 0.00 C ATOM 1139 O TRP A 73 -7.281 16.634 1.079 1.00 0.00 O ATOM 1140 CB TRP A 73 -10.050 15.356 2.434 1.00 0.00 C ATOM 1141 CG TRP A 73 -10.323 14.327 3.512 1.00 0.00 C ATOM 1142 CD1 TRP A 73 -11.347 14.306 4.428 1.00 0.00 C ATOM 1143 CD2 TRP A 73 -9.560 13.126 3.749 1.00 0.00 C ATOM 1144 NE1 TRP A 73 -11.264 13.172 5.197 1.00 0.00 N ATOM 1145 CE2 TRP A 73 -10.177 12.437 4.803 1.00 0.00 C ATOM 1146 CE3 TRP A 73 -8.418 12.570 3.165 1.00 0.00 C ATOM 1147 CZ2 TRP A 73 -9.692 11.221 5.279 1.00 0.00 C ATOM 1148 CZ3 TRP A 73 -7.936 11.367 3.643 1.00 0.00 C ATOM 1149 CH2 TRP A 73 -8.576 10.702 4.688 1.00 0.00 C ATOM 0 H TRP A 73 -10.536 17.395 3.776 1.00 0.00 H new ATOM 0 HA TRP A 73 -8.159 15.900 3.325 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.979 15.880 2.208 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.748 14.837 1.525 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.105 15.069 4.528 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.910 12.917 5.944 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -7.919 13.074 2.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -10.184 10.705 6.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -7.050 10.935 3.201 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -8.182 9.759 5.036 1.00 0.00 H new ATOM 1160 N ALA A 74 -9.075 18.010 0.917 1.00 0.00 N ATOM 1161 CA ALA A 74 -8.661 18.674 -0.349 1.00 0.00 C ATOM 1162 C ALA A 74 -7.308 19.386 -0.213 1.00 0.00 C ATOM 1163 O ALA A 74 -6.512 19.414 -1.155 1.00 0.00 O ATOM 1164 CB ALA A 74 -9.735 19.671 -0.806 1.00 0.00 C ATOM 0 H ALA A 74 -9.948 18.372 1.300 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.548 17.892 -1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.417 20.148 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.674 19.143 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.877 20.430 -0.037 1.00 0.00 H new ATOM 1170 N LYS A 75 -7.044 19.931 0.978 1.00 0.00 N ATOM 1171 CA LYS A 75 -5.805 20.661 1.263 1.00 0.00 C ATOM 1172 C LYS A 75 -4.703 19.695 1.701 1.00 0.00 C ATOM 1173 O LYS A 75 -3.536 20.035 1.636 1.00 0.00 O ATOM 1174 CB LYS A 75 -6.053 21.748 2.336 1.00 0.00 C ATOM 1175 CG LYS A 75 -7.036 22.843 1.872 1.00 0.00 C ATOM 1176 CD LYS A 75 -7.234 23.973 2.907 1.00 0.00 C ATOM 1177 CE LYS A 75 -8.210 25.058 2.407 1.00 0.00 C ATOM 1178 NZ LYS A 75 -8.283 26.208 3.339 1.00 0.00 N ATOM 0 H LYS A 75 -7.683 19.879 1.772 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.474 21.157 0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.443 21.277 3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.103 22.210 2.603 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.672 23.275 0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.002 22.386 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.611 23.549 3.838 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.270 24.430 3.132 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.893 25.407 1.424 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.203 24.625 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.949 26.915 2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.610 25.880 4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.341 26.637 3.435 1.00 0.00 H new ATOM 1192 N TYR A 76 -5.103 18.496 2.163 1.00 0.00 N ATOM 1193 CA TYR A 76 -4.183 17.405 2.510 1.00 0.00 C ATOM 1194 C TYR A 76 -3.506 16.852 1.235 1.00 0.00 C ATOM 1195 O TYR A 76 -2.271 16.768 1.164 1.00 0.00 O ATOM 1196 CB TYR A 76 -4.975 16.302 3.292 1.00 0.00 C ATOM 1197 CG TYR A 76 -4.379 14.889 3.236 1.00 0.00 C ATOM 1198 CD1 TYR A 76 -3.189 14.578 3.890 1.00 0.00 C ATOM 1199 CD2 TYR A 76 -5.008 13.869 2.501 1.00 0.00 C ATOM 1200 CE1 TYR A 76 -2.658 13.309 3.817 1.00 0.00 C ATOM 1201 CE2 TYR A 76 -4.477 12.606 2.436 1.00 0.00 C ATOM 1202 CZ TYR A 76 -3.304 12.332 3.091 1.00 0.00 C ATOM 1203 OH TYR A 76 -2.793 11.067 3.051 1.00 0.00 O ATOM 0 H TYR A 76 -6.085 18.258 2.306 1.00 0.00 H new ATOM 0 HA TYR A 76 -3.385 17.771 3.156 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.048 16.605 4.337 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.991 16.264 2.900 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.678 15.339 4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.928 14.084 1.977 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.735 13.080 4.329 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.979 11.833 1.873 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.473 10.430 3.355 1.00 0.00 H new ATOM 1213 N ARG A 77 -4.331 16.504 0.236 1.00 0.00 N ATOM 1214 CA ARG A 77 -3.853 15.891 -1.023 1.00 0.00 C ATOM 1215 C ARG A 77 -3.050 16.895 -1.867 1.00 0.00 C ATOM 1216 O ARG A 77 -2.028 16.536 -2.466 1.00 0.00 O ATOM 1217 CB ARG A 77 -5.037 15.293 -1.842 1.00 0.00 C ATOM 1218 CG ARG A 77 -6.210 16.263 -2.135 1.00 0.00 C ATOM 1219 CD ARG A 77 -7.347 15.615 -2.943 1.00 0.00 C ATOM 1220 NE ARG A 77 -6.922 15.237 -4.307 1.00 0.00 N ATOM 1221 CZ ARG A 77 -7.428 14.243 -5.043 1.00 0.00 C ATOM 1222 NH1 ARG A 77 -8.338 13.415 -4.555 1.00 0.00 N ATOM 1223 NH2 ARG A 77 -6.996 14.074 -6.277 1.00 0.00 N ATOM 0 H ARG A 77 -5.342 16.636 0.272 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.183 15.074 -0.756 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.648 14.925 -2.792 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.429 14.431 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.610 16.634 -1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.831 17.126 -2.682 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.704 14.729 -2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.186 16.308 -3.005 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.172 15.787 -4.726 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.669 13.528 -3.597 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.709 12.664 -5.137 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.285 14.698 -6.658 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.373 13.320 -6.851 1.00 0.00 H new ATOM 1237 N GLN A 78 -3.530 18.153 -1.914 1.00 0.00 N ATOM 1238 CA GLN A 78 -2.860 19.244 -2.640 1.00 0.00 C ATOM 1239 C GLN A 78 -1.495 19.571 -2.012 1.00 0.00 C ATOM 1240 O GLN A 78 -0.494 19.630 -2.717 1.00 0.00 O ATOM 1241 CB GLN A 78 -3.774 20.502 -2.669 1.00 0.00 C ATOM 1242 CG GLN A 78 -3.330 21.615 -3.645 1.00 0.00 C ATOM 1243 CD GLN A 78 -3.272 21.194 -5.126 1.00 0.00 C ATOM 1244 OE1 GLN A 78 -2.482 21.727 -5.900 1.00 0.00 O ATOM 1245 NE2 GLN A 78 -4.100 20.237 -5.534 1.00 0.00 N ATOM 0 H GLN A 78 -4.392 18.439 -1.450 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.680 18.919 -3.665 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.785 20.191 -2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.822 20.920 -1.664 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.015 22.457 -3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.344 21.970 -3.344 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.748 19.808 -4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.087 19.932 -6.507 1.00 0.00 H new ATOM 1254 N ALA A 79 -1.464 19.716 -0.674 1.00 0.00 N ATOM 1255 CA ALA A 79 -0.224 20.040 0.070 1.00 0.00 C ATOM 1256 C ALA A 79 0.838 18.947 -0.096 1.00 0.00 C ATOM 1257 O ALA A 79 2.040 19.219 -0.019 1.00 0.00 O ATOM 1258 CB ALA A 79 -0.521 20.268 1.549 1.00 0.00 C ATOM 0 H ALA A 79 -2.287 19.614 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 79 0.175 20.962 -0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.405 20.504 2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.221 21.097 1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.960 19.366 1.975 1.00 0.00 H new ATOM 1264 N LEU A 80 0.378 17.712 -0.348 1.00 0.00 N ATOM 1265 CA LEU A 80 1.252 16.574 -0.601 1.00 0.00 C ATOM 1266 C LEU A 80 1.913 16.738 -1.980 1.00 0.00 C ATOM 1267 O LEU A 80 3.098 16.487 -2.130 1.00 0.00 O ATOM 1268 CB LEU A 80 0.418 15.270 -0.492 1.00 0.00 C ATOM 1269 CG LEU A 80 1.184 13.908 -0.654 1.00 0.00 C ATOM 1270 CD1 LEU A 80 0.470 12.789 0.115 1.00 0.00 C ATOM 1271 CD2 LEU A 80 1.367 13.495 -2.141 1.00 0.00 C ATOM 0 H LEU A 80 -0.615 17.482 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 80 2.052 16.520 0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.075 15.266 0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.367 15.307 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 80 2.178 14.061 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.017 11.855 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.427 13.045 1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.543 12.671 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.902 12.547 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.390 13.386 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.937 14.262 -2.664 1.00 0.00 H new ATOM 1283 N ARG A 81 1.127 17.160 -2.985 1.00 0.00 N ATOM 1284 CA ARG A 81 1.647 17.457 -4.343 1.00 0.00 C ATOM 1285 C ARG A 81 2.689 18.597 -4.291 1.00 0.00 C ATOM 1286 O ARG A 81 3.696 18.566 -5.005 1.00 0.00 O ATOM 1287 CB ARG A 81 0.496 17.859 -5.287 1.00 0.00 C ATOM 1288 CG ARG A 81 -0.527 16.754 -5.585 1.00 0.00 C ATOM 1289 CD ARG A 81 -1.690 17.266 -6.452 1.00 0.00 C ATOM 1290 NE ARG A 81 -1.228 17.950 -7.688 1.00 0.00 N ATOM 1291 CZ ARG A 81 -1.758 17.805 -8.913 1.00 0.00 C ATOM 1292 NH1 ARG A 81 -2.719 16.925 -9.145 1.00 0.00 N ATOM 1293 NH2 ARG A 81 -1.293 18.523 -9.917 1.00 0.00 N ATOM 0 H ARG A 81 0.122 17.306 -2.887 1.00 0.00 H new ATOM 0 HA ARG A 81 2.125 16.554 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.029 18.709 -4.851 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.924 18.199 -6.230 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.031 15.928 -6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.919 16.360 -4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.331 16.428 -6.724 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.298 17.955 -5.866 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.437 18.587 -7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.070 16.341 -8.386 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.108 16.830 -10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.533 19.186 -9.761 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.693 18.416 -10.849 1.00 0.00 H new ATOM 1307 N ASP A 82 2.433 19.575 -3.397 1.00 0.00 N ATOM 1308 CA ASP A 82 3.274 20.776 -3.216 1.00 0.00 C ATOM 1309 C ASP A 82 4.432 20.539 -2.221 1.00 0.00 C ATOM 1310 O ASP A 82 5.056 21.517 -1.778 1.00 0.00 O ATOM 1311 CB ASP A 82 2.394 21.970 -2.740 1.00 0.00 C ATOM 1312 CG ASP A 82 1.393 22.435 -3.812 1.00 0.00 C ATOM 1313 OD1 ASP A 82 1.816 23.050 -4.811 1.00 0.00 O ATOM 1314 OD2 ASP A 82 0.180 22.193 -3.665 1.00 0.00 O ATOM 0 H ASP A 82 1.626 19.552 -2.773 1.00 0.00 H new ATOM 0 HA ASP A 82 3.723 21.009 -4.181 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.849 21.679 -1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.039 22.804 -2.465 1.00 0.00 H new ATOM 1319 N LEU A 83 4.736 19.254 -1.880 1.00 0.00 N ATOM 1320 CA LEU A 83 5.840 18.930 -0.940 1.00 0.00 C ATOM 1321 C LEU A 83 7.199 19.425 -1.514 1.00 0.00 C ATOM 1322 O LEU A 83 7.404 19.371 -2.733 1.00 0.00 O ATOM 1323 CB LEU A 83 5.876 17.402 -0.541 1.00 0.00 C ATOM 1324 CG LEU A 83 6.157 16.293 -1.638 1.00 0.00 C ATOM 1325 CD1 LEU A 83 7.644 16.178 -2.047 1.00 0.00 C ATOM 1326 CD2 LEU A 83 5.630 14.912 -1.170 1.00 0.00 C ATOM 0 H LEU A 83 4.238 18.439 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 83 5.650 19.465 -0.010 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.635 17.289 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.916 17.166 -0.083 1.00 0.00 H new ATOM 0 HG LEU A 83 5.616 16.616 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.755 15.398 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.983 17.129 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.243 15.925 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.833 14.166 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.130 14.626 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.555 14.972 -0.998 1.00 0.00 H new ATOM 1338 N PRO A 84 8.124 19.965 -0.658 1.00 0.00 N ATOM 1339 CA PRO A 84 9.472 20.408 -1.098 1.00 0.00 C ATOM 1340 C PRO A 84 10.351 19.244 -1.609 1.00 0.00 C ATOM 1341 O PRO A 84 10.098 18.080 -1.301 1.00 0.00 O ATOM 1342 CB PRO A 84 10.090 21.055 0.182 1.00 0.00 C ATOM 1343 CG PRO A 84 8.918 21.320 1.080 1.00 0.00 C ATOM 1344 CD PRO A 84 7.919 20.226 0.784 1.00 0.00 C ATOM 0 HA PRO A 84 9.411 21.094 -1.943 1.00 0.00 H new ATOM 0 HB2 PRO A 84 10.809 20.386 0.656 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.622 21.976 -0.057 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.217 21.304 2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.490 22.304 0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.106 19.336 1.385 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.898 20.545 0.995 1.00 0.00 H new ATOM 1352 N GLU A 85 11.376 19.576 -2.391 1.00 0.00 N ATOM 1353 CA GLU A 85 12.387 18.603 -2.850 1.00 0.00 C ATOM 1354 C GLU A 85 13.675 18.726 -2.002 1.00 0.00 C ATOM 1355 O GLU A 85 14.698 18.105 -2.315 1.00 0.00 O ATOM 1356 CB GLU A 85 12.694 18.845 -4.348 1.00 0.00 C ATOM 1357 CG GLU A 85 11.471 18.757 -5.285 1.00 0.00 C ATOM 1358 CD GLU A 85 10.743 17.400 -5.243 1.00 0.00 C ATOM 1359 OE1 GLU A 85 11.333 16.388 -5.676 1.00 0.00 O ATOM 1360 OE2 GLU A 85 9.573 17.333 -4.807 1.00 0.00 O ATOM 0 H GLU A 85 11.536 20.525 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 85 11.996 17.593 -2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.146 19.831 -4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.436 18.116 -4.674 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.765 19.544 -5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.795 18.952 -6.307 1.00 0.00 H new ATOM 1367 N THR A 86 13.598 19.536 -0.929 1.00 0.00 N ATOM 1368 CA THR A 86 14.731 19.838 -0.047 1.00 0.00 C ATOM 1369 C THR A 86 15.105 18.605 0.813 1.00 0.00 C ATOM 1370 O THR A 86 14.538 18.399 1.894 1.00 0.00 O ATOM 1371 CB THR A 86 14.401 21.080 0.860 1.00 0.00 C ATOM 1372 OG1 THR A 86 13.180 20.848 1.597 1.00 0.00 O ATOM 1373 CG2 THR A 86 14.243 22.378 0.038 1.00 0.00 C ATOM 0 H THR A 86 12.735 20.003 -0.651 1.00 0.00 H new ATOM 0 HA THR A 86 15.594 20.085 -0.665 1.00 0.00 H new ATOM 0 HB THR A 86 15.242 21.205 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.209 19.958 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.016 23.207 0.708 1.00 0.00 H new ATOM 0 HG22 THR A 86 15.170 22.586 -0.496 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.431 22.258 -0.679 1.00 0.00 H new ATOM 1381 N VAL A 87 16.040 17.774 0.281 1.00 0.00 N ATOM 1382 CA VAL A 87 16.521 16.539 0.932 1.00 0.00 C ATOM 1383 C VAL A 87 15.341 15.547 1.145 1.00 0.00 C ATOM 1384 O VAL A 87 14.837 15.349 2.262 1.00 0.00 O ATOM 1385 CB VAL A 87 17.336 16.844 2.263 1.00 0.00 C ATOM 1386 CG1 VAL A 87 17.874 15.554 2.939 1.00 0.00 C ATOM 1387 CG2 VAL A 87 18.496 17.849 1.989 1.00 0.00 C ATOM 0 H VAL A 87 16.482 17.950 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 87 17.234 16.052 0.267 1.00 0.00 H new ATOM 0 HB VAL A 87 16.636 17.302 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 87 18.423 15.819 3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 87 17.039 14.904 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 87 18.539 15.033 2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.038 18.041 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 87 19.177 17.426 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 87 18.085 18.784 1.609 1.00 0.00 H new ATOM 1397 N THR A 88 14.843 15.021 0.011 1.00 0.00 N ATOM 1398 CA THR A 88 13.788 13.999 -0.035 1.00 0.00 C ATOM 1399 C THR A 88 14.004 13.123 -1.287 1.00 0.00 C ATOM 1400 O THR A 88 13.664 13.522 -2.407 1.00 0.00 O ATOM 1401 CB THR A 88 12.351 14.645 -0.058 1.00 0.00 C ATOM 1402 OG1 THR A 88 12.178 15.518 1.077 1.00 0.00 O ATOM 1403 CG2 THR A 88 11.238 13.574 -0.047 1.00 0.00 C ATOM 0 H THR A 88 15.170 15.301 -0.914 1.00 0.00 H new ATOM 0 HA THR A 88 13.849 13.389 0.866 1.00 0.00 H new ATOM 0 HB THR A 88 12.269 15.215 -0.983 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.282 15.915 1.051 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.263 14.062 -0.063 1.00 0.00 H new ATOM 0 HG22 THR A 88 11.339 12.935 -0.924 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.325 12.968 0.855 1.00 0.00 H new ATOM 1411 N ASP A 89 14.633 11.958 -1.092 1.00 0.00 N ATOM 1412 CA ASP A 89 14.916 10.994 -2.179 1.00 0.00 C ATOM 1413 C ASP A 89 13.889 9.838 -2.144 1.00 0.00 C ATOM 1414 O ASP A 89 12.869 9.930 -1.448 1.00 0.00 O ATOM 1415 CB ASP A 89 16.375 10.469 -2.050 1.00 0.00 C ATOM 1416 CG ASP A 89 16.614 9.598 -0.800 1.00 0.00 C ATOM 1417 OD1 ASP A 89 16.678 10.158 0.310 1.00 0.00 O ATOM 1418 OD2 ASP A 89 16.750 8.357 -0.925 1.00 0.00 O ATOM 0 H ASP A 89 14.963 11.650 -0.177 1.00 0.00 H new ATOM 0 HA ASP A 89 14.821 11.492 -3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 89 16.622 9.888 -2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 89 17.056 11.319 -2.025 1.00 0.00 H new ATOM 1423 N LEU A 90 14.185 8.751 -2.891 1.00 0.00 N ATOM 1424 CA LEU A 90 13.288 7.586 -3.051 1.00 0.00 C ATOM 1425 C LEU A 90 12.992 6.883 -1.713 1.00 0.00 C ATOM 1426 O LEU A 90 11.914 6.308 -1.531 1.00 0.00 O ATOM 1427 CB LEU A 90 13.930 6.592 -4.047 1.00 0.00 C ATOM 1428 CG LEU A 90 14.267 7.184 -5.453 1.00 0.00 C ATOM 1429 CD1 LEU A 90 15.006 6.169 -6.340 1.00 0.00 C ATOM 1430 CD2 LEU A 90 12.994 7.711 -6.137 1.00 0.00 C ATOM 0 H LEU A 90 15.062 8.658 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 90 12.333 7.945 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.847 6.201 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 90 13.254 5.747 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 90 14.946 8.024 -5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 90 15.221 6.621 -7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 90 15.940 5.878 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 90 14.381 5.287 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.249 8.119 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.282 6.895 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 90 12.548 8.493 -5.522 1.00 0.00 H new ATOM 1442 N SER A 91 13.963 6.934 -0.790 1.00 0.00 N ATOM 1443 CA SER A 91 13.824 6.380 0.563 1.00 0.00 C ATOM 1444 C SER A 91 13.690 7.536 1.576 1.00 0.00 C ATOM 1445 O SER A 91 14.203 8.637 1.331 1.00 0.00 O ATOM 1446 CB SER A 91 15.043 5.488 0.890 1.00 0.00 C ATOM 1447 OG SER A 91 14.911 4.857 2.154 1.00 0.00 O ATOM 0 H SER A 91 14.872 7.363 -0.963 1.00 0.00 H new ATOM 0 HA SER A 91 12.928 5.762 0.623 1.00 0.00 H new ATOM 0 HB2 SER A 91 15.156 4.730 0.115 1.00 0.00 H new ATOM 0 HB3 SER A 91 15.950 6.093 0.879 1.00 0.00 H new ATOM 0 HG SER A 91 15.699 4.300 2.326 1.00 0.00 H new ATOM 1453 N GLN A 92 13.010 7.248 2.711 1.00 0.00 N ATOM 1454 CA GLN A 92 12.677 8.225 3.770 1.00 0.00 C ATOM 1455 C GLN A 92 11.810 9.365 3.188 1.00 0.00 C ATOM 1456 O GLN A 92 12.310 10.432 2.809 1.00 0.00 O ATOM 1457 CB GLN A 92 13.960 8.751 4.500 1.00 0.00 C ATOM 1458 CG GLN A 92 13.704 9.648 5.738 1.00 0.00 C ATOM 1459 CD GLN A 92 12.954 8.926 6.868 1.00 0.00 C ATOM 1460 OE1 GLN A 92 11.729 8.948 6.924 1.00 0.00 O ATOM 1461 NE2 GLN A 92 13.686 8.277 7.767 1.00 0.00 N ATOM 0 H GLN A 92 12.671 6.309 2.919 1.00 0.00 H new ATOM 0 HA GLN A 92 12.087 7.721 4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.557 7.894 4.812 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.559 9.313 3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.659 10.010 6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.130 10.523 5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.703 8.278 7.693 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.231 7.778 8.531 1.00 0.00 H new ATOM 1470 N ILE A 93 10.504 9.081 3.072 1.00 0.00 N ATOM 1471 CA ILE A 93 9.514 9.993 2.467 1.00 0.00 C ATOM 1472 C ILE A 93 8.961 11.000 3.495 1.00 0.00 C ATOM 1473 O ILE A 93 9.029 10.769 4.705 1.00 0.00 O ATOM 1474 CB ILE A 93 8.351 9.174 1.747 1.00 0.00 C ATOM 1475 CG1 ILE A 93 7.811 7.964 2.609 1.00 0.00 C ATOM 1476 CG2 ILE A 93 8.837 8.690 0.367 1.00 0.00 C ATOM 1477 CD1 ILE A 93 6.968 8.319 3.826 1.00 0.00 C ATOM 0 H ILE A 93 10.099 8.204 3.398 1.00 0.00 H new ATOM 0 HA ILE A 93 10.025 10.578 1.702 1.00 0.00 H new ATOM 0 HB ILE A 93 7.507 9.853 1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 93 7.218 7.320 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 93 8.665 7.377 2.946 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.041 8.130 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.107 9.550 -0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.708 8.047 0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.658 7.405 4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 93 7.556 8.932 4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.086 8.874 3.508 1.00 0.00 H new ATOM 1489 N VAL A 94 8.451 12.132 2.994 1.00 0.00 N ATOM 1490 CA VAL A 94 7.859 13.183 3.833 1.00 0.00 C ATOM 1491 C VAL A 94 6.614 13.778 3.139 1.00 0.00 C ATOM 1492 O VAL A 94 6.709 14.382 2.066 1.00 0.00 O ATOM 1493 CB VAL A 94 8.916 14.275 4.239 1.00 0.00 C ATOM 1494 CG1 VAL A 94 9.596 14.919 3.008 1.00 0.00 C ATOM 1495 CG2 VAL A 94 8.289 15.339 5.168 1.00 0.00 C ATOM 0 H VAL A 94 8.437 12.346 1.997 1.00 0.00 H new ATOM 0 HA VAL A 94 7.529 12.735 4.770 1.00 0.00 H new ATOM 0 HB VAL A 94 9.703 13.768 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.317 15.666 3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.110 14.149 2.432 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.841 15.396 2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.043 16.081 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.462 15.829 4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.919 14.859 6.074 1.00 0.00 H new ATOM 1505 N TRP A 95 5.443 13.531 3.729 1.00 0.00 N ATOM 1506 CA TRP A 95 4.158 14.125 3.315 1.00 0.00 C ATOM 1507 C TRP A 95 3.283 14.357 4.562 1.00 0.00 C ATOM 1508 O TRP A 95 3.594 13.798 5.622 1.00 0.00 O ATOM 1509 CB TRP A 95 3.440 13.269 2.229 1.00 0.00 C ATOM 1510 CG TRP A 95 3.571 11.773 2.346 1.00 0.00 C ATOM 1511 CD1 TRP A 95 3.172 10.964 3.373 1.00 0.00 C ATOM 1512 CD2 TRP A 95 4.129 10.914 1.352 1.00 0.00 C ATOM 1513 NE1 TRP A 95 3.465 9.656 3.073 1.00 0.00 N ATOM 1514 CE2 TRP A 95 4.055 9.605 1.840 1.00 0.00 C ATOM 1515 CE3 TRP A 95 4.695 11.140 0.094 1.00 0.00 C ATOM 1516 CZ2 TRP A 95 4.520 8.523 1.111 1.00 0.00 C ATOM 1517 CZ3 TRP A 95 5.153 10.064 -0.627 1.00 0.00 C ATOM 1518 CH2 TRP A 95 5.069 8.767 -0.115 1.00 0.00 C ATOM 0 H TRP A 95 5.353 12.900 4.525 1.00 0.00 H new ATOM 0 HA TRP A 95 4.347 15.089 2.843 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.379 13.519 2.246 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.823 13.568 1.253 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.698 11.302 4.283 1.00 0.00 H new ATOM 0 HE1 TRP A 95 3.274 8.853 3.672 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.771 12.141 -0.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.450 7.518 1.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 5.584 10.223 -1.604 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.446 7.941 -0.700 1.00 0.00 H new ATOM 1529 N PRO A 96 2.195 15.192 4.487 1.00 0.00 N ATOM 1530 CA PRO A 96 1.228 15.319 5.605 1.00 0.00 C ATOM 1531 C PRO A 96 0.486 13.987 5.889 1.00 0.00 C ATOM 1532 O PRO A 96 0.255 13.181 4.974 1.00 0.00 O ATOM 1533 CB PRO A 96 0.256 16.439 5.122 1.00 0.00 C ATOM 1534 CG PRO A 96 0.381 16.426 3.623 1.00 0.00 C ATOM 1535 CD PRO A 96 1.838 16.105 3.356 1.00 0.00 C ATOM 0 HA PRO A 96 1.712 15.562 6.551 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.768 16.238 5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.532 17.409 5.535 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -0.276 15.679 3.178 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.104 17.389 3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.974 15.621 2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.455 17.004 3.353 1.00 0.00 H new ATOM 1543 N GLN A 97 0.168 13.745 7.169 1.00 0.00 N ATOM 1544 CA GLN A 97 -0.681 12.619 7.598 1.00 0.00 C ATOM 1545 C GLN A 97 -2.155 13.046 7.494 1.00 0.00 C ATOM 1546 O GLN A 97 -2.481 14.188 7.837 1.00 0.00 O ATOM 1547 CB GLN A 97 -0.320 12.206 9.053 1.00 0.00 C ATOM 1548 CG GLN A 97 -1.138 11.027 9.614 1.00 0.00 C ATOM 1549 CD GLN A 97 -0.769 10.658 11.051 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -1.352 11.176 12.000 1.00 0.00 O ATOM 1551 NE2 GLN A 97 0.205 9.772 11.212 1.00 0.00 N ATOM 0 H GLN A 97 0.493 14.327 7.941 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.514 11.755 6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.738 11.945 9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.459 13.068 9.705 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.198 11.278 9.572 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.991 10.156 8.975 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.664 9.365 10.397 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.495 9.498 12.151 1.00 0.00 H new ATOM 1560 N LEU A 98 -3.037 12.155 6.988 1.00 0.00 N ATOM 1561 CA LEU A 98 -4.478 12.449 6.811 1.00 0.00 C ATOM 1562 C LEU A 98 -5.196 12.830 8.130 1.00 0.00 C ATOM 1563 O LEU A 98 -4.770 12.405 9.213 1.00 0.00 O ATOM 1564 CB LEU A 98 -5.188 11.253 6.069 1.00 0.00 C ATOM 1565 CG LEU A 98 -4.757 9.788 6.433 1.00 0.00 C ATOM 1566 CD1 LEU A 98 -5.052 9.417 7.901 1.00 0.00 C ATOM 1567 CD2 LEU A 98 -5.414 8.776 5.466 1.00 0.00 C ATOM 0 H LEU A 98 -2.772 11.216 6.692 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.552 13.339 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.259 11.339 6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.034 11.388 4.998 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.674 9.742 6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.731 8.392 8.089 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.512 10.094 8.563 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.122 9.502 8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.105 7.765 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.499 8.855 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.102 8.994 4.445 1.00 0.00 H new ATOM 1579 N PRO A 99 -6.286 13.674 8.061 1.00 0.00 N ATOM 1580 CA PRO A 99 -7.068 14.081 9.263 1.00 0.00 C ATOM 1581 C PRO A 99 -7.806 12.896 9.934 1.00 0.00 C ATOM 1582 O PRO A 99 -7.890 12.816 11.164 1.00 0.00 O ATOM 1583 CB PRO A 99 -8.067 15.136 8.698 1.00 0.00 C ATOM 1584 CG PRO A 99 -8.191 14.799 7.236 1.00 0.00 C ATOM 1585 CD PRO A 99 -6.816 14.325 6.820 1.00 0.00 C ATOM 0 HA PRO A 99 -6.429 14.470 10.056 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.032 15.077 9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -7.695 16.150 8.841 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.941 14.025 7.073 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.500 15.669 6.656 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.867 13.623 5.988 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.185 15.154 6.499 1.00 0.00 H new ATOM 1593 N VAL A 100 -8.319 11.971 9.103 1.00 0.00 N ATOM 1594 CA VAL A 100 -9.151 10.839 9.544 1.00 0.00 C ATOM 1595 C VAL A 100 -8.355 9.521 9.373 1.00 0.00 C ATOM 1596 O VAL A 100 -8.328 8.961 8.258 1.00 0.00 O ATOM 1597 CB VAL A 100 -10.504 10.790 8.728 1.00 0.00 C ATOM 1598 CG1 VAL A 100 -11.461 9.698 9.268 1.00 0.00 C ATOM 1599 CG2 VAL A 100 -11.198 12.181 8.695 1.00 0.00 C ATOM 1600 OXT VAL A 100 -7.727 9.071 10.347 1.00 0.00 O ATOM 0 H VAL A 100 -8.165 11.990 8.095 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.404 10.967 10.596 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.251 10.522 7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -12.379 9.696 8.681 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.980 8.723 9.192 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.698 9.906 10.312 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.125 12.112 8.126 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.420 12.501 9.713 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.536 12.907 8.223 1.00 0.00 H new TER 1610 VAL A 100