USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 675 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 61 LYS NZ :NH3+ -158:sc= -0.525 (180deg=-0.881) USER MOD Set 1.2: A 63 THR OG1 : rot -160:sc= -3.69! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 165:sc= -0.0313 USER MOD Single : A 17 CYS SG : rot 26:sc= 0.724 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -36:sc= 0.284 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.814 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -73:sc= 1.07 USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= -0.088 (180deg=-0.972) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -1.8 K(o=-1.8,f=-3.7!) USER MOD Single : A 66 ASN : amide:sc= -0.146 K(o=-0.15,f=-1.7!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= 0.304 K(o=0.3,f=-2.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 33:sc= 0.231 USER MOD Single : A 85 SER OG : rot 66:sc= 0.779 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 37.716 -11.861 5.727 1.00 0.00 N ATOM 2 CA GLY A -6 36.785 -10.836 6.158 1.00 0.00 C ATOM 3 C GLY A -6 35.610 -10.685 5.213 1.00 0.00 C ATOM 4 O GLY A -6 35.511 -9.696 4.487 1.00 0.00 O ATOM 0 H1 GLY A -6 38.501 -11.925 6.406 1.00 0.00 H new ATOM 0 H2 GLY A -6 37.226 -12.777 5.677 1.00 0.00 H new ATOM 0 H3 GLY A -6 38.090 -11.617 4.788 1.00 0.00 H new ATOM 0 HA2 GLY A -6 36.417 -11.080 7.154 1.00 0.00 H new ATOM 0 HA3 GLY A -6 37.309 -9.883 6.236 1.00 0.00 H new ATOM 8 N SER A -5 34.717 -11.670 5.220 1.00 0.00 N ATOM 9 CA SER A -5 33.545 -11.646 4.352 1.00 0.00 C ATOM 10 C SER A -5 32.262 -11.762 5.169 1.00 0.00 C ATOM 11 O SER A -5 32.242 -12.388 6.228 1.00 0.00 O ATOM 12 CB SER A -5 33.618 -12.781 3.330 1.00 0.00 C ATOM 13 OG SER A -5 32.630 -12.628 2.325 1.00 0.00 O ATOM 0 H SER A -5 34.783 -12.494 5.817 1.00 0.00 H new ATOM 0 HA SER A -5 33.533 -10.692 3.824 1.00 0.00 H new ATOM 0 HB2 SER A -5 34.607 -12.799 2.872 1.00 0.00 H new ATOM 0 HB3 SER A -5 33.483 -13.738 3.834 1.00 0.00 H new ATOM 0 HG SER A -5 32.699 -13.365 1.683 1.00 0.00 H new ATOM 19 N SER A -4 31.191 -11.155 4.667 1.00 0.00 N ATOM 20 CA SER A -4 29.904 -11.186 5.351 1.00 0.00 C ATOM 21 C SER A -4 29.047 -12.343 4.843 1.00 0.00 C ATOM 22 O SER A -4 28.694 -13.246 5.600 1.00 0.00 O ATOM 23 CB SER A -4 29.163 -9.863 5.150 1.00 0.00 C ATOM 24 OG SER A -4 28.120 -9.714 6.097 1.00 0.00 O ATOM 0 H SER A -4 31.189 -10.636 3.789 1.00 0.00 H new ATOM 0 HA SER A -4 30.090 -11.332 6.415 1.00 0.00 H new ATOM 0 HB2 SER A -4 29.863 -9.033 5.242 1.00 0.00 H new ATOM 0 HB3 SER A -4 28.751 -9.823 4.142 1.00 0.00 H new ATOM 0 HG SER A -4 27.663 -8.860 5.949 1.00 0.00 H new ATOM 30 N GLY A -3 28.718 -12.307 3.556 1.00 0.00 N ATOM 31 CA GLY A -3 27.906 -13.357 2.968 1.00 0.00 C ATOM 32 C GLY A -3 27.181 -12.898 1.719 1.00 0.00 C ATOM 33 O GLY A -3 26.664 -11.782 1.667 1.00 0.00 O ATOM 0 H GLY A -3 28.999 -11.570 2.910 1.00 0.00 H new ATOM 0 HA2 GLY A -3 28.540 -14.209 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A -3 27.177 -13.702 3.701 1.00 0.00 H new ATOM 37 N SER A -2 27.143 -13.760 0.708 1.00 0.00 N ATOM 38 CA SER A -2 26.481 -13.436 -0.550 1.00 0.00 C ATOM 39 C SER A -2 25.121 -14.122 -0.641 1.00 0.00 C ATOM 40 O SER A -2 25.036 -15.347 -0.727 1.00 0.00 O ATOM 41 CB SER A -2 27.355 -13.852 -1.734 1.00 0.00 C ATOM 42 OG SER A -2 28.512 -13.038 -1.825 1.00 0.00 O ATOM 0 H SER A -2 27.563 -14.689 0.736 1.00 0.00 H new ATOM 0 HA SER A -2 26.328 -12.357 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A -2 27.649 -14.896 -1.624 1.00 0.00 H new ATOM 0 HB3 SER A -2 26.781 -13.778 -2.658 1.00 0.00 H new ATOM 0 HG SER A -2 29.055 -13.325 -2.589 1.00 0.00 H new ATOM 48 N SER A -1 24.059 -13.322 -0.620 1.00 0.00 N ATOM 49 CA SER A -1 22.703 -13.852 -0.697 1.00 0.00 C ATOM 50 C SER A -1 22.602 -14.937 -1.764 1.00 0.00 C ATOM 51 O SER A -1 22.021 -15.997 -1.536 1.00 0.00 O ATOM 52 CB SER A -1 21.711 -12.728 -1.001 1.00 0.00 C ATOM 53 OG SER A -1 20.434 -13.249 -1.329 1.00 0.00 O ATOM 0 H SER A -1 24.112 -12.306 -0.550 1.00 0.00 H new ATOM 0 HA SER A -1 22.457 -14.294 0.269 1.00 0.00 H new ATOM 0 HB2 SER A -1 21.627 -12.069 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A -1 22.084 -12.123 -1.828 1.00 0.00 H new ATOM 0 HG SER A -1 19.818 -12.511 -1.517 1.00 0.00 H new ATOM 59 N GLY A 1 23.174 -14.663 -2.933 1.00 0.00 N ATOM 60 CA GLY A 1 23.138 -15.625 -4.020 1.00 0.00 C ATOM 61 C GLY A 1 22.530 -15.049 -5.283 1.00 0.00 C ATOM 62 O GLY A 1 21.998 -13.939 -5.292 1.00 0.00 O ATOM 0 H GLY A 1 23.661 -13.793 -3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.151 -15.968 -4.232 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.564 -16.498 -3.710 1.00 0.00 H new ATOM 66 N PRO A 2 22.606 -15.814 -6.383 1.00 0.00 N ATOM 67 CA PRO A 2 22.065 -15.393 -7.678 1.00 0.00 C ATOM 68 C PRO A 2 20.540 -15.361 -7.687 1.00 0.00 C ATOM 69 O PRO A 2 19.875 -16.141 -7.006 1.00 0.00 O ATOM 70 CB PRO A 2 22.583 -16.463 -8.643 1.00 0.00 C ATOM 71 CG PRO A 2 22.803 -17.665 -7.792 1.00 0.00 C ATOM 72 CD PRO A 2 23.225 -17.148 -6.445 1.00 0.00 C ATOM 0 HA PRO A 2 22.372 -14.380 -7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 2 21.861 -16.665 -9.435 1.00 0.00 H new ATOM 0 HB3 PRO A 2 23.507 -16.146 -9.127 1.00 0.00 H new ATOM 0 HG2 PRO A 2 21.893 -18.260 -7.714 1.00 0.00 H new ATOM 0 HG3 PRO A 2 23.570 -18.311 -8.220 1.00 0.00 H new ATOM 0 HD2 PRO A 2 22.873 -17.792 -5.639 1.00 0.00 H new ATOM 0 HD3 PRO A 2 24.310 -17.092 -6.358 1.00 0.00 H new ATOM 80 N PRO A 3 19.972 -14.437 -8.477 1.00 0.00 N ATOM 81 CA PRO A 3 18.519 -14.282 -8.594 1.00 0.00 C ATOM 82 C PRO A 3 17.868 -15.451 -9.326 1.00 0.00 C ATOM 83 O PRO A 3 18.503 -16.115 -10.145 1.00 0.00 O ATOM 84 CB PRO A 3 18.364 -12.992 -9.402 1.00 0.00 C ATOM 85 CG PRO A 3 19.628 -12.880 -10.183 1.00 0.00 C ATOM 86 CD PRO A 3 20.704 -13.474 -9.316 1.00 0.00 C ATOM 0 HA PRO A 3 18.033 -14.251 -7.619 1.00 0.00 H new ATOM 0 HB2 PRO A 3 17.495 -13.038 -10.059 1.00 0.00 H new ATOM 0 HB3 PRO A 3 18.224 -12.130 -8.749 1.00 0.00 H new ATOM 0 HG2 PRO A 3 19.550 -13.414 -11.130 1.00 0.00 H new ATOM 0 HG3 PRO A 3 19.849 -11.840 -10.421 1.00 0.00 H new ATOM 0 HD2 PRO A 3 21.475 -13.964 -9.911 1.00 0.00 H new ATOM 0 HD3 PRO A 3 21.201 -12.713 -8.714 1.00 0.00 H new ATOM 94 N LYS A 4 16.598 -15.698 -9.026 1.00 0.00 N ATOM 95 CA LYS A 4 15.859 -16.785 -9.656 1.00 0.00 C ATOM 96 C LYS A 4 14.717 -16.244 -10.511 1.00 0.00 C ATOM 97 O LYS A 4 13.754 -15.680 -9.992 1.00 0.00 O ATOM 98 CB LYS A 4 15.307 -17.738 -8.594 1.00 0.00 C ATOM 99 CG LYS A 4 16.337 -18.721 -8.065 1.00 0.00 C ATOM 100 CD LYS A 4 17.281 -18.061 -7.073 1.00 0.00 C ATOM 101 CE LYS A 4 17.907 -19.082 -6.136 1.00 0.00 C ATOM 102 NZ LYS A 4 18.505 -18.437 -4.934 1.00 0.00 N ATOM 0 H LYS A 4 16.058 -15.159 -8.349 1.00 0.00 H new ATOM 0 HA LYS A 4 16.547 -17.330 -10.302 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.914 -17.153 -7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.470 -18.294 -9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.830 -19.557 -7.584 1.00 0.00 H new ATOM 0 HG3 LYS A 4 16.910 -19.131 -8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.066 -17.532 -7.613 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.737 -17.317 -6.491 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.150 -19.801 -5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 4 18.676 -19.641 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 18.921 -19.166 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.245 -17.769 -5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.766 -17.925 -4.411 1.00 0.00 H new ATOM 116 N PHE A 5 14.831 -16.421 -11.823 1.00 0.00 N ATOM 117 CA PHE A 5 13.808 -15.951 -12.750 1.00 0.00 C ATOM 118 C PHE A 5 12.888 -17.093 -13.170 1.00 0.00 C ATOM 119 O PHE A 5 13.201 -17.851 -14.088 1.00 0.00 O ATOM 120 CB PHE A 5 14.457 -15.323 -13.985 1.00 0.00 C ATOM 121 CG PHE A 5 13.510 -14.494 -14.804 1.00 0.00 C ATOM 122 CD1 PHE A 5 13.196 -13.199 -14.425 1.00 0.00 C ATOM 123 CD2 PHE A 5 12.934 -15.010 -15.954 1.00 0.00 C ATOM 124 CE1 PHE A 5 12.325 -12.433 -15.177 1.00 0.00 C ATOM 125 CE2 PHE A 5 12.063 -14.249 -16.710 1.00 0.00 C ATOM 126 CZ PHE A 5 11.757 -12.959 -16.320 1.00 0.00 C ATOM 0 H PHE A 5 15.622 -16.887 -12.268 1.00 0.00 H new ATOM 0 HA PHE A 5 13.211 -15.196 -12.239 1.00 0.00 H new ATOM 0 HB2 PHE A 5 15.293 -14.699 -13.669 1.00 0.00 H new ATOM 0 HB3 PHE A 5 14.869 -16.114 -14.611 1.00 0.00 H new ATOM 0 HD1 PHE A 5 13.637 -12.783 -13.531 1.00 0.00 H new ATOM 0 HD2 PHE A 5 13.168 -16.018 -16.263 1.00 0.00 H new ATOM 0 HE1 PHE A 5 12.089 -11.425 -14.871 1.00 0.00 H new ATOM 0 HE2 PHE A 5 11.622 -14.662 -17.605 1.00 0.00 H new ATOM 0 HZ PHE A 5 11.075 -12.363 -16.908 1.00 0.00 H new ATOM 136 N ASP A 6 11.752 -17.210 -12.491 1.00 0.00 N ATOM 137 CA ASP A 6 10.785 -18.259 -12.793 1.00 0.00 C ATOM 138 C ASP A 6 9.359 -17.766 -12.567 1.00 0.00 C ATOM 139 O ASP A 6 9.107 -16.869 -11.762 1.00 0.00 O ATOM 140 CB ASP A 6 11.054 -19.494 -11.930 1.00 0.00 C ATOM 141 CG ASP A 6 12.194 -20.337 -12.466 1.00 0.00 C ATOM 142 OD1 ASP A 6 11.962 -21.113 -13.417 1.00 0.00 O ATOM 143 OD2 ASP A 6 13.318 -20.221 -11.935 1.00 0.00 O ATOM 0 H ASP A 6 11.478 -16.591 -11.728 1.00 0.00 H new ATOM 0 HA ASP A 6 10.895 -18.528 -13.844 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.286 -19.179 -10.913 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.150 -20.101 -11.878 1.00 0.00 H new ATOM 148 N PRO A 7 8.404 -18.364 -13.294 1.00 0.00 N ATOM 149 CA PRO A 7 6.987 -18.001 -13.191 1.00 0.00 C ATOM 150 C PRO A 7 6.376 -18.424 -11.860 1.00 0.00 C ATOM 151 O PRO A 7 5.686 -17.643 -11.207 1.00 0.00 O ATOM 152 CB PRO A 7 6.339 -18.770 -14.345 1.00 0.00 C ATOM 153 CG PRO A 7 7.245 -19.928 -14.585 1.00 0.00 C ATOM 154 CD PRO A 7 8.633 -19.441 -14.273 1.00 0.00 C ATOM 0 HA PRO A 7 6.838 -16.922 -13.242 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.334 -19.101 -14.085 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.249 -18.147 -15.235 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.976 -20.772 -13.950 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.175 -20.271 -15.617 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.254 -20.235 -13.859 1.00 0.00 H new ATOM 0 HD3 PRO A 7 9.140 -19.072 -15.165 1.00 0.00 H new ATOM 162 N ASN A 8 6.635 -19.666 -11.463 1.00 0.00 N ATOM 163 CA ASN A 8 6.109 -20.193 -10.209 1.00 0.00 C ATOM 164 C ASN A 8 6.713 -19.459 -9.015 1.00 0.00 C ATOM 165 O ASN A 8 5.993 -18.976 -8.143 1.00 0.00 O ATOM 166 CB ASN A 8 6.398 -21.692 -10.100 1.00 0.00 C ATOM 167 CG ASN A 8 5.349 -22.425 -9.288 1.00 0.00 C ATOM 168 OD1 ASN A 8 4.969 -21.986 -8.202 1.00 0.00 O ATOM 169 ND2 ASN A 8 4.876 -23.550 -9.811 1.00 0.00 N ATOM 0 H ASN A 8 7.206 -20.326 -11.991 1.00 0.00 H new ATOM 0 HA ASN A 8 5.030 -20.037 -10.202 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.447 -22.124 -11.100 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.376 -21.838 -9.642 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.169 -24.088 -9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.220 -23.877 -10.714 1.00 0.00 H new ATOM 176 N GLU A 9 8.040 -19.381 -8.985 1.00 0.00 N ATOM 177 CA GLU A 9 8.740 -18.706 -7.898 1.00 0.00 C ATOM 178 C GLU A 9 8.098 -17.357 -7.592 1.00 0.00 C ATOM 179 O GLU A 9 7.281 -16.855 -8.365 1.00 0.00 O ATOM 180 CB GLU A 9 10.215 -18.511 -8.256 1.00 0.00 C ATOM 181 CG GLU A 9 11.136 -18.481 -7.047 1.00 0.00 C ATOM 182 CD GLU A 9 10.844 -19.598 -6.064 1.00 0.00 C ATOM 183 OE1 GLU A 9 11.416 -20.696 -6.225 1.00 0.00 O ATOM 184 OE2 GLU A 9 10.044 -19.372 -5.132 1.00 0.00 O ATOM 0 H GLU A 9 8.651 -19.776 -9.700 1.00 0.00 H new ATOM 0 HA GLU A 9 8.668 -19.333 -7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.528 -19.316 -8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.326 -17.579 -8.810 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.171 -18.557 -7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.034 -17.521 -6.541 1.00 0.00 H new ATOM 191 N VAL A 10 8.472 -16.774 -6.457 1.00 0.00 N ATOM 192 CA VAL A 10 7.933 -15.482 -6.048 1.00 0.00 C ATOM 193 C VAL A 10 7.930 -14.495 -7.209 1.00 0.00 C ATOM 194 O VAL A 10 8.898 -14.404 -7.964 1.00 0.00 O ATOM 195 CB VAL A 10 8.739 -14.883 -4.880 1.00 0.00 C ATOM 196 CG1 VAL A 10 8.174 -13.528 -4.481 1.00 0.00 C ATOM 197 CG2 VAL A 10 8.747 -15.836 -3.694 1.00 0.00 C ATOM 0 H VAL A 10 9.146 -17.176 -5.805 1.00 0.00 H new ATOM 0 HA VAL A 10 6.908 -15.655 -5.721 1.00 0.00 H new ATOM 0 HB VAL A 10 9.768 -14.739 -5.208 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.756 -13.120 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.225 -12.848 -5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.135 -13.644 -4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.321 -15.397 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.724 -16.014 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.202 -16.781 -3.990 1.00 0.00 H new ATOM 207 N LYS A 11 6.835 -13.754 -7.346 1.00 0.00 N ATOM 208 CA LYS A 11 6.705 -12.770 -8.414 1.00 0.00 C ATOM 209 C LYS A 11 6.277 -11.416 -7.857 1.00 0.00 C ATOM 210 O LYS A 11 5.216 -11.294 -7.244 1.00 0.00 O ATOM 211 CB LYS A 11 5.692 -13.249 -9.456 1.00 0.00 C ATOM 212 CG LYS A 11 5.705 -12.433 -10.737 1.00 0.00 C ATOM 213 CD LYS A 11 4.975 -13.149 -11.862 1.00 0.00 C ATOM 214 CE LYS A 11 4.878 -12.279 -13.106 1.00 0.00 C ATOM 215 NZ LYS A 11 3.744 -12.686 -13.980 1.00 0.00 N ATOM 0 H LYS A 11 6.024 -13.817 -6.730 1.00 0.00 H new ATOM 0 HA LYS A 11 7.679 -12.656 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.897 -14.292 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.693 -13.213 -9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.238 -11.465 -10.557 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.735 -12.239 -11.036 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.496 -14.075 -12.104 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.974 -13.424 -11.530 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.754 -11.237 -12.812 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.810 -12.343 -13.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.712 -12.069 -14.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.875 -13.673 -14.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.852 -12.601 -13.453 1.00 0.00 H new ATOM 229 N VAL A 12 7.107 -10.402 -8.077 1.00 0.00 N ATOM 230 CA VAL A 12 6.813 -9.056 -7.599 1.00 0.00 C ATOM 231 C VAL A 12 6.314 -8.167 -8.733 1.00 0.00 C ATOM 232 O VAL A 12 6.811 -8.240 -9.857 1.00 0.00 O ATOM 233 CB VAL A 12 8.053 -8.405 -6.958 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.822 -6.917 -6.742 1.00 0.00 C ATOM 235 CG2 VAL A 12 8.399 -9.095 -5.647 1.00 0.00 C ATOM 0 H VAL A 12 7.988 -10.487 -8.583 1.00 0.00 H new ATOM 0 HA VAL A 12 6.031 -9.151 -6.845 1.00 0.00 H new ATOM 0 HB VAL A 12 8.897 -8.523 -7.638 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.708 -6.473 -6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.626 -6.436 -7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.966 -6.774 -6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.278 -8.622 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.559 -9.010 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.609 -10.148 -5.834 1.00 0.00 H new ATOM 245 N VAL A 13 5.329 -7.328 -8.430 1.00 0.00 N ATOM 246 CA VAL A 13 4.763 -6.423 -9.423 1.00 0.00 C ATOM 247 C VAL A 13 4.946 -4.968 -9.009 1.00 0.00 C ATOM 248 O VAL A 13 4.717 -4.607 -7.854 1.00 0.00 O ATOM 249 CB VAL A 13 3.264 -6.698 -9.643 1.00 0.00 C ATOM 250 CG1 VAL A 13 2.676 -5.698 -10.627 1.00 0.00 C ATOM 251 CG2 VAL A 13 3.049 -8.124 -10.128 1.00 0.00 C ATOM 0 H VAL A 13 4.906 -7.256 -7.505 1.00 0.00 H new ATOM 0 HA VAL A 13 5.298 -6.602 -10.355 1.00 0.00 H new ATOM 0 HB VAL A 13 2.748 -6.581 -8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.616 -5.908 -10.770 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.796 -4.688 -10.235 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.194 -5.780 -11.582 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.984 -8.301 -10.278 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.578 -8.272 -11.070 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.431 -8.823 -9.384 1.00 0.00 H new ATOM 261 N TYR A 14 5.361 -4.136 -9.957 1.00 0.00 N ATOM 262 CA TYR A 14 5.577 -2.719 -9.690 1.00 0.00 C ATOM 263 C TYR A 14 4.547 -1.863 -10.422 1.00 0.00 C ATOM 264 O TYR A 14 4.150 -2.173 -11.546 1.00 0.00 O ATOM 265 CB TYR A 14 6.989 -2.309 -10.112 1.00 0.00 C ATOM 266 CG TYR A 14 8.022 -2.488 -9.023 1.00 0.00 C ATOM 267 CD1 TYR A 14 8.159 -3.702 -8.361 1.00 0.00 C ATOM 268 CD2 TYR A 14 8.861 -1.443 -8.654 1.00 0.00 C ATOM 269 CE1 TYR A 14 9.101 -3.870 -7.364 1.00 0.00 C ATOM 270 CE2 TYR A 14 9.806 -1.603 -7.660 1.00 0.00 C ATOM 271 CZ TYR A 14 9.922 -2.818 -7.018 1.00 0.00 C ATOM 272 OH TYR A 14 10.862 -2.980 -6.026 1.00 0.00 O ATOM 0 H TYR A 14 5.555 -4.418 -10.918 1.00 0.00 H new ATOM 0 HA TYR A 14 5.463 -2.556 -8.618 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.284 -2.896 -10.981 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.978 -1.264 -10.422 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.518 -4.529 -8.630 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.772 -0.489 -9.153 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.193 -4.820 -6.859 1.00 0.00 H new ATOM 0 HE2 TYR A 14 10.451 -0.781 -7.387 1.00 0.00 H new ATOM 0 HH TYR A 14 11.508 -2.244 -6.064 1.00 0.00 H new ATOM 282 N LEU A 15 4.118 -0.784 -9.776 1.00 0.00 N ATOM 283 CA LEU A 15 3.135 0.119 -10.364 1.00 0.00 C ATOM 284 C LEU A 15 3.317 1.539 -9.839 1.00 0.00 C ATOM 285 O LEU A 15 3.813 1.743 -8.730 1.00 0.00 O ATOM 286 CB LEU A 15 1.718 -0.371 -10.060 1.00 0.00 C ATOM 287 CG LEU A 15 1.366 -1.767 -10.575 1.00 0.00 C ATOM 288 CD1 LEU A 15 0.081 -2.266 -9.931 1.00 0.00 C ATOM 289 CD2 LEU A 15 1.236 -1.760 -12.091 1.00 0.00 C ATOM 0 H LEU A 15 4.435 -0.513 -8.845 1.00 0.00 H new ATOM 0 HA LEU A 15 3.287 0.128 -11.443 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.574 -0.357 -8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.010 0.340 -10.485 1.00 0.00 H new ATOM 0 HG LEU A 15 2.173 -2.447 -10.303 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.153 -3.261 -10.310 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.209 -2.310 -8.850 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.735 -1.585 -10.172 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.985 -2.762 -12.439 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.449 -1.066 -12.385 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.181 -1.447 -12.536 1.00 0.00 H new ATOM 301 N ARG A 16 2.912 2.518 -10.641 1.00 0.00 N ATOM 302 CA ARG A 16 3.030 3.919 -10.257 1.00 0.00 C ATOM 303 C ARG A 16 1.677 4.482 -9.830 1.00 0.00 C ATOM 304 O ARG A 16 0.727 4.501 -10.613 1.00 0.00 O ATOM 305 CB ARG A 16 3.594 4.742 -11.416 1.00 0.00 C ATOM 306 CG ARG A 16 5.070 4.495 -11.678 1.00 0.00 C ATOM 307 CD ARG A 16 5.294 3.181 -12.411 1.00 0.00 C ATOM 308 NE ARG A 16 6.609 3.124 -13.043 1.00 0.00 N ATOM 309 CZ ARG A 16 7.078 2.049 -13.666 1.00 0.00 C ATOM 310 NH1 ARG A 16 6.344 0.948 -13.741 1.00 0.00 N ATOM 311 NH2 ARG A 16 8.285 2.075 -14.217 1.00 0.00 N ATOM 0 H ARG A 16 2.499 2.366 -11.561 1.00 0.00 H new ATOM 0 HA ARG A 16 3.713 3.981 -9.410 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.030 4.514 -12.320 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.444 5.801 -11.205 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.478 5.316 -12.268 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.611 4.482 -10.732 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.193 2.353 -11.710 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.522 3.053 -13.169 1.00 0.00 H new ATOM 0 HE ARG A 16 7.199 3.955 -13.004 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.416 0.924 -13.319 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.708 0.124 -14.220 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.853 2.921 -14.162 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.645 1.249 -14.695 1.00 0.00 H new ATOM 325 N CYS A 17 1.598 4.937 -8.585 1.00 0.00 N ATOM 326 CA CYS A 17 0.361 5.498 -8.053 1.00 0.00 C ATOM 327 C CYS A 17 0.645 6.409 -6.863 1.00 0.00 C ATOM 328 O CYS A 17 1.741 6.393 -6.302 1.00 0.00 O ATOM 329 CB CYS A 17 -0.595 4.379 -7.638 1.00 0.00 C ATOM 330 SG CYS A 17 -1.436 3.576 -9.022 1.00 0.00 S ATOM 0 H CYS A 17 2.375 4.929 -7.925 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.107 6.092 -8.838 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.037 3.627 -7.080 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.344 4.788 -6.960 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.713 3.692 -10.096 1.00 0.00 H new ATOM 336 N THR A 18 -0.350 7.204 -6.482 1.00 0.00 N ATOM 337 CA THR A 18 -0.207 8.124 -5.361 1.00 0.00 C ATOM 338 C THR A 18 -0.593 7.454 -4.047 1.00 0.00 C ATOM 339 O THR A 18 -1.549 6.681 -3.991 1.00 0.00 O ATOM 340 CB THR A 18 -1.071 9.385 -5.554 1.00 0.00 C ATOM 341 OG1 THR A 18 -0.841 9.941 -6.854 1.00 0.00 O ATOM 342 CG2 THR A 18 -0.757 10.424 -4.489 1.00 0.00 C ATOM 0 H THR A 18 -1.264 7.229 -6.934 1.00 0.00 H new ATOM 0 HA THR A 18 0.843 8.414 -5.323 1.00 0.00 H new ATOM 0 HB THR A 18 -2.119 9.099 -5.462 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.395 10.741 -6.970 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.379 11.305 -4.646 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.960 10.007 -3.503 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.294 10.706 -4.554 1.00 0.00 H new ATOM 350 N GLY A 19 0.156 7.756 -2.991 1.00 0.00 N ATOM 351 CA GLY A 19 -0.125 7.174 -1.692 1.00 0.00 C ATOM 352 C GLY A 19 -1.357 7.772 -1.042 1.00 0.00 C ATOM 353 O GLY A 19 -1.704 8.925 -1.297 1.00 0.00 O ATOM 0 H GLY A 19 0.952 8.393 -3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.262 6.098 -1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.735 7.321 -1.038 1.00 0.00 H new ATOM 357 N GLY A 20 -2.022 6.986 -0.201 1.00 0.00 N ATOM 358 CA GLY A 20 -3.216 7.462 0.472 1.00 0.00 C ATOM 359 C GLY A 20 -4.333 7.795 -0.497 1.00 0.00 C ATOM 360 O GLY A 20 -5.022 8.803 -0.336 1.00 0.00 O ATOM 0 H GLY A 20 -1.755 6.028 0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.562 6.702 1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.971 8.348 1.058 1.00 0.00 H new ATOM 364 N GLU A 21 -4.513 6.948 -1.505 1.00 0.00 N ATOM 365 CA GLU A 21 -5.553 7.160 -2.505 1.00 0.00 C ATOM 366 C GLU A 21 -6.383 5.895 -2.704 1.00 0.00 C ATOM 367 O GLU A 21 -5.949 4.952 -3.365 1.00 0.00 O ATOM 368 CB GLU A 21 -4.933 7.591 -3.835 1.00 0.00 C ATOM 369 CG GLU A 21 -5.954 7.823 -4.936 1.00 0.00 C ATOM 370 CD GLU A 21 -6.937 8.927 -4.598 1.00 0.00 C ATOM 371 OE1 GLU A 21 -6.562 10.112 -4.714 1.00 0.00 O ATOM 372 OE2 GLU A 21 -8.082 8.605 -4.216 1.00 0.00 O ATOM 0 H GLU A 21 -3.952 6.109 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.210 7.952 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.363 8.507 -3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.227 6.828 -4.161 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.435 8.075 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.501 6.898 -5.119 1.00 0.00 H new ATOM 379 N VAL A 22 -7.579 5.882 -2.125 1.00 0.00 N ATOM 380 CA VAL A 22 -8.471 4.734 -2.239 1.00 0.00 C ATOM 381 C VAL A 22 -8.621 4.296 -3.691 1.00 0.00 C ATOM 382 O VAL A 22 -8.808 5.122 -4.583 1.00 0.00 O ATOM 383 CB VAL A 22 -9.865 5.047 -1.662 1.00 0.00 C ATOM 384 CG1 VAL A 22 -10.507 6.203 -2.413 1.00 0.00 C ATOM 385 CG2 VAL A 22 -10.750 3.811 -1.711 1.00 0.00 C ATOM 0 H VAL A 22 -7.953 6.653 -1.572 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.021 3.925 -1.664 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.750 5.343 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.491 6.409 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.880 7.090 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.611 5.940 -3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.731 4.049 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.860 3.483 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -10.294 3.014 -1.124 1.00 0.00 H new ATOM 395 N GLY A 23 -8.538 2.989 -3.921 1.00 0.00 N ATOM 396 CA GLY A 23 -8.667 2.464 -5.268 1.00 0.00 C ATOM 397 C GLY A 23 -10.052 1.913 -5.545 1.00 0.00 C ATOM 398 O GLY A 23 -10.871 1.787 -4.635 1.00 0.00 O ATOM 0 H GLY A 23 -8.384 2.285 -3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.443 3.254 -5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.929 1.677 -5.420 1.00 0.00 H new ATOM 402 N ALA A 24 -10.316 1.587 -6.806 1.00 0.00 N ATOM 403 CA ALA A 24 -11.611 1.047 -7.200 1.00 0.00 C ATOM 404 C ALA A 24 -11.661 -0.464 -6.998 1.00 0.00 C ATOM 405 O ALA A 24 -10.972 -1.217 -7.686 1.00 0.00 O ATOM 406 CB ALA A 24 -11.910 1.397 -8.651 1.00 0.00 C ATOM 0 H ALA A 24 -9.650 1.688 -7.572 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.373 1.498 -6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.880 0.987 -8.932 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.926 2.481 -8.768 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.138 0.974 -9.294 1.00 0.00 H new ATOM 412 N THR A 25 -12.482 -0.902 -6.047 1.00 0.00 N ATOM 413 CA THR A 25 -12.620 -2.323 -5.753 1.00 0.00 C ATOM 414 C THR A 25 -13.536 -3.006 -6.761 1.00 0.00 C ATOM 415 O THR A 25 -13.717 -4.224 -6.725 1.00 0.00 O ATOM 416 CB THR A 25 -13.176 -2.551 -4.335 1.00 0.00 C ATOM 417 OG1 THR A 25 -13.205 -3.951 -4.039 1.00 0.00 O ATOM 418 CG2 THR A 25 -14.576 -1.970 -4.202 1.00 0.00 C ATOM 0 H THR A 25 -13.061 -0.293 -5.468 1.00 0.00 H new ATOM 0 HA THR A 25 -11.623 -2.758 -5.819 1.00 0.00 H new ATOM 0 HB THR A 25 -12.521 -2.044 -3.627 1.00 0.00 H new ATOM 0 HG1 THR A 25 -13.435 -4.452 -4.849 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.947 -2.143 -3.192 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.545 -0.898 -4.398 1.00 0.00 H new ATOM 0 HG23 THR A 25 -15.240 -2.452 -4.920 1.00 0.00 H new ATOM 426 N SER A 26 -14.112 -2.216 -7.662 1.00 0.00 N ATOM 427 CA SER A 26 -15.012 -2.746 -8.679 1.00 0.00 C ATOM 428 C SER A 26 -14.227 -3.331 -9.849 1.00 0.00 C ATOM 429 O SER A 26 -14.682 -4.262 -10.512 1.00 0.00 O ATOM 430 CB SER A 26 -15.952 -1.648 -9.180 1.00 0.00 C ATOM 431 OG SER A 26 -17.008 -1.422 -8.262 1.00 0.00 O ATOM 0 H SER A 26 -13.971 -1.207 -7.708 1.00 0.00 H new ATOM 0 HA SER A 26 -15.603 -3.542 -8.226 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.391 -0.725 -9.329 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.363 -1.931 -10.149 1.00 0.00 H new ATOM 0 HG SER A 26 -17.594 -0.715 -8.605 1.00 0.00 H new ATOM 437 N ALA A 27 -13.043 -2.778 -10.094 1.00 0.00 N ATOM 438 CA ALA A 27 -12.193 -3.245 -11.181 1.00 0.00 C ATOM 439 C ALA A 27 -11.302 -4.396 -10.726 1.00 0.00 C ATOM 440 O ALA A 27 -10.690 -5.083 -11.545 1.00 0.00 O ATOM 441 CB ALA A 27 -11.345 -2.101 -11.718 1.00 0.00 C ATOM 0 H ALA A 27 -12.652 -2.006 -9.554 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.837 -3.612 -11.980 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.715 -2.465 -12.530 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.995 -1.310 -12.090 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.716 -1.708 -10.919 1.00 0.00 H new ATOM 447 N LEU A 28 -11.234 -4.602 -9.415 1.00 0.00 N ATOM 448 CA LEU A 28 -10.417 -5.671 -8.850 1.00 0.00 C ATOM 449 C LEU A 28 -11.254 -6.921 -8.599 1.00 0.00 C ATOM 450 O LEU A 28 -10.717 -8.011 -8.405 1.00 0.00 O ATOM 451 CB LEU A 28 -9.768 -5.207 -7.545 1.00 0.00 C ATOM 452 CG LEU A 28 -8.863 -3.979 -7.645 1.00 0.00 C ATOM 453 CD1 LEU A 28 -8.574 -3.416 -6.262 1.00 0.00 C ATOM 454 CD2 LEU A 28 -7.567 -4.329 -8.362 1.00 0.00 C ATOM 0 H LEU A 28 -11.734 -4.043 -8.724 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.636 -5.918 -9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.558 -4.993 -6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.183 -6.033 -7.140 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.381 -3.215 -8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.928 -2.542 -6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.510 -3.128 -5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.076 -4.174 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.935 -3.443 -8.424 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.045 -5.109 -7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.792 -4.685 -9.367 1.00 0.00 H new ATOM 466 N ALA A 29 -12.573 -6.756 -8.607 1.00 0.00 N ATOM 467 CA ALA A 29 -13.484 -7.871 -8.385 1.00 0.00 C ATOM 468 C ALA A 29 -13.128 -9.057 -9.275 1.00 0.00 C ATOM 469 O ALA A 29 -12.869 -10.164 -8.802 1.00 0.00 O ATOM 470 CB ALA A 29 -14.921 -7.436 -8.632 1.00 0.00 C ATOM 0 H ALA A 29 -13.034 -5.860 -8.765 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.385 -8.187 -7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.591 -8.279 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.178 -6.626 -7.950 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.025 -7.091 -9.661 1.00 0.00 H new ATOM 476 N PRO A 30 -13.114 -8.824 -10.596 1.00 0.00 N ATOM 477 CA PRO A 30 -12.791 -9.861 -11.580 1.00 0.00 C ATOM 478 C PRO A 30 -11.321 -10.263 -11.536 1.00 0.00 C ATOM 479 O PRO A 30 -10.961 -11.383 -11.902 1.00 0.00 O ATOM 480 CB PRO A 30 -13.124 -9.197 -12.918 1.00 0.00 C ATOM 481 CG PRO A 30 -12.992 -7.736 -12.659 1.00 0.00 C ATOM 482 CD PRO A 30 -13.412 -7.529 -11.230 1.00 0.00 C ATOM 0 HA PRO A 30 -13.344 -10.783 -11.397 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.441 -9.523 -13.703 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -14.132 -9.451 -13.246 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.966 -7.403 -12.816 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.622 -7.161 -13.338 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.858 -6.715 -10.762 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.470 -7.279 -11.154 1.00 0.00 H new ATOM 490 N LYS A 31 -10.473 -9.344 -11.086 1.00 0.00 N ATOM 491 CA LYS A 31 -9.041 -9.603 -10.992 1.00 0.00 C ATOM 492 C LYS A 31 -8.745 -10.636 -9.911 1.00 0.00 C ATOM 493 O LYS A 31 -7.976 -11.573 -10.129 1.00 0.00 O ATOM 494 CB LYS A 31 -8.286 -8.306 -10.694 1.00 0.00 C ATOM 495 CG LYS A 31 -8.099 -7.417 -11.911 1.00 0.00 C ATOM 496 CD LYS A 31 -6.973 -6.417 -11.704 1.00 0.00 C ATOM 497 CE LYS A 31 -6.927 -5.390 -12.824 1.00 0.00 C ATOM 498 NZ LYS A 31 -5.845 -4.388 -12.615 1.00 0.00 N ATOM 0 H LYS A 31 -10.753 -8.412 -10.780 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.705 -10.000 -11.950 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.825 -7.749 -9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.308 -8.552 -10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.883 -8.034 -12.783 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.027 -6.884 -12.119 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.107 -5.909 -10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.021 -6.945 -11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.772 -5.898 -13.776 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.888 -4.879 -12.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.847 -3.706 -13.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.006 -3.885 -11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.925 -4.872 -12.580 1.00 0.00 H new ATOM 512 N ILE A 32 -9.360 -10.461 -8.746 1.00 0.00 N ATOM 513 CA ILE A 32 -9.164 -11.380 -7.633 1.00 0.00 C ATOM 514 C ILE A 32 -10.292 -12.404 -7.559 1.00 0.00 C ATOM 515 O ILE A 32 -10.392 -13.164 -6.597 1.00 0.00 O ATOM 516 CB ILE A 32 -9.078 -10.629 -6.291 1.00 0.00 C ATOM 517 CG1 ILE A 32 -8.002 -9.544 -6.356 1.00 0.00 C ATOM 518 CG2 ILE A 32 -8.789 -11.602 -5.157 1.00 0.00 C ATOM 519 CD1 ILE A 32 -8.030 -8.593 -5.181 1.00 0.00 C ATOM 0 H ILE A 32 -9.999 -9.690 -8.549 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.221 -11.896 -7.813 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.038 -10.150 -6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.022 -10.018 -6.405 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.127 -8.974 -7.277 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.731 -11.056 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.588 -12.341 -5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.841 -12.106 -5.343 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.240 -7.851 -5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -8.997 -8.091 -5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.874 -9.151 -4.258 1.00 0.00 H new ATOM 531 N GLY A 33 -11.139 -12.418 -8.583 1.00 0.00 N ATOM 532 CA GLY A 33 -12.248 -13.353 -8.616 1.00 0.00 C ATOM 533 C GLY A 33 -11.790 -14.797 -8.569 1.00 0.00 C ATOM 534 O GLY A 33 -12.143 -15.553 -7.663 1.00 0.00 O ATOM 0 H GLY A 33 -11.077 -11.798 -9.391 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.910 -13.157 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.831 -13.189 -9.523 1.00 0.00 H new ATOM 538 N PRO A 34 -10.986 -15.201 -9.564 1.00 0.00 N ATOM 539 CA PRO A 34 -10.464 -16.567 -9.655 1.00 0.00 C ATOM 540 C PRO A 34 -9.434 -16.867 -8.571 1.00 0.00 C ATOM 541 O PRO A 34 -9.240 -18.022 -8.187 1.00 0.00 O ATOM 542 CB PRO A 34 -9.809 -16.605 -11.039 1.00 0.00 C ATOM 543 CG PRO A 34 -9.459 -15.187 -11.331 1.00 0.00 C ATOM 544 CD PRO A 34 -10.526 -14.353 -10.677 1.00 0.00 C ATOM 0 HA PRO A 34 -11.247 -17.313 -9.518 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.923 -17.240 -11.040 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.490 -17.007 -11.789 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.474 -14.939 -10.936 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.427 -15.006 -12.405 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.131 -13.402 -10.321 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.336 -14.123 -11.369 1.00 0.00 H new ATOM 552 N LEU A 35 -8.777 -15.823 -8.080 1.00 0.00 N ATOM 553 CA LEU A 35 -7.767 -15.975 -7.038 1.00 0.00 C ATOM 554 C LEU A 35 -8.381 -16.545 -5.764 1.00 0.00 C ATOM 555 O LEU A 35 -7.934 -17.570 -5.252 1.00 0.00 O ATOM 556 CB LEU A 35 -7.106 -14.628 -6.741 1.00 0.00 C ATOM 557 CG LEU A 35 -5.877 -14.283 -7.583 1.00 0.00 C ATOM 558 CD1 LEU A 35 -6.261 -14.119 -9.045 1.00 0.00 C ATOM 559 CD2 LEU A 35 -5.210 -13.020 -7.060 1.00 0.00 C ATOM 0 H LEU A 35 -8.925 -14.861 -8.386 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.011 -16.672 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.849 -13.843 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.818 -14.611 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.165 -15.105 -7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.374 -13.874 -9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.693 -15.049 -9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.992 -13.316 -9.141 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.337 -12.790 -7.671 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.915 -12.190 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.899 -13.174 -6.027 1.00 0.00 H new ATOM 571 N GLY A 36 -9.411 -15.874 -5.257 1.00 0.00 N ATOM 572 CA GLY A 36 -10.072 -16.330 -4.048 1.00 0.00 C ATOM 573 C GLY A 36 -10.222 -15.228 -3.018 1.00 0.00 C ATOM 574 O GLY A 36 -11.325 -14.962 -2.539 1.00 0.00 O ATOM 0 H GLY A 36 -9.800 -15.022 -5.662 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.057 -16.722 -4.302 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.503 -17.153 -3.615 1.00 0.00 H new ATOM 578 N LEU A 37 -9.111 -14.585 -2.676 1.00 0.00 N ATOM 579 CA LEU A 37 -9.123 -13.506 -1.694 1.00 0.00 C ATOM 580 C LEU A 37 -10.156 -12.446 -2.063 1.00 0.00 C ATOM 581 O LEU A 37 -10.903 -12.603 -3.029 1.00 0.00 O ATOM 582 CB LEU A 37 -7.736 -12.868 -1.591 1.00 0.00 C ATOM 583 CG LEU A 37 -6.759 -13.540 -0.626 1.00 0.00 C ATOM 584 CD1 LEU A 37 -6.232 -14.838 -1.218 1.00 0.00 C ATOM 585 CD2 LEU A 37 -5.610 -12.600 -0.291 1.00 0.00 C ATOM 0 H LEU A 37 -8.191 -14.792 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.394 -13.931 -0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.287 -12.860 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.858 -11.828 -1.288 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.292 -13.775 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.538 -15.302 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.064 -15.516 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.715 -14.627 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.924 -13.094 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.079 -12.335 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.003 -11.697 0.175 1.00 0.00 H new ATOM 597 N SER A 38 -10.191 -11.367 -1.288 1.00 0.00 N ATOM 598 CA SER A 38 -11.134 -10.281 -1.533 1.00 0.00 C ATOM 599 C SER A 38 -10.397 -8.981 -1.840 1.00 0.00 C ATOM 600 O SER A 38 -9.353 -8.678 -1.263 1.00 0.00 O ATOM 601 CB SER A 38 -12.047 -10.088 -0.321 1.00 0.00 C ATOM 602 OG SER A 38 -13.291 -9.528 -0.704 1.00 0.00 O ATOM 0 H SER A 38 -9.578 -11.221 -0.486 1.00 0.00 H new ATOM 0 HA SER A 38 -11.741 -10.548 -2.398 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.212 -11.047 0.170 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.560 -9.437 0.405 1.00 0.00 H new ATOM 0 HG SER A 38 -13.857 -9.416 0.088 1.00 0.00 H new ATOM 608 N PRO A 39 -10.954 -8.193 -2.772 1.00 0.00 N ATOM 609 CA PRO A 39 -10.368 -6.912 -3.178 1.00 0.00 C ATOM 610 C PRO A 39 -10.469 -5.855 -2.083 1.00 0.00 C ATOM 611 O PRO A 39 -9.661 -4.928 -2.024 1.00 0.00 O ATOM 612 CB PRO A 39 -11.208 -6.506 -4.392 1.00 0.00 C ATOM 613 CG PRO A 39 -12.514 -7.196 -4.196 1.00 0.00 C ATOM 614 CD PRO A 39 -12.198 -8.491 -3.500 1.00 0.00 C ATOM 0 HA PRO A 39 -9.303 -7.001 -3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.335 -5.425 -4.442 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.733 -6.814 -5.323 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.191 -6.587 -3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.007 -7.377 -5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.998 -8.789 -2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.062 -9.306 -4.211 1.00 0.00 H new ATOM 622 N LYS A 40 -11.466 -6.000 -1.217 1.00 0.00 N ATOM 623 CA LYS A 40 -11.673 -5.060 -0.123 1.00 0.00 C ATOM 624 C LYS A 40 -10.545 -5.158 0.899 1.00 0.00 C ATOM 625 O LYS A 40 -9.896 -4.162 1.220 1.00 0.00 O ATOM 626 CB LYS A 40 -13.017 -5.326 0.559 1.00 0.00 C ATOM 627 CG LYS A 40 -13.482 -4.188 1.451 1.00 0.00 C ATOM 628 CD LYS A 40 -14.996 -4.170 1.588 1.00 0.00 C ATOM 629 CE LYS A 40 -15.452 -3.122 2.591 1.00 0.00 C ATOM 630 NZ LYS A 40 -16.896 -3.266 2.926 1.00 0.00 N ATOM 0 H LYS A 40 -12.144 -6.761 -1.252 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.677 -4.053 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.773 -5.510 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.939 -6.235 1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.028 -4.288 2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.142 -3.238 1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.448 -3.967 0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.346 -5.153 1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.858 -3.207 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -15.271 -2.127 2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.168 -2.533 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.465 -3.159 2.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.065 -4.206 3.338 1.00 0.00 H new ATOM 644 N LYS A 41 -10.314 -6.364 1.406 1.00 0.00 N ATOM 645 CA LYS A 41 -9.262 -6.593 2.389 1.00 0.00 C ATOM 646 C LYS A 41 -7.899 -6.199 1.830 1.00 0.00 C ATOM 647 O LYS A 41 -7.121 -5.512 2.491 1.00 0.00 O ATOM 648 CB LYS A 41 -9.245 -8.063 2.814 1.00 0.00 C ATOM 649 CG LYS A 41 -10.432 -8.461 3.675 1.00 0.00 C ATOM 650 CD LYS A 41 -10.277 -7.965 5.103 1.00 0.00 C ATOM 651 CE LYS A 41 -9.422 -8.911 5.932 1.00 0.00 C ATOM 652 NZ LYS A 41 -9.642 -8.721 7.392 1.00 0.00 N ATOM 0 H LYS A 41 -10.842 -7.199 1.152 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.471 -5.971 3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.227 -8.690 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.325 -8.263 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.347 -8.054 3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.535 -9.546 3.675 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.824 -6.974 5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.260 -7.864 5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.653 -9.941 5.661 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.370 -8.748 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.041 -9.384 7.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.398 -7.745 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.641 -8.901 7.619 1.00 0.00 H new ATOM 666 N VAL A 42 -7.617 -6.638 0.607 1.00 0.00 N ATOM 667 CA VAL A 42 -6.349 -6.329 -0.043 1.00 0.00 C ATOM 668 C VAL A 42 -6.254 -4.846 -0.386 1.00 0.00 C ATOM 669 O VAL A 42 -5.223 -4.212 -0.168 1.00 0.00 O ATOM 670 CB VAL A 42 -6.161 -7.155 -1.329 1.00 0.00 C ATOM 671 CG1 VAL A 42 -4.912 -6.708 -2.073 1.00 0.00 C ATOM 672 CG2 VAL A 42 -6.095 -8.639 -1.003 1.00 0.00 C ATOM 0 H VAL A 42 -8.250 -7.209 0.047 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.560 -6.587 0.664 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.021 -6.987 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.796 -7.303 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.005 -5.655 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.039 -6.845 -1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.962 -9.208 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.255 -8.828 -0.335 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.021 -8.946 -0.517 1.00 0.00 H new ATOM 682 N GLY A 43 -7.340 -4.298 -0.923 1.00 0.00 N ATOM 683 CA GLY A 43 -7.359 -2.893 -1.288 1.00 0.00 C ATOM 684 C GLY A 43 -7.180 -1.981 -0.090 1.00 0.00 C ATOM 685 O GLY A 43 -6.427 -1.009 -0.149 1.00 0.00 O ATOM 0 H GLY A 43 -8.207 -4.802 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.567 -2.698 -2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.304 -2.661 -1.780 1.00 0.00 H new ATOM 689 N ASP A 44 -7.874 -2.294 0.998 1.00 0.00 N ATOM 690 CA ASP A 44 -7.789 -1.495 2.215 1.00 0.00 C ATOM 691 C ASP A 44 -6.390 -1.570 2.818 1.00 0.00 C ATOM 692 O ASP A 44 -5.870 -0.578 3.330 1.00 0.00 O ATOM 693 CB ASP A 44 -8.824 -1.970 3.236 1.00 0.00 C ATOM 694 CG ASP A 44 -9.047 -0.962 4.347 1.00 0.00 C ATOM 695 OD1 ASP A 44 -9.168 0.242 4.039 1.00 0.00 O ATOM 696 OD2 ASP A 44 -9.098 -1.377 5.524 1.00 0.00 O ATOM 0 H ASP A 44 -8.502 -3.095 1.063 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.997 -0.457 1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.769 -2.162 2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.497 -2.916 3.668 1.00 0.00 H new ATOM 701 N ASP A 45 -5.787 -2.752 2.754 1.00 0.00 N ATOM 702 CA ASP A 45 -4.448 -2.957 3.293 1.00 0.00 C ATOM 703 C ASP A 45 -3.442 -2.028 2.620 1.00 0.00 C ATOM 704 O ASP A 45 -2.555 -1.479 3.273 1.00 0.00 O ATOM 705 CB ASP A 45 -4.018 -4.413 3.110 1.00 0.00 C ATOM 706 CG ASP A 45 -4.456 -5.296 4.262 1.00 0.00 C ATOM 707 OD1 ASP A 45 -4.083 -4.993 5.415 1.00 0.00 O ATOM 708 OD2 ASP A 45 -5.170 -6.289 4.011 1.00 0.00 O ATOM 0 H ASP A 45 -6.204 -3.583 2.334 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.473 -2.725 4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.438 -4.799 2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.933 -4.459 3.013 1.00 0.00 H new ATOM 713 N ILE A 46 -3.587 -1.859 1.310 1.00 0.00 N ATOM 714 CA ILE A 46 -2.692 -0.997 0.548 1.00 0.00 C ATOM 715 C ILE A 46 -2.795 0.452 1.013 1.00 0.00 C ATOM 716 O ILE A 46 -1.786 1.140 1.162 1.00 0.00 O ATOM 717 CB ILE A 46 -2.995 -1.063 -0.961 1.00 0.00 C ATOM 718 CG1 ILE A 46 -2.854 -2.499 -1.469 1.00 0.00 C ATOM 719 CG2 ILE A 46 -2.070 -0.130 -1.728 1.00 0.00 C ATOM 720 CD1 ILE A 46 -3.731 -2.806 -2.663 1.00 0.00 C ATOM 0 H ILE A 46 -4.315 -2.307 0.754 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.680 -1.361 0.723 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.023 -0.739 -1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.813 -2.681 -1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.100 -3.188 -0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.296 -0.188 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.216 0.893 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.034 -0.426 -1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.579 -3.841 -2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.777 -2.657 -2.394 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.470 -2.142 -3.487 1.00 0.00 H new ATOM 732 N ALA A 47 -4.022 0.907 1.243 1.00 0.00 N ATOM 733 CA ALA A 47 -4.258 2.273 1.695 1.00 0.00 C ATOM 734 C ALA A 47 -3.621 2.517 3.059 1.00 0.00 C ATOM 735 O ALA A 47 -2.994 3.552 3.287 1.00 0.00 O ATOM 736 CB ALA A 47 -5.751 2.561 1.748 1.00 0.00 C ATOM 0 H ALA A 47 -4.868 0.350 1.124 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.794 2.952 0.980 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.912 3.584 2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.181 2.436 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.231 1.869 2.441 1.00 0.00 H new ATOM 742 N LYS A 48 -3.787 1.558 3.964 1.00 0.00 N ATOM 743 CA LYS A 48 -3.228 1.668 5.306 1.00 0.00 C ATOM 744 C LYS A 48 -1.712 1.823 5.254 1.00 0.00 C ATOM 745 O LYS A 48 -1.145 2.702 5.902 1.00 0.00 O ATOM 746 CB LYS A 48 -3.597 0.436 6.137 1.00 0.00 C ATOM 747 CG LYS A 48 -2.910 0.388 7.491 1.00 0.00 C ATOM 748 CD LYS A 48 -3.652 -0.517 8.460 1.00 0.00 C ATOM 749 CE LYS A 48 -3.018 -0.492 9.842 1.00 0.00 C ATOM 750 NZ LYS A 48 -3.701 -1.423 10.783 1.00 0.00 N ATOM 0 H LYS A 48 -4.304 0.696 3.792 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.650 2.556 5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.677 0.419 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.338 -0.462 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.887 0.031 7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.849 1.394 7.905 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.693 -0.201 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.654 -1.538 8.078 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.965 -0.763 9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.057 0.521 10.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.239 -1.377 11.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.700 -1.150 10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.641 -2.394 10.415 1.00 0.00 H new ATOM 764 N ALA A 49 -1.060 0.964 4.476 1.00 0.00 N ATOM 765 CA ALA A 49 0.390 1.008 4.336 1.00 0.00 C ATOM 766 C ALA A 49 0.846 2.347 3.768 1.00 0.00 C ATOM 767 O ALA A 49 1.828 2.928 4.231 1.00 0.00 O ATOM 768 CB ALA A 49 0.870 -0.134 3.452 1.00 0.00 C ATOM 0 H ALA A 49 -1.514 0.229 3.933 1.00 0.00 H new ATOM 0 HA ALA A 49 0.830 0.895 5.327 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.955 -0.089 3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.585 -1.086 3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.415 -0.047 2.466 1.00 0.00 H new ATOM 774 N THR A 50 0.127 2.833 2.761 1.00 0.00 N ATOM 775 CA THR A 50 0.459 4.103 2.128 1.00 0.00 C ATOM 776 C THR A 50 -0.259 5.262 2.810 1.00 0.00 C ATOM 777 O THR A 50 -0.476 6.312 2.207 1.00 0.00 O ATOM 778 CB THR A 50 0.095 4.098 0.631 1.00 0.00 C ATOM 779 OG1 THR A 50 -1.300 3.819 0.468 1.00 0.00 O ATOM 780 CG2 THR A 50 0.916 3.061 -0.121 1.00 0.00 C ATOM 0 H THR A 50 -0.689 2.366 2.366 1.00 0.00 H new ATOM 0 HA THR A 50 1.536 4.235 2.232 1.00 0.00 H new ATOM 0 HB THR A 50 0.319 5.083 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.469 2.873 0.661 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.642 3.075 -1.176 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.976 3.292 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.719 2.072 0.292 1.00 0.00 H new ATOM 788 N GLY A 51 -0.627 5.064 4.072 1.00 0.00 N ATOM 789 CA GLY A 51 -1.317 6.102 4.815 1.00 0.00 C ATOM 790 C GLY A 51 -0.422 7.284 5.128 1.00 0.00 C ATOM 791 O GLY A 51 -0.873 8.429 5.132 1.00 0.00 O ATOM 0 H GLY A 51 -0.460 4.203 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.178 6.444 4.241 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.701 5.684 5.746 1.00 0.00 H new ATOM 795 N ASP A 52 0.850 7.007 5.392 1.00 0.00 N ATOM 796 CA ASP A 52 1.812 8.057 5.709 1.00 0.00 C ATOM 797 C ASP A 52 2.202 8.832 4.454 1.00 0.00 C ATOM 798 O ASP A 52 2.683 9.962 4.536 1.00 0.00 O ATOM 799 CB ASP A 52 3.058 7.457 6.361 1.00 0.00 C ATOM 800 CG ASP A 52 2.763 6.839 7.714 1.00 0.00 C ATOM 801 OD1 ASP A 52 1.958 7.423 8.469 1.00 0.00 O ATOM 802 OD2 ASP A 52 3.339 5.773 8.018 1.00 0.00 O ATOM 0 H ASP A 52 1.239 6.064 5.393 1.00 0.00 H new ATOM 0 HA ASP A 52 1.342 8.747 6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.479 6.698 5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.814 8.234 6.477 1.00 0.00 H new ATOM 807 N TRP A 53 1.993 8.217 3.296 1.00 0.00 N ATOM 808 CA TRP A 53 2.324 8.849 2.024 1.00 0.00 C ATOM 809 C TRP A 53 1.104 9.540 1.426 1.00 0.00 C ATOM 810 O TRP A 53 0.946 9.597 0.206 1.00 0.00 O ATOM 811 CB TRP A 53 2.870 7.811 1.042 1.00 0.00 C ATOM 812 CG TRP A 53 4.309 7.465 1.282 1.00 0.00 C ATOM 813 CD1 TRP A 53 5.371 7.778 0.484 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.841 6.739 2.395 1.00 0.00 C ATOM 815 NE1 TRP A 53 6.532 7.290 1.033 1.00 0.00 N ATOM 816 CE2 TRP A 53 6.234 6.649 2.206 1.00 0.00 C ATOM 817 CE3 TRP A 53 4.277 6.157 3.534 1.00 0.00 C ATOM 818 CZ2 TRP A 53 7.068 6.000 3.113 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.106 5.514 4.433 1.00 0.00 C ATOM 820 CH2 TRP A 53 6.489 5.440 4.219 1.00 0.00 C ATOM 0 H TRP A 53 1.596 7.281 3.211 1.00 0.00 H new ATOM 0 HA TRP A 53 3.090 9.602 2.209 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.269 6.904 1.112 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.759 8.189 0.026 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.308 8.329 -0.443 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.465 7.389 0.632 1.00 0.00 H new ATOM 0 HE3 TRP A 53 3.212 6.209 3.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.134 5.941 2.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 4.681 5.060 5.316 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.110 4.931 4.941 1.00 0.00 H new ATOM 831 N LYS A 54 0.244 10.066 2.291 1.00 0.00 N ATOM 832 CA LYS A 54 -0.962 10.755 1.848 1.00 0.00 C ATOM 833 C LYS A 54 -0.612 12.028 1.084 1.00 0.00 C ATOM 834 O LYS A 54 -0.509 13.106 1.668 1.00 0.00 O ATOM 835 CB LYS A 54 -1.849 11.096 3.048 1.00 0.00 C ATOM 836 CG LYS A 54 -3.263 11.497 2.665 1.00 0.00 C ATOM 837 CD LYS A 54 -4.202 11.440 3.858 1.00 0.00 C ATOM 838 CE LYS A 54 -4.832 10.063 4.007 1.00 0.00 C ATOM 839 NZ LYS A 54 -3.998 9.160 4.848 1.00 0.00 N ATOM 0 H LYS A 54 0.360 10.028 3.304 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.506 10.088 1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.893 10.234 3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.389 11.909 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.257 12.506 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.630 10.835 1.880 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.654 11.690 4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.985 12.189 3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.822 10.163 4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.969 9.618 3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.608 8.459 5.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.304 8.670 4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.499 9.720 5.569 1.00 0.00 H new ATOM 853 N GLY A 55 -0.431 11.895 -0.227 1.00 0.00 N ATOM 854 CA GLY A 55 -0.095 13.043 -1.049 1.00 0.00 C ATOM 855 C GLY A 55 1.237 12.881 -1.754 1.00 0.00 C ATOM 856 O GLY A 55 1.470 13.484 -2.803 1.00 0.00 O ATOM 0 H GLY A 55 -0.511 11.013 -0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.879 13.197 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.066 13.937 -0.425 1.00 0.00 H new ATOM 860 N LEU A 56 2.114 12.067 -1.179 1.00 0.00 N ATOM 861 CA LEU A 56 3.432 11.829 -1.758 1.00 0.00 C ATOM 862 C LEU A 56 3.392 10.661 -2.739 1.00 0.00 C ATOM 863 O LEU A 56 2.868 9.592 -2.426 1.00 0.00 O ATOM 864 CB LEU A 56 4.453 11.548 -0.654 1.00 0.00 C ATOM 865 CG LEU A 56 4.651 12.660 0.376 1.00 0.00 C ATOM 866 CD1 LEU A 56 3.642 12.528 1.506 1.00 0.00 C ATOM 867 CD2 LEU A 56 6.072 12.635 0.921 1.00 0.00 C ATOM 0 H LEU A 56 1.937 11.560 -0.312 1.00 0.00 H new ATOM 0 HA LEU A 56 3.731 12.726 -2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.150 10.643 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.415 11.338 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 56 4.489 13.618 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.799 13.328 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.632 12.597 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.771 11.564 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.195 13.433 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.262 11.673 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.778 12.780 0.103 1.00 0.00 H new ATOM 879 N ARG A 57 3.951 10.873 -3.926 1.00 0.00 N ATOM 880 CA ARG A 57 3.980 9.838 -4.952 1.00 0.00 C ATOM 881 C ARG A 57 5.142 8.877 -4.722 1.00 0.00 C ATOM 882 O ARG A 57 6.290 9.298 -4.577 1.00 0.00 O ATOM 883 CB ARG A 57 4.095 10.470 -6.341 1.00 0.00 C ATOM 884 CG ARG A 57 4.055 9.459 -7.475 1.00 0.00 C ATOM 885 CD ARG A 57 3.482 10.070 -8.745 1.00 0.00 C ATOM 886 NE ARG A 57 4.518 10.678 -9.575 1.00 0.00 N ATOM 887 CZ ARG A 57 4.260 11.496 -10.590 1.00 0.00 C ATOM 888 NH1 ARG A 57 3.007 11.802 -10.897 1.00 0.00 N ATOM 889 NH2 ARG A 57 5.257 12.011 -11.298 1.00 0.00 N ATOM 0 H ARG A 57 4.390 11.752 -4.201 1.00 0.00 H new ATOM 0 HA ARG A 57 3.048 9.276 -4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.283 11.185 -6.474 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.027 11.032 -6.399 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.062 9.089 -7.670 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.452 8.601 -7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.965 9.299 -9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.740 10.823 -8.482 1.00 0.00 H new ATOM 0 HE ARG A 57 5.493 10.463 -9.364 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.238 11.409 -10.354 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.812 12.430 -11.677 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.222 11.779 -11.063 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.058 12.639 -12.077 1.00 0.00 H new ATOM 903 N ILE A 58 4.836 7.584 -4.688 1.00 0.00 N ATOM 904 CA ILE A 58 5.855 6.563 -4.476 1.00 0.00 C ATOM 905 C ILE A 58 5.491 5.266 -5.190 1.00 0.00 C ATOM 906 O ILE A 58 4.320 5.007 -5.473 1.00 0.00 O ATOM 907 CB ILE A 58 6.056 6.273 -2.977 1.00 0.00 C ATOM 908 CG1 ILE A 58 4.713 5.972 -2.308 1.00 0.00 C ATOM 909 CG2 ILE A 58 6.742 7.448 -2.297 1.00 0.00 C ATOM 910 CD1 ILE A 58 4.277 4.531 -2.451 1.00 0.00 C ATOM 0 H ILE A 58 3.891 7.219 -4.805 1.00 0.00 H new ATOM 0 HA ILE A 58 6.785 6.953 -4.890 1.00 0.00 H new ATOM 0 HB ILE A 58 6.695 5.396 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.780 6.219 -1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.949 6.619 -2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.877 7.227 -1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.714 7.619 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.127 8.341 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.318 4.390 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.177 4.284 -3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.022 3.879 -1.995 1.00 0.00 H new ATOM 922 N THR A 59 6.501 4.451 -5.477 1.00 0.00 N ATOM 923 CA THR A 59 6.288 3.180 -6.157 1.00 0.00 C ATOM 924 C THR A 59 6.112 2.043 -5.155 1.00 0.00 C ATOM 925 O THR A 59 6.953 1.839 -4.280 1.00 0.00 O ATOM 926 CB THR A 59 7.459 2.843 -7.098 1.00 0.00 C ATOM 927 OG1 THR A 59 7.598 3.865 -8.092 1.00 0.00 O ATOM 928 CG2 THR A 59 7.240 1.498 -7.774 1.00 0.00 C ATOM 0 H THR A 59 7.475 4.649 -5.249 1.00 0.00 H new ATOM 0 HA THR A 59 5.377 3.286 -6.746 1.00 0.00 H new ATOM 0 HB THR A 59 8.371 2.789 -6.503 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.346 3.644 -8.686 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.080 1.281 -8.434 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.163 0.718 -7.016 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.319 1.529 -8.357 1.00 0.00 H new ATOM 936 N VAL A 60 5.015 1.305 -5.291 1.00 0.00 N ATOM 937 CA VAL A 60 4.731 0.188 -4.399 1.00 0.00 C ATOM 938 C VAL A 60 4.841 -1.143 -5.133 1.00 0.00 C ATOM 939 O VAL A 60 4.354 -1.289 -6.255 1.00 0.00 O ATOM 940 CB VAL A 60 3.324 0.306 -3.782 1.00 0.00 C ATOM 941 CG1 VAL A 60 3.003 -0.922 -2.945 1.00 0.00 C ATOM 942 CG2 VAL A 60 3.214 1.574 -2.948 1.00 0.00 C ATOM 0 H VAL A 60 4.309 1.461 -6.010 1.00 0.00 H new ATOM 0 HA VAL A 60 5.474 0.223 -3.602 1.00 0.00 H new ATOM 0 HB VAL A 60 2.595 0.365 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.005 -0.820 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.039 -1.811 -3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.734 -1.016 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.214 1.642 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.952 1.547 -2.146 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.397 2.443 -3.580 1.00 0.00 H new ATOM 952 N LYS A 61 5.484 -2.114 -4.493 1.00 0.00 N ATOM 953 CA LYS A 61 5.658 -3.436 -5.084 1.00 0.00 C ATOM 954 C LYS A 61 4.765 -4.462 -4.393 1.00 0.00 C ATOM 955 O LYS A 61 4.754 -4.564 -3.166 1.00 0.00 O ATOM 956 CB LYS A 61 7.122 -3.872 -4.988 1.00 0.00 C ATOM 957 CG LYS A 61 7.492 -4.470 -3.642 1.00 0.00 C ATOM 958 CD LYS A 61 8.972 -4.802 -3.567 1.00 0.00 C ATOM 959 CE LYS A 61 9.248 -5.890 -2.541 1.00 0.00 C ATOM 960 NZ LYS A 61 9.076 -7.252 -3.116 1.00 0.00 N ATOM 0 H LYS A 61 5.893 -2.010 -3.565 1.00 0.00 H new ATOM 0 HA LYS A 61 5.371 -3.378 -6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.326 -4.604 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.762 -3.011 -5.182 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.235 -3.769 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.907 -5.373 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.323 -5.127 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.534 -3.905 -3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.264 -5.782 -2.162 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.576 -5.767 -1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.902 -7.933 -2.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.268 -7.253 -3.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.938 -7.523 -3.631 1.00 0.00 H new ATOM 974 N LEU A 62 4.019 -5.221 -5.189 1.00 0.00 N ATOM 975 CA LEU A 62 3.124 -6.241 -4.654 1.00 0.00 C ATOM 976 C LEU A 62 3.619 -7.640 -5.006 1.00 0.00 C ATOM 977 O LEU A 62 3.954 -7.920 -6.158 1.00 0.00 O ATOM 978 CB LEU A 62 1.707 -6.038 -5.194 1.00 0.00 C ATOM 979 CG LEU A 62 1.125 -4.633 -5.041 1.00 0.00 C ATOM 980 CD1 LEU A 62 -0.048 -4.435 -5.988 1.00 0.00 C ATOM 981 CD2 LEU A 62 0.698 -4.387 -3.601 1.00 0.00 C ATOM 0 H LEU A 62 4.016 -5.149 -6.206 1.00 0.00 H new ATOM 0 HA LEU A 62 3.110 -6.144 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.703 -6.298 -6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.044 -6.741 -4.690 1.00 0.00 H new ATOM 0 HG LEU A 62 1.899 -3.910 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.449 -3.429 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.288 -4.568 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.825 -5.166 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.286 -3.382 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.060 -5.117 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.562 -4.486 -2.943 1.00 0.00 H new ATOM 993 N THR A 63 3.662 -8.516 -4.008 1.00 0.00 N ATOM 994 CA THR A 63 4.116 -9.886 -4.212 1.00 0.00 C ATOM 995 C THR A 63 3.032 -10.887 -3.827 1.00 0.00 C ATOM 996 O THR A 63 2.676 -11.010 -2.655 1.00 0.00 O ATOM 997 CB THR A 63 5.387 -10.185 -3.396 1.00 0.00 C ATOM 998 OG1 THR A 63 6.326 -9.113 -3.542 1.00 0.00 O ATOM 999 CG2 THR A 63 6.026 -11.489 -3.847 1.00 0.00 C ATOM 0 H THR A 63 3.388 -8.301 -3.049 1.00 0.00 H new ATOM 0 HA THR A 63 4.342 -9.989 -5.273 1.00 0.00 H new ATOM 0 HB THR A 63 5.104 -10.281 -2.348 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.222 -9.428 -3.302 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.922 -11.679 -3.256 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.320 -12.307 -3.708 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.295 -11.417 -4.901 1.00 0.00 H new ATOM 1007 N ILE A 64 2.513 -11.601 -4.820 1.00 0.00 N ATOM 1008 CA ILE A 64 1.471 -12.593 -4.584 1.00 0.00 C ATOM 1009 C ILE A 64 1.992 -14.005 -4.825 1.00 0.00 C ATOM 1010 O ILE A 64 2.462 -14.325 -5.917 1.00 0.00 O ATOM 1011 CB ILE A 64 0.246 -12.348 -5.485 1.00 0.00 C ATOM 1012 CG1 ILE A 64 -0.541 -11.132 -4.993 1.00 0.00 C ATOM 1013 CG2 ILE A 64 -0.642 -13.583 -5.518 1.00 0.00 C ATOM 1014 CD1 ILE A 64 0.332 -10.040 -4.415 1.00 0.00 C ATOM 0 H ILE A 64 2.797 -11.511 -5.796 1.00 0.00 H new ATOM 0 HA ILE A 64 1.170 -12.493 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 64 0.593 -12.147 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.118 -10.723 -5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.255 -11.454 -4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.504 -13.395 -6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.076 -14.428 -5.910 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.984 -13.813 -4.509 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.293 -9.210 -4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.890 -10.432 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.029 -9.690 -5.176 1.00 0.00 H new ATOM 1026 N GLN A 65 1.904 -14.846 -3.800 1.00 0.00 N ATOM 1027 CA GLN A 65 2.366 -16.226 -3.902 1.00 0.00 C ATOM 1028 C GLN A 65 1.478 -17.158 -3.085 1.00 0.00 C ATOM 1029 O GLN A 65 1.137 -16.862 -1.940 1.00 0.00 O ATOM 1030 CB GLN A 65 3.815 -16.337 -3.427 1.00 0.00 C ATOM 1031 CG GLN A 65 4.453 -17.683 -3.730 1.00 0.00 C ATOM 1032 CD GLN A 65 5.871 -17.789 -3.202 1.00 0.00 C ATOM 1033 OE1 GLN A 65 6.237 -17.120 -2.235 1.00 0.00 O ATOM 1034 NE2 GLN A 65 6.677 -18.633 -3.836 1.00 0.00 N ATOM 0 H GLN A 65 1.517 -14.597 -2.890 1.00 0.00 H new ATOM 0 HA GLN A 65 2.310 -16.525 -4.949 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.404 -15.551 -3.898 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.851 -16.161 -2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.846 -18.475 -3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.458 -17.844 -4.808 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.331 -19.167 -4.633 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.642 -18.747 -3.526 1.00 0.00 H new ATOM 1043 N ASN A 66 1.107 -18.287 -3.681 1.00 0.00 N ATOM 1044 CA ASN A 66 0.257 -19.263 -3.008 1.00 0.00 C ATOM 1045 C ASN A 66 -0.957 -18.586 -2.379 1.00 0.00 C ATOM 1046 O ASN A 66 -1.321 -18.877 -1.240 1.00 0.00 O ATOM 1047 CB ASN A 66 1.053 -20.008 -1.934 1.00 0.00 C ATOM 1048 CG ASN A 66 0.365 -21.283 -1.485 1.00 0.00 C ATOM 1049 OD1 ASN A 66 -0.640 -21.696 -2.064 1.00 0.00 O ATOM 1050 ND2 ASN A 66 0.905 -21.913 -0.448 1.00 0.00 N ATOM 0 H ASN A 66 1.381 -18.548 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.093 -19.977 -3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.043 -20.249 -2.321 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.198 -19.354 -1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.486 -22.776 -0.101 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.739 -21.534 0.001 1.00 0.00 H new ATOM 1057 N ARG A 67 -1.579 -17.683 -3.130 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.752 -16.965 -2.647 1.00 0.00 C ATOM 1059 C ARG A 67 -2.391 -16.068 -1.466 1.00 0.00 C ATOM 1060 O ARG A 67 -3.041 -16.109 -0.422 1.00 0.00 O ATOM 1061 CB ARG A 67 -3.847 -17.950 -2.236 1.00 0.00 C ATOM 1062 CG ARG A 67 -4.188 -18.966 -3.315 1.00 0.00 C ATOM 1063 CD ARG A 67 -5.493 -19.684 -3.011 1.00 0.00 C ATOM 1064 NE ARG A 67 -5.895 -20.572 -4.098 1.00 0.00 N ATOM 1065 CZ ARG A 67 -6.923 -21.411 -4.020 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -7.648 -21.475 -2.913 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -7.226 -22.188 -5.053 1.00 0.00 N ATOM 0 H ARG A 67 -1.290 -17.431 -4.075 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.123 -16.339 -3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.529 -18.479 -1.338 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.747 -17.392 -1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.264 -18.463 -4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.381 -19.694 -3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.384 -20.261 -2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.278 -18.949 -2.834 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.358 -20.547 -4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -7.418 -20.879 -2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.436 -22.120 -2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.670 -22.141 -5.907 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.015 -22.832 -4.993 1.00 0.00 H new ATOM 1081 N GLN A 68 -1.351 -15.259 -1.640 1.00 0.00 N ATOM 1082 CA GLN A 68 -0.903 -14.354 -0.588 1.00 0.00 C ATOM 1083 C GLN A 68 -0.784 -12.927 -1.113 1.00 0.00 C ATOM 1084 O GLN A 68 -0.677 -12.705 -2.318 1.00 0.00 O ATOM 1085 CB GLN A 68 0.441 -14.817 -0.025 1.00 0.00 C ATOM 1086 CG GLN A 68 0.687 -14.372 1.408 1.00 0.00 C ATOM 1087 CD GLN A 68 2.050 -14.789 1.923 1.00 0.00 C ATOM 1088 OE1 GLN A 68 2.220 -15.891 2.444 1.00 0.00 O ATOM 1089 NE2 GLN A 68 3.032 -13.906 1.779 1.00 0.00 N ATOM 0 H GLN A 68 -0.803 -15.212 -2.499 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.646 -14.368 0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.490 -15.905 -0.072 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.242 -14.434 -0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.596 -13.287 1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.085 -14.793 2.053 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.846 -13.004 1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.972 -14.130 2.106 1.00 0.00 H new ATOM 1098 N ALA A 69 -0.804 -11.962 -0.199 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.697 -10.556 -0.569 1.00 0.00 C ATOM 1100 C ALA A 69 0.279 -9.821 0.344 1.00 0.00 C ATOM 1101 O ALA A 69 0.194 -9.923 1.567 1.00 0.00 O ATOM 1102 CB ALA A 69 -2.065 -9.893 -0.526 1.00 0.00 C ATOM 0 H ALA A 69 -0.893 -12.129 0.803 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.312 -10.502 -1.587 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.970 -8.844 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.735 -10.395 -1.225 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.473 -9.965 0.482 1.00 0.00 H new ATOM 1108 N GLN A 70 1.204 -9.081 -0.260 1.00 0.00 N ATOM 1109 CA GLN A 70 2.196 -8.330 0.501 1.00 0.00 C ATOM 1110 C GLN A 70 2.373 -6.928 -0.072 1.00 0.00 C ATOM 1111 O GLN A 70 2.546 -6.758 -1.279 1.00 0.00 O ATOM 1112 CB GLN A 70 3.536 -9.068 0.499 1.00 0.00 C ATOM 1113 CG GLN A 70 4.385 -8.789 1.729 1.00 0.00 C ATOM 1114 CD GLN A 70 5.265 -7.566 1.565 1.00 0.00 C ATOM 1115 OE1 GLN A 70 5.616 -7.184 0.448 1.00 0.00 O ATOM 1116 NE2 GLN A 70 5.628 -6.944 2.681 1.00 0.00 N ATOM 0 H GLN A 70 1.287 -8.986 -1.272 1.00 0.00 H new ATOM 0 HA GLN A 70 1.840 -8.241 1.527 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.351 -10.140 0.431 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.097 -8.784 -0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.733 -8.650 2.592 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.011 -9.657 1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.314 -7.295 3.586 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.221 -6.115 2.633 1.00 0.00 H new ATOM 1125 N ILE A 71 2.329 -5.928 0.801 1.00 0.00 N ATOM 1126 CA ILE A 71 2.485 -4.541 0.382 1.00 0.00 C ATOM 1127 C ILE A 71 3.698 -3.898 1.047 1.00 0.00 C ATOM 1128 O ILE A 71 3.850 -3.955 2.267 1.00 0.00 O ATOM 1129 CB ILE A 71 1.232 -3.708 0.711 1.00 0.00 C ATOM 1130 CG1 ILE A 71 0.867 -3.858 2.189 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.068 -4.130 -0.173 1.00 0.00 C ATOM 1132 CD1 ILE A 71 -0.331 -3.033 2.603 1.00 0.00 C ATOM 0 H ILE A 71 2.187 -6.052 1.803 1.00 0.00 H new ATOM 0 HA ILE A 71 2.630 -4.553 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 71 1.450 -2.658 0.515 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.665 -4.908 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.724 -3.570 2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.810 -3.532 0.072 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.332 -3.976 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.153 -5.184 -0.005 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.532 -3.189 3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.125 -1.978 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.201 -3.337 2.021 1.00 0.00 H new ATOM 1144 N GLU A 72 4.556 -3.287 0.237 1.00 0.00 N ATOM 1145 CA GLU A 72 5.755 -2.633 0.748 1.00 0.00 C ATOM 1146 C GLU A 72 6.191 -1.498 -0.174 1.00 0.00 C ATOM 1147 O GLU A 72 6.003 -1.563 -1.389 1.00 0.00 O ATOM 1148 CB GLU A 72 6.891 -3.647 0.899 1.00 0.00 C ATOM 1149 CG GLU A 72 7.962 -3.219 1.888 1.00 0.00 C ATOM 1150 CD GLU A 72 8.733 -4.393 2.458 1.00 0.00 C ATOM 1151 OE1 GLU A 72 8.128 -5.472 2.631 1.00 0.00 O ATOM 1152 OE2 GLU A 72 9.942 -4.234 2.731 1.00 0.00 O ATOM 0 H GLU A 72 4.444 -3.231 -0.775 1.00 0.00 H new ATOM 0 HA GLU A 72 5.520 -2.213 1.726 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.474 -4.602 1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.352 -3.811 -0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.656 -2.539 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.497 -2.664 2.703 1.00 0.00 H new ATOM 1159 N VAL A 73 6.774 -0.458 0.413 1.00 0.00 N ATOM 1160 CA VAL A 73 7.237 0.692 -0.354 1.00 0.00 C ATOM 1161 C VAL A 73 8.739 0.616 -0.606 1.00 0.00 C ATOM 1162 O VAL A 73 9.513 0.277 0.289 1.00 0.00 O ATOM 1163 CB VAL A 73 6.915 2.015 0.366 1.00 0.00 C ATOM 1164 CG1 VAL A 73 7.428 3.200 -0.437 1.00 0.00 C ATOM 1165 CG2 VAL A 73 5.419 2.136 0.614 1.00 0.00 C ATOM 0 H VAL A 73 6.937 -0.388 1.417 1.00 0.00 H new ATOM 0 HA VAL A 73 6.709 0.669 -1.308 1.00 0.00 H new ATOM 0 HB VAL A 73 7.422 2.015 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.191 4.125 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.508 3.118 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.953 3.208 -1.418 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.210 3.077 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.889 2.113 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.085 1.305 1.235 1.00 0.00 H new ATOM 1175 N VAL A 74 9.145 0.934 -1.831 1.00 0.00 N ATOM 1176 CA VAL A 74 10.555 0.904 -2.201 1.00 0.00 C ATOM 1177 C VAL A 74 11.269 2.173 -1.751 1.00 0.00 C ATOM 1178 O VAL A 74 10.712 3.271 -1.778 1.00 0.00 O ATOM 1179 CB VAL A 74 10.732 0.740 -3.722 1.00 0.00 C ATOM 1180 CG1 VAL A 74 10.120 -0.570 -4.194 1.00 0.00 C ATOM 1181 CG2 VAL A 74 10.120 1.920 -4.460 1.00 0.00 C ATOM 0 H VAL A 74 8.517 1.215 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 74 10.996 0.045 -1.696 1.00 0.00 H new ATOM 0 HB VAL A 74 11.799 0.715 -3.945 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.255 -0.667 -5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.610 -1.403 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.056 -0.580 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.254 1.787 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.056 1.979 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.611 2.841 -4.144 1.00 0.00 H new ATOM 1191 N PRO A 75 12.533 2.023 -1.327 1.00 0.00 N ATOM 1192 CA PRO A 75 13.351 3.147 -0.864 1.00 0.00 C ATOM 1193 C PRO A 75 13.741 4.087 -2.000 1.00 0.00 C ATOM 1194 O PRO A 75 14.200 3.647 -3.053 1.00 0.00 O ATOM 1195 CB PRO A 75 14.593 2.466 -0.284 1.00 0.00 C ATOM 1196 CG PRO A 75 14.679 1.161 -0.999 1.00 0.00 C ATOM 1197 CD PRO A 75 13.260 0.743 -1.268 1.00 0.00 C ATOM 0 HA PRO A 75 12.817 3.772 -0.148 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.487 3.067 -0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.499 2.322 0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.239 1.261 -1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.197 0.417 -0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.175 0.189 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 75 12.875 0.098 -0.479 1.00 0.00 H new ATOM 1205 N SER A 76 13.554 5.384 -1.778 1.00 0.00 N ATOM 1206 CA SER A 76 13.883 6.387 -2.784 1.00 0.00 C ATOM 1207 C SER A 76 15.122 7.179 -2.378 1.00 0.00 C ATOM 1208 O SER A 76 15.019 8.278 -1.835 1.00 0.00 O ATOM 1209 CB SER A 76 12.702 7.338 -2.993 1.00 0.00 C ATOM 1210 OG SER A 76 11.516 6.621 -3.288 1.00 0.00 O ATOM 0 H SER A 76 13.176 5.765 -0.910 1.00 0.00 H new ATOM 0 HA SER A 76 14.094 5.870 -3.720 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.553 7.940 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.926 8.027 -3.807 1.00 0.00 H new ATOM 0 HG SER A 76 10.776 7.251 -3.415 1.00 0.00 H new ATOM 1216 N ALA A 77 16.293 6.610 -2.645 1.00 0.00 N ATOM 1217 CA ALA A 77 17.553 7.262 -2.310 1.00 0.00 C ATOM 1218 C ALA A 77 17.959 8.260 -3.389 1.00 0.00 C ATOM 1219 O ALA A 77 18.315 9.400 -3.092 1.00 0.00 O ATOM 1220 CB ALA A 77 18.647 6.225 -2.109 1.00 0.00 C ATOM 0 H ALA A 77 16.395 5.699 -3.092 1.00 0.00 H new ATOM 0 HA ALA A 77 17.413 7.811 -1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 77 19.582 6.726 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 77 18.367 5.554 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 77 18.777 5.651 -3.026 1.00 0.00 H new ATOM 1226 N SER A 78 17.904 7.823 -4.644 1.00 0.00 N ATOM 1227 CA SER A 78 18.271 8.676 -5.767 1.00 0.00 C ATOM 1228 C SER A 78 17.301 8.490 -6.930 1.00 0.00 C ATOM 1229 O SER A 78 16.551 7.515 -6.977 1.00 0.00 O ATOM 1230 CB SER A 78 19.698 8.368 -6.225 1.00 0.00 C ATOM 1231 OG SER A 78 20.631 8.618 -5.188 1.00 0.00 O ATOM 0 H SER A 78 17.609 6.883 -4.907 1.00 0.00 H new ATOM 0 HA SER A 78 18.220 9.713 -5.435 1.00 0.00 H new ATOM 0 HB2 SER A 78 19.766 7.326 -6.537 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.944 8.978 -7.095 1.00 0.00 H new ATOM 0 HG SER A 78 21.535 8.412 -5.505 1.00 0.00 H new ATOM 1237 N ALA A 79 17.322 9.432 -7.867 1.00 0.00 N ATOM 1238 CA ALA A 79 16.447 9.372 -9.031 1.00 0.00 C ATOM 1239 C ALA A 79 16.656 8.078 -9.809 1.00 0.00 C ATOM 1240 O ALA A 79 17.587 7.964 -10.607 1.00 0.00 O ATOM 1241 CB ALA A 79 16.683 10.575 -9.932 1.00 0.00 C ATOM 0 H ALA A 79 17.936 10.246 -7.843 1.00 0.00 H new ATOM 0 HA ALA A 79 15.415 9.392 -8.680 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.023 10.517 -10.797 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.476 11.491 -9.378 1.00 0.00 H new ATOM 0 HB3 ALA A 79 17.720 10.581 -10.267 1.00 0.00 H new ATOM 1247 N LEU A 80 15.784 7.103 -9.571 1.00 0.00 N ATOM 1248 CA LEU A 80 15.873 5.815 -10.250 1.00 0.00 C ATOM 1249 C LEU A 80 14.601 5.526 -11.040 1.00 0.00 C ATOM 1250 O LEU A 80 13.634 4.986 -10.502 1.00 0.00 O ATOM 1251 CB LEU A 80 16.122 4.698 -9.235 1.00 0.00 C ATOM 1252 CG LEU A 80 17.519 4.652 -8.615 1.00 0.00 C ATOM 1253 CD1 LEU A 80 17.551 3.688 -7.440 1.00 0.00 C ATOM 1254 CD2 LEU A 80 18.553 4.257 -9.660 1.00 0.00 C ATOM 0 H LEU A 80 15.008 7.180 -8.913 1.00 0.00 H new ATOM 0 HA LEU A 80 16.709 5.857 -10.948 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.393 4.796 -8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 80 15.932 3.742 -9.723 1.00 0.00 H new ATOM 0 HG LEU A 80 17.765 5.648 -8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 80 18.553 3.669 -7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 80 16.839 4.014 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 80 17.284 2.688 -7.782 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.541 4.229 -9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.310 3.272 -10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.549 4.987 -10.470 1.00 0.00 H new ATOM 1266 N SER A 81 14.610 5.887 -12.319 1.00 0.00 N ATOM 1267 CA SER A 81 13.456 5.668 -13.183 1.00 0.00 C ATOM 1268 C SER A 81 13.807 4.725 -14.330 1.00 0.00 C ATOM 1269 O SER A 81 13.244 3.638 -14.448 1.00 0.00 O ATOM 1270 CB SER A 81 12.949 7.000 -13.740 1.00 0.00 C ATOM 1271 OG SER A 81 11.556 6.950 -13.994 1.00 0.00 O ATOM 0 H SER A 81 15.403 6.332 -12.780 1.00 0.00 H new ATOM 0 HA SER A 81 12.668 5.208 -12.586 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.164 7.800 -13.031 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.481 7.239 -14.661 1.00 0.00 H new ATOM 0 HG SER A 81 11.257 7.814 -14.348 1.00 0.00 H new ATOM 1277 N GLY A 82 14.742 5.151 -15.173 1.00 0.00 N ATOM 1278 CA GLY A 82 15.153 4.334 -16.300 1.00 0.00 C ATOM 1279 C GLY A 82 15.368 5.149 -17.560 1.00 0.00 C ATOM 1280 O GLY A 82 14.539 5.155 -18.470 1.00 0.00 O ATOM 0 H GLY A 82 15.222 6.047 -15.096 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.075 3.811 -16.048 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.396 3.573 -16.488 1.00 0.00 H new ATOM 1284 N PRO A 83 16.504 5.859 -17.623 1.00 0.00 N ATOM 1285 CA PRO A 83 16.851 6.696 -18.776 1.00 0.00 C ATOM 1286 C PRO A 83 17.183 5.869 -20.013 1.00 0.00 C ATOM 1287 O PRO A 83 17.341 6.409 -21.108 1.00 0.00 O ATOM 1288 CB PRO A 83 18.087 7.463 -18.298 1.00 0.00 C ATOM 1289 CG PRO A 83 18.689 6.594 -17.248 1.00 0.00 C ATOM 1290 CD PRO A 83 17.538 5.899 -16.575 1.00 0.00 C ATOM 0 HA PRO A 83 16.024 7.339 -19.077 1.00 0.00 H new ATOM 0 HB2 PRO A 83 18.786 7.637 -19.116 1.00 0.00 H new ATOM 0 HB3 PRO A 83 17.816 8.440 -17.896 1.00 0.00 H new ATOM 0 HG2 PRO A 83 19.378 5.872 -17.687 1.00 0.00 H new ATOM 0 HG3 PRO A 83 19.260 7.185 -16.532 1.00 0.00 H new ATOM 0 HD2 PRO A 83 17.812 4.898 -16.242 1.00 0.00 H new ATOM 0 HD3 PRO A 83 17.198 6.445 -15.695 1.00 0.00 H new ATOM 1298 N SER A 84 17.287 4.556 -19.832 1.00 0.00 N ATOM 1299 CA SER A 84 17.604 3.655 -20.934 1.00 0.00 C ATOM 1300 C SER A 84 16.884 4.083 -22.209 1.00 0.00 C ATOM 1301 O SER A 84 15.660 4.217 -22.229 1.00 0.00 O ATOM 1302 CB SER A 84 17.218 2.220 -20.574 1.00 0.00 C ATOM 1303 OG SER A 84 15.825 2.111 -20.332 1.00 0.00 O ATOM 0 H SER A 84 17.156 4.093 -18.933 1.00 0.00 H new ATOM 0 HA SER A 84 18.679 3.701 -21.111 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.503 1.549 -21.385 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.770 1.903 -19.689 1.00 0.00 H new ATOM 0 HG SER A 84 15.343 2.747 -20.902 1.00 0.00 H new ATOM 1309 N SER A 85 17.652 4.296 -23.273 1.00 0.00 N ATOM 1310 CA SER A 85 17.090 4.712 -24.552 1.00 0.00 C ATOM 1311 C SER A 85 15.893 5.636 -24.344 1.00 0.00 C ATOM 1312 O SER A 85 14.874 5.511 -25.021 1.00 0.00 O ATOM 1313 CB SER A 85 16.669 3.490 -25.370 1.00 0.00 C ATOM 1314 OG SER A 85 15.433 2.970 -24.911 1.00 0.00 O ATOM 0 H SER A 85 18.666 4.187 -23.274 1.00 0.00 H new ATOM 0 HA SER A 85 17.859 5.258 -25.098 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.584 3.764 -26.421 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.438 2.721 -25.303 1.00 0.00 H new ATOM 0 HG SER A 85 14.720 3.618 -25.087 1.00 0.00 H new ATOM 1320 N GLY A 86 16.027 6.564 -23.401 1.00 0.00 N ATOM 1321 CA GLY A 86 14.950 7.496 -23.120 1.00 0.00 C ATOM 1322 C GLY A 86 14.646 8.403 -24.296 1.00 0.00 C ATOM 1323 O GLY A 86 15.181 9.507 -24.390 1.00 0.00 O ATOM 0 H GLY A 86 16.861 6.687 -22.827 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.052 6.939 -22.853 1.00 0.00 H new ATOM 0 HA3 GLY A 86 15.216 8.104 -22.256 1.00 0.00 H new TER 1327 GLY A 86