USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 458 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 Single : A 1 CYS N :NH3+ 157:sc= 0.0437 (180deg=0.00416) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0251 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -4.38! C(o=-4.4!,f=-4!) USER MOD Single : A 6 LYS NZ :NH3+ 147:sc= -0.814 (180deg=-2.08) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 59:sc= -0.315 USER MOD Single : A 20 SER OG : rot -61:sc= 0.0827 USER MOD Single : A 25 GLN : amide:sc= -17! C(o=-17!,f=-22!) USER MOD Single : A 26 ASN : amide:sc= -3.72! K(o=-3.7!,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 78:sc= 0.669 USER MOD Single : A 53 ASN : amide:sc= -5.28! K(o=-5.3!,f=-2.2) USER MOD Single : A 54 GLN : amide:sc= -0.0506 K(o=-0.051,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 48.642 -13.537 4.087 1.00 1.00 N ATOM 2 CA CYS A 1 49.878 -14.293 4.431 1.00 1.00 C ATOM 3 C CYS A 1 49.741 -15.732 3.950 1.00 1.00 C ATOM 4 O CYS A 1 49.590 -16.653 4.752 1.00 1.00 O ATOM 5 CB CYS A 1 50.082 -14.269 5.948 1.00 1.00 C ATOM 6 SG CYS A 1 50.592 -12.611 6.461 1.00 1.00 S ATOM 0 H1 CYS A 1 48.550 -12.716 4.719 1.00 1.00 H new ATOM 0 H2 CYS A 1 48.698 -13.210 3.101 1.00 1.00 H new ATOM 0 H3 CYS A 1 47.814 -14.156 4.200 1.00 1.00 H new ATOM 0 HA CYS A 1 50.738 -13.832 3.945 1.00 1.00 H new ATOM 0 HB2 CYS A 1 49.159 -14.550 6.454 1.00 1.00 H new ATOM 0 HB3 CYS A 1 50.838 -14.999 6.236 1.00 1.00 H new ATOM 0 HG CYS A 1 50.763 -12.589 7.749 1.00 1.00 H new ATOM 14 N SER A 2 49.794 -15.923 2.635 1.00 1.00 N ATOM 15 CA SER A 2 49.673 -17.260 2.068 1.00 1.00 C ATOM 16 C SER A 2 50.953 -18.055 2.303 1.00 1.00 C ATOM 17 O SER A 2 51.866 -18.043 1.477 1.00 1.00 O ATOM 18 CB SER A 2 49.390 -17.170 0.567 1.00 1.00 C ATOM 19 OG SER A 2 48.052 -16.734 0.369 1.00 1.00 O ATOM 0 H SER A 2 49.918 -15.178 1.950 1.00 1.00 H new ATOM 0 HA SER A 2 48.845 -17.771 2.560 1.00 1.00 H new ATOM 0 HB2 SER A 2 50.085 -16.476 0.095 1.00 1.00 H new ATOM 0 HB3 SER A 2 49.542 -18.142 0.097 1.00 1.00 H new ATOM 0 HG SER A 2 47.867 -16.673 -0.591 1.00 1.00 H new ATOM 25 N LYS A 3 51.008 -18.744 3.439 1.00 1.00 N ATOM 26 CA LYS A 3 52.184 -19.548 3.786 1.00 1.00 C ATOM 27 C LYS A 3 53.467 -18.796 3.444 1.00 1.00 C ATOM 28 O LYS A 3 54.495 -19.403 3.147 1.00 1.00 O ATOM 29 CB LYS A 3 52.147 -20.889 3.030 1.00 1.00 C ATOM 30 CG LYS A 3 53.013 -21.931 3.748 1.00 1.00 C ATOM 31 CD LYS A 3 52.850 -23.287 3.058 1.00 1.00 C ATOM 32 CE LYS A 3 53.723 -24.328 3.761 1.00 1.00 C ATOM 33 NZ LYS A 3 53.554 -25.650 3.093 1.00 1.00 N ATOM 0 H LYS A 3 50.260 -18.765 4.133 1.00 1.00 H new ATOM 0 HA LYS A 3 52.167 -19.740 4.859 1.00 1.00 H new ATOM 0 HB2 LYS A 3 51.120 -21.246 2.960 1.00 1.00 H new ATOM 0 HB3 LYS A 3 52.506 -20.749 2.010 1.00 1.00 H new ATOM 0 HG2 LYS A 3 54.059 -21.625 3.731 1.00 1.00 H new ATOM 0 HG3 LYS A 3 52.719 -22.005 4.795 1.00 1.00 H new ATOM 0 HD2 LYS A 3 51.805 -23.596 3.084 1.00 1.00 H new ATOM 0 HD3 LYS A 3 53.133 -23.209 2.008 1.00 1.00 H new ATOM 0 HE2 LYS A 3 54.769 -24.023 3.728 1.00 1.00 H new ATOM 0 HE3 LYS A 3 53.445 -24.401 4.812 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 54.147 -26.358 3.570 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 52.557 -25.941 3.146 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 53.840 -25.574 2.096 1.00 1.00 H new ATOM 47 N ASN A 4 53.397 -17.469 3.494 1.00 1.00 N ATOM 48 CA ASN A 4 54.565 -16.634 3.188 1.00 1.00 C ATOM 49 C ASN A 4 55.343 -17.214 2.011 1.00 1.00 C ATOM 50 O ASN A 4 56.515 -17.567 2.141 1.00 1.00 O ATOM 51 CB ASN A 4 55.480 -16.539 4.412 1.00 1.00 C ATOM 52 CG ASN A 4 55.752 -17.932 4.969 1.00 1.00 C ATOM 53 OD1 ASN A 4 56.481 -18.714 4.358 1.00 1.00 O ATOM 54 ND2 ASN A 4 55.204 -18.292 6.096 1.00 1.00 N ATOM 0 H ASN A 4 52.555 -16.948 3.740 1.00 1.00 H new ATOM 0 HA ASN A 4 54.214 -15.637 2.922 1.00 1.00 H new ATOM 0 HB2 ASN A 4 56.419 -16.058 4.138 1.00 1.00 H new ATOM 0 HB3 ASN A 4 55.015 -15.917 5.177 1.00 1.00 H new ATOM 0 HD21 ASN A 4 55.379 -19.223 6.474 1.00 1.00 H new ATOM 0 HD22 ASN A 4 54.601 -17.642 6.600 1.00 1.00 H new ATOM 61 N ARG A 5 54.674 -17.326 0.870 1.00 1.00 N ATOM 62 CA ARG A 5 55.304 -17.884 -0.320 1.00 1.00 C ATOM 63 C ARG A 5 56.543 -17.079 -0.701 1.00 1.00 C ATOM 64 O ARG A 5 57.586 -17.657 -1.010 1.00 1.00 O ATOM 65 CB ARG A 5 54.301 -17.882 -1.481 1.00 1.00 C ATOM 66 CG ARG A 5 54.920 -18.513 -2.743 1.00 1.00 C ATOM 67 CD ARG A 5 55.199 -20.009 -2.520 1.00 1.00 C ATOM 68 NE ARG A 5 56.506 -20.194 -1.890 1.00 1.00 N ATOM 69 CZ ARG A 5 57.619 -20.282 -2.612 1.00 1.00 C ATOM 70 NH1 ARG A 5 57.566 -20.190 -3.912 1.00 1.00 N ATOM 71 NH2 ARG A 5 58.768 -20.460 -2.016 1.00 1.00 N ATOM 0 H ARG A 5 53.703 -17.040 0.744 1.00 1.00 H new ATOM 0 HA ARG A 5 55.612 -18.908 -0.107 1.00 1.00 H new ATOM 0 HB2 ARG A 5 53.406 -18.435 -1.195 1.00 1.00 H new ATOM 0 HB3 ARG A 5 53.989 -16.860 -1.696 1.00 1.00 H new ATOM 0 HG2 ARG A 5 54.244 -18.386 -3.589 1.00 1.00 H new ATOM 0 HG3 ARG A 5 55.847 -17.999 -2.996 1.00 1.00 H new ATOM 0 HD2 ARG A 5 54.420 -20.441 -1.891 1.00 1.00 H new ATOM 0 HD3 ARG A 5 55.169 -20.537 -3.473 1.00 1.00 H new ATOM 0 HE ARG A 5 56.565 -20.257 -0.874 1.00 1.00 H new ATOM 0 HH11 ARG A 5 56.669 -20.050 -4.377 1.00 1.00 H new ATOM 0 HH12 ARG A 5 58.421 -20.258 -4.463 1.00 1.00 H new ATOM 0 HH21 ARG A 5 58.810 -20.531 -0.999 1.00 1.00 H new ATOM 0 HH22 ARG A 5 59.623 -20.528 -2.567 1.00 1.00 H new ATOM 85 N LYS A 6 56.425 -15.748 -0.666 1.00 1.00 N ATOM 86 CA LYS A 6 57.552 -14.860 -1.010 1.00 1.00 C ATOM 87 C LYS A 6 58.443 -15.493 -2.073 1.00 1.00 C ATOM 88 O LYS A 6 59.390 -16.213 -1.756 1.00 1.00 O ATOM 89 CB LYS A 6 58.386 -14.573 0.237 1.00 1.00 C ATOM 90 CG LYS A 6 57.541 -13.791 1.245 1.00 1.00 C ATOM 91 CD LYS A 6 58.363 -13.513 2.504 1.00 1.00 C ATOM 92 CE LYS A 6 57.529 -12.679 3.479 1.00 1.00 C ATOM 93 NZ LYS A 6 56.171 -13.280 3.605 1.00 1.00 N ATOM 0 H LYS A 6 55.568 -15.259 -0.405 1.00 1.00 H new ATOM 0 HA LYS A 6 57.141 -13.931 -1.405 1.00 1.00 H new ATOM 0 HB2 LYS A 6 58.729 -15.507 0.681 1.00 1.00 H new ATOM 0 HB3 LYS A 6 59.275 -14.001 -0.030 1.00 1.00 H new ATOM 0 HG2 LYS A 6 57.207 -12.852 0.803 1.00 1.00 H new ATOM 0 HG3 LYS A 6 56.646 -14.359 1.501 1.00 1.00 H new ATOM 0 HD2 LYS A 6 58.661 -14.451 2.972 1.00 1.00 H new ATOM 0 HD3 LYS A 6 59.279 -12.982 2.244 1.00 1.00 H new ATOM 0 HE2 LYS A 6 58.016 -12.644 4.454 1.00 1.00 H new ATOM 0 HE3 LYS A 6 57.453 -11.651 3.124 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 55.814 -13.131 4.570 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 55.527 -12.829 2.924 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 56.223 -14.300 3.408 1.00 1.00 H new ATOM 107 N ALA A 7 58.126 -15.234 -3.332 1.00 1.00 N ATOM 108 CA ALA A 7 58.898 -15.801 -4.428 1.00 1.00 C ATOM 109 C ALA A 7 58.599 -15.076 -5.737 1.00 1.00 C ATOM 110 O ALA A 7 58.675 -13.849 -5.809 1.00 1.00 O ATOM 111 CB ALA A 7 58.567 -17.289 -4.572 1.00 1.00 C ATOM 0 H ALA A 7 57.347 -14.641 -3.619 1.00 1.00 H new ATOM 0 HA ALA A 7 59.958 -15.680 -4.204 1.00 1.00 H new ATOM 0 HB1 ALA A 7 59.146 -17.713 -5.393 1.00 1.00 H new ATOM 0 HB2 ALA A 7 58.816 -17.808 -3.647 1.00 1.00 H new ATOM 0 HB3 ALA A 7 57.503 -17.407 -4.779 1.00 1.00 H new ATOM 117 N LYS A 8 58.262 -15.840 -6.773 1.00 1.00 N ATOM 118 CA LYS A 8 57.962 -15.250 -8.074 1.00 1.00 C ATOM 119 C LYS A 8 57.116 -16.195 -8.920 1.00 1.00 C ATOM 120 O LYS A 8 57.515 -17.325 -9.203 1.00 1.00 O ATOM 121 CB LYS A 8 59.267 -14.917 -8.802 1.00 1.00 C ATOM 122 CG LYS A 8 58.971 -14.134 -10.083 1.00 1.00 C ATOM 123 CD LYS A 8 60.278 -13.567 -10.651 1.00 1.00 C ATOM 124 CE LYS A 8 61.195 -14.708 -11.108 1.00 1.00 C ATOM 125 NZ LYS A 8 62.274 -14.161 -11.982 1.00 1.00 N ATOM 0 H LYS A 8 58.190 -16.857 -6.738 1.00 1.00 H new ATOM 0 HA LYS A 8 57.391 -14.335 -7.916 1.00 1.00 H new ATOM 0 HB2 LYS A 8 59.916 -14.332 -8.151 1.00 1.00 H new ATOM 0 HB3 LYS A 8 59.802 -15.835 -9.044 1.00 1.00 H new ATOM 0 HG2 LYS A 8 58.495 -14.784 -10.817 1.00 1.00 H new ATOM 0 HG3 LYS A 8 58.272 -13.324 -9.873 1.00 1.00 H new ATOM 0 HD2 LYS A 8 60.062 -12.906 -11.490 1.00 1.00 H new ATOM 0 HD3 LYS A 8 60.782 -12.967 -9.894 1.00 1.00 H new ATOM 0 HE2 LYS A 8 61.631 -15.207 -10.243 1.00 1.00 H new ATOM 0 HE3 LYS A 8 60.618 -15.457 -11.650 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 62.896 -14.935 -12.292 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 61.849 -13.704 -12.814 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 62.831 -13.462 -11.450 1.00 1.00 H new ATOM 139 N ALA A 9 55.953 -15.711 -9.326 1.00 1.00 N ATOM 140 CA ALA A 9 55.044 -16.496 -10.155 1.00 1.00 C ATOM 141 C ALA A 9 54.072 -15.584 -10.895 1.00 1.00 C ATOM 142 O ALA A 9 53.287 -14.862 -10.280 1.00 1.00 O ATOM 143 CB ALA A 9 54.259 -17.498 -9.297 1.00 1.00 C ATOM 0 H ALA A 9 55.613 -14.777 -9.096 1.00 1.00 H new ATOM 0 HA ALA A 9 55.641 -17.045 -10.883 1.00 1.00 H new ATOM 0 HB1 ALA A 9 53.587 -18.074 -9.933 1.00 1.00 H new ATOM 0 HB2 ALA A 9 54.954 -18.174 -8.799 1.00 1.00 H new ATOM 0 HB3 ALA A 9 53.678 -16.959 -8.549 1.00 1.00 H new ATOM 149 N LYS A 10 54.126 -15.643 -12.220 1.00 1.00 N ATOM 150 CA LYS A 10 53.245 -14.840 -13.064 1.00 1.00 C ATOM 151 C LYS A 10 53.100 -15.456 -14.466 1.00 1.00 C ATOM 152 O LYS A 10 52.011 -15.404 -15.039 1.00 1.00 O ATOM 153 CB LYS A 10 53.740 -13.382 -13.174 1.00 1.00 C ATOM 154 CG LYS A 10 53.506 -12.635 -11.851 1.00 1.00 C ATOM 155 CD LYS A 10 53.587 -11.125 -12.090 1.00 1.00 C ATOM 156 CE LYS A 10 53.408 -10.388 -10.759 1.00 1.00 C ATOM 157 NZ LYS A 10 53.676 -8.935 -10.952 1.00 1.00 N ATOM 0 H LYS A 10 54.772 -16.240 -12.736 1.00 1.00 H new ATOM 0 HA LYS A 10 52.265 -14.833 -12.586 1.00 1.00 H new ATOM 0 HB2 LYS A 10 54.801 -13.369 -13.423 1.00 1.00 H new ATOM 0 HB3 LYS A 10 53.216 -12.874 -13.984 1.00 1.00 H new ATOM 0 HG2 LYS A 10 52.530 -12.896 -11.442 1.00 1.00 H new ATOM 0 HG3 LYS A 10 54.251 -12.937 -11.115 1.00 1.00 H new ATOM 0 HD2 LYS A 10 54.548 -10.867 -12.534 1.00 1.00 H new ATOM 0 HD3 LYS A 10 52.816 -10.816 -12.796 1.00 1.00 H new ATOM 0 HE2 LYS A 10 52.395 -10.535 -10.384 1.00 1.00 H new ATOM 0 HE3 LYS A 10 54.087 -10.797 -10.011 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 53.554 -8.436 -10.048 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 54.650 -8.804 -11.291 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 53.011 -8.549 -11.652 1.00 1.00 H new ATOM 171 N PRO A 11 54.138 -16.042 -15.042 1.00 1.00 N ATOM 172 CA PRO A 11 54.030 -16.662 -16.401 1.00 1.00 C ATOM 173 C PRO A 11 52.961 -17.745 -16.457 1.00 1.00 C ATOM 174 O PRO A 11 52.798 -18.536 -15.526 1.00 1.00 O ATOM 175 CB PRO A 11 55.435 -17.233 -16.670 1.00 1.00 C ATOM 176 CG PRO A 11 56.340 -16.480 -15.748 1.00 1.00 C ATOM 177 CD PRO A 11 55.506 -16.182 -14.505 1.00 1.00 C ATOM 0 HA PRO A 11 53.724 -15.938 -17.156 1.00 1.00 H new ATOM 0 HB2 PRO A 11 55.471 -18.304 -16.471 1.00 1.00 H new ATOM 0 HB3 PRO A 11 55.726 -17.092 -17.711 1.00 1.00 H new ATOM 0 HG2 PRO A 11 57.221 -17.070 -15.496 1.00 1.00 H new ATOM 0 HG3 PRO A 11 56.694 -15.560 -16.212 1.00 1.00 H new ATOM 0 HD2 PRO A 11 55.571 -16.988 -13.774 1.00 1.00 H new ATOM 0 HD3 PRO A 11 55.838 -15.271 -14.006 1.00 1.00 H new ATOM 185 N VAL A 12 52.244 -17.765 -17.570 1.00 1.00 N ATOM 186 CA VAL A 12 51.191 -18.743 -17.779 1.00 1.00 C ATOM 187 C VAL A 12 51.790 -20.139 -17.784 1.00 1.00 C ATOM 188 O VAL A 12 51.242 -21.081 -17.212 1.00 1.00 O ATOM 189 CB VAL A 12 50.475 -18.458 -19.111 1.00 1.00 C ATOM 190 CG1 VAL A 12 49.388 -17.393 -18.912 1.00 1.00 C ATOM 191 CG2 VAL A 12 51.483 -17.940 -20.140 1.00 1.00 C ATOM 0 H VAL A 12 52.374 -17.113 -18.343 1.00 1.00 H new ATOM 0 HA VAL A 12 50.462 -18.676 -16.971 1.00 1.00 H new ATOM 0 HB VAL A 12 50.021 -19.384 -19.464 1.00 1.00 H new ATOM 0 HG11 VAL A 12 48.889 -17.200 -19.862 1.00 1.00 H new ATOM 0 HG12 VAL A 12 48.659 -17.749 -18.185 1.00 1.00 H new ATOM 0 HG13 VAL A 12 49.843 -16.472 -18.548 1.00 1.00 H new ATOM 0 HG21 VAL A 12 50.972 -17.740 -21.081 1.00 1.00 H new ATOM 0 HG22 VAL A 12 51.939 -17.021 -19.772 1.00 1.00 H new ATOM 0 HG23 VAL A 12 52.257 -18.690 -20.300 1.00 1.00 H new ATOM 201 N THR A 13 52.924 -20.233 -18.432 1.00 1.00 N ATOM 202 CA THR A 13 53.657 -21.483 -18.539 1.00 1.00 C ATOM 203 C THR A 13 54.182 -21.910 -17.175 1.00 1.00 C ATOM 204 O THR A 13 54.120 -23.084 -16.812 1.00 1.00 O ATOM 205 CB THR A 13 54.830 -21.305 -19.511 1.00 1.00 C ATOM 206 OG1 THR A 13 55.383 -22.574 -19.828 1.00 1.00 O ATOM 207 CG2 THR A 13 55.908 -20.417 -18.878 1.00 1.00 C ATOM 0 H THR A 13 53.371 -19.447 -18.903 1.00 1.00 H new ATOM 0 HA THR A 13 52.985 -22.256 -18.912 1.00 1.00 H new ATOM 0 HB THR A 13 54.468 -20.829 -20.422 1.00 1.00 H new ATOM 0 HG1 THR A 13 56.131 -22.459 -20.450 1.00 1.00 H new ATOM 0 HG21 THR A 13 56.736 -20.297 -19.576 1.00 1.00 H new ATOM 0 HG22 THR A 13 55.484 -19.440 -18.646 1.00 1.00 H new ATOM 0 HG23 THR A 13 56.271 -20.882 -17.961 1.00 1.00 H new ATOM 215 N ARG A 14 54.721 -20.946 -16.435 1.00 1.00 N ATOM 216 CA ARG A 14 55.282 -21.249 -15.111 1.00 1.00 C ATOM 217 C ARG A 14 54.205 -21.764 -14.144 1.00 1.00 C ATOM 218 O ARG A 14 54.482 -22.643 -13.328 1.00 1.00 O ATOM 219 CB ARG A 14 56.028 -20.040 -14.507 1.00 1.00 C ATOM 220 CG ARG A 14 56.680 -20.445 -13.182 1.00 1.00 C ATOM 221 CD ARG A 14 57.500 -19.269 -12.641 1.00 1.00 C ATOM 222 NE ARG A 14 58.136 -19.626 -11.380 1.00 1.00 N ATOM 223 CZ ARG A 14 59.078 -18.855 -10.849 1.00 1.00 C ATOM 224 NH1 ARG A 14 59.462 -17.773 -11.470 1.00 1.00 N ATOM 225 NH2 ARG A 14 59.622 -19.181 -9.710 1.00 1.00 N ATOM 0 H ARG A 14 54.784 -19.967 -16.716 1.00 1.00 H new ATOM 0 HA ARG A 14 56.012 -22.045 -15.257 1.00 1.00 H new ATOM 0 HB2 ARG A 14 56.787 -19.684 -15.203 1.00 1.00 H new ATOM 0 HB3 ARG A 14 55.333 -19.216 -14.345 1.00 1.00 H new ATOM 0 HG2 ARG A 14 55.916 -20.733 -12.460 1.00 1.00 H new ATOM 0 HG3 ARG A 14 57.322 -21.313 -13.330 1.00 1.00 H new ATOM 0 HD2 ARG A 14 58.259 -18.982 -13.369 1.00 1.00 H new ATOM 0 HD3 ARG A 14 56.853 -18.403 -12.496 1.00 1.00 H new ATOM 0 HE ARG A 14 57.854 -20.480 -10.898 1.00 1.00 H new ATOM 0 HH11 ARG A 14 59.039 -17.520 -12.363 1.00 1.00 H new ATOM 0 HH12 ARG A 14 60.185 -17.181 -11.062 1.00 1.00 H new ATOM 0 HH21 ARG A 14 59.324 -20.028 -9.227 1.00 1.00 H new ATOM 0 HH22 ARG A 14 60.345 -18.589 -9.302 1.00 1.00 H new ATOM 239 N GLY A 15 52.981 -21.233 -14.231 1.00 1.00 N ATOM 240 CA GLY A 15 51.910 -21.682 -13.345 1.00 1.00 C ATOM 241 C GLY A 15 50.675 -20.797 -13.488 1.00 1.00 C ATOM 242 O GLY A 15 49.714 -21.162 -14.164 1.00 1.00 O ATOM 0 H GLY A 15 52.713 -20.505 -14.894 1.00 1.00 H new ATOM 0 HA2 GLY A 15 51.650 -22.715 -13.577 1.00 1.00 H new ATOM 0 HA3 GLY A 15 52.257 -21.665 -12.312 1.00 1.00 H new ATOM 246 N THR A 16 50.716 -19.628 -12.854 1.00 1.00 N ATOM 247 CA THR A 16 49.593 -18.689 -12.926 1.00 1.00 C ATOM 248 C THR A 16 48.283 -19.363 -12.529 1.00 1.00 C ATOM 249 O THR A 16 47.286 -19.241 -13.238 1.00 1.00 O ATOM 250 CB THR A 16 49.472 -18.162 -14.361 1.00 1.00 C ATOM 251 OG1 THR A 16 50.697 -17.548 -14.737 1.00 1.00 O ATOM 252 CG2 THR A 16 48.325 -17.137 -14.479 1.00 1.00 C ATOM 0 H THR A 16 51.503 -19.308 -12.290 1.00 1.00 H new ATOM 0 HA THR A 16 49.783 -17.870 -12.232 1.00 1.00 H new ATOM 0 HB THR A 16 49.252 -19.000 -15.023 1.00 1.00 H new ATOM 0 HG1 THR A 16 51.425 -18.200 -14.664 1.00 1.00 H new ATOM 0 HG21 THR A 16 48.261 -16.779 -15.507 1.00 1.00 H new ATOM 0 HG22 THR A 16 47.384 -17.611 -14.200 1.00 1.00 H new ATOM 0 HG23 THR A 16 48.519 -16.296 -13.813 1.00 1.00 H new ATOM 260 N GLY A 17 48.292 -20.058 -11.387 1.00 1.00 N ATOM 261 CA GLY A 17 47.100 -20.752 -10.872 1.00 1.00 C ATOM 262 C GLY A 17 46.115 -21.087 -11.990 1.00 1.00 C ATOM 263 O GLY A 17 46.468 -21.785 -12.939 1.00 1.00 O ATOM 0 H GLY A 17 49.117 -20.157 -10.795 1.00 1.00 H new ATOM 0 HA2 GLY A 17 47.403 -21.669 -10.367 1.00 1.00 H new ATOM 0 HA3 GLY A 17 46.607 -20.126 -10.128 1.00 1.00 H new ATOM 267 N ALA A 18 44.897 -20.549 -11.856 1.00 1.00 N ATOM 268 CA ALA A 18 43.805 -20.727 -12.834 1.00 1.00 C ATOM 269 C ALA A 18 42.457 -20.893 -12.107 1.00 1.00 C ATOM 270 O ALA A 18 42.406 -21.493 -11.034 1.00 1.00 O ATOM 271 CB ALA A 18 44.036 -21.956 -13.730 1.00 1.00 C ATOM 0 H ALA A 18 44.634 -19.970 -11.058 1.00 1.00 H new ATOM 0 HA ALA A 18 43.788 -19.835 -13.460 1.00 1.00 H new ATOM 0 HB1 ALA A 18 43.211 -22.052 -14.436 1.00 1.00 H new ATOM 0 HB2 ALA A 18 44.970 -21.836 -14.278 1.00 1.00 H new ATOM 0 HB3 ALA A 18 44.091 -22.852 -13.112 1.00 1.00 H new ATOM 277 N GLY A 19 41.362 -20.377 -12.692 1.00 1.00 N ATOM 278 CA GLY A 19 40.043 -20.513 -12.065 1.00 1.00 C ATOM 279 C GLY A 19 40.074 -20.070 -10.602 1.00 1.00 C ATOM 280 O GLY A 19 39.225 -20.473 -9.807 1.00 1.00 O ATOM 0 H GLY A 19 41.365 -19.873 -13.579 1.00 1.00 H new ATOM 0 HA2 GLY A 19 39.314 -19.915 -12.613 1.00 1.00 H new ATOM 0 HA3 GLY A 19 39.714 -21.550 -12.126 1.00 1.00 H new ATOM 284 N SER A 20 41.055 -19.239 -10.253 1.00 1.00 N ATOM 285 CA SER A 20 41.187 -18.743 -8.873 1.00 1.00 C ATOM 286 C SER A 20 40.604 -17.343 -8.750 1.00 1.00 C ATOM 287 O SER A 20 41.213 -16.445 -8.170 1.00 1.00 O ATOM 288 CB SER A 20 42.654 -18.713 -8.454 1.00 1.00 C ATOM 289 OG SER A 20 42.734 -18.603 -7.040 1.00 1.00 O ATOM 0 H SER A 20 41.767 -18.894 -10.896 1.00 1.00 H new ATOM 0 HA SER A 20 40.638 -19.421 -8.219 1.00 1.00 H new ATOM 0 HB2 SER A 20 43.159 -19.619 -8.789 1.00 1.00 H new ATOM 0 HB3 SER A 20 43.162 -17.872 -8.925 1.00 1.00 H new ATOM 0 HG SER A 20 42.304 -17.771 -6.752 1.00 1.00 H new ATOM 295 N ARG A 21 39.419 -17.175 -9.307 1.00 1.00 N ATOM 296 CA ARG A 21 38.727 -15.891 -9.275 1.00 1.00 C ATOM 297 C ARG A 21 38.217 -15.602 -7.867 1.00 1.00 C ATOM 298 O ARG A 21 38.025 -16.526 -7.075 1.00 1.00 O ATOM 299 CB ARG A 21 37.558 -15.908 -10.285 1.00 1.00 C ATOM 300 CG ARG A 21 37.041 -17.342 -10.449 1.00 1.00 C ATOM 301 CD ARG A 21 35.672 -17.324 -11.131 1.00 1.00 C ATOM 302 NE ARG A 21 35.192 -18.686 -11.337 1.00 1.00 N ATOM 303 CZ ARG A 21 34.722 -19.409 -10.326 1.00 1.00 C ATOM 304 NH1 ARG A 21 34.696 -18.906 -9.121 1.00 1.00 N ATOM 305 NH2 ARG A 21 34.286 -20.621 -10.536 1.00 1.00 N ATOM 0 H ARG A 21 38.909 -17.914 -9.791 1.00 1.00 H new ATOM 0 HA ARG A 21 39.423 -15.100 -9.554 1.00 1.00 H new ATOM 0 HB2 ARG A 21 36.755 -15.258 -9.938 1.00 1.00 H new ATOM 0 HB3 ARG A 21 37.890 -15.518 -11.247 1.00 1.00 H new ATOM 0 HG2 ARG A 21 37.745 -17.927 -11.041 1.00 1.00 H new ATOM 0 HG3 ARG A 21 36.966 -17.825 -9.475 1.00 1.00 H new ATOM 0 HD2 ARG A 21 34.961 -16.769 -10.520 1.00 1.00 H new ATOM 0 HD3 ARG A 21 35.741 -16.807 -12.088 1.00 1.00 H new ATOM 0 HE ARG A 21 35.218 -19.090 -12.273 1.00 1.00 H new ATOM 0 HH11 ARG A 21 35.036 -17.959 -8.956 1.00 1.00 H new ATOM 0 HH12 ARG A 21 34.335 -19.460 -8.345 1.00 1.00 H new ATOM 0 HH21 ARG A 21 34.306 -21.014 -11.477 1.00 1.00 H new ATOM 0 HH22 ARG A 21 33.925 -21.175 -9.759 1.00 1.00 H new ATOM 319 N PRO A 22 37.999 -14.352 -7.532 1.00 1.00 N ATOM 320 CA PRO A 22 37.509 -13.980 -6.186 1.00 1.00 C ATOM 321 C PRO A 22 36.464 -14.958 -5.672 1.00 1.00 C ATOM 322 O PRO A 22 35.392 -15.112 -6.255 1.00 1.00 O ATOM 323 CB PRO A 22 36.913 -12.588 -6.393 1.00 1.00 C ATOM 324 CG PRO A 22 37.715 -11.987 -7.505 1.00 1.00 C ATOM 325 CD PRO A 22 38.198 -13.158 -8.384 1.00 1.00 C ATOM 0 HA PRO A 22 38.300 -13.997 -5.436 1.00 1.00 H new ATOM 0 HB2 PRO A 22 35.856 -12.646 -6.654 1.00 1.00 H new ATOM 0 HB3 PRO A 22 36.985 -11.989 -5.485 1.00 1.00 H new ATOM 0 HG2 PRO A 22 37.110 -11.290 -8.086 1.00 1.00 H new ATOM 0 HG3 PRO A 22 38.561 -11.423 -7.112 1.00 1.00 H new ATOM 0 HD2 PRO A 22 37.624 -13.227 -9.308 1.00 1.00 H new ATOM 0 HD3 PRO A 22 39.244 -13.040 -8.667 1.00 1.00 H new ATOM 333 N ARG A 23 36.809 -15.616 -4.575 1.00 1.00 N ATOM 334 CA ARG A 23 35.924 -16.604 -3.944 1.00 1.00 C ATOM 335 C ARG A 23 34.460 -16.185 -4.086 1.00 1.00 C ATOM 336 O ARG A 23 34.046 -15.157 -3.550 1.00 1.00 O ATOM 337 CB ARG A 23 36.267 -16.745 -2.455 1.00 1.00 C ATOM 338 CG ARG A 23 37.681 -17.309 -2.305 1.00 1.00 C ATOM 339 CD ARG A 23 38.027 -17.428 -0.819 1.00 1.00 C ATOM 340 NE ARG A 23 39.378 -17.960 -0.651 1.00 1.00 N ATOM 341 CZ ARG A 23 39.602 -19.269 -0.562 1.00 1.00 C ATOM 342 NH1 ARG A 23 38.610 -20.112 -0.657 1.00 1.00 N ATOM 343 NH2 ARG A 23 40.816 -19.714 -0.385 1.00 1.00 N ATOM 0 H ARG A 23 37.700 -15.487 -4.095 1.00 1.00 H new ATOM 0 HA ARG A 23 36.071 -17.561 -4.445 1.00 1.00 H new ATOM 0 HB2 ARG A 23 36.197 -15.775 -1.962 1.00 1.00 H new ATOM 0 HB3 ARG A 23 35.548 -17.403 -1.967 1.00 1.00 H new ATOM 0 HG2 ARG A 23 37.747 -18.286 -2.784 1.00 1.00 H new ATOM 0 HG3 ARG A 23 38.399 -16.659 -2.806 1.00 1.00 H new ATOM 0 HD2 ARG A 23 37.952 -16.451 -0.342 1.00 1.00 H new ATOM 0 HD3 ARG A 23 37.308 -18.080 -0.323 1.00 1.00 H new ATOM 0 HE ARG A 23 40.166 -17.314 -0.601 1.00 1.00 H new ATOM 0 HH11 ARG A 23 37.660 -19.768 -0.800 1.00 1.00 H new ATOM 0 HH12 ARG A 23 38.784 -21.115 -0.588 1.00 1.00 H new ATOM 0 HH21 ARG A 23 41.594 -19.058 -0.315 1.00 1.00 H new ATOM 0 HH22 ARG A 23 40.987 -20.717 -0.317 1.00 1.00 H new ATOM 357 N GLY A 24 33.687 -16.981 -4.823 1.00 1.00 N ATOM 358 CA GLY A 24 32.271 -16.666 -5.041 1.00 1.00 C ATOM 359 C GLY A 24 31.409 -17.124 -3.869 1.00 1.00 C ATOM 360 O GLY A 24 31.090 -16.331 -2.983 1.00 1.00 O ATOM 0 H GLY A 24 34.008 -17.837 -5.275 1.00 1.00 H new ATOM 0 HA2 GLY A 24 32.154 -15.592 -5.182 1.00 1.00 H new ATOM 0 HA3 GLY A 24 31.927 -17.147 -5.957 1.00 1.00 H new ATOM 364 N GLN A 25 31.028 -18.404 -3.873 1.00 1.00 N ATOM 365 CA GLN A 25 30.186 -18.958 -2.799 1.00 1.00 C ATOM 366 C GLN A 25 29.136 -17.931 -2.369 1.00 1.00 C ATOM 367 O GLN A 25 29.190 -17.393 -1.265 1.00 1.00 O ATOM 368 CB GLN A 25 31.057 -19.355 -1.594 1.00 1.00 C ATOM 369 CG GLN A 25 32.423 -19.855 -2.081 1.00 1.00 C ATOM 370 CD GLN A 25 33.334 -18.681 -2.457 1.00 1.00 C ATOM 371 OE1 GLN A 25 34.220 -18.837 -3.296 1.00 1.00 O ATOM 372 NE2 GLN A 25 33.172 -17.510 -1.889 1.00 1.00 N ATOM 0 H GLN A 25 31.284 -19.074 -4.598 1.00 1.00 H new ATOM 0 HA GLN A 25 29.678 -19.846 -3.176 1.00 1.00 H new ATOM 0 HB2 GLN A 25 31.188 -18.500 -0.931 1.00 1.00 H new ATOM 0 HB3 GLN A 25 30.560 -20.134 -1.015 1.00 1.00 H new ATOM 0 HG2 GLN A 25 32.896 -20.452 -1.301 1.00 1.00 H new ATOM 0 HG3 GLN A 25 32.289 -20.507 -2.944 1.00 1.00 H new ATOM 0 HE21 GLN A 25 32.438 -17.378 -1.193 1.00 1.00 H new ATOM 0 HE22 GLN A 25 33.780 -16.731 -2.143 1.00 1.00 H new ATOM 381 N ASN A 26 28.193 -17.644 -3.261 1.00 1.00 N ATOM 382 CA ASN A 26 27.153 -16.645 -2.952 1.00 1.00 C ATOM 383 C ASN A 26 26.050 -17.214 -2.074 1.00 1.00 C ATOM 384 O ASN A 26 25.204 -16.475 -1.570 1.00 1.00 O ATOM 385 CB ASN A 26 26.534 -16.045 -4.227 1.00 1.00 C ATOM 386 CG ASN A 26 25.557 -14.937 -3.846 1.00 1.00 C ATOM 387 OD1 ASN A 26 24.670 -14.593 -4.628 1.00 1.00 O ATOM 388 ND2 ASN A 26 25.663 -14.356 -2.680 1.00 1.00 N ATOM 0 H ASN A 26 28.119 -18.072 -4.184 1.00 1.00 H new ATOM 0 HA ASN A 26 27.659 -15.852 -2.401 1.00 1.00 H new ATOM 0 HB2 ASN A 26 27.318 -15.647 -4.872 1.00 1.00 H new ATOM 0 HB3 ASN A 26 26.018 -16.820 -4.793 1.00 1.00 H new ATOM 0 HD21 ASN A 26 25.011 -13.617 -2.417 1.00 1.00 H new ATOM 0 HD22 ASN A 26 26.398 -14.642 -2.033 1.00 1.00 H new ATOM 395 N LYS A 27 26.061 -18.517 -1.895 1.00 1.00 N ATOM 396 CA LYS A 27 25.049 -19.186 -1.071 1.00 1.00 C ATOM 397 C LYS A 27 23.630 -18.930 -1.600 1.00 1.00 C ATOM 398 O LYS A 27 22.701 -19.662 -1.256 1.00 1.00 O ATOM 399 CB LYS A 27 25.159 -18.706 0.386 1.00 1.00 C ATOM 400 CG LYS A 27 24.507 -19.730 1.323 1.00 1.00 C ATOM 401 CD LYS A 27 24.738 -19.318 2.779 1.00 1.00 C ATOM 402 CE LYS A 27 24.103 -20.358 3.705 1.00 1.00 C ATOM 403 NZ LYS A 27 24.337 -19.976 5.126 1.00 1.00 N ATOM 0 H LYS A 27 26.754 -19.143 -2.304 1.00 1.00 H new ATOM 0 HA LYS A 27 25.235 -20.259 -1.118 1.00 1.00 H new ATOM 0 HB2 LYS A 27 26.206 -18.569 0.655 1.00 1.00 H new ATOM 0 HB3 LYS A 27 24.672 -17.737 0.497 1.00 1.00 H new ATOM 0 HG2 LYS A 27 23.438 -19.795 1.119 1.00 1.00 H new ATOM 0 HG3 LYS A 27 24.927 -20.720 1.144 1.00 1.00 H new ATOM 0 HD2 LYS A 27 25.806 -19.238 2.981 1.00 1.00 H new ATOM 0 HD3 LYS A 27 24.304 -18.336 2.964 1.00 1.00 H new ATOM 0 HE2 LYS A 27 23.033 -20.428 3.509 1.00 1.00 H new ATOM 0 HE3 LYS A 27 24.529 -21.342 3.508 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 23.904 -20.685 5.752 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 25.360 -19.931 5.309 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 23.911 -19.045 5.310 1.00 1.00 H new ATOM 417 N GLU A 28 23.458 -17.906 -2.444 1.00 1.00 N ATOM 418 CA GLU A 28 22.137 -17.609 -3.001 1.00 1.00 C ATOM 419 C GLU A 28 21.078 -17.588 -1.902 1.00 1.00 C ATOM 420 O GLU A 28 20.251 -18.495 -1.805 1.00 1.00 O ATOM 421 CB GLU A 28 21.776 -18.668 -4.041 1.00 1.00 C ATOM 422 CG GLU A 28 22.735 -18.553 -5.229 1.00 1.00 C ATOM 423 CD GLU A 28 22.460 -19.666 -6.235 1.00 1.00 C ATOM 424 OE1 GLU A 28 22.220 -20.782 -5.803 1.00 1.00 O ATOM 425 OE2 GLU A 28 22.496 -19.387 -7.422 1.00 1.00 O ATOM 0 H GLU A 28 24.203 -17.280 -2.751 1.00 1.00 H new ATOM 0 HA GLU A 28 22.168 -16.625 -3.469 1.00 1.00 H new ATOM 0 HB2 GLU A 28 21.840 -19.663 -3.601 1.00 1.00 H new ATOM 0 HB3 GLU A 28 20.747 -18.532 -4.374 1.00 1.00 H new ATOM 0 HG2 GLU A 28 22.617 -17.581 -5.709 1.00 1.00 H new ATOM 0 HG3 GLU A 28 23.766 -18.613 -4.881 1.00 1.00 H new ATOM 432 N ARG A 29 21.107 -16.543 -1.082 1.00 1.00 N ATOM 433 CA ARG A 29 20.144 -16.401 0.009 1.00 1.00 C ATOM 434 C ARG A 29 20.428 -15.128 0.822 1.00 1.00 C ATOM 435 O ARG A 29 19.515 -14.350 1.097 1.00 1.00 O ATOM 436 CB ARG A 29 20.174 -17.659 0.927 1.00 1.00 C ATOM 437 CG ARG A 29 18.803 -18.363 0.922 1.00 1.00 C ATOM 438 CD ARG A 29 18.789 -19.486 1.965 1.00 1.00 C ATOM 439 NE ARG A 29 17.681 -20.403 1.709 1.00 1.00 N ATOM 440 CZ ARG A 29 17.610 -21.584 2.318 1.00 1.00 C ATOM 441 NH1 ARG A 29 18.538 -21.940 3.162 1.00 1.00 N ATOM 442 NH2 ARG A 29 16.609 -22.388 2.072 1.00 1.00 N ATOM 0 H ARG A 29 21.784 -15.783 -1.150 1.00 1.00 H new ATOM 0 HA ARG A 29 19.146 -16.313 -0.421 1.00 1.00 H new ATOM 0 HB2 ARG A 29 20.945 -18.349 0.584 1.00 1.00 H new ATOM 0 HB3 ARG A 29 20.436 -17.368 1.944 1.00 1.00 H new ATOM 0 HG2 ARG A 29 18.014 -17.643 1.140 1.00 1.00 H new ATOM 0 HG3 ARG A 29 18.598 -18.771 -0.068 1.00 1.00 H new ATOM 0 HD2 ARG A 29 19.733 -20.029 1.937 1.00 1.00 H new ATOM 0 HD3 ARG A 29 18.695 -19.062 2.965 1.00 1.00 H new ATOM 0 HE ARG A 29 16.949 -20.133 1.052 1.00 1.00 H new ATOM 0 HH11 ARG A 29 19.319 -21.313 3.356 1.00 1.00 H new ATOM 0 HH12 ARG A 29 18.483 -22.845 3.629 1.00 1.00 H new ATOM 0 HH21 ARG A 29 15.882 -22.110 1.413 1.00 1.00 H new ATOM 0 HH22 ARG A 29 16.555 -23.293 2.539 1.00 1.00 H new ATOM 456 N PRO A 30 21.657 -14.908 1.221 1.00 1.00 N ATOM 457 CA PRO A 30 22.037 -13.714 2.025 1.00 1.00 C ATOM 458 C PRO A 30 22.376 -12.499 1.151 1.00 1.00 C ATOM 459 O PRO A 30 22.680 -12.646 -0.033 1.00 1.00 O ATOM 460 CB PRO A 30 23.269 -14.209 2.787 1.00 1.00 C ATOM 461 CG PRO A 30 23.938 -15.168 1.846 1.00 1.00 C ATOM 462 CD PRO A 30 22.827 -15.768 0.960 1.00 1.00 C ATOM 0 HA PRO A 30 21.229 -13.364 2.667 1.00 1.00 H new ATOM 0 HB2 PRO A 30 23.931 -13.384 3.048 1.00 1.00 H new ATOM 0 HB3 PRO A 30 22.988 -14.700 3.719 1.00 1.00 H new ATOM 0 HG2 PRO A 30 24.684 -14.656 1.238 1.00 1.00 H new ATOM 0 HG3 PRO A 30 24.459 -15.951 2.397 1.00 1.00 H new ATOM 0 HD2 PRO A 30 23.106 -15.753 -0.094 1.00 1.00 H new ATOM 0 HD3 PRO A 30 22.625 -16.807 1.222 1.00 1.00 H new ATOM 470 N PRO A 31 22.347 -11.314 1.715 1.00 1.00 N ATOM 471 CA PRO A 31 22.677 -10.061 0.975 1.00 1.00 C ATOM 472 C PRO A 31 23.818 -10.285 -0.021 1.00 1.00 C ATOM 473 O PRO A 31 24.597 -11.226 0.132 1.00 1.00 O ATOM 474 CB PRO A 31 23.090 -9.110 2.104 1.00 1.00 C ATOM 475 CG PRO A 31 22.259 -9.525 3.279 1.00 1.00 C ATOM 476 CD PRO A 31 21.996 -11.032 3.122 1.00 1.00 C ATOM 0 HA PRO A 31 21.853 -9.681 0.371 1.00 1.00 H new ATOM 0 HB2 PRO A 31 24.154 -9.195 2.323 1.00 1.00 H new ATOM 0 HB3 PRO A 31 22.902 -8.071 1.834 1.00 1.00 H new ATOM 0 HG2 PRO A 31 22.780 -9.318 4.214 1.00 1.00 H new ATOM 0 HG3 PRO A 31 21.322 -8.969 3.306 1.00 1.00 H new ATOM 0 HD2 PRO A 31 22.606 -11.617 3.810 1.00 1.00 H new ATOM 0 HD3 PRO A 31 20.955 -11.279 3.330 1.00 1.00 H new ATOM 484 N PRO A 32 23.941 -9.456 -1.030 1.00 1.00 N ATOM 485 CA PRO A 32 25.026 -9.604 -2.047 1.00 1.00 C ATOM 486 C PRO A 32 26.409 -9.471 -1.410 1.00 1.00 C ATOM 487 O PRO A 32 27.071 -8.442 -1.546 1.00 1.00 O ATOM 488 CB PRO A 32 24.746 -8.471 -3.057 1.00 1.00 C ATOM 489 CG PRO A 32 23.899 -7.485 -2.316 1.00 1.00 C ATOM 490 CD PRO A 32 23.079 -8.297 -1.315 1.00 1.00 C ATOM 0 HA PRO A 32 25.029 -10.586 -2.520 1.00 1.00 H new ATOM 0 HB2 PRO A 32 25.673 -8.013 -3.402 1.00 1.00 H new ATOM 0 HB3 PRO A 32 24.230 -8.849 -3.939 1.00 1.00 H new ATOM 0 HG2 PRO A 32 24.517 -6.747 -1.805 1.00 1.00 H new ATOM 0 HG3 PRO A 32 23.249 -6.938 -2.999 1.00 1.00 H new ATOM 0 HD2 PRO A 32 22.864 -7.724 -0.413 1.00 1.00 H new ATOM 0 HD3 PRO A 32 22.120 -8.602 -1.734 1.00 1.00 H new ATOM 498 N VAL A 33 26.829 -10.525 -0.710 1.00 1.00 N ATOM 499 CA VAL A 33 28.125 -10.536 -0.040 1.00 1.00 C ATOM 500 C VAL A 33 28.379 -11.915 0.604 1.00 1.00 C ATOM 501 O VAL A 33 27.764 -12.239 1.618 1.00 1.00 O ATOM 502 CB VAL A 33 28.149 -9.447 1.044 1.00 1.00 C ATOM 503 CG1 VAL A 33 27.020 -9.679 2.068 1.00 1.00 C ATOM 504 CG2 VAL A 33 29.511 -9.461 1.749 1.00 1.00 C ATOM 0 H VAL A 33 26.288 -11.382 -0.593 1.00 1.00 H new ATOM 0 HA VAL A 33 28.907 -10.340 -0.773 1.00 1.00 H new ATOM 0 HB VAL A 33 27.992 -8.475 0.576 1.00 1.00 H new ATOM 0 HG11 VAL A 33 27.052 -8.898 2.828 1.00 1.00 H new ATOM 0 HG12 VAL A 33 26.056 -9.651 1.560 1.00 1.00 H new ATOM 0 HG13 VAL A 33 27.152 -10.652 2.541 1.00 1.00 H new ATOM 0 HG21 VAL A 33 29.530 -8.689 2.518 1.00 1.00 H new ATOM 0 HG22 VAL A 33 29.673 -10.436 2.209 1.00 1.00 H new ATOM 0 HG23 VAL A 33 30.299 -9.268 1.021 1.00 1.00 H new ATOM 514 N PRO A 34 29.254 -12.738 0.059 1.00 1.00 N ATOM 515 CA PRO A 34 29.537 -14.085 0.649 1.00 1.00 C ATOM 516 C PRO A 34 29.938 -13.990 2.127 1.00 1.00 C ATOM 517 O PRO A 34 30.568 -13.020 2.547 1.00 1.00 O ATOM 518 CB PRO A 34 30.693 -14.639 -0.208 1.00 1.00 C ATOM 519 CG PRO A 34 30.656 -13.864 -1.490 1.00 1.00 C ATOM 520 CD PRO A 34 30.047 -12.498 -1.164 1.00 1.00 C ATOM 0 HA PRO A 34 28.658 -14.729 0.635 1.00 1.00 H new ATOM 0 HB2 PRO A 34 31.650 -14.513 0.298 1.00 1.00 H new ATOM 0 HB3 PRO A 34 30.567 -15.706 -0.392 1.00 1.00 H new ATOM 0 HG2 PRO A 34 31.659 -13.752 -1.903 1.00 1.00 H new ATOM 0 HG3 PRO A 34 30.059 -14.384 -2.239 1.00 1.00 H new ATOM 0 HD2 PRO A 34 30.819 -11.747 -0.997 1.00 1.00 H new ATOM 0 HD3 PRO A 34 29.421 -12.136 -1.980 1.00 1.00 H new ATOM 528 N ASN A 35 29.555 -15.001 2.910 1.00 1.00 N ATOM 529 CA ASN A 35 29.869 -15.016 4.340 1.00 1.00 C ATOM 530 C ASN A 35 31.334 -15.391 4.579 1.00 1.00 C ATOM 531 O ASN A 35 31.998 -14.803 5.433 1.00 1.00 O ATOM 532 CB ASN A 35 28.946 -16.025 5.069 1.00 1.00 C ATOM 533 CG ASN A 35 28.011 -15.321 6.056 1.00 1.00 C ATOM 534 OD1 ASN A 35 28.174 -15.455 7.269 1.00 1.00 O ATOM 535 ND2 ASN A 35 27.037 -14.581 5.603 1.00 1.00 N ATOM 0 H ASN A 35 29.032 -15.813 2.582 1.00 1.00 H new ATOM 0 HA ASN A 35 29.703 -14.014 4.736 1.00 1.00 H new ATOM 0 HB2 ASN A 35 28.355 -16.574 4.336 1.00 1.00 H new ATOM 0 HB3 ASN A 35 29.554 -16.757 5.601 1.00 1.00 H new ATOM 0 HD21 ASN A 35 26.408 -14.111 6.254 1.00 1.00 H new ATOM 0 HD22 ASN A 35 26.905 -14.472 4.598 1.00 1.00 H new ATOM 542 N PRO A 36 31.842 -16.363 3.865 1.00 1.00 N ATOM 543 CA PRO A 36 33.248 -16.818 4.037 1.00 1.00 C ATOM 544 C PRO A 36 34.214 -15.662 3.852 1.00 1.00 C ATOM 545 O PRO A 36 35.372 -15.740 4.249 1.00 1.00 O ATOM 546 CB PRO A 36 33.428 -17.916 2.970 1.00 1.00 C ATOM 547 CG PRO A 36 32.035 -18.362 2.642 1.00 1.00 C ATOM 548 CD PRO A 36 31.146 -17.131 2.821 1.00 1.00 C ATOM 0 HA PRO A 36 33.454 -17.200 5.037 1.00 1.00 H new ATOM 0 HB2 PRO A 36 33.938 -17.530 2.087 1.00 1.00 H new ATOM 0 HB3 PRO A 36 34.029 -18.742 3.350 1.00 1.00 H new ATOM 0 HG2 PRO A 36 31.977 -18.741 1.622 1.00 1.00 H new ATOM 0 HG3 PRO A 36 31.719 -19.171 3.301 1.00 1.00 H new ATOM 0 HD2 PRO A 36 31.055 -16.562 1.896 1.00 1.00 H new ATOM 0 HD3 PRO A 36 30.136 -17.404 3.128 1.00 1.00 H new ATOM 556 N ASP A 37 33.722 -14.579 3.272 1.00 1.00 N ATOM 557 CA ASP A 37 34.563 -13.404 3.075 1.00 1.00 C ATOM 558 C ASP A 37 35.206 -13.023 4.404 1.00 1.00 C ATOM 559 O ASP A 37 36.256 -12.386 4.440 1.00 1.00 O ATOM 560 CB ASP A 37 33.748 -12.212 2.555 1.00 1.00 C ATOM 561 CG ASP A 37 33.305 -12.468 1.120 1.00 1.00 C ATOM 562 OD1 ASP A 37 33.738 -13.458 0.555 1.00 1.00 O ATOM 563 OD2 ASP A 37 32.536 -11.672 0.610 1.00 1.00 O ATOM 0 H ASP A 37 32.764 -14.486 2.934 1.00 1.00 H new ATOM 0 HA ASP A 37 35.324 -13.649 2.334 1.00 1.00 H new ATOM 0 HB2 ASP A 37 32.877 -12.052 3.190 1.00 1.00 H new ATOM 0 HB3 ASP A 37 34.348 -11.303 2.602 1.00 1.00 H new ATOM 568 N TYR A 38 34.559 -13.434 5.496 1.00 1.00 N ATOM 569 CA TYR A 38 35.066 -13.150 6.845 1.00 1.00 C ATOM 570 C TYR A 38 36.061 -14.232 7.294 1.00 1.00 C ATOM 571 O TYR A 38 36.130 -14.576 8.474 1.00 1.00 O ATOM 572 CB TYR A 38 33.891 -13.050 7.852 1.00 1.00 C ATOM 573 CG TYR A 38 33.369 -11.633 7.905 1.00 1.00 C ATOM 574 CD1 TYR A 38 34.095 -10.662 8.599 1.00 1.00 C ATOM 575 CD2 TYR A 38 32.160 -11.294 7.286 1.00 1.00 C ATOM 576 CE1 TYR A 38 33.623 -9.353 8.678 1.00 1.00 C ATOM 577 CE2 TYR A 38 31.685 -9.979 7.360 1.00 1.00 C ATOM 578 CZ TYR A 38 32.416 -9.007 8.058 1.00 1.00 C ATOM 579 OH TYR A 38 31.946 -7.712 8.136 1.00 1.00 O ATOM 0 H TYR A 38 33.687 -13.962 5.476 1.00 1.00 H new ATOM 0 HA TYR A 38 35.589 -12.194 6.818 1.00 1.00 H new ATOM 0 HB2 TYR A 38 33.091 -13.729 7.557 1.00 1.00 H new ATOM 0 HB3 TYR A 38 34.224 -13.360 8.843 1.00 1.00 H new ATOM 0 HD1 TYR A 38 35.027 -10.927 9.077 1.00 1.00 H new ATOM 0 HD2 TYR A 38 31.595 -12.045 6.753 1.00 1.00 H new ATOM 0 HE1 TYR A 38 34.187 -8.606 9.217 1.00 1.00 H new ATOM 0 HE2 TYR A 38 30.755 -9.713 6.879 1.00 1.00 H new ATOM 0 HH TYR A 38 31.097 -7.642 7.651 1.00 1.00 H new ATOM 589 N GLU A 39 36.843 -14.750 6.346 1.00 1.00 N ATOM 590 CA GLU A 39 37.852 -15.783 6.663 1.00 1.00 C ATOM 591 C GLU A 39 39.199 -15.149 7.066 1.00 1.00 C ATOM 592 O GLU A 39 39.914 -15.702 7.900 1.00 1.00 O ATOM 593 CB GLU A 39 38.080 -16.759 5.460 1.00 1.00 C ATOM 594 CG GLU A 39 37.591 -18.170 5.815 1.00 1.00 C ATOM 595 CD GLU A 39 38.503 -18.784 6.870 1.00 1.00 C ATOM 596 OE1 GLU A 39 39.675 -18.964 6.581 1.00 1.00 O ATOM 597 OE2 GLU A 39 38.018 -19.063 7.954 1.00 1.00 O ATOM 0 H GLU A 39 36.805 -14.481 5.363 1.00 1.00 H new ATOM 0 HA GLU A 39 37.459 -16.351 7.506 1.00 1.00 H new ATOM 0 HB2 GLU A 39 37.549 -16.394 4.581 1.00 1.00 H new ATOM 0 HB3 GLU A 39 39.139 -16.788 5.203 1.00 1.00 H new ATOM 0 HG2 GLU A 39 36.567 -18.127 6.187 1.00 1.00 H new ATOM 0 HG3 GLU A 39 37.580 -18.796 4.923 1.00 1.00 H new ATOM 604 N PRO A 40 39.570 -14.034 6.480 1.00 1.00 N ATOM 605 CA PRO A 40 40.874 -13.363 6.784 1.00 1.00 C ATOM 606 C PRO A 40 41.058 -13.045 8.264 1.00 1.00 C ATOM 607 O PRO A 40 42.151 -12.685 8.699 1.00 1.00 O ATOM 608 CB PRO A 40 40.846 -12.082 5.929 1.00 1.00 C ATOM 609 CG PRO A 40 39.851 -12.358 4.848 1.00 1.00 C ATOM 610 CD PRO A 40 38.809 -13.287 5.466 1.00 1.00 C ATOM 0 HA PRO A 40 41.717 -14.013 6.551 1.00 1.00 H new ATOM 0 HB2 PRO A 40 40.552 -11.217 6.524 1.00 1.00 H new ATOM 0 HB3 PRO A 40 41.830 -11.864 5.513 1.00 1.00 H new ATOM 0 HG2 PRO A 40 39.391 -11.435 4.495 1.00 1.00 H new ATOM 0 HG3 PRO A 40 40.329 -12.825 3.987 1.00 1.00 H new ATOM 0 HD2 PRO A 40 37.988 -12.727 5.913 1.00 1.00 H new ATOM 0 HD3 PRO A 40 38.373 -13.953 4.721 1.00 1.00 H new ATOM 618 N ILE A 41 39.986 -13.168 9.025 1.00 1.00 N ATOM 619 CA ILE A 41 40.031 -12.881 10.455 1.00 1.00 C ATOM 620 C ILE A 41 40.418 -14.120 11.246 1.00 1.00 C ATOM 621 O ILE A 41 40.552 -14.080 12.468 1.00 1.00 O ATOM 622 CB ILE A 41 38.667 -12.363 10.915 1.00 1.00 C ATOM 623 CG1 ILE A 41 37.606 -13.507 10.884 1.00 1.00 C ATOM 624 CG2 ILE A 41 38.234 -11.214 9.990 1.00 1.00 C ATOM 625 CD1 ILE A 41 37.325 -14.007 12.310 1.00 1.00 C ATOM 0 H ILE A 41 39.072 -13.464 8.681 1.00 1.00 H new ATOM 0 HA ILE A 41 40.788 -12.118 10.635 1.00 1.00 H new ATOM 0 HB ILE A 41 38.745 -12.002 11.941 1.00 1.00 H new ATOM 0 HG12 ILE A 41 36.684 -13.146 10.429 1.00 1.00 H new ATOM 0 HG13 ILE A 41 37.965 -14.330 10.266 1.00 1.00 H new ATOM 0 HG21 ILE A 41 37.262 -10.837 10.309 1.00 1.00 H new ATOM 0 HG22 ILE A 41 38.969 -10.411 10.039 1.00 1.00 H new ATOM 0 HG23 ILE A 41 38.163 -11.579 8.965 1.00 1.00 H new ATOM 0 HD11 ILE A 41 36.583 -14.805 12.276 1.00 1.00 H new ATOM 0 HD12 ILE A 41 38.247 -14.387 12.751 1.00 1.00 H new ATOM 0 HD13 ILE A 41 36.945 -13.184 12.916 1.00 1.00 H new ATOM 637 N ARG A 42 40.624 -15.208 10.528 1.00 1.00 N ATOM 638 CA ARG A 42 41.031 -16.476 11.134 1.00 1.00 C ATOM 639 C ARG A 42 42.216 -17.037 10.357 1.00 1.00 C ATOM 640 O ARG A 42 42.046 -17.718 9.345 1.00 1.00 O ATOM 641 CB ARG A 42 39.854 -17.473 11.115 1.00 1.00 C ATOM 642 CG ARG A 42 39.982 -18.488 12.264 1.00 1.00 C ATOM 643 CD ARG A 42 41.184 -19.406 12.017 1.00 1.00 C ATOM 644 NE ARG A 42 41.156 -20.534 12.938 1.00 1.00 N ATOM 645 CZ ARG A 42 42.092 -21.479 12.896 1.00 1.00 C ATOM 646 NH1 ARG A 42 43.052 -21.410 12.013 1.00 1.00 N ATOM 647 NH2 ARG A 42 42.048 -22.475 13.737 1.00 1.00 N ATOM 0 H ARG A 42 40.517 -15.245 9.514 1.00 1.00 H new ATOM 0 HA ARG A 42 41.323 -16.312 12.171 1.00 1.00 H new ATOM 0 HB2 ARG A 42 38.912 -16.932 11.204 1.00 1.00 H new ATOM 0 HB3 ARG A 42 39.831 -17.998 10.160 1.00 1.00 H new ATOM 0 HG2 ARG A 42 40.102 -17.964 13.212 1.00 1.00 H new ATOM 0 HG3 ARG A 42 39.070 -19.081 12.341 1.00 1.00 H new ATOM 0 HD2 ARG A 42 41.169 -19.767 10.989 1.00 1.00 H new ATOM 0 HD3 ARG A 42 42.110 -18.846 12.145 1.00 1.00 H new ATOM 0 HE ARG A 42 40.407 -20.601 13.627 1.00 1.00 H new ATOM 0 HH11 ARG A 42 43.085 -20.631 11.355 1.00 1.00 H new ATOM 0 HH12 ARG A 42 43.769 -22.135 11.982 1.00 1.00 H new ATOM 0 HH21 ARG A 42 41.297 -22.529 14.425 1.00 1.00 H new ATOM 0 HH22 ARG A 42 42.764 -23.200 13.706 1.00 1.00 H new ATOM 661 N LYS A 43 43.419 -16.736 10.839 1.00 1.00 N ATOM 662 CA LYS A 43 44.643 -17.194 10.198 1.00 1.00 C ATOM 663 C LYS A 43 45.657 -17.601 11.270 1.00 1.00 C ATOM 664 O LYS A 43 45.524 -17.238 12.439 1.00 1.00 O ATOM 665 CB LYS A 43 45.197 -16.065 9.313 1.00 1.00 C ATOM 666 CG LYS A 43 46.449 -16.508 8.533 1.00 1.00 C ATOM 667 CD LYS A 43 46.113 -17.677 7.595 1.00 1.00 C ATOM 668 CE LYS A 43 47.184 -17.791 6.507 1.00 1.00 C ATOM 669 NZ LYS A 43 46.849 -18.923 5.596 1.00 1.00 N ATOM 0 H LYS A 43 43.570 -16.173 11.676 1.00 1.00 H new ATOM 0 HA LYS A 43 44.441 -18.063 9.571 1.00 1.00 H new ATOM 0 HB2 LYS A 43 44.427 -15.743 8.611 1.00 1.00 H new ATOM 0 HB3 LYS A 43 45.442 -15.204 9.935 1.00 1.00 H new ATOM 0 HG2 LYS A 43 46.839 -15.671 7.955 1.00 1.00 H new ATOM 0 HG3 LYS A 43 47.232 -16.807 9.230 1.00 1.00 H new ATOM 0 HD2 LYS A 43 46.057 -18.606 8.162 1.00 1.00 H new ATOM 0 HD3 LYS A 43 45.135 -17.521 7.141 1.00 1.00 H new ATOM 0 HE2 LYS A 43 47.244 -16.861 5.942 1.00 1.00 H new ATOM 0 HE3 LYS A 43 48.162 -17.952 6.960 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 47.576 -19.001 4.857 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 46.813 -19.808 6.141 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 45.923 -18.751 5.154 1.00 1.00 H new ATOM 683 N GLY A 44 46.652 -18.367 10.858 1.00 1.00 N ATOM 684 CA GLY A 44 47.693 -18.852 11.775 1.00 1.00 C ATOM 685 C GLY A 44 48.071 -17.804 12.818 1.00 1.00 C ATOM 686 O GLY A 44 47.768 -17.956 14.000 1.00 1.00 O ATOM 0 H GLY A 44 46.769 -18.673 9.892 1.00 1.00 H new ATOM 0 HA2 GLY A 44 47.342 -19.753 12.278 1.00 1.00 H new ATOM 0 HA3 GLY A 44 48.578 -19.130 11.203 1.00 1.00 H new ATOM 690 N GLN A 45 48.743 -16.745 12.375 1.00 1.00 N ATOM 691 CA GLN A 45 49.167 -15.680 13.292 1.00 1.00 C ATOM 692 C GLN A 45 49.712 -16.271 14.588 1.00 1.00 C ATOM 693 O GLN A 45 48.991 -16.427 15.575 1.00 1.00 O ATOM 694 CB GLN A 45 47.987 -14.756 13.588 1.00 1.00 C ATOM 695 CG GLN A 45 47.662 -13.966 12.322 1.00 1.00 C ATOM 696 CD GLN A 45 46.419 -13.110 12.542 1.00 1.00 C ATOM 697 OE1 GLN A 45 46.517 -11.980 13.020 1.00 1.00 O ATOM 698 NE2 GLN A 45 45.248 -13.584 12.216 1.00 1.00 N ATOM 0 H GLN A 45 49.005 -16.598 11.400 1.00 1.00 H new ATOM 0 HA GLN A 45 49.963 -15.105 12.818 1.00 1.00 H new ATOM 0 HB2 GLN A 45 47.121 -15.337 13.905 1.00 1.00 H new ATOM 0 HB3 GLN A 45 48.232 -14.078 14.405 1.00 1.00 H new ATOM 0 HG2 GLN A 45 48.507 -13.332 12.053 1.00 1.00 H new ATOM 0 HG3 GLN A 45 47.499 -14.650 11.489 1.00 1.00 H new ATOM 0 HE21 GLN A 45 45.169 -14.521 11.820 1.00 1.00 H new ATOM 0 HE22 GLN A 45 44.411 -13.018 12.357 1.00 1.00 H new ATOM 707 N ARG A 46 50.998 -16.593 14.563 1.00 1.00 N ATOM 708 CA ARG A 46 51.675 -17.167 15.719 1.00 1.00 C ATOM 709 C ARG A 46 53.160 -17.326 15.425 1.00 1.00 C ATOM 710 O ARG A 46 53.988 -17.352 16.335 1.00 1.00 O ATOM 711 CB ARG A 46 51.083 -18.535 16.077 1.00 1.00 C ATOM 712 CG ARG A 46 51.134 -19.465 14.858 1.00 1.00 C ATOM 713 CD ARG A 46 50.680 -20.869 15.270 1.00 1.00 C ATOM 714 NE ARG A 46 50.711 -21.776 14.122 1.00 1.00 N ATOM 715 CZ ARG A 46 49.635 -21.987 13.363 1.00 1.00 C ATOM 716 NH1 ARG A 46 48.505 -21.395 13.637 1.00 1.00 N ATOM 717 NH2 ARG A 46 49.710 -22.792 12.338 1.00 1.00 N ATOM 0 H ARG A 46 51.598 -16.465 13.748 1.00 1.00 H new ATOM 0 HA ARG A 46 51.535 -16.491 16.563 1.00 1.00 H new ATOM 0 HB2 ARG A 46 51.639 -18.976 16.904 1.00 1.00 H new ATOM 0 HB3 ARG A 46 50.052 -18.418 16.412 1.00 1.00 H new ATOM 0 HG2 ARG A 46 50.491 -19.081 14.066 1.00 1.00 H new ATOM 0 HG3 ARG A 46 52.147 -19.501 14.457 1.00 1.00 H new ATOM 0 HD2 ARG A 46 51.328 -21.250 16.059 1.00 1.00 H new ATOM 0 HD3 ARG A 46 49.671 -20.826 15.679 1.00 1.00 H new ATOM 0 HE ARG A 46 51.580 -22.260 13.896 1.00 1.00 H new ATOM 0 HH11 ARG A 46 48.440 -20.765 14.437 1.00 1.00 H new ATOM 0 HH12 ARG A 46 47.687 -21.562 13.051 1.00 1.00 H new ATOM 0 HH21 ARG A 46 50.590 -23.258 12.119 1.00 1.00 H new ATOM 0 HH22 ARG A 46 48.888 -22.955 11.756 1.00 1.00 H new ATOM 731 N ASP A 47 53.484 -17.437 14.142 1.00 1.00 N ATOM 732 CA ASP A 47 54.872 -17.598 13.730 1.00 1.00 C ATOM 733 C ASP A 47 55.645 -16.335 14.026 1.00 1.00 C ATOM 734 O ASP A 47 56.846 -16.368 14.295 1.00 1.00 O ATOM 735 CB ASP A 47 54.970 -17.916 12.237 1.00 1.00 C ATOM 736 CG ASP A 47 54.184 -19.181 11.919 1.00 1.00 C ATOM 737 OD1 ASP A 47 54.004 -19.984 12.820 1.00 1.00 O ATOM 738 OD2 ASP A 47 53.774 -19.330 10.779 1.00 1.00 O ATOM 0 H ASP A 47 52.811 -17.419 13.376 1.00 1.00 H new ATOM 0 HA ASP A 47 55.297 -18.431 14.290 1.00 1.00 H new ATOM 0 HB2 ASP A 47 54.582 -17.081 11.653 1.00 1.00 H new ATOM 0 HB3 ASP A 47 56.014 -18.046 11.953 1.00 1.00 H new ATOM 743 N LEU A 48 54.943 -15.220 13.974 1.00 1.00 N ATOM 744 CA LEU A 48 55.568 -13.938 14.238 1.00 1.00 C ATOM 745 C LEU A 48 56.095 -13.896 15.674 1.00 1.00 C ATOM 746 O LEU A 48 57.178 -13.371 15.918 1.00 1.00 O ATOM 747 CB LEU A 48 54.573 -12.783 13.986 1.00 1.00 C ATOM 748 CG LEU A 48 54.503 -12.440 12.483 1.00 1.00 C ATOM 749 CD1 LEU A 48 55.789 -11.730 12.016 1.00 1.00 C ATOM 750 CD2 LEU A 48 54.295 -13.727 11.671 1.00 1.00 C ATOM 0 H LEU A 48 53.948 -15.175 13.753 1.00 1.00 H new ATOM 0 HA LEU A 48 56.408 -13.813 13.555 1.00 1.00 H new ATOM 0 HB2 LEU A 48 53.583 -13.064 14.346 1.00 1.00 H new ATOM 0 HB3 LEU A 48 54.880 -11.903 14.551 1.00 1.00 H new ATOM 0 HG LEU A 48 53.663 -11.764 12.322 1.00 1.00 H new ATOM 0 HD11 LEU A 48 55.712 -11.500 10.953 1.00 1.00 H new ATOM 0 HD12 LEU A 48 55.919 -10.806 12.579 1.00 1.00 H new ATOM 0 HD13 LEU A 48 56.646 -12.382 12.185 1.00 1.00 H new ATOM 0 HD21 LEU A 48 54.246 -13.484 10.610 1.00 1.00 H new ATOM 0 HD22 LEU A 48 55.127 -14.408 11.849 1.00 1.00 H new ATOM 0 HD23 LEU A 48 53.364 -14.204 11.977 1.00 1.00 H new ATOM 762 N TYR A 49 55.335 -14.448 16.625 1.00 1.00 N ATOM 763 CA TYR A 49 55.769 -14.445 18.023 1.00 1.00 C ATOM 764 C TYR A 49 56.684 -15.633 18.335 1.00 1.00 C ATOM 765 O TYR A 49 57.688 -15.477 19.030 1.00 1.00 O ATOM 766 CB TYR A 49 54.555 -14.460 18.965 1.00 1.00 C ATOM 767 CG TYR A 49 53.650 -13.290 18.649 1.00 1.00 C ATOM 768 CD1 TYR A 49 53.919 -12.028 19.192 1.00 1.00 C ATOM 769 CD2 TYR A 49 52.538 -13.472 17.817 1.00 1.00 C ATOM 770 CE1 TYR A 49 53.076 -10.947 18.903 1.00 1.00 C ATOM 771 CE2 TYR A 49 51.695 -12.391 17.530 1.00 1.00 C ATOM 772 CZ TYR A 49 51.964 -11.129 18.073 1.00 1.00 C ATOM 773 OH TYR A 49 51.132 -10.064 17.790 1.00 1.00 O ATOM 0 H TYR A 49 54.433 -14.894 16.457 1.00 1.00 H new ATOM 0 HA TYR A 49 56.338 -13.529 18.184 1.00 1.00 H new ATOM 0 HB2 TYR A 49 54.008 -15.396 18.854 1.00 1.00 H new ATOM 0 HB3 TYR A 49 54.886 -14.406 20.002 1.00 1.00 H new ATOM 0 HD1 TYR A 49 54.776 -11.888 19.834 1.00 1.00 H new ATOM 0 HD2 TYR A 49 52.331 -14.445 17.397 1.00 1.00 H new ATOM 0 HE1 TYR A 49 53.284 -9.973 19.321 1.00 1.00 H new ATOM 0 HE2 TYR A 49 50.837 -12.531 16.889 1.00 1.00 H new ATOM 0 HH TYR A 49 50.409 -10.362 17.199 1.00 1.00 H new ATOM 783 N SER A 50 56.338 -16.816 17.833 1.00 1.00 N ATOM 784 CA SER A 50 57.152 -18.002 18.093 1.00 1.00 C ATOM 785 C SER A 50 58.507 -17.899 17.407 1.00 1.00 C ATOM 786 O SER A 50 59.530 -18.288 17.968 1.00 1.00 O ATOM 787 CB SER A 50 56.431 -19.261 17.609 1.00 1.00 C ATOM 788 OG SER A 50 55.119 -19.289 18.153 1.00 1.00 O ATOM 0 H SER A 50 55.514 -16.979 17.254 1.00 1.00 H new ATOM 0 HA SER A 50 57.309 -18.066 19.170 1.00 1.00 H new ATOM 0 HB2 SER A 50 56.386 -19.272 16.520 1.00 1.00 H new ATOM 0 HB3 SER A 50 56.983 -20.150 17.914 1.00 1.00 H new ATOM 0 HG SER A 50 54.542 -18.681 17.646 1.00 1.00 H new ATOM 794 N GLY A 51 58.502 -17.382 16.186 1.00 1.00 N ATOM 795 CA GLY A 51 59.742 -17.245 15.416 1.00 1.00 C ATOM 796 C GLY A 51 60.544 -16.022 15.862 1.00 1.00 C ATOM 797 O GLY A 51 61.672 -15.810 15.415 1.00 1.00 O ATOM 0 H GLY A 51 57.665 -17.052 15.706 1.00 1.00 H new ATOM 0 HA2 GLY A 51 60.348 -18.143 15.537 1.00 1.00 H new ATOM 0 HA3 GLY A 51 59.506 -17.160 14.355 1.00 1.00 H new ATOM 801 N LEU A 52 59.951 -15.219 16.737 1.00 1.00 N ATOM 802 CA LEU A 52 60.614 -14.010 17.229 1.00 1.00 C ATOM 803 C LEU A 52 61.879 -14.380 18.013 1.00 1.00 C ATOM 804 O LEU A 52 62.832 -13.609 18.068 1.00 1.00 O ATOM 805 CB LEU A 52 59.642 -13.181 18.109 1.00 1.00 C ATOM 806 CG LEU A 52 59.912 -11.669 17.972 1.00 1.00 C ATOM 807 CD1 LEU A 52 61.360 -11.353 18.374 1.00 1.00 C ATOM 808 CD2 LEU A 52 59.642 -11.201 16.518 1.00 1.00 C ATOM 0 H LEU A 52 59.019 -15.378 17.120 1.00 1.00 H new ATOM 0 HA LEU A 52 60.907 -13.398 16.376 1.00 1.00 H new ATOM 0 HB2 LEU A 52 58.613 -13.396 17.820 1.00 1.00 H new ATOM 0 HB3 LEU A 52 59.749 -13.479 19.152 1.00 1.00 H new ATOM 0 HG LEU A 52 59.237 -11.132 18.639 1.00 1.00 H new ATOM 0 HD11 LEU A 52 61.540 -10.283 18.274 1.00 1.00 H new ATOM 0 HD12 LEU A 52 61.524 -11.653 19.409 1.00 1.00 H new ATOM 0 HD13 LEU A 52 62.045 -11.899 17.725 1.00 1.00 H new ATOM 0 HD21 LEU A 52 59.837 -10.132 16.438 1.00 1.00 H new ATOM 0 HD22 LEU A 52 60.297 -11.742 15.834 1.00 1.00 H new ATOM 0 HD23 LEU A 52 58.602 -11.401 16.259 1.00 1.00 H new ATOM 820 N ASN A 53 61.863 -15.562 18.622 1.00 1.00 N ATOM 821 CA ASN A 53 63.008 -16.047 19.424 1.00 1.00 C ATOM 822 C ASN A 53 64.349 -15.551 18.881 1.00 1.00 C ATOM 823 O ASN A 53 65.308 -15.414 19.639 1.00 1.00 O ATOM 824 CB ASN A 53 63.022 -17.583 19.489 1.00 1.00 C ATOM 825 CG ASN A 53 62.988 -18.164 18.081 1.00 1.00 C ATOM 826 OD1 ASN A 53 63.976 -18.736 17.622 1.00 1.00 O ATOM 827 ND2 ASN A 53 61.907 -18.048 17.361 1.00 1.00 N ATOM 0 H ASN A 53 61.076 -16.209 18.582 1.00 1.00 H new ATOM 0 HA ASN A 53 62.877 -15.640 20.427 1.00 1.00 H new ATOM 0 HB2 ASN A 53 63.916 -17.925 20.011 1.00 1.00 H new ATOM 0 HB3 ASN A 53 62.164 -17.939 20.059 1.00 1.00 H new ATOM 0 HD21 ASN A 53 61.880 -18.432 16.416 1.00 1.00 H new ATOM 0 HD22 ASN A 53 61.089 -17.574 17.743 1.00 1.00 H new ATOM 834 N GLN A 54 64.406 -15.262 17.582 1.00 1.00 N ATOM 835 CA GLN A 54 65.634 -14.759 16.946 1.00 1.00 C ATOM 836 C GLN A 54 66.877 -15.530 17.400 1.00 1.00 C ATOM 837 O GLN A 54 68.001 -15.143 17.086 1.00 1.00 O ATOM 838 CB GLN A 54 65.815 -13.253 17.223 1.00 1.00 C ATOM 839 CG GLN A 54 66.006 -12.973 18.722 1.00 1.00 C ATOM 840 CD GLN A 54 66.448 -11.527 18.926 1.00 1.00 C ATOM 841 OE1 GLN A 54 67.124 -10.956 18.070 1.00 1.00 O ATOM 842 NE2 GLN A 54 66.110 -10.898 20.019 1.00 1.00 N ATOM 0 H GLN A 54 63.617 -15.366 16.944 1.00 1.00 H new ATOM 0 HA GLN A 54 65.522 -14.914 15.873 1.00 1.00 H new ATOM 0 HB2 GLN A 54 66.678 -12.882 16.670 1.00 1.00 H new ATOM 0 HB3 GLN A 54 64.944 -12.708 16.858 1.00 1.00 H new ATOM 0 HG2 GLN A 54 65.074 -13.157 19.257 1.00 1.00 H new ATOM 0 HG3 GLN A 54 66.751 -13.652 19.136 1.00 1.00 H new ATOM 0 HE21 GLN A 54 65.550 -11.372 20.728 1.00 1.00 H new ATOM 0 HE22 GLN A 54 66.406 -9.933 20.164 1.00 1.00 H new ATOM 851 N ARG A 55 66.675 -16.617 18.135 1.00 1.00 N ATOM 852 CA ARG A 55 67.811 -17.417 18.610 1.00 1.00 C ATOM 853 C ARG A 55 68.877 -16.513 19.223 1.00 1.00 C ATOM 854 O ARG A 55 70.009 -16.461 18.740 1.00 1.00 O ATOM 855 CB ARG A 55 68.435 -18.200 17.446 1.00 1.00 C ATOM 856 CG ARG A 55 69.388 -19.264 17.999 1.00 1.00 C ATOM 857 CD ARG A 55 70.017 -20.041 16.839 1.00 1.00 C ATOM 858 NE ARG A 55 70.825 -21.150 17.348 1.00 1.00 N ATOM 859 CZ ARG A 55 70.295 -22.351 17.575 1.00 1.00 C ATOM 860 NH1 ARG A 55 69.032 -22.569 17.328 1.00 1.00 N ATOM 861 NH2 ARG A 55 71.040 -23.314 18.043 1.00 1.00 N ATOM 0 H ARG A 55 65.757 -16.964 18.414 1.00 1.00 H new ATOM 0 HA ARG A 55 67.444 -18.113 19.364 1.00 1.00 H new ATOM 0 HB2 ARG A 55 67.653 -18.671 16.850 1.00 1.00 H new ATOM 0 HB3 ARG A 55 68.974 -17.522 16.785 1.00 1.00 H new ATOM 0 HG2 ARG A 55 70.166 -18.793 18.599 1.00 1.00 H new ATOM 0 HG3 ARG A 55 68.847 -19.945 18.656 1.00 1.00 H new ATOM 0 HD2 ARG A 55 69.235 -20.423 16.182 1.00 1.00 H new ATOM 0 HD3 ARG A 55 70.638 -19.375 16.241 1.00 1.00 H new ATOM 0 HE ARG A 55 71.817 -21.000 17.533 1.00 1.00 H new ATOM 0 HH11 ARG A 55 68.447 -21.819 16.960 1.00 1.00 H new ATOM 0 HH12 ARG A 55 68.630 -23.490 17.503 1.00 1.00 H new ATOM 0 HH21 ARG A 55 72.028 -23.147 18.235 1.00 1.00 H new ATOM 0 HH22 ARG A 55 70.635 -24.234 18.217 1.00 1.00 H new ATOM 875 N ALA A 56 68.511 -15.803 20.289 1.00 1.00 N ATOM 876 CA ALA A 56 69.451 -14.898 20.968 1.00 1.00 C ATOM 877 C ALA A 56 70.364 -14.199 19.963 1.00 1.00 C ATOM 878 O ALA A 56 71.574 -14.424 19.951 1.00 1.00 O ATOM 879 CB ALA A 56 70.306 -15.685 21.959 1.00 1.00 C ATOM 0 H ALA A 56 67.579 -15.833 20.702 1.00 1.00 H new ATOM 0 HA ALA A 56 68.869 -14.143 21.496 1.00 1.00 H new ATOM 0 HB1 ALA A 56 71.000 -15.009 22.458 1.00 1.00 H new ATOM 0 HB2 ALA A 56 69.662 -16.157 22.701 1.00 1.00 H new ATOM 0 HB3 ALA A 56 70.868 -16.452 21.426 1.00 1.00 H new ATOM 885 N VAL A 57 69.773 -13.356 19.126 1.00 1.00 N ATOM 886 CA VAL A 57 70.542 -12.626 18.116 1.00 1.00 C ATOM 887 C VAL A 57 71.333 -13.598 17.244 1.00 1.00 C ATOM 888 O VAL A 57 71.434 -14.754 17.619 1.00 1.00 O ATOM 889 CB VAL A 57 71.495 -11.649 18.806 1.00 1.00 C ATOM 890 CG1 VAL A 57 72.416 -10.999 17.770 1.00 1.00 C ATOM 891 CG2 VAL A 57 70.679 -10.565 19.515 1.00 1.00 C ATOM 892 OXT VAL A 57 71.822 -13.171 16.211 1.00 1.00 O ATOM 0 H VAL A 57 68.772 -13.159 19.123 1.00 1.00 H new ATOM 0 HA VAL A 57 69.853 -12.071 17.479 1.00 1.00 H new ATOM 0 HB VAL A 57 72.102 -12.189 19.533 1.00 1.00 H new ATOM 0 HG11 VAL A 57 73.092 -10.304 18.269 1.00 1.00 H new ATOM 0 HG12 VAL A 57 72.997 -11.771 17.265 1.00 1.00 H new ATOM 0 HG13 VAL A 57 71.816 -10.459 17.038 1.00 1.00 H new ATOM 0 HG21 VAL A 57 71.354 -9.866 20.009 1.00 1.00 H new ATOM 0 HG22 VAL A 57 70.073 -10.030 18.784 1.00 1.00 H new ATOM 0 HG23 VAL A 57 70.028 -11.027 20.258 1.00 1.00 H new TER 902 VAL A 57