USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 637 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 37 GLN : amide:sc= 0.619 K(o=1.1,f=-7.4!) USER MOD Set 1.2: A 51 TYR OH : rot 163:sc= 0.962 USER MOD Set 1.3: A 58 SER OG : rot 148:sc= -0.454 USER MOD Set 2.1: A 28 HIS : no HD1:sc= -0.0629 X(o=-0.063,f=0) USER MOD Set 2.2: A 31 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0429) USER MOD Set 3.1: A 14 SER OG : rot 179:sc= -0.413 USER MOD Set 3.2: A 18 LYS NZ :NH3+ 152:sc= 0.0305 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.029 X(o=-0.029,f=0.47) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0646) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.102) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.038 X(o=-0.038,f=-0.41) USER MOD Single : A 13 THR OG1 : rot -59:sc= 1.13 USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= -0.0444 (180deg=-0.331) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.817 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0282 F(o=-1.6,f=-0.028) USER MOD Single : A 38 GLN : amide:sc= -1.89 X(o=-1.9,f=-1.5) USER MOD Single : A 39 LYS NZ :NH3+ 123:sc= -0.0425 (180deg=-1.07) USER MOD Single : A 41 HIS : no HD1:sc= -0.189 X(o=-0.19,f=0.00089) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -1.28 F(o=-2.2,f=-1.3) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= -0.105 (180deg=-0.523) USER MOD Single : A 65 GLN : amide:sc= -0.486 K(o=-0.49,f=-2.1) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0516 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.13 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.124 -2.203 -19.049 1.00 15.22 N ATOM 2 CA GLY A 1 -2.955 -1.825 -18.277 1.00 12.30 C ATOM 3 C GLY A 1 -2.663 -2.798 -17.152 1.00 71.24 C ATOM 4 O GLY A 1 -1.711 -3.575 -17.226 1.00 41.32 O ATOM 0 H1 GLY A 1 -4.281 -1.506 -19.805 1.00 15.22 H new ATOM 0 H2 GLY A 1 -3.974 -3.142 -19.469 1.00 15.22 H new ATOM 0 H3 GLY A 1 -4.957 -2.232 -18.427 1.00 15.22 H new ATOM 0 HA2 GLY A 1 -2.090 -1.768 -18.938 1.00 12.30 H new ATOM 0 HA3 GLY A 1 -3.105 -0.828 -17.862 1.00 12.30 H new ATOM 8 N SER A 2 -3.483 -2.756 -16.107 1.00 53.03 N ATOM 9 CA SER A 2 -3.305 -3.638 -14.959 1.00 42.55 C ATOM 10 C SER A 2 -4.634 -4.256 -14.537 1.00 52.44 C ATOM 11 O SER A 2 -5.685 -3.625 -14.643 1.00 74.51 O ATOM 12 CB SER A 2 -2.693 -2.867 -13.788 1.00 41.20 C ATOM 13 OG SER A 2 -3.527 -1.791 -13.394 1.00 70.10 O ATOM 0 H SER A 2 -4.277 -2.121 -16.031 1.00 53.03 H new ATOM 0 HA SER A 2 -2.628 -4.441 -15.250 1.00 42.55 H new ATOM 0 HB2 SER A 2 -2.541 -3.541 -12.945 1.00 41.20 H new ATOM 0 HB3 SER A 2 -1.712 -2.486 -14.072 1.00 41.20 H new ATOM 0 HG SER A 2 -3.114 -1.315 -12.643 1.00 70.10 H new ATOM 19 N ASN A 3 -4.578 -5.494 -14.059 1.00 31.25 N ATOM 20 CA ASN A 3 -5.777 -6.199 -13.620 1.00 73.35 C ATOM 21 C ASN A 3 -5.414 -7.432 -12.799 1.00 23.15 C ATOM 22 O ASN A 3 -4.685 -8.308 -13.264 1.00 53.44 O ATOM 23 CB ASN A 3 -6.623 -6.609 -14.828 1.00 0.10 C ATOM 24 CG ASN A 3 -5.775 -7.056 -16.003 1.00 41.31 C ATOM 25 OD1 ASN A 3 -5.146 -8.113 -15.962 1.00 63.03 O ATOM 26 ND2 ASN A 3 -5.754 -6.249 -17.058 1.00 72.40 N ATOM 0 H ASN A 3 -3.715 -6.030 -13.966 1.00 31.25 H new ATOM 0 HA ASN A 3 -6.356 -5.523 -12.991 1.00 73.35 H new ATOM 0 HB2 ASN A 3 -7.295 -7.418 -14.540 1.00 0.10 H new ATOM 0 HB3 ASN A 3 -7.247 -5.769 -15.133 1.00 0.10 H new ATOM 0 HD21 ASN A 3 -5.201 -6.496 -17.878 1.00 72.40 H new ATOM 0 HD22 ASN A 3 -6.291 -5.382 -17.048 1.00 72.40 H new ATOM 33 N GLU A 4 -5.927 -7.493 -11.574 1.00 11.33 N ATOM 34 CA GLU A 4 -5.656 -8.618 -10.687 1.00 61.23 C ATOM 35 C GLU A 4 -6.910 -9.464 -10.482 1.00 43.42 C ATOM 36 O GLU A 4 -7.629 -9.299 -9.497 1.00 32.32 O ATOM 37 CB GLU A 4 -5.137 -8.119 -9.337 1.00 35.21 C ATOM 38 CG GLU A 4 -5.947 -6.969 -8.761 1.00 61.34 C ATOM 39 CD GLU A 4 -5.435 -5.614 -9.209 1.00 1.00 C ATOM 40 OE1 GLU A 4 -4.293 -5.262 -8.847 1.00 41.44 O ATOM 41 OE2 GLU A 4 -6.177 -4.906 -9.922 1.00 10.14 O ATOM 0 H GLU A 4 -6.532 -6.776 -11.173 1.00 11.33 H new ATOM 0 HA GLU A 4 -4.892 -9.240 -11.154 1.00 61.23 H new ATOM 0 HB2 GLU A 4 -5.141 -8.946 -8.627 1.00 35.21 H new ATOM 0 HB3 GLU A 4 -4.101 -7.801 -9.451 1.00 35.21 H new ATOM 0 HG2 GLU A 4 -6.989 -7.077 -9.061 1.00 61.34 H new ATOM 0 HG3 GLU A 4 -5.922 -7.021 -7.673 1.00 61.34 H new ATOM 48 N LYS A 5 -7.166 -10.369 -11.420 1.00 44.05 N ATOM 49 CA LYS A 5 -8.331 -11.242 -11.345 1.00 11.24 C ATOM 50 C LYS A 5 -7.910 -12.698 -11.173 1.00 52.21 C ATOM 51 O LYS A 5 -7.598 -13.397 -12.138 1.00 10.45 O ATOM 52 CB LYS A 5 -9.188 -11.093 -12.603 1.00 54.55 C ATOM 53 CG LYS A 5 -10.022 -9.823 -12.625 1.00 33.25 C ATOM 54 CD LYS A 5 -9.259 -8.665 -13.246 1.00 35.14 C ATOM 55 CE LYS A 5 -10.185 -7.506 -13.585 1.00 24.42 C ATOM 56 NZ LYS A 5 -10.342 -6.568 -12.439 1.00 30.51 N ATOM 0 H LYS A 5 -6.581 -10.517 -12.242 1.00 44.05 H new ATOM 0 HA LYS A 5 -8.919 -10.947 -10.476 1.00 11.24 H new ATOM 0 HB2 LYS A 5 -8.539 -11.106 -13.478 1.00 54.55 H new ATOM 0 HB3 LYS A 5 -9.851 -11.954 -12.685 1.00 54.55 H new ATOM 0 HG2 LYS A 5 -10.939 -9.999 -13.187 1.00 33.25 H new ATOM 0 HG3 LYS A 5 -10.316 -9.562 -11.608 1.00 33.25 H new ATOM 0 HD2 LYS A 5 -8.486 -8.325 -12.556 1.00 35.14 H new ATOM 0 HD3 LYS A 5 -8.753 -9.004 -14.150 1.00 35.14 H new ATOM 0 HE2 LYS A 5 -9.790 -6.965 -14.445 1.00 24.42 H new ATOM 0 HE3 LYS A 5 -11.162 -7.894 -13.873 1.00 24.42 H new ATOM 0 HZ1 LYS A 5 -10.980 -5.793 -12.710 1.00 30.51 H new ATOM 0 HZ2 LYS A 5 -10.742 -7.078 -11.626 1.00 30.51 H new ATOM 0 HZ3 LYS A 5 -9.413 -6.178 -12.180 1.00 30.51 H new ATOM 70 N PRO A 6 -7.902 -13.168 -9.917 1.00 72.41 N ATOM 71 CA PRO A 6 -7.524 -14.546 -9.590 1.00 64.44 C ATOM 72 C PRO A 6 -8.558 -15.560 -10.068 1.00 25.31 C ATOM 73 O PRO A 6 -9.659 -15.193 -10.479 1.00 65.51 O ATOM 74 CB PRO A 6 -7.447 -14.540 -8.062 1.00 21.34 C ATOM 75 CG PRO A 6 -8.354 -13.436 -7.641 1.00 74.13 C ATOM 76 CD PRO A 6 -8.263 -12.392 -8.719 1.00 44.41 C ATOM 0 HA PRO A 6 -6.593 -14.839 -10.076 1.00 64.44 H new ATOM 0 HB2 PRO A 6 -7.767 -15.495 -7.646 1.00 21.34 H new ATOM 0 HB3 PRO A 6 -6.427 -14.368 -7.718 1.00 21.34 H new ATOM 0 HG2 PRO A 6 -9.378 -13.793 -7.529 1.00 74.13 H new ATOM 0 HG3 PRO A 6 -8.051 -13.028 -6.676 1.00 74.13 H new ATOM 0 HD2 PRO A 6 -9.209 -11.867 -8.851 1.00 44.41 H new ATOM 0 HD3 PRO A 6 -7.510 -11.639 -8.486 1.00 44.41 H new ATOM 84 N LYS A 7 -8.197 -16.838 -10.011 1.00 1.15 N ATOM 85 CA LYS A 7 -9.094 -17.906 -10.435 1.00 64.33 C ATOM 86 C LYS A 7 -9.882 -18.458 -9.252 1.00 11.34 C ATOM 87 O LYS A 7 -9.327 -19.127 -8.381 1.00 25.24 O ATOM 88 CB LYS A 7 -8.299 -19.032 -11.101 1.00 73.14 C ATOM 89 CG LYS A 7 -7.457 -18.569 -12.278 1.00 13.24 C ATOM 90 CD LYS A 7 -6.313 -19.529 -12.556 1.00 42.35 C ATOM 91 CE LYS A 7 -5.394 -18.999 -13.647 1.00 74.11 C ATOM 92 NZ LYS A 7 -6.096 -18.884 -14.956 1.00 21.14 N ATOM 0 H LYS A 7 -7.289 -17.159 -9.675 1.00 1.15 H new ATOM 0 HA LYS A 7 -9.799 -17.490 -11.155 1.00 64.33 H new ATOM 0 HB2 LYS A 7 -7.648 -19.494 -10.359 1.00 73.14 H new ATOM 0 HB3 LYS A 7 -8.991 -19.802 -11.441 1.00 73.14 H new ATOM 0 HG2 LYS A 7 -8.085 -18.483 -13.165 1.00 13.24 H new ATOM 0 HG3 LYS A 7 -7.058 -17.576 -12.073 1.00 13.24 H new ATOM 0 HD2 LYS A 7 -5.741 -19.689 -11.642 1.00 42.35 H new ATOM 0 HD3 LYS A 7 -6.714 -20.498 -12.855 1.00 42.35 H new ATOM 0 HE2 LYS A 7 -5.009 -18.022 -13.354 1.00 74.11 H new ATOM 0 HE3 LYS A 7 -4.535 -19.662 -13.752 1.00 74.11 H new ATOM 0 HZ1 LYS A 7 -5.413 -18.618 -15.694 1.00 21.14 H new ATOM 0 HZ2 LYS A 7 -6.529 -19.798 -15.199 1.00 21.14 H new ATOM 0 HZ3 LYS A 7 -6.836 -18.156 -14.890 1.00 21.14 H new ATOM 106 N VAL A 8 -11.180 -18.173 -9.227 1.00 33.10 N ATOM 107 CA VAL A 8 -12.046 -18.643 -8.152 1.00 4.24 C ATOM 108 C VAL A 8 -13.363 -19.180 -8.701 1.00 3.52 C ATOM 109 O VAL A 8 -13.833 -18.746 -9.753 1.00 5.21 O ATOM 110 CB VAL A 8 -12.343 -17.520 -7.140 1.00 33.31 C ATOM 111 CG1 VAL A 8 -13.205 -16.441 -7.778 1.00 21.14 C ATOM 112 CG2 VAL A 8 -13.016 -18.087 -5.899 1.00 0.03 C ATOM 0 H VAL A 8 -11.655 -17.619 -9.939 1.00 33.10 H new ATOM 0 HA VAL A 8 -11.513 -19.448 -7.645 1.00 4.24 H new ATOM 0 HB VAL A 8 -11.399 -17.066 -6.839 1.00 33.31 H new ATOM 0 HG11 VAL A 8 -13.405 -15.656 -7.048 1.00 21.14 H new ATOM 0 HG12 VAL A 8 -12.681 -16.016 -8.634 1.00 21.14 H new ATOM 0 HG13 VAL A 8 -14.148 -16.877 -8.109 1.00 21.14 H new ATOM 0 HG21 VAL A 8 -13.219 -17.280 -5.194 1.00 0.03 H new ATOM 0 HG22 VAL A 8 -13.953 -18.567 -6.181 1.00 0.03 H new ATOM 0 HG23 VAL A 8 -12.359 -18.820 -5.432 1.00 0.03 H new ATOM 122 N LYS A 9 -13.955 -20.126 -7.981 1.00 74.21 N ATOM 123 CA LYS A 9 -15.220 -20.723 -8.394 1.00 13.51 C ATOM 124 C LYS A 9 -16.314 -20.443 -7.368 1.00 21.31 C ATOM 125 O LYS A 9 -17.503 -20.530 -7.674 1.00 34.25 O ATOM 126 CB LYS A 9 -15.058 -22.232 -8.584 1.00 20.41 C ATOM 127 CG LYS A 9 -14.356 -22.919 -7.425 1.00 71.22 C ATOM 128 CD LYS A 9 -15.282 -23.084 -6.232 1.00 24.55 C ATOM 129 CE LYS A 9 -15.153 -24.468 -5.614 1.00 24.34 C ATOM 130 NZ LYS A 9 -16.399 -25.267 -5.776 1.00 13.52 N ATOM 0 H LYS A 9 -13.579 -20.496 -7.108 1.00 74.21 H new ATOM 0 HA LYS A 9 -15.512 -20.274 -9.343 1.00 13.51 H new ATOM 0 HB2 LYS A 9 -16.042 -22.680 -8.719 1.00 20.41 H new ATOM 0 HB3 LYS A 9 -14.495 -22.416 -9.499 1.00 20.41 H new ATOM 0 HG2 LYS A 9 -13.995 -23.897 -7.745 1.00 71.22 H new ATOM 0 HG3 LYS A 9 -13.482 -22.337 -7.131 1.00 71.22 H new ATOM 0 HD2 LYS A 9 -15.051 -22.327 -5.483 1.00 24.55 H new ATOM 0 HD3 LYS A 9 -16.313 -22.919 -6.545 1.00 24.55 H new ATOM 0 HE2 LYS A 9 -14.320 -24.996 -6.078 1.00 24.34 H new ATOM 0 HE3 LYS A 9 -14.919 -24.372 -4.554 1.00 24.34 H new ATOM 0 HZ1 LYS A 9 -16.356 -26.105 -5.162 1.00 13.52 H new ATOM 0 HZ2 LYS A 9 -17.221 -24.686 -5.512 1.00 13.52 H new ATOM 0 HZ3 LYS A 9 -16.492 -25.568 -6.767 1.00 13.52 H new ATOM 144 N LYS A 10 -15.904 -20.106 -6.150 1.00 21.22 N ATOM 145 CA LYS A 10 -16.848 -19.811 -5.079 1.00 30.04 C ATOM 146 C LYS A 10 -17.132 -18.314 -5.001 1.00 31.43 C ATOM 147 O LYS A 10 -18.270 -17.878 -5.178 1.00 61.22 O ATOM 148 CB LYS A 10 -16.302 -20.308 -3.738 1.00 43.31 C ATOM 149 CG LYS A 10 -17.222 -21.289 -3.032 1.00 44.22 C ATOM 150 CD LYS A 10 -17.341 -22.594 -3.802 1.00 2.35 C ATOM 151 CE LYS A 10 -18.407 -23.499 -3.202 1.00 45.53 C ATOM 152 NZ LYS A 10 -17.989 -24.049 -1.883 1.00 11.20 N ATOM 0 H LYS A 10 -14.923 -20.030 -5.880 1.00 21.22 H new ATOM 0 HA LYS A 10 -17.781 -20.329 -5.299 1.00 30.04 H new ATOM 0 HB2 LYS A 10 -15.335 -20.784 -3.903 1.00 43.31 H new ATOM 0 HB3 LYS A 10 -16.129 -19.452 -3.086 1.00 43.31 H new ATOM 0 HG2 LYS A 10 -16.842 -21.490 -2.030 1.00 44.22 H new ATOM 0 HG3 LYS A 10 -18.210 -20.843 -2.915 1.00 44.22 H new ATOM 0 HD2 LYS A 10 -17.585 -22.383 -4.843 1.00 2.35 H new ATOM 0 HD3 LYS A 10 -16.380 -23.109 -3.798 1.00 2.35 H new ATOM 0 HE2 LYS A 10 -19.335 -22.939 -3.084 1.00 45.53 H new ATOM 0 HE3 LYS A 10 -18.615 -24.320 -3.888 1.00 45.53 H new ATOM 0 HZ1 LYS A 10 -18.742 -24.660 -1.507 1.00 11.20 H new ATOM 0 HZ2 LYS A 10 -17.118 -24.605 -1.999 1.00 11.20 H new ATOM 0 HZ3 LYS A 10 -17.815 -23.267 -1.220 1.00 11.20 H new ATOM 166 N HIS A 11 -16.091 -17.532 -4.736 1.00 4.14 N ATOM 167 CA HIS A 11 -16.228 -16.083 -4.637 1.00 34.24 C ATOM 168 C HIS A 11 -16.928 -15.518 -5.869 1.00 62.53 C ATOM 169 O HIS A 11 -17.621 -14.504 -5.791 1.00 34.12 O ATOM 170 CB HIS A 11 -14.856 -15.429 -4.470 1.00 34.51 C ATOM 171 CG HIS A 11 -14.893 -13.934 -4.538 1.00 14.34 C ATOM 172 ND1 HIS A 11 -14.759 -13.230 -5.716 1.00 31.11 N ATOM 173 CD2 HIS A 11 -15.053 -13.007 -3.564 1.00 24.12 C ATOM 174 CE1 HIS A 11 -14.832 -11.935 -5.464 1.00 32.43 C ATOM 175 NE2 HIS A 11 -15.011 -11.773 -4.165 1.00 63.21 N ATOM 0 H HIS A 11 -15.143 -17.877 -4.586 1.00 4.14 H new ATOM 0 HA HIS A 11 -16.837 -15.860 -3.761 1.00 34.24 H new ATOM 0 HB2 HIS A 11 -14.433 -15.731 -3.512 1.00 34.51 H new ATOM 0 HB3 HIS A 11 -14.187 -15.803 -5.245 1.00 34.51 H new ATOM 0 HD2 HIS A 11 -15.188 -13.202 -2.510 1.00 24.12 H new ATOM 0 HE1 HIS A 11 -14.758 -11.144 -6.195 1.00 32.43 H new ATOM 0 HE2 HIS A 11 -15.103 -10.877 -3.686 1.00 63.21 H new ATOM 184 N ILE A 12 -16.740 -16.181 -7.006 1.00 31.14 N ATOM 185 CA ILE A 12 -17.353 -15.745 -8.254 1.00 13.11 C ATOM 186 C ILE A 12 -18.854 -15.531 -8.084 1.00 65.22 C ATOM 187 O ILE A 12 -19.453 -14.693 -8.758 1.00 73.04 O ATOM 188 CB ILE A 12 -17.116 -16.764 -9.384 1.00 21.00 C ATOM 189 CG1 ILE A 12 -17.527 -16.168 -10.732 1.00 65.32 C ATOM 190 CG2 ILE A 12 -17.885 -18.048 -9.110 1.00 0.33 C ATOM 191 CD1 ILE A 12 -16.653 -16.618 -11.883 1.00 13.14 C ATOM 0 H ILE A 12 -16.168 -17.022 -7.088 1.00 31.14 H new ATOM 0 HA ILE A 12 -16.882 -14.800 -8.524 1.00 13.11 H new ATOM 0 HB ILE A 12 -16.053 -17.002 -9.422 1.00 21.00 H new ATOM 0 HG12 ILE A 12 -18.561 -16.443 -10.942 1.00 65.32 H new ATOM 0 HG13 ILE A 12 -17.494 -15.081 -10.665 1.00 65.32 H new ATOM 0 HG21 ILE A 12 -17.707 -18.758 -9.918 1.00 0.33 H new ATOM 0 HG22 ILE A 12 -17.549 -18.479 -8.167 1.00 0.33 H new ATOM 0 HG23 ILE A 12 -18.951 -17.828 -9.049 1.00 0.33 H new ATOM 0 HD11 ILE A 12 -17.002 -16.157 -12.807 1.00 13.14 H new ATOM 0 HD12 ILE A 12 -15.622 -16.319 -11.695 1.00 13.14 H new ATOM 0 HD13 ILE A 12 -16.705 -17.703 -11.977 1.00 13.14 H new ATOM 203 N THR A 13 -19.456 -16.294 -7.177 1.00 23.00 N ATOM 204 CA THR A 13 -20.886 -16.188 -6.917 1.00 62.32 C ATOM 205 C THR A 13 -21.283 -14.750 -6.606 1.00 53.12 C ATOM 206 O THR A 13 -22.235 -14.221 -7.180 1.00 35.12 O ATOM 207 CB THR A 13 -21.312 -17.092 -5.745 1.00 11.33 C ATOM 208 OG1 THR A 13 -20.558 -16.762 -4.573 1.00 13.32 O ATOM 209 CG2 THR A 13 -21.107 -18.559 -6.090 1.00 4.05 C ATOM 0 H THR A 13 -18.975 -16.992 -6.610 1.00 23.00 H new ATOM 0 HA THR A 13 -21.397 -16.515 -7.822 1.00 62.32 H new ATOM 0 HB THR A 13 -22.372 -16.926 -5.554 1.00 11.33 H new ATOM 0 HG1 THR A 13 -19.602 -16.876 -4.756 1.00 13.32 H new ATOM 0 HG21 THR A 13 -21.415 -19.178 -5.247 1.00 4.05 H new ATOM 0 HG22 THR A 13 -21.705 -18.814 -6.965 1.00 4.05 H new ATOM 0 HG23 THR A 13 -20.054 -18.738 -6.306 1.00 4.05 H new ATOM 217 N SER A 14 -20.548 -14.121 -5.695 1.00 65.31 N ATOM 218 CA SER A 14 -20.826 -12.744 -5.306 1.00 3.14 C ATOM 219 C SER A 14 -20.525 -11.784 -6.452 1.00 43.34 C ATOM 220 O SER A 14 -21.340 -10.925 -6.788 1.00 2.04 O ATOM 221 CB SER A 14 -19.999 -12.362 -4.076 1.00 34.52 C ATOM 222 OG SER A 14 -20.367 -11.082 -3.592 1.00 25.33 O ATOM 0 H SER A 14 -19.755 -14.543 -5.212 1.00 65.31 H new ATOM 0 HA SER A 14 -21.885 -12.669 -5.061 1.00 3.14 H new ATOM 0 HB2 SER A 14 -20.142 -13.106 -3.292 1.00 34.52 H new ATOM 0 HB3 SER A 14 -18.939 -12.367 -4.330 1.00 34.52 H new ATOM 0 HG SER A 14 -19.837 -10.868 -2.796 1.00 25.33 H new ATOM 228 N ALA A 15 -19.347 -11.936 -7.050 1.00 34.31 N ATOM 229 CA ALA A 15 -18.938 -11.085 -8.160 1.00 72.22 C ATOM 230 C ALA A 15 -19.999 -11.064 -9.256 1.00 22.23 C ATOM 231 O ALA A 15 -20.310 -10.011 -9.813 1.00 12.54 O ATOM 232 CB ALA A 15 -17.605 -11.556 -8.723 1.00 11.24 C ATOM 0 H ALA A 15 -18.660 -12.641 -6.784 1.00 34.31 H new ATOM 0 HA ALA A 15 -18.822 -10.069 -7.783 1.00 72.22 H new ATOM 0 HB1 ALA A 15 -17.312 -10.911 -9.551 1.00 11.24 H new ATOM 0 HB2 ALA A 15 -16.845 -11.513 -7.943 1.00 11.24 H new ATOM 0 HB3 ALA A 15 -17.702 -12.582 -9.078 1.00 11.24 H new ATOM 238 N LEU A 16 -20.550 -12.234 -9.561 1.00 52.51 N ATOM 239 CA LEU A 16 -21.576 -12.350 -10.591 1.00 55.35 C ATOM 240 C LEU A 16 -22.888 -11.726 -10.126 1.00 35.30 C ATOM 241 O LEU A 16 -23.540 -10.994 -10.872 1.00 21.54 O ATOM 242 CB LEU A 16 -21.798 -13.819 -10.956 1.00 5.24 C ATOM 243 CG LEU A 16 -21.463 -14.211 -12.395 1.00 72.21 C ATOM 244 CD1 LEU A 16 -20.018 -13.868 -12.720 1.00 24.21 C ATOM 245 CD2 LEU A 16 -21.725 -15.694 -12.618 1.00 45.43 C ATOM 0 H LEU A 16 -20.303 -13.115 -9.110 1.00 52.51 H new ATOM 0 HA LEU A 16 -21.231 -11.811 -11.474 1.00 55.35 H new ATOM 0 HB2 LEU A 16 -21.199 -14.434 -10.284 1.00 5.24 H new ATOM 0 HB3 LEU A 16 -22.843 -14.066 -10.767 1.00 5.24 H new ATOM 0 HG LEU A 16 -22.108 -13.643 -13.065 1.00 72.21 H new ATOM 0 HD11 LEU A 16 -19.799 -14.154 -13.749 1.00 24.21 H new ATOM 0 HD12 LEU A 16 -19.863 -12.796 -12.601 1.00 24.21 H new ATOM 0 HD13 LEU A 16 -19.355 -14.408 -12.044 1.00 24.21 H new ATOM 0 HD21 LEU A 16 -21.481 -15.956 -13.648 1.00 45.43 H new ATOM 0 HD22 LEU A 16 -21.105 -16.279 -11.938 1.00 45.43 H new ATOM 0 HD23 LEU A 16 -22.776 -15.910 -12.428 1.00 45.43 H new ATOM 257 N LYS A 17 -23.270 -12.019 -8.887 1.00 71.45 N ATOM 258 CA LYS A 17 -24.502 -11.486 -8.319 1.00 54.45 C ATOM 259 C LYS A 17 -24.526 -9.963 -8.405 1.00 51.12 C ATOM 260 O LYS A 17 -25.580 -9.358 -8.605 1.00 63.21 O ATOM 261 CB LYS A 17 -24.649 -11.927 -6.862 1.00 35.33 C ATOM 262 CG LYS A 17 -25.936 -12.685 -6.583 1.00 21.14 C ATOM 263 CD LYS A 17 -25.742 -14.185 -6.726 1.00 62.34 C ATOM 264 CE LYS A 17 -26.671 -14.959 -5.804 1.00 12.44 C ATOM 265 NZ LYS A 17 -26.309 -14.776 -4.371 1.00 4.41 N ATOM 0 H LYS A 17 -22.743 -12.624 -8.257 1.00 71.45 H new ATOM 0 HA LYS A 17 -25.339 -11.879 -8.897 1.00 54.45 H new ATOM 0 HB2 LYS A 17 -23.801 -12.557 -6.594 1.00 35.33 H new ATOM 0 HB3 LYS A 17 -24.608 -11.048 -6.219 1.00 35.33 H new ATOM 0 HG2 LYS A 17 -26.283 -12.457 -5.575 1.00 21.14 H new ATOM 0 HG3 LYS A 17 -26.713 -12.350 -7.271 1.00 21.14 H new ATOM 0 HD2 LYS A 17 -25.925 -14.479 -7.759 1.00 62.34 H new ATOM 0 HD3 LYS A 17 -24.707 -14.442 -6.500 1.00 62.34 H new ATOM 0 HE2 LYS A 17 -27.698 -14.630 -5.964 1.00 12.44 H new ATOM 0 HE3 LYS A 17 -26.632 -16.019 -6.056 1.00 12.44 H new ATOM 0 HZ1 LYS A 17 -26.674 -15.576 -3.816 1.00 4.41 H new ATOM 0 HZ2 LYS A 17 -25.274 -14.733 -4.277 1.00 4.41 H new ATOM 0 HZ3 LYS A 17 -26.726 -13.891 -4.018 1.00 4.41 H new ATOM 279 N LYS A 18 -23.358 -9.348 -8.254 1.00 61.12 N ATOM 280 CA LYS A 18 -23.243 -7.896 -8.317 1.00 52.12 C ATOM 281 C LYS A 18 -23.264 -7.411 -9.763 1.00 54.31 C ATOM 282 O LYS A 18 -23.796 -6.341 -10.062 1.00 14.41 O ATOM 283 CB LYS A 18 -21.954 -7.435 -7.632 1.00 75.33 C ATOM 284 CG LYS A 18 -21.894 -7.782 -6.155 1.00 4.33 C ATOM 285 CD LYS A 18 -20.467 -8.046 -5.702 1.00 74.12 C ATOM 286 CE LYS A 18 -20.360 -8.074 -4.185 1.00 50.12 C ATOM 287 NZ LYS A 18 -18.968 -8.347 -3.733 1.00 21.34 N ATOM 0 H LYS A 18 -22.477 -9.833 -8.087 1.00 61.12 H new ATOM 0 HA LYS A 18 -24.098 -7.466 -7.795 1.00 52.12 H new ATOM 0 HB2 LYS A 18 -21.101 -7.888 -8.138 1.00 75.33 H new ATOM 0 HB3 LYS A 18 -21.857 -6.355 -7.747 1.00 75.33 H new ATOM 0 HG2 LYS A 18 -22.317 -6.965 -5.571 1.00 4.33 H new ATOM 0 HG3 LYS A 18 -22.507 -8.662 -5.962 1.00 4.33 H new ATOM 0 HD2 LYS A 18 -20.125 -8.997 -6.110 1.00 74.12 H new ATOM 0 HD3 LYS A 18 -19.809 -7.274 -6.100 1.00 74.12 H new ATOM 0 HE2 LYS A 18 -20.693 -7.118 -3.780 1.00 50.12 H new ATOM 0 HE3 LYS A 18 -21.028 -8.839 -3.788 1.00 50.12 H new ATOM 0 HZ1 LYS A 18 -18.814 -7.912 -2.801 1.00 21.34 H new ATOM 0 HZ2 LYS A 18 -18.820 -9.374 -3.665 1.00 21.34 H new ATOM 0 HZ3 LYS A 18 -18.296 -7.945 -4.417 1.00 21.34 H new ATOM 301 N LEU A 19 -22.684 -8.204 -10.657 1.00 13.10 N ATOM 302 CA LEU A 19 -22.638 -7.856 -12.073 1.00 10.31 C ATOM 303 C LEU A 19 -24.044 -7.659 -12.632 1.00 23.24 C ATOM 304 O LEU A 19 -24.348 -6.624 -13.225 1.00 34.52 O ATOM 305 CB LEU A 19 -21.911 -8.945 -12.863 1.00 23.33 C ATOM 306 CG LEU A 19 -20.435 -8.683 -13.165 1.00 22.31 C ATOM 307 CD1 LEU A 19 -19.702 -9.991 -13.423 1.00 35.05 C ATOM 308 CD2 LEU A 19 -20.292 -7.747 -14.356 1.00 14.44 C ATOM 0 H LEU A 19 -22.239 -9.092 -10.427 1.00 13.10 H new ATOM 0 HA LEU A 19 -22.092 -6.918 -12.173 1.00 10.31 H new ATOM 0 HB2 LEU A 19 -21.987 -9.880 -12.309 1.00 23.33 H new ATOM 0 HB3 LEU A 19 -22.434 -9.091 -13.808 1.00 23.33 H new ATOM 0 HG LEU A 19 -19.986 -8.204 -12.295 1.00 22.31 H new ATOM 0 HD11 LEU A 19 -18.653 -9.784 -13.636 1.00 35.05 H new ATOM 0 HD12 LEU A 19 -19.775 -10.629 -12.542 1.00 35.05 H new ATOM 0 HD13 LEU A 19 -20.152 -10.498 -14.276 1.00 35.05 H new ATOM 0 HD21 LEU A 19 -19.235 -7.572 -14.556 1.00 14.44 H new ATOM 0 HD22 LEU A 19 -20.757 -8.199 -15.232 1.00 14.44 H new ATOM 0 HD23 LEU A 19 -20.781 -6.799 -14.134 1.00 14.44 H new ATOM 320 N VAL A 20 -24.898 -8.659 -12.436 1.00 42.10 N ATOM 321 CA VAL A 20 -26.273 -8.595 -12.917 1.00 44.02 C ATOM 322 C VAL A 20 -27.031 -7.445 -12.263 1.00 62.33 C ATOM 323 O VAL A 20 -27.968 -6.897 -12.843 1.00 40.34 O ATOM 324 CB VAL A 20 -27.024 -9.912 -12.645 1.00 53.42 C ATOM 325 CG1 VAL A 20 -27.253 -10.098 -11.153 1.00 1.40 C ATOM 326 CG2 VAL A 20 -28.343 -9.938 -13.402 1.00 54.34 C ATOM 0 H VAL A 20 -24.662 -9.523 -11.948 1.00 42.10 H new ATOM 0 HA VAL A 20 -26.225 -8.429 -13.993 1.00 44.02 H new ATOM 0 HB VAL A 20 -26.411 -10.740 -13.000 1.00 53.42 H new ATOM 0 HG11 VAL A 20 -27.785 -11.034 -10.980 1.00 1.40 H new ATOM 0 HG12 VAL A 20 -26.293 -10.126 -10.638 1.00 1.40 H new ATOM 0 HG13 VAL A 20 -27.846 -9.268 -10.770 1.00 1.40 H new ATOM 0 HG21 VAL A 20 -28.861 -10.875 -13.199 1.00 54.34 H new ATOM 0 HG22 VAL A 20 -28.964 -9.103 -13.079 1.00 54.34 H new ATOM 0 HG23 VAL A 20 -28.150 -9.855 -14.472 1.00 54.34 H new ATOM 336 N ASP A 21 -26.619 -7.085 -11.053 1.00 21.12 N ATOM 337 CA ASP A 21 -27.258 -5.999 -10.320 1.00 11.35 C ATOM 338 C ASP A 21 -26.780 -4.643 -10.830 1.00 71.14 C ATOM 339 O ASP A 21 -27.533 -3.669 -10.836 1.00 3.33 O ATOM 340 CB ASP A 21 -26.968 -6.125 -8.823 1.00 41.11 C ATOM 341 CG ASP A 21 -27.364 -4.882 -8.050 1.00 23.42 C ATOM 342 OD1 ASP A 21 -28.526 -4.809 -7.600 1.00 20.54 O ATOM 343 OD2 ASP A 21 -26.511 -3.982 -7.896 1.00 33.54 O ATOM 0 H ASP A 21 -25.845 -7.529 -10.559 1.00 21.12 H new ATOM 0 HA ASP A 21 -28.334 -6.069 -10.481 1.00 11.35 H new ATOM 0 HB2 ASP A 21 -27.505 -6.985 -8.423 1.00 41.11 H new ATOM 0 HB3 ASP A 21 -25.905 -6.317 -8.677 1.00 41.11 H new ATOM 348 N LYS A 22 -25.524 -4.588 -11.259 1.00 4.43 N ATOM 349 CA LYS A 22 -24.944 -3.352 -11.772 1.00 64.30 C ATOM 350 C LYS A 22 -24.867 -3.379 -13.295 1.00 53.12 C ATOM 351 O LYS A 22 -24.020 -2.717 -13.896 1.00 13.04 O ATOM 352 CB LYS A 22 -23.547 -3.138 -11.185 1.00 2.35 C ATOM 353 CG LYS A 22 -23.529 -3.070 -9.667 1.00 50.03 C ATOM 354 CD LYS A 22 -22.213 -3.577 -9.102 1.00 1.11 C ATOM 355 CE LYS A 22 -21.104 -2.549 -9.264 1.00 2.21 C ATOM 356 NZ LYS A 22 -19.992 -2.775 -8.299 1.00 15.11 N ATOM 0 H LYS A 22 -24.888 -5.385 -11.262 1.00 4.43 H new ATOM 0 HA LYS A 22 -25.588 -2.526 -11.472 1.00 64.30 H new ATOM 0 HB2 LYS A 22 -22.897 -3.949 -11.512 1.00 2.35 H new ATOM 0 HB3 LYS A 22 -23.131 -2.214 -11.587 1.00 2.35 H new ATOM 0 HG2 LYS A 22 -23.692 -2.041 -9.346 1.00 50.03 H new ATOM 0 HG3 LYS A 22 -24.351 -3.663 -9.266 1.00 50.03 H new ATOM 0 HD2 LYS A 22 -22.337 -3.816 -8.046 1.00 1.11 H new ATOM 0 HD3 LYS A 22 -21.931 -4.501 -9.607 1.00 1.11 H new ATOM 0 HE2 LYS A 22 -20.716 -2.591 -10.282 1.00 2.21 H new ATOM 0 HE3 LYS A 22 -21.512 -1.549 -9.120 1.00 2.21 H new ATOM 0 HZ1 LYS A 22 -19.256 -2.054 -8.442 1.00 15.11 H new ATOM 0 HZ2 LYS A 22 -20.357 -2.710 -7.327 1.00 15.11 H new ATOM 0 HZ3 LYS A 22 -19.585 -3.720 -8.453 1.00 15.11 H new ATOM 370 N TYR A 23 -25.758 -4.146 -13.914 1.00 64.12 N ATOM 371 CA TYR A 23 -25.790 -4.259 -15.367 1.00 71.25 C ATOM 372 C TYR A 23 -26.102 -2.912 -16.012 1.00 12.01 C ATOM 373 O TYR A 23 -25.466 -2.516 -16.989 1.00 23.24 O ATOM 374 CB TYR A 23 -26.831 -5.295 -15.796 1.00 65.32 C ATOM 375 CG TYR A 23 -26.879 -5.522 -17.290 1.00 61.53 C ATOM 376 CD1 TYR A 23 -26.078 -6.484 -17.893 1.00 62.21 C ATOM 377 CD2 TYR A 23 -27.727 -4.776 -18.099 1.00 2.40 C ATOM 378 CE1 TYR A 23 -26.118 -6.694 -19.258 1.00 33.42 C ATOM 379 CE2 TYR A 23 -27.775 -4.980 -19.464 1.00 51.05 C ATOM 380 CZ TYR A 23 -26.969 -5.940 -20.039 1.00 64.11 C ATOM 381 OH TYR A 23 -27.013 -6.147 -21.399 1.00 21.42 O ATOM 0 H TYR A 23 -26.467 -4.698 -13.432 1.00 64.12 H new ATOM 0 HA TYR A 23 -24.805 -4.582 -15.702 1.00 71.25 H new ATOM 0 HB2 TYR A 23 -26.615 -6.241 -15.300 1.00 65.32 H new ATOM 0 HB3 TYR A 23 -27.815 -4.973 -15.454 1.00 65.32 H new ATOM 0 HD1 TYR A 23 -25.413 -7.078 -17.284 1.00 62.21 H new ATOM 0 HD2 TYR A 23 -28.360 -4.023 -17.653 1.00 2.40 H new ATOM 0 HE1 TYR A 23 -25.487 -7.444 -19.711 1.00 33.42 H new ATOM 0 HE2 TYR A 23 -28.440 -4.391 -20.078 1.00 51.05 H new ATOM 0 HH TYR A 23 -27.664 -5.535 -21.802 1.00 21.42 H new ATOM 391 N ARG A 24 -27.086 -2.212 -15.457 1.00 52.11 N ATOM 392 CA ARG A 24 -27.484 -0.909 -15.977 1.00 32.22 C ATOM 393 C ARG A 24 -26.727 0.212 -15.272 1.00 5.13 C ATOM 394 O ARG A 24 -27.082 1.384 -15.389 1.00 62.13 O ATOM 395 CB ARG A 24 -28.991 -0.707 -15.806 1.00 41.00 C ATOM 396 CG ARG A 24 -29.826 -1.449 -16.837 1.00 23.01 C ATOM 397 CD ARG A 24 -31.189 -1.830 -16.280 1.00 42.45 C ATOM 398 NE ARG A 24 -32.135 -2.174 -17.338 1.00 60.32 N ATOM 399 CZ ARG A 24 -32.721 -1.276 -18.121 1.00 52.24 C ATOM 400 NH1 ARG A 24 -32.459 0.015 -17.967 1.00 34.33 N ATOM 401 NH2 ARG A 24 -33.571 -1.668 -19.062 1.00 50.42 N ATOM 0 H ARG A 24 -27.622 -2.525 -14.648 1.00 52.11 H new ATOM 0 HA ARG A 24 -27.238 -0.879 -17.038 1.00 32.22 H new ATOM 0 HB2 ARG A 24 -29.282 -1.037 -14.809 1.00 41.00 H new ATOM 0 HB3 ARG A 24 -29.216 0.358 -15.867 1.00 41.00 H new ATOM 0 HG2 ARG A 24 -29.955 -0.824 -17.721 1.00 23.01 H new ATOM 0 HG3 ARG A 24 -29.298 -2.348 -17.156 1.00 23.01 H new ATOM 0 HD2 ARG A 24 -31.080 -2.676 -15.602 1.00 42.45 H new ATOM 0 HD3 ARG A 24 -31.586 -1.001 -15.694 1.00 42.45 H new ATOM 0 HE ARG A 24 -32.358 -3.159 -17.484 1.00 60.32 H new ATOM 0 HH11 ARG A 24 -31.806 0.320 -17.246 1.00 34.33 H new ATOM 0 HH12 ARG A 24 -32.911 0.703 -18.570 1.00 34.33 H new ATOM 0 HH21 ARG A 24 -33.775 -2.660 -19.184 1.00 50.42 H new ATOM 0 HH22 ARG A 24 -34.021 -0.977 -19.663 1.00 50.42 H new ATOM 415 N ASN A 25 -25.681 -0.157 -14.539 1.00 31.04 N ATOM 416 CA ASN A 25 -24.874 0.817 -13.814 1.00 2.44 C ATOM 417 C ASN A 25 -23.580 1.118 -14.564 1.00 50.10 C ATOM 418 O ASN A 25 -23.124 2.261 -14.603 1.00 11.13 O ATOM 419 CB ASN A 25 -24.554 0.302 -12.409 1.00 61.41 C ATOM 420 CG ASN A 25 -25.732 0.432 -11.463 1.00 60.31 C ATOM 421 OD1 ASN A 25 -26.905 0.006 -11.917 1.00 43.04 O flip ATOM 422 ND2 ASN A 25 -25.589 0.909 -10.337 1.00 60.12 N flip ATOM 0 H ASN A 25 -25.373 -1.123 -14.432 1.00 31.04 H new ATOM 0 HA ASN A 25 -25.449 1.739 -13.733 1.00 2.44 H new ATOM 0 HB2 ASN A 25 -24.253 -0.744 -12.468 1.00 61.41 H new ATOM 0 HB3 ASN A 25 -23.706 0.856 -12.007 1.00 61.41 H new ATOM 0 HD21 ASN A 25 -24.669 1.224 -10.030 1.00 60.12 H new ATOM 0 HD22 ASN A 25 -26.391 0.989 -9.712 1.00 60.12 H new ATOM 429 N ASP A 26 -22.994 0.085 -15.159 1.00 51.11 N ATOM 430 CA ASP A 26 -21.754 0.238 -15.910 1.00 44.23 C ATOM 431 C ASP A 26 -21.950 -0.158 -17.370 1.00 61.23 C ATOM 432 O ASP A 26 -22.514 -1.211 -17.667 1.00 12.35 O ATOM 433 CB ASP A 26 -20.645 -0.609 -15.284 1.00 10.14 C ATOM 434 CG ASP A 26 -19.702 0.213 -14.427 1.00 40.34 C ATOM 435 OD1 ASP A 26 -20.179 1.143 -13.743 1.00 33.42 O ATOM 436 OD2 ASP A 26 -18.487 -0.073 -14.441 1.00 63.02 O ATOM 0 H ASP A 26 -23.358 -0.868 -15.136 1.00 51.11 H new ATOM 0 HA ASP A 26 -21.464 1.288 -15.873 1.00 44.23 H new ATOM 0 HB2 ASP A 26 -21.092 -1.395 -14.676 1.00 10.14 H new ATOM 0 HB3 ASP A 26 -20.078 -1.101 -16.074 1.00 10.14 H new ATOM 441 N GLU A 27 -21.481 0.693 -18.278 1.00 32.04 N ATOM 442 CA GLU A 27 -21.608 0.431 -19.707 1.00 4.45 C ATOM 443 C GLU A 27 -20.794 -0.795 -20.109 1.00 62.03 C ATOM 444 O GLU A 27 -21.240 -1.613 -20.914 1.00 71.31 O ATOM 445 CB GLU A 27 -21.149 1.648 -20.513 1.00 13.42 C ATOM 446 CG GLU A 27 -19.716 2.064 -20.227 1.00 21.54 C ATOM 447 CD GLU A 27 -19.354 3.390 -20.866 1.00 11.24 C ATOM 448 OE1 GLU A 27 -20.172 3.912 -21.653 1.00 21.45 O ATOM 449 OE2 GLU A 27 -18.254 3.907 -20.579 1.00 70.13 O ATOM 0 H GLU A 27 -21.010 1.569 -18.049 1.00 32.04 H new ATOM 0 HA GLU A 27 -22.658 0.236 -19.923 1.00 4.45 H new ATOM 0 HB2 GLU A 27 -21.249 1.428 -21.576 1.00 13.42 H new ATOM 0 HB3 GLU A 27 -21.811 2.486 -20.298 1.00 13.42 H new ATOM 0 HG2 GLU A 27 -19.570 2.133 -19.149 1.00 21.54 H new ATOM 0 HG3 GLU A 27 -19.038 1.292 -20.592 1.00 21.54 H new ATOM 456 N HIS A 28 -19.597 -0.915 -19.544 1.00 64.31 N ATOM 457 CA HIS A 28 -18.719 -2.042 -19.844 1.00 15.44 C ATOM 458 C HIS A 28 -19.339 -3.353 -19.371 1.00 23.34 C ATOM 459 O HIS A 28 -19.259 -4.372 -20.057 1.00 22.45 O ATOM 460 CB HIS A 28 -17.355 -1.842 -19.184 1.00 45.54 C ATOM 461 CG HIS A 28 -16.431 -0.966 -19.974 1.00 24.11 C ATOM 462 ND1 HIS A 28 -15.095 -0.811 -19.667 1.00 71.53 N ATOM 463 CD2 HIS A 28 -16.656 -0.197 -21.065 1.00 32.22 C ATOM 464 CE1 HIS A 28 -14.540 0.016 -20.534 1.00 44.04 C ATOM 465 NE2 HIS A 28 -15.465 0.403 -21.393 1.00 75.33 N ATOM 0 H HIS A 28 -19.212 -0.247 -18.876 1.00 64.31 H new ATOM 0 HA HIS A 28 -18.587 -2.092 -20.925 1.00 15.44 H new ATOM 0 HB2 HIS A 28 -17.499 -1.406 -18.195 1.00 45.54 H new ATOM 0 HB3 HIS A 28 -16.885 -2.814 -19.038 1.00 45.54 H new ATOM 0 HD2 HIS A 28 -17.597 -0.078 -21.581 1.00 32.22 H new ATOM 0 HE1 HIS A 28 -13.505 0.324 -20.540 1.00 44.04 H new ATOM 0 HE2 HIS A 28 -15.319 1.043 -22.173 1.00 75.33 H new ATOM 474 N VAL A 29 -19.955 -3.320 -18.193 1.00 75.45 N ATOM 475 CA VAL A 29 -20.589 -4.506 -17.629 1.00 24.23 C ATOM 476 C VAL A 29 -21.659 -5.056 -18.564 1.00 55.24 C ATOM 477 O VAL A 29 -21.877 -6.266 -18.633 1.00 2.41 O ATOM 478 CB VAL A 29 -21.225 -4.204 -16.259 1.00 60.20 C ATOM 479 CG1 VAL A 29 -21.980 -5.419 -15.741 1.00 64.12 C ATOM 480 CG2 VAL A 29 -20.162 -3.762 -15.264 1.00 74.41 C ATOM 0 H VAL A 29 -20.028 -2.485 -17.611 1.00 75.45 H new ATOM 0 HA VAL A 29 -19.805 -5.253 -17.501 1.00 24.23 H new ATOM 0 HB VAL A 29 -21.938 -3.388 -16.381 1.00 60.20 H new ATOM 0 HG11 VAL A 29 -22.422 -5.187 -14.772 1.00 64.12 H new ATOM 0 HG12 VAL A 29 -22.768 -5.685 -16.445 1.00 64.12 H new ATOM 0 HG13 VAL A 29 -21.291 -6.257 -15.634 1.00 64.12 H new ATOM 0 HG21 VAL A 29 -20.629 -3.553 -14.302 1.00 74.41 H new ATOM 0 HG22 VAL A 29 -19.424 -4.555 -15.144 1.00 74.41 H new ATOM 0 HG23 VAL A 29 -19.671 -2.861 -15.632 1.00 74.41 H new ATOM 490 N ARG A 30 -22.326 -4.159 -19.284 1.00 3.31 N ATOM 491 CA ARG A 30 -23.375 -4.554 -20.216 1.00 11.33 C ATOM 492 C ARG A 30 -22.809 -5.423 -21.335 1.00 53.53 C ATOM 493 O ARG A 30 -23.286 -6.532 -21.577 1.00 13.51 O ATOM 494 CB ARG A 30 -24.052 -3.317 -20.808 1.00 53.44 C ATOM 495 CG ARG A 30 -24.985 -2.609 -19.839 1.00 22.34 C ATOM 496 CD ARG A 30 -26.053 -1.814 -20.573 1.00 2.33 C ATOM 497 NE ARG A 30 -25.919 -0.377 -20.345 1.00 20.44 N ATOM 498 CZ ARG A 30 -25.057 0.393 -20.999 1.00 14.42 C ATOM 499 NH1 ARG A 30 -24.258 -0.131 -21.917 1.00 22.40 N ATOM 500 NH2 ARG A 30 -24.995 1.692 -20.735 1.00 43.42 N ATOM 0 H ARG A 30 -22.158 -3.154 -19.239 1.00 3.31 H new ATOM 0 HA ARG A 30 -24.115 -5.136 -19.667 1.00 11.33 H new ATOM 0 HB2 ARG A 30 -23.285 -2.616 -21.137 1.00 53.44 H new ATOM 0 HB3 ARG A 30 -24.616 -3.611 -21.693 1.00 53.44 H new ATOM 0 HG2 ARG A 30 -25.460 -3.343 -19.188 1.00 22.34 H new ATOM 0 HG3 ARG A 30 -24.408 -1.941 -19.199 1.00 22.34 H new ATOM 0 HD2 ARG A 30 -25.988 -2.019 -21.642 1.00 2.33 H new ATOM 0 HD3 ARG A 30 -27.039 -2.143 -20.245 1.00 2.33 H new ATOM 0 HE ARG A 30 -26.520 0.058 -19.645 1.00 20.44 H new ATOM 0 HH11 ARG A 30 -24.304 -1.129 -22.123 1.00 22.40 H new ATOM 0 HH12 ARG A 30 -23.597 0.463 -22.417 1.00 22.40 H new ATOM 0 HH21 ARG A 30 -25.609 2.099 -20.030 1.00 43.42 H new ATOM 0 HH22 ARG A 30 -24.333 2.283 -21.237 1.00 43.42 H new ATOM 514 N LYS A 31 -21.790 -4.911 -22.016 1.00 43.24 N ATOM 515 CA LYS A 31 -21.157 -5.639 -23.110 1.00 53.31 C ATOM 516 C LYS A 31 -20.388 -6.847 -22.586 1.00 61.23 C ATOM 517 O LYS A 31 -20.310 -7.881 -23.250 1.00 34.55 O ATOM 518 CB LYS A 31 -20.213 -4.717 -23.885 1.00 54.32 C ATOM 519 CG LYS A 31 -18.888 -4.475 -23.184 1.00 41.41 C ATOM 520 CD LYS A 31 -17.956 -3.624 -24.031 1.00 71.42 C ATOM 521 CE LYS A 31 -16.497 -3.961 -23.764 1.00 71.54 C ATOM 522 NZ LYS A 31 -16.090 -3.603 -22.377 1.00 63.45 N ATOM 0 H LYS A 31 -21.384 -3.994 -21.830 1.00 43.24 H new ATOM 0 HA LYS A 31 -21.941 -5.992 -23.780 1.00 53.31 H new ATOM 0 HB2 LYS A 31 -20.021 -5.150 -24.867 1.00 54.32 H new ATOM 0 HB3 LYS A 31 -20.708 -3.760 -24.049 1.00 54.32 H new ATOM 0 HG2 LYS A 31 -19.066 -3.981 -22.229 1.00 41.41 H new ATOM 0 HG3 LYS A 31 -18.411 -5.430 -22.965 1.00 41.41 H new ATOM 0 HD2 LYS A 31 -18.179 -3.779 -25.087 1.00 71.42 H new ATOM 0 HD3 LYS A 31 -18.132 -2.569 -23.819 1.00 71.42 H new ATOM 0 HE2 LYS A 31 -16.335 -5.027 -23.926 1.00 71.54 H new ATOM 0 HE3 LYS A 31 -15.865 -3.430 -24.476 1.00 71.54 H new ATOM 0 HZ1 LYS A 31 -15.066 -3.423 -22.351 1.00 63.45 H new ATOM 0 HZ2 LYS A 31 -16.599 -2.748 -22.076 1.00 63.45 H new ATOM 0 HZ3 LYS A 31 -16.320 -4.388 -21.734 1.00 63.45 H new ATOM 536 N VAL A 32 -19.822 -6.710 -21.392 1.00 25.14 N ATOM 537 CA VAL A 32 -19.061 -7.792 -20.778 1.00 5.34 C ATOM 538 C VAL A 32 -19.968 -8.958 -20.403 1.00 22.11 C ATOM 539 O VAL A 32 -19.740 -10.094 -20.819 1.00 22.45 O ATOM 540 CB VAL A 32 -18.316 -7.310 -19.518 1.00 41.45 C ATOM 541 CG1 VAL A 32 -17.766 -8.493 -18.737 1.00 60.22 C ATOM 542 CG2 VAL A 32 -17.202 -6.345 -19.895 1.00 63.05 C ATOM 0 H VAL A 32 -19.876 -5.860 -20.830 1.00 25.14 H new ATOM 0 HA VAL A 32 -18.332 -8.125 -21.517 1.00 5.34 H new ATOM 0 HB VAL A 32 -19.023 -6.781 -18.879 1.00 41.45 H new ATOM 0 HG11 VAL A 32 -17.243 -8.133 -17.851 1.00 60.22 H new ATOM 0 HG12 VAL A 32 -18.587 -9.143 -18.435 1.00 60.22 H new ATOM 0 HG13 VAL A 32 -17.073 -9.053 -19.365 1.00 60.22 H new ATOM 0 HG21 VAL A 32 -16.686 -6.014 -18.993 1.00 63.05 H new ATOM 0 HG22 VAL A 32 -16.494 -6.846 -20.555 1.00 63.05 H new ATOM 0 HG23 VAL A 32 -17.626 -5.482 -20.407 1.00 63.05 H new ATOM 552 N PHE A 33 -20.998 -8.670 -19.615 1.00 53.40 N ATOM 553 CA PHE A 33 -21.941 -9.695 -19.183 1.00 50.11 C ATOM 554 C PHE A 33 -22.726 -10.246 -20.370 1.00 31.43 C ATOM 555 O PHE A 33 -23.146 -11.404 -20.366 1.00 44.12 O ATOM 556 CB PHE A 33 -22.905 -9.125 -18.140 1.00 64.01 C ATOM 557 CG PHE A 33 -23.253 -10.098 -17.051 1.00 21.44 C ATOM 558 CD1 PHE A 33 -22.325 -10.430 -16.077 1.00 5.11 C ATOM 559 CD2 PHE A 33 -24.509 -10.682 -17.000 1.00 2.53 C ATOM 560 CE1 PHE A 33 -22.642 -11.326 -15.074 1.00 13.02 C ATOM 561 CE2 PHE A 33 -24.832 -11.578 -15.999 1.00 14.03 C ATOM 562 CZ PHE A 33 -23.898 -11.900 -15.034 1.00 11.21 C ATOM 0 H PHE A 33 -21.201 -7.735 -19.262 1.00 53.40 H new ATOM 0 HA PHE A 33 -21.373 -10.510 -18.735 1.00 50.11 H new ATOM 0 HB2 PHE A 33 -22.460 -8.236 -17.693 1.00 64.01 H new ATOM 0 HB3 PHE A 33 -23.821 -8.807 -18.639 1.00 64.01 H new ATOM 0 HD1 PHE A 33 -21.342 -9.983 -16.102 1.00 5.11 H new ATOM 0 HD2 PHE A 33 -25.244 -10.434 -17.752 1.00 2.53 H new ATOM 0 HE1 PHE A 33 -21.909 -11.577 -14.322 1.00 13.02 H new ATOM 0 HE2 PHE A 33 -25.814 -12.026 -15.971 1.00 14.03 H new ATOM 0 HZ PHE A 33 -24.149 -12.599 -14.250 1.00 11.21 H new ATOM 572 N ASP A 34 -22.921 -9.409 -21.383 1.00 31.44 N ATOM 573 CA ASP A 34 -23.655 -9.812 -22.577 1.00 12.13 C ATOM 574 C ASP A 34 -22.918 -10.922 -23.319 1.00 72.21 C ATOM 575 O ASP A 34 -23.513 -11.932 -23.693 1.00 74.11 O ATOM 576 CB ASP A 34 -23.862 -8.612 -23.503 1.00 30.33 C ATOM 577 CG ASP A 34 -24.535 -8.996 -24.806 1.00 24.20 C ATOM 578 OD1 ASP A 34 -23.893 -9.689 -25.623 1.00 2.02 O ATOM 579 OD2 ASP A 34 -25.703 -8.603 -25.010 1.00 24.24 O ATOM 0 H ASP A 34 -22.581 -8.447 -21.401 1.00 31.44 H new ATOM 0 HA ASP A 34 -24.628 -10.192 -22.265 1.00 12.13 H new ATOM 0 HB2 ASP A 34 -24.467 -7.863 -22.992 1.00 30.33 H new ATOM 0 HB3 ASP A 34 -22.898 -8.151 -23.717 1.00 30.33 H new ATOM 584 N GLU A 35 -21.620 -10.726 -23.529 1.00 72.43 N ATOM 585 CA GLU A 35 -20.803 -11.711 -24.229 1.00 34.00 C ATOM 586 C GLU A 35 -20.679 -12.994 -23.412 1.00 70.02 C ATOM 587 O GLU A 35 -20.702 -14.096 -23.961 1.00 63.11 O ATOM 588 CB GLU A 35 -19.413 -11.141 -24.518 1.00 12.53 C ATOM 589 CG GLU A 35 -19.401 -10.098 -25.623 1.00 63.22 C ATOM 590 CD GLU A 35 -18.002 -9.616 -25.954 1.00 43.41 C ATOM 591 OE1 GLU A 35 -17.333 -9.070 -25.052 1.00 23.21 O ATOM 592 OE2 GLU A 35 -17.576 -9.784 -27.116 1.00 72.02 O ATOM 0 H GLU A 35 -21.112 -9.895 -23.225 1.00 72.43 H new ATOM 0 HA GLU A 35 -21.294 -11.948 -25.173 1.00 34.00 H new ATOM 0 HB2 GLU A 35 -19.015 -10.696 -23.606 1.00 12.53 H new ATOM 0 HB3 GLU A 35 -18.745 -11.957 -24.793 1.00 12.53 H new ATOM 0 HG2 GLU A 35 -19.858 -10.518 -26.519 1.00 63.22 H new ATOM 0 HG3 GLU A 35 -20.013 -9.248 -25.322 1.00 63.22 H new ATOM 599 N ILE A 36 -20.547 -12.842 -22.099 1.00 12.21 N ATOM 600 CA ILE A 36 -20.420 -13.987 -21.207 1.00 22.34 C ATOM 601 C ILE A 36 -21.706 -14.806 -21.176 1.00 63.34 C ATOM 602 O ILE A 36 -21.672 -16.034 -21.254 1.00 33.15 O ATOM 603 CB ILE A 36 -20.071 -13.548 -19.772 1.00 43.44 C ATOM 604 CG1 ILE A 36 -18.756 -12.765 -19.761 1.00 52.34 C ATOM 605 CG2 ILE A 36 -19.981 -14.758 -18.855 1.00 5.44 C ATOM 606 CD1 ILE A 36 -18.596 -11.870 -18.552 1.00 63.21 C ATOM 0 H ILE A 36 -20.525 -11.937 -21.629 1.00 12.21 H new ATOM 0 HA ILE A 36 -19.609 -14.602 -21.598 1.00 22.34 H new ATOM 0 HB ILE A 36 -20.863 -12.896 -19.404 1.00 43.44 H new ATOM 0 HG12 ILE A 36 -17.924 -13.468 -19.795 1.00 52.34 H new ATOM 0 HG13 ILE A 36 -18.697 -12.157 -20.664 1.00 52.34 H new ATOM 0 HG21 ILE A 36 -19.734 -14.431 -17.845 1.00 5.44 H new ATOM 0 HG22 ILE A 36 -20.939 -15.278 -18.844 1.00 5.44 H new ATOM 0 HG23 ILE A 36 -19.206 -15.433 -19.218 1.00 5.44 H new ATOM 0 HD11 ILE A 36 -17.642 -11.346 -18.611 1.00 63.21 H new ATOM 0 HD12 ILE A 36 -19.408 -11.143 -18.527 1.00 63.21 H new ATOM 0 HD13 ILE A 36 -18.623 -12.475 -17.646 1.00 63.21 H new ATOM 618 N GLN A 37 -22.837 -14.118 -21.066 1.00 0.35 N ATOM 619 CA GLN A 37 -24.134 -14.782 -21.027 1.00 14.14 C ATOM 620 C GLN A 37 -24.376 -15.579 -22.304 1.00 74.01 C ATOM 621 O GLN A 37 -24.923 -16.681 -22.264 1.00 54.34 O ATOM 622 CB GLN A 37 -25.251 -13.755 -20.833 1.00 13.21 C ATOM 623 CG GLN A 37 -25.451 -13.339 -19.384 1.00 71.24 C ATOM 624 CD GLN A 37 -26.330 -12.112 -19.245 1.00 50.13 C ATOM 625 OE1 GLN A 37 -27.295 -12.109 -18.481 1.00 12.33 O ATOM 626 NE2 GLN A 37 -26.000 -11.060 -19.986 1.00 31.12 N ATOM 0 H GLN A 37 -22.882 -13.101 -21.002 1.00 0.35 H new ATOM 0 HA GLN A 37 -24.135 -15.473 -20.184 1.00 14.14 H new ATOM 0 HB2 GLN A 37 -25.027 -12.870 -21.429 1.00 13.21 H new ATOM 0 HB3 GLN A 37 -26.184 -14.169 -21.216 1.00 13.21 H new ATOM 0 HG2 GLN A 37 -25.897 -14.165 -18.831 1.00 71.24 H new ATOM 0 HG3 GLN A 37 -24.480 -13.139 -18.930 1.00 71.24 H new ATOM 0 HE21 GLN A 37 -25.191 -11.106 -20.606 1.00 31.12 H new ATOM 0 HE22 GLN A 37 -26.555 -10.206 -19.935 1.00 31.12 H new ATOM 635 N GLN A 38 -23.966 -15.014 -23.435 1.00 22.11 N ATOM 636 CA GLN A 38 -24.140 -15.673 -24.724 1.00 45.42 C ATOM 637 C GLN A 38 -23.246 -16.904 -24.831 1.00 40.14 C ATOM 638 O GLN A 38 -23.727 -18.018 -25.041 1.00 14.52 O ATOM 639 CB GLN A 38 -23.827 -14.701 -25.863 1.00 54.43 C ATOM 640 CG GLN A 38 -24.716 -13.467 -25.871 1.00 43.01 C ATOM 641 CD GLN A 38 -25.802 -13.536 -26.927 1.00 23.45 C ATOM 642 OE1 GLN A 38 -25.782 -12.788 -27.904 1.00 63.55 O ATOM 643 NE2 GLN A 38 -26.758 -14.438 -26.734 1.00 42.41 N ATOM 0 H GLN A 38 -23.511 -14.102 -23.485 1.00 22.11 H new ATOM 0 HA GLN A 38 -25.179 -15.993 -24.803 1.00 45.42 H new ATOM 0 HB2 GLN A 38 -22.786 -14.388 -25.787 1.00 54.43 H new ATOM 0 HB3 GLN A 38 -23.934 -15.222 -26.814 1.00 54.43 H new ATOM 0 HG2 GLN A 38 -25.176 -13.349 -24.890 1.00 43.01 H new ATOM 0 HG3 GLN A 38 -24.102 -12.583 -26.044 1.00 43.01 H new ATOM 0 HE21 GLN A 38 -26.734 -15.038 -25.909 1.00 42.41 H new ATOM 0 HE22 GLN A 38 -27.516 -14.531 -27.411 1.00 42.41 H new ATOM 652 N LYS A 39 -21.942 -16.696 -24.687 1.00 25.50 N ATOM 653 CA LYS A 39 -20.979 -17.789 -24.766 1.00 52.04 C ATOM 654 C LYS A 39 -21.302 -18.874 -23.744 1.00 2.32 C ATOM 655 O LYS A 39 -21.026 -20.053 -23.967 1.00 22.33 O ATOM 656 CB LYS A 39 -19.560 -17.264 -24.538 1.00 11.42 C ATOM 657 CG LYS A 39 -19.255 -16.947 -23.084 1.00 34.42 C ATOM 658 CD LYS A 39 -17.831 -16.447 -22.908 1.00 74.25 C ATOM 659 CE LYS A 39 -16.857 -17.598 -22.711 1.00 23.00 C ATOM 660 NZ LYS A 39 -16.344 -18.120 -24.008 1.00 52.52 N ATOM 0 H LYS A 39 -21.527 -15.780 -24.515 1.00 25.50 H new ATOM 0 HA LYS A 39 -21.042 -18.224 -25.763 1.00 52.04 H new ATOM 0 HB2 LYS A 39 -18.846 -18.005 -24.897 1.00 11.42 H new ATOM 0 HB3 LYS A 39 -19.414 -16.364 -25.136 1.00 11.42 H new ATOM 0 HG2 LYS A 39 -19.954 -16.193 -22.721 1.00 34.42 H new ATOM 0 HG3 LYS A 39 -19.406 -17.840 -22.477 1.00 34.42 H new ATOM 0 HD2 LYS A 39 -17.537 -15.866 -23.782 1.00 74.25 H new ATOM 0 HD3 LYS A 39 -17.783 -15.777 -22.049 1.00 74.25 H new ATOM 0 HE2 LYS A 39 -16.020 -17.264 -22.098 1.00 23.00 H new ATOM 0 HE3 LYS A 39 -17.351 -18.402 -22.166 1.00 23.00 H new ATOM 0 HZ1 LYS A 39 -15.305 -18.068 -24.017 1.00 52.52 H new ATOM 0 HZ2 LYS A 39 -16.642 -19.109 -24.126 1.00 52.52 H new ATOM 0 HZ3 LYS A 39 -16.726 -17.548 -24.788 1.00 52.52 H new ATOM 674 N LEU A 40 -21.889 -18.468 -22.623 1.00 64.11 N ATOM 675 CA LEU A 40 -22.251 -19.406 -21.566 1.00 63.22 C ATOM 676 C LEU A 40 -23.694 -19.873 -21.723 1.00 53.15 C ATOM 677 O LEU A 40 -24.168 -20.724 -20.970 1.00 72.02 O ATOM 678 CB LEU A 40 -22.059 -18.758 -20.194 1.00 41.21 C ATOM 679 CG LEU A 40 -20.615 -18.463 -19.787 1.00 42.31 C ATOM 680 CD1 LEU A 40 -20.565 -17.868 -18.388 1.00 54.44 C ATOM 681 CD2 LEU A 40 -19.771 -19.727 -19.861 1.00 1.10 C ATOM 0 H LEU A 40 -22.124 -17.496 -22.423 1.00 64.11 H new ATOM 0 HA LEU A 40 -21.597 -20.274 -21.645 1.00 63.22 H new ATOM 0 HB2 LEU A 40 -22.619 -17.823 -20.174 1.00 41.21 H new ATOM 0 HB3 LEU A 40 -22.501 -19.410 -19.441 1.00 41.21 H new ATOM 0 HG LEU A 40 -20.203 -17.734 -20.485 1.00 42.31 H new ATOM 0 HD11 LEU A 40 -19.529 -17.665 -18.116 1.00 54.44 H new ATOM 0 HD12 LEU A 40 -21.135 -16.939 -18.367 1.00 54.44 H new ATOM 0 HD13 LEU A 40 -20.995 -18.573 -17.677 1.00 54.44 H new ATOM 0 HD21 LEU A 40 -18.746 -19.498 -19.568 1.00 1.10 H new ATOM 0 HD22 LEU A 40 -20.182 -20.479 -19.187 1.00 1.10 H new ATOM 0 HD23 LEU A 40 -19.779 -20.111 -20.881 1.00 1.10 H new ATOM 693 N HIS A 41 -24.388 -19.312 -22.709 1.00 13.35 N ATOM 694 CA HIS A 41 -25.778 -19.673 -22.967 1.00 2.42 C ATOM 695 C HIS A 41 -26.609 -19.581 -21.691 1.00 11.12 C ATOM 696 O HIS A 41 -27.556 -20.344 -21.498 1.00 71.11 O ATOM 697 CB HIS A 41 -25.861 -21.086 -23.543 1.00 61.41 C ATOM 698 CG HIS A 41 -25.241 -21.217 -24.900 1.00 74.34 C ATOM 699 ND1 HIS A 41 -25.957 -21.577 -26.023 1.00 30.43 N ATOM 700 CD2 HIS A 41 -23.966 -21.032 -25.313 1.00 24.22 C ATOM 701 CE1 HIS A 41 -25.148 -21.610 -27.066 1.00 41.14 C ATOM 702 NE2 HIS A 41 -23.934 -21.283 -26.663 1.00 4.54 N ATOM 0 H HIS A 41 -24.011 -18.606 -23.342 1.00 13.35 H new ATOM 0 HA HIS A 41 -26.182 -18.968 -23.694 1.00 2.42 H new ATOM 0 HB2 HIS A 41 -25.369 -21.778 -22.859 1.00 61.41 H new ATOM 0 HB3 HIS A 41 -26.908 -21.385 -23.600 1.00 61.41 H new ATOM 0 HD2 HIS A 41 -23.129 -20.741 -24.696 1.00 24.22 H new ATOM 0 HE1 HIS A 41 -25.431 -21.862 -28.077 1.00 41.14 H new ATOM 0 HE2 HIS A 41 -23.107 -21.226 -27.257 1.00 4.54 H new ATOM 711 N CYS A 42 -26.248 -18.643 -20.821 1.00 54.15 N ATOM 712 CA CYS A 42 -26.959 -18.452 -19.563 1.00 53.42 C ATOM 713 C CYS A 42 -27.518 -17.035 -19.464 1.00 3.12 C ATOM 714 O CYS A 42 -27.111 -16.142 -20.208 1.00 13.23 O ATOM 715 CB CYS A 42 -26.029 -18.729 -18.381 1.00 32.15 C ATOM 716 SG CYS A 42 -24.607 -17.597 -18.272 1.00 5.42 S ATOM 0 H CYS A 42 -25.467 -18.003 -20.965 1.00 54.15 H new ATOM 0 HA CYS A 42 -27.792 -19.155 -19.534 1.00 53.42 H new ATOM 0 HB2 CYS A 42 -26.604 -18.663 -17.457 1.00 32.15 H new ATOM 0 HB3 CYS A 42 -25.660 -19.752 -18.455 1.00 32.15 H new ATOM 721 N CYS A 43 -28.452 -16.837 -18.540 1.00 4.45 N ATOM 722 CA CYS A 43 -29.067 -15.530 -18.341 1.00 41.15 C ATOM 723 C CYS A 43 -28.898 -15.062 -16.899 1.00 33.33 C ATOM 724 O CYS A 43 -29.054 -15.842 -15.960 1.00 73.10 O ATOM 725 CB CYS A 43 -30.553 -15.583 -18.702 1.00 1.32 C ATOM 726 SG CYS A 43 -31.378 -13.958 -18.696 1.00 24.45 S ATOM 0 H CYS A 43 -28.800 -17.566 -17.917 1.00 4.45 H new ATOM 0 HA CYS A 43 -28.566 -14.817 -18.996 1.00 41.15 H new ATOM 0 HB2 CYS A 43 -30.660 -16.029 -19.691 1.00 1.32 H new ATOM 0 HB3 CYS A 43 -31.064 -16.240 -17.998 1.00 1.32 H new ATOM 731 N GLY A 44 -28.579 -13.783 -16.730 1.00 43.44 N ATOM 732 CA GLY A 44 -28.394 -13.233 -15.400 1.00 54.21 C ATOM 733 C GLY A 44 -27.310 -13.950 -14.622 1.00 5.05 C ATOM 734 O GLY A 44 -26.798 -14.980 -15.061 1.00 14.41 O ATOM 0 H GLY A 44 -28.445 -13.117 -17.491 1.00 43.44 H new ATOM 0 HA2 GLY A 44 -28.141 -12.176 -15.479 1.00 54.21 H new ATOM 0 HA3 GLY A 44 -29.333 -13.296 -14.850 1.00 54.21 H new ATOM 738 N ALA A 45 -26.956 -13.404 -13.463 1.00 22.14 N ATOM 739 CA ALA A 45 -25.925 -13.999 -12.621 1.00 42.21 C ATOM 740 C ALA A 45 -26.373 -15.350 -12.075 1.00 75.24 C ATOM 741 O ALA A 45 -25.806 -16.388 -12.417 1.00 5.21 O ATOM 742 CB ALA A 45 -25.568 -13.058 -11.479 1.00 71.54 C ATOM 0 H ALA A 45 -27.368 -12.551 -13.086 1.00 22.14 H new ATOM 0 HA ALA A 45 -25.039 -14.161 -13.235 1.00 42.21 H new ATOM 0 HB1 ALA A 45 -24.797 -13.515 -10.858 1.00 71.54 H new ATOM 0 HB2 ALA A 45 -25.196 -12.117 -11.885 1.00 71.54 H new ATOM 0 HB3 ALA A 45 -26.455 -12.867 -10.874 1.00 71.54 H new ATOM 748 N ASP A 46 -27.395 -15.330 -11.226 1.00 64.40 N ATOM 749 CA ASP A 46 -27.920 -16.555 -10.633 1.00 42.21 C ATOM 750 C ASP A 46 -29.220 -16.973 -11.312 1.00 54.10 C ATOM 751 O ASP A 46 -29.566 -18.154 -11.339 1.00 14.12 O ATOM 752 CB ASP A 46 -28.152 -16.362 -9.134 1.00 1.13 C ATOM 753 CG ASP A 46 -28.683 -14.981 -8.803 1.00 2.11 C ATOM 754 OD1 ASP A 46 -27.898 -14.012 -8.869 1.00 25.44 O ATOM 755 OD2 ASP A 46 -29.884 -14.869 -8.478 1.00 5.24 O ATOM 0 H ASP A 46 -27.876 -14.480 -10.933 1.00 64.40 H new ATOM 0 HA ASP A 46 -27.184 -17.345 -10.780 1.00 42.21 H new ATOM 0 HB2 ASP A 46 -28.857 -17.114 -8.779 1.00 1.13 H new ATOM 0 HB3 ASP A 46 -27.216 -16.525 -8.600 1.00 1.13 H new ATOM 760 N SER A 47 -29.937 -15.996 -11.859 1.00 33.24 N ATOM 761 CA SER A 47 -31.202 -16.262 -12.533 1.00 74.14 C ATOM 762 C SER A 47 -31.575 -15.111 -13.462 1.00 52.42 C ATOM 763 O SER A 47 -31.064 -13.996 -13.348 1.00 32.35 O ATOM 764 CB SER A 47 -32.315 -16.485 -11.507 1.00 61.22 C ATOM 765 OG SER A 47 -32.035 -15.806 -10.295 1.00 64.33 O ATOM 0 H SER A 47 -29.663 -15.014 -11.848 1.00 33.24 H new ATOM 0 HA SER A 47 -31.083 -17.165 -13.131 1.00 74.14 H new ATOM 0 HB2 SER A 47 -33.264 -16.134 -11.913 1.00 61.22 H new ATOM 0 HB3 SER A 47 -32.426 -17.552 -11.313 1.00 61.22 H new ATOM 0 HG SER A 47 -32.762 -15.963 -9.657 1.00 64.33 H new ATOM 771 N PRO A 48 -32.488 -15.385 -14.406 1.00 11.41 N ATOM 772 CA PRO A 48 -32.951 -14.385 -15.373 1.00 70.34 C ATOM 773 C PRO A 48 -33.804 -13.301 -14.724 1.00 35.42 C ATOM 774 O PRO A 48 -33.882 -12.177 -15.219 1.00 60.15 O ATOM 775 CB PRO A 48 -33.787 -15.206 -16.358 1.00 55.13 C ATOM 776 CG PRO A 48 -34.244 -16.388 -15.574 1.00 51.35 C ATOM 777 CD PRO A 48 -33.139 -16.691 -14.601 1.00 11.02 C ATOM 0 HA PRO A 48 -32.121 -13.852 -15.837 1.00 70.34 H new ATOM 0 HB2 PRO A 48 -34.632 -14.631 -16.735 1.00 55.13 H new ATOM 0 HB3 PRO A 48 -33.196 -15.509 -17.222 1.00 55.13 H new ATOM 0 HG2 PRO A 48 -35.176 -16.173 -15.051 1.00 51.35 H new ATOM 0 HG3 PRO A 48 -34.434 -17.240 -16.227 1.00 51.35 H new ATOM 0 HD2 PRO A 48 -33.527 -17.090 -13.664 1.00 11.02 H new ATOM 0 HD3 PRO A 48 -32.444 -17.431 -14.999 1.00 11.02 H new ATOM 785 N LYS A 49 -34.444 -13.646 -13.611 1.00 42.11 N ATOM 786 CA LYS A 49 -35.291 -12.702 -12.891 1.00 61.24 C ATOM 787 C LYS A 49 -34.466 -11.547 -12.333 1.00 51.23 C ATOM 788 O LYS A 49 -35.007 -10.499 -11.981 1.00 54.54 O ATOM 789 CB LYS A 49 -36.029 -13.412 -11.754 1.00 63.21 C ATOM 790 CG LYS A 49 -35.109 -13.924 -10.659 1.00 14.13 C ATOM 791 CD LYS A 49 -35.012 -12.938 -9.507 1.00 11.04 C ATOM 792 CE LYS A 49 -34.526 -13.614 -8.234 1.00 20.22 C ATOM 793 NZ LYS A 49 -35.629 -14.319 -7.524 1.00 13.52 N ATOM 0 H LYS A 49 -34.392 -14.573 -13.188 1.00 42.11 H new ATOM 0 HA LYS A 49 -36.021 -12.298 -13.593 1.00 61.24 H new ATOM 0 HB2 LYS A 49 -36.753 -12.725 -11.317 1.00 63.21 H new ATOM 0 HB3 LYS A 49 -36.593 -14.250 -12.165 1.00 63.21 H new ATOM 0 HG2 LYS A 49 -35.478 -14.881 -10.290 1.00 14.13 H new ATOM 0 HG3 LYS A 49 -34.116 -14.103 -11.071 1.00 14.13 H new ATOM 0 HD2 LYS A 49 -34.330 -12.130 -9.774 1.00 11.04 H new ATOM 0 HD3 LYS A 49 -35.988 -12.486 -9.330 1.00 11.04 H new ATOM 0 HE2 LYS A 49 -33.738 -14.326 -8.479 1.00 20.22 H new ATOM 0 HE3 LYS A 49 -34.086 -12.868 -7.572 1.00 20.22 H new ATOM 0 HZ1 LYS A 49 -35.257 -14.766 -6.662 1.00 13.52 H new ATOM 0 HZ2 LYS A 49 -36.369 -13.635 -7.267 1.00 13.52 H new ATOM 0 HZ3 LYS A 49 -36.032 -15.048 -8.146 1.00 13.52 H new ATOM 807 N ASP A 50 -33.155 -11.745 -12.257 1.00 22.05 N ATOM 808 CA ASP A 50 -32.255 -10.718 -11.744 1.00 31.44 C ATOM 809 C ASP A 50 -32.402 -9.422 -12.535 1.00 34.25 C ATOM 810 O ASP A 50 -32.095 -8.340 -12.035 1.00 1.23 O ATOM 811 CB ASP A 50 -30.806 -11.204 -11.802 1.00 70.34 C ATOM 812 CG ASP A 50 -30.529 -12.320 -10.814 1.00 1.32 C ATOM 813 OD1 ASP A 50 -31.138 -12.311 -9.724 1.00 11.10 O ATOM 814 OD2 ASP A 50 -29.702 -13.201 -11.130 1.00 30.15 O ATOM 0 H ASP A 50 -32.691 -12.607 -12.544 1.00 22.05 H new ATOM 0 HA ASP A 50 -32.523 -10.521 -10.706 1.00 31.44 H new ATOM 0 HB2 ASP A 50 -30.583 -11.552 -12.811 1.00 70.34 H new ATOM 0 HB3 ASP A 50 -30.137 -10.368 -11.598 1.00 70.34 H new ATOM 819 N TYR A 51 -32.873 -9.540 -13.771 1.00 35.11 N ATOM 820 CA TYR A 51 -33.058 -8.378 -14.632 1.00 72.34 C ATOM 821 C TYR A 51 -34.457 -7.792 -14.464 1.00 62.43 C ATOM 822 O TYR A 51 -34.697 -6.628 -14.781 1.00 4.02 O ATOM 823 CB TYR A 51 -32.825 -8.760 -16.095 1.00 54.23 C ATOM 824 CG TYR A 51 -31.372 -9.005 -16.433 1.00 72.51 C ATOM 825 CD1 TYR A 51 -30.413 -8.024 -16.218 1.00 41.35 C ATOM 826 CD2 TYR A 51 -30.959 -10.220 -16.966 1.00 65.21 C ATOM 827 CE1 TYR A 51 -29.084 -8.244 -16.526 1.00 54.35 C ATOM 828 CE2 TYR A 51 -29.632 -10.450 -17.276 1.00 2.43 C ATOM 829 CZ TYR A 51 -28.699 -9.458 -17.055 1.00 23.25 C ATOM 830 OH TYR A 51 -27.376 -9.682 -17.361 1.00 51.33 O ATOM 0 H TYR A 51 -33.134 -10.428 -14.199 1.00 35.11 H new ATOM 0 HA TYR A 51 -32.330 -7.621 -14.340 1.00 72.34 H new ATOM 0 HB2 TYR A 51 -33.399 -9.658 -16.323 1.00 54.23 H new ATOM 0 HB3 TYR A 51 -33.209 -7.966 -16.735 1.00 54.23 H new ATOM 0 HD1 TYR A 51 -30.711 -7.073 -15.803 1.00 41.35 H new ATOM 0 HD2 TYR A 51 -31.687 -10.998 -17.141 1.00 65.21 H new ATOM 0 HE1 TYR A 51 -28.351 -7.470 -16.353 1.00 54.35 H new ATOM 0 HE2 TYR A 51 -29.327 -11.400 -17.689 1.00 2.43 H new ATOM 0 HH TYR A 51 -27.221 -10.645 -17.456 1.00 51.33 H new ATOM 840 N GLY A 52 -35.378 -8.610 -13.962 1.00 44.24 N ATOM 841 CA GLY A 52 -36.741 -8.156 -13.760 1.00 31.13 C ATOM 842 C GLY A 52 -37.713 -8.783 -14.740 1.00 24.43 C ATOM 843 O GLY A 52 -38.108 -9.937 -14.578 1.00 62.43 O ATOM 0 H GLY A 52 -35.204 -9.578 -13.692 1.00 44.24 H new ATOM 0 HA2 GLY A 52 -37.052 -8.393 -12.743 1.00 31.13 H new ATOM 0 HA3 GLY A 52 -36.778 -7.071 -13.860 1.00 31.13 H new ATOM 847 N GLU A 53 -38.099 -8.021 -15.758 1.00 12.33 N ATOM 848 CA GLU A 53 -39.033 -8.509 -16.766 1.00 22.13 C ATOM 849 C GLU A 53 -38.616 -8.052 -18.160 1.00 41.45 C ATOM 850 O GLU A 53 -39.435 -7.993 -19.076 1.00 50.15 O ATOM 851 CB GLU A 53 -40.450 -8.021 -16.459 1.00 52.22 C ATOM 852 CG GLU A 53 -40.664 -6.547 -16.759 1.00 12.32 C ATOM 853 CD GLU A 53 -41.717 -5.917 -15.867 1.00 71.15 C ATOM 854 OE1 GLU A 53 -41.551 -5.963 -14.631 1.00 4.45 O ATOM 855 OE2 GLU A 53 -42.707 -5.379 -16.406 1.00 61.41 O ATOM 0 H GLU A 53 -37.780 -7.064 -15.907 1.00 12.33 H new ATOM 0 HA GLU A 53 -39.019 -9.599 -16.741 1.00 22.13 H new ATOM 0 HB2 GLU A 53 -41.161 -8.608 -17.040 1.00 52.22 H new ATOM 0 HB3 GLU A 53 -40.669 -8.205 -15.407 1.00 52.22 H new ATOM 0 HG2 GLU A 53 -39.721 -6.014 -16.634 1.00 12.32 H new ATOM 0 HG3 GLU A 53 -40.960 -6.431 -17.802 1.00 12.32 H new ATOM 862 N ASN A 54 -37.336 -7.728 -18.313 1.00 1.13 N ATOM 863 CA ASN A 54 -36.809 -7.274 -19.595 1.00 34.31 C ATOM 864 C ASN A 54 -35.299 -7.477 -19.665 1.00 41.02 C ATOM 865 O ASN A 54 -34.516 -6.530 -19.588 1.00 12.22 O ATOM 866 CB ASN A 54 -37.148 -5.799 -19.816 1.00 11.45 C ATOM 867 CG ASN A 54 -38.590 -5.593 -20.238 1.00 30.22 C ATOM 868 OD1 ASN A 54 -39.434 -5.203 -19.290 1.00 14.03 O flip ATOM 869 ND2 ASN A 54 -38.940 -5.783 -21.403 1.00 11.21 N flip ATOM 0 H ASN A 54 -36.644 -7.771 -17.565 1.00 1.13 H new ATOM 0 HA ASN A 54 -37.274 -7.868 -20.382 1.00 34.31 H new ATOM 0 HB2 ASN A 54 -36.959 -5.244 -18.897 1.00 11.45 H new ATOM 0 HB3 ASN A 54 -36.487 -5.388 -20.579 1.00 11.45 H new ATOM 0 HD21 ASN A 54 -38.257 -6.082 -22.098 1.00 11.21 H new ATOM 0 HD22 ASN A 54 -39.913 -5.641 -21.673 1.00 11.21 H new ATOM 876 N PRO A 55 -34.878 -8.742 -19.816 1.00 51.40 N ATOM 877 CA PRO A 55 -33.459 -9.099 -19.901 1.00 41.34 C ATOM 878 C PRO A 55 -32.820 -8.627 -21.203 1.00 63.11 C ATOM 879 O PRO A 55 -33.500 -8.218 -22.144 1.00 40.40 O ATOM 880 CB PRO A 55 -33.473 -10.628 -19.836 1.00 53.11 C ATOM 881 CG PRO A 55 -34.819 -11.016 -20.344 1.00 30.01 C ATOM 882 CD PRO A 55 -35.755 -9.920 -19.915 1.00 72.15 C ATOM 0 HA PRO A 55 -32.873 -8.631 -19.110 1.00 41.34 H new ATOM 0 HB2 PRO A 55 -32.680 -11.058 -20.448 1.00 53.11 H new ATOM 0 HB3 PRO A 55 -33.317 -10.982 -18.817 1.00 53.11 H new ATOM 0 HG2 PRO A 55 -34.811 -11.120 -21.429 1.00 30.01 H new ATOM 0 HG3 PRO A 55 -35.129 -11.977 -19.933 1.00 30.01 H new ATOM 0 HD2 PRO A 55 -36.554 -9.767 -20.641 1.00 72.15 H new ATOM 0 HD3 PRO A 55 -36.231 -10.148 -18.961 1.00 72.15 H new ATOM 890 N PRO A 56 -31.481 -8.685 -21.261 1.00 20.40 N ATOM 891 CA PRO A 56 -30.721 -8.269 -22.443 1.00 61.13 C ATOM 892 C PRO A 56 -30.911 -9.221 -23.619 1.00 40.14 C ATOM 893 O PRO A 56 -31.318 -10.370 -23.443 1.00 12.31 O ATOM 894 CB PRO A 56 -29.269 -8.299 -21.960 1.00 63.32 C ATOM 895 CG PRO A 56 -29.262 -9.282 -20.841 1.00 33.31 C ATOM 896 CD PRO A 56 -30.606 -9.163 -20.177 1.00 11.31 C ATOM 0 HA PRO A 56 -31.042 -7.295 -22.812 1.00 61.13 H new ATOM 0 HB2 PRO A 56 -28.592 -8.603 -22.759 1.00 63.32 H new ATOM 0 HB3 PRO A 56 -28.943 -7.315 -21.624 1.00 63.32 H new ATOM 0 HG2 PRO A 56 -29.098 -10.294 -21.211 1.00 33.31 H new ATOM 0 HG3 PRO A 56 -28.458 -9.066 -20.137 1.00 33.31 H new ATOM 0 HD2 PRO A 56 -30.944 -10.120 -19.780 1.00 11.31 H new ATOM 0 HD3 PRO A 56 -30.581 -8.463 -19.342 1.00 11.31 H new ATOM 904 N THR A 57 -30.613 -8.736 -24.821 1.00 72.51 N ATOM 905 CA THR A 57 -30.752 -9.544 -26.027 1.00 1.25 C ATOM 906 C THR A 57 -29.812 -10.744 -25.996 1.00 1.51 C ATOM 907 O THR A 57 -29.982 -11.697 -26.756 1.00 45.43 O ATOM 908 CB THR A 57 -30.467 -8.715 -27.293 1.00 73.35 C ATOM 909 OG1 THR A 57 -30.568 -9.546 -28.455 1.00 64.52 O ATOM 910 CG2 THR A 57 -29.083 -8.088 -27.230 1.00 62.23 C ATOM 0 H THR A 57 -30.274 -7.788 -24.985 1.00 72.51 H new ATOM 0 HA THR A 57 -31.783 -9.895 -26.056 1.00 1.25 H new ATOM 0 HB THR A 57 -31.207 -7.917 -27.352 1.00 73.35 H new ATOM 0 HG1 THR A 57 -30.387 -9.011 -29.256 1.00 64.52 H new ATOM 0 HG21 THR A 57 -28.905 -7.508 -28.135 1.00 62.23 H new ATOM 0 HG22 THR A 57 -29.019 -7.433 -26.361 1.00 62.23 H new ATOM 0 HG23 THR A 57 -28.331 -8.873 -27.149 1.00 62.23 H new ATOM 918 N SER A 58 -28.821 -10.691 -25.112 1.00 2.51 N ATOM 919 CA SER A 58 -27.851 -11.772 -24.984 1.00 74.45 C ATOM 920 C SER A 58 -28.441 -12.941 -24.201 1.00 14.02 C ATOM 921 O SER A 58 -27.987 -14.079 -24.324 1.00 53.12 O ATOM 922 CB SER A 58 -26.582 -11.270 -24.294 1.00 51.31 C ATOM 923 OG SER A 58 -26.187 -12.146 -23.253 1.00 1.33 O ATOM 0 H SER A 58 -28.669 -9.910 -24.473 1.00 2.51 H new ATOM 0 HA SER A 58 -27.597 -12.119 -25.986 1.00 74.45 H new ATOM 0 HB2 SER A 58 -25.778 -11.182 -25.024 1.00 51.31 H new ATOM 0 HB3 SER A 58 -26.755 -10.273 -23.889 1.00 51.31 H new ATOM 0 HG SER A 58 -25.210 -12.141 -23.174 1.00 1.33 H new ATOM 929 N CYS A 59 -29.457 -12.651 -23.394 1.00 24.41 N ATOM 930 CA CYS A 59 -30.110 -13.676 -22.589 1.00 13.14 C ATOM 931 C CYS A 59 -30.906 -14.635 -23.469 1.00 52.45 C ATOM 932 O CYS A 59 -31.349 -15.689 -23.015 1.00 23.52 O ATOM 933 CB CYS A 59 -31.035 -13.029 -21.555 1.00 25.20 C ATOM 934 SG CYS A 59 -30.276 -12.809 -19.914 1.00 4.24 S ATOM 0 H CYS A 59 -29.845 -11.715 -23.281 1.00 24.41 H new ATOM 0 HA CYS A 59 -29.336 -14.243 -22.072 1.00 13.14 H new ATOM 0 HB2 CYS A 59 -31.356 -12.057 -21.928 1.00 25.20 H new ATOM 0 HB3 CYS A 59 -31.930 -13.642 -21.450 1.00 25.20 H new ATOM 939 N SER A 60 -31.084 -14.260 -24.732 1.00 43.14 N ATOM 940 CA SER A 60 -31.829 -15.084 -25.677 1.00 20.13 C ATOM 941 C SER A 60 -31.086 -15.196 -27.004 1.00 40.25 C ATOM 942 O SER A 60 -30.414 -14.258 -27.434 1.00 63.24 O ATOM 943 CB SER A 60 -33.223 -14.499 -25.907 1.00 55.43 C ATOM 944 OG SER A 60 -33.238 -13.104 -25.658 1.00 54.41 O ATOM 0 H SER A 60 -30.722 -13.391 -25.124 1.00 43.14 H new ATOM 0 HA SER A 60 -31.928 -16.083 -25.251 1.00 20.13 H new ATOM 0 HB2 SER A 60 -33.537 -14.692 -26.933 1.00 55.43 H new ATOM 0 HB3 SER A 60 -33.941 -14.996 -25.255 1.00 55.43 H new ATOM 0 HG SER A 60 -34.140 -12.754 -25.814 1.00 54.41 H new ATOM 950 N LYS A 61 -31.212 -16.350 -27.650 1.00 60.14 N ATOM 951 CA LYS A 61 -30.555 -16.587 -28.930 1.00 63.01 C ATOM 952 C LYS A 61 -31.369 -17.548 -29.790 1.00 62.41 C ATOM 953 O LYS A 61 -31.977 -18.490 -29.280 1.00 40.50 O ATOM 954 CB LYS A 61 -29.149 -17.150 -28.708 1.00 40.14 C ATOM 955 CG LYS A 61 -28.082 -16.472 -29.551 1.00 14.44 C ATOM 956 CD LYS A 61 -28.003 -17.076 -30.943 1.00 15.54 C ATOM 957 CE LYS A 61 -27.492 -18.507 -30.901 1.00 20.31 C ATOM 958 NZ LYS A 61 -26.216 -18.619 -30.140 1.00 54.35 N ATOM 0 H LYS A 61 -31.764 -17.137 -27.308 1.00 60.14 H new ATOM 0 HA LYS A 61 -30.480 -15.634 -29.454 1.00 63.01 H new ATOM 0 HB2 LYS A 61 -28.888 -17.047 -27.655 1.00 40.14 H new ATOM 0 HB3 LYS A 61 -29.154 -18.217 -28.933 1.00 40.14 H new ATOM 0 HG2 LYS A 61 -28.300 -15.407 -29.628 1.00 14.44 H new ATOM 0 HG3 LYS A 61 -27.114 -16.565 -29.058 1.00 14.44 H new ATOM 0 HD2 LYS A 61 -28.989 -17.054 -31.407 1.00 15.54 H new ATOM 0 HD3 LYS A 61 -27.344 -16.471 -31.566 1.00 15.54 H new ATOM 0 HE2 LYS A 61 -28.245 -19.148 -30.443 1.00 20.31 H new ATOM 0 HE3 LYS A 61 -27.341 -18.869 -31.918 1.00 20.31 H new ATOM 0 HZ1 LYS A 61 -25.745 -19.514 -30.381 1.00 54.35 H new ATOM 0 HZ2 LYS A 61 -25.594 -17.823 -30.387 1.00 54.35 H new ATOM 0 HZ3 LYS A 61 -26.417 -18.598 -29.120 1.00 54.35 H new ATOM 972 N ASP A 62 -31.375 -17.306 -31.096 1.00 64.33 N ATOM 973 CA ASP A 62 -32.112 -18.152 -32.027 1.00 60.55 C ATOM 974 C ASP A 62 -33.573 -18.278 -31.608 1.00 13.53 C ATOM 975 O ASP A 62 -34.235 -19.269 -31.913 1.00 43.21 O ATOM 976 CB ASP A 62 -31.471 -19.539 -32.107 1.00 41.23 C ATOM 977 CG ASP A 62 -31.519 -20.119 -33.507 1.00 72.20 C ATOM 978 OD1 ASP A 62 -32.563 -19.968 -34.176 1.00 22.23 O ATOM 979 OD2 ASP A 62 -30.514 -20.725 -33.933 1.00 62.35 O ATOM 0 H ASP A 62 -30.878 -16.531 -31.534 1.00 64.33 H new ATOM 0 HA ASP A 62 -32.074 -17.685 -33.011 1.00 60.55 H new ATOM 0 HB2 ASP A 62 -30.434 -19.476 -31.778 1.00 41.23 H new ATOM 0 HB3 ASP A 62 -31.983 -20.213 -31.420 1.00 41.23 H new ATOM 984 N GLY A 63 -34.071 -17.265 -30.904 1.00 44.32 N ATOM 985 CA GLY A 63 -35.450 -17.282 -30.453 1.00 2.41 C ATOM 986 C GLY A 63 -35.652 -18.169 -29.241 1.00 13.13 C ATOM 987 O GLY A 63 -36.747 -18.684 -29.015 1.00 73.34 O ATOM 0 H GLY A 63 -33.544 -16.433 -30.638 1.00 44.32 H new ATOM 0 HA2 GLY A 63 -35.763 -16.266 -30.212 1.00 2.41 H new ATOM 0 HA3 GLY A 63 -36.090 -17.629 -31.264 1.00 2.41 H new ATOM 991 N VAL A 64 -34.593 -18.350 -28.458 1.00 12.20 N ATOM 992 CA VAL A 64 -34.659 -19.182 -27.262 1.00 52.34 C ATOM 993 C VAL A 64 -34.311 -18.379 -26.014 1.00 42.32 C ATOM 994 O VAL A 64 -33.606 -17.373 -26.089 1.00 4.12 O ATOM 995 CB VAL A 64 -33.708 -20.389 -27.365 1.00 41.42 C ATOM 996 CG1 VAL A 64 -32.315 -20.013 -26.883 1.00 30.44 C ATOM 997 CG2 VAL A 64 -34.256 -21.567 -26.574 1.00 64.15 C ATOM 0 H VAL A 64 -33.679 -17.932 -28.630 1.00 12.20 H new ATOM 0 HA VAL A 64 -35.685 -19.543 -27.184 1.00 52.34 H new ATOM 0 HB VAL A 64 -33.636 -20.686 -28.411 1.00 41.42 H new ATOM 0 HG11 VAL A 64 -31.657 -20.878 -26.963 1.00 30.44 H new ATOM 0 HG12 VAL A 64 -31.924 -19.202 -27.497 1.00 30.44 H new ATOM 0 HG13 VAL A 64 -32.365 -19.690 -25.843 1.00 30.44 H new ATOM 0 HG21 VAL A 64 -33.572 -22.411 -26.658 1.00 64.15 H new ATOM 0 HG22 VAL A 64 -34.359 -21.285 -25.526 1.00 64.15 H new ATOM 0 HG23 VAL A 64 -35.231 -21.850 -26.971 1.00 64.15 H new ATOM 1007 N GLN A 65 -34.810 -18.831 -24.868 1.00 43.42 N ATOM 1008 CA GLN A 65 -34.551 -18.153 -23.603 1.00 62.41 C ATOM 1009 C GLN A 65 -33.667 -19.007 -22.699 1.00 75.24 C ATOM 1010 O GLN A 65 -33.923 -20.196 -22.508 1.00 30.20 O ATOM 1011 CB GLN A 65 -35.867 -17.832 -22.894 1.00 34.34 C ATOM 1012 CG GLN A 65 -35.745 -16.729 -21.855 1.00 54.11 C ATOM 1013 CD GLN A 65 -35.730 -17.262 -20.436 1.00 70.10 C ATOM 1014 OE1 GLN A 65 -36.701 -17.863 -19.976 1.00 13.23 O ATOM 1015 NE2 GLN A 65 -34.624 -17.045 -19.734 1.00 12.03 N ATOM 0 H GLN A 65 -35.395 -19.663 -24.789 1.00 43.42 H new ATOM 0 HA GLN A 65 -34.027 -17.222 -23.819 1.00 62.41 H new ATOM 0 HB2 GLN A 65 -36.608 -17.539 -23.637 1.00 34.34 H new ATOM 0 HB3 GLN A 65 -36.240 -18.735 -22.411 1.00 34.34 H new ATOM 0 HG2 GLN A 65 -34.831 -16.164 -22.036 1.00 54.11 H new ATOM 0 HG3 GLN A 65 -36.577 -16.034 -21.969 1.00 54.11 H new ATOM 0 HE21 GLN A 65 -33.843 -16.542 -20.155 1.00 12.03 H new ATOM 0 HE22 GLN A 65 -34.555 -17.381 -18.773 1.00 12.03 H new ATOM 1024 N PHE A 66 -32.627 -18.393 -22.146 1.00 61.11 N ATOM 1025 CA PHE A 66 -31.704 -19.097 -21.263 1.00 74.32 C ATOM 1026 C PHE A 66 -32.196 -19.056 -19.819 1.00 64.41 C ATOM 1027 O PHE A 66 -31.917 -18.110 -19.082 1.00 53.43 O ATOM 1028 CB PHE A 66 -30.306 -18.482 -21.356 1.00 35.11 C ATOM 1029 CG PHE A 66 -29.721 -18.530 -22.738 1.00 50.23 C ATOM 1030 CD1 PHE A 66 -29.842 -19.669 -23.517 1.00 73.14 C ATOM 1031 CD2 PHE A 66 -29.049 -17.435 -23.258 1.00 61.54 C ATOM 1032 CE1 PHE A 66 -29.305 -19.716 -24.790 1.00 70.30 C ATOM 1033 CE2 PHE A 66 -28.510 -17.477 -24.530 1.00 51.44 C ATOM 1034 CZ PHE A 66 -28.637 -18.619 -25.297 1.00 11.33 C ATOM 0 H PHE A 66 -32.402 -17.409 -22.293 1.00 61.11 H new ATOM 0 HA PHE A 66 -31.657 -20.138 -21.583 1.00 74.32 H new ATOM 0 HB2 PHE A 66 -30.351 -17.444 -21.025 1.00 35.11 H new ATOM 0 HB3 PHE A 66 -29.641 -19.006 -20.670 1.00 35.11 H new ATOM 0 HD1 PHE A 66 -30.362 -20.531 -23.125 1.00 73.14 H new ATOM 0 HD2 PHE A 66 -28.945 -16.540 -22.663 1.00 61.54 H new ATOM 0 HE1 PHE A 66 -29.408 -20.610 -25.387 1.00 70.30 H new ATOM 0 HE2 PHE A 66 -27.989 -16.617 -24.924 1.00 51.44 H new ATOM 0 HZ PHE A 66 -28.215 -18.654 -26.291 1.00 11.33 H new ATOM 1044 N THR A 67 -32.929 -20.091 -19.420 1.00 53.12 N ATOM 1045 CA THR A 67 -33.461 -20.174 -18.066 1.00 13.30 C ATOM 1046 C THR A 67 -32.398 -20.655 -17.086 1.00 4.32 C ATOM 1047 O THR A 67 -32.623 -20.683 -15.876 1.00 40.35 O ATOM 1048 CB THR A 67 -34.674 -21.121 -17.996 1.00 21.03 C ATOM 1049 OG1 THR A 67 -34.482 -22.229 -18.883 1.00 12.24 O ATOM 1050 CG2 THR A 67 -35.955 -20.388 -18.362 1.00 15.32 C ATOM 0 H THR A 67 -33.168 -20.884 -20.016 1.00 53.12 H new ATOM 0 HA THR A 67 -33.778 -19.169 -17.789 1.00 13.30 H new ATOM 0 HB THR A 67 -34.763 -21.486 -16.973 1.00 21.03 H new ATOM 0 HG1 THR A 67 -35.256 -22.827 -18.832 1.00 12.24 H new ATOM 0 HG21 THR A 67 -36.797 -21.077 -18.305 1.00 15.32 H new ATOM 0 HG22 THR A 67 -36.114 -19.563 -17.667 1.00 15.32 H new ATOM 0 HG23 THR A 67 -35.873 -19.997 -19.376 1.00 15.32 H new ATOM 1058 N GLU A 68 -31.238 -21.032 -17.616 1.00 12.33 N ATOM 1059 CA GLU A 68 -30.140 -21.512 -16.786 1.00 3.25 C ATOM 1060 C GLU A 68 -29.364 -20.345 -16.181 1.00 51.33 C ATOM 1061 O GLU A 68 -29.314 -19.256 -16.752 1.00 75.24 O ATOM 1062 CB GLU A 68 -29.197 -22.394 -17.608 1.00 14.45 C ATOM 1063 CG GLU A 68 -29.855 -23.656 -18.140 1.00 41.32 C ATOM 1064 CD GLU A 68 -29.949 -24.750 -17.095 1.00 31.11 C ATOM 1065 OE1 GLU A 68 -29.785 -24.442 -15.896 1.00 73.11 O ATOM 1066 OE2 GLU A 68 -30.187 -25.915 -17.477 1.00 32.23 O ATOM 0 H GLU A 68 -31.035 -21.014 -18.615 1.00 12.33 H new ATOM 0 HA GLU A 68 -30.564 -22.103 -15.975 1.00 3.25 H new ATOM 0 HB2 GLU A 68 -28.810 -21.815 -18.446 1.00 14.45 H new ATOM 0 HB3 GLU A 68 -28.343 -22.672 -16.991 1.00 14.45 H new ATOM 0 HG2 GLU A 68 -30.855 -23.416 -18.500 1.00 41.32 H new ATOM 0 HG3 GLU A 68 -29.288 -24.024 -18.995 1.00 41.32 H new ATOM 1073 N GLY A 69 -28.760 -20.581 -15.021 1.00 2.23 N ATOM 1074 CA GLY A 69 -27.995 -19.541 -14.357 1.00 54.12 C ATOM 1075 C GLY A 69 -26.592 -19.408 -14.914 1.00 61.13 C ATOM 1076 O GLY A 69 -26.190 -20.170 -15.794 1.00 73.31 O ATOM 0 H GLY A 69 -28.786 -21.474 -14.529 1.00 2.23 H new ATOM 0 HA2 GLY A 69 -28.516 -18.589 -14.461 1.00 54.12 H new ATOM 0 HA3 GLY A 69 -27.940 -19.760 -13.291 1.00 54.12 H new ATOM 1080 N CYS A 70 -25.843 -18.436 -14.403 1.00 35.52 N ATOM 1081 CA CYS A 70 -24.477 -18.204 -14.855 1.00 53.05 C ATOM 1082 C CYS A 70 -23.470 -18.669 -13.807 1.00 54.42 C ATOM 1083 O CYS A 70 -22.484 -19.331 -14.130 1.00 70.12 O ATOM 1084 CB CYS A 70 -24.265 -16.720 -15.160 1.00 45.15 C ATOM 1085 SG CYS A 70 -24.650 -16.251 -16.878 1.00 15.11 S ATOM 0 H CYS A 70 -26.160 -17.796 -13.675 1.00 35.52 H new ATOM 0 HA CYS A 70 -24.319 -18.782 -15.766 1.00 53.05 H new ATOM 0 HB2 CYS A 70 -24.885 -16.129 -14.486 1.00 45.15 H new ATOM 0 HB3 CYS A 70 -23.228 -16.461 -14.948 1.00 45.15 H new ATOM 1090 N ILE A 71 -23.727 -18.317 -12.552 1.00 1.31 N ATOM 1091 CA ILE A 71 -22.844 -18.699 -11.457 1.00 13.45 C ATOM 1092 C ILE A 71 -22.599 -20.204 -11.447 1.00 52.42 C ATOM 1093 O ILE A 71 -21.549 -20.670 -11.006 1.00 22.41 O ATOM 1094 CB ILE A 71 -23.423 -18.276 -10.093 1.00 52.45 C ATOM 1095 CG1 ILE A 71 -23.643 -16.762 -10.056 1.00 1.13 C ATOM 1096 CG2 ILE A 71 -22.498 -18.710 -8.967 1.00 65.20 C ATOM 1097 CD1 ILE A 71 -24.664 -16.325 -9.029 1.00 0.03 C ATOM 0 H ILE A 71 -24.539 -17.768 -12.268 1.00 1.31 H new ATOM 0 HA ILE A 71 -21.899 -18.180 -11.619 1.00 13.45 H new ATOM 0 HB ILE A 71 -24.386 -18.768 -9.955 1.00 52.45 H new ATOM 0 HG12 ILE A 71 -22.694 -16.270 -9.845 1.00 1.13 H new ATOM 0 HG13 ILE A 71 -23.964 -16.425 -11.042 1.00 1.13 H new ATOM 0 HG21 ILE A 71 -22.921 -18.404 -8.010 1.00 65.20 H new ATOM 0 HG22 ILE A 71 -22.387 -19.794 -8.985 1.00 65.20 H new ATOM 0 HG23 ILE A 71 -21.522 -18.243 -9.098 1.00 65.20 H new ATOM 0 HD11 ILE A 71 -24.769 -15.240 -9.059 1.00 0.03 H new ATOM 0 HD12 ILE A 71 -25.625 -16.789 -9.251 1.00 0.03 H new ATOM 0 HD13 ILE A 71 -24.335 -16.631 -8.036 1.00 0.03 H new ATOM 1109 N LYS A 72 -23.575 -20.959 -11.939 1.00 31.40 N ATOM 1110 CA LYS A 72 -23.466 -22.412 -11.991 1.00 61.51 C ATOM 1111 C LYS A 72 -22.708 -22.857 -13.238 1.00 41.20 C ATOM 1112 O LYS A 72 -21.882 -23.768 -13.183 1.00 60.25 O ATOM 1113 CB LYS A 72 -24.857 -23.050 -11.973 1.00 20.03 C ATOM 1114 CG LYS A 72 -25.697 -22.643 -10.775 1.00 1.34 C ATOM 1115 CD LYS A 72 -26.465 -21.359 -11.042 1.00 63.13 C ATOM 1116 CE LYS A 72 -27.728 -21.279 -10.198 1.00 44.35 C ATOM 1117 NZ LYS A 72 -28.849 -22.050 -10.803 1.00 24.50 N ATOM 0 H LYS A 72 -24.451 -20.589 -12.308 1.00 31.40 H new ATOM 0 HA LYS A 72 -22.911 -22.741 -11.113 1.00 61.51 H new ATOM 0 HB2 LYS A 72 -25.385 -22.776 -12.886 1.00 20.03 H new ATOM 0 HB3 LYS A 72 -24.750 -24.135 -11.980 1.00 20.03 H new ATOM 0 HG2 LYS A 72 -26.397 -23.443 -10.532 1.00 1.34 H new ATOM 0 HG3 LYS A 72 -25.052 -22.508 -9.906 1.00 1.34 H new ATOM 0 HD2 LYS A 72 -25.828 -20.501 -10.827 1.00 63.13 H new ATOM 0 HD3 LYS A 72 -26.728 -21.304 -12.098 1.00 63.13 H new ATOM 0 HE2 LYS A 72 -27.522 -21.662 -9.199 1.00 44.35 H new ATOM 0 HE3 LYS A 72 -28.024 -20.236 -10.085 1.00 44.35 H new ATOM 0 HZ1 LYS A 72 -29.691 -21.970 -10.198 1.00 24.50 H new ATOM 0 HZ2 LYS A 72 -29.063 -21.669 -11.747 1.00 24.50 H new ATOM 0 HZ3 LYS A 72 -28.577 -23.050 -10.887 1.00 24.50 H new ATOM 1131 N LYS A 73 -22.993 -22.206 -14.361 1.00 62.41 N ATOM 1132 CA LYS A 73 -22.336 -22.532 -15.622 1.00 15.22 C ATOM 1133 C LYS A 73 -20.845 -22.218 -15.556 1.00 31.44 C ATOM 1134 O LYS A 73 -20.009 -23.058 -15.889 1.00 42.14 O ATOM 1135 CB LYS A 73 -22.981 -21.754 -16.772 1.00 32.54 C ATOM 1136 CG LYS A 73 -24.411 -22.176 -17.065 1.00 23.14 C ATOM 1137 CD LYS A 73 -24.477 -23.608 -17.569 1.00 54.34 C ATOM 1138 CE LYS A 73 -23.729 -23.771 -18.884 1.00 15.22 C ATOM 1139 NZ LYS A 73 -23.973 -25.105 -19.499 1.00 54.20 N ATOM 0 H LYS A 73 -23.674 -21.450 -14.424 1.00 62.41 H new ATOM 0 HA LYS A 73 -22.457 -23.601 -15.800 1.00 15.22 H new ATOM 0 HB2 LYS A 73 -22.966 -20.691 -16.533 1.00 32.54 H new ATOM 0 HB3 LYS A 73 -22.380 -21.887 -17.672 1.00 32.54 H new ATOM 0 HG2 LYS A 73 -25.012 -22.079 -16.161 1.00 23.14 H new ATOM 0 HG3 LYS A 73 -24.844 -21.507 -17.809 1.00 23.14 H new ATOM 0 HD2 LYS A 73 -24.052 -24.278 -16.822 1.00 54.34 H new ATOM 0 HD3 LYS A 73 -25.519 -23.900 -17.703 1.00 54.34 H new ATOM 0 HE2 LYS A 73 -24.039 -22.989 -19.577 1.00 15.22 H new ATOM 0 HE3 LYS A 73 -22.661 -23.640 -18.713 1.00 15.22 H new ATOM 0 HZ1 LYS A 73 -23.446 -25.177 -20.393 1.00 54.20 H new ATOM 0 HZ2 LYS A 73 -23.654 -25.851 -18.848 1.00 54.20 H new ATOM 0 HZ3 LYS A 73 -24.990 -25.220 -19.686 1.00 54.20 H new ATOM 1153 N VAL A 74 -20.519 -21.005 -15.121 1.00 64.23 N ATOM 1154 CA VAL A 74 -19.128 -20.582 -15.009 1.00 22.23 C ATOM 1155 C VAL A 74 -18.332 -21.539 -14.128 1.00 50.10 C ATOM 1156 O VAL A 74 -17.188 -21.875 -14.435 1.00 34.52 O ATOM 1157 CB VAL A 74 -19.019 -19.159 -14.430 1.00 52.24 C ATOM 1158 CG1 VAL A 74 -17.561 -18.745 -14.300 1.00 33.10 C ATOM 1159 CG2 VAL A 74 -19.787 -18.172 -15.297 1.00 45.04 C ATOM 0 H VAL A 74 -21.199 -20.298 -14.841 1.00 64.23 H new ATOM 0 HA VAL A 74 -18.713 -20.589 -16.017 1.00 22.23 H new ATOM 0 HB VAL A 74 -19.462 -19.155 -13.434 1.00 52.24 H new ATOM 0 HG11 VAL A 74 -17.504 -17.737 -13.889 1.00 33.10 H new ATOM 0 HG12 VAL A 74 -17.044 -19.437 -13.635 1.00 33.10 H new ATOM 0 HG13 VAL A 74 -17.088 -18.764 -15.282 1.00 33.10 H new ATOM 0 HG21 VAL A 74 -19.700 -17.171 -14.874 1.00 45.04 H new ATOM 0 HG22 VAL A 74 -19.375 -18.177 -16.306 1.00 45.04 H new ATOM 0 HG23 VAL A 74 -20.838 -18.460 -15.333 1.00 45.04 H new ATOM 1169 N SER A 75 -18.945 -21.974 -13.032 1.00 31.20 N ATOM 1170 CA SER A 75 -18.293 -22.890 -12.104 1.00 24.31 C ATOM 1171 C SER A 75 -18.211 -24.295 -12.694 1.00 44.33 C ATOM 1172 O SER A 75 -17.243 -25.021 -12.466 1.00 2.50 O ATOM 1173 CB SER A 75 -19.049 -22.927 -10.774 1.00 64.13 C ATOM 1174 OG SER A 75 -18.191 -23.302 -9.710 1.00 71.33 O ATOM 0 H SER A 75 -19.892 -21.707 -12.765 1.00 31.20 H new ATOM 0 HA SER A 75 -17.280 -22.529 -11.928 1.00 24.31 H new ATOM 0 HB2 SER A 75 -19.480 -21.947 -10.570 1.00 64.13 H new ATOM 0 HB3 SER A 75 -19.878 -23.632 -10.843 1.00 64.13 H new ATOM 0 HG SER A 75 -18.697 -23.317 -8.871 1.00 71.33 H new ATOM 1180 N ASP A 76 -19.233 -24.671 -13.454 1.00 52.54 N ATOM 1181 CA ASP A 76 -19.278 -25.987 -14.079 1.00 60.34 C ATOM 1182 C ASP A 76 -18.141 -26.151 -15.083 1.00 60.32 C ATOM 1183 O ASP A 76 -17.411 -27.143 -15.054 1.00 71.12 O ATOM 1184 CB ASP A 76 -20.623 -26.200 -14.775 1.00 15.11 C ATOM 1185 CG ASP A 76 -21.576 -27.040 -13.948 1.00 34.32 C ATOM 1186 OD1 ASP A 76 -21.442 -27.041 -12.706 1.00 43.35 O ATOM 1187 OD2 ASP A 76 -22.456 -27.698 -14.542 1.00 32.41 O ATOM 0 H ASP A 76 -20.042 -24.082 -13.652 1.00 52.54 H new ATOM 0 HA ASP A 76 -19.160 -26.737 -13.297 1.00 60.34 H new ATOM 0 HB2 ASP A 76 -21.080 -25.232 -14.979 1.00 15.11 H new ATOM 0 HB3 ASP A 76 -20.458 -26.684 -15.738 1.00 15.11 H new ATOM 1192 N LEU A 77 -17.997 -25.174 -15.971 1.00 2.52 N ATOM 1193 CA LEU A 77 -16.949 -25.209 -16.985 1.00 70.42 C ATOM 1194 C LEU A 77 -15.572 -25.034 -16.352 1.00 73.04 C ATOM 1195 O LEU A 77 -14.574 -25.539 -16.865 1.00 45.32 O ATOM 1196 CB LEU A 77 -17.186 -24.117 -18.030 1.00 24.41 C ATOM 1197 CG LEU A 77 -16.724 -22.711 -17.647 1.00 10.21 C ATOM 1198 CD1 LEU A 77 -15.292 -22.477 -18.101 1.00 44.01 C ATOM 1199 CD2 LEU A 77 -17.653 -21.664 -18.244 1.00 44.33 C ATOM 0 H LEU A 77 -18.593 -24.347 -16.010 1.00 2.52 H new ATOM 0 HA LEU A 77 -16.982 -26.183 -17.473 1.00 70.42 H new ATOM 0 HB2 LEU A 77 -16.679 -24.406 -18.950 1.00 24.41 H new ATOM 0 HB3 LEU A 77 -18.253 -24.080 -18.252 1.00 24.41 H new ATOM 0 HG LEU A 77 -16.758 -22.621 -16.561 1.00 10.21 H new ATOM 0 HD11 LEU A 77 -14.981 -21.471 -17.820 1.00 44.01 H new ATOM 0 HD12 LEU A 77 -14.636 -23.206 -17.626 1.00 44.01 H new ATOM 0 HD13 LEU A 77 -15.231 -22.586 -19.184 1.00 44.01 H new ATOM 0 HD21 LEU A 77 -17.309 -20.669 -17.961 1.00 44.33 H new ATOM 0 HD22 LEU A 77 -17.652 -21.753 -19.330 1.00 44.33 H new ATOM 0 HD23 LEU A 77 -18.665 -21.819 -17.869 1.00 44.33 H new ATOM 1211 N SER A 78 -15.528 -24.317 -15.234 1.00 44.01 N ATOM 1212 CA SER A 78 -14.273 -24.074 -14.532 1.00 12.34 C ATOM 1213 C SER A 78 -13.739 -25.361 -13.912 1.00 21.41 C ATOM 1214 O SER A 78 -12.534 -25.613 -13.915 1.00 43.22 O ATOM 1215 CB SER A 78 -14.470 -23.015 -13.445 1.00 43.31 C ATOM 1216 OG SER A 78 -13.299 -22.865 -12.661 1.00 22.20 O ATOM 0 H SER A 78 -16.346 -23.894 -14.795 1.00 44.01 H new ATOM 0 HA SER A 78 -13.544 -23.711 -15.257 1.00 12.34 H new ATOM 0 HB2 SER A 78 -14.728 -22.061 -13.905 1.00 43.31 H new ATOM 0 HB3 SER A 78 -15.306 -23.297 -12.805 1.00 43.31 H new ATOM 0 HG SER A 78 -13.450 -22.182 -11.975 1.00 22.20 H new ATOM 1222 N LYS A 79 -14.645 -26.175 -13.380 1.00 50.30 N ATOM 1223 CA LYS A 79 -14.268 -27.438 -12.757 1.00 11.11 C ATOM 1224 C LYS A 79 -14.183 -28.552 -13.795 1.00 23.42 C ATOM 1225 O LYS A 79 -13.429 -29.511 -13.629 1.00 35.30 O ATOM 1226 CB LYS A 79 -15.277 -27.815 -11.670 1.00 30.12 C ATOM 1227 CG LYS A 79 -16.615 -28.282 -12.217 1.00 42.31 C ATOM 1228 CD LYS A 79 -17.545 -28.734 -11.104 1.00 74.03 C ATOM 1229 CE LYS A 79 -17.269 -30.173 -10.697 1.00 4.04 C ATOM 1230 NZ LYS A 79 -18.385 -30.747 -9.896 1.00 31.13 N ATOM 0 H LYS A 79 -15.646 -25.982 -13.368 1.00 50.30 H new ATOM 0 HA LYS A 79 -13.285 -27.312 -12.304 1.00 11.11 H new ATOM 0 HB2 LYS A 79 -14.852 -28.604 -11.050 1.00 30.12 H new ATOM 0 HB3 LYS A 79 -15.440 -26.953 -11.022 1.00 30.12 H new ATOM 0 HG2 LYS A 79 -17.083 -27.472 -12.777 1.00 42.31 H new ATOM 0 HG3 LYS A 79 -16.457 -29.103 -12.916 1.00 42.31 H new ATOM 0 HD2 LYS A 79 -17.424 -28.081 -10.240 1.00 74.03 H new ATOM 0 HD3 LYS A 79 -18.580 -28.640 -11.433 1.00 74.03 H new ATOM 0 HE2 LYS A 79 -17.113 -30.779 -11.589 1.00 4.04 H new ATOM 0 HE3 LYS A 79 -16.347 -30.216 -10.118 1.00 4.04 H new ATOM 0 HZ1 LYS A 79 -18.158 -31.729 -9.638 1.00 31.13 H new ATOM 0 HZ2 LYS A 79 -18.517 -30.184 -9.032 1.00 31.13 H new ATOM 0 HZ3 LYS A 79 -19.260 -30.730 -10.458 1.00 31.13 H new ATOM 1244 N ALA A 80 -14.959 -28.418 -14.866 1.00 25.45 N ATOM 1245 CA ALA A 80 -14.967 -29.412 -15.932 1.00 34.43 C ATOM 1246 C ALA A 80 -13.582 -29.566 -16.551 1.00 13.22 C ATOM 1247 O ALA A 80 -12.937 -28.579 -16.905 1.00 4.34 O ATOM 1248 CB ALA A 80 -15.985 -29.034 -16.998 1.00 12.05 C ATOM 0 H ALA A 80 -15.590 -27.631 -15.018 1.00 25.45 H new ATOM 0 HA ALA A 80 -15.250 -30.371 -15.498 1.00 34.43 H new ATOM 0 HB1 ALA A 80 -15.980 -29.785 -17.788 1.00 12.05 H new ATOM 0 HB2 ALA A 80 -16.978 -28.983 -16.551 1.00 12.05 H new ATOM 0 HB3 ALA A 80 -15.727 -28.062 -17.419 1.00 12.05 H new ATOM 1254 N HIS A 81 -13.131 -30.809 -16.678 1.00 64.44 N ATOM 1255 CA HIS A 81 -11.821 -31.092 -17.255 1.00 41.31 C ATOM 1256 C HIS A 81 -11.944 -32.040 -18.444 1.00 23.54 C ATOM 1257 O HIS A 81 -12.919 -32.784 -18.558 1.00 40.44 O ATOM 1258 CB HIS A 81 -10.895 -31.696 -16.199 1.00 44.52 C ATOM 1259 CG HIS A 81 -9.449 -31.368 -16.413 1.00 22.20 C ATOM 1260 ND1 HIS A 81 -8.666 -31.999 -17.357 1.00 20.03 N ATOM 1261 CD2 HIS A 81 -8.645 -30.469 -15.800 1.00 4.25 C ATOM 1262 CE1 HIS A 81 -7.442 -31.503 -17.313 1.00 73.13 C ATOM 1263 NE2 HIS A 81 -7.403 -30.572 -16.377 1.00 20.41 N ATOM 0 H HIS A 81 -13.653 -31.637 -16.389 1.00 64.44 H new ATOM 0 HA HIS A 81 -11.395 -30.152 -17.606 1.00 41.31 H new ATOM 0 HB2 HIS A 81 -11.198 -31.339 -15.215 1.00 44.52 H new ATOM 0 HB3 HIS A 81 -11.017 -32.779 -16.197 1.00 44.52 H new ATOM 0 HD2 HIS A 81 -8.927 -29.795 -15.005 1.00 4.25 H new ATOM 0 HE1 HIS A 81 -6.614 -31.807 -17.936 1.00 73.13 H new ATOM 0 HE2 HIS A 81 -6.584 -30.019 -16.124 1.00 20.41 H new TER 1272 HIS A 81