USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 685 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 63 GLN : amide:sc= 0.0734 X(o=0.92,f=0.62) USER MOD Set 1.2: A 67 SER OG : rot -42:sc= 0.845 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.161 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 147:sc= 1.93 (180deg=0.847) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 97:sc= 0.934 USER MOD Single : A 19 TYR OH : rot -173:sc= 0.241 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00388 USER MOD Single : A 45 MET CE :methyl 178:sc= 0 (180deg=-0.00861) USER MOD Single : A 66 SER OG : rot 76:sc= 0.905 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0926 USER MOD Single : A 80 LYS NZ :NH3+ -133:sc= 0.516 (180deg=-0.0365) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -108:sc= 1.24 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.0733 X(o=-0.073,f=-0.015) USER MOD Single : A 88 GLN : amide:sc= 0.441 K(o=0.44,f=-4.4!) USER MOD Single : A 91 LYS NZ :NH3+ 153:sc= -0.168 (180deg=-0.862) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.875 -5.793 -6.450 1.00 33.53 N ATOM 2 CA GLY A 1 -7.289 -4.657 -7.209 1.00 1.12 C ATOM 3 C GLY A 1 -5.928 -4.292 -6.682 1.00 0.41 C ATOM 4 O GLY A 1 -5.499 -4.879 -5.704 1.00 4.24 O ATOM 0 H1 GLY A 1 -8.103 -6.568 -7.105 1.00 33.53 H new ATOM 0 H2 GLY A 1 -7.190 -6.128 -5.743 1.00 33.53 H new ATOM 0 H3 GLY A 1 -8.743 -5.479 -5.970 1.00 33.53 H new ATOM 0 HA2 GLY A 1 -7.214 -4.922 -8.264 1.00 1.12 H new ATOM 0 HA3 GLY A 1 -7.950 -3.793 -7.143 1.00 1.12 H new ATOM 8 N ALA A 2 -5.251 -3.356 -7.318 1.00 55.41 N ATOM 9 CA ALA A 2 -3.929 -2.910 -6.893 1.00 3.01 C ATOM 10 C ALA A 2 -3.861 -1.446 -7.282 1.00 44.55 C ATOM 11 O ALA A 2 -4.771 -0.947 -7.946 1.00 42.54 O ATOM 12 CB ALA A 2 -2.823 -3.716 -7.625 1.00 50.04 C ATOM 0 H ALA A 2 -5.600 -2.878 -8.149 1.00 55.41 H new ATOM 0 HA ALA A 2 -3.773 -3.057 -5.824 1.00 3.01 H new ATOM 0 HB1 ALA A 2 -1.843 -3.370 -7.296 1.00 50.04 H new ATOM 0 HB2 ALA A 2 -2.931 -4.776 -7.393 1.00 50.04 H new ATOM 0 HB3 ALA A 2 -2.917 -3.569 -8.701 1.00 50.04 H new ATOM 18 N MET A 3 -2.821 -0.757 -6.854 1.00 53.33 N ATOM 19 CA MET A 3 -2.658 0.658 -7.179 1.00 1.23 C ATOM 20 C MET A 3 -2.184 0.775 -8.624 1.00 75.42 C ATOM 21 O MET A 3 -1.606 -0.165 -9.163 1.00 24.10 O ATOM 22 CB MET A 3 -1.645 1.309 -6.243 1.00 12.12 C ATOM 23 CG MET A 3 -2.123 1.322 -4.797 1.00 70.21 C ATOM 24 SD MET A 3 -1.061 2.317 -3.732 1.00 71.00 S ATOM 25 CE MET A 3 -1.627 3.991 -4.107 1.00 71.10 C ATOM 0 H MET A 3 -2.074 -1.148 -6.281 1.00 53.33 H new ATOM 0 HA MET A 3 -3.612 1.172 -7.056 1.00 1.23 H new ATOM 0 HB2 MET A 3 -0.698 0.773 -6.306 1.00 12.12 H new ATOM 0 HB3 MET A 3 -1.455 2.331 -6.570 1.00 12.12 H new ATOM 0 HG2 MET A 3 -3.140 1.711 -4.757 1.00 70.21 H new ATOM 0 HG3 MET A 3 -2.157 0.300 -4.419 1.00 70.21 H new ATOM 0 HE1 MET A 3 -1.056 4.709 -3.518 1.00 71.10 H new ATOM 0 HE2 MET A 3 -1.482 4.195 -5.168 1.00 71.10 H new ATOM 0 HE3 MET A 3 -2.685 4.081 -3.861 1.00 71.10 H new ATOM 35 N ALA A 4 -2.437 1.924 -9.240 1.00 50.51 N ATOM 36 CA ALA A 4 -2.087 2.164 -10.649 1.00 51.35 C ATOM 37 C ALA A 4 -0.583 2.059 -10.929 1.00 74.21 C ATOM 38 O ALA A 4 -0.185 1.795 -12.058 1.00 40.41 O ATOM 39 CB ALA A 4 -2.589 3.558 -11.066 1.00 75.42 C ATOM 0 H ALA A 4 -2.889 2.717 -8.785 1.00 50.51 H new ATOM 0 HA ALA A 4 -2.571 1.382 -11.234 1.00 51.35 H new ATOM 0 HB1 ALA A 4 -2.332 3.740 -12.109 1.00 75.42 H new ATOM 0 HB2 ALA A 4 -3.671 3.606 -10.945 1.00 75.42 H new ATOM 0 HB3 ALA A 4 -2.120 4.316 -10.439 1.00 75.42 H new ATOM 45 N LYS A 5 0.244 2.276 -9.914 1.00 21.41 N ATOM 46 CA LYS A 5 1.693 2.151 -10.067 1.00 53.43 C ATOM 47 C LYS A 5 2.282 1.601 -8.776 1.00 3.53 C ATOM 48 O LYS A 5 1.892 2.045 -7.700 1.00 22.02 O ATOM 49 CB LYS A 5 2.334 3.507 -10.387 1.00 10.13 C ATOM 50 CG LYS A 5 3.811 3.395 -10.801 1.00 3.32 C ATOM 51 CD LYS A 5 4.461 4.762 -11.071 1.00 32.24 C ATOM 52 CE LYS A 5 4.690 5.580 -9.785 1.00 22.43 C ATOM 53 NZ LYS A 5 5.559 4.867 -8.789 1.00 74.30 N ATOM 0 H LYS A 5 -0.060 2.539 -8.977 1.00 21.41 H new ATOM 0 HA LYS A 5 1.900 1.474 -10.896 1.00 53.43 H new ATOM 0 HB2 LYS A 5 1.774 3.986 -11.190 1.00 10.13 H new ATOM 0 HB3 LYS A 5 2.256 4.154 -9.513 1.00 10.13 H new ATOM 0 HG2 LYS A 5 4.366 2.883 -10.015 1.00 3.32 H new ATOM 0 HG3 LYS A 5 3.886 2.779 -11.697 1.00 3.32 H new ATOM 0 HD2 LYS A 5 5.416 4.612 -11.575 1.00 32.24 H new ATOM 0 HD3 LYS A 5 3.828 5.332 -11.751 1.00 32.24 H new ATOM 0 HE2 LYS A 5 5.149 6.534 -10.044 1.00 22.43 H new ATOM 0 HE3 LYS A 5 3.727 5.804 -9.326 1.00 22.43 H new ATOM 0 HZ1 LYS A 5 6.126 5.562 -8.262 1.00 74.30 H new ATOM 0 HZ2 LYS A 5 4.961 4.334 -8.126 1.00 74.30 H new ATOM 0 HZ3 LYS A 5 6.193 4.211 -9.288 1.00 74.30 H new ATOM 67 N ALA A 6 3.225 0.677 -8.910 1.00 1.24 N ATOM 68 CA ALA A 6 3.968 0.115 -7.772 1.00 61.21 C ATOM 69 C ALA A 6 5.510 0.295 -7.909 1.00 31.12 C ATOM 70 O ALA A 6 6.161 0.676 -6.941 1.00 44.42 O ATOM 71 CB ALA A 6 3.602 -1.369 -7.592 1.00 41.44 C ATOM 0 H ALA A 6 3.503 0.290 -9.812 1.00 1.24 H new ATOM 0 HA ALA A 6 3.674 0.672 -6.883 1.00 61.21 H new ATOM 0 HB1 ALA A 6 4.155 -1.780 -6.748 1.00 41.44 H new ATOM 0 HB2 ALA A 6 2.532 -1.460 -7.404 1.00 41.44 H new ATOM 0 HB3 ALA A 6 3.859 -1.919 -8.497 1.00 41.44 H new ATOM 77 N PRO A 7 6.109 0.048 -9.111 1.00 71.23 N ATOM 78 CA PRO A 7 7.567 0.269 -9.138 1.00 74.44 C ATOM 79 C PRO A 7 7.959 1.743 -9.076 1.00 52.22 C ATOM 80 O PRO A 7 7.182 2.628 -9.477 1.00 21.24 O ATOM 81 CB PRO A 7 7.968 -0.340 -10.469 1.00 0.32 C ATOM 82 CG PRO A 7 6.777 -0.151 -11.321 1.00 12.23 C ATOM 83 CD PRO A 7 5.632 -0.431 -10.419 1.00 51.20 C ATOM 0 HA PRO A 7 8.062 -0.170 -8.272 1.00 74.44 H new ATOM 0 HB2 PRO A 7 8.842 0.158 -10.889 1.00 0.32 H new ATOM 0 HB3 PRO A 7 8.221 -1.395 -10.365 1.00 0.32 H new ATOM 0 HG2 PRO A 7 6.730 0.862 -11.720 1.00 12.23 H new ATOM 0 HG3 PRO A 7 6.786 -0.830 -12.174 1.00 12.23 H new ATOM 0 HD2 PRO A 7 4.731 0.095 -10.736 1.00 51.20 H new ATOM 0 HD3 PRO A 7 5.389 -1.493 -10.395 1.00 51.20 H new ATOM 91 N GLU A 8 9.154 2.008 -8.581 1.00 20.03 N ATOM 92 CA GLU A 8 9.646 3.388 -8.348 1.00 3.43 C ATOM 93 C GLU A 8 11.146 3.486 -7.974 1.00 43.30 C ATOM 94 O GLU A 8 11.706 4.576 -7.899 1.00 61.25 O ATOM 95 CB GLU A 8 8.835 4.031 -7.196 1.00 61.10 C ATOM 96 CG GLU A 8 8.761 5.561 -7.231 1.00 71.42 C ATOM 97 CD GLU A 8 7.618 6.094 -6.366 1.00 32.24 C ATOM 98 OE1 GLU A 8 7.629 5.910 -5.137 1.00 23.11 O ATOM 99 OE2 GLU A 8 6.668 6.668 -6.949 1.00 44.12 O ATOM 0 H GLU A 8 9.825 1.284 -8.323 1.00 20.03 H new ATOM 0 HA GLU A 8 9.516 3.906 -9.298 1.00 3.43 H new ATOM 0 HB2 GLU A 8 7.821 3.633 -7.220 1.00 61.10 H new ATOM 0 HB3 GLU A 8 9.276 3.725 -6.247 1.00 61.10 H new ATOM 0 HG2 GLU A 8 9.706 5.979 -6.883 1.00 71.42 H new ATOM 0 HG3 GLU A 8 8.625 5.895 -8.260 1.00 71.42 H new ATOM 106 N SER A 9 11.782 2.356 -7.684 1.00 61.32 N ATOM 107 CA SER A 9 13.155 2.388 -7.168 1.00 12.02 C ATOM 108 C SER A 9 14.188 2.750 -8.236 1.00 54.10 C ATOM 109 O SER A 9 14.025 2.467 -9.422 1.00 42.12 O ATOM 110 CB SER A 9 13.502 1.046 -6.538 1.00 21.13 C ATOM 111 OG SER A 9 14.821 1.039 -6.012 1.00 43.24 O ATOM 0 H SER A 9 11.384 1.423 -7.793 1.00 61.32 H new ATOM 0 HA SER A 9 13.193 3.176 -6.416 1.00 12.02 H new ATOM 0 HB2 SER A 9 12.791 0.823 -5.742 1.00 21.13 H new ATOM 0 HB3 SER A 9 13.403 0.257 -7.284 1.00 21.13 H new ATOM 0 HG SER A 9 15.010 0.164 -5.614 1.00 43.24 H new ATOM 117 N ALA A 10 15.263 3.397 -7.801 1.00 74.22 N ATOM 118 CA ALA A 10 16.287 3.898 -8.710 1.00 51.05 C ATOM 119 C ALA A 10 16.982 2.810 -9.549 1.00 63.01 C ATOM 120 O ALA A 10 17.294 3.035 -10.704 1.00 14.11 O ATOM 121 CB ALA A 10 17.333 4.676 -7.912 1.00 14.12 C ATOM 0 H ALA A 10 15.449 3.588 -6.816 1.00 74.22 H new ATOM 0 HA ALA A 10 15.772 4.541 -9.424 1.00 51.05 H new ATOM 0 HB1 ALA A 10 18.101 5.052 -8.588 1.00 14.12 H new ATOM 0 HB2 ALA A 10 16.854 5.513 -7.404 1.00 14.12 H new ATOM 0 HB3 ALA A 10 17.791 4.018 -7.174 1.00 14.12 H new ATOM 127 N THR A 11 17.249 1.649 -8.972 1.00 13.21 N ATOM 128 CA THR A 11 17.955 0.594 -9.716 1.00 32.33 C ATOM 129 C THR A 11 17.034 -0.056 -10.752 1.00 4.52 C ATOM 130 O THR A 11 17.470 -0.524 -11.777 1.00 1.00 O ATOM 131 CB THR A 11 18.498 -0.492 -8.788 1.00 61.12 C ATOM 132 OG1 THR A 11 18.977 0.130 -7.586 1.00 30.03 O ATOM 133 CG2 THR A 11 19.666 -1.250 -9.447 1.00 54.01 C ATOM 0 H THR A 11 16.998 1.407 -8.013 1.00 13.21 H new ATOM 0 HA THR A 11 18.793 1.077 -10.219 1.00 32.33 H new ATOM 0 HB THR A 11 17.698 -1.200 -8.573 1.00 61.12 H new ATOM 0 HG1 THR A 11 19.327 -0.556 -6.980 1.00 30.03 H new ATOM 0 HG21 THR A 11 20.033 -2.017 -8.765 1.00 54.01 H new ATOM 0 HG22 THR A 11 19.321 -1.719 -10.369 1.00 54.01 H new ATOM 0 HG23 THR A 11 20.471 -0.551 -9.674 1.00 54.01 H new ATOM 141 N GLU A 12 15.744 -0.082 -10.472 1.00 12.43 N ATOM 142 CA GLU A 12 14.780 -0.711 -11.375 1.00 72.05 C ATOM 143 C GLU A 12 14.818 -0.046 -12.723 1.00 21.52 C ATOM 144 O GLU A 12 14.651 -0.722 -13.761 1.00 22.44 O ATOM 145 CB GLU A 12 13.384 -0.561 -10.798 1.00 52.21 C ATOM 146 CG GLU A 12 13.192 -1.329 -9.487 1.00 51.23 C ATOM 147 CD GLU A 12 11.826 -1.165 -8.876 1.00 61.41 C ATOM 148 OE1 GLU A 12 11.171 -0.108 -9.072 1.00 12.42 O ATOM 149 OE2 GLU A 12 11.457 -2.040 -8.084 1.00 11.32 O ATOM 0 H GLU A 12 15.334 0.322 -9.630 1.00 12.43 H new ATOM 0 HA GLU A 12 15.036 -1.765 -11.484 1.00 72.05 H new ATOM 0 HB2 GLU A 12 13.179 0.496 -10.627 1.00 52.21 H new ATOM 0 HB3 GLU A 12 12.655 -0.912 -11.528 1.00 52.21 H new ATOM 0 HG2 GLU A 12 13.373 -2.388 -9.669 1.00 51.23 H new ATOM 0 HG3 GLU A 12 13.942 -0.996 -8.770 1.00 51.23 H new ATOM 156 N LYS A 13 15.098 1.266 -12.741 1.00 31.34 N ATOM 157 CA LYS A 13 15.132 1.999 -13.995 1.00 14.01 C ATOM 158 C LYS A 13 16.322 1.583 -14.863 1.00 62.52 C ATOM 159 O LYS A 13 16.251 1.675 -16.077 1.00 4.42 O ATOM 160 CB LYS A 13 15.155 3.492 -13.688 1.00 3.12 C ATOM 161 CG LYS A 13 16.551 4.099 -13.632 1.00 65.43 C ATOM 162 CD LYS A 13 16.505 5.485 -13.059 1.00 24.04 C ATOM 163 CE LYS A 13 17.899 6.109 -13.093 1.00 54.43 C ATOM 164 NZ LYS A 13 17.863 7.495 -12.528 1.00 33.24 N ATOM 0 H LYS A 13 15.300 1.825 -11.912 1.00 31.34 H new ATOM 0 HA LYS A 13 14.238 1.763 -14.573 1.00 14.01 H new ATOM 0 HB2 LYS A 13 14.574 4.016 -14.447 1.00 3.12 H new ATOM 0 HB3 LYS A 13 14.659 3.662 -12.733 1.00 3.12 H new ATOM 0 HG2 LYS A 13 17.202 3.470 -13.024 1.00 65.43 H new ATOM 0 HG3 LYS A 13 16.980 4.128 -14.633 1.00 65.43 H new ATOM 0 HD2 LYS A 13 15.808 6.100 -13.628 1.00 24.04 H new ATOM 0 HD3 LYS A 13 16.137 5.452 -12.034 1.00 24.04 H new ATOM 0 HE2 LYS A 13 18.594 5.494 -12.521 1.00 54.43 H new ATOM 0 HE3 LYS A 13 18.267 6.137 -14.119 1.00 54.43 H new ATOM 0 HZ1 LYS A 13 18.818 7.907 -12.558 1.00 33.24 H new ATOM 0 HZ2 LYS A 13 17.215 8.082 -13.091 1.00 33.24 H new ATOM 0 HZ3 LYS A 13 17.531 7.460 -11.543 1.00 33.24 H new ATOM 178 N VAL A 14 17.434 1.203 -14.241 1.00 41.50 N ATOM 179 CA VAL A 14 18.625 0.895 -15.019 1.00 44.42 C ATOM 180 C VAL A 14 18.381 -0.443 -15.679 1.00 32.01 C ATOM 181 O VAL A 14 18.728 -0.660 -16.827 1.00 41.52 O ATOM 182 CB VAL A 14 19.972 0.895 -14.160 1.00 35.10 C ATOM 183 CG1 VAL A 14 19.948 1.985 -13.064 1.00 31.31 C ATOM 184 CG2 VAL A 14 20.292 -0.452 -13.530 1.00 41.11 C ATOM 0 H VAL A 14 17.534 1.103 -13.231 1.00 41.50 H new ATOM 0 HA VAL A 14 18.784 1.679 -15.759 1.00 44.42 H new ATOM 0 HB VAL A 14 20.764 1.116 -14.875 1.00 35.10 H new ATOM 0 HG11 VAL A 14 20.880 1.955 -12.500 1.00 31.31 H new ATOM 0 HG12 VAL A 14 19.836 2.965 -13.528 1.00 31.31 H new ATOM 0 HG13 VAL A 14 19.111 1.805 -12.390 1.00 31.31 H new ATOM 0 HG21 VAL A 14 21.219 -0.377 -12.962 1.00 41.11 H new ATOM 0 HG22 VAL A 14 19.481 -0.744 -12.863 1.00 41.11 H new ATOM 0 HG23 VAL A 14 20.405 -1.202 -14.313 1.00 41.11 H new ATOM 194 N LEU A 15 17.714 -1.333 -14.959 1.00 41.20 N ATOM 195 CA LEU A 15 17.471 -2.682 -15.435 1.00 71.31 C ATOM 196 C LEU A 15 16.447 -2.649 -16.558 1.00 72.04 C ATOM 197 O LEU A 15 16.635 -3.312 -17.564 1.00 13.51 O ATOM 198 CB LEU A 15 16.958 -3.531 -14.286 1.00 10.35 C ATOM 199 CG LEU A 15 17.946 -3.628 -13.128 1.00 21.53 C ATOM 200 CD1 LEU A 15 17.224 -3.986 -11.867 1.00 44.25 C ATOM 201 CD2 LEU A 15 19.011 -4.655 -13.386 1.00 21.23 C ATOM 0 H LEU A 15 17.329 -1.140 -14.034 1.00 41.20 H new ATOM 0 HA LEU A 15 18.398 -3.112 -15.815 1.00 71.31 H new ATOM 0 HB2 LEU A 15 16.020 -3.111 -13.922 1.00 10.35 H new ATOM 0 HB3 LEU A 15 16.737 -4.533 -14.653 1.00 10.35 H new ATOM 0 HG LEU A 15 18.424 -2.653 -13.028 1.00 21.53 H new ATOM 0 HD11 LEU A 15 17.938 -4.053 -11.046 1.00 44.25 H new ATOM 0 HD12 LEU A 15 16.483 -3.219 -11.642 1.00 44.25 H new ATOM 0 HD13 LEU A 15 16.725 -4.947 -11.994 1.00 44.25 H new ATOM 0 HD21 LEU A 15 19.694 -4.692 -12.537 1.00 21.23 H new ATOM 0 HD22 LEU A 15 18.548 -5.632 -13.523 1.00 21.23 H new ATOM 0 HD23 LEU A 15 19.565 -4.387 -14.286 1.00 21.23 H new ATOM 213 N CYS A 16 15.377 -1.880 -16.380 1.00 31.11 N ATOM 214 CA CYS A 16 14.458 -1.647 -17.439 1.00 52.21 C ATOM 215 C CYS A 16 15.115 -1.153 -18.729 1.00 15.43 C ATOM 216 O CYS A 16 14.676 -1.567 -19.826 1.00 31.13 O ATOM 217 CB CYS A 16 13.387 -0.618 -16.924 1.00 1.44 C ATOM 218 SG CYS A 16 12.313 0.047 -18.218 1.00 51.21 S ATOM 0 H CYS A 16 15.143 -1.416 -15.502 1.00 31.11 H new ATOM 0 HA CYS A 16 13.997 -2.598 -17.707 1.00 52.21 H new ATOM 0 HB2 CYS A 16 12.769 -1.102 -16.168 1.00 1.44 H new ATOM 0 HB3 CYS A 16 13.901 0.209 -16.434 1.00 1.44 H new ATOM 0 HG CYS A 16 11.199 -0.623 -18.245 1.00 51.21 H new ATOM 224 N ALA A 17 16.038 -0.207 -18.639 1.00 4.43 N ATOM 225 CA ALA A 17 16.695 0.268 -19.833 1.00 42.32 C ATOM 226 C ALA A 17 17.567 -0.773 -20.514 1.00 54.23 C ATOM 227 O ALA A 17 17.537 -0.939 -21.709 1.00 71.23 O ATOM 228 CB ALA A 17 17.519 1.513 -19.445 1.00 13.30 C ATOM 0 H ALA A 17 16.339 0.234 -17.770 1.00 4.43 H new ATOM 0 HA ALA A 17 15.931 0.511 -20.571 1.00 42.32 H new ATOM 0 HB1 ALA A 17 18.031 1.900 -20.326 1.00 13.30 H new ATOM 0 HB2 ALA A 17 16.854 2.279 -19.046 1.00 13.30 H new ATOM 0 HB3 ALA A 17 18.255 1.241 -18.688 1.00 13.30 H new ATOM 234 N LEU A 18 18.247 -1.493 -19.651 1.00 4.31 N ATOM 235 CA LEU A 18 19.144 -2.563 -20.050 1.00 42.22 C ATOM 236 C LEU A 18 18.400 -3.661 -20.775 1.00 70.40 C ATOM 237 O LEU A 18 18.910 -4.220 -21.740 1.00 54.32 O ATOM 238 CB LEU A 18 19.882 -3.243 -18.855 1.00 72.23 C ATOM 239 CG LEU A 18 21.342 -2.854 -18.646 1.00 0.23 C ATOM 240 CD1 LEU A 18 22.129 -3.244 -19.879 1.00 72.44 C ATOM 241 CD2 LEU A 18 21.606 -1.347 -18.334 1.00 64.22 C ATOM 0 H LEU A 18 18.195 -1.354 -18.642 1.00 4.31 H new ATOM 0 HA LEU A 18 19.875 -2.075 -20.694 1.00 42.22 H new ATOM 0 HB2 LEU A 18 19.334 -3.014 -17.941 1.00 72.23 H new ATOM 0 HB3 LEU A 18 19.833 -4.323 -18.994 1.00 72.23 H new ATOM 0 HG LEU A 18 21.661 -3.392 -17.753 1.00 0.23 H new ATOM 0 HD11 LEU A 18 23.176 -2.972 -19.744 1.00 72.44 H new ATOM 0 HD12 LEU A 18 22.051 -4.320 -20.035 1.00 72.44 H new ATOM 0 HD13 LEU A 18 21.727 -2.722 -20.747 1.00 72.44 H new ATOM 0 HD21 LEU A 18 22.676 -1.184 -18.204 1.00 64.22 H new ATOM 0 HD22 LEU A 18 21.244 -0.735 -19.160 1.00 64.22 H new ATOM 0 HD23 LEU A 18 21.083 -1.068 -17.419 1.00 64.22 H new ATOM 253 N TYR A 19 17.172 -3.935 -20.372 1.00 24.14 N ATOM 254 CA TYR A 19 16.341 -4.925 -21.047 1.00 52.22 C ATOM 255 C TYR A 19 15.899 -4.366 -22.411 1.00 21.24 C ATOM 256 O TYR A 19 15.966 -5.059 -23.427 1.00 33.13 O ATOM 257 CB TYR A 19 15.093 -5.240 -20.203 1.00 60.44 C ATOM 258 CG TYR A 19 15.276 -6.202 -19.025 1.00 71.21 C ATOM 259 CD1 TYR A 19 16.482 -6.275 -18.294 1.00 32.00 C ATOM 260 CD2 TYR A 19 14.211 -7.047 -18.631 1.00 1.24 C ATOM 261 CE1 TYR A 19 16.630 -7.172 -17.179 1.00 75.42 C ATOM 262 CE2 TYR A 19 14.358 -7.949 -17.525 1.00 42.31 C ATOM 263 CZ TYR A 19 15.557 -7.999 -16.822 1.00 34.43 C ATOM 264 OH TYR A 19 15.674 -8.854 -15.754 1.00 34.14 O ATOM 0 H TYR A 19 16.723 -3.484 -19.575 1.00 24.14 H new ATOM 0 HA TYR A 19 16.918 -5.840 -21.183 1.00 52.22 H new ATOM 0 HB2 TYR A 19 14.700 -4.300 -19.815 1.00 60.44 H new ATOM 0 HB3 TYR A 19 14.332 -5.655 -20.864 1.00 60.44 H new ATOM 0 HD1 TYR A 19 17.311 -5.644 -18.578 1.00 32.00 H new ATOM 0 HD2 TYR A 19 13.276 -7.012 -19.170 1.00 1.24 H new ATOM 0 HE1 TYR A 19 17.556 -7.207 -16.624 1.00 75.42 H new ATOM 0 HE2 TYR A 19 13.537 -8.590 -17.238 1.00 42.31 H new ATOM 0 HH TYR A 19 14.884 -9.432 -15.710 1.00 34.14 H new ATOM 274 N ALA A 20 15.442 -3.120 -22.421 1.00 14.01 N ATOM 275 CA ALA A 20 14.913 -2.491 -23.640 1.00 53.21 C ATOM 276 C ALA A 20 15.943 -2.391 -24.751 1.00 33.51 C ATOM 277 O ALA A 20 15.607 -2.619 -25.904 1.00 23.42 O ATOM 278 CB ALA A 20 14.381 -1.090 -23.307 1.00 42.22 C ATOM 0 H ALA A 20 15.424 -2.517 -21.598 1.00 14.01 H new ATOM 0 HA ALA A 20 14.110 -3.131 -24.005 1.00 53.21 H new ATOM 0 HB1 ALA A 20 13.989 -0.625 -24.212 1.00 42.22 H new ATOM 0 HB2 ALA A 20 13.585 -1.170 -22.566 1.00 42.22 H new ATOM 0 HB3 ALA A 20 15.190 -0.479 -22.906 1.00 42.22 H new ATOM 284 N GLU A 21 17.187 -2.082 -24.427 1.00 45.22 N ATOM 285 CA GLU A 21 18.219 -1.942 -25.464 1.00 33.43 C ATOM 286 C GLU A 21 18.471 -3.264 -26.182 1.00 42.14 C ATOM 287 O GLU A 21 18.704 -3.301 -27.394 1.00 14.33 O ATOM 288 CB GLU A 21 19.552 -1.510 -24.854 1.00 20.20 C ATOM 289 CG GLU A 21 19.621 -0.052 -24.487 1.00 10.33 C ATOM 290 CD GLU A 21 21.028 0.338 -24.094 1.00 13.12 C ATOM 291 OE1 GLU A 21 21.850 0.602 -25.001 1.00 0.12 O ATOM 292 OE2 GLU A 21 21.370 0.236 -22.897 1.00 74.21 O ATOM 0 H GLU A 21 17.513 -1.924 -23.473 1.00 45.22 H new ATOM 0 HA GLU A 21 17.849 -1.192 -26.164 1.00 33.43 H new ATOM 0 HB2 GLU A 21 19.740 -2.107 -23.961 1.00 20.20 H new ATOM 0 HB3 GLU A 21 20.351 -1.733 -25.561 1.00 20.20 H new ATOM 0 HG2 GLU A 21 19.293 0.556 -25.330 1.00 10.33 H new ATOM 0 HG3 GLU A 21 18.939 0.152 -23.662 1.00 10.33 H new ATOM 299 N ILE A 22 18.464 -4.349 -25.419 1.00 54.43 N ATOM 300 CA ILE A 22 18.777 -5.669 -25.973 1.00 31.32 C ATOM 301 C ILE A 22 17.582 -6.226 -26.729 1.00 3.31 C ATOM 302 O ILE A 22 17.735 -6.907 -27.740 1.00 63.25 O ATOM 303 CB ILE A 22 19.223 -6.603 -24.831 1.00 54.25 C ATOM 304 CG1 ILE A 22 20.570 -6.107 -24.227 1.00 72.32 C ATOM 305 CG2 ILE A 22 19.377 -8.082 -25.315 1.00 73.44 C ATOM 306 CD1 ILE A 22 21.053 -6.890 -23.039 1.00 34.45 C ATOM 0 H ILE A 22 18.248 -4.347 -24.422 1.00 54.43 H new ATOM 0 HA ILE A 22 19.595 -5.586 -26.689 1.00 31.32 H new ATOM 0 HB ILE A 22 18.446 -6.578 -24.067 1.00 54.25 H new ATOM 0 HG12 ILE A 22 21.335 -6.142 -25.003 1.00 72.32 H new ATOM 0 HG13 ILE A 22 20.459 -5.063 -23.936 1.00 72.32 H new ATOM 0 HG21 ILE A 22 19.693 -8.707 -24.480 1.00 73.44 H new ATOM 0 HG22 ILE A 22 18.421 -8.441 -25.696 1.00 73.44 H new ATOM 0 HG23 ILE A 22 20.125 -8.130 -26.107 1.00 73.44 H new ATOM 0 HD11 ILE A 22 21.996 -6.472 -22.687 1.00 34.45 H new ATOM 0 HD12 ILE A 22 20.312 -6.835 -22.242 1.00 34.45 H new ATOM 0 HD13 ILE A 22 21.202 -7.931 -23.325 1.00 34.45 H new ATOM 318 N LEU A 23 16.374 -5.912 -26.264 1.00 22.41 N ATOM 319 CA LEU A 23 15.156 -6.414 -26.905 1.00 13.52 C ATOM 320 C LEU A 23 14.689 -5.529 -28.062 1.00 2.32 C ATOM 321 O LEU A 23 13.858 -5.938 -28.877 1.00 71.54 O ATOM 322 CB LEU A 23 14.046 -6.562 -25.858 1.00 11.34 C ATOM 323 CG LEU A 23 13.983 -7.894 -25.070 1.00 63.31 C ATOM 324 CD1 LEU A 23 13.573 -9.038 -26.007 1.00 63.53 C ATOM 325 CD2 LEU A 23 15.285 -8.292 -24.371 1.00 73.31 C ATOM 0 H LEU A 23 16.211 -5.317 -25.452 1.00 22.41 H new ATOM 0 HA LEU A 23 15.390 -7.388 -27.335 1.00 13.52 H new ATOM 0 HB2 LEU A 23 14.151 -5.750 -25.139 1.00 11.34 H new ATOM 0 HB3 LEU A 23 13.089 -6.422 -26.360 1.00 11.34 H new ATOM 0 HG LEU A 23 13.245 -7.722 -24.287 1.00 63.31 H new ATOM 0 HD11 LEU A 23 13.531 -9.971 -25.445 1.00 63.53 H new ATOM 0 HD12 LEU A 23 12.592 -8.826 -26.432 1.00 63.53 H new ATOM 0 HD13 LEU A 23 14.304 -9.130 -26.810 1.00 63.53 H new ATOM 0 HD21 LEU A 23 15.142 -9.237 -23.846 1.00 73.31 H new ATOM 0 HD22 LEU A 23 16.076 -8.404 -25.112 1.00 73.31 H new ATOM 0 HD23 LEU A 23 15.565 -7.519 -23.656 1.00 73.31 H new ATOM 337 N GLY A 24 15.200 -4.313 -28.125 1.00 71.34 N ATOM 338 CA GLY A 24 14.831 -3.401 -29.206 1.00 34.31 C ATOM 339 C GLY A 24 13.434 -2.831 -29.079 1.00 10.41 C ATOM 340 O GLY A 24 12.777 -2.591 -30.074 1.00 51.31 O ATOM 0 H GLY A 24 15.865 -3.932 -27.452 1.00 71.34 H new ATOM 0 HA2 GLY A 24 15.547 -2.579 -29.235 1.00 34.31 H new ATOM 0 HA3 GLY A 24 14.912 -3.928 -30.157 1.00 34.31 H new ATOM 344 N VAL A 25 12.979 -2.618 -27.853 1.00 15.45 N ATOM 345 CA VAL A 25 11.600 -2.165 -27.608 1.00 4.31 C ATOM 346 C VAL A 25 11.524 -0.709 -27.156 1.00 61.35 C ATOM 347 O VAL A 25 12.476 -0.145 -26.610 1.00 21.21 O ATOM 348 CB VAL A 25 10.842 -2.957 -26.596 1.00 74.31 C ATOM 349 CG1 VAL A 25 10.694 -4.364 -27.059 1.00 63.45 C ATOM 350 CG2 VAL A 25 11.552 -2.972 -25.216 1.00 23.21 C ATOM 0 H VAL A 25 13.536 -2.749 -27.008 1.00 15.45 H new ATOM 0 HA VAL A 25 11.141 -2.305 -28.587 1.00 4.31 H new ATOM 0 HB VAL A 25 9.868 -2.480 -26.483 1.00 74.31 H new ATOM 0 HG11 VAL A 25 10.140 -4.936 -26.315 1.00 63.45 H new ATOM 0 HG12 VAL A 25 10.154 -4.381 -28.006 1.00 63.45 H new ATOM 0 HG13 VAL A 25 11.680 -4.808 -27.196 1.00 63.45 H new ATOM 0 HG21 VAL A 25 10.964 -3.560 -24.511 1.00 23.21 H new ATOM 0 HG22 VAL A 25 12.542 -3.415 -25.321 1.00 23.21 H new ATOM 0 HG23 VAL A 25 11.648 -1.952 -24.845 1.00 23.21 H new ATOM 360 N GLU A 26 10.357 -0.153 -27.323 1.00 74.51 N ATOM 361 CA GLU A 26 10.066 1.212 -26.935 1.00 52.14 C ATOM 362 C GLU A 26 9.870 1.350 -25.420 1.00 62.12 C ATOM 363 O GLU A 26 10.033 2.440 -24.859 1.00 40.51 O ATOM 364 CB GLU A 26 8.803 1.606 -27.704 1.00 12.42 C ATOM 365 CG GLU A 26 7.496 0.965 -27.201 1.00 60.35 C ATOM 366 CD GLU A 26 6.265 1.513 -27.880 1.00 71.32 C ATOM 367 OE1 GLU A 26 5.849 0.958 -28.931 1.00 25.41 O ATOM 368 OE2 GLU A 26 5.680 2.479 -27.354 1.00 23.20 O ATOM 0 H GLU A 26 9.562 -0.639 -27.739 1.00 74.51 H new ATOM 0 HA GLU A 26 10.900 1.871 -27.176 1.00 52.14 H new ATOM 0 HB2 GLU A 26 8.696 2.690 -27.662 1.00 12.42 H new ATOM 0 HB3 GLU A 26 8.938 1.340 -28.752 1.00 12.42 H new ATOM 0 HG2 GLU A 26 7.542 -0.112 -27.361 1.00 60.35 H new ATOM 0 HG3 GLU A 26 7.411 1.124 -26.126 1.00 60.35 H new ATOM 375 N ARG A 27 9.519 0.251 -24.764 1.00 61.55 N ATOM 376 CA ARG A 27 9.222 0.277 -23.326 1.00 72.54 C ATOM 377 C ARG A 27 9.291 -1.120 -22.751 1.00 1.11 C ATOM 378 O ARG A 27 8.803 -2.069 -23.350 1.00 24.23 O ATOM 379 CB ARG A 27 7.798 0.837 -23.132 1.00 33.42 C ATOM 380 CG ARG A 27 7.387 1.150 -21.671 1.00 23.05 C ATOM 381 CD ARG A 27 6.614 0.002 -20.990 1.00 3.52 C ATOM 382 NE ARG A 27 5.384 -0.342 -21.718 1.00 73.01 N ATOM 383 CZ ARG A 27 4.208 0.257 -21.579 1.00 13.52 C ATOM 384 NH1 ARG A 27 4.023 1.267 -20.754 1.00 45.53 N ATOM 385 NH2 ARG A 27 3.196 -0.165 -22.288 1.00 34.13 N ATOM 0 H ARG A 27 9.432 -0.668 -25.197 1.00 61.55 H new ATOM 0 HA ARG A 27 9.953 0.903 -22.814 1.00 72.54 H new ATOM 0 HB2 ARG A 27 7.705 1.751 -23.719 1.00 33.42 H new ATOM 0 HB3 ARG A 27 7.087 0.120 -23.543 1.00 33.42 H new ATOM 0 HG2 ARG A 27 8.282 1.370 -21.089 1.00 23.05 H new ATOM 0 HG3 ARG A 27 6.771 2.049 -21.660 1.00 23.05 H new ATOM 0 HD2 ARG A 27 7.255 -0.878 -20.925 1.00 3.52 H new ATOM 0 HD3 ARG A 27 6.363 0.290 -19.969 1.00 3.52 H new ATOM 0 HE ARG A 27 5.439 -1.108 -22.389 1.00 73.01 H new ATOM 0 HH11 ARG A 27 4.800 1.616 -20.193 1.00 45.53 H new ATOM 0 HH12 ARG A 27 3.103 1.700 -20.676 1.00 45.53 H new ATOM 0 HH21 ARG A 27 3.317 -0.943 -22.936 1.00 34.13 H new ATOM 0 HH22 ARG A 27 2.285 0.284 -22.194 1.00 34.13 H new ATOM 399 N VAL A 28 9.835 -1.207 -21.554 1.00 15.02 N ATOM 400 CA VAL A 28 9.834 -2.444 -20.773 1.00 51.21 C ATOM 401 C VAL A 28 9.148 -2.099 -19.455 1.00 22.41 C ATOM 402 O VAL A 28 9.497 -1.092 -18.817 1.00 33.23 O ATOM 403 CB VAL A 28 11.293 -2.963 -20.506 1.00 4.03 C ATOM 404 CG1 VAL A 28 11.326 -4.089 -19.482 1.00 1.34 C ATOM 405 CG2 VAL A 28 11.907 -3.450 -21.798 1.00 23.03 C ATOM 0 H VAL A 28 10.293 -0.424 -21.087 1.00 15.02 H new ATOM 0 HA VAL A 28 9.319 -3.240 -21.310 1.00 51.21 H new ATOM 0 HB VAL A 28 11.865 -2.127 -20.103 1.00 4.03 H new ATOM 0 HG11 VAL A 28 12.356 -4.414 -19.331 1.00 1.34 H new ATOM 0 HG12 VAL A 28 10.916 -3.733 -18.537 1.00 1.34 H new ATOM 0 HG13 VAL A 28 10.730 -4.927 -19.844 1.00 1.34 H new ATOM 0 HG21 VAL A 28 12.919 -3.809 -21.608 1.00 23.03 H new ATOM 0 HG22 VAL A 28 11.304 -4.262 -22.204 1.00 23.03 H new ATOM 0 HG23 VAL A 28 11.942 -2.631 -22.516 1.00 23.03 H new ATOM 415 N GLY A 29 8.164 -2.889 -19.060 1.00 51.44 N ATOM 416 CA GLY A 29 7.534 -2.696 -17.770 1.00 3.52 C ATOM 417 C GLY A 29 8.468 -3.276 -16.742 1.00 22.51 C ATOM 418 O GLY A 29 9.228 -4.182 -17.017 1.00 14.14 O ATOM 0 H GLY A 29 7.789 -3.662 -19.609 1.00 51.44 H new ATOM 0 HA2 GLY A 29 7.358 -1.637 -17.580 1.00 3.52 H new ATOM 0 HA3 GLY A 29 6.564 -3.192 -17.735 1.00 3.52 H new ATOM 422 N VAL A 30 8.437 -2.746 -15.537 1.00 31.34 N ATOM 423 CA VAL A 30 9.354 -3.200 -14.481 1.00 24.44 C ATOM 424 C VAL A 30 8.965 -4.607 -13.988 1.00 73.31 C ATOM 425 O VAL A 30 9.683 -5.249 -13.228 1.00 14.24 O ATOM 426 CB VAL A 30 9.356 -2.190 -13.301 1.00 11.12 C ATOM 427 CG1 VAL A 30 10.601 -2.314 -12.480 1.00 60.34 C ATOM 428 CG2 VAL A 30 9.272 -0.756 -13.845 1.00 50.01 C ATOM 0 H VAL A 30 7.796 -2.005 -15.253 1.00 31.34 H new ATOM 0 HA VAL A 30 10.360 -3.253 -14.897 1.00 24.44 H new ATOM 0 HB VAL A 30 8.494 -2.413 -12.673 1.00 11.12 H new ATOM 0 HG11 VAL A 30 10.571 -1.594 -11.663 1.00 60.34 H new ATOM 0 HG12 VAL A 30 10.669 -3.323 -12.072 1.00 60.34 H new ATOM 0 HG13 VAL A 30 11.471 -2.116 -13.106 1.00 60.34 H new ATOM 0 HG21 VAL A 30 9.274 -0.051 -13.014 1.00 50.01 H new ATOM 0 HG22 VAL A 30 10.130 -0.560 -14.489 1.00 50.01 H new ATOM 0 HG23 VAL A 30 8.353 -0.638 -14.419 1.00 50.01 H new ATOM 438 N ASP A 31 7.800 -5.063 -14.438 1.00 71.32 N ATOM 439 CA ASP A 31 7.274 -6.390 -14.096 1.00 51.43 C ATOM 440 C ASP A 31 7.322 -7.318 -15.316 1.00 23.33 C ATOM 441 O ASP A 31 6.835 -8.447 -15.274 1.00 40.34 O ATOM 442 CB ASP A 31 5.839 -6.241 -13.590 1.00 61.01 C ATOM 443 CG ASP A 31 5.418 -7.371 -12.660 1.00 22.24 C ATOM 444 OD1 ASP A 31 6.287 -7.945 -11.968 1.00 2.24 O ATOM 445 OD2 ASP A 31 4.193 -7.598 -12.524 1.00 1.20 O ATOM 0 H ASP A 31 7.189 -4.525 -15.052 1.00 71.32 H new ATOM 0 HA ASP A 31 7.890 -6.834 -13.314 1.00 51.43 H new ATOM 0 HB2 ASP A 31 5.741 -5.290 -13.066 1.00 61.01 H new ATOM 0 HB3 ASP A 31 5.160 -6.207 -14.442 1.00 61.01 H new ATOM 450 N ASP A 32 7.921 -6.847 -16.394 1.00 51.32 N ATOM 451 CA ASP A 32 8.021 -7.655 -17.612 1.00 15.30 C ATOM 452 C ASP A 32 9.202 -8.578 -17.421 1.00 21.43 C ATOM 453 O ASP A 32 10.322 -8.128 -17.178 1.00 55.11 O ATOM 454 CB ASP A 32 8.259 -6.805 -18.874 1.00 60.12 C ATOM 455 CG ASP A 32 7.109 -5.851 -19.196 1.00 72.01 C ATOM 456 OD1 ASP A 32 6.219 -5.595 -18.350 1.00 64.22 O ATOM 457 OD2 ASP A 32 7.205 -5.219 -20.273 1.00 12.21 O ATOM 0 H ASP A 32 8.344 -5.921 -16.459 1.00 51.32 H new ATOM 0 HA ASP A 32 7.082 -8.188 -17.762 1.00 15.30 H new ATOM 0 HB2 ASP A 32 9.174 -6.227 -18.745 1.00 60.12 H new ATOM 0 HB3 ASP A 32 8.418 -7.469 -19.724 1.00 60.12 H new ATOM 462 N ALA A 33 8.960 -9.877 -17.477 1.00 53.13 N ATOM 463 CA ALA A 33 10.046 -10.819 -17.334 1.00 64.10 C ATOM 464 C ALA A 33 10.896 -10.751 -18.606 1.00 4.25 C ATOM 465 O ALA A 33 10.368 -10.592 -19.693 1.00 1.35 O ATOM 466 CB ALA A 33 9.489 -12.226 -17.097 1.00 12.03 C ATOM 0 H ALA A 33 8.039 -10.293 -17.618 1.00 53.13 H new ATOM 0 HA ALA A 33 10.668 -10.572 -16.474 1.00 64.10 H new ATOM 0 HB1 ALA A 33 10.314 -12.931 -16.990 1.00 12.03 H new ATOM 0 HB2 ALA A 33 8.888 -12.231 -16.188 1.00 12.03 H new ATOM 0 HB3 ALA A 33 8.869 -12.519 -17.944 1.00 12.03 H new ATOM 472 N PHE A 34 12.196 -10.982 -18.476 1.00 40.22 N ATOM 473 CA PHE A 34 13.070 -11.063 -19.648 1.00 34.02 C ATOM 474 C PHE A 34 12.576 -12.177 -20.578 1.00 44.12 C ATOM 475 O PHE A 34 12.717 -12.097 -21.791 1.00 31.31 O ATOM 476 CB PHE A 34 14.506 -11.341 -19.220 1.00 10.32 C ATOM 477 CG PHE A 34 15.531 -11.060 -20.307 1.00 21.44 C ATOM 478 CD1 PHE A 34 16.073 -9.776 -20.468 1.00 35.34 C ATOM 479 CD2 PHE A 34 15.960 -12.090 -21.152 1.00 21.34 C ATOM 480 CE1 PHE A 34 17.030 -9.517 -21.480 1.00 53.43 C ATOM 481 CE2 PHE A 34 16.911 -11.856 -22.163 1.00 31.23 C ATOM 482 CZ PHE A 34 17.453 -10.557 -22.331 1.00 4.42 C ATOM 0 H PHE A 34 12.669 -11.116 -17.582 1.00 40.22 H new ATOM 0 HA PHE A 34 13.044 -10.111 -20.177 1.00 34.02 H new ATOM 0 HB2 PHE A 34 14.740 -10.733 -18.346 1.00 10.32 H new ATOM 0 HB3 PHE A 34 14.590 -12.384 -18.914 1.00 10.32 H new ATOM 0 HD1 PHE A 34 15.757 -8.977 -19.814 1.00 35.34 H new ATOM 0 HD2 PHE A 34 15.554 -13.083 -21.026 1.00 21.34 H new ATOM 0 HE1 PHE A 34 17.435 -8.523 -21.599 1.00 53.43 H new ATOM 0 HE2 PHE A 34 17.226 -12.663 -22.808 1.00 31.23 H new ATOM 0 HZ PHE A 34 18.183 -10.366 -23.104 1.00 4.42 H new ATOM 492 N HIS A 35 11.940 -13.192 -19.998 1.00 23.45 N ATOM 493 CA HIS A 35 11.361 -14.294 -20.758 1.00 33.32 C ATOM 494 C HIS A 35 10.033 -13.884 -21.425 1.00 43.20 C ATOM 495 O HIS A 35 9.716 -14.359 -22.491 1.00 70.25 O ATOM 496 CB HIS A 35 11.105 -15.471 -19.812 1.00 42.31 C ATOM 497 CG HIS A 35 12.335 -15.939 -19.101 1.00 20.31 C ATOM 498 ND1 HIS A 35 12.336 -16.512 -17.856 1.00 30.32 N ATOM 499 CD2 HIS A 35 13.649 -15.905 -19.474 1.00 4.53 C ATOM 500 CE1 HIS A 35 13.593 -16.789 -17.521 1.00 1.45 C ATOM 501 NE2 HIS A 35 14.440 -16.439 -18.471 1.00 30.30 N ATOM 0 H HIS A 35 11.812 -13.273 -18.989 1.00 23.45 H new ATOM 0 HA HIS A 35 12.063 -14.575 -21.543 1.00 33.32 H new ATOM 0 HB2 HIS A 35 10.357 -15.179 -19.075 1.00 42.31 H new ATOM 0 HB3 HIS A 35 10.685 -16.301 -20.381 1.00 42.31 H new ATOM 0 HD2 HIS A 35 14.017 -15.518 -20.413 1.00 4.53 H new ATOM 0 HE1 HIS A 35 13.885 -17.244 -16.586 1.00 1.45 H new ATOM 0 HE2 HIS A 35 15.455 -16.540 -18.467 1.00 30.30 H new ATOM 509 N ASP A 36 9.273 -12.999 -20.785 1.00 5.32 N ATOM 510 CA ASP A 36 7.978 -12.545 -21.316 1.00 61.45 C ATOM 511 C ASP A 36 8.207 -11.652 -22.528 1.00 74.02 C ATOM 512 O ASP A 36 7.447 -11.643 -23.490 1.00 64.40 O ATOM 513 CB ASP A 36 7.212 -11.771 -20.243 1.00 34.23 C ATOM 514 CG ASP A 36 5.786 -11.484 -20.646 1.00 74.12 C ATOM 515 OD1 ASP A 36 5.001 -12.459 -20.740 1.00 51.11 O ATOM 516 OD2 ASP A 36 5.413 -10.300 -20.734 1.00 65.22 O ATOM 0 H ASP A 36 9.528 -12.576 -19.892 1.00 5.32 H new ATOM 0 HA ASP A 36 7.391 -13.414 -21.612 1.00 61.45 H new ATOM 0 HB2 ASP A 36 7.216 -12.342 -19.315 1.00 34.23 H new ATOM 0 HB3 ASP A 36 7.726 -10.831 -20.041 1.00 34.23 H new ATOM 521 N LEU A 37 9.333 -10.948 -22.512 1.00 11.40 N ATOM 522 CA LEU A 37 9.737 -10.095 -23.622 1.00 42.51 C ATOM 523 C LEU A 37 10.247 -10.916 -24.806 1.00 55.32 C ATOM 524 O LEU A 37 10.603 -10.362 -25.841 1.00 2.04 O ATOM 525 CB LEU A 37 10.844 -9.134 -23.159 1.00 32.21 C ATOM 526 CG LEU A 37 10.463 -8.092 -22.087 1.00 14.31 C ATOM 527 CD1 LEU A 37 11.732 -7.466 -21.538 1.00 42.44 C ATOM 528 CD2 LEU A 37 9.562 -7.004 -22.672 1.00 73.22 C ATOM 0 H LEU A 37 9.989 -10.953 -21.731 1.00 11.40 H new ATOM 0 HA LEU A 37 8.861 -9.534 -23.947 1.00 42.51 H new ATOM 0 HB2 LEU A 37 11.671 -9.730 -22.773 1.00 32.21 H new ATOM 0 HB3 LEU A 37 11.217 -8.600 -24.033 1.00 32.21 H new ATOM 0 HG LEU A 37 9.913 -8.592 -21.290 1.00 14.31 H new ATOM 0 HD11 LEU A 37 11.474 -6.727 -20.779 1.00 42.44 H new ATOM 0 HD12 LEU A 37 12.357 -8.241 -21.093 1.00 42.44 H new ATOM 0 HD13 LEU A 37 12.277 -6.980 -22.347 1.00 42.44 H new ATOM 0 HD21 LEU A 37 9.309 -6.284 -21.894 1.00 73.22 H new ATOM 0 HD22 LEU A 37 10.085 -6.495 -23.482 1.00 73.22 H new ATOM 0 HD23 LEU A 37 8.649 -7.457 -23.058 1.00 73.22 H new ATOM 540 N GLY A 38 10.290 -12.231 -24.658 1.00 4.22 N ATOM 541 CA GLY A 38 10.766 -13.089 -25.731 1.00 32.52 C ATOM 542 C GLY A 38 12.282 -13.163 -25.790 1.00 70.24 C ATOM 543 O GLY A 38 12.853 -13.473 -26.826 1.00 14.40 O ATOM 0 H GLY A 38 10.003 -12.724 -23.812 1.00 4.22 H new ATOM 0 HA2 GLY A 38 10.362 -14.092 -25.596 1.00 32.52 H new ATOM 0 HA3 GLY A 38 10.387 -12.718 -26.683 1.00 32.52 H new ATOM 547 N GLY A 39 12.940 -12.869 -24.680 1.00 52.54 N ATOM 548 CA GLY A 39 14.386 -12.919 -24.626 1.00 61.04 C ATOM 549 C GLY A 39 14.918 -14.323 -24.795 1.00 75.02 C ATOM 550 O GLY A 39 14.327 -15.295 -24.364 1.00 70.15 O ATOM 0 H GLY A 39 12.492 -12.594 -23.806 1.00 52.54 H new ATOM 0 HA2 GLY A 39 14.799 -12.280 -25.407 1.00 61.04 H new ATOM 0 HA3 GLY A 39 14.726 -12.516 -23.672 1.00 61.04 H new ATOM 554 N SER A 40 16.087 -14.420 -25.424 1.00 73.04 N ATOM 555 CA SER A 40 16.772 -15.714 -25.667 1.00 3.55 C ATOM 556 C SER A 40 17.851 -15.963 -24.705 1.00 31.14 C ATOM 557 O SER A 40 18.304 -15.045 -24.056 1.00 45.14 O ATOM 558 CB SER A 40 17.557 -15.713 -27.012 1.00 13.32 C ATOM 559 OG SER A 40 17.381 -16.876 -27.646 1.00 33.41 O ATOM 0 H SER A 40 16.596 -13.613 -25.784 1.00 73.04 H new ATOM 0 HA SER A 40 15.964 -16.444 -25.621 1.00 3.55 H new ATOM 0 HB2 SER A 40 17.215 -14.891 -27.641 1.00 13.32 H new ATOM 0 HB3 SER A 40 18.618 -15.550 -26.823 1.00 13.32 H new ATOM 0 HG SER A 40 17.877 -16.866 -28.491 1.00 33.41 H new ATOM 565 N SER A 41 18.454 -17.138 -24.771 1.00 23.33 N ATOM 566 CA SER A 41 19.567 -17.463 -23.893 1.00 61.21 C ATOM 567 C SER A 41 20.796 -16.621 -24.189 1.00 23.31 C ATOM 568 O SER A 41 21.460 -16.142 -23.276 1.00 4.41 O ATOM 569 CB SER A 41 19.905 -18.934 -24.021 1.00 64.43 C ATOM 570 OG SER A 41 20.079 -19.286 -25.387 1.00 54.32 O ATOM 0 H SER A 41 18.194 -17.880 -25.420 1.00 23.33 H new ATOM 0 HA SER A 41 19.258 -17.239 -22.872 1.00 61.21 H new ATOM 0 HB2 SER A 41 20.815 -19.154 -23.463 1.00 64.43 H new ATOM 0 HB3 SER A 41 19.109 -19.536 -23.582 1.00 64.43 H new ATOM 0 HG SER A 41 20.299 -20.239 -25.454 1.00 54.32 H new ATOM 576 N ALA A 42 21.066 -16.400 -25.466 1.00 60.10 N ATOM 577 CA ALA A 42 22.198 -15.580 -25.867 1.00 14.20 C ATOM 578 C ALA A 42 22.000 -14.129 -25.416 1.00 23.34 C ATOM 579 O ALA A 42 22.931 -13.474 -24.957 1.00 65.41 O ATOM 580 CB ALA A 42 22.331 -15.644 -27.387 1.00 62.11 C ATOM 0 H ALA A 42 20.519 -16.776 -26.240 1.00 60.10 H new ATOM 0 HA ALA A 42 23.106 -15.957 -25.397 1.00 14.20 H new ATOM 0 HB1 ALA A 42 23.176 -15.034 -27.704 1.00 62.11 H new ATOM 0 HB2 ALA A 42 22.493 -16.677 -27.695 1.00 62.11 H new ATOM 0 HB3 ALA A 42 21.418 -15.267 -27.848 1.00 62.11 H new ATOM 586 N LEU A 43 20.778 -13.634 -25.569 1.00 34.15 N ATOM 587 CA LEU A 43 20.426 -12.262 -25.199 1.00 63.54 C ATOM 588 C LEU A 43 20.469 -12.133 -23.660 1.00 32.50 C ATOM 589 O LEU A 43 21.063 -11.220 -23.169 1.00 23.44 O ATOM 590 CB LEU A 43 19.000 -11.926 -25.623 1.00 61.12 C ATOM 591 CG LEU A 43 18.814 -11.371 -27.018 1.00 62.03 C ATOM 592 CD1 LEU A 43 19.245 -12.346 -28.124 1.00 22.23 C ATOM 593 CD2 LEU A 43 17.343 -10.987 -27.206 1.00 64.50 C ATOM 0 H LEU A 43 20.000 -14.170 -25.953 1.00 34.15 H new ATOM 0 HA LEU A 43 21.131 -11.592 -25.691 1.00 63.54 H new ATOM 0 HB2 LEU A 43 18.398 -12.830 -25.534 1.00 61.12 H new ATOM 0 HB3 LEU A 43 18.596 -11.203 -24.914 1.00 61.12 H new ATOM 0 HG LEU A 43 19.461 -10.499 -27.110 1.00 62.03 H new ATOM 0 HD11 LEU A 43 19.085 -11.885 -29.098 1.00 22.23 H new ATOM 0 HD12 LEU A 43 20.302 -12.587 -28.006 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.655 -13.260 -28.054 1.00 22.23 H new ATOM 0 HD21 LEU A 43 17.197 -10.585 -28.209 1.00 64.50 H new ATOM 0 HD22 LEU A 43 16.717 -11.869 -27.074 1.00 64.50 H new ATOM 0 HD23 LEU A 43 17.067 -10.233 -26.469 1.00 64.50 H new ATOM 605 N ALA A 44 20.030 -13.177 -22.950 1.00 73.40 N ATOM 606 CA ALA A 44 20.199 -13.150 -21.499 1.00 3.55 C ATOM 607 C ALA A 44 21.680 -13.141 -21.045 1.00 11.33 C ATOM 608 O ALA A 44 21.996 -12.421 -20.108 1.00 34.31 O ATOM 609 CB ALA A 44 19.454 -14.374 -20.898 1.00 74.12 C ATOM 0 H ALA A 44 19.579 -14.008 -23.332 1.00 73.40 H new ATOM 0 HA ALA A 44 19.777 -12.214 -21.133 1.00 3.55 H new ATOM 0 HB1 ALA A 44 19.568 -14.373 -19.814 1.00 74.12 H new ATOM 0 HB2 ALA A 44 18.396 -14.316 -21.152 1.00 74.12 H new ATOM 0 HB3 ALA A 44 19.875 -15.293 -21.306 1.00 74.12 H new ATOM 615 N MET A 45 22.572 -13.913 -21.654 1.00 33.52 N ATOM 616 CA MET A 45 24.001 -13.875 -21.304 1.00 75.14 C ATOM 617 C MET A 45 24.577 -12.471 -21.533 1.00 3.51 C ATOM 618 O MET A 45 25.369 -11.968 -20.739 1.00 45.20 O ATOM 619 CB MET A 45 24.774 -14.884 -22.168 1.00 30.42 C ATOM 620 CG MET A 45 24.450 -16.328 -21.838 1.00 21.22 C ATOM 621 SD MET A 45 25.326 -17.484 -22.921 1.00 31.21 S ATOM 622 CE MET A 45 27.016 -17.420 -22.258 1.00 11.00 C ATOM 0 H MET A 45 22.339 -14.575 -22.394 1.00 33.52 H new ATOM 0 HA MET A 45 24.104 -14.133 -20.250 1.00 75.14 H new ATOM 0 HB2 MET A 45 24.549 -14.699 -23.219 1.00 30.42 H new ATOM 0 HB3 MET A 45 25.844 -14.720 -22.037 1.00 30.42 H new ATOM 0 HG2 MET A 45 24.715 -16.531 -20.801 1.00 21.22 H new ATOM 0 HG3 MET A 45 23.376 -16.489 -21.929 1.00 21.22 H new ATOM 0 HE1 MET A 45 27.650 -18.112 -22.811 1.00 11.00 H new ATOM 0 HE2 MET A 45 27.409 -16.408 -22.359 1.00 11.00 H new ATOM 0 HE3 MET A 45 27.005 -17.701 -21.205 1.00 11.00 H new ATOM 632 N ARG A 46 24.158 -11.815 -22.617 1.00 13.45 N ATOM 633 CA ARG A 46 24.608 -10.441 -22.898 1.00 24.54 C ATOM 634 C ARG A 46 24.065 -9.500 -21.839 1.00 24.20 C ATOM 635 O ARG A 46 24.772 -8.590 -21.402 1.00 45.30 O ATOM 636 CB ARG A 46 24.121 -9.982 -24.284 1.00 1.15 C ATOM 637 CG ARG A 46 24.869 -10.590 -25.467 1.00 51.32 C ATOM 638 CD ARG A 46 26.317 -10.103 -25.523 1.00 23.04 C ATOM 639 NE ARG A 46 26.974 -10.456 -26.795 1.00 44.21 N ATOM 640 CZ ARG A 46 28.243 -10.194 -27.107 1.00 54.41 C ATOM 641 NH1 ARG A 46 29.049 -9.573 -26.277 1.00 20.53 N ATOM 642 NH2 ARG A 46 28.697 -10.544 -28.281 1.00 71.10 N ATOM 0 H ARG A 46 23.517 -12.202 -23.309 1.00 13.45 H new ATOM 0 HA ARG A 46 25.698 -10.425 -22.885 1.00 24.54 H new ATOM 0 HB2 ARG A 46 23.063 -10.226 -24.379 1.00 1.15 H new ATOM 0 HB3 ARG A 46 24.205 -8.897 -24.340 1.00 1.15 H new ATOM 0 HG2 ARG A 46 24.852 -11.677 -25.390 1.00 51.32 H new ATOM 0 HG3 ARG A 46 24.360 -10.328 -26.394 1.00 51.32 H new ATOM 0 HD2 ARG A 46 26.340 -9.021 -25.392 1.00 23.04 H new ATOM 0 HD3 ARG A 46 26.877 -10.536 -24.694 1.00 23.04 H new ATOM 0 HE ARG A 46 26.411 -10.941 -27.494 1.00 44.21 H new ATOM 0 HH11 ARG A 46 28.709 -9.276 -25.362 1.00 20.53 H new ATOM 0 HH12 ARG A 46 30.015 -9.388 -26.547 1.00 20.53 H new ATOM 0 HH21 ARG A 46 28.082 -11.012 -28.947 1.00 71.10 H new ATOM 0 HH22 ARG A 46 29.666 -10.349 -28.532 1.00 71.10 H new ATOM 656 N LEU A 47 22.830 -9.735 -21.415 1.00 63.34 N ATOM 657 CA LEU A 47 22.187 -8.921 -20.372 1.00 25.23 C ATOM 658 C LEU A 47 23.005 -8.940 -19.078 1.00 72.41 C ATOM 659 O LEU A 47 23.247 -7.889 -18.490 1.00 64.23 O ATOM 660 CB LEU A 47 20.729 -9.402 -20.154 1.00 24.53 C ATOM 661 CG LEU A 47 19.761 -8.689 -19.206 1.00 53.32 C ATOM 662 CD1 LEU A 47 19.885 -9.322 -17.810 1.00 75.34 C ATOM 663 CD2 LEU A 47 19.917 -7.159 -19.215 1.00 31.42 C ATOM 0 H LEU A 47 22.243 -10.487 -21.776 1.00 63.34 H new ATOM 0 HA LEU A 47 22.150 -7.882 -20.700 1.00 25.23 H new ATOM 0 HB2 LEU A 47 20.254 -9.412 -21.135 1.00 24.53 H new ATOM 0 HB3 LEU A 47 20.789 -10.437 -19.818 1.00 24.53 H new ATOM 0 HG LEU A 47 18.741 -8.836 -19.560 1.00 53.32 H new ATOM 0 HD11 LEU A 47 19.201 -8.824 -17.123 1.00 75.34 H new ATOM 0 HD12 LEU A 47 19.635 -10.381 -17.867 1.00 75.34 H new ATOM 0 HD13 LEU A 47 20.907 -9.210 -17.449 1.00 75.34 H new ATOM 0 HD21 LEU A 47 19.202 -6.716 -18.522 1.00 31.42 H new ATOM 0 HD22 LEU A 47 20.929 -6.895 -18.910 1.00 31.42 H new ATOM 0 HD23 LEU A 47 19.731 -6.780 -20.220 1.00 31.42 H new ATOM 675 N ILE A 48 23.489 -10.111 -18.665 1.00 54.10 N ATOM 676 CA ILE A 48 24.302 -10.199 -17.444 1.00 54.43 C ATOM 677 C ILE A 48 25.586 -9.384 -17.618 1.00 44.15 C ATOM 678 O ILE A 48 25.989 -8.620 -16.735 1.00 44.44 O ATOM 679 CB ILE A 48 24.700 -11.684 -17.086 1.00 11.14 C ATOM 680 CG1 ILE A 48 23.449 -12.593 -17.024 1.00 14.41 C ATOM 681 CG2 ILE A 48 25.450 -11.715 -15.719 1.00 53.44 C ATOM 682 CD1 ILE A 48 23.729 -14.079 -16.740 1.00 71.43 C ATOM 0 H ILE A 48 23.339 -10.999 -19.145 1.00 54.10 H new ATOM 0 HA ILE A 48 23.693 -9.804 -16.631 1.00 54.43 H new ATOM 0 HB ILE A 48 25.358 -12.062 -17.869 1.00 11.14 H new ATOM 0 HG12 ILE A 48 22.781 -12.212 -16.251 1.00 14.41 H new ATOM 0 HG13 ILE A 48 22.917 -12.515 -17.972 1.00 14.41 H new ATOM 0 HG21 ILE A 48 25.722 -12.742 -15.477 1.00 53.44 H new ATOM 0 HG22 ILE A 48 26.352 -11.106 -15.785 1.00 53.44 H new ATOM 0 HG23 ILE A 48 24.801 -11.318 -14.939 1.00 53.44 H new ATOM 0 HD11 ILE A 48 22.788 -14.629 -16.717 1.00 71.43 H new ATOM 0 HD12 ILE A 48 24.367 -14.485 -17.524 1.00 71.43 H new ATOM 0 HD13 ILE A 48 24.230 -14.177 -15.777 1.00 71.43 H new ATOM 694 N ALA A 49 26.223 -9.544 -18.778 1.00 54.41 N ATOM 695 CA ALA A 49 27.475 -8.856 -19.065 1.00 71.24 C ATOM 696 C ALA A 49 27.314 -7.334 -19.108 1.00 0.21 C ATOM 697 O ALA A 49 28.161 -6.600 -18.637 1.00 12.31 O ATOM 698 CB ALA A 49 28.038 -9.365 -20.391 1.00 1.25 C ATOM 0 H ALA A 49 25.890 -10.145 -19.532 1.00 54.41 H new ATOM 0 HA ALA A 49 28.168 -9.075 -18.252 1.00 71.24 H new ATOM 0 HB1 ALA A 49 28.975 -8.852 -20.609 1.00 1.25 H new ATOM 0 HB2 ALA A 49 28.219 -10.438 -20.322 1.00 1.25 H new ATOM 0 HB3 ALA A 49 27.322 -9.169 -21.189 1.00 1.25 H new ATOM 704 N ARG A 50 26.234 -6.857 -19.705 1.00 13.33 N ATOM 705 CA ARG A 50 26.003 -5.411 -19.859 1.00 11.15 C ATOM 706 C ARG A 50 25.647 -4.750 -18.531 1.00 62.33 C ATOM 707 O ARG A 50 26.092 -3.650 -18.267 1.00 14.23 O ATOM 708 CB ARG A 50 24.904 -5.146 -20.878 1.00 23.53 C ATOM 709 CG ARG A 50 25.316 -5.499 -22.294 1.00 62.41 C ATOM 710 CD ARG A 50 25.818 -4.266 -23.064 1.00 22.32 C ATOM 711 NE ARG A 50 24.701 -3.434 -23.550 1.00 23.53 N ATOM 712 CZ ARG A 50 24.432 -2.193 -23.168 1.00 13.31 C ATOM 713 NH1 ARG A 50 25.139 -1.536 -22.277 1.00 64.33 N ATOM 714 NH2 ARG A 50 23.421 -1.612 -23.719 1.00 33.20 N ATOM 0 H ARG A 50 25.496 -7.443 -20.095 1.00 13.33 H new ATOM 0 HA ARG A 50 26.935 -4.974 -20.216 1.00 11.15 H new ATOM 0 HB2 ARG A 50 24.019 -5.722 -20.608 1.00 23.53 H new ATOM 0 HB3 ARG A 50 24.624 -4.093 -20.838 1.00 23.53 H new ATOM 0 HG2 ARG A 50 26.100 -6.255 -22.267 1.00 62.41 H new ATOM 0 HG3 ARG A 50 24.469 -5.937 -22.821 1.00 62.41 H new ATOM 0 HD2 ARG A 50 26.461 -3.670 -22.417 1.00 22.32 H new ATOM 0 HD3 ARG A 50 26.427 -4.588 -23.909 1.00 22.32 H new ATOM 0 HE ARG A 50 24.079 -3.851 -24.243 1.00 23.53 H new ATOM 0 HH11 ARG A 50 25.945 -1.980 -21.838 1.00 64.33 H new ATOM 0 HH12 ARG A 50 24.882 -0.582 -22.024 1.00 64.33 H new ATOM 0 HH21 ARG A 50 22.866 -2.107 -24.417 1.00 33.20 H new ATOM 0 HH22 ARG A 50 23.176 -0.657 -23.456 1.00 33.20 H new ATOM 728 N ILE A 51 24.938 -5.468 -17.667 1.00 31.24 N ATOM 729 CA ILE A 51 24.702 -4.964 -16.302 1.00 74.43 C ATOM 730 C ILE A 51 26.051 -4.859 -15.590 1.00 61.15 C ATOM 731 O ILE A 51 26.302 -3.913 -14.845 1.00 62.43 O ATOM 732 CB ILE A 51 23.712 -5.892 -15.500 1.00 35.11 C ATOM 733 CG1 ILE A 51 22.295 -5.804 -16.109 1.00 11.33 C ATOM 734 CG2 ILE A 51 23.629 -5.480 -13.994 1.00 23.34 C ATOM 735 CD1 ILE A 51 21.311 -6.900 -15.616 1.00 74.51 C ATOM 0 H ILE A 51 24.523 -6.377 -17.870 1.00 31.24 H new ATOM 0 HA ILE A 51 24.230 -3.983 -16.357 1.00 74.43 H new ATOM 0 HB ILE A 51 24.095 -6.910 -15.567 1.00 35.11 H new ATOM 0 HG12 ILE A 51 21.874 -4.826 -15.877 1.00 11.33 H new ATOM 0 HG13 ILE A 51 22.375 -5.868 -17.194 1.00 11.33 H new ATOM 0 HG21 ILE A 51 22.937 -6.142 -13.473 1.00 23.34 H new ATOM 0 HG22 ILE A 51 24.617 -5.558 -13.540 1.00 23.34 H new ATOM 0 HG23 ILE A 51 23.275 -4.452 -13.917 1.00 23.34 H new ATOM 0 HD11 ILE A 51 20.342 -6.761 -16.095 1.00 74.51 H new ATOM 0 HD12 ILE A 51 21.704 -7.884 -15.872 1.00 74.51 H new ATOM 0 HD13 ILE A 51 21.195 -6.825 -14.535 1.00 74.51 H new ATOM 747 N ARG A 52 26.950 -5.797 -15.831 1.00 71.42 N ATOM 748 CA ARG A 52 28.286 -5.733 -15.228 1.00 24.12 C ATOM 749 C ARG A 52 29.137 -4.573 -15.757 1.00 3.23 C ATOM 750 O ARG A 52 29.950 -4.051 -15.039 1.00 65.40 O ATOM 751 CB ARG A 52 29.010 -7.063 -15.436 1.00 24.00 C ATOM 752 CG ARG A 52 29.748 -7.561 -14.193 1.00 20.42 C ATOM 753 CD ARG A 52 31.011 -6.728 -13.892 1.00 74.42 C ATOM 754 NE ARG A 52 31.849 -7.364 -12.880 1.00 51.12 N ATOM 755 CZ ARG A 52 33.060 -6.937 -12.534 1.00 31.21 C ATOM 756 NH1 ARG A 52 33.663 -5.926 -13.142 1.00 23.32 N ATOM 757 NH2 ARG A 52 33.695 -7.522 -11.556 1.00 5.12 N ATOM 0 H ARG A 52 26.790 -6.606 -16.431 1.00 71.42 H new ATOM 0 HA ARG A 52 28.145 -5.546 -14.164 1.00 24.12 H new ATOM 0 HB2 ARG A 52 28.285 -7.817 -15.744 1.00 24.00 H new ATOM 0 HB3 ARG A 52 29.724 -6.954 -16.253 1.00 24.00 H new ATOM 0 HG2 ARG A 52 29.077 -7.523 -13.335 1.00 20.42 H new ATOM 0 HG3 ARG A 52 30.028 -8.605 -14.333 1.00 20.42 H new ATOM 0 HD2 ARG A 52 31.586 -6.594 -14.809 1.00 74.42 H new ATOM 0 HD3 ARG A 52 30.719 -5.735 -13.551 1.00 74.42 H new ATOM 0 HE ARG A 52 31.482 -8.190 -12.407 1.00 51.12 H new ATOM 0 HH11 ARG A 52 33.197 -5.441 -13.909 1.00 23.32 H new ATOM 0 HH12 ARG A 52 34.593 -5.632 -12.843 1.00 23.32 H new ATOM 0 HH21 ARG A 52 33.262 -8.302 -11.062 1.00 5.12 H new ATOM 0 HH22 ARG A 52 34.624 -7.199 -11.286 1.00 5.12 H new ATOM 771 N GLU A 53 28.924 -4.172 -16.992 1.00 42.11 N ATOM 772 CA GLU A 53 29.635 -3.021 -17.544 1.00 45.53 C ATOM 773 C GLU A 53 29.162 -1.737 -16.849 1.00 61.24 C ATOM 774 O GLU A 53 29.965 -0.947 -16.368 1.00 61.42 O ATOM 775 CB GLU A 53 29.382 -2.932 -19.050 1.00 63.43 C ATOM 776 CG GLU A 53 30.629 -3.022 -19.906 1.00 14.24 C ATOM 777 CD GLU A 53 31.390 -1.709 -19.996 1.00 65.02 C ATOM 778 OE1 GLU A 53 30.833 -0.742 -20.563 1.00 1.44 O ATOM 779 OE2 GLU A 53 32.569 -1.660 -19.570 1.00 31.33 O ATOM 0 H GLU A 53 28.270 -4.618 -17.636 1.00 42.11 H new ATOM 0 HA GLU A 53 30.705 -3.140 -17.373 1.00 45.53 H new ATOM 0 HB2 GLU A 53 28.701 -3.732 -19.339 1.00 63.43 H new ATOM 0 HB3 GLU A 53 28.877 -1.990 -19.265 1.00 63.43 H new ATOM 0 HG2 GLU A 53 31.287 -3.789 -19.498 1.00 14.24 H new ATOM 0 HG3 GLU A 53 30.350 -3.343 -20.910 1.00 14.24 H new ATOM 786 N GLU A 54 27.849 -1.542 -16.831 1.00 25.55 N ATOM 787 CA GLU A 54 27.247 -0.301 -16.325 1.00 71.40 C ATOM 788 C GLU A 54 27.215 -0.170 -14.794 1.00 41.34 C ATOM 789 O GLU A 54 27.419 0.905 -14.252 1.00 61.43 O ATOM 790 CB GLU A 54 25.792 -0.217 -16.858 1.00 3.21 C ATOM 791 CG GLU A 54 25.649 -0.151 -18.382 1.00 71.54 C ATOM 792 CD GLU A 54 25.877 1.232 -18.982 1.00 61.31 C ATOM 793 OE1 GLU A 54 25.706 2.246 -18.269 1.00 31.25 O ATOM 794 OE2 GLU A 54 26.134 1.303 -20.207 1.00 75.44 O ATOM 0 H GLU A 54 27.171 -2.229 -17.162 1.00 25.55 H new ATOM 0 HA GLU A 54 27.880 0.512 -16.680 1.00 71.40 H new ATOM 0 HB2 GLU A 54 25.241 -1.085 -16.496 1.00 3.21 H new ATOM 0 HB3 GLU A 54 25.317 0.664 -16.428 1.00 3.21 H new ATOM 0 HG2 GLU A 54 26.357 -0.848 -18.831 1.00 71.54 H new ATOM 0 HG3 GLU A 54 24.650 -0.491 -18.655 1.00 71.54 H new ATOM 801 N LEU A 55 26.894 -1.256 -14.101 1.00 21.10 N ATOM 802 CA LEU A 55 26.683 -1.221 -12.653 1.00 43.14 C ATOM 803 C LEU A 55 27.778 -1.996 -11.873 1.00 32.41 C ATOM 804 O LEU A 55 27.818 -1.978 -10.659 1.00 42.11 O ATOM 805 CB LEU A 55 25.307 -1.808 -12.309 1.00 61.23 C ATOM 806 CG LEU A 55 24.102 -0.856 -12.298 1.00 22.34 C ATOM 807 CD1 LEU A 55 24.164 0.083 -11.092 1.00 24.51 C ATOM 808 CD2 LEU A 55 23.950 -0.026 -13.577 1.00 62.34 C ATOM 0 H LEU A 55 26.773 -2.179 -14.519 1.00 21.10 H new ATOM 0 HA LEU A 55 26.737 -0.175 -12.350 1.00 43.14 H new ATOM 0 HB2 LEU A 55 25.096 -2.606 -13.021 1.00 61.23 H new ATOM 0 HB3 LEU A 55 25.377 -2.270 -11.324 1.00 61.23 H new ATOM 0 HG LEU A 55 23.226 -1.502 -12.233 1.00 22.34 H new ATOM 0 HD11 LEU A 55 23.301 0.748 -11.104 1.00 24.51 H new ATOM 0 HD12 LEU A 55 24.157 -0.504 -10.173 1.00 24.51 H new ATOM 0 HD13 LEU A 55 25.079 0.674 -11.138 1.00 24.51 H new ATOM 0 HD21 LEU A 55 23.076 0.620 -13.490 1.00 62.34 H new ATOM 0 HD22 LEU A 55 24.841 0.585 -13.722 1.00 62.34 H new ATOM 0 HD23 LEU A 55 23.825 -0.692 -14.430 1.00 62.34 H new ATOM 820 N GLY A 56 28.662 -2.678 -12.603 1.00 52.42 N ATOM 821 CA GLY A 56 29.789 -3.371 -11.988 1.00 64.44 C ATOM 822 C GLY A 56 29.454 -4.692 -11.305 1.00 73.00 C ATOM 823 O GLY A 56 30.230 -5.155 -10.458 1.00 11.14 O ATOM 0 H GLY A 56 28.617 -2.764 -13.618 1.00 52.42 H new ATOM 0 HA2 GLY A 56 30.540 -3.559 -12.755 1.00 64.44 H new ATOM 0 HA3 GLY A 56 30.244 -2.707 -11.253 1.00 64.44 H new ATOM 827 N VAL A 57 28.240 -5.209 -11.541 1.00 64.31 N ATOM 828 CA VAL A 57 27.750 -6.384 -10.833 1.00 52.13 C ATOM 829 C VAL A 57 27.117 -7.411 -11.723 1.00 5.15 C ATOM 830 O VAL A 57 26.563 -7.077 -12.758 1.00 15.43 O ATOM 831 CB VAL A 57 26.675 -5.915 -9.755 1.00 34.30 C ATOM 832 CG1 VAL A 57 27.326 -5.104 -8.617 1.00 55.33 C ATOM 833 CG2 VAL A 57 25.548 -5.121 -10.389 1.00 45.02 C ATOM 0 H VAL A 57 27.583 -4.825 -12.220 1.00 64.31 H new ATOM 0 HA VAL A 57 28.617 -6.858 -10.374 1.00 52.13 H new ATOM 0 HB VAL A 57 26.249 -6.822 -9.327 1.00 34.30 H new ATOM 0 HG11 VAL A 57 26.561 -4.802 -7.902 1.00 55.33 H new ATOM 0 HG12 VAL A 57 28.072 -5.719 -8.113 1.00 55.33 H new ATOM 0 HG13 VAL A 57 27.806 -4.217 -9.031 1.00 55.33 H new ATOM 0 HG21 VAL A 57 24.837 -4.820 -9.619 1.00 45.02 H new ATOM 0 HG22 VAL A 57 25.956 -4.233 -10.873 1.00 45.02 H new ATOM 0 HG23 VAL A 57 25.041 -5.738 -11.131 1.00 45.02 H new ATOM 843 N ASP A 58 27.237 -8.660 -11.317 1.00 74.13 N ATOM 844 CA ASP A 58 26.780 -9.792 -12.081 1.00 43.24 C ATOM 845 C ASP A 58 25.761 -10.573 -11.269 1.00 34.41 C ATOM 846 O ASP A 58 25.692 -10.434 -10.047 1.00 72.12 O ATOM 847 CB ASP A 58 27.939 -10.734 -12.377 1.00 21.11 C ATOM 848 CG ASP A 58 28.334 -11.523 -11.149 1.00 60.14 C ATOM 849 OD1 ASP A 58 28.867 -10.913 -10.181 1.00 2.41 O ATOM 850 OD2 ASP A 58 28.010 -12.733 -11.093 1.00 4.12 O ATOM 0 H ASP A 58 27.665 -8.916 -10.427 1.00 74.13 H new ATOM 0 HA ASP A 58 26.345 -9.422 -13.010 1.00 43.24 H new ATOM 0 HB2 ASP A 58 27.658 -11.419 -13.177 1.00 21.11 H new ATOM 0 HB3 ASP A 58 28.794 -10.160 -12.734 1.00 21.11 H new ATOM 855 N LEU A 59 24.995 -11.427 -11.936 1.00 2.30 N ATOM 856 CA LEU A 59 24.095 -12.352 -11.255 1.00 4.23 C ATOM 857 C LEU A 59 24.288 -13.704 -11.929 1.00 13.20 C ATOM 858 O LEU A 59 24.379 -13.765 -13.156 1.00 64.14 O ATOM 859 CB LEU A 59 22.630 -11.911 -11.406 1.00 53.32 C ATOM 860 CG LEU A 59 22.271 -10.541 -10.798 1.00 10.22 C ATOM 861 CD1 LEU A 59 22.112 -9.481 -11.897 1.00 15.54 C ATOM 862 CD2 LEU A 59 20.983 -10.646 -9.982 1.00 44.34 C ATOM 0 H LEU A 59 24.979 -11.499 -12.953 1.00 2.30 H new ATOM 0 HA LEU A 59 24.317 -12.387 -10.188 1.00 4.23 H new ATOM 0 HB2 LEU A 59 22.385 -11.890 -12.468 1.00 53.32 H new ATOM 0 HB3 LEU A 59 21.994 -12.668 -10.947 1.00 53.32 H new ATOM 0 HG LEU A 59 23.085 -10.236 -10.140 1.00 10.22 H new ATOM 0 HD11 LEU A 59 21.859 -8.522 -11.444 1.00 15.54 H new ATOM 0 HD12 LEU A 59 23.047 -9.386 -12.449 1.00 15.54 H new ATOM 0 HD13 LEU A 59 21.317 -9.781 -12.580 1.00 15.54 H new ATOM 0 HD21 LEU A 59 20.740 -9.672 -9.558 1.00 44.34 H new ATOM 0 HD22 LEU A 59 20.169 -10.973 -10.628 1.00 44.34 H new ATOM 0 HD23 LEU A 59 21.120 -11.368 -9.177 1.00 44.34 H new ATOM 874 N PRO A 60 24.282 -14.809 -11.165 1.00 4.40 N ATOM 875 CA PRO A 60 24.304 -16.078 -11.904 1.00 40.14 C ATOM 876 C PRO A 60 22.968 -16.301 -12.619 1.00 2.42 C ATOM 877 O PRO A 60 21.930 -15.799 -12.194 1.00 23.23 O ATOM 878 CB PRO A 60 24.534 -17.114 -10.804 1.00 40.55 C ATOM 879 CG PRO A 60 23.918 -16.511 -9.582 1.00 72.33 C ATOM 880 CD PRO A 60 24.216 -15.026 -9.705 1.00 4.54 C ATOM 0 HA PRO A 60 25.064 -16.120 -12.684 1.00 40.14 H new ATOM 0 HB2 PRO A 60 24.068 -18.067 -11.054 1.00 40.55 H new ATOM 0 HB3 PRO A 60 25.597 -17.308 -10.658 1.00 40.55 H new ATOM 0 HG2 PRO A 60 22.845 -16.700 -9.543 1.00 72.33 H new ATOM 0 HG3 PRO A 60 24.348 -16.929 -8.672 1.00 72.33 H new ATOM 0 HD2 PRO A 60 23.436 -14.420 -9.244 1.00 4.54 H new ATOM 0 HD3 PRO A 60 25.154 -14.763 -9.217 1.00 4.54 H new ATOM 888 N ILE A 61 22.982 -17.072 -13.703 1.00 70.52 N ATOM 889 CA ILE A 61 21.770 -17.315 -14.486 1.00 31.41 C ATOM 890 C ILE A 61 20.653 -17.954 -13.645 1.00 74.43 C ATOM 891 O ILE A 61 19.479 -17.710 -13.875 1.00 45.42 O ATOM 892 CB ILE A 61 22.112 -18.172 -15.769 1.00 23.11 C ATOM 893 CG1 ILE A 61 20.940 -18.146 -16.769 1.00 62.32 C ATOM 894 CG2 ILE A 61 22.489 -19.645 -15.399 1.00 32.35 C ATOM 895 CD1 ILE A 61 20.728 -16.779 -17.477 1.00 53.02 C ATOM 0 H ILE A 61 23.816 -17.539 -14.060 1.00 70.52 H new ATOM 0 HA ILE A 61 21.383 -16.351 -14.815 1.00 31.41 H new ATOM 0 HB ILE A 61 22.984 -17.719 -16.242 1.00 23.11 H new ATOM 0 HG12 ILE A 61 21.108 -18.911 -17.527 1.00 62.32 H new ATOM 0 HG13 ILE A 61 20.024 -18.414 -16.243 1.00 62.32 H new ATOM 0 HG21 ILE A 61 22.717 -20.201 -16.308 1.00 32.35 H new ATOM 0 HG22 ILE A 61 23.361 -19.644 -14.745 1.00 32.35 H new ATOM 0 HG23 ILE A 61 21.651 -20.117 -14.885 1.00 32.35 H new ATOM 0 HD11 ILE A 61 19.884 -16.851 -18.162 1.00 53.02 H new ATOM 0 HD12 ILE A 61 20.525 -16.011 -16.731 1.00 53.02 H new ATOM 0 HD13 ILE A 61 21.626 -16.515 -18.035 1.00 53.02 H new ATOM 907 N ARG A 62 21.022 -18.694 -12.604 1.00 54.42 N ATOM 908 CA ARG A 62 20.021 -19.282 -11.695 1.00 1.42 C ATOM 909 C ARG A 62 19.240 -18.208 -10.931 1.00 34.11 C ATOM 910 O ARG A 62 18.062 -18.376 -10.640 1.00 4.11 O ATOM 911 CB ARG A 62 20.683 -20.210 -10.675 1.00 22.23 C ATOM 912 CG ARG A 62 21.362 -21.432 -11.280 1.00 52.34 C ATOM 913 CD ARG A 62 21.903 -22.336 -10.186 1.00 31.34 C ATOM 914 NE ARG A 62 20.819 -22.958 -9.411 1.00 73.42 N ATOM 915 CZ ARG A 62 20.982 -23.666 -8.299 1.00 1.11 C ATOM 916 NH1 ARG A 62 22.164 -23.900 -7.772 1.00 12.41 N ATOM 917 NH2 ARG A 62 19.931 -24.148 -7.699 1.00 41.30 N ATOM 0 H ARG A 62 21.991 -18.904 -12.364 1.00 54.42 H new ATOM 0 HA ARG A 62 19.332 -19.846 -12.323 1.00 1.42 H new ATOM 0 HB2 ARG A 62 21.422 -19.641 -10.111 1.00 22.23 H new ATOM 0 HB3 ARG A 62 19.928 -20.545 -9.963 1.00 22.23 H new ATOM 0 HG2 ARG A 62 20.651 -21.982 -11.896 1.00 52.34 H new ATOM 0 HG3 ARG A 62 22.175 -21.117 -11.935 1.00 52.34 H new ATOM 0 HD2 ARG A 62 22.525 -23.113 -10.630 1.00 31.34 H new ATOM 0 HD3 ARG A 62 22.542 -21.758 -9.519 1.00 31.34 H new ATOM 0 HE ARG A 62 19.866 -22.836 -9.755 1.00 73.42 H new ATOM 0 HH11 ARG A 62 23.004 -23.532 -8.219 1.00 12.41 H new ATOM 0 HH12 ARG A 62 22.241 -24.449 -6.916 1.00 12.41 H new ATOM 0 HH21 ARG A 62 19.002 -23.979 -8.084 1.00 41.30 H new ATOM 0 HH22 ARG A 62 20.037 -24.694 -6.844 1.00 41.30 H new ATOM 931 N GLN A 63 19.892 -17.100 -10.606 1.00 72.31 N ATOM 932 CA GLN A 63 19.237 -16.017 -9.891 1.00 0.20 C ATOM 933 C GLN A 63 18.317 -15.285 -10.834 1.00 61.14 C ATOM 934 O GLN A 63 17.212 -14.943 -10.474 1.00 74.12 O ATOM 935 CB GLN A 63 20.267 -15.036 -9.293 1.00 52.13 C ATOM 936 CG GLN A 63 19.648 -13.869 -8.512 1.00 35.44 C ATOM 937 CD GLN A 63 18.805 -14.350 -7.346 1.00 52.10 C ATOM 938 OE1 GLN A 63 19.297 -14.956 -6.412 1.00 15.41 O ATOM 939 NE2 GLN A 63 17.531 -14.085 -7.399 1.00 72.35 N ATOM 0 H GLN A 63 20.873 -16.929 -10.827 1.00 72.31 H new ATOM 0 HA GLN A 63 18.664 -16.442 -9.067 1.00 0.20 H new ATOM 0 HB2 GLN A 63 20.935 -15.587 -8.631 1.00 52.13 H new ATOM 0 HB3 GLN A 63 20.879 -14.634 -10.100 1.00 52.13 H new ATOM 0 HG2 GLN A 63 20.441 -13.219 -8.142 1.00 35.44 H new ATOM 0 HG3 GLN A 63 19.032 -13.270 -9.183 1.00 35.44 H new ATOM 0 HE21 GLN A 63 17.149 -13.575 -8.195 1.00 72.35 H new ATOM 0 HE22 GLN A 63 16.915 -14.387 -6.644 1.00 72.35 H new ATOM 948 N LEU A 64 18.762 -15.098 -12.071 1.00 3.23 N ATOM 949 CA LEU A 64 17.943 -14.426 -13.082 1.00 13.03 C ATOM 950 C LEU A 64 16.658 -15.206 -13.324 1.00 44.52 C ATOM 951 O LEU A 64 15.603 -14.642 -13.493 1.00 34.24 O ATOM 952 CB LEU A 64 18.717 -14.305 -14.391 1.00 61.33 C ATOM 953 CG LEU A 64 18.913 -12.856 -14.874 1.00 73.51 C ATOM 954 CD1 LEU A 64 19.872 -12.863 -16.052 1.00 14.53 C ATOM 955 CD2 LEU A 64 17.581 -12.192 -15.297 1.00 2.22 C ATOM 0 H LEU A 64 19.679 -15.399 -12.400 1.00 3.23 H new ATOM 0 HA LEU A 64 17.694 -13.429 -12.717 1.00 13.03 H new ATOM 0 HB2 LEU A 64 19.695 -14.771 -14.267 1.00 61.33 H new ATOM 0 HB3 LEU A 64 18.192 -14.866 -15.164 1.00 61.33 H new ATOM 0 HG LEU A 64 19.315 -12.274 -14.045 1.00 73.51 H new ATOM 0 HD11 LEU A 64 20.021 -11.843 -16.406 1.00 14.53 H new ATOM 0 HD12 LEU A 64 20.828 -13.282 -15.740 1.00 14.53 H new ATOM 0 HD13 LEU A 64 19.455 -13.469 -16.857 1.00 14.53 H new ATOM 0 HD21 LEU A 64 17.773 -11.172 -15.629 1.00 2.22 H new ATOM 0 HD22 LEU A 64 17.133 -12.761 -16.112 1.00 2.22 H new ATOM 0 HD23 LEU A 64 16.897 -12.175 -14.448 1.00 2.22 H new ATOM 967 N PHE A 65 16.734 -16.522 -13.267 1.00 54.42 N ATOM 968 CA PHE A 65 15.535 -17.361 -13.451 1.00 43.10 C ATOM 969 C PHE A 65 14.611 -17.327 -12.234 1.00 14.32 C ATOM 970 O PHE A 65 13.431 -17.599 -12.348 1.00 41.42 O ATOM 971 CB PHE A 65 15.938 -18.800 -13.765 1.00 21.51 C ATOM 972 CG PHE A 65 16.068 -19.073 -15.242 1.00 62.25 C ATOM 973 CD1 PHE A 65 17.014 -18.377 -16.025 1.00 23.44 C ATOM 974 CD2 PHE A 65 15.231 -20.013 -15.865 1.00 42.12 C ATOM 975 CE1 PHE A 65 17.112 -18.620 -17.411 1.00 63.14 C ATOM 976 CE2 PHE A 65 15.319 -20.260 -17.248 1.00 64.51 C ATOM 977 CZ PHE A 65 16.259 -19.567 -18.027 1.00 73.34 C ATOM 0 H PHE A 65 17.596 -17.041 -13.098 1.00 54.42 H new ATOM 0 HA PHE A 65 14.979 -16.948 -14.293 1.00 43.10 H new ATOM 0 HB2 PHE A 65 16.888 -19.019 -13.277 1.00 21.51 H new ATOM 0 HB3 PHE A 65 15.198 -19.478 -13.341 1.00 21.51 H new ATOM 0 HD1 PHE A 65 17.667 -17.654 -15.560 1.00 23.44 H new ATOM 0 HD2 PHE A 65 14.508 -20.555 -15.273 1.00 42.12 H new ATOM 0 HE1 PHE A 65 17.839 -18.083 -18.003 1.00 63.14 H new ATOM 0 HE2 PHE A 65 14.663 -20.983 -17.710 1.00 64.51 H new ATOM 0 HZ PHE A 65 16.331 -19.755 -19.088 1.00 73.34 H new ATOM 987 N SER A 66 15.156 -16.961 -11.079 1.00 5.44 N ATOM 988 CA SER A 66 14.370 -16.831 -9.839 1.00 72.33 C ATOM 989 C SER A 66 13.803 -15.418 -9.684 1.00 13.21 C ATOM 990 O SER A 66 12.977 -15.148 -8.818 1.00 45.33 O ATOM 991 CB SER A 66 15.265 -17.111 -8.617 1.00 65.34 C ATOM 992 OG SER A 66 15.897 -18.379 -8.791 1.00 22.02 O ATOM 0 H SER A 66 16.147 -16.746 -10.967 1.00 5.44 H new ATOM 0 HA SER A 66 13.552 -17.549 -9.898 1.00 72.33 H new ATOM 0 HB2 SER A 66 16.015 -16.327 -8.511 1.00 65.34 H new ATOM 0 HB3 SER A 66 14.669 -17.108 -7.704 1.00 65.34 H new ATOM 0 HG SER A 66 16.626 -18.295 -9.440 1.00 22.02 H new ATOM 998 N SER A 67 14.333 -14.497 -10.487 1.00 23.20 N ATOM 999 CA SER A 67 13.921 -13.092 -10.488 1.00 44.15 C ATOM 1000 C SER A 67 14.075 -12.499 -11.890 1.00 72.11 C ATOM 1001 O SER A 67 15.001 -11.748 -12.147 1.00 62.43 O ATOM 1002 CB SER A 67 14.746 -12.310 -9.461 1.00 11.01 C ATOM 1003 OG SER A 67 16.143 -12.408 -9.742 1.00 31.30 O ATOM 0 H SER A 67 15.068 -14.706 -11.163 1.00 23.20 H new ATOM 0 HA SER A 67 12.870 -13.022 -10.208 1.00 44.15 H new ATOM 0 HB2 SER A 67 14.443 -11.263 -9.468 1.00 11.01 H new ATOM 0 HB3 SER A 67 14.545 -12.693 -8.461 1.00 11.01 H new ATOM 0 HG SER A 67 16.363 -13.330 -9.992 1.00 31.30 H new ATOM 1009 N PRO A 68 13.214 -12.907 -12.849 1.00 14.12 N ATOM 1010 CA PRO A 68 13.375 -12.515 -14.252 1.00 62.15 C ATOM 1011 C PRO A 68 12.908 -11.094 -14.629 1.00 10.44 C ATOM 1012 O PRO A 68 13.144 -10.668 -15.750 1.00 51.51 O ATOM 1013 CB PRO A 68 12.541 -13.561 -14.984 1.00 64.02 C ATOM 1014 CG PRO A 68 11.432 -13.844 -14.044 1.00 14.23 C ATOM 1015 CD PRO A 68 12.076 -13.816 -12.675 1.00 63.31 C ATOM 0 HA PRO A 68 14.434 -12.479 -14.509 1.00 62.15 H new ATOM 0 HB2 PRO A 68 12.172 -13.183 -15.937 1.00 64.02 H new ATOM 0 HB3 PRO A 68 13.122 -14.458 -15.200 1.00 64.02 H new ATOM 0 HG2 PRO A 68 10.642 -13.097 -14.126 1.00 14.23 H new ATOM 0 HG3 PRO A 68 10.977 -14.813 -14.248 1.00 14.23 H new ATOM 0 HD2 PRO A 68 11.385 -13.453 -11.914 1.00 63.31 H new ATOM 0 HD3 PRO A 68 12.400 -14.809 -12.364 1.00 63.31 H new ATOM 1023 N THR A 69 12.229 -10.413 -13.720 1.00 41.14 N ATOM 1024 CA THR A 69 11.727 -9.065 -13.971 1.00 43.13 C ATOM 1025 C THR A 69 12.730 -8.056 -13.447 1.00 43.52 C ATOM 1026 O THR A 69 13.458 -8.340 -12.484 1.00 35.33 O ATOM 1027 CB THR A 69 10.403 -8.799 -13.238 1.00 74.24 C ATOM 1028 OG1 THR A 69 10.588 -8.977 -11.835 1.00 73.44 O ATOM 1029 CG2 THR A 69 9.330 -9.735 -13.706 1.00 45.13 C ATOM 0 H THR A 69 12.009 -10.773 -12.791 1.00 41.14 H new ATOM 0 HA THR A 69 11.572 -8.974 -15.046 1.00 43.13 H new ATOM 0 HB THR A 69 10.097 -7.775 -13.454 1.00 74.24 H new ATOM 0 HG1 THR A 69 9.743 -8.805 -11.369 1.00 73.44 H new ATOM 0 HG21 THR A 69 8.404 -9.524 -13.171 1.00 45.13 H new ATOM 0 HG22 THR A 69 9.170 -9.599 -14.776 1.00 45.13 H new ATOM 0 HG23 THR A 69 9.635 -10.764 -13.513 1.00 45.13 H new ATOM 1037 N PRO A 70 12.763 -6.826 -14.051 1.00 62.41 N ATOM 1038 CA PRO A 70 13.650 -5.833 -13.424 1.00 32.45 C ATOM 1039 C PRO A 70 13.469 -5.628 -11.944 1.00 30.54 C ATOM 1040 O PRO A 70 14.433 -5.425 -11.250 1.00 23.02 O ATOM 1041 CB PRO A 70 13.309 -4.516 -14.210 1.00 65.33 C ATOM 1042 CG PRO A 70 12.873 -5.056 -15.523 1.00 34.25 C ATOM 1043 CD PRO A 70 12.076 -6.274 -15.222 1.00 70.53 C ATOM 0 HA PRO A 70 14.687 -6.164 -13.487 1.00 32.45 H new ATOM 0 HB2 PRO A 70 12.523 -3.940 -13.722 1.00 65.33 H new ATOM 0 HB3 PRO A 70 14.174 -3.859 -14.304 1.00 65.33 H new ATOM 0 HG2 PRO A 70 12.276 -4.324 -16.067 1.00 34.25 H new ATOM 0 HG3 PRO A 70 13.731 -5.297 -16.150 1.00 34.25 H new ATOM 0 HD2 PRO A 70 11.035 -6.034 -15.005 1.00 70.53 H new ATOM 0 HD3 PRO A 70 12.074 -6.974 -16.058 1.00 70.53 H new ATOM 1051 N ALA A 71 12.244 -5.568 -11.479 1.00 24.13 N ATOM 1052 CA ALA A 71 12.018 -5.300 -10.128 1.00 54.24 C ATOM 1053 C ALA A 71 12.595 -6.417 -9.231 1.00 1.22 C ATOM 1054 O ALA A 71 13.183 -6.179 -8.172 1.00 34.11 O ATOM 1055 CB ALA A 71 10.500 -5.150 -9.840 1.00 51.52 C ATOM 0 H ALA A 71 11.403 -5.705 -12.039 1.00 24.13 H new ATOM 0 HA ALA A 71 12.524 -4.363 -9.897 1.00 54.24 H new ATOM 0 HB1 ALA A 71 10.349 -4.942 -8.781 1.00 51.52 H new ATOM 0 HB2 ALA A 71 10.097 -4.329 -10.432 1.00 51.52 H new ATOM 0 HB3 ALA A 71 9.986 -6.074 -10.104 1.00 51.52 H new ATOM 1061 N GLY A 72 12.533 -7.636 -9.761 1.00 11.00 N ATOM 1062 CA GLY A 72 13.068 -8.785 -9.050 1.00 53.44 C ATOM 1063 C GLY A 72 14.577 -8.765 -8.992 1.00 14.04 C ATOM 1064 O GLY A 72 15.179 -9.051 -7.966 1.00 25.42 O ATOM 0 H GLY A 72 12.122 -7.849 -10.670 1.00 11.00 H new ATOM 0 HA2 GLY A 72 12.667 -8.803 -8.037 1.00 53.44 H new ATOM 0 HA3 GLY A 72 12.737 -9.701 -9.540 1.00 53.44 H new ATOM 1068 N VAL A 73 15.199 -8.382 -10.095 1.00 41.30 N ATOM 1069 CA VAL A 73 16.655 -8.291 -10.147 1.00 64.24 C ATOM 1070 C VAL A 73 17.144 -7.178 -9.226 1.00 73.11 C ATOM 1071 O VAL A 73 18.169 -7.322 -8.553 1.00 11.24 O ATOM 1072 CB VAL A 73 17.157 -8.036 -11.603 1.00 53.23 C ATOM 1073 CG1 VAL A 73 18.681 -7.854 -11.656 1.00 22.43 C ATOM 1074 CG2 VAL A 73 16.774 -9.203 -12.502 1.00 22.43 C ATOM 0 H VAL A 73 14.726 -8.130 -10.963 1.00 41.30 H new ATOM 0 HA VAL A 73 17.063 -9.244 -9.811 1.00 64.24 H new ATOM 0 HB VAL A 73 16.683 -7.118 -11.951 1.00 53.23 H new ATOM 0 HG11 VAL A 73 18.991 -7.679 -12.686 1.00 22.43 H new ATOM 0 HG12 VAL A 73 18.967 -7.001 -11.041 1.00 22.43 H new ATOM 0 HG13 VAL A 73 19.168 -8.753 -11.279 1.00 22.43 H new ATOM 0 HG21 VAL A 73 17.129 -9.014 -13.515 1.00 22.43 H new ATOM 0 HG22 VAL A 73 17.228 -10.119 -12.123 1.00 22.43 H new ATOM 0 HG23 VAL A 73 15.690 -9.313 -12.513 1.00 22.43 H new ATOM 1084 N ALA A 74 16.395 -6.085 -9.132 1.00 64.32 N ATOM 1085 CA ALA A 74 16.796 -4.973 -8.284 1.00 13.10 C ATOM 1086 C ALA A 74 16.948 -5.396 -6.817 1.00 53.34 C ATOM 1087 O ALA A 74 17.954 -5.073 -6.181 1.00 44.11 O ATOM 1088 CB ALA A 74 15.781 -3.820 -8.403 1.00 3.53 C ATOM 0 H ALA A 74 15.515 -5.947 -9.628 1.00 64.32 H new ATOM 0 HA ALA A 74 17.772 -4.632 -8.630 1.00 13.10 H new ATOM 0 HB1 ALA A 74 16.092 -2.994 -7.764 1.00 3.53 H new ATOM 0 HB2 ALA A 74 15.735 -3.481 -9.438 1.00 3.53 H new ATOM 0 HB3 ALA A 74 14.796 -4.169 -8.092 1.00 3.53 H new ATOM 1094 N ARG A 75 15.984 -6.142 -6.281 1.00 64.24 N ATOM 1095 CA ARG A 75 16.095 -6.595 -4.885 1.00 44.15 C ATOM 1096 C ARG A 75 17.202 -7.632 -4.713 1.00 42.24 C ATOM 1097 O ARG A 75 17.822 -7.726 -3.650 1.00 15.51 O ATOM 1098 CB ARG A 75 14.771 -7.122 -4.347 1.00 31.42 C ATOM 1099 CG ARG A 75 14.212 -8.366 -5.027 1.00 15.12 C ATOM 1100 CD ARG A 75 13.018 -8.923 -4.253 1.00 12.04 C ATOM 1101 NE ARG A 75 13.428 -9.526 -2.972 1.00 35.33 N ATOM 1102 CZ ARG A 75 13.802 -10.793 -2.807 1.00 51.42 C ATOM 1103 NH1 ARG A 75 13.830 -11.658 -3.791 1.00 14.54 N ATOM 1104 NH2 ARG A 75 14.160 -11.187 -1.611 1.00 10.13 N ATOM 0 H ARG A 75 15.140 -6.441 -6.769 1.00 64.24 H new ATOM 0 HA ARG A 75 16.363 -5.718 -4.295 1.00 44.15 H new ATOM 0 HB2 ARG A 75 14.895 -7.339 -3.286 1.00 31.42 H new ATOM 0 HB3 ARG A 75 14.029 -6.327 -4.425 1.00 31.42 H new ATOM 0 HG2 ARG A 75 13.909 -8.123 -6.045 1.00 15.12 H new ATOM 0 HG3 ARG A 75 14.990 -9.126 -5.099 1.00 15.12 H new ATOM 0 HD2 ARG A 75 12.302 -8.123 -4.065 1.00 12.04 H new ATOM 0 HD3 ARG A 75 12.508 -9.671 -4.860 1.00 12.04 H new ATOM 0 HE ARG A 75 13.425 -8.926 -2.147 1.00 35.33 H new ATOM 0 HH11 ARG A 75 13.558 -11.370 -4.731 1.00 14.54 H new ATOM 0 HH12 ARG A 75 14.124 -12.619 -3.617 1.00 14.54 H new ATOM 0 HH21 ARG A 75 14.148 -10.528 -0.832 1.00 10.13 H new ATOM 0 HH22 ARG A 75 14.451 -12.153 -1.458 1.00 10.13 H new ATOM 1118 N ALA A 76 17.472 -8.386 -5.759 1.00 63.02 N ATOM 1119 CA ALA A 76 18.560 -9.372 -5.733 1.00 41.15 C ATOM 1120 C ALA A 76 19.906 -8.645 -5.663 1.00 43.12 C ATOM 1121 O ALA A 76 20.802 -9.068 -4.943 1.00 4.31 O ATOM 1122 CB ALA A 76 18.496 -10.280 -6.965 1.00 30.24 C ATOM 0 H ALA A 76 16.961 -8.343 -6.641 1.00 63.02 H new ATOM 0 HA ALA A 76 18.450 -10.002 -4.850 1.00 41.15 H new ATOM 0 HB1 ALA A 76 19.311 -11.003 -6.927 1.00 30.24 H new ATOM 0 HB2 ALA A 76 17.542 -10.808 -6.979 1.00 30.24 H new ATOM 0 HB3 ALA A 76 18.589 -9.676 -7.867 1.00 30.24 H new ATOM 1128 N LEU A 77 20.040 -7.537 -6.374 1.00 55.21 N ATOM 1129 CA LEU A 77 21.263 -6.747 -6.315 1.00 63.02 C ATOM 1130 C LEU A 77 21.427 -6.083 -4.968 1.00 25.53 C ATOM 1131 O LEU A 77 22.528 -5.986 -4.464 1.00 44.12 O ATOM 1132 CB LEU A 77 21.268 -5.654 -7.400 1.00 40.44 C ATOM 1133 CG LEU A 77 21.379 -6.101 -8.872 1.00 15.45 C ATOM 1134 CD1 LEU A 77 21.422 -4.881 -9.791 1.00 73.35 C ATOM 1135 CD2 LEU A 77 22.648 -6.941 -9.098 1.00 73.04 C ATOM 0 H LEU A 77 19.322 -7.164 -6.996 1.00 55.21 H new ATOM 0 HA LEU A 77 22.090 -7.437 -6.482 1.00 63.02 H new ATOM 0 HB2 LEU A 77 20.351 -5.074 -7.295 1.00 40.44 H new ATOM 0 HB3 LEU A 77 22.098 -4.979 -7.192 1.00 40.44 H new ATOM 0 HG LEU A 77 20.504 -6.709 -9.103 1.00 15.45 H new ATOM 0 HD11 LEU A 77 21.500 -5.209 -10.828 1.00 73.35 H new ATOM 0 HD12 LEU A 77 20.511 -4.297 -9.663 1.00 73.35 H new ATOM 0 HD13 LEU A 77 22.286 -4.266 -9.539 1.00 73.35 H new ATOM 0 HD21 LEU A 77 22.703 -7.244 -10.144 1.00 73.04 H new ATOM 0 HD22 LEU A 77 23.527 -6.348 -8.846 1.00 73.04 H new ATOM 0 HD23 LEU A 77 22.615 -7.828 -8.465 1.00 73.04 H new ATOM 1147 N ALA A 78 20.322 -5.652 -4.368 1.00 73.51 N ATOM 1148 CA ALA A 78 20.352 -4.989 -3.062 1.00 73.34 C ATOM 1149 C ALA A 78 20.949 -5.907 -1.986 1.00 32.34 C ATOM 1150 O ALA A 78 21.590 -5.428 -1.052 1.00 31.24 O ATOM 1151 CB ALA A 78 18.940 -4.536 -2.663 1.00 22.25 C ATOM 0 H ALA A 78 19.388 -5.749 -4.766 1.00 73.51 H new ATOM 0 HA ALA A 78 20.993 -4.111 -3.142 1.00 73.34 H new ATOM 0 HB1 ALA A 78 18.977 -4.045 -1.691 1.00 22.25 H new ATOM 0 HB2 ALA A 78 18.558 -3.838 -3.408 1.00 22.25 H new ATOM 0 HB3 ALA A 78 18.282 -5.403 -2.607 1.00 22.25 H new ATOM 1157 N ALA A 79 20.767 -7.217 -2.131 1.00 44.11 N ATOM 1158 CA ALA A 79 21.307 -8.172 -1.167 1.00 61.53 C ATOM 1159 C ALA A 79 22.847 -8.136 -1.155 1.00 21.22 C ATOM 1160 O ALA A 79 23.466 -8.346 -0.120 1.00 10.23 O ATOM 1161 CB ALA A 79 20.812 -9.576 -1.510 1.00 34.12 C ATOM 0 H ALA A 79 20.252 -7.640 -2.903 1.00 44.11 H new ATOM 0 HA ALA A 79 20.959 -7.897 -0.171 1.00 61.53 H new ATOM 0 HB1 ALA A 79 21.215 -10.289 -0.791 1.00 34.12 H new ATOM 0 HB2 ALA A 79 19.723 -9.597 -1.471 1.00 34.12 H new ATOM 0 HB3 ALA A 79 21.145 -9.844 -2.513 1.00 34.12 H new ATOM 1167 N LYS A 80 23.451 -7.839 -2.299 1.00 63.20 N ATOM 1168 CA LYS A 80 24.914 -7.729 -2.386 1.00 64.24 C ATOM 1169 C LYS A 80 25.378 -6.489 -1.640 1.00 53.42 C ATOM 1170 O LYS A 80 26.445 -6.478 -1.061 1.00 40.24 O ATOM 1171 CB LYS A 80 25.369 -7.626 -3.836 1.00 14.24 C ATOM 1172 CG LYS A 80 25.077 -8.837 -4.703 1.00 20.44 C ATOM 1173 CD LYS A 80 25.346 -8.507 -6.159 1.00 10.11 C ATOM 1174 CE LYS A 80 25.100 -9.694 -7.079 1.00 20.53 C ATOM 1175 NZ LYS A 80 26.322 -10.590 -7.231 1.00 74.35 N ATOM 0 H LYS A 80 22.961 -7.670 -3.177 1.00 63.20 H new ATOM 0 HA LYS A 80 25.347 -8.625 -1.941 1.00 64.24 H new ATOM 0 HB2 LYS A 80 24.892 -6.756 -4.287 1.00 14.24 H new ATOM 0 HB3 LYS A 80 26.443 -7.443 -3.849 1.00 14.24 H new ATOM 0 HG2 LYS A 80 25.698 -9.677 -4.391 1.00 20.44 H new ATOM 0 HG3 LYS A 80 24.039 -9.144 -4.576 1.00 20.44 H new ATOM 0 HD2 LYS A 80 24.709 -7.677 -6.464 1.00 10.11 H new ATOM 0 HD3 LYS A 80 26.378 -8.174 -6.268 1.00 10.11 H new ATOM 0 HE2 LYS A 80 24.270 -10.283 -6.689 1.00 20.53 H new ATOM 0 HE3 LYS A 80 24.799 -9.330 -8.061 1.00 20.53 H new ATOM 0 HZ1 LYS A 80 26.473 -10.804 -8.238 1.00 74.35 H new ATOM 0 HZ2 LYS A 80 27.159 -10.103 -6.851 1.00 74.35 H new ATOM 0 HZ3 LYS A 80 26.170 -11.476 -6.708 1.00 74.35 H new ATOM 1189 N SER A 81 24.568 -5.435 -1.673 1.00 0.14 N ATOM 1190 CA SER A 81 24.913 -4.177 -1.015 1.00 21.25 C ATOM 1191 C SER A 81 24.737 -4.247 0.501 1.00 2.12 C ATOM 1192 O SER A 81 25.299 -3.453 1.243 1.00 31.34 O ATOM 1193 CB SER A 81 24.017 -3.069 -1.559 1.00 13.45 C ATOM 1194 OG SER A 81 24.063 -3.061 -2.967 1.00 42.43 O ATOM 0 H SER A 81 23.666 -5.426 -2.149 1.00 0.14 H new ATOM 0 HA SER A 81 25.964 -3.975 -1.222 1.00 21.25 H new ATOM 0 HB2 SER A 81 22.992 -3.220 -1.221 1.00 13.45 H new ATOM 0 HB3 SER A 81 24.342 -2.104 -1.171 1.00 13.45 H new ATOM 0 HG SER A 81 23.484 -2.348 -3.309 1.00 42.43 H new ATOM 1200 N ALA A 82 23.949 -5.216 0.948 1.00 10.25 N ATOM 1201 CA ALA A 82 23.718 -5.423 2.371 1.00 61.45 C ATOM 1202 C ALA A 82 24.879 -6.227 2.984 1.00 30.41 C ATOM 1203 O ALA A 82 25.003 -6.329 4.208 1.00 24.42 O ATOM 1204 CB ALA A 82 22.392 -6.161 2.574 1.00 22.21 C ATOM 0 H ALA A 82 23.457 -5.873 0.343 1.00 10.25 H new ATOM 0 HA ALA A 82 23.666 -4.456 2.872 1.00 61.45 H new ATOM 0 HB1 ALA A 82 22.221 -6.315 3.639 1.00 22.21 H new ATOM 0 HB2 ALA A 82 21.578 -5.568 2.158 1.00 22.21 H new ATOM 0 HB3 ALA A 82 22.432 -7.126 2.070 1.00 22.21 H new ATOM 1210 N SER A 83 25.693 -6.831 2.130 1.00 30.01 N ATOM 1211 CA SER A 83 26.806 -7.646 2.588 1.00 53.51 C ATOM 1212 C SER A 83 28.012 -6.767 2.869 1.00 3.11 C ATOM 1213 O SER A 83 28.370 -5.915 2.065 1.00 51.25 O ATOM 1214 CB SER A 83 27.188 -8.659 1.518 1.00 41.04 C ATOM 1215 OG SER A 83 28.294 -9.436 1.941 1.00 4.14 O ATOM 0 H SER A 83 25.602 -6.771 1.116 1.00 30.01 H new ATOM 0 HA SER A 83 26.501 -8.164 3.497 1.00 53.51 H new ATOM 0 HB2 SER A 83 26.339 -9.309 1.305 1.00 41.04 H new ATOM 0 HB3 SER A 83 27.433 -8.142 0.590 1.00 41.04 H new ATOM 0 HG SER A 83 29.092 -9.172 1.437 1.00 4.14 H new ATOM 1221 N TRP A 84 28.661 -6.991 4.003 1.00 30.04 N ATOM 1222 CA TRP A 84 29.886 -6.273 4.337 1.00 51.32 C ATOM 1223 C TRP A 84 31.025 -6.701 3.405 1.00 63.12 C ATOM 1224 O TRP A 84 31.858 -5.890 3.002 1.00 71.32 O ATOM 1225 CB TRP A 84 30.287 -6.557 5.787 1.00 44.33 C ATOM 1226 CG TRP A 84 31.518 -5.799 6.219 1.00 34.43 C ATOM 1227 CD1 TRP A 84 31.562 -4.555 6.750 1.00 62.20 C ATOM 1228 CD2 TRP A 84 32.891 -6.241 6.148 1.00 74.14 C ATOM 1229 NE1 TRP A 84 32.844 -4.179 7.025 1.00 33.22 N ATOM 1230 CE2 TRP A 84 33.699 -5.182 6.662 1.00 51.22 C ATOM 1231 CE3 TRP A 84 33.535 -7.428 5.701 1.00 15.42 C ATOM 1232 CZ2 TRP A 84 35.103 -5.267 6.726 1.00 44.30 C ATOM 1233 CZ3 TRP A 84 34.948 -7.512 5.774 1.00 30.54 C ATOM 1234 CH2 TRP A 84 35.716 -6.426 6.281 1.00 25.21 C ATOM 0 H TRP A 84 28.361 -7.664 4.708 1.00 30.04 H new ATOM 0 HA TRP A 84 29.702 -5.206 4.214 1.00 51.32 H new ATOM 0 HB2 TRP A 84 29.458 -6.297 6.445 1.00 44.33 H new ATOM 0 HB3 TRP A 84 30.465 -7.626 5.906 1.00 44.33 H new ATOM 0 HD1 TRP A 84 30.694 -3.939 6.933 1.00 62.20 H new ATOM 0 HE1 TRP A 84 33.121 -3.288 7.437 1.00 33.22 H new ATOM 0 HE3 TRP A 84 32.956 -8.253 5.312 1.00 15.42 H new ATOM 0 HZ2 TRP A 84 35.689 -4.447 7.114 1.00 44.30 H new ATOM 0 HZ3 TRP A 84 35.447 -8.410 5.441 1.00 30.54 H new ATOM 0 HH2 TRP A 84 36.792 -6.507 6.319 1.00 25.21 H new ATOM 1245 N SER A 85 31.052 -7.981 3.042 1.00 11.04 N ATOM 1246 CA SER A 85 32.065 -8.476 2.118 1.00 64.31 C ATOM 1247 C SER A 85 31.563 -8.266 0.702 1.00 4.02 C ATOM 1248 O SER A 85 30.390 -8.525 0.410 1.00 4.52 O ATOM 1249 CB SER A 85 32.347 -9.964 2.345 1.00 11.14 C ATOM 1250 OG SER A 85 33.351 -10.441 1.443 1.00 1.00 O ATOM 0 H SER A 85 30.392 -8.686 3.370 1.00 11.04 H new ATOM 0 HA SER A 85 32.994 -7.931 2.285 1.00 64.31 H new ATOM 0 HB2 SER A 85 32.672 -10.123 3.373 1.00 11.14 H new ATOM 0 HB3 SER A 85 31.429 -10.536 2.209 1.00 11.14 H new ATOM 0 HG SER A 85 33.514 -11.393 1.609 1.00 1.00 H new ATOM 1256 N HIS A 86 32.447 -7.828 -0.178 1.00 45.33 N ATOM 1257 CA HIS A 86 32.083 -7.636 -1.579 1.00 60.33 C ATOM 1258 C HIS A 86 31.687 -8.990 -2.204 1.00 0.44 C ATOM 1259 O HIS A 86 32.189 -10.042 -1.793 1.00 62.40 O ATOM 1260 CB HIS A 86 33.254 -7.011 -2.360 1.00 22.13 C ATOM 1261 CG HIS A 86 34.421 -7.939 -2.563 1.00 51.12 C ATOM 1262 ND1 HIS A 86 35.462 -8.076 -1.676 1.00 63.31 N ATOM 1263 CD2 HIS A 86 34.713 -8.777 -3.590 1.00 5.03 C ATOM 1264 CE1 HIS A 86 36.307 -8.964 -2.164 1.00 62.34 C ATOM 1265 NE2 HIS A 86 35.909 -9.424 -3.335 1.00 71.20 N ATOM 0 H HIS A 86 33.415 -7.599 0.046 1.00 45.33 H new ATOM 0 HA HIS A 86 31.233 -6.955 -1.632 1.00 60.33 H new ATOM 0 HB2 HIS A 86 32.892 -6.681 -3.334 1.00 22.13 H new ATOM 0 HB3 HIS A 86 33.598 -6.123 -1.830 1.00 22.13 H new ATOM 0 HD2 HIS A 86 34.105 -8.917 -4.471 1.00 5.03 H new ATOM 0 HE1 HIS A 86 37.213 -9.276 -1.666 1.00 62.34 H new ATOM 0 HE2 HIS A 86 36.381 -10.109 -3.925 1.00 71.20 H new ATOM 1273 N PRO A 87 30.776 -8.989 -3.193 1.00 21.54 N ATOM 1274 CA PRO A 87 30.387 -10.280 -3.774 1.00 51.54 C ATOM 1275 C PRO A 87 31.494 -10.896 -4.657 1.00 24.43 C ATOM 1276 O PRO A 87 32.321 -10.182 -5.212 1.00 54.02 O ATOM 1277 CB PRO A 87 29.167 -9.913 -4.606 1.00 50.14 C ATOM 1278 CG PRO A 87 29.424 -8.520 -5.027 1.00 42.33 C ATOM 1279 CD PRO A 87 30.038 -7.878 -3.809 1.00 0.42 C ATOM 0 HA PRO A 87 30.198 -11.038 -3.014 1.00 51.54 H new ATOM 0 HB2 PRO A 87 29.056 -10.575 -5.465 1.00 50.14 H new ATOM 0 HB3 PRO A 87 28.249 -9.991 -4.023 1.00 50.14 H new ATOM 0 HG2 PRO A 87 30.098 -8.480 -5.882 1.00 42.33 H new ATOM 0 HG3 PRO A 87 28.504 -8.016 -5.323 1.00 42.33 H new ATOM 0 HD2 PRO A 87 30.698 -7.053 -4.076 1.00 0.42 H new ATOM 0 HD3 PRO A 87 29.279 -7.475 -3.138 1.00 0.42 H new ATOM 1287 N GLN A 88 31.480 -12.218 -4.791 1.00 42.20 N ATOM 1288 CA GLN A 88 32.445 -12.943 -5.603 1.00 24.30 C ATOM 1289 C GLN A 88 31.777 -14.107 -6.289 1.00 74.44 C ATOM 1290 O GLN A 88 30.651 -14.455 -5.983 1.00 63.35 O ATOM 1291 CB GLN A 88 33.592 -13.485 -4.707 1.00 45.24 C ATOM 1292 CG GLN A 88 34.877 -12.710 -4.806 1.00 33.53 C ATOM 1293 CD GLN A 88 35.507 -12.741 -6.188 1.00 51.35 C ATOM 1294 OE1 GLN A 88 35.218 -13.612 -6.995 1.00 30.25 O ATOM 1295 NE2 GLN A 88 36.358 -11.772 -6.485 1.00 31.14 N ATOM 0 H GLN A 88 30.793 -12.819 -4.335 1.00 42.20 H new ATOM 0 HA GLN A 88 32.849 -12.259 -6.349 1.00 24.30 H new ATOM 0 HB2 GLN A 88 33.259 -13.481 -3.669 1.00 45.24 H new ATOM 0 HB3 GLN A 88 33.787 -14.523 -4.975 1.00 45.24 H new ATOM 0 HG2 GLN A 88 34.688 -11.674 -4.526 1.00 33.53 H new ATOM 0 HG3 GLN A 88 35.588 -13.110 -4.084 1.00 33.53 H new ATOM 0 HE21 GLN A 88 36.580 -11.058 -5.791 1.00 31.14 H new ATOM 0 HE22 GLN A 88 36.791 -11.739 -7.408 1.00 31.14 H new ATOM 1304 N PHE A 89 32.537 -14.740 -7.157 1.00 44.10 N ATOM 1305 CA PHE A 89 32.138 -15.975 -7.815 1.00 33.12 C ATOM 1306 C PHE A 89 32.477 -17.164 -6.956 1.00 5.21 C ATOM 1307 O PHE A 89 31.844 -18.216 -7.055 1.00 41.33 O ATOM 1308 CB PHE A 89 32.839 -16.081 -9.196 1.00 30.21 C ATOM 1309 CG PHE A 89 32.503 -14.947 -10.104 1.00 11.31 C ATOM 1310 CD1 PHE A 89 31.293 -14.906 -10.815 1.00 21.41 C ATOM 1311 CD2 PHE A 89 33.449 -13.912 -10.299 1.00 74.24 C ATOM 1312 CE1 PHE A 89 30.998 -13.822 -11.701 1.00 3.43 C ATOM 1313 CE2 PHE A 89 33.174 -12.840 -11.191 1.00 13.20 C ATOM 1314 CZ PHE A 89 31.941 -12.788 -11.875 1.00 61.52 C ATOM 0 H PHE A 89 33.462 -14.410 -7.432 1.00 44.10 H new ATOM 0 HA PHE A 89 31.059 -15.964 -7.966 1.00 33.12 H new ATOM 0 HB2 PHE A 89 33.918 -16.115 -9.049 1.00 30.21 H new ATOM 0 HB3 PHE A 89 32.553 -17.019 -9.672 1.00 30.21 H new ATOM 0 HD1 PHE A 89 30.575 -15.703 -10.691 1.00 21.41 H new ATOM 0 HD2 PHE A 89 34.388 -13.937 -9.765 1.00 74.24 H new ATOM 0 HE1 PHE A 89 30.059 -13.796 -12.233 1.00 3.43 H new ATOM 0 HE2 PHE A 89 33.910 -12.064 -11.345 1.00 13.20 H new ATOM 0 HZ PHE A 89 31.720 -11.958 -12.530 1.00 61.52 H new ATOM 1324 N GLU A 90 33.542 -17.015 -6.192 1.00 44.11 N ATOM 1325 CA GLU A 90 34.045 -18.056 -5.306 1.00 52.12 C ATOM 1326 C GLU A 90 33.114 -18.207 -4.103 1.00 42.03 C ATOM 1327 O GLU A 90 32.431 -17.252 -3.723 1.00 35.33 O ATOM 1328 CB GLU A 90 35.464 -17.687 -4.860 1.00 72.34 C ATOM 1329 CG GLU A 90 36.268 -18.844 -4.285 1.00 1.22 C ATOM 1330 CD GLU A 90 37.712 -18.461 -3.983 1.00 44.54 C ATOM 1331 OE1 GLU A 90 38.341 -17.801 -4.837 1.00 44.31 O ATOM 1332 OE2 GLU A 90 38.224 -18.826 -2.902 1.00 23.32 O ATOM 0 H GLU A 90 34.092 -16.157 -6.166 1.00 44.11 H new ATOM 0 HA GLU A 90 34.077 -19.011 -5.830 1.00 52.12 H new ATOM 0 HB2 GLU A 90 36.003 -17.275 -5.713 1.00 72.34 H new ATOM 0 HB3 GLU A 90 35.402 -16.897 -4.111 1.00 72.34 H new ATOM 0 HG2 GLU A 90 35.790 -19.195 -3.370 1.00 1.22 H new ATOM 0 HG3 GLU A 90 36.256 -19.675 -4.990 1.00 1.22 H new ATOM 1339 N LYS A 91 33.050 -19.412 -3.545 1.00 52.50 N ATOM 1340 CA LYS A 91 32.174 -19.721 -2.427 1.00 51.11 C ATOM 1341 C LYS A 91 32.689 -20.998 -1.783 1.00 2.44 C ATOM 1342 O LYS A 91 33.549 -21.623 -2.431 1.00 3.34 O ATOM 1343 CB LYS A 91 30.743 -19.949 -2.922 1.00 73.02 C ATOM 1344 CG LYS A 91 30.629 -21.095 -3.926 1.00 74.10 C ATOM 1345 CD LYS A 91 29.204 -21.635 -4.011 1.00 10.32 C ATOM 1346 CE LYS A 91 29.227 -23.079 -4.517 1.00 34.54 C ATOM 1347 NZ LYS A 91 29.923 -23.975 -3.507 1.00 33.12 N ATOM 0 H LYS A 91 33.609 -20.205 -3.860 1.00 52.50 H new ATOM 0 HA LYS A 91 32.167 -18.895 -1.716 1.00 51.11 H new ATOM 0 HB2 LYS A 91 30.099 -20.157 -2.068 1.00 73.02 H new ATOM 0 HB3 LYS A 91 30.375 -19.033 -3.383 1.00 73.02 H new ATOM 0 HG2 LYS A 91 30.946 -20.749 -4.910 1.00 74.10 H new ATOM 0 HG3 LYS A 91 31.306 -21.899 -3.638 1.00 74.10 H new ATOM 0 HD2 LYS A 91 28.729 -21.591 -3.031 1.00 10.32 H new ATOM 0 HD3 LYS A 91 28.609 -21.014 -4.681 1.00 10.32 H new ATOM 0 HE2 LYS A 91 28.209 -23.430 -4.685 1.00 34.54 H new ATOM 0 HE3 LYS A 91 29.744 -23.128 -5.476 1.00 34.54 H new ATOM 0 HZ1 LYS A 91 29.560 -24.945 -3.596 1.00 33.12 H new ATOM 0 HZ2 LYS A 91 30.947 -23.971 -3.687 1.00 33.12 H new ATOM 0 HZ3 LYS A 91 29.739 -23.623 -2.546 1.00 33.12 H new TER 1361 LYS A 91