USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 534 hydrogens (3 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 67 HIS : no HD1:sc= -2.55 K(o=-1.8,f=0.35) USER MOD Set 1.2: A 69 THR OG1 : rot 16:sc= 0.781 USER MOD Single : A 1 SER OG : rot 43:sc= 0.441 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -4.46 K(o=-4.5,f=-12!) USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= -0.519 (180deg=-1.1) USER MOD Single : A 17 SER OG : rot 180:sc= -0.132 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl -166:sc= -0.0666 (180deg=-0.558) USER MOD Single : A 24 THR OG1 : rot 94:sc= 1.09 USER MOD Single : A 29 ASN : amide:sc= -5.15! C(o=-5.1!,f=-17!) USER MOD Single : A 31 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.9!) USER MOD Single : A 33 HIS : no HD1:sc= -3.04! K(o=-3!,f=-1.7) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 58:sc= -0.0351! USER MOD Single : A 43 MET CE :methyl -176:sc= 0 (180deg=-0.0332) USER MOD Single : A 44 THR OG1 : rot -150:sc= -0.616 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -1.35 K(o=-1.3,f=-17!) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 19.217 6.938 -6.319 1.00 0.00 C HETATM 2 O ACE A 0 18.858 6.063 -7.106 1.00 0.00 O HETATM 3 CH3 ACE A 0 20.190 8.016 -6.740 1.00 0.00 C HETATM 0 H1 ACE A 0 19.720 8.993 -6.631 1.00 0.00 H new HETATM 0 H2 ACE A 0 21.079 7.969 -6.112 1.00 0.00 H new HETATM 0 H3 ACE A 0 20.473 7.864 -7.782 1.00 0.00 H new ATOM 7 N SER A 1 18.797 7.011 -5.059 1.00 0.00 N ATOM 8 CA SER A 1 17.843 6.033 -4.460 1.00 0.00 C ATOM 9 C SER A 1 16.353 6.194 -4.932 1.00 0.00 C ATOM 10 O SER A 1 15.509 6.783 -4.247 1.00 0.00 O ATOM 11 CB SER A 1 18.013 6.113 -2.921 1.00 0.00 C ATOM 12 OG SER A 1 17.536 7.354 -2.392 1.00 0.00 O ATOM 0 H SER A 1 19.097 7.740 -4.412 1.00 0.00 H new ATOM 0 HA SER A 1 18.089 5.034 -4.819 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.474 5.289 -2.454 1.00 0.00 H new ATOM 0 HB3 SER A 1 19.066 5.991 -2.666 1.00 0.00 H new ATOM 0 HG SER A 1 16.685 7.586 -2.819 1.00 0.00 H new ATOM 18 N ARG A 2 16.024 5.629 -6.106 1.00 0.00 N ATOM 19 CA ARG A 2 14.735 5.802 -6.770 1.00 0.00 C ATOM 20 C ARG A 2 14.337 4.537 -7.526 1.00 0.00 C ATOM 21 O ARG A 2 14.143 4.555 -8.741 1.00 0.00 O ATOM 22 CB ARG A 2 14.786 7.001 -7.722 1.00 0.00 C ATOM 23 CG ARG A 2 13.749 8.067 -7.410 1.00 0.00 C ATOM 24 CD ARG A 2 14.243 9.454 -7.783 1.00 0.00 C ATOM 25 NE ARG A 2 13.255 10.195 -8.562 1.00 0.00 N ATOM 26 CZ ARG A 2 12.075 10.585 -8.085 1.00 0.00 C ATOM 27 NH1 ARG A 2 11.730 10.306 -6.833 1.00 0.00 N ATOM 28 NH2 ARG A 2 11.236 11.257 -8.862 1.00 0.00 N ATOM 0 H ARG A 2 16.665 5.028 -6.625 1.00 0.00 H new ATOM 0 HA ARG A 2 13.980 5.992 -6.007 1.00 0.00 H new ATOM 0 HB2 ARG A 2 15.779 7.448 -7.678 1.00 0.00 H new ATOM 0 HB3 ARG A 2 14.639 6.650 -8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 2 12.829 7.850 -7.952 1.00 0.00 H new ATOM 0 HG3 ARG A 2 13.507 8.040 -6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 2 14.481 10.010 -6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 2 15.166 9.368 -8.356 1.00 0.00 H new ATOM 0 HE ARG A 2 13.482 10.428 -9.529 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.371 9.790 -6.230 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.824 10.608 -6.474 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.495 11.475 -9.824 1.00 0.00 H new ATOM 0 HH22 ARG A 2 10.332 11.556 -8.497 1.00 0.00 H new ATOM 42 N ARG A 3 14.209 3.440 -6.788 1.00 0.00 N ATOM 43 CA ARG A 3 13.824 2.161 -7.373 1.00 0.00 C ATOM 44 C ARG A 3 13.088 1.310 -6.347 1.00 0.00 C ATOM 45 O ARG A 3 13.699 0.536 -5.610 1.00 0.00 O ATOM 46 CB ARG A 3 15.055 1.412 -7.889 1.00 0.00 C ATOM 47 CG ARG A 3 15.504 1.861 -9.271 1.00 0.00 C ATOM 48 CD ARG A 3 14.480 1.501 -10.337 1.00 0.00 C ATOM 49 NE ARG A 3 14.870 1.994 -11.656 1.00 0.00 N ATOM 50 CZ ARG A 3 14.014 2.192 -12.657 1.00 0.00 C ATOM 51 NH1 ARG A 3 12.721 1.935 -12.496 1.00 0.00 N ATOM 52 NH2 ARG A 3 14.450 2.650 -13.823 1.00 0.00 N ATOM 0 H ARG A 3 14.367 3.411 -5.781 1.00 0.00 H new ATOM 0 HA ARG A 3 13.158 2.356 -8.213 1.00 0.00 H new ATOM 0 HB2 ARG A 3 15.876 1.551 -7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 3 14.836 0.345 -7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 3 15.665 2.939 -9.270 1.00 0.00 H new ATOM 0 HG3 ARG A 3 16.460 1.396 -9.512 1.00 0.00 H new ATOM 0 HD2 ARG A 3 14.361 0.418 -10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 3 13.511 1.919 -10.065 1.00 0.00 H new ATOM 0 HE ARG A 3 15.856 2.199 -11.820 1.00 0.00 H new ATOM 0 HH11 ARG A 3 12.378 1.584 -11.602 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.071 2.089 -13.267 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.441 2.851 -13.954 1.00 0.00 H new ATOM 0 HH22 ARG A 3 13.794 2.801 -14.589 1.00 0.00 H new ATOM 66 N CYS A 4 11.770 1.470 -6.296 1.00 0.00 N ATOM 67 CA CYS A 4 10.948 0.721 -5.356 1.00 0.00 C ATOM 68 C CYS A 4 10.854 -0.737 -5.765 1.00 0.00 C ATOM 69 O CYS A 4 10.683 -1.056 -6.941 1.00 0.00 O ATOM 70 CB CYS A 4 9.552 1.340 -5.253 1.00 0.00 C ATOM 71 SG CYS A 4 9.550 3.164 -5.219 1.00 0.00 S ATOM 0 H CYS A 4 11.250 2.111 -6.894 1.00 0.00 H new ATOM 0 HA CYS A 4 11.422 0.770 -4.375 1.00 0.00 H new ATOM 0 HB2 CYS A 4 8.953 1.002 -6.098 1.00 0.00 H new ATOM 0 HB3 CYS A 4 9.067 0.969 -4.350 1.00 0.00 H new ATOM 76 N PRO A 5 10.976 -1.650 -4.789 1.00 0.00 N ATOM 77 CA PRO A 5 10.914 -3.079 -5.056 1.00 0.00 C ATOM 78 C PRO A 5 9.514 -3.542 -5.432 1.00 0.00 C ATOM 79 O PRO A 5 8.533 -2.830 -5.216 1.00 0.00 O ATOM 80 CB PRO A 5 11.352 -3.718 -3.738 1.00 0.00 C ATOM 81 CG PRO A 5 11.016 -2.705 -2.700 1.00 0.00 C ATOM 82 CD PRO A 5 11.190 -1.362 -3.356 1.00 0.00 C ATOM 0 HA PRO A 5 11.541 -3.355 -5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.828 -4.657 -3.560 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.418 -3.943 -3.742 1.00 0.00 H new ATOM 0 HG2 PRO A 5 9.994 -2.836 -2.344 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.670 -2.803 -1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.470 -0.635 -2.980 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.183 -0.951 -3.173 1.00 0.00 H new ATOM 89 N GLY A 6 9.428 -4.743 -5.990 1.00 0.00 N ATOM 90 CA GLY A 6 8.143 -5.289 -6.381 1.00 0.00 C ATOM 91 C GLY A 6 7.588 -4.641 -7.632 1.00 0.00 C ATOM 92 O GLY A 6 8.038 -3.572 -8.044 1.00 0.00 O ATOM 0 H GLY A 6 10.226 -5.349 -6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 6 8.244 -6.362 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.434 -5.158 -5.564 1.00 0.00 H new ATOM 96 N LYS A 7 6.605 -5.297 -8.230 1.00 0.00 N ATOM 97 CA LYS A 7 5.968 -4.807 -9.443 1.00 0.00 C ATOM 98 C LYS A 7 5.335 -3.429 -9.222 1.00 0.00 C ATOM 99 O LYS A 7 4.999 -3.061 -8.092 1.00 0.00 O ATOM 100 CB LYS A 7 4.940 -5.832 -9.909 1.00 0.00 C ATOM 101 CG LYS A 7 4.342 -5.507 -11.258 1.00 0.00 C ATOM 102 CD LYS A 7 3.667 -6.722 -11.876 1.00 0.00 C ATOM 103 CE LYS A 7 4.664 -7.573 -12.644 1.00 0.00 C ATOM 104 NZ LYS A 7 3.998 -8.680 -13.388 1.00 0.00 N ATOM 0 H LYS A 7 6.227 -6.181 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 7 6.720 -4.680 -10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.411 -6.814 -9.955 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.141 -5.896 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.616 -4.701 -11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.124 -5.145 -11.926 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.201 -7.320 -11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.870 -6.398 -12.545 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.213 -6.944 -13.345 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.394 -7.990 -11.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.714 -9.236 -13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.495 -9.296 -12.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.320 -8.282 -14.068 1.00 0.00 H new ATOM 118 N ASN A 8 5.207 -2.657 -10.309 1.00 0.00 N ATOM 119 CA ASN A 8 4.652 -1.301 -10.240 1.00 0.00 C ATOM 120 C ASN A 8 3.340 -1.169 -11.019 1.00 0.00 C ATOM 121 O ASN A 8 2.695 -0.126 -10.982 1.00 0.00 O ATOM 122 CB ASN A 8 5.669 -0.293 -10.780 1.00 0.00 C ATOM 123 CG ASN A 8 6.574 0.257 -9.695 1.00 0.00 C ATOM 124 OD1 ASN A 8 6.249 1.250 -9.044 1.00 0.00 O ATOM 125 ND2 ASN A 8 7.716 -0.390 -9.494 1.00 0.00 N ATOM 0 H ASN A 8 5.481 -2.950 -11.247 1.00 0.00 H new ATOM 0 HA ASN A 8 4.437 -1.094 -9.192 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.277 -0.771 -11.548 1.00 0.00 H new ATOM 0 HB3 ASN A 8 5.140 0.531 -11.259 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.365 -0.068 -8.776 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.944 -1.209 -10.058 1.00 0.00 H new ATOM 132 N ALA A 9 2.952 -2.219 -11.722 1.00 0.00 N ATOM 133 CA ALA A 9 1.720 -2.209 -12.504 1.00 0.00 C ATOM 134 C ALA A 9 1.219 -3.633 -12.686 1.00 0.00 C ATOM 135 O ALA A 9 1.949 -4.504 -13.160 1.00 0.00 O ATOM 136 CB ALA A 9 1.952 -1.545 -13.854 1.00 0.00 C ATOM 0 H ALA A 9 3.473 -3.095 -11.770 1.00 0.00 H new ATOM 0 HA ALA A 9 0.963 -1.634 -11.970 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.023 -1.546 -14.424 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.283 -0.518 -13.702 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.716 -2.095 -14.404 1.00 0.00 H new ATOM 142 N TRP A 10 -0.019 -3.873 -12.289 1.00 0.00 N ATOM 143 CA TRP A 10 -0.604 -5.199 -12.387 1.00 0.00 C ATOM 144 C TRP A 10 -1.715 -5.254 -13.430 1.00 0.00 C ATOM 145 O TRP A 10 -2.894 -5.307 -13.089 1.00 0.00 O ATOM 146 CB TRP A 10 -1.150 -5.625 -11.025 1.00 0.00 C ATOM 147 CG TRP A 10 -0.078 -5.939 -10.032 1.00 0.00 C ATOM 148 CD1 TRP A 10 0.395 -7.173 -9.694 1.00 0.00 C ATOM 149 CD2 TRP A 10 0.661 -4.997 -9.252 1.00 0.00 C ATOM 150 NE1 TRP A 10 1.387 -7.052 -8.753 1.00 0.00 N ATOM 151 CE2 TRP A 10 1.570 -5.724 -8.465 1.00 0.00 C ATOM 152 CE3 TRP A 10 0.639 -3.607 -9.144 1.00 0.00 C ATOM 153 CZ2 TRP A 10 2.453 -5.105 -7.584 1.00 0.00 C ATOM 154 CZ3 TRP A 10 1.516 -2.989 -8.266 1.00 0.00 C ATOM 155 CH2 TRP A 10 2.412 -3.741 -7.498 1.00 0.00 C ATOM 0 H TRP A 10 -0.639 -3.166 -11.895 1.00 0.00 H new ATOM 0 HA TRP A 10 0.181 -5.886 -12.703 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.781 -4.829 -10.629 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -1.785 -6.502 -11.154 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.041 -8.107 -10.106 1.00 0.00 H new ATOM 0 HE1 TRP A 10 1.905 -7.825 -8.335 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -0.050 -3.021 -9.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.146 -5.682 -6.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 1.508 -1.913 -8.174 1.00 0.00 H new ATOM 0 HH2 TRP A 10 3.085 -3.233 -6.823 1.00 0.00 H new ATOM 166 N PRO A 11 -1.359 -5.257 -14.723 1.00 0.00 N ATOM 167 CA PRO A 11 -2.348 -5.326 -15.799 1.00 0.00 C ATOM 168 C PRO A 11 -3.194 -6.592 -15.704 1.00 0.00 C ATOM 169 O PRO A 11 -4.389 -6.582 -16.007 1.00 0.00 O ATOM 170 CB PRO A 11 -1.503 -5.336 -17.078 1.00 0.00 C ATOM 171 CG PRO A 11 -0.128 -5.720 -16.641 1.00 0.00 C ATOM 172 CD PRO A 11 0.019 -5.211 -15.236 1.00 0.00 C ATOM 0 HA PRO A 11 -3.055 -4.497 -15.761 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.897 -6.047 -17.804 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.504 -4.357 -17.557 1.00 0.00 H new ATOM 0 HG2 PRO A 11 0.006 -6.801 -16.680 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.626 -5.282 -17.295 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.690 -5.837 -14.648 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.425 -4.200 -15.213 1.00 0.00 H new ATOM 179 N GLU A 12 -2.562 -7.682 -15.276 1.00 0.00 N ATOM 180 CA GLU A 12 -3.247 -8.961 -15.134 1.00 0.00 C ATOM 181 C GLU A 12 -4.330 -8.910 -14.057 1.00 0.00 C ATOM 182 O GLU A 12 -5.130 -9.837 -13.934 1.00 0.00 O ATOM 183 CB GLU A 12 -2.244 -10.063 -14.811 1.00 0.00 C ATOM 184 CG GLU A 12 -1.490 -9.826 -13.520 1.00 0.00 C ATOM 185 CD GLU A 12 -0.060 -9.383 -13.755 1.00 0.00 C ATOM 186 OE1 GLU A 12 0.157 -8.526 -14.637 1.00 0.00 O ATOM 187 OE2 GLU A 12 0.843 -9.891 -13.056 1.00 0.00 O ATOM 0 H GLU A 12 -1.575 -7.703 -15.021 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.733 -9.179 -16.085 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.769 -11.016 -14.747 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.530 -10.147 -15.631 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.010 -9.068 -12.934 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.491 -10.742 -12.929 1.00 0.00 H new ATOM 194 N LEU A 13 -4.364 -7.827 -13.282 1.00 0.00 N ATOM 195 CA LEU A 13 -5.368 -7.684 -12.237 1.00 0.00 C ATOM 196 C LEU A 13 -6.675 -7.158 -12.819 1.00 0.00 C ATOM 197 O LEU A 13 -7.737 -7.305 -12.214 1.00 0.00 O ATOM 198 CB LEU A 13 -4.879 -6.750 -11.121 1.00 0.00 C ATOM 199 CG LEU A 13 -3.882 -7.378 -10.147 1.00 0.00 C ATOM 200 CD1 LEU A 13 -3.490 -6.380 -9.069 1.00 0.00 C ATOM 201 CD2 LEU A 13 -4.467 -8.636 -9.526 1.00 0.00 C ATOM 0 H LEU A 13 -3.714 -7.045 -13.359 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.542 -8.671 -11.807 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.417 -5.874 -11.577 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.743 -6.398 -10.557 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.984 -7.654 -10.700 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.780 -6.844 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.030 -5.507 -9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.378 -6.073 -8.517 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.744 -9.071 -8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.380 -8.385 -8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.697 -9.356 -10.311 1.00 0.00 H new ATOM 213 N VAL A 14 -6.593 -6.547 -14.000 1.00 0.00 N ATOM 214 CA VAL A 14 -7.775 -6.003 -14.659 1.00 0.00 C ATOM 215 C VAL A 14 -8.845 -7.077 -14.832 1.00 0.00 C ATOM 216 O VAL A 14 -8.676 -8.019 -15.606 1.00 0.00 O ATOM 217 CB VAL A 14 -7.419 -5.414 -16.037 1.00 0.00 C ATOM 218 CG1 VAL A 14 -8.638 -4.766 -16.682 1.00 0.00 C ATOM 219 CG2 VAL A 14 -6.277 -4.416 -15.912 1.00 0.00 C ATOM 0 H VAL A 14 -5.723 -6.418 -14.517 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.164 -5.208 -14.023 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.092 -6.229 -16.683 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.361 -4.357 -17.654 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.421 -5.513 -16.812 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.005 -3.963 -16.042 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.039 -4.010 -16.895 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.574 -3.605 -15.247 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.399 -4.917 -15.504 1.00 0.00 H new ATOM 229 N GLY A 15 -9.941 -6.934 -14.095 1.00 0.00 N ATOM 230 CA GLY A 15 -11.017 -7.901 -14.171 1.00 0.00 C ATOM 231 C GLY A 15 -11.186 -8.671 -12.874 1.00 0.00 C ATOM 232 O GLY A 15 -12.163 -9.399 -12.699 1.00 0.00 O ATOM 0 H GLY A 15 -10.102 -6.164 -13.446 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.948 -7.388 -14.411 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.819 -8.600 -14.984 1.00 0.00 H new ATOM 236 N LYS A 16 -10.233 -8.507 -11.959 1.00 0.00 N ATOM 237 CA LYS A 16 -10.288 -9.190 -10.671 1.00 0.00 C ATOM 238 C LYS A 16 -10.909 -8.289 -9.608 1.00 0.00 C ATOM 239 O LYS A 16 -10.916 -7.068 -9.746 1.00 0.00 O ATOM 240 CB LYS A 16 -8.885 -9.623 -10.240 1.00 0.00 C ATOM 241 CG LYS A 16 -8.637 -11.115 -10.389 1.00 0.00 C ATOM 242 CD LYS A 16 -9.216 -11.896 -9.219 1.00 0.00 C ATOM 243 CE LYS A 16 -8.463 -13.195 -8.987 1.00 0.00 C ATOM 244 NZ LYS A 16 -9.250 -14.153 -8.162 1.00 0.00 N ATOM 0 H LYS A 16 -9.417 -7.909 -12.086 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.913 -10.076 -10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.148 -9.080 -10.832 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.730 -9.339 -9.199 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.082 -11.468 -11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.565 -11.302 -10.458 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.175 -11.285 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.267 -12.113 -9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.225 -13.653 -9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.516 -12.982 -8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.604 -14.817 -7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.792 -13.630 -7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.904 -14.682 -8.773 1.00 0.00 H new ATOM 258 N SER A 17 -11.432 -8.896 -8.547 1.00 0.00 N ATOM 259 CA SER A 17 -12.054 -8.136 -7.468 1.00 0.00 C ATOM 260 C SER A 17 -11.056 -7.168 -6.844 1.00 0.00 C ATOM 261 O SER A 17 -9.897 -7.517 -6.621 1.00 0.00 O ATOM 262 CB SER A 17 -12.600 -9.076 -6.391 1.00 0.00 C ATOM 263 OG SER A 17 -11.582 -9.456 -5.482 1.00 0.00 O ATOM 0 H SER A 17 -11.438 -9.907 -8.411 1.00 0.00 H new ATOM 0 HA SER A 17 -12.880 -7.566 -7.894 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.409 -8.584 -5.851 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.023 -9.964 -6.860 1.00 0.00 H new ATOM 0 HG SER A 17 -11.957 -10.055 -4.803 1.00 0.00 H new ATOM 269 N GLY A 18 -11.514 -5.953 -6.551 1.00 0.00 N ATOM 270 CA GLY A 18 -10.646 -4.958 -5.945 1.00 0.00 C ATOM 271 C GLY A 18 -9.878 -5.516 -4.761 1.00 0.00 C ATOM 272 O GLY A 18 -8.746 -5.108 -4.493 1.00 0.00 O ATOM 0 H GLY A 18 -12.470 -5.640 -6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.943 -4.588 -6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.243 -4.106 -5.620 1.00 0.00 H new ATOM 276 N ASN A 19 -10.496 -6.463 -4.058 1.00 0.00 N ATOM 277 CA ASN A 19 -9.863 -7.089 -2.903 1.00 0.00 C ATOM 278 C ASN A 19 -8.706 -7.969 -3.349 1.00 0.00 C ATOM 279 O ASN A 19 -7.609 -7.904 -2.793 1.00 0.00 O ATOM 280 CB ASN A 19 -10.883 -7.918 -2.117 1.00 0.00 C ATOM 281 CG ASN A 19 -11.141 -7.362 -0.731 1.00 0.00 C ATOM 282 OD1 ASN A 19 -11.506 -6.197 -0.574 1.00 0.00 O ATOM 283 ND2 ASN A 19 -10.954 -8.196 0.285 1.00 0.00 N ATOM 0 H ASN A 19 -11.431 -6.812 -4.268 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.477 -6.304 -2.253 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.821 -7.953 -2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -10.524 -8.944 -2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.114 -7.879 1.241 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.651 -9.154 0.109 1.00 0.00 H new ATOM 290 N MET A 20 -8.959 -8.792 -4.361 1.00 0.00 N ATOM 291 CA MET A 20 -7.933 -9.677 -4.891 1.00 0.00 C ATOM 292 C MET A 20 -6.815 -8.856 -5.518 1.00 0.00 C ATOM 293 O MET A 20 -5.646 -9.236 -5.473 1.00 0.00 O ATOM 294 CB MET A 20 -8.533 -10.635 -5.924 1.00 0.00 C ATOM 295 CG MET A 20 -8.292 -12.102 -5.605 1.00 0.00 C ATOM 296 SD MET A 20 -9.635 -12.836 -4.653 1.00 0.00 S ATOM 297 CE MET A 20 -9.332 -12.129 -3.036 1.00 0.00 C ATOM 0 H MET A 20 -9.863 -8.863 -4.828 1.00 0.00 H new ATOM 0 HA MET A 20 -7.522 -10.268 -4.073 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.606 -10.458 -5.991 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.111 -10.411 -6.904 1.00 0.00 H new ATOM 0 HG2 MET A 20 -8.166 -12.656 -6.535 1.00 0.00 H new ATOM 0 HG3 MET A 20 -7.361 -12.200 -5.047 1.00 0.00 H new ATOM 0 HE1 MET A 20 -9.914 -12.668 -2.288 1.00 0.00 H new ATOM 0 HE2 MET A 20 -8.271 -12.208 -2.797 1.00 0.00 H new ATOM 0 HE3 MET A 20 -9.626 -11.079 -3.037 1.00 0.00 H new ATOM 307 N ALA A 21 -7.189 -7.717 -6.091 1.00 0.00 N ATOM 308 CA ALA A 21 -6.226 -6.825 -6.715 1.00 0.00 C ATOM 309 C ALA A 21 -5.250 -6.285 -5.679 1.00 0.00 C ATOM 310 O ALA A 21 -4.040 -6.503 -5.773 1.00 0.00 O ATOM 311 CB ALA A 21 -6.947 -5.683 -7.416 1.00 0.00 C ATOM 0 H ALA A 21 -8.155 -7.392 -6.135 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.660 -7.387 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.216 -5.021 -7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.609 -6.086 -8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.534 -5.122 -6.689 1.00 0.00 H new ATOM 317 N ALA A 22 -5.787 -5.595 -4.673 1.00 0.00 N ATOM 318 CA ALA A 22 -4.958 -5.037 -3.612 1.00 0.00 C ATOM 319 C ALA A 22 -4.116 -6.126 -2.963 1.00 0.00 C ATOM 320 O ALA A 22 -2.935 -5.926 -2.680 1.00 0.00 O ATOM 321 CB ALA A 22 -5.823 -4.342 -2.570 1.00 0.00 C ATOM 0 H ALA A 22 -6.785 -5.411 -4.573 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.287 -4.299 -4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.188 -3.931 -1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.384 -3.535 -3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.517 -5.061 -2.135 1.00 0.00 H new ATOM 327 N ALA A 23 -4.731 -7.284 -2.739 1.00 0.00 N ATOM 328 CA ALA A 23 -4.033 -8.409 -2.135 1.00 0.00 C ATOM 329 C ALA A 23 -2.852 -8.828 -2.997 1.00 0.00 C ATOM 330 O ALA A 23 -1.746 -9.025 -2.496 1.00 0.00 O ATOM 331 CB ALA A 23 -4.988 -9.577 -1.931 1.00 0.00 C ATOM 0 H ALA A 23 -5.709 -7.465 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.653 -8.099 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.451 -10.411 -1.478 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.803 -9.271 -1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.395 -9.887 -2.894 1.00 0.00 H new ATOM 337 N THR A 24 -3.089 -8.948 -4.299 1.00 0.00 N ATOM 338 CA THR A 24 -2.039 -9.332 -5.235 1.00 0.00 C ATOM 339 C THR A 24 -0.875 -8.354 -5.164 1.00 0.00 C ATOM 340 O THR A 24 0.286 -8.757 -5.145 1.00 0.00 O ATOM 341 CB THR A 24 -2.590 -9.385 -6.660 1.00 0.00 C ATOM 342 OG1 THR A 24 -3.672 -10.297 -6.748 1.00 0.00 O ATOM 343 CG2 THR A 24 -1.558 -9.799 -7.687 1.00 0.00 C ATOM 0 H THR A 24 -3.999 -8.785 -4.730 1.00 0.00 H new ATOM 0 HA THR A 24 -1.680 -10.323 -4.958 1.00 0.00 H new ATOM 0 HB THR A 24 -2.912 -8.367 -6.881 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.517 -9.814 -6.631 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.016 -9.816 -8.676 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.733 -9.087 -7.681 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.181 -10.793 -7.444 1.00 0.00 H new ATOM 351 N VAL A 25 -1.194 -7.067 -5.116 1.00 0.00 N ATOM 352 CA VAL A 25 -0.165 -6.039 -5.041 1.00 0.00 C ATOM 353 C VAL A 25 0.628 -6.159 -3.746 1.00 0.00 C ATOM 354 O VAL A 25 1.855 -6.206 -3.761 1.00 0.00 O ATOM 355 CB VAL A 25 -0.767 -4.625 -5.137 1.00 0.00 C ATOM 356 CG1 VAL A 25 0.335 -3.581 -5.249 1.00 0.00 C ATOM 357 CG2 VAL A 25 -1.722 -4.531 -6.319 1.00 0.00 C ATOM 0 H VAL A 25 -2.150 -6.712 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 25 0.500 -6.193 -5.890 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.331 -4.428 -4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.110 -2.588 -5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.976 -3.633 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.929 -3.773 -6.142 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.138 -3.525 -6.371 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.183 -4.749 -7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.530 -5.252 -6.192 1.00 0.00 H new ATOM 367 N GLU A 26 -0.078 -6.204 -2.624 1.00 0.00 N ATOM 368 CA GLU A 26 0.563 -6.313 -1.322 1.00 0.00 C ATOM 369 C GLU A 26 1.323 -7.631 -1.180 1.00 0.00 C ATOM 370 O GLU A 26 2.315 -7.706 -0.455 1.00 0.00 O ATOM 371 CB GLU A 26 -0.483 -6.176 -0.219 1.00 0.00 C ATOM 372 CG GLU A 26 -1.059 -4.775 -0.133 1.00 0.00 C ATOM 373 CD GLU A 26 -2.556 -4.761 0.106 1.00 0.00 C ATOM 374 OE1 GLU A 26 -3.070 -5.719 0.721 1.00 0.00 O ATOM 375 OE2 GLU A 26 -3.213 -3.788 -0.324 1.00 0.00 O ATOM 0 H GLU A 26 -1.097 -6.167 -2.590 1.00 0.00 H new ATOM 0 HA GLU A 26 1.290 -5.506 -1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.290 -6.886 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.033 -6.439 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.563 -4.234 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.840 -4.241 -1.058 1.00 0.00 H new ATOM 382 N ARG A 27 0.858 -8.669 -1.871 1.00 0.00 N ATOM 383 CA ARG A 27 1.510 -9.976 -1.809 1.00 0.00 C ATOM 384 C ARG A 27 2.757 -10.003 -2.689 1.00 0.00 C ATOM 385 O ARG A 27 3.857 -10.283 -2.213 1.00 0.00 O ATOM 386 CB ARG A 27 0.545 -11.085 -2.238 1.00 0.00 C ATOM 387 CG ARG A 27 0.245 -12.086 -1.132 1.00 0.00 C ATOM 388 CD ARG A 27 0.584 -13.508 -1.553 1.00 0.00 C ATOM 389 NE ARG A 27 -0.288 -13.983 -2.626 1.00 0.00 N ATOM 390 CZ ARG A 27 -0.547 -15.269 -2.859 1.00 0.00 C ATOM 391 NH1 ARG A 27 0.002 -16.215 -2.105 1.00 0.00 N ATOM 392 NH2 ARG A 27 -1.358 -15.610 -3.851 1.00 0.00 N ATOM 0 H ARG A 27 0.038 -8.632 -2.477 1.00 0.00 H new ATOM 0 HA ARG A 27 1.808 -10.151 -0.775 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.389 -10.634 -2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.968 -11.614 -3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.815 -11.825 -0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.810 -12.027 -0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.622 -13.551 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 27 0.496 -14.172 -0.693 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.724 -13.288 -3.232 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.627 -15.959 -1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.202 -17.197 -2.290 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.782 -14.888 -4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.558 -16.594 -4.031 1.00 0.00 H new ATOM 406 N GLU A 28 2.578 -9.711 -3.974 1.00 0.00 N ATOM 407 CA GLU A 28 3.693 -9.701 -4.914 1.00 0.00 C ATOM 408 C GLU A 28 4.689 -8.608 -4.547 1.00 0.00 C ATOM 409 O GLU A 28 5.898 -8.774 -4.702 1.00 0.00 O ATOM 410 CB GLU A 28 3.184 -9.496 -6.342 1.00 0.00 C ATOM 411 CG GLU A 28 2.174 -10.543 -6.783 1.00 0.00 C ATOM 412 CD GLU A 28 2.047 -10.631 -8.290 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.240 -9.597 -8.963 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.756 -11.734 -8.799 1.00 0.00 O ATOM 0 H GLU A 28 1.675 -9.479 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 28 4.199 -10.665 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.729 -8.509 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.032 -9.510 -7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.469 -11.516 -6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.200 -10.307 -6.353 1.00 0.00 H new ATOM 421 N ASN A 29 4.168 -7.492 -4.048 1.00 0.00 N ATOM 422 CA ASN A 29 4.998 -6.364 -3.647 1.00 0.00 C ATOM 423 C ASN A 29 4.748 -6.007 -2.185 1.00 0.00 C ATOM 424 O ASN A 29 4.035 -5.051 -1.875 1.00 0.00 O ATOM 425 CB ASN A 29 4.708 -5.158 -4.541 1.00 0.00 C ATOM 426 CG ASN A 29 5.599 -3.977 -4.218 1.00 0.00 C ATOM 427 OD1 ASN A 29 6.069 -3.833 -3.086 1.00 0.00 O ATOM 428 ND2 ASN A 29 5.836 -3.125 -5.213 1.00 0.00 N ATOM 0 H ASN A 29 3.168 -7.345 -3.911 1.00 0.00 H new ATOM 0 HA ASN A 29 6.045 -6.646 -3.759 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.847 -5.440 -5.585 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.664 -4.865 -4.426 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.429 -2.310 -5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.424 -3.287 -6.132 1.00 0.00 H new ATOM 435 N ARG A 30 5.349 -6.785 -1.289 1.00 0.00 N ATOM 436 CA ARG A 30 5.203 -6.577 0.149 1.00 0.00 C ATOM 437 C ARG A 30 5.723 -5.209 0.602 1.00 0.00 C ATOM 438 O ARG A 30 5.621 -4.870 1.781 1.00 0.00 O ATOM 439 CB ARG A 30 5.938 -7.680 0.911 1.00 0.00 C ATOM 440 CG ARG A 30 5.237 -8.108 2.192 1.00 0.00 C ATOM 441 CD ARG A 30 5.167 -9.622 2.315 1.00 0.00 C ATOM 442 NE ARG A 30 3.789 -10.104 2.348 1.00 0.00 N ATOM 443 CZ ARG A 30 2.929 -9.828 3.327 1.00 0.00 C ATOM 444 NH1 ARG A 30 3.303 -9.079 4.358 1.00 0.00 N ATOM 445 NH2 ARG A 30 1.692 -10.301 3.276 1.00 0.00 N ATOM 0 H ARG A 30 5.948 -7.573 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 30 4.136 -6.611 0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.049 -8.547 0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.942 -7.334 1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.767 -7.697 3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.229 -7.694 2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.691 -10.079 1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.683 -9.937 3.222 1.00 0.00 H new ATOM 0 HE ARG A 30 3.466 -10.687 1.576 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.253 -8.712 4.403 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.640 -8.871 5.105 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.398 -10.877 2.487 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.034 -10.089 4.026 1.00 0.00 H new ATOM 459 N ASN A 31 6.286 -4.425 -0.316 1.00 0.00 N ATOM 460 CA ASN A 31 6.815 -3.114 0.039 1.00 0.00 C ATOM 461 C ASN A 31 5.788 -2.003 -0.182 1.00 0.00 C ATOM 462 O ASN A 31 6.043 -0.843 0.143 1.00 0.00 O ATOM 463 CB ASN A 31 8.075 -2.820 -0.770 1.00 0.00 C ATOM 464 CG ASN A 31 8.737 -1.519 -0.359 1.00 0.00 C ATOM 465 OD1 ASN A 31 8.359 -0.444 -0.824 1.00 0.00 O ATOM 466 ND2 ASN A 31 9.730 -1.611 0.520 1.00 0.00 N ATOM 0 H ASN A 31 6.386 -4.673 -1.300 1.00 0.00 H new ATOM 0 HA ASN A 31 7.057 -3.137 1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.783 -3.640 -0.645 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.821 -2.776 -1.829 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.212 -0.769 0.835 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.010 -2.524 0.879 1.00 0.00 H new ATOM 473 N VAL A 32 4.634 -2.349 -0.746 1.00 0.00 N ATOM 474 CA VAL A 32 3.602 -1.355 -1.014 1.00 0.00 C ATOM 475 C VAL A 32 2.205 -1.885 -0.706 1.00 0.00 C ATOM 476 O VAL A 32 2.020 -3.083 -0.496 1.00 0.00 O ATOM 477 CB VAL A 32 3.664 -0.898 -2.483 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.072 -0.442 -2.827 1.00 0.00 C ATOM 479 CG2 VAL A 32 3.218 -2.014 -3.420 1.00 0.00 C ATOM 0 H VAL A 32 4.392 -3.300 -1.023 1.00 0.00 H new ATOM 0 HA VAL A 32 3.796 -0.508 -0.356 1.00 0.00 H new ATOM 0 HB VAL A 32 2.981 -0.059 -2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.106 -0.121 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.353 0.390 -2.181 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.768 -1.268 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.271 -1.666 -4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.871 -2.877 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.192 -2.298 -3.185 1.00 0.00 H new ATOM 489 N HIS A 33 1.224 -0.982 -0.692 1.00 0.00 N ATOM 490 CA HIS A 33 -0.165 -1.368 -0.429 1.00 0.00 C ATOM 491 C HIS A 33 -1.107 -0.718 -1.442 1.00 0.00 C ATOM 492 O HIS A 33 -0.861 0.393 -1.919 1.00 0.00 O ATOM 493 CB HIS A 33 -0.592 -1.003 1.001 1.00 0.00 C ATOM 494 CG HIS A 33 0.188 0.116 1.625 1.00 0.00 C ATOM 495 ND1 HIS A 33 1.159 -0.087 2.581 1.00 0.00 N ATOM 496 CD2 HIS A 33 0.123 1.456 1.438 1.00 0.00 C ATOM 497 CE1 HIS A 33 1.656 1.077 2.955 1.00 0.00 C ATOM 498 NE2 HIS A 33 1.045 2.029 2.277 1.00 0.00 N ATOM 0 H HIS A 33 1.362 0.015 -0.858 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.228 -2.451 -0.533 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.647 -0.730 0.991 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.497 -1.888 1.630 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.533 1.976 0.756 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.432 1.225 3.692 1.00 0.00 H new ATOM 0 HE2 HIS A 33 1.228 3.029 2.362 1.00 0.00 H new ATOM 507 N ALA A 34 -2.181 -1.429 -1.784 1.00 0.00 N ATOM 508 CA ALA A 34 -3.146 -0.924 -2.750 1.00 0.00 C ATOM 509 C ALA A 34 -4.461 -0.545 -2.080 1.00 0.00 C ATOM 510 O ALA A 34 -4.952 -1.255 -1.202 1.00 0.00 O ATOM 511 CB ALA A 34 -3.387 -1.954 -3.843 1.00 0.00 C ATOM 0 H ALA A 34 -2.401 -2.351 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.729 -0.022 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.111 -1.563 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.449 -2.167 -4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.774 -2.871 -3.400 1.00 0.00 H new ATOM 517 N ILE A 35 -5.025 0.579 -2.509 1.00 0.00 N ATOM 518 CA ILE A 35 -6.289 1.064 -1.965 1.00 0.00 C ATOM 519 C ILE A 35 -7.426 0.825 -2.953 1.00 0.00 C ATOM 520 O ILE A 35 -7.393 1.309 -4.085 1.00 0.00 O ATOM 521 CB ILE A 35 -6.218 2.566 -1.633 1.00 0.00 C ATOM 522 CG1 ILE A 35 -5.036 2.855 -0.705 1.00 0.00 C ATOM 523 CG2 ILE A 35 -7.520 3.035 -0.997 1.00 0.00 C ATOM 524 CD1 ILE A 35 -3.691 2.803 -1.398 1.00 0.00 C ATOM 0 H ILE A 35 -4.625 1.174 -3.235 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.479 0.509 -1.046 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.070 3.116 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.168 3.841 -0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.042 2.133 0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.451 4.099 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.345 2.865 -1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.697 2.478 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.902 3.018 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.537 1.810 -1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.664 3.544 -2.197 1.00 0.00 H new ATOM 536 N VAL A 36 -8.429 0.064 -2.528 1.00 0.00 N ATOM 537 CA VAL A 36 -9.562 -0.242 -3.385 1.00 0.00 C ATOM 538 C VAL A 36 -10.567 0.906 -3.418 1.00 0.00 C ATOM 539 O VAL A 36 -10.990 1.412 -2.378 1.00 0.00 O ATOM 540 CB VAL A 36 -10.264 -1.541 -2.931 1.00 0.00 C ATOM 541 CG1 VAL A 36 -11.080 -1.310 -1.664 1.00 0.00 C ATOM 542 CG2 VAL A 36 -11.142 -2.096 -4.042 1.00 0.00 C ATOM 0 H VAL A 36 -8.478 -0.350 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.172 -0.385 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.492 -2.277 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -11.563 -2.241 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -10.422 -0.972 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -11.840 -0.552 -1.854 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -11.626 -3.011 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -11.901 -1.360 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.528 -2.315 -4.916 1.00 0.00 H new ATOM 552 N LEU A 37 -10.943 1.303 -4.628 1.00 0.00 N ATOM 553 CA LEU A 37 -11.897 2.388 -4.826 1.00 0.00 C ATOM 554 C LEU A 37 -12.571 2.254 -6.186 1.00 0.00 C ATOM 555 O LEU A 37 -11.997 1.693 -7.116 1.00 0.00 O ATOM 556 CB LEU A 37 -11.203 3.746 -4.718 1.00 0.00 C ATOM 557 CG LEU A 37 -9.740 3.774 -5.172 1.00 0.00 C ATOM 558 CD1 LEU A 37 -9.642 4.190 -6.633 1.00 0.00 C ATOM 559 CD2 LEU A 37 -8.924 4.710 -4.289 1.00 0.00 C ATOM 0 H LEU A 37 -10.599 0.886 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.655 2.324 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.763 4.470 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.250 4.078 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.330 2.769 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -8.596 4.204 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.190 3.479 -7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.070 5.185 -6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.888 4.717 -4.626 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.333 5.718 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.967 4.365 -3.256 1.00 0.00 H new ATOM 571 N LYS A 38 -13.793 2.762 -6.297 1.00 0.00 N ATOM 572 CA LYS A 38 -14.535 2.676 -7.552 1.00 0.00 C ATOM 573 C LYS A 38 -14.267 3.875 -8.456 1.00 0.00 C ATOM 574 O LYS A 38 -13.917 4.964 -7.989 1.00 0.00 O ATOM 575 CB LYS A 38 -16.039 2.563 -7.280 1.00 0.00 C ATOM 576 CG LYS A 38 -16.480 1.176 -6.843 1.00 0.00 C ATOM 577 CD LYS A 38 -16.200 0.940 -5.367 1.00 0.00 C ATOM 578 CE LYS A 38 -17.413 0.362 -4.650 1.00 0.00 C ATOM 579 NZ LYS A 38 -17.220 -1.072 -4.293 1.00 0.00 N ATOM 0 H LYS A 38 -14.289 3.234 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.189 1.780 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.314 3.282 -6.508 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.584 2.840 -8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.546 1.055 -7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.961 0.424 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.356 0.259 -5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.912 1.880 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.608 0.938 -3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.292 0.462 -5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.069 -1.426 -3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.060 -1.627 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.397 -1.166 -3.664 1.00 0.00 H new ATOM 593 N GLU A 39 -14.453 3.665 -9.758 1.00 0.00 N ATOM 594 CA GLU A 39 -14.244 4.716 -10.750 1.00 0.00 C ATOM 595 C GLU A 39 -14.939 6.008 -10.334 1.00 0.00 C ATOM 596 O GLU A 39 -16.163 6.057 -10.214 1.00 0.00 O ATOM 597 CB GLU A 39 -14.769 4.266 -12.118 1.00 0.00 C ATOM 598 CG GLU A 39 -16.242 3.887 -12.109 1.00 0.00 C ATOM 599 CD GLU A 39 -17.088 4.803 -12.972 1.00 0.00 C ATOM 600 OE1 GLU A 39 -16.908 4.787 -14.207 1.00 0.00 O ATOM 601 OE2 GLU A 39 -17.929 5.536 -12.411 1.00 0.00 O ATOM 0 H GLU A 39 -14.749 2.772 -10.151 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.173 4.905 -10.818 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.613 5.068 -12.840 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -14.184 3.412 -12.459 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -16.351 2.861 -12.460 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.614 3.914 -11.085 1.00 0.00 H new ATOM 608 N GLY A 40 -14.151 7.053 -10.116 1.00 0.00 N ATOM 609 CA GLY A 40 -14.709 8.328 -9.718 1.00 0.00 C ATOM 610 C GLY A 40 -14.386 8.687 -8.279 1.00 0.00 C ATOM 611 O GLY A 40 -14.757 9.760 -7.805 1.00 0.00 O ATOM 0 H GLY A 40 -13.135 7.039 -10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.328 9.108 -10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.791 8.302 -9.847 1.00 0.00 H new ATOM 615 N SER A 41 -13.689 7.792 -7.579 1.00 0.00 N ATOM 616 CA SER A 41 -13.321 8.035 -6.190 1.00 0.00 C ATOM 617 C SER A 41 -12.264 9.131 -6.095 1.00 0.00 C ATOM 618 O SER A 41 -11.926 9.768 -7.093 1.00 0.00 O ATOM 619 CB SER A 41 -12.799 6.745 -5.549 1.00 0.00 C ATOM 620 OG SER A 41 -12.358 6.972 -4.220 1.00 0.00 O ATOM 0 H SER A 41 -13.371 6.897 -7.951 1.00 0.00 H new ATOM 0 HA SER A 41 -14.210 8.365 -5.652 1.00 0.00 H new ATOM 0 HB2 SER A 41 -13.587 5.992 -5.549 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.977 6.347 -6.144 1.00 0.00 H new ATOM 0 HG SER A 41 -13.095 7.340 -3.689 1.00 0.00 H new ATOM 626 N ALA A 42 -11.738 9.334 -4.893 1.00 0.00 N ATOM 627 CA ALA A 42 -10.711 10.335 -4.665 1.00 0.00 C ATOM 628 C ALA A 42 -9.345 9.712 -4.892 1.00 0.00 C ATOM 629 O ALA A 42 -8.865 8.923 -4.079 1.00 0.00 O ATOM 630 CB ALA A 42 -10.821 10.905 -3.258 1.00 0.00 C ATOM 0 H ALA A 42 -12.010 8.814 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.847 11.158 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -10.043 11.653 -3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.799 11.368 -3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.700 10.103 -2.530 1.00 0.00 H new ATOM 636 N MET A 43 -8.745 10.044 -6.020 1.00 0.00 N ATOM 637 CA MET A 43 -7.452 9.498 -6.378 1.00 0.00 C ATOM 638 C MET A 43 -6.467 10.592 -6.729 1.00 0.00 C ATOM 639 O MET A 43 -6.488 11.132 -7.835 1.00 0.00 O ATOM 640 CB MET A 43 -7.593 8.517 -7.550 1.00 0.00 C ATOM 641 CG MET A 43 -8.792 8.789 -8.445 1.00 0.00 C ATOM 642 SD MET A 43 -8.459 8.419 -10.176 1.00 0.00 S ATOM 643 CE MET A 43 -7.679 9.943 -10.701 1.00 0.00 C ATOM 0 H MET A 43 -9.135 10.691 -6.705 1.00 0.00 H new ATOM 0 HA MET A 43 -7.065 8.964 -5.510 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.686 8.556 -8.154 1.00 0.00 H new ATOM 0 HB3 MET A 43 -7.670 7.504 -7.155 1.00 0.00 H new ATOM 0 HG2 MET A 43 -9.638 8.191 -8.105 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.082 9.835 -8.350 1.00 0.00 H new ATOM 0 HE1 MET A 43 -7.477 9.898 -11.771 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.342 10.782 -10.492 1.00 0.00 H new ATOM 0 HE3 MET A 43 -6.742 10.077 -10.160 1.00 0.00 H new ATOM 653 N THR A 44 -5.597 10.911 -5.781 1.00 0.00 N ATOM 654 CA THR A 44 -4.598 11.934 -6.006 1.00 0.00 C ATOM 655 C THR A 44 -3.731 11.557 -7.198 1.00 0.00 C ATOM 656 O THR A 44 -3.500 10.370 -7.457 1.00 0.00 O ATOM 657 CB THR A 44 -3.732 12.138 -4.760 1.00 0.00 C ATOM 658 OG1 THR A 44 -3.379 10.893 -4.182 1.00 0.00 O ATOM 659 CG2 THR A 44 -4.407 12.973 -3.691 1.00 0.00 C ATOM 0 H THR A 44 -5.566 10.478 -4.858 1.00 0.00 H new ATOM 0 HA THR A 44 -5.108 12.874 -6.219 1.00 0.00 H new ATOM 0 HB THR A 44 -2.848 12.672 -5.108 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.268 11.001 -3.214 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.739 13.079 -2.836 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.641 13.959 -4.093 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.328 12.483 -3.374 1.00 0.00 H new ATOM 667 N LYS A 45 -3.271 12.568 -7.926 1.00 0.00 N ATOM 668 CA LYS A 45 -2.441 12.352 -9.101 1.00 0.00 C ATOM 669 C LYS A 45 -0.994 12.092 -8.706 1.00 0.00 C ATOM 670 O LYS A 45 -0.250 11.436 -9.435 1.00 0.00 O ATOM 671 CB LYS A 45 -2.518 13.552 -10.033 1.00 0.00 C ATOM 672 CG LYS A 45 -3.676 13.485 -11.016 1.00 0.00 C ATOM 673 CD LYS A 45 -3.852 14.799 -11.761 1.00 0.00 C ATOM 674 CE LYS A 45 -4.678 14.618 -13.025 1.00 0.00 C ATOM 675 NZ LYS A 45 -4.406 15.685 -14.028 1.00 0.00 N ATOM 0 H LYS A 45 -3.461 13.549 -7.720 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.819 11.473 -9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.611 14.460 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.584 13.630 -10.589 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.502 12.681 -11.731 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.595 13.243 -10.482 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.337 15.526 -11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.874 15.206 -12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.460 13.644 -13.464 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.738 14.623 -12.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.990 15.523 -14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.638 16.613 -13.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.400 15.665 -14.292 1.00 0.00 H new ATOM 689 N ASP A 46 -0.598 12.613 -7.546 1.00 0.00 N ATOM 690 CA ASP A 46 0.764 12.435 -7.053 1.00 0.00 C ATOM 691 C ASP A 46 1.193 10.975 -7.166 1.00 0.00 C ATOM 692 O ASP A 46 0.356 10.082 -7.295 1.00 0.00 O ATOM 693 CB ASP A 46 0.870 12.902 -5.599 1.00 0.00 C ATOM 694 CG ASP A 46 2.121 13.721 -5.347 1.00 0.00 C ATOM 695 OD1 ASP A 46 2.306 14.749 -6.032 1.00 0.00 O ATOM 696 OD2 ASP A 46 2.915 13.337 -4.461 1.00 0.00 O ATOM 0 H ASP A 46 -1.201 13.161 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 46 1.430 13.040 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.008 13.497 -5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.868 12.034 -4.940 1.00 0.00 H new ATOM 701 N PHE A 47 2.498 10.740 -7.125 1.00 0.00 N ATOM 702 CA PHE A 47 3.030 9.388 -7.235 1.00 0.00 C ATOM 703 C PHE A 47 3.483 8.849 -5.878 1.00 0.00 C ATOM 704 O PHE A 47 4.115 9.558 -5.095 1.00 0.00 O ATOM 705 CB PHE A 47 4.194 9.360 -8.226 1.00 0.00 C ATOM 706 CG PHE A 47 4.869 8.024 -8.304 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.874 7.692 -7.412 1.00 0.00 C ATOM 708 CD2 PHE A 47 4.480 7.092 -9.251 1.00 0.00 C ATOM 709 CE1 PHE A 47 6.481 6.455 -7.461 1.00 0.00 C ATOM 710 CE2 PHE A 47 5.086 5.852 -9.307 1.00 0.00 C ATOM 711 CZ PHE A 47 6.088 5.533 -8.409 1.00 0.00 C ATOM 0 H PHE A 47 3.206 11.466 -7.017 1.00 0.00 H new ATOM 0 HA PHE A 47 2.229 8.744 -7.599 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.827 9.633 -9.215 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.927 10.114 -7.938 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.186 8.411 -6.669 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.696 7.337 -9.952 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.263 6.208 -6.758 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.778 5.133 -10.051 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.562 4.564 -8.450 1.00 0.00 H new ATOM 721 N ARG A 48 3.155 7.585 -5.615 1.00 0.00 N ATOM 722 CA ARG A 48 3.525 6.933 -4.363 1.00 0.00 C ATOM 723 C ARG A 48 3.656 5.425 -4.566 1.00 0.00 C ATOM 724 O ARG A 48 2.671 4.738 -4.838 1.00 0.00 O ATOM 725 CB ARG A 48 2.482 7.226 -3.282 1.00 0.00 C ATOM 726 CG ARG A 48 2.778 8.475 -2.470 1.00 0.00 C ATOM 727 CD ARG A 48 1.597 8.862 -1.592 1.00 0.00 C ATOM 728 NE ARG A 48 1.321 7.850 -0.574 1.00 0.00 N ATOM 729 CZ ARG A 48 0.737 8.107 0.595 1.00 0.00 C ATOM 730 NH1 ARG A 48 0.353 9.341 0.897 1.00 0.00 N ATOM 731 NH2 ARG A 48 0.534 7.127 1.462 1.00 0.00 N ATOM 0 H ARG A 48 2.631 6.991 -6.257 1.00 0.00 H new ATOM 0 HA ARG A 48 4.488 7.329 -4.040 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.504 7.332 -3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.420 6.371 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.656 8.305 -1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 48 3.018 9.299 -3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.802 9.817 -1.108 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.713 9.002 -2.214 1.00 0.00 H new ATOM 0 HE ARG A 48 1.593 6.887 -0.771 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.505 10.099 0.232 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.094 9.531 1.794 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.825 6.176 1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.087 7.323 2.358 1.00 0.00 H new ATOM 745 N CYS A 49 4.881 4.918 -4.446 1.00 0.00 N ATOM 746 CA CYS A 49 5.143 3.491 -4.620 1.00 0.00 C ATOM 747 C CYS A 49 4.334 2.653 -3.641 1.00 0.00 C ATOM 748 O CYS A 49 3.858 1.573 -3.980 1.00 0.00 O ATOM 749 CB CYS A 49 6.632 3.196 -4.426 1.00 0.00 C ATOM 750 SG CYS A 49 7.682 3.664 -5.836 1.00 0.00 S ATOM 0 H CYS A 49 5.708 5.474 -4.229 1.00 0.00 H new ATOM 0 HA CYS A 49 4.844 3.225 -5.634 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.981 3.723 -3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.757 2.130 -4.234 1.00 0.00 H new ATOM 755 N ASP A 50 4.186 3.147 -2.423 1.00 0.00 N ATOM 756 CA ASP A 50 3.444 2.424 -1.402 1.00 0.00 C ATOM 757 C ASP A 50 1.939 2.591 -1.582 1.00 0.00 C ATOM 758 O ASP A 50 1.157 2.005 -0.837 1.00 0.00 O ATOM 759 CB ASP A 50 3.850 2.913 -0.013 1.00 0.00 C ATOM 760 CG ASP A 50 3.545 4.384 0.195 1.00 0.00 C ATOM 761 OD1 ASP A 50 3.688 5.163 -0.772 1.00 0.00 O ATOM 762 OD2 ASP A 50 3.160 4.758 1.323 1.00 0.00 O ATOM 0 H ASP A 50 4.568 4.042 -2.117 1.00 0.00 H new ATOM 0 HA ASP A 50 3.685 1.366 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.328 2.326 0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.917 2.742 0.132 1.00 0.00 H new ATOM 767 N ARG A 51 1.531 3.386 -2.565 1.00 0.00 N ATOM 768 CA ARG A 51 0.116 3.614 -2.802 1.00 0.00 C ATOM 769 C ARG A 51 -0.293 3.186 -4.201 1.00 0.00 C ATOM 770 O ARG A 51 0.091 3.807 -5.190 1.00 0.00 O ATOM 771 CB ARG A 51 -0.226 5.089 -2.591 1.00 0.00 C ATOM 772 CG ARG A 51 -1.716 5.355 -2.462 1.00 0.00 C ATOM 773 CD ARG A 51 -2.034 6.831 -2.648 1.00 0.00 C ATOM 774 NE ARG A 51 -1.951 7.244 -4.050 1.00 0.00 N ATOM 775 CZ ARG A 51 -1.564 8.457 -4.450 1.00 0.00 C ATOM 776 NH1 ARG A 51 -1.216 9.382 -3.563 1.00 0.00 N ATOM 777 NH2 ARG A 51 -1.531 8.747 -5.743 1.00 0.00 N ATOM 0 H ARG A 51 2.156 3.878 -3.204 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.439 3.007 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.277 5.445 -1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.167 5.668 -3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.258 4.768 -3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.062 5.027 -1.482 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.036 7.035 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.341 7.427 -2.054 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.205 6.563 -4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.243 9.168 -2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.922 10.306 -3.879 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.801 8.044 -6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.236 9.674 -6.050 1.00 0.00 H new ATOM 791 N VAL A 52 -1.086 2.128 -4.270 1.00 0.00 N ATOM 792 CA VAL A 52 -1.573 1.622 -5.545 1.00 0.00 C ATOM 793 C VAL A 52 -3.082 1.819 -5.637 1.00 0.00 C ATOM 794 O VAL A 52 -3.834 1.264 -4.838 1.00 0.00 O ATOM 795 CB VAL A 52 -1.231 0.126 -5.727 1.00 0.00 C ATOM 796 CG1 VAL A 52 -1.862 -0.426 -6.997 1.00 0.00 C ATOM 797 CG2 VAL A 52 0.279 -0.076 -5.743 1.00 0.00 C ATOM 0 H VAL A 52 -1.407 1.602 -3.457 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.079 2.181 -6.339 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.644 -0.424 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.606 -1.480 -7.102 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.945 -0.319 -6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.487 0.126 -7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.503 -1.135 -5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.713 0.490 -6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.703 0.272 -4.801 1.00 0.00 H new ATOM 807 N TRP A 53 -3.522 2.616 -6.610 1.00 0.00 N ATOM 808 CA TRP A 53 -4.948 2.886 -6.781 1.00 0.00 C ATOM 809 C TRP A 53 -5.626 1.715 -7.480 1.00 0.00 C ATOM 810 O TRP A 53 -5.169 1.262 -8.530 1.00 0.00 O ATOM 811 CB TRP A 53 -5.177 4.157 -7.621 1.00 0.00 C ATOM 812 CG TRP A 53 -4.952 5.474 -6.922 1.00 0.00 C ATOM 813 CD1 TRP A 53 -4.384 6.596 -7.461 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.308 5.818 -5.582 1.00 0.00 C ATOM 815 NE1 TRP A 53 -4.377 7.616 -6.538 1.00 0.00 N ATOM 816 CE2 TRP A 53 -4.930 7.158 -5.373 1.00 0.00 C ATOM 817 CE3 TRP A 53 -5.908 5.123 -4.541 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -5.136 7.808 -4.160 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -6.112 5.765 -3.338 1.00 0.00 C ATOM 820 CH2 TRP A 53 -5.725 7.096 -3.154 1.00 0.00 C ATOM 0 H TRP A 53 -2.917 3.082 -7.286 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.375 3.030 -5.789 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.520 4.115 -8.490 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -6.201 4.139 -7.995 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.997 6.670 -8.466 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.019 8.558 -6.696 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.211 4.094 -4.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.841 8.837 -4.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -6.579 5.231 -2.524 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.895 7.570 -2.199 1.00 0.00 H new ATOM 831 N VAL A 54 -6.716 1.224 -6.898 1.00 0.00 N ATOM 832 CA VAL A 54 -7.447 0.111 -7.478 1.00 0.00 C ATOM 833 C VAL A 54 -8.855 0.555 -7.868 1.00 0.00 C ATOM 834 O VAL A 54 -9.747 0.635 -7.024 1.00 0.00 O ATOM 835 CB VAL A 54 -7.518 -1.077 -6.495 1.00 0.00 C ATOM 836 CG1 VAL A 54 -8.660 -2.022 -6.848 1.00 0.00 C ATOM 837 CG2 VAL A 54 -6.192 -1.825 -6.470 1.00 0.00 C ATOM 0 H VAL A 54 -7.109 1.581 -6.027 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.915 -0.218 -8.371 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.714 -0.678 -5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.682 -2.848 -6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.606 -1.481 -6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -8.510 -2.414 -7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.258 -2.660 -5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.969 -2.203 -7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.399 -1.149 -6.152 1.00 0.00 H new ATOM 847 N ILE A 55 -9.039 0.855 -9.150 1.00 0.00 N ATOM 848 CA ILE A 55 -10.333 1.301 -9.654 1.00 0.00 C ATOM 849 C ILE A 55 -11.235 0.121 -9.965 1.00 0.00 C ATOM 850 O ILE A 55 -10.889 -0.751 -10.762 1.00 0.00 O ATOM 851 CB ILE A 55 -10.182 2.169 -10.920 1.00 0.00 C ATOM 852 CG1 ILE A 55 -9.018 3.153 -10.762 1.00 0.00 C ATOM 853 CG2 ILE A 55 -11.478 2.911 -11.211 1.00 0.00 C ATOM 854 CD1 ILE A 55 -9.265 4.226 -9.724 1.00 0.00 C ATOM 0 H ILE A 55 -8.308 0.797 -9.859 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.785 1.904 -8.866 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.963 1.515 -11.764 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.119 2.599 -10.492 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.822 3.628 -11.723 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.356 3.519 -12.107 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -12.282 2.192 -11.368 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.726 3.554 -10.367 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.398 4.885 -9.668 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.144 4.806 -10.003 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -9.430 3.761 -8.752 1.00 0.00 H new ATOM 866 N VAL A 56 -12.397 0.101 -9.327 1.00 0.00 N ATOM 867 CA VAL A 56 -13.353 -0.970 -9.532 1.00 0.00 C ATOM 868 C VAL A 56 -14.726 -0.426 -9.910 1.00 0.00 C ATOM 869 O VAL A 56 -14.988 0.775 -9.804 1.00 0.00 O ATOM 870 CB VAL A 56 -13.482 -1.860 -8.276 1.00 0.00 C ATOM 871 CG1 VAL A 56 -12.137 -2.476 -7.908 1.00 0.00 C ATOM 872 CG2 VAL A 56 -14.043 -1.064 -7.107 1.00 0.00 C ATOM 0 H VAL A 56 -12.697 0.816 -8.664 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.974 -1.575 -10.356 1.00 0.00 H new ATOM 0 HB VAL A 56 -14.176 -2.668 -8.505 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.252 -3.098 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.778 -3.087 -8.736 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.417 -1.683 -7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.125 -1.710 -6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.377 -0.231 -6.881 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.029 -0.680 -7.368 1.00 0.00 H new ATOM 882 N ASN A 57 -15.600 -1.321 -10.350 1.00 0.00 N ATOM 883 CA ASN A 57 -16.950 -0.940 -10.746 1.00 0.00 C ATOM 884 C ASN A 57 -17.908 -1.005 -9.561 1.00 0.00 C ATOM 885 O ASN A 57 -17.487 -1.170 -8.416 1.00 0.00 O ATOM 886 CB ASN A 57 -17.447 -1.836 -11.881 1.00 0.00 C ATOM 887 CG ASN A 57 -17.563 -3.291 -11.467 1.00 0.00 C ATOM 888 OD1 ASN A 57 -17.527 -3.618 -10.281 1.00 0.00 O ATOM 889 ND2 ASN A 57 -17.700 -4.174 -12.450 1.00 0.00 N ATOM 0 H ASN A 57 -15.399 -2.317 -10.442 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.919 0.090 -11.101 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -18.420 -1.480 -12.221 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.765 -1.756 -12.727 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -17.780 -5.168 -12.235 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -17.725 -3.858 -13.420 1.00 0.00 H new ATOM 896 N ASP A 58 -19.199 -0.860 -9.843 1.00 0.00 N ATOM 897 CA ASP A 58 -20.220 -0.887 -8.801 1.00 0.00 C ATOM 898 C ASP A 58 -20.251 -2.231 -8.072 1.00 0.00 C ATOM 899 O ASP A 58 -20.797 -2.333 -6.975 1.00 0.00 O ATOM 900 CB ASP A 58 -21.598 -0.592 -9.403 1.00 0.00 C ATOM 901 CG ASP A 58 -22.082 0.805 -9.064 1.00 0.00 C ATOM 902 OD1 ASP A 58 -22.024 1.180 -7.874 1.00 0.00 O ATOM 903 OD2 ASP A 58 -22.519 1.523 -9.988 1.00 0.00 O ATOM 0 H ASP A 58 -19.563 -0.722 -10.786 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.966 -0.116 -8.073 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -21.552 -0.706 -10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.318 -1.324 -9.036 1.00 0.00 H new ATOM 908 N HIS A 59 -19.681 -3.261 -8.690 1.00 0.00 N ATOM 909 CA HIS A 59 -19.666 -4.593 -8.089 1.00 0.00 C ATOM 910 C HIS A 59 -18.337 -4.889 -7.394 1.00 0.00 C ATOM 911 O HIS A 59 -18.167 -5.956 -6.801 1.00 0.00 O ATOM 912 CB HIS A 59 -19.944 -5.654 -9.156 1.00 0.00 C ATOM 913 CG HIS A 59 -21.377 -6.081 -9.204 1.00 0.00 C ATOM 914 ND1 HIS A 59 -21.809 -7.320 -8.782 1.00 0.00 N ATOM 915 CD2 HIS A 59 -22.485 -5.419 -9.613 1.00 0.00 C ATOM 916 CE1 HIS A 59 -23.120 -7.402 -8.928 1.00 0.00 C ATOM 917 NE2 HIS A 59 -23.555 -6.261 -9.430 1.00 0.00 N ATOM 0 H HIS A 59 -19.226 -3.201 -9.601 1.00 0.00 H new ATOM 0 HA HIS A 59 -20.450 -4.621 -7.332 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -19.655 -5.263 -10.132 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -19.318 -6.526 -8.964 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -22.521 -4.415 -10.010 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -23.731 -8.257 -8.679 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -24.527 -6.041 -9.647 1.00 0.00 H new ATOM 926 N GLY A 60 -17.400 -3.948 -7.461 1.00 0.00 N ATOM 927 CA GLY A 60 -16.111 -4.150 -6.827 1.00 0.00 C ATOM 928 C GLY A 60 -15.129 -4.866 -7.733 1.00 0.00 C ATOM 929 O GLY A 60 -14.183 -5.495 -7.260 1.00 0.00 O ATOM 0 H GLY A 60 -17.510 -3.054 -7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.696 -3.185 -6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.245 -4.727 -5.912 1.00 0.00 H new ATOM 933 N VAL A 61 -15.349 -4.762 -9.041 1.00 0.00 N ATOM 934 CA VAL A 61 -14.477 -5.393 -10.021 1.00 0.00 C ATOM 935 C VAL A 61 -13.449 -4.389 -10.523 1.00 0.00 C ATOM 936 O VAL A 61 -13.795 -3.264 -10.864 1.00 0.00 O ATOM 937 CB VAL A 61 -15.286 -5.937 -11.214 1.00 0.00 C ATOM 938 CG1 VAL A 61 -14.404 -6.769 -12.130 1.00 0.00 C ATOM 939 CG2 VAL A 61 -16.477 -6.752 -10.728 1.00 0.00 C ATOM 0 H VAL A 61 -16.128 -4.243 -9.446 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.971 -6.227 -9.535 1.00 0.00 H new ATOM 0 HB VAL A 61 -15.662 -5.088 -11.785 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.997 -7.143 -12.965 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.590 -6.152 -12.510 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.992 -7.610 -11.573 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -17.035 -7.127 -11.586 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -16.123 -7.592 -10.130 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -17.126 -6.121 -10.120 1.00 0.00 H new ATOM 949 N VAL A 62 -12.182 -4.789 -10.548 1.00 0.00 N ATOM 950 CA VAL A 62 -11.117 -3.899 -11.000 1.00 0.00 C ATOM 951 C VAL A 62 -11.188 -3.667 -12.505 1.00 0.00 C ATOM 952 O VAL A 62 -10.964 -4.581 -13.297 1.00 0.00 O ATOM 953 CB VAL A 62 -9.723 -4.450 -10.637 1.00 0.00 C ATOM 954 CG1 VAL A 62 -8.633 -3.461 -11.030 1.00 0.00 C ATOM 955 CG2 VAL A 62 -9.648 -4.772 -9.153 1.00 0.00 C ATOM 0 H VAL A 62 -11.868 -5.717 -10.263 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.266 -2.950 -10.485 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.562 -5.371 -11.197 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.658 -3.870 -10.765 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.672 -3.284 -12.105 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.788 -2.520 -10.502 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.658 -5.160 -8.914 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.832 -3.867 -8.574 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -10.400 -5.521 -8.905 1.00 0.00 H new ATOM 965 N THR A 63 -11.500 -2.433 -12.889 1.00 0.00 N ATOM 966 CA THR A 63 -11.599 -2.073 -14.298 1.00 0.00 C ATOM 967 C THR A 63 -10.306 -1.428 -14.788 1.00 0.00 C ATOM 968 O THR A 63 -9.924 -1.584 -15.949 1.00 0.00 O ATOM 969 CB THR A 63 -12.770 -1.118 -14.527 1.00 0.00 C ATOM 970 OG1 THR A 63 -12.528 0.131 -13.904 1.00 0.00 O ATOM 971 CG2 THR A 63 -14.090 -1.645 -14.002 1.00 0.00 C ATOM 0 H THR A 63 -11.688 -1.666 -12.244 1.00 0.00 H new ATOM 0 HA THR A 63 -11.770 -2.988 -14.865 1.00 0.00 H new ATOM 0 HB THR A 63 -12.846 -1.013 -15.609 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.288 0.729 -14.063 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.877 -0.916 -14.198 1.00 0.00 H new ATOM 0 HG22 THR A 63 -14.332 -2.583 -14.501 1.00 0.00 H new ATOM 0 HG23 THR A 63 -14.013 -1.815 -12.928 1.00 0.00 H new ATOM 979 N SER A 64 -9.639 -0.696 -13.902 1.00 0.00 N ATOM 980 CA SER A 64 -8.394 -0.025 -14.253 1.00 0.00 C ATOM 981 C SER A 64 -7.184 -0.840 -13.810 1.00 0.00 C ATOM 982 O SER A 64 -7.237 -1.565 -12.817 1.00 0.00 O ATOM 983 CB SER A 64 -8.341 1.367 -13.624 1.00 0.00 C ATOM 984 OG SER A 64 -7.358 2.174 -14.249 1.00 0.00 O ATOM 0 H SER A 64 -9.939 -0.553 -12.938 1.00 0.00 H new ATOM 0 HA SER A 64 -8.364 0.072 -15.338 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.317 1.845 -13.710 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.121 1.280 -12.560 1.00 0.00 H new ATOM 0 HG SER A 64 -7.346 3.059 -13.829 1.00 0.00 H new ATOM 990 N VAL A 65 -6.093 -0.704 -14.556 1.00 0.00 N ATOM 991 CA VAL A 65 -4.855 -1.415 -14.257 1.00 0.00 C ATOM 992 C VAL A 65 -4.231 -0.930 -12.947 1.00 0.00 C ATOM 993 O VAL A 65 -3.692 0.175 -12.887 1.00 0.00 O ATOM 994 CB VAL A 65 -3.831 -1.227 -15.384 1.00 0.00 C ATOM 995 CG1 VAL A 65 -2.625 -2.127 -15.173 1.00 0.00 C ATOM 996 CG2 VAL A 65 -4.471 -1.481 -16.741 1.00 0.00 C ATOM 0 H VAL A 65 -6.041 -0.103 -15.378 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.113 -2.470 -14.162 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.486 -0.193 -15.362 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.912 -1.977 -15.984 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.150 -1.882 -14.223 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.946 -3.169 -15.161 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.727 -1.342 -17.526 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.852 -2.502 -16.778 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.293 -0.781 -16.892 1.00 0.00 H new ATOM 1006 N PRO A 66 -4.276 -1.751 -11.882 1.00 0.00 N ATOM 1007 CA PRO A 66 -3.695 -1.385 -10.590 1.00 0.00 C ATOM 1008 C PRO A 66 -2.189 -1.173 -10.692 1.00 0.00 C ATOM 1009 O PRO A 66 -1.432 -2.123 -10.829 1.00 0.00 O ATOM 1010 CB PRO A 66 -4.004 -2.584 -9.681 1.00 0.00 C ATOM 1011 CG PRO A 66 -5.034 -3.391 -10.401 1.00 0.00 C ATOM 1012 CD PRO A 66 -4.872 -3.094 -11.864 1.00 0.00 C ATOM 0 HA PRO A 66 -4.105 -0.448 -10.214 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.107 -3.174 -9.494 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.375 -2.253 -8.711 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.898 -4.455 -10.205 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.036 -3.130 -10.062 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.227 -3.825 -12.352 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.829 -3.115 -12.385 1.00 0.00 H new ATOM 1019 N HIS A 67 -1.764 0.080 -10.645 1.00 0.00 N ATOM 1020 CA HIS A 67 -0.351 0.412 -10.744 1.00 0.00 C ATOM 1021 C HIS A 67 0.071 1.413 -9.674 1.00 0.00 C ATOM 1022 O HIS A 67 -0.695 2.292 -9.280 1.00 0.00 O ATOM 1023 CB HIS A 67 -0.037 0.979 -12.128 1.00 0.00 C ATOM 1024 CG HIS A 67 -0.828 2.205 -12.472 1.00 0.00 C ATOM 1025 ND1 HIS A 67 -0.660 2.901 -13.649 1.00 0.00 N ATOM 1026 CD2 HIS A 67 -1.793 2.865 -11.783 1.00 0.00 C ATOM 1027 CE1 HIS A 67 -1.484 3.934 -13.670 1.00 0.00 C ATOM 1028 NE2 HIS A 67 -2.181 3.934 -12.551 1.00 0.00 N ATOM 0 H HIS A 67 -2.380 0.886 -10.539 1.00 0.00 H new ATOM 0 HA HIS A 67 0.212 -0.508 -10.588 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.025 1.217 -12.181 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.230 0.211 -12.877 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.183 2.599 -10.812 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.572 4.656 -14.469 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.894 4.618 -12.297 1.00 0.00 H new ATOM 1037 N ILE A 68 1.312 1.272 -9.222 1.00 0.00 N ATOM 1038 CA ILE A 68 1.885 2.152 -8.215 1.00 0.00 C ATOM 1039 C ILE A 68 1.619 3.617 -8.564 1.00 0.00 C ATOM 1040 O ILE A 68 2.174 4.156 -9.521 1.00 0.00 O ATOM 1041 CB ILE A 68 3.408 1.876 -8.078 1.00 0.00 C ATOM 1042 CG1 ILE A 68 3.688 1.109 -6.790 1.00 0.00 C ATOM 1043 CG2 ILE A 68 4.236 3.152 -8.121 1.00 0.00 C ATOM 1044 CD1 ILE A 68 5.122 0.641 -6.663 1.00 0.00 C ATOM 0 H ILE A 68 1.948 0.543 -9.545 1.00 0.00 H new ATOM 0 HA ILE A 68 1.409 1.950 -7.255 1.00 0.00 H new ATOM 0 HB ILE A 68 3.705 1.272 -8.935 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.445 1.745 -5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.027 0.244 -6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.293 2.904 -8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.071 3.661 -9.071 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.938 3.807 -7.302 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.247 0.103 -5.723 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.364 -0.021 -7.495 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.789 1.503 -6.680 1.00 0.00 H new ATOM 1056 N THR A 69 0.745 4.243 -7.785 1.00 0.00 N ATOM 1057 CA THR A 69 0.381 5.639 -8.002 1.00 0.00 C ATOM 1058 C THR A 69 -0.158 6.256 -6.718 1.00 0.00 C ATOM 1059 O THR A 69 0.653 6.791 -5.938 1.00 0.00 O ATOM 1060 CB THR A 69 -0.660 5.749 -9.124 1.00 0.00 C ATOM 1061 OG1 THR A 69 -0.071 5.514 -10.395 1.00 0.00 O ATOM 1062 CG2 THR A 69 -1.347 7.098 -9.187 1.00 0.00 C ATOM 1063 OXT THR A 69 -1.388 6.197 -6.502 1.00 0.00 O ATOM 0 H THR A 69 0.273 3.804 -6.994 1.00 0.00 H new ATOM 0 HA THR A 69 1.275 6.187 -8.300 1.00 0.00 H new ATOM 0 HB THR A 69 -1.404 4.989 -8.885 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.800 5.081 -10.277 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.069 7.101 -10.004 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.863 7.288 -8.246 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.604 7.877 -9.357 1.00 0.00 H new TER 1071 THR A 69