USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 788 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 7 HIS : no HE2:sc= 0.143 K(o=1.4,f=-5.6) USER MOD Set 1.2: A 59 TYR OH : rot -174:sc= 1.27 USER MOD Set 2.1: A 11 MET CE :methyl -133:sc= -0.842 (180deg=-2.53!) USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 HIS : no HD1:sc= -0.0939 K(o=-0.094,f=-0.72) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.0702 (180deg=-0.172) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.23) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0.278 (180deg=0.227) USER MOD Single : A 19 THR OG1 : rot -79:sc= 0.74 USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.083) USER MOD Single : A 25 ASN : amide:sc= 0.58 K(o=0.58,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=0.64) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 78:sc= 0.784 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.474 K(o=-0.47,f=0.046) USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000384) USER MOD Single : A 47 THR OG1 : rot -86:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= -0.0256 (180deg=-0.142) USER MOD Single : A 53 THR OG1 : rot 47:sc= 0.0129 USER MOD Single : A 58 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.045) USER MOD Single : A 63 ASN : amide:sc= -0.0123 X(o=-0.012,f=-0.19) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.02) USER MOD Single : A 76 THR OG1 : rot 80:sc= 0.583 USER MOD Single : A 78 GLN : amide:sc= -1.66! C(o=-1.7!,f=-4.6!) USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 87 ASN : amide:sc= -0.0158 K(o=-0.016,f=-1.5) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.364 -1.047 18.260 1.00 0.00 N ATOM 2 CA MET A 1 20.513 0.050 18.768 1.00 0.00 C ATOM 3 C MET A 1 19.078 -0.463 19.003 1.00 0.00 C ATOM 4 O MET A 1 18.468 -1.060 18.108 1.00 0.00 O ATOM 5 CB MET A 1 20.556 1.282 17.801 1.00 0.00 C ATOM 6 CG MET A 1 20.336 0.984 16.298 1.00 0.00 C ATOM 7 SD MET A 1 18.616 0.627 15.858 1.00 0.00 S ATOM 8 CE MET A 1 18.765 0.233 14.111 1.00 0.00 C ATOM 0 H1 MET A 1 22.283 -0.663 17.961 1.00 0.00 H new ATOM 0 H2 MET A 1 21.511 -1.750 19.013 1.00 0.00 H new ATOM 0 H3 MET A 1 20.898 -1.501 17.449 1.00 0.00 H new ATOM 0 HA MET A 1 20.902 0.392 19.727 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.797 1.996 18.123 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.523 1.772 17.914 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.679 1.839 15.715 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.956 0.134 16.013 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.782 -0.007 13.707 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.176 1.090 13.578 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.428 -0.623 13.986 1.00 0.00 H new ATOM 20 N GLY A 2 18.571 -0.269 20.236 1.00 0.00 N ATOM 21 CA GLY A 2 17.192 -0.603 20.599 1.00 0.00 C ATOM 22 C GLY A 2 16.315 0.623 20.495 1.00 0.00 C ATOM 23 O GLY A 2 16.533 1.581 21.248 1.00 0.00 O ATOM 0 H GLY A 2 19.112 0.125 21.005 1.00 0.00 H new ATOM 0 HA2 GLY A 2 16.814 -1.386 19.942 1.00 0.00 H new ATOM 0 HA3 GLY A 2 17.161 -0.997 21.615 1.00 0.00 H new ATOM 27 N HIS A 3 15.342 0.598 19.552 1.00 0.00 N ATOM 28 CA HIS A 3 14.472 1.750 19.225 1.00 0.00 C ATOM 29 C HIS A 3 13.616 2.175 20.435 1.00 0.00 C ATOM 30 O HIS A 3 12.512 1.675 20.658 1.00 0.00 O ATOM 31 CB HIS A 3 13.577 1.446 17.995 1.00 0.00 C ATOM 32 CG HIS A 3 14.350 1.149 16.739 1.00 0.00 C ATOM 33 ND1 HIS A 3 14.464 -0.117 16.208 1.00 0.00 N ATOM 34 CD2 HIS A 3 15.039 1.962 15.906 1.00 0.00 C ATOM 35 CE1 HIS A 3 15.182 -0.068 15.111 1.00 0.00 C ATOM 36 NE2 HIS A 3 15.544 1.180 14.906 1.00 0.00 N ATOM 0 H HIS A 3 15.139 -0.231 18.993 1.00 0.00 H new ATOM 0 HA HIS A 3 15.123 2.586 18.970 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.936 0.595 18.226 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.922 2.299 17.814 1.00 0.00 H new ATOM 0 HD2 HIS A 3 15.166 3.029 16.012 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.433 -0.910 14.483 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.111 1.511 14.125 1.00 0.00 H new ATOM 45 N HIS A 4 14.206 3.050 21.250 1.00 0.00 N ATOM 46 CA HIS A 4 13.559 3.679 22.423 1.00 0.00 C ATOM 47 C HIS A 4 13.791 5.198 22.387 1.00 0.00 C ATOM 48 O HIS A 4 13.386 5.921 23.303 1.00 0.00 O ATOM 49 CB HIS A 4 14.112 3.069 23.736 1.00 0.00 C ATOM 50 CG HIS A 4 13.844 1.590 23.887 1.00 0.00 C ATOM 51 ND1 HIS A 4 14.845 0.642 23.879 1.00 0.00 N ATOM 52 CD2 HIS A 4 12.686 0.898 24.053 1.00 0.00 C ATOM 53 CE1 HIS A 4 14.319 -0.552 24.025 1.00 0.00 C ATOM 54 NE2 HIS A 4 13.018 -0.425 24.132 1.00 0.00 N ATOM 0 H HIS A 4 15.170 3.354 21.117 1.00 0.00 H new ATOM 0 HA HIS A 4 12.487 3.486 22.388 1.00 0.00 H new ATOM 0 HB2 HIS A 4 15.188 3.239 23.779 1.00 0.00 H new ATOM 0 HB3 HIS A 4 13.672 3.596 24.583 1.00 0.00 H new ATOM 0 HD2 HIS A 4 11.691 1.315 24.111 1.00 0.00 H new ATOM 0 HE1 HIS A 4 14.866 -1.483 24.052 1.00 0.00 H new ATOM 0 HE2 HIS A 4 12.358 -1.193 24.255 1.00 0.00 H new ATOM 63 N HIS A 5 14.438 5.679 21.304 1.00 0.00 N ATOM 64 CA HIS A 5 14.697 7.109 21.069 1.00 0.00 C ATOM 65 C HIS A 5 14.060 7.493 19.741 1.00 0.00 C ATOM 66 O HIS A 5 14.354 6.862 18.713 1.00 0.00 O ATOM 67 CB HIS A 5 16.216 7.400 21.044 1.00 0.00 C ATOM 68 CG HIS A 5 16.926 6.913 22.273 1.00 0.00 C ATOM 69 ND1 HIS A 5 17.839 5.884 22.254 1.00 0.00 N ATOM 70 CD2 HIS A 5 16.818 7.290 23.571 1.00 0.00 C ATOM 71 CE1 HIS A 5 18.253 5.646 23.479 1.00 0.00 C ATOM 72 NE2 HIS A 5 17.653 6.483 24.293 1.00 0.00 N ATOM 0 H HIS A 5 14.797 5.077 20.563 1.00 0.00 H new ATOM 0 HA HIS A 5 14.267 7.699 21.878 1.00 0.00 H new ATOM 0 HB2 HIS A 5 16.656 6.928 20.166 1.00 0.00 H new ATOM 0 HB3 HIS A 5 16.373 8.474 20.942 1.00 0.00 H new ATOM 0 HD2 HIS A 5 16.191 8.078 23.961 1.00 0.00 H new ATOM 0 HE1 HIS A 5 18.967 4.889 23.767 1.00 0.00 H new ATOM 0 HE2 HIS A 5 17.788 6.525 25.303 1.00 0.00 H new ATOM 81 N HIS A 6 13.187 8.524 19.786 1.00 0.00 N ATOM 82 CA HIS A 6 12.363 8.973 18.647 1.00 0.00 C ATOM 83 C HIS A 6 11.343 7.870 18.251 1.00 0.00 C ATOM 84 O HIS A 6 11.227 6.847 18.942 1.00 0.00 O ATOM 85 CB HIS A 6 13.245 9.445 17.444 1.00 0.00 C ATOM 86 CG HIS A 6 14.223 10.546 17.794 1.00 0.00 C ATOM 87 ND1 HIS A 6 13.972 11.883 17.567 1.00 0.00 N ATOM 88 CD2 HIS A 6 15.445 10.501 18.380 1.00 0.00 C ATOM 89 CE1 HIS A 6 14.991 12.602 17.996 1.00 0.00 C ATOM 90 NE2 HIS A 6 15.895 11.789 18.490 1.00 0.00 N ATOM 0 H HIS A 6 13.034 9.075 20.630 1.00 0.00 H new ATOM 0 HA HIS A 6 11.791 9.848 18.956 1.00 0.00 H new ATOM 0 HB2 HIS A 6 13.799 8.591 17.055 1.00 0.00 H new ATOM 0 HB3 HIS A 6 12.593 9.793 16.643 1.00 0.00 H new ATOM 0 HD2 HIS A 6 15.967 9.612 18.701 1.00 0.00 H new ATOM 0 HE1 HIS A 6 15.068 13.678 17.949 1.00 0.00 H new ATOM 0 HE2 HIS A 6 16.789 12.071 18.891 1.00 0.00 H new ATOM 99 N HIS A 7 10.547 8.137 17.193 1.00 0.00 N ATOM 100 CA HIS A 7 9.464 7.239 16.694 1.00 0.00 C ATOM 101 C HIS A 7 8.241 7.208 17.677 1.00 0.00 C ATOM 102 O HIS A 7 7.220 6.557 17.409 1.00 0.00 O ATOM 103 CB HIS A 7 10.020 5.811 16.367 1.00 0.00 C ATOM 104 CG HIS A 7 9.029 4.878 15.730 1.00 0.00 C ATOM 105 ND1 HIS A 7 8.151 4.109 16.461 1.00 0.00 N ATOM 106 CD2 HIS A 7 8.747 4.624 14.435 1.00 0.00 C ATOM 107 CE1 HIS A 7 7.379 3.432 15.650 1.00 0.00 C ATOM 108 NE2 HIS A 7 7.713 3.729 14.423 1.00 0.00 N ATOM 0 H HIS A 7 10.634 8.995 16.648 1.00 0.00 H new ATOM 0 HA HIS A 7 9.089 7.650 15.757 1.00 0.00 H new ATOM 0 HB2 HIS A 7 10.879 5.914 15.703 1.00 0.00 H new ATOM 0 HB3 HIS A 7 10.383 5.358 17.290 1.00 0.00 H new ATOM 0 HD1 HIS A 7 8.109 4.073 17.479 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.243 5.046 13.573 1.00 0.00 H new ATOM 0 HE1 HIS A 7 6.599 2.745 15.945 1.00 0.00 H new ATOM 117 N HIS A 8 8.338 7.957 18.804 1.00 0.00 N ATOM 118 CA HIS A 8 7.233 8.150 19.763 1.00 0.00 C ATOM 119 C HIS A 8 6.074 8.892 19.067 1.00 0.00 C ATOM 120 O HIS A 8 4.892 8.643 19.347 1.00 0.00 O ATOM 121 CB HIS A 8 7.759 8.946 20.999 1.00 0.00 C ATOM 122 CG HIS A 8 6.713 9.288 22.050 1.00 0.00 C ATOM 123 ND1 HIS A 8 6.494 8.538 23.187 1.00 0.00 N ATOM 124 CD2 HIS A 8 5.849 10.335 22.136 1.00 0.00 C ATOM 125 CE1 HIS A 8 5.541 9.107 23.911 1.00 0.00 C ATOM 126 NE2 HIS A 8 5.136 10.194 23.295 1.00 0.00 N ATOM 0 H HIS A 8 9.193 8.445 19.070 1.00 0.00 H new ATOM 0 HA HIS A 8 6.859 7.187 20.110 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.550 8.365 21.474 1.00 0.00 H new ATOM 0 HB3 HIS A 8 8.212 9.873 20.647 1.00 0.00 H new ATOM 0 HD2 HIS A 8 5.745 11.135 21.418 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.160 8.738 24.852 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.409 10.829 23.626 1.00 0.00 H new ATOM 135 N SER A 9 6.456 9.798 18.147 1.00 0.00 N ATOM 136 CA SER A 9 5.532 10.546 17.310 1.00 0.00 C ATOM 137 C SER A 9 4.934 9.622 16.235 1.00 0.00 C ATOM 138 O SER A 9 5.495 9.458 15.151 1.00 0.00 O ATOM 139 CB SER A 9 6.246 11.752 16.669 1.00 0.00 C ATOM 140 OG SER A 9 6.815 12.581 17.662 1.00 0.00 O ATOM 0 H SER A 9 7.434 10.026 17.971 1.00 0.00 H new ATOM 0 HA SER A 9 4.718 10.927 17.927 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.024 11.402 15.991 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.537 12.325 16.072 1.00 0.00 H new ATOM 0 HG SER A 9 7.265 13.340 17.236 1.00 0.00 H new ATOM 146 N HIS A 10 3.815 8.981 16.586 1.00 0.00 N ATOM 147 CA HIS A 10 3.007 8.140 15.671 1.00 0.00 C ATOM 148 C HIS A 10 1.970 9.003 14.915 1.00 0.00 C ATOM 149 O HIS A 10 0.959 8.489 14.420 1.00 0.00 O ATOM 150 CB HIS A 10 2.316 7.014 16.500 1.00 0.00 C ATOM 151 CG HIS A 10 1.495 7.512 17.674 1.00 0.00 C ATOM 152 ND1 HIS A 10 1.927 7.457 18.984 1.00 0.00 N ATOM 153 CD2 HIS A 10 0.254 8.056 17.729 1.00 0.00 C ATOM 154 CE1 HIS A 10 0.990 7.935 19.779 1.00 0.00 C ATOM 155 NE2 HIS A 10 -0.033 8.307 19.046 1.00 0.00 N ATOM 0 H HIS A 10 3.431 9.027 17.530 1.00 0.00 H new ATOM 0 HA HIS A 10 3.653 7.682 14.922 1.00 0.00 H new ATOM 0 HB2 HIS A 10 1.669 6.438 15.838 1.00 0.00 H new ATOM 0 HB3 HIS A 10 3.081 6.332 16.871 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.392 8.256 16.887 1.00 0.00 H new ATOM 0 HE1 HIS A 10 1.054 8.008 20.855 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -0.899 8.715 19.398 1.00 0.00 H new ATOM 164 N MET A 11 2.269 10.312 14.802 1.00 0.00 N ATOM 165 CA MET A 11 1.354 11.321 14.278 1.00 0.00 C ATOM 166 C MET A 11 1.153 11.151 12.764 1.00 0.00 C ATOM 167 O MET A 11 2.098 10.834 12.029 1.00 0.00 O ATOM 168 CB MET A 11 1.896 12.745 14.585 1.00 0.00 C ATOM 169 CG MET A 11 2.181 13.023 16.071 1.00 0.00 C ATOM 170 SD MET A 11 2.803 14.696 16.372 1.00 0.00 S ATOM 171 CE MET A 11 4.238 14.772 15.289 1.00 0.00 C ATOM 0 H MET A 11 3.172 10.695 15.080 1.00 0.00 H new ATOM 0 HA MET A 11 0.389 11.191 14.768 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.815 12.898 14.019 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.174 13.478 14.225 1.00 0.00 H new ATOM 0 HG2 MET A 11 1.266 12.873 16.645 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.909 12.299 16.437 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.086 15.183 15.837 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.483 13.769 14.939 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.015 15.410 14.434 1.00 0.00 H new ATOM 181 N LYS A 12 -0.094 11.348 12.330 1.00 0.00 N ATOM 182 CA LYS A 12 -0.470 11.403 10.905 1.00 0.00 C ATOM 183 C LYS A 12 0.133 12.674 10.282 1.00 0.00 C ATOM 184 O LYS A 12 0.549 12.687 9.123 1.00 0.00 O ATOM 185 CB LYS A 12 -2.016 11.395 10.779 1.00 0.00 C ATOM 186 CG LYS A 12 -2.684 10.228 11.541 1.00 0.00 C ATOM 187 CD LYS A 12 -4.217 10.371 11.658 1.00 0.00 C ATOM 188 CE LYS A 12 -4.828 9.254 12.524 1.00 0.00 C ATOM 189 NZ LYS A 12 -4.321 9.288 13.919 1.00 0.00 N ATOM 0 H LYS A 12 -0.885 11.476 12.962 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.082 10.534 10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -2.409 12.339 11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.288 11.335 9.725 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.451 9.292 11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.255 10.164 12.541 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.460 11.341 12.091 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.662 10.345 10.663 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.913 9.354 12.531 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.600 8.285 12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.855 8.610 14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.313 9.033 13.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.439 10.245 14.308 1.00 0.00 H new ATOM 203 N ARG A 13 0.179 13.741 11.102 1.00 0.00 N ATOM 204 CA ARG A 13 0.851 15.005 10.767 1.00 0.00 C ATOM 205 C ARG A 13 2.383 14.809 10.840 1.00 0.00 C ATOM 206 O ARG A 13 2.865 13.902 11.543 1.00 0.00 O ATOM 207 CB ARG A 13 0.391 16.126 11.735 1.00 0.00 C ATOM 208 CG ARG A 13 0.915 17.542 11.382 1.00 0.00 C ATOM 209 CD ARG A 13 0.417 18.627 12.344 1.00 0.00 C ATOM 210 NE ARG A 13 -1.053 18.788 12.323 1.00 0.00 N ATOM 211 CZ ARG A 13 -1.729 19.814 12.869 1.00 0.00 C ATOM 212 NH1 ARG A 13 -1.086 20.797 13.496 1.00 0.00 N ATOM 213 NH2 ARG A 13 -3.049 19.852 12.768 1.00 0.00 N ATOM 0 H ARG A 13 -0.255 13.747 12.025 1.00 0.00 H new ATOM 0 HA ARG A 13 0.584 15.302 9.753 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.699 16.150 11.750 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.718 15.873 12.744 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.005 17.531 11.389 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.605 17.795 10.368 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.735 18.381 13.357 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.885 19.577 12.085 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.598 18.062 11.857 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.069 20.777 13.566 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.611 21.570 13.906 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.545 19.107 12.279 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.570 20.627 13.179 1.00 0.00 H new ATOM 227 N SER A 14 3.116 15.630 10.062 1.00 0.00 N ATOM 228 CA SER A 14 4.597 15.653 9.977 1.00 0.00 C ATOM 229 C SER A 14 5.147 14.526 9.065 1.00 0.00 C ATOM 230 O SER A 14 6.275 14.628 8.557 1.00 0.00 O ATOM 231 CB SER A 14 5.260 15.662 11.382 1.00 0.00 C ATOM 232 OG SER A 14 4.776 16.743 12.179 1.00 0.00 O ATOM 0 H SER A 14 2.681 16.322 9.452 1.00 0.00 H new ATOM 0 HA SER A 14 4.874 16.593 9.500 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.059 14.717 11.887 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.342 15.743 11.275 1.00 0.00 H new ATOM 0 HG SER A 14 5.210 16.722 13.057 1.00 0.00 H new ATOM 238 N GLY A 15 4.351 13.460 8.865 1.00 0.00 N ATOM 239 CA GLY A 15 4.573 12.512 7.774 1.00 0.00 C ATOM 240 C GLY A 15 3.971 13.041 6.475 1.00 0.00 C ATOM 241 O GLY A 15 3.148 13.966 6.509 1.00 0.00 O ATOM 0 H GLY A 15 3.546 13.239 9.451 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.642 12.342 7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.126 11.550 8.024 1.00 0.00 H new ATOM 245 N ARG A 16 4.355 12.466 5.328 1.00 0.00 N ATOM 246 CA ARG A 16 3.928 12.984 4.010 1.00 0.00 C ATOM 247 C ARG A 16 2.620 12.308 3.552 1.00 0.00 C ATOM 248 O ARG A 16 2.570 11.087 3.397 1.00 0.00 O ATOM 249 CB ARG A 16 5.052 12.787 2.949 1.00 0.00 C ATOM 250 CG ARG A 16 4.715 13.314 1.527 1.00 0.00 C ATOM 251 CD ARG A 16 4.535 14.840 1.477 1.00 0.00 C ATOM 252 NE ARG A 16 5.770 15.551 1.861 1.00 0.00 N ATOM 253 CZ ARG A 16 5.829 16.792 2.374 1.00 0.00 C ATOM 254 NH1 ARG A 16 4.724 17.497 2.595 1.00 0.00 N ATOM 255 NH2 ARG A 16 7.015 17.321 2.657 1.00 0.00 N ATOM 0 H ARG A 16 4.958 11.645 5.280 1.00 0.00 H new ATOM 0 HA ARG A 16 3.739 14.053 4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.954 13.287 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.283 11.724 2.880 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.511 13.025 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.801 12.835 1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.242 15.139 0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.725 15.132 2.145 1.00 0.00 H new ATOM 0 HE ARG A 16 6.653 15.059 1.726 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.812 17.098 2.375 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.788 18.437 2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.866 16.786 2.484 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.074 18.262 3.047 1.00 0.00 H new ATOM 269 N GLU A 17 1.564 13.113 3.353 1.00 0.00 N ATOM 270 CA GLU A 17 0.328 12.649 2.723 1.00 0.00 C ATOM 271 C GLU A 17 0.567 12.600 1.196 1.00 0.00 C ATOM 272 O GLU A 17 0.737 13.645 0.558 1.00 0.00 O ATOM 273 CB GLU A 17 -0.831 13.612 3.073 1.00 0.00 C ATOM 274 CG GLU A 17 -2.193 13.244 2.456 1.00 0.00 C ATOM 275 CD GLU A 17 -3.240 14.344 2.668 1.00 0.00 C ATOM 276 OE1 GLU A 17 -3.118 15.410 2.027 1.00 0.00 O ATOM 277 OE2 GLU A 17 -4.168 14.171 3.487 1.00 0.00 O ATOM 0 H GLU A 17 1.547 14.096 3.624 1.00 0.00 H new ATOM 0 HA GLU A 17 0.055 11.657 3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.938 13.648 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.560 14.616 2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.069 13.063 1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.551 12.314 2.898 1.00 0.00 H new ATOM 284 N ILE A 18 0.625 11.380 0.649 1.00 0.00 N ATOM 285 CA ILE A 18 0.876 11.093 -0.780 1.00 0.00 C ATOM 286 C ILE A 18 -0.434 10.678 -1.470 1.00 0.00 C ATOM 287 O ILE A 18 -1.466 10.515 -0.815 1.00 0.00 O ATOM 288 CB ILE A 18 1.937 9.923 -0.918 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.420 8.608 -0.219 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.320 10.354 -0.363 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.369 7.425 -0.286 1.00 0.00 C ATOM 0 H ILE A 18 0.495 10.533 1.202 1.00 0.00 H new ATOM 0 HA ILE A 18 1.266 11.993 -1.256 1.00 0.00 H new ATOM 0 HB ILE A 18 2.063 9.706 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.214 8.829 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.473 8.320 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.028 9.532 -0.471 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.682 11.219 -0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.224 10.614 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.922 6.571 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.558 7.169 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.310 7.685 0.200 1.00 0.00 H new ATOM 303 N THR A 19 -0.376 10.507 -2.801 1.00 0.00 N ATOM 304 CA THR A 19 -1.466 9.890 -3.577 1.00 0.00 C ATOM 305 C THR A 19 -1.213 8.375 -3.672 1.00 0.00 C ATOM 306 O THR A 19 -0.119 7.900 -3.313 1.00 0.00 O ATOM 307 CB THR A 19 -1.564 10.499 -5.024 1.00 0.00 C ATOM 308 OG1 THR A 19 -0.395 10.170 -5.790 1.00 0.00 O ATOM 309 CG2 THR A 19 -1.725 12.028 -4.995 1.00 0.00 C ATOM 0 H THR A 19 0.423 10.791 -3.368 1.00 0.00 H new ATOM 0 HA THR A 19 -2.409 10.090 -3.068 1.00 0.00 H new ATOM 0 HB THR A 19 -2.449 10.065 -5.489 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.340 10.768 -5.539 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.789 12.407 -6.015 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.635 12.288 -4.454 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.866 12.475 -4.495 1.00 0.00 H new ATOM 317 N TRP A 20 -2.235 7.630 -4.146 1.00 0.00 N ATOM 318 CA TRP A 20 -2.089 6.214 -4.536 1.00 0.00 C ATOM 319 C TRP A 20 -0.993 6.088 -5.616 1.00 0.00 C ATOM 320 O TRP A 20 -0.172 5.189 -5.543 1.00 0.00 O ATOM 321 CB TRP A 20 -3.446 5.627 -5.037 1.00 0.00 C ATOM 322 CG TRP A 20 -3.380 4.195 -5.554 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.464 3.788 -6.855 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.219 2.991 -4.781 1.00 0.00 C ATOM 325 NE1 TRP A 20 -3.385 2.423 -6.933 1.00 0.00 N ATOM 326 CE2 TRP A 20 -3.233 1.912 -5.680 1.00 0.00 C ATOM 327 CE3 TRP A 20 -3.074 2.721 -3.427 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -3.108 0.590 -5.268 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -2.941 1.411 -3.017 1.00 0.00 C ATOM 330 CH2 TRP A 20 -2.963 0.358 -3.932 1.00 0.00 C ATOM 0 H TRP A 20 -3.180 7.993 -4.268 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.791 5.634 -3.662 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.166 5.669 -4.220 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.829 6.267 -5.832 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.577 4.449 -7.702 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -3.432 1.876 -7.793 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -3.065 3.525 -2.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.125 -0.223 -5.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.817 1.196 -1.966 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.864 -0.657 -3.577 1.00 0.00 H new ATOM 341 N LYS A 21 -0.990 7.035 -6.581 1.00 0.00 N ATOM 342 CA LYS A 21 0.020 7.125 -7.657 1.00 0.00 C ATOM 343 C LYS A 21 1.463 7.205 -7.106 1.00 0.00 C ATOM 344 O LYS A 21 2.328 6.412 -7.519 1.00 0.00 O ATOM 345 CB LYS A 21 -0.307 8.342 -8.568 1.00 0.00 C ATOM 346 CG LYS A 21 0.695 8.591 -9.712 1.00 0.00 C ATOM 347 CD LYS A 21 0.214 9.706 -10.673 1.00 0.00 C ATOM 348 CE LYS A 21 1.231 10.035 -11.771 1.00 0.00 C ATOM 349 NZ LYS A 21 2.485 10.591 -11.217 1.00 0.00 N ATOM 0 H LYS A 21 -1.698 7.767 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.027 6.209 -8.247 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.298 8.198 -8.999 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.356 9.237 -7.948 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.663 8.867 -9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.842 7.668 -10.273 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.724 9.399 -11.135 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.005 10.608 -10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.455 9.133 -12.340 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.794 10.751 -12.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.083 10.940 -11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.262 11.376 -10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.993 9.848 -10.696 1.00 0.00 H new ATOM 363 N ASP A 22 1.707 8.135 -6.148 1.00 0.00 N ATOM 364 CA ASP A 22 3.039 8.307 -5.512 1.00 0.00 C ATOM 365 C ASP A 22 3.428 7.039 -4.751 1.00 0.00 C ATOM 366 O ASP A 22 4.602 6.638 -4.757 1.00 0.00 O ATOM 367 CB ASP A 22 3.070 9.503 -4.523 1.00 0.00 C ATOM 368 CG ASP A 22 2.865 10.866 -5.193 1.00 0.00 C ATOM 369 OD1 ASP A 22 3.623 11.191 -6.127 1.00 0.00 O ATOM 370 OD2 ASP A 22 1.935 11.612 -4.800 1.00 0.00 O ATOM 0 H ASP A 22 0.997 8.779 -5.798 1.00 0.00 H new ATOM 0 HA ASP A 22 3.747 8.506 -6.317 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.296 9.359 -3.769 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.027 9.506 -4.001 1.00 0.00 H new ATOM 375 N PHE A 23 2.412 6.435 -4.093 1.00 0.00 N ATOM 376 CA PHE A 23 2.564 5.173 -3.368 1.00 0.00 C ATOM 377 C PHE A 23 3.137 4.080 -4.285 1.00 0.00 C ATOM 378 O PHE A 23 4.125 3.447 -3.926 1.00 0.00 O ATOM 379 CB PHE A 23 1.233 4.699 -2.712 1.00 0.00 C ATOM 380 CG PHE A 23 1.331 3.299 -2.122 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.272 3.013 -1.132 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.530 2.262 -2.594 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.400 1.738 -0.634 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.663 0.988 -2.098 1.00 0.00 C ATOM 385 CZ PHE A 23 1.597 0.729 -1.119 1.00 0.00 C ATOM 0 H PHE A 23 1.467 6.817 -4.056 1.00 0.00 H new ATOM 0 HA PHE A 23 3.271 5.357 -2.559 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.951 5.400 -1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.438 4.719 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.906 3.801 -0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.205 2.462 -3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.128 1.528 0.135 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.037 0.192 -2.474 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.701 -0.273 -0.729 1.00 0.00 H new ATOM 395 N VAL A 24 2.529 3.901 -5.470 1.00 0.00 N ATOM 396 CA VAL A 24 2.936 2.857 -6.425 1.00 0.00 C ATOM 397 C VAL A 24 4.410 3.021 -6.820 1.00 0.00 C ATOM 398 O VAL A 24 5.239 2.184 -6.486 1.00 0.00 O ATOM 399 CB VAL A 24 2.048 2.866 -7.725 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.446 1.710 -8.674 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.551 2.817 -7.359 1.00 0.00 C ATOM 0 H VAL A 24 1.747 4.472 -5.791 1.00 0.00 H new ATOM 0 HA VAL A 24 2.797 1.901 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 24 2.226 3.799 -8.260 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.818 1.738 -9.565 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.491 1.820 -8.963 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.309 0.757 -8.163 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.047 2.824 -8.270 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.344 1.907 -6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.296 3.685 -6.751 1.00 0.00 H new ATOM 411 N ASN A 25 4.718 4.160 -7.449 1.00 0.00 N ATOM 412 CA ASN A 25 6.014 4.378 -8.113 1.00 0.00 C ATOM 413 C ASN A 25 7.171 4.408 -7.113 1.00 0.00 C ATOM 414 O ASN A 25 8.126 3.637 -7.241 1.00 0.00 O ATOM 415 CB ASN A 25 6.002 5.683 -8.945 1.00 0.00 C ATOM 416 CG ASN A 25 5.011 5.632 -10.100 1.00 0.00 C ATOM 417 OD1 ASN A 25 5.319 5.110 -11.172 1.00 0.00 O ATOM 418 ND2 ASN A 25 3.833 6.201 -9.914 1.00 0.00 N ATOM 0 H ASN A 25 4.082 4.955 -7.514 1.00 0.00 H new ATOM 0 HA ASN A 25 6.169 3.533 -8.784 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.754 6.522 -8.295 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.002 5.869 -9.337 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.149 6.216 -10.670 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.608 6.625 -9.014 1.00 0.00 H new ATOM 425 N ASN A 26 7.049 5.268 -6.098 1.00 0.00 N ATOM 426 CA ASN A 26 8.165 5.622 -5.203 1.00 0.00 C ATOM 427 C ASN A 26 8.324 4.608 -4.057 1.00 0.00 C ATOM 428 O ASN A 26 9.402 4.519 -3.460 1.00 0.00 O ATOM 429 CB ASN A 26 7.937 7.042 -4.619 1.00 0.00 C ATOM 430 CG ASN A 26 7.716 8.099 -5.708 1.00 0.00 C ATOM 431 OD1 ASN A 26 6.590 8.308 -6.161 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.779 8.761 -6.139 1.00 0.00 N ATOM 0 H ASN A 26 6.175 5.741 -5.870 1.00 0.00 H new ATOM 0 HA ASN A 26 9.082 5.604 -5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.073 7.023 -3.955 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.798 7.324 -4.013 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.679 9.468 -6.867 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.698 8.564 -5.743 1.00 0.00 H new ATOM 439 N TYR A 27 7.255 3.842 -3.730 1.00 0.00 N ATOM 440 CA TYR A 27 7.234 2.998 -2.508 1.00 0.00 C ATOM 441 C TYR A 27 6.978 1.502 -2.817 1.00 0.00 C ATOM 442 O TYR A 27 7.888 0.659 -2.642 1.00 0.00 O ATOM 443 CB TYR A 27 6.191 3.558 -1.488 1.00 0.00 C ATOM 444 CG TYR A 27 6.414 5.041 -1.134 1.00 0.00 C ATOM 445 CD1 TYR A 27 7.370 5.431 -0.195 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.686 6.055 -1.763 1.00 0.00 C ATOM 447 CE1 TYR A 27 7.576 6.768 0.096 1.00 0.00 C ATOM 448 CE2 TYR A 27 5.893 7.384 -1.470 1.00 0.00 C ATOM 449 CZ TYR A 27 6.834 7.732 -0.543 1.00 0.00 C ATOM 450 OH TYR A 27 7.039 9.056 -0.252 1.00 0.00 O ATOM 0 H TYR A 27 6.403 3.790 -4.289 1.00 0.00 H new ATOM 0 HA TYR A 27 8.227 3.046 -2.060 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.190 3.438 -1.901 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.232 2.964 -0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.957 4.679 0.311 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.941 5.789 -2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.320 7.054 0.825 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.315 8.147 -1.970 1.00 0.00 H new ATOM 0 HH TYR A 27 6.434 9.607 -0.791 1.00 0.00 H new ATOM 460 N LEU A 28 5.737 1.182 -3.256 1.00 0.00 N ATOM 461 CA LEU A 28 5.268 -0.206 -3.460 1.00 0.00 C ATOM 462 C LEU A 28 6.155 -0.958 -4.470 1.00 0.00 C ATOM 463 O LEU A 28 6.742 -1.992 -4.129 1.00 0.00 O ATOM 464 CB LEU A 28 3.787 -0.224 -3.926 1.00 0.00 C ATOM 465 CG LEU A 28 3.135 -1.642 -4.068 1.00 0.00 C ATOM 466 CD1 LEU A 28 3.105 -2.404 -2.721 1.00 0.00 C ATOM 467 CD2 LEU A 28 1.727 -1.544 -4.676 1.00 0.00 C ATOM 0 H LEU A 28 5.032 1.884 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 28 5.339 -0.720 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.196 0.358 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.722 0.283 -4.889 1.00 0.00 H new ATOM 0 HG LEU A 28 3.762 -2.217 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.645 -3.381 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.123 -2.533 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.526 -1.835 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.298 -2.542 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.095 -0.932 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.788 -1.088 -5.664 1.00 0.00 H new ATOM 479 N SER A 29 6.277 -0.386 -5.686 1.00 0.00 N ATOM 480 CA SER A 29 7.082 -0.949 -6.794 1.00 0.00 C ATOM 481 C SER A 29 8.578 -1.088 -6.439 1.00 0.00 C ATOM 482 O SER A 29 9.295 -1.855 -7.085 1.00 0.00 O ATOM 483 CB SER A 29 6.935 -0.051 -8.044 1.00 0.00 C ATOM 484 OG SER A 29 5.573 0.124 -8.379 1.00 0.00 O ATOM 0 H SER A 29 5.815 0.490 -5.930 1.00 0.00 H new ATOM 0 HA SER A 29 6.702 -1.952 -6.989 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.396 0.919 -7.857 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.466 -0.499 -8.884 1.00 0.00 H new ATOM 0 HG SER A 29 5.172 0.789 -7.781 1.00 0.00 H new ATOM 490 N LYS A 30 9.034 -0.336 -5.420 1.00 0.00 N ATOM 491 CA LYS A 30 10.445 -0.319 -4.982 1.00 0.00 C ATOM 492 C LYS A 30 10.694 -1.312 -3.835 1.00 0.00 C ATOM 493 O LYS A 30 11.846 -1.545 -3.467 1.00 0.00 O ATOM 494 CB LYS A 30 10.838 1.119 -4.549 1.00 0.00 C ATOM 495 CG LYS A 30 10.663 2.182 -5.651 1.00 0.00 C ATOM 496 CD LYS A 30 11.407 1.829 -6.961 1.00 0.00 C ATOM 497 CE LYS A 30 11.164 2.857 -8.075 1.00 0.00 C ATOM 498 NZ LYS A 30 11.736 2.404 -9.371 1.00 0.00 N ATOM 0 H LYS A 30 8.432 0.280 -4.874 1.00 0.00 H new ATOM 0 HA LYS A 30 11.067 -0.629 -5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.235 1.404 -3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.878 1.117 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.601 2.303 -5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.025 3.142 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.476 1.763 -6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.085 0.845 -7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.093 3.026 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.609 3.811 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.554 3.122 -10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.762 2.267 -9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.293 1.506 -9.651 1.00 0.00 H new ATOM 512 N GLY A 31 9.600 -1.885 -3.285 1.00 0.00 N ATOM 513 CA GLY A 31 9.664 -2.828 -2.167 1.00 0.00 C ATOM 514 C GLY A 31 10.177 -2.226 -0.865 1.00 0.00 C ATOM 515 O GLY A 31 10.633 -2.960 0.019 1.00 0.00 O ATOM 0 H GLY A 31 8.651 -1.701 -3.611 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.669 -3.238 -1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.309 -3.661 -2.447 1.00 0.00 H new ATOM 519 N VAL A 32 10.089 -0.880 -0.729 1.00 0.00 N ATOM 520 CA VAL A 32 10.528 -0.172 0.497 1.00 0.00 C ATOM 521 C VAL A 32 9.450 -0.251 1.596 1.00 0.00 C ATOM 522 O VAL A 32 9.681 0.182 2.727 1.00 0.00 O ATOM 523 CB VAL A 32 10.898 1.338 0.228 1.00 0.00 C ATOM 524 CG1 VAL A 32 11.899 1.478 -0.938 1.00 0.00 C ATOM 525 CG2 VAL A 32 9.649 2.222 0.006 1.00 0.00 C ATOM 0 H VAL A 32 9.718 -0.264 -1.453 1.00 0.00 H new ATOM 0 HA VAL A 32 11.431 -0.680 0.835 1.00 0.00 H new ATOM 0 HB VAL A 32 11.386 1.703 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.131 2.532 -1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.814 0.937 -0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.460 1.064 -1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.959 3.251 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.092 1.854 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.015 2.184 0.892 1.00 0.00 H new ATOM 535 N VAL A 33 8.283 -0.823 1.250 1.00 0.00 N ATOM 536 CA VAL A 33 7.126 -0.894 2.144 1.00 0.00 C ATOM 537 C VAL A 33 7.146 -2.231 2.895 1.00 0.00 C ATOM 538 O VAL A 33 7.301 -3.295 2.277 1.00 0.00 O ATOM 539 CB VAL A 33 5.762 -0.749 1.367 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.570 -0.612 2.344 1.00 0.00 C ATOM 541 CG2 VAL A 33 5.806 0.435 0.386 1.00 0.00 C ATOM 0 H VAL A 33 8.121 -1.249 0.338 1.00 0.00 H new ATOM 0 HA VAL A 33 7.196 -0.061 2.843 1.00 0.00 H new ATOM 0 HB VAL A 33 5.615 -1.661 0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.644 -0.514 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.515 -1.497 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.710 0.272 2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.852 0.511 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.993 1.357 0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.605 0.277 -0.339 1.00 0.00 H new ATOM 551 N ASP A 34 6.998 -2.155 4.217 1.00 0.00 N ATOM 552 CA ASP A 34 6.946 -3.311 5.113 1.00 0.00 C ATOM 553 C ASP A 34 5.516 -3.871 5.155 1.00 0.00 C ATOM 554 O ASP A 34 5.298 -5.060 4.938 1.00 0.00 O ATOM 555 CB ASP A 34 7.397 -2.876 6.532 1.00 0.00 C ATOM 556 CG ASP A 34 7.345 -4.015 7.551 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.236 -4.879 7.516 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.406 -4.065 8.379 1.00 0.00 O ATOM 0 H ASP A 34 6.909 -1.265 4.708 1.00 0.00 H new ATOM 0 HA ASP A 34 7.614 -4.091 4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.414 -2.488 6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.761 -2.060 6.875 1.00 0.00 H new ATOM 563 N ARG A 35 4.566 -2.973 5.424 1.00 0.00 N ATOM 564 CA ARG A 35 3.147 -3.310 5.621 1.00 0.00 C ATOM 565 C ARG A 35 2.287 -2.059 5.366 1.00 0.00 C ATOM 566 O ARG A 35 2.787 -0.919 5.390 1.00 0.00 O ATOM 567 CB ARG A 35 2.911 -3.866 7.061 1.00 0.00 C ATOM 568 CG ARG A 35 3.140 -2.826 8.177 1.00 0.00 C ATOM 569 CD ARG A 35 3.070 -3.384 9.601 1.00 0.00 C ATOM 570 NE ARG A 35 3.202 -2.304 10.596 1.00 0.00 N ATOM 571 CZ ARG A 35 3.745 -2.422 11.812 1.00 0.00 C ATOM 572 NH1 ARG A 35 4.227 -3.581 12.243 1.00 0.00 N ATOM 573 NH2 ARG A 35 3.764 -1.370 12.606 1.00 0.00 N ATOM 0 H ARG A 35 4.760 -1.976 5.513 1.00 0.00 H new ATOM 0 HA ARG A 35 2.858 -4.088 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.890 -4.242 7.132 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.576 -4.714 7.226 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.117 -2.366 8.030 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.397 -2.035 8.075 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.123 -3.904 9.746 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.862 -4.118 9.748 1.00 0.00 H new ATOM 0 HE ARG A 35 2.847 -1.385 10.333 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.188 -4.405 11.643 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.637 -3.648 13.175 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.369 -0.485 12.289 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.174 -1.441 13.537 1.00 0.00 H new ATOM 587 N LEU A 36 1.000 -2.286 5.109 1.00 0.00 N ATOM 588 CA LEU A 36 0.020 -1.234 4.858 1.00 0.00 C ATOM 589 C LEU A 36 -1.053 -1.288 5.936 1.00 0.00 C ATOM 590 O LEU A 36 -1.943 -2.145 5.896 1.00 0.00 O ATOM 591 CB LEU A 36 -0.585 -1.414 3.443 1.00 0.00 C ATOM 592 CG LEU A 36 0.383 -1.094 2.271 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.275 -1.393 0.914 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.895 0.369 2.361 1.00 0.00 C ATOM 0 H LEU A 36 0.603 -3.225 5.069 1.00 0.00 H new ATOM 0 HA LEU A 36 0.496 -0.254 4.895 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.930 -2.443 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.463 -0.774 3.355 1.00 0.00 H new ATOM 0 HG LEU A 36 1.252 -1.747 2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.425 -1.160 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.545 -2.448 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.172 -0.783 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.571 0.570 1.530 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.049 1.054 2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.425 0.512 3.303 1.00 0.00 H new ATOM 606 N GLU A 37 -0.960 -0.359 6.888 1.00 0.00 N ATOM 607 CA GLU A 37 -1.852 -0.301 8.043 1.00 0.00 C ATOM 608 C GLU A 37 -3.096 0.518 7.685 1.00 0.00 C ATOM 609 O GLU A 37 -3.016 1.736 7.546 1.00 0.00 O ATOM 610 CB GLU A 37 -1.107 0.315 9.245 1.00 0.00 C ATOM 611 CG GLU A 37 0.161 -0.470 9.643 1.00 0.00 C ATOM 612 CD GLU A 37 0.987 0.260 10.694 1.00 0.00 C ATOM 613 OE1 GLU A 37 1.579 1.290 10.350 1.00 0.00 O ATOM 614 OE2 GLU A 37 1.036 -0.170 11.865 1.00 0.00 O ATOM 0 H GLU A 37 -0.257 0.380 6.878 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.169 -1.307 8.319 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.830 1.342 9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.783 0.358 10.099 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.126 -1.449 10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.773 -0.641 8.757 1.00 0.00 H new ATOM 621 N VAL A 38 -4.241 -0.151 7.542 1.00 0.00 N ATOM 622 CA VAL A 38 -5.491 0.499 7.147 1.00 0.00 C ATOM 623 C VAL A 38 -6.131 1.058 8.421 1.00 0.00 C ATOM 624 O VAL A 38 -6.837 0.343 9.151 1.00 0.00 O ATOM 625 CB VAL A 38 -6.441 -0.504 6.408 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.716 0.197 5.897 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.696 -1.210 5.258 1.00 0.00 C ATOM 0 H VAL A 38 -4.328 -1.156 7.696 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.300 1.306 6.440 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.753 -1.261 7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.352 -0.529 5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.257 0.627 6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.441 0.989 5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.373 -1.902 4.757 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.343 -0.467 4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.845 -1.761 5.659 1.00 0.00 H new ATOM 637 N VAL A 39 -5.825 2.327 8.706 1.00 0.00 N ATOM 638 CA VAL A 39 -6.116 2.961 9.989 1.00 0.00 C ATOM 639 C VAL A 39 -7.580 3.432 10.026 1.00 0.00 C ATOM 640 O VAL A 39 -7.963 4.370 9.301 1.00 0.00 O ATOM 641 CB VAL A 39 -5.113 4.145 10.257 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.412 4.862 11.591 1.00 0.00 C ATOM 643 CG2 VAL A 39 -3.640 3.650 10.210 1.00 0.00 C ATOM 0 H VAL A 39 -5.363 2.948 8.042 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.981 2.232 10.788 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.254 4.874 9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.697 5.672 11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.422 5.270 11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.328 4.151 12.413 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.968 4.488 10.398 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.489 2.885 10.972 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.429 3.229 9.227 1.00 0.00 H new ATOM 653 N ASN A 40 -8.383 2.723 10.864 1.00 0.00 N ATOM 654 CA ASN A 40 -9.839 2.923 11.034 1.00 0.00 C ATOM 655 C ASN A 40 -10.611 2.902 9.694 1.00 0.00 C ATOM 656 O ASN A 40 -11.695 3.489 9.585 1.00 0.00 O ATOM 657 CB ASN A 40 -10.116 4.220 11.853 1.00 0.00 C ATOM 658 CG ASN A 40 -9.680 4.088 13.317 1.00 0.00 C ATOM 659 OD1 ASN A 40 -10.470 3.710 14.178 1.00 0.00 O ATOM 660 ND2 ASN A 40 -8.420 4.364 13.602 1.00 0.00 N ATOM 0 H ASN A 40 -8.019 1.976 11.455 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.221 2.074 11.601 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.590 5.057 11.393 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.180 4.452 11.813 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.080 4.265 14.559 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.787 4.676 12.865 1.00 0.00 H new ATOM 667 N LYS A 41 -10.040 2.172 8.696 1.00 0.00 N ATOM 668 CA LYS A 41 -10.551 2.083 7.303 1.00 0.00 C ATOM 669 C LYS A 41 -10.537 3.434 6.542 1.00 0.00 C ATOM 670 O LYS A 41 -10.808 3.465 5.342 1.00 0.00 O ATOM 671 CB LYS A 41 -11.966 1.441 7.258 1.00 0.00 C ATOM 672 CG LYS A 41 -12.036 -0.022 7.763 1.00 0.00 C ATOM 673 CD LYS A 41 -13.423 -0.677 7.509 1.00 0.00 C ATOM 674 CE LYS A 41 -14.599 0.130 8.098 1.00 0.00 C ATOM 675 NZ LYS A 41 -14.473 0.329 9.564 1.00 0.00 N ATOM 0 H LYS A 41 -9.195 1.619 8.843 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.851 1.432 6.779 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.644 2.049 7.857 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.331 1.473 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.264 -0.611 7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.818 -0.045 8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.572 -0.791 6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.428 -1.679 7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.652 1.101 7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.534 -0.387 7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.295 0.861 9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.432 -0.596 10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.603 0.861 9.769 1.00 0.00 H new ATOM 689 N ARG A 42 -10.166 4.518 7.231 1.00 0.00 N ATOM 690 CA ARG A 42 -10.272 5.898 6.730 1.00 0.00 C ATOM 691 C ARG A 42 -9.164 6.189 5.714 1.00 0.00 C ATOM 692 O ARG A 42 -9.389 6.832 4.676 1.00 0.00 O ATOM 693 CB ARG A 42 -10.192 6.855 7.946 1.00 0.00 C ATOM 694 CG ARG A 42 -10.289 8.363 7.626 1.00 0.00 C ATOM 695 CD ARG A 42 -10.371 9.218 8.903 1.00 0.00 C ATOM 696 NE ARG A 42 -11.556 8.870 9.724 1.00 0.00 N ATOM 697 CZ ARG A 42 -11.639 8.990 11.058 1.00 0.00 C ATOM 698 NH1 ARG A 42 -10.624 9.464 11.763 1.00 0.00 N ATOM 699 NH2 ARG A 42 -12.757 8.642 11.682 1.00 0.00 N ATOM 0 H ARG A 42 -9.775 4.463 8.172 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.221 6.043 6.213 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.993 6.598 8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.251 6.673 8.465 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.420 8.666 7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.169 8.547 7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.466 9.077 9.493 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.414 10.273 8.632 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.375 8.510 9.235 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.763 9.744 11.293 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.703 9.549 12.776 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.549 8.285 11.148 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.824 8.732 12.696 1.00 0.00 H new ATOM 713 N PHE A 43 -7.974 5.657 6.011 1.00 0.00 N ATOM 714 CA PHE A 43 -6.787 5.813 5.175 1.00 0.00 C ATOM 715 C PHE A 43 -5.865 4.616 5.410 1.00 0.00 C ATOM 716 O PHE A 43 -6.179 3.726 6.211 1.00 0.00 O ATOM 717 CB PHE A 43 -6.056 7.160 5.465 1.00 0.00 C ATOM 718 CG PHE A 43 -5.384 7.271 6.835 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.113 7.649 7.960 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.011 7.020 6.993 1.00 0.00 C ATOM 721 CE1 PHE A 43 -5.497 7.772 9.186 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.400 7.142 8.222 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.142 7.519 9.316 1.00 0.00 C ATOM 0 H PHE A 43 -7.810 5.100 6.849 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.084 5.843 4.127 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.299 7.314 4.696 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.777 7.971 5.368 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.171 7.847 7.870 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.424 6.726 6.136 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.074 8.067 10.050 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.344 6.942 8.325 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.666 7.618 10.280 1.00 0.00 H new ATOM 733 N VAL A 44 -4.728 4.607 4.715 1.00 0.00 N ATOM 734 CA VAL A 44 -3.694 3.582 4.853 1.00 0.00 C ATOM 735 C VAL A 44 -2.353 4.270 5.107 1.00 0.00 C ATOM 736 O VAL A 44 -1.990 5.200 4.380 1.00 0.00 O ATOM 737 CB VAL A 44 -3.596 2.683 3.571 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.446 1.661 3.679 1.00 0.00 C ATOM 739 CG2 VAL A 44 -4.937 1.973 3.309 1.00 0.00 C ATOM 0 H VAL A 44 -4.496 5.324 4.028 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.955 2.934 5.689 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.374 3.333 2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.410 1.057 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.500 2.189 3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.614 1.014 4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.852 1.353 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.190 1.345 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.720 2.717 3.161 1.00 0.00 H new ATOM 749 N ARG A 45 -1.626 3.796 6.126 1.00 0.00 N ATOM 750 CA ARG A 45 -0.316 4.307 6.486 1.00 0.00 C ATOM 751 C ARG A 45 0.736 3.350 5.922 1.00 0.00 C ATOM 752 O ARG A 45 0.726 2.143 6.211 1.00 0.00 O ATOM 753 CB ARG A 45 -0.171 4.450 8.022 1.00 0.00 C ATOM 754 CG ARG A 45 1.168 5.086 8.467 1.00 0.00 C ATOM 755 CD ARG A 45 1.232 5.348 9.983 1.00 0.00 C ATOM 756 NE ARG A 45 1.042 4.126 10.780 1.00 0.00 N ATOM 757 CZ ARG A 45 0.725 4.086 12.086 1.00 0.00 C ATOM 758 NH1 ARG A 45 0.530 5.206 12.778 1.00 0.00 N ATOM 759 NH2 ARG A 45 0.591 2.911 12.684 1.00 0.00 N ATOM 0 H ARG A 45 -1.944 3.036 6.727 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.180 5.303 6.065 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.994 5.057 8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.264 3.465 8.480 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.989 4.428 8.182 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.313 6.026 7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.196 5.792 10.230 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.467 6.076 10.254 1.00 0.00 H new ATOM 0 HE ARG A 45 1.161 3.233 10.301 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.620 6.112 12.318 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.290 5.158 13.768 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.728 2.050 12.154 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.351 2.867 13.674 1.00 0.00 H new ATOM 773 N VAL A 46 1.625 3.921 5.122 1.00 0.00 N ATOM 774 CA VAL A 46 2.716 3.215 4.464 1.00 0.00 C ATOM 775 C VAL A 46 3.857 3.072 5.471 1.00 0.00 C ATOM 776 O VAL A 46 4.509 4.065 5.840 1.00 0.00 O ATOM 777 CB VAL A 46 3.218 3.991 3.189 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.335 3.215 2.444 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.042 4.326 2.249 1.00 0.00 C ATOM 0 H VAL A 46 1.607 4.918 4.906 1.00 0.00 H new ATOM 0 HA VAL A 46 2.366 2.238 4.131 1.00 0.00 H new ATOM 0 HB VAL A 46 3.655 4.930 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.653 3.784 1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.184 3.069 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.954 2.245 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.415 4.862 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.558 3.403 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.321 4.950 2.777 1.00 0.00 H new ATOM 789 N THR A 47 4.063 1.840 5.931 1.00 0.00 N ATOM 790 CA THR A 47 5.151 1.506 6.838 1.00 0.00 C ATOM 791 C THR A 47 6.391 1.212 5.991 1.00 0.00 C ATOM 792 O THR A 47 6.287 0.493 5.002 1.00 0.00 O ATOM 793 CB THR A 47 4.783 0.259 7.702 1.00 0.00 C ATOM 794 OG1 THR A 47 3.578 0.514 8.443 1.00 0.00 O ATOM 795 CG2 THR A 47 5.900 -0.144 8.681 1.00 0.00 C ATOM 0 H THR A 47 3.476 1.044 5.682 1.00 0.00 H new ATOM 0 HA THR A 47 5.340 2.337 7.518 1.00 0.00 H new ATOM 0 HB THR A 47 4.640 -0.569 7.008 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.800 0.972 9.280 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.585 -1.017 9.253 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.805 -0.384 8.122 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.103 0.683 9.362 1.00 0.00 H new ATOM 803 N PHE A 48 7.527 1.809 6.341 1.00 0.00 N ATOM 804 CA PHE A 48 8.813 1.518 5.683 1.00 0.00 C ATOM 805 C PHE A 48 9.455 0.293 6.337 1.00 0.00 C ATOM 806 O PHE A 48 9.220 0.028 7.524 1.00 0.00 O ATOM 807 CB PHE A 48 9.748 2.744 5.776 1.00 0.00 C ATOM 808 CG PHE A 48 9.190 3.974 5.069 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.359 4.880 5.738 1.00 0.00 C ATOM 810 CD2 PHE A 48 9.488 4.223 3.728 1.00 0.00 C ATOM 811 CE1 PHE A 48 7.850 5.987 5.088 1.00 0.00 C ATOM 812 CE2 PHE A 48 8.979 5.332 3.086 1.00 0.00 C ATOM 813 CZ PHE A 48 8.166 6.216 3.764 1.00 0.00 C ATOM 0 H PHE A 48 7.590 2.505 7.084 1.00 0.00 H new ATOM 0 HA PHE A 48 8.641 1.303 4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.922 2.983 6.825 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.715 2.490 5.342 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.113 4.711 6.776 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.125 3.539 3.187 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.205 6.674 5.616 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.218 5.509 2.048 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.777 7.088 3.259 1.00 0.00 H new ATOM 823 N THR A 49 10.230 -0.465 5.552 1.00 0.00 N ATOM 824 CA THR A 49 10.985 -1.617 6.057 1.00 0.00 C ATOM 825 C THR A 49 12.067 -1.154 7.062 1.00 0.00 C ATOM 826 O THR A 49 12.620 -0.056 6.899 1.00 0.00 O ATOM 827 CB THR A 49 11.657 -2.415 4.894 1.00 0.00 C ATOM 828 OG1 THR A 49 12.462 -1.532 4.105 1.00 0.00 O ATOM 829 CG2 THR A 49 10.625 -3.113 3.992 1.00 0.00 C ATOM 0 H THR A 49 10.351 -0.298 4.553 1.00 0.00 H new ATOM 0 HA THR A 49 10.279 -2.276 6.562 1.00 0.00 H new ATOM 0 HB THR A 49 12.277 -3.190 5.346 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.883 -2.036 3.378 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.142 -3.654 3.199 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.037 -3.813 4.586 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.964 -2.367 3.551 1.00 0.00 H new ATOM 837 N PRO A 50 12.351 -1.966 8.136 1.00 0.00 N ATOM 838 CA PRO A 50 13.495 -1.715 9.044 1.00 0.00 C ATOM 839 C PRO A 50 14.824 -1.618 8.262 1.00 0.00 C ATOM 840 O PRO A 50 15.350 -2.624 7.775 1.00 0.00 O ATOM 841 CB PRO A 50 13.469 -2.934 10.007 1.00 0.00 C ATOM 842 CG PRO A 50 12.044 -3.404 9.978 1.00 0.00 C ATOM 843 CD PRO A 50 11.561 -3.155 8.569 1.00 0.00 C ATOM 0 HA PRO A 50 13.419 -0.766 9.575 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.152 -3.716 9.676 1.00 0.00 H new ATOM 0 HB3 PRO A 50 13.773 -2.651 11.015 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.975 -4.461 10.235 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.437 -2.860 10.702 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.743 -4.015 7.924 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.489 -2.957 8.541 1.00 0.00 H new ATOM 851 N GLY A 51 15.318 -0.390 8.103 1.00 0.00 N ATOM 852 CA GLY A 51 16.488 -0.103 7.265 1.00 0.00 C ATOM 853 C GLY A 51 16.246 1.120 6.404 1.00 0.00 C ATOM 854 O GLY A 51 17.119 1.984 6.277 1.00 0.00 O ATOM 0 H GLY A 51 14.920 0.436 8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 51 17.362 0.058 7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.706 -0.962 6.631 1.00 0.00 H new ATOM 858 N LYS A 52 15.049 1.175 5.779 1.00 0.00 N ATOM 859 CA LYS A 52 14.557 2.387 5.096 1.00 0.00 C ATOM 860 C LYS A 52 14.143 3.420 6.147 1.00 0.00 C ATOM 861 O LYS A 52 14.268 4.622 5.925 1.00 0.00 O ATOM 862 CB LYS A 52 13.367 2.074 4.145 1.00 0.00 C ATOM 863 CG LYS A 52 13.723 1.146 2.965 1.00 0.00 C ATOM 864 CD LYS A 52 14.929 1.652 2.136 1.00 0.00 C ATOM 865 CE LYS A 52 15.272 0.723 0.963 1.00 0.00 C ATOM 866 NZ LYS A 52 15.541 -0.668 1.400 1.00 0.00 N ATOM 0 H LYS A 52 14.403 0.387 5.735 1.00 0.00 H new ATOM 0 HA LYS A 52 15.362 2.786 4.479 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.566 1.615 4.724 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.977 3.012 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.946 0.150 3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.856 1.050 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.709 2.648 1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.799 1.745 2.787 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.447 0.723 0.250 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.146 1.111 0.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.914 -1.217 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.239 -0.661 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.658 -1.103 1.737 1.00 0.00 H new ATOM 880 N THR A 53 13.642 2.914 7.286 1.00 0.00 N ATOM 881 CA THR A 53 13.364 3.712 8.481 1.00 0.00 C ATOM 882 C THR A 53 14.693 4.255 9.078 1.00 0.00 C ATOM 883 O THR A 53 15.554 3.453 9.469 1.00 0.00 O ATOM 884 CB THR A 53 12.630 2.839 9.554 1.00 0.00 C ATOM 885 OG1 THR A 53 13.359 1.608 9.755 1.00 0.00 O ATOM 886 CG2 THR A 53 11.182 2.514 9.150 1.00 0.00 C ATOM 0 H THR A 53 13.417 1.926 7.399 1.00 0.00 H new ATOM 0 HA THR A 53 12.724 4.549 8.200 1.00 0.00 H new ATOM 0 HB THR A 53 12.594 3.417 10.478 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.313 1.806 9.856 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.715 1.907 9.926 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.621 3.441 9.028 1.00 0.00 H new ATOM 0 HG23 THR A 53 11.182 1.963 8.209 1.00 0.00 H new ATOM 894 N PRO A 54 14.911 5.611 9.099 1.00 0.00 N ATOM 895 CA PRO A 54 16.050 6.230 9.814 1.00 0.00 C ATOM 896 C PRO A 54 15.688 6.540 11.285 1.00 0.00 C ATOM 897 O PRO A 54 14.701 6.010 11.813 1.00 0.00 O ATOM 898 CB PRO A 54 16.291 7.513 8.978 1.00 0.00 C ATOM 899 CG PRO A 54 14.936 7.917 8.468 1.00 0.00 C ATOM 900 CD PRO A 54 14.087 6.649 8.408 1.00 0.00 C ATOM 0 HA PRO A 54 16.933 5.595 9.888 1.00 0.00 H new ATOM 0 HB2 PRO A 54 16.733 8.302 9.587 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.980 7.322 8.155 1.00 0.00 H new ATOM 0 HG2 PRO A 54 14.480 8.656 9.127 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.016 8.375 7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 54 13.128 6.790 8.906 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.872 6.364 7.378 1.00 0.00 H new ATOM 908 N VAL A 55 16.505 7.385 11.947 1.00 0.00 N ATOM 909 CA VAL A 55 16.208 7.885 13.308 1.00 0.00 C ATOM 910 C VAL A 55 14.967 8.806 13.256 1.00 0.00 C ATOM 911 O VAL A 55 14.156 8.840 14.194 1.00 0.00 O ATOM 912 CB VAL A 55 17.448 8.626 13.938 1.00 0.00 C ATOM 913 CG1 VAL A 55 17.137 9.159 15.364 1.00 0.00 C ATOM 914 CG2 VAL A 55 18.686 7.695 13.945 1.00 0.00 C ATOM 0 H VAL A 55 17.380 7.738 11.560 1.00 0.00 H new ATOM 0 HA VAL A 55 15.992 7.034 13.955 1.00 0.00 H new ATOM 0 HB VAL A 55 17.672 9.493 13.316 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.017 9.663 15.764 1.00 0.00 H new ATOM 0 HG12 VAL A 55 16.306 9.863 15.316 1.00 0.00 H new ATOM 0 HG13 VAL A 55 16.870 8.326 16.014 1.00 0.00 H new ATOM 0 HG21 VAL A 55 19.534 8.221 14.383 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.468 6.804 14.534 1.00 0.00 H new ATOM 0 HG23 VAL A 55 18.928 7.404 12.923 1.00 0.00 H new ATOM 924 N ASP A 56 14.811 9.520 12.115 1.00 0.00 N ATOM 925 CA ASP A 56 13.571 10.230 11.769 1.00 0.00 C ATOM 926 C ASP A 56 12.607 9.218 11.124 1.00 0.00 C ATOM 927 O ASP A 56 12.320 9.295 9.923 1.00 0.00 O ATOM 928 CB ASP A 56 13.839 11.426 10.801 1.00 0.00 C ATOM 929 CG ASP A 56 14.710 12.532 11.409 1.00 0.00 C ATOM 930 OD1 ASP A 56 14.189 13.329 12.216 1.00 0.00 O ATOM 931 OD2 ASP A 56 15.912 12.620 11.077 1.00 0.00 O ATOM 0 H ASP A 56 15.545 9.615 11.414 1.00 0.00 H new ATOM 0 HA ASP A 56 13.133 10.652 12.674 1.00 0.00 H new ATOM 0 HB2 ASP A 56 14.323 11.050 9.899 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.885 11.855 10.496 1.00 0.00 H new ATOM 936 N GLY A 57 12.170 8.228 11.928 1.00 0.00 N ATOM 937 CA GLY A 57 11.243 7.179 11.495 1.00 0.00 C ATOM 938 C GLY A 57 9.797 7.658 11.392 1.00 0.00 C ATOM 939 O GLY A 57 8.902 7.137 12.069 1.00 0.00 O ATOM 0 H GLY A 57 12.457 8.139 12.903 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.563 6.799 10.525 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.294 6.346 12.196 1.00 0.00 H new ATOM 943 N GLN A 58 9.583 8.672 10.541 1.00 0.00 N ATOM 944 CA GLN A 58 8.258 9.207 10.218 1.00 0.00 C ATOM 945 C GLN A 58 7.711 8.447 9.011 1.00 0.00 C ATOM 946 O GLN A 58 8.465 8.093 8.099 1.00 0.00 O ATOM 947 CB GLN A 58 8.347 10.724 9.909 1.00 0.00 C ATOM 948 CG GLN A 58 8.881 11.573 11.076 1.00 0.00 C ATOM 949 CD GLN A 58 8.931 13.068 10.754 1.00 0.00 C ATOM 950 OE1 GLN A 58 9.934 13.583 10.267 1.00 0.00 O ATOM 951 NE2 GLN A 58 7.858 13.774 11.029 1.00 0.00 N ATOM 0 H GLN A 58 10.340 9.149 10.051 1.00 0.00 H new ATOM 0 HA GLN A 58 7.589 9.079 11.069 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.992 10.870 9.043 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.357 11.086 9.634 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.250 11.416 11.951 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.882 11.230 11.339 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.039 13.320 11.433 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.844 14.776 10.838 1.00 0.00 H new ATOM 960 N TYR A 59 6.408 8.195 9.009 1.00 0.00 N ATOM 961 CA TYR A 59 5.749 7.400 7.962 1.00 0.00 C ATOM 962 C TYR A 59 4.932 8.295 7.045 1.00 0.00 C ATOM 963 O TYR A 59 4.501 9.381 7.435 1.00 0.00 O ATOM 964 CB TYR A 59 4.863 6.309 8.607 1.00 0.00 C ATOM 965 CG TYR A 59 5.676 5.328 9.459 1.00 0.00 C ATOM 966 CD1 TYR A 59 6.366 4.268 8.866 1.00 0.00 C ATOM 967 CD2 TYR A 59 5.790 5.485 10.841 1.00 0.00 C ATOM 968 CE1 TYR A 59 7.128 3.398 9.620 1.00 0.00 C ATOM 969 CE2 TYR A 59 6.555 4.620 11.592 1.00 0.00 C ATOM 970 CZ TYR A 59 7.220 3.577 10.981 1.00 0.00 C ATOM 971 OH TYR A 59 7.981 2.711 11.739 1.00 0.00 O ATOM 0 H TYR A 59 5.771 8.533 9.731 1.00 0.00 H new ATOM 0 HA TYR A 59 6.512 6.911 7.356 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.102 6.782 9.228 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.339 5.760 7.825 1.00 0.00 H new ATOM 0 HD1 TYR A 59 6.302 4.126 7.797 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.271 6.297 11.329 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.649 2.581 9.144 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.634 4.758 12.660 1.00 0.00 H new ATOM 0 HH TYR A 59 7.864 2.919 12.689 1.00 0.00 H new ATOM 981 N VAL A 60 4.697 7.801 5.831 1.00 0.00 N ATOM 982 CA VAL A 60 3.863 8.478 4.830 1.00 0.00 C ATOM 983 C VAL A 60 2.548 7.707 4.723 1.00 0.00 C ATOM 984 O VAL A 60 2.459 6.582 5.221 1.00 0.00 O ATOM 985 CB VAL A 60 4.589 8.579 3.432 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.950 9.296 3.579 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.760 7.200 2.753 1.00 0.00 C ATOM 0 H VAL A 60 5.081 6.913 5.508 1.00 0.00 H new ATOM 0 HA VAL A 60 3.672 9.505 5.142 1.00 0.00 H new ATOM 0 HB VAL A 60 3.948 9.172 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.436 9.357 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.791 10.302 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.584 8.736 4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.265 7.326 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.356 6.550 3.394 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.780 6.750 2.591 1.00 0.00 H new ATOM 997 N TRP A 61 1.524 8.312 4.118 1.00 0.00 N ATOM 998 CA TRP A 61 0.165 7.740 4.104 1.00 0.00 C ATOM 999 C TRP A 61 -0.696 8.388 3.013 1.00 0.00 C ATOM 1000 O TRP A 61 -0.387 9.474 2.531 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.507 7.918 5.499 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.684 9.354 5.938 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.253 10.167 6.515 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -1.877 10.140 5.831 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.291 11.397 6.770 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.597 11.398 6.370 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.160 9.890 5.338 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.546 12.407 6.426 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.103 10.890 5.395 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -3.793 12.135 5.942 1.00 0.00 C ATOM 0 H TRP A 61 1.605 9.203 3.627 1.00 0.00 H new ATOM 0 HA TRP A 61 0.247 6.676 3.882 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.484 7.435 5.480 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.092 7.396 6.245 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.271 9.881 6.736 1.00 0.00 H new ATOM 0 HE1 TRP A 61 0.200 12.186 7.191 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.408 8.926 4.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.307 13.376 6.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.096 10.709 5.011 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.555 12.899 5.983 1.00 0.00 H new ATOM 1021 N PHE A 62 -1.806 7.719 2.670 1.00 0.00 N ATOM 1022 CA PHE A 62 -2.749 8.176 1.637 1.00 0.00 C ATOM 1023 C PHE A 62 -4.178 7.792 2.046 1.00 0.00 C ATOM 1024 O PHE A 62 -4.384 6.745 2.673 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.379 7.574 0.246 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.293 6.044 0.207 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.117 5.380 0.565 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.389 5.269 -0.168 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.047 3.998 0.544 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.314 3.893 -0.183 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.144 3.258 0.171 1.00 0.00 C ATOM 0 H PHE A 62 -2.078 6.837 3.105 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.688 9.261 1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.120 7.900 -0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.420 7.985 -0.068 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.251 5.953 0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.311 5.754 -0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.129 3.500 0.821 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.176 3.310 -0.473 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.088 2.180 0.156 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.154 8.637 1.679 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.579 8.414 1.998 1.00 0.00 C ATOM 1043 C ASN A 63 -7.190 7.434 0.977 1.00 0.00 C ATOM 1044 O ASN A 63 -6.868 7.513 -0.221 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.355 9.767 2.024 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.398 10.466 0.659 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -6.470 11.180 0.295 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -8.466 10.266 -0.106 1.00 0.00 N ATOM 0 H ASN A 63 -4.981 9.494 1.153 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.661 7.973 2.991 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.375 9.587 2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.889 10.432 2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.528 10.712 -1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.223 9.667 0.222 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.055 6.506 1.441 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.672 5.478 0.564 1.00 0.00 C ATOM 1057 C ILE A 64 -10.200 5.633 0.506 1.00 0.00 C ATOM 1058 O ILE A 64 -10.774 5.688 -0.589 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.293 4.002 0.987 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.699 3.684 2.466 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -6.787 3.756 0.762 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.583 2.225 2.847 1.00 0.00 C ATOM 0 H ILE A 64 -8.344 6.445 2.417 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.261 5.648 -0.431 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.862 3.321 0.354 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.073 4.273 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.728 4.008 2.625 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.537 2.737 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.549 3.898 -0.292 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.210 4.459 1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.883 2.095 3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.231 1.629 2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.551 1.898 2.724 1.00 0.00 H new ATOM 1074 N GLY A 65 -10.851 5.756 1.685 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.307 5.720 1.780 1.00 0.00 C ATOM 1076 C GLY A 65 -12.869 4.335 1.442 1.00 0.00 C ATOM 1077 O GLY A 65 -13.222 3.563 2.341 1.00 0.00 O ATOM 0 H GLY A 65 -10.378 5.881 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.612 5.999 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.733 6.460 1.102 1.00 0.00 H new ATOM 1081 N SER A 66 -12.939 4.027 0.135 1.00 0.00 N ATOM 1082 CA SER A 66 -13.360 2.713 -0.369 1.00 0.00 C ATOM 1083 C SER A 66 -12.230 1.684 -0.145 1.00 0.00 C ATOM 1084 O SER A 66 -11.287 1.591 -0.941 1.00 0.00 O ATOM 1085 CB SER A 66 -13.721 2.820 -1.861 1.00 0.00 C ATOM 1086 OG SER A 66 -14.677 3.841 -2.087 1.00 0.00 O ATOM 0 H SER A 66 -12.703 4.689 -0.604 1.00 0.00 H new ATOM 0 HA SER A 66 -14.243 2.377 0.174 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.822 3.026 -2.441 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.115 1.866 -2.211 1.00 0.00 H new ATOM 0 HG SER A 66 -14.886 3.887 -3.043 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.327 0.975 0.991 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.388 -0.096 1.403 1.00 0.00 C ATOM 1094 C VAL A 67 -11.371 -1.241 0.382 1.00 0.00 C ATOM 1095 O VAL A 67 -10.316 -1.822 0.115 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.763 -0.665 2.824 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.723 -1.707 3.335 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -11.945 0.493 3.827 1.00 0.00 C ATOM 0 H VAL A 67 -13.075 1.129 1.668 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.394 0.349 1.451 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.710 -1.198 2.732 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.025 -2.070 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.674 -2.544 2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.742 -1.237 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.204 0.089 4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.016 1.059 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.744 1.150 3.483 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.553 -1.542 -0.193 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.718 -2.592 -1.219 1.00 0.00 C ATOM 1110 C ASP A 68 -11.905 -2.245 -2.472 1.00 0.00 C ATOM 1111 O ASP A 68 -11.297 -3.123 -3.081 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.223 -2.776 -1.586 1.00 0.00 C ATOM 1113 CG ASP A 68 -15.100 -3.093 -0.361 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -15.460 -2.143 0.373 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -15.411 -4.281 -0.107 1.00 0.00 O ATOM 0 H ASP A 68 -13.422 -1.063 0.042 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.348 -3.531 -0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.589 -1.868 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.319 -3.581 -2.314 1.00 0.00 H new ATOM 1120 N THR A 69 -11.895 -0.948 -2.832 1.00 0.00 N ATOM 1121 CA THR A 69 -11.125 -0.454 -3.976 1.00 0.00 C ATOM 1122 C THR A 69 -9.613 -0.507 -3.678 1.00 0.00 C ATOM 1123 O THR A 69 -8.839 -0.900 -4.549 1.00 0.00 O ATOM 1124 CB THR A 69 -11.550 0.996 -4.374 1.00 0.00 C ATOM 1125 OG1 THR A 69 -12.970 1.029 -4.619 1.00 0.00 O ATOM 1126 CG2 THR A 69 -10.806 1.504 -5.627 1.00 0.00 C ATOM 0 H THR A 69 -12.417 -0.223 -2.340 1.00 0.00 H new ATOM 0 HA THR A 69 -11.340 -1.108 -4.821 1.00 0.00 H new ATOM 0 HB THR A 69 -11.287 1.653 -3.545 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.238 1.938 -4.867 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.137 2.516 -5.862 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.733 1.509 -5.436 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.022 0.847 -6.470 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.213 -0.125 -2.438 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.814 -0.229 -1.971 1.00 0.00 C ATOM 1136 C PHE A 70 -7.278 -1.652 -2.174 1.00 0.00 C ATOM 1137 O PHE A 70 -6.243 -1.841 -2.816 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.683 0.195 -0.475 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.336 -0.170 0.164 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.147 0.413 -0.282 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.255 -1.138 1.169 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -3.931 0.044 0.265 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.037 -1.507 1.705 1.00 0.00 C ATOM 1144 CZ PHE A 70 -3.880 -0.916 1.256 1.00 0.00 C ATOM 0 H PHE A 70 -9.850 0.261 -1.741 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.213 0.457 -2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.829 1.273 -0.400 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.483 -0.275 0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.178 1.159 -1.062 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.159 -1.605 1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.020 0.508 -0.084 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.993 -2.260 2.478 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.929 -1.203 1.679 1.00 0.00 H new ATOM 1154 N GLU A 71 -8.031 -2.627 -1.641 1.00 0.00 N ATOM 1155 CA GLU A 71 -7.684 -4.047 -1.697 1.00 0.00 C ATOM 1156 C GLU A 71 -7.583 -4.542 -3.144 1.00 0.00 C ATOM 1157 O GLU A 71 -6.560 -5.097 -3.535 1.00 0.00 O ATOM 1158 CB GLU A 71 -8.736 -4.873 -0.924 1.00 0.00 C ATOM 1159 CG GLU A 71 -8.715 -4.667 0.598 1.00 0.00 C ATOM 1160 CD GLU A 71 -7.411 -5.142 1.259 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -7.068 -6.335 1.103 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -6.744 -4.347 1.945 1.00 0.00 O ATOM 0 H GLU A 71 -8.908 -2.444 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.707 -4.177 -1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.727 -4.617 -1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.577 -5.930 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.860 -3.609 0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.555 -5.202 1.042 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.644 -4.283 -3.926 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.795 -4.756 -5.294 1.00 0.00 C ATOM 1171 C ARG A 72 -7.655 -4.260 -6.203 1.00 0.00 C ATOM 1172 O ARG A 72 -7.060 -5.036 -6.971 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.157 -4.250 -5.814 1.00 0.00 C ATOM 1174 CG ARG A 72 -10.585 -4.827 -7.162 1.00 0.00 C ATOM 1175 CD ARG A 72 -11.155 -6.255 -7.070 1.00 0.00 C ATOM 1176 NE ARG A 72 -10.186 -7.286 -6.621 1.00 0.00 N ATOM 1177 CZ ARG A 72 -9.875 -8.402 -7.291 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -10.432 -8.685 -8.467 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -9.052 -9.268 -6.743 1.00 0.00 N ATOM 0 H ARG A 72 -9.435 -3.724 -3.607 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.752 -5.845 -5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.922 -4.486 -5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.117 -3.164 -5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.336 -4.173 -7.605 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.728 -4.830 -7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.002 -6.249 -6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.540 -6.541 -8.049 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.718 -7.131 -5.728 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.112 -8.045 -8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.178 -9.542 -8.958 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.660 -9.085 -5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.806 -10.123 -7.241 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.366 -2.953 -6.078 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.313 -2.278 -6.844 1.00 0.00 C ATOM 1195 C ASN A 73 -4.939 -2.789 -6.423 1.00 0.00 C ATOM 1196 O ASN A 73 -4.101 -3.047 -7.271 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.411 -0.738 -6.671 1.00 0.00 C ATOM 1198 CG ASN A 73 -7.646 -0.101 -7.353 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -7.592 1.049 -7.782 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -8.768 -0.823 -7.469 1.00 0.00 N ATOM 0 H ASN A 73 -7.862 -2.334 -5.437 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.452 -2.506 -7.901 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.436 -0.504 -5.607 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.509 -0.280 -7.077 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.590 -0.419 -7.918 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.800 -1.777 -7.109 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.754 -2.965 -5.099 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.501 -3.472 -4.504 1.00 0.00 C ATOM 1209 C LEU A 74 -3.151 -4.883 -5.037 1.00 0.00 C ATOM 1210 O LEU A 74 -1.998 -5.149 -5.371 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.626 -3.499 -2.953 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.326 -3.814 -2.156 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.232 -2.754 -2.420 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -2.624 -3.955 -0.649 1.00 0.00 C ATOM 0 H LEU A 74 -5.475 -2.758 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.693 -2.799 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.001 -2.530 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.379 -4.240 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.941 -4.771 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.338 -3.004 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.990 -2.737 -3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.595 -1.773 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.700 -4.175 -0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.048 -3.024 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.335 -4.766 -0.493 1.00 0.00 H new ATOM 1226 N GLU A 75 -4.177 -5.758 -5.119 1.00 0.00 N ATOM 1227 CA GLU A 75 -4.042 -7.143 -5.630 1.00 0.00 C ATOM 1228 C GLU A 75 -3.548 -7.149 -7.084 1.00 0.00 C ATOM 1229 O GLU A 75 -2.481 -7.693 -7.371 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.406 -7.890 -5.536 1.00 0.00 C ATOM 1231 CG GLU A 75 -5.908 -8.116 -4.095 1.00 0.00 C ATOM 1232 CD GLU A 75 -7.350 -8.635 -4.049 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -7.558 -9.866 -4.073 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -8.288 -7.815 -4.032 1.00 0.00 O ATOM 0 H GLU A 75 -5.127 -5.524 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.306 -7.657 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.157 -7.322 -6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.313 -8.856 -6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.253 -8.828 -3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.845 -7.180 -3.541 1.00 0.00 H new ATOM 1241 N THR A 76 -4.308 -6.449 -7.956 1.00 0.00 N ATOM 1242 CA THR A 76 -4.079 -6.426 -9.413 1.00 0.00 C ATOM 1243 C THR A 76 -2.707 -5.798 -9.729 1.00 0.00 C ATOM 1244 O THR A 76 -1.912 -6.353 -10.495 1.00 0.00 O ATOM 1245 CB THR A 76 -5.210 -5.611 -10.131 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.494 -6.072 -9.682 1.00 0.00 O ATOM 1247 CG2 THR A 76 -5.142 -5.729 -11.667 1.00 0.00 C ATOM 0 H THR A 76 -5.103 -5.881 -7.663 1.00 0.00 H new ATOM 0 HA THR A 76 -4.094 -7.453 -9.779 1.00 0.00 H new ATOM 0 HB THR A 76 -5.063 -4.562 -9.873 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.698 -5.673 -8.810 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.948 -5.146 -12.113 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.182 -5.351 -12.019 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.248 -6.774 -11.957 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.481 -4.637 -9.096 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.252 -3.840 -9.203 1.00 0.00 C ATOM 1257 C LEU A 77 0.012 -4.651 -8.883 1.00 0.00 C ATOM 1258 O LEU A 77 0.929 -4.686 -9.696 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.336 -2.623 -8.261 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.160 -1.615 -8.320 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.045 -1.042 -9.747 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.385 -0.501 -7.295 1.00 0.00 C ATOM 0 H LEU A 77 -3.172 -4.214 -8.476 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.173 -3.513 -10.240 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.257 -2.084 -8.482 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.419 -2.990 -7.238 1.00 0.00 H new ATOM 0 HG LEU A 77 0.758 -2.146 -8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.879 -0.340 -9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.261 -1.856 -10.439 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.861 -0.526 -10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.443 0.206 -7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.317 0.017 -7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.442 -0.932 -6.296 1.00 0.00 H new ATOM 1274 N GLN A 78 0.037 -5.318 -7.709 1.00 0.00 N ATOM 1275 CA GLN A 78 1.211 -6.099 -7.267 1.00 0.00 C ATOM 1276 C GLN A 78 1.441 -7.327 -8.175 1.00 0.00 C ATOM 1277 O GLN A 78 2.580 -7.740 -8.374 1.00 0.00 O ATOM 1278 CB GLN A 78 1.071 -6.531 -5.792 1.00 0.00 C ATOM 1279 CG GLN A 78 1.052 -5.376 -4.782 1.00 0.00 C ATOM 1280 CD GLN A 78 0.964 -5.869 -3.338 1.00 0.00 C ATOM 1281 OE1 GLN A 78 1.973 -6.021 -2.651 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -0.237 -6.192 -2.896 1.00 0.00 N ATOM 0 H GLN A 78 -0.742 -5.331 -7.051 1.00 0.00 H new ATOM 0 HA GLN A 78 2.084 -5.451 -7.348 1.00 0.00 H new ATOM 0 HB2 GLN A 78 0.152 -7.106 -5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.896 -7.199 -5.544 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.953 -4.775 -4.904 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.204 -4.725 -4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.054 -6.053 -3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.348 -6.580 -1.959 1.00 0.00 H new ATOM 1291 N GLN A 79 0.343 -7.874 -8.746 1.00 0.00 N ATOM 1292 CA GLN A 79 0.423 -8.953 -9.761 1.00 0.00 C ATOM 1293 C GLN A 79 1.136 -8.436 -11.029 1.00 0.00 C ATOM 1294 O GLN A 79 1.938 -9.153 -11.628 1.00 0.00 O ATOM 1295 CB GLN A 79 -0.989 -9.500 -10.117 1.00 0.00 C ATOM 1296 CG GLN A 79 -1.675 -10.291 -8.999 1.00 0.00 C ATOM 1297 CD GLN A 79 -3.106 -10.720 -9.349 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -4.068 -10.002 -9.071 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -3.252 -11.875 -9.980 1.00 0.00 N ATOM 0 H GLN A 79 -0.610 -7.586 -8.522 1.00 0.00 H new ATOM 0 HA GLN A 79 1.001 -9.775 -9.338 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.628 -8.662 -10.394 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -0.904 -10.140 -10.995 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.082 -11.178 -8.774 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -1.696 -9.684 -8.094 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.434 -12.446 -10.195 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.182 -12.194 -10.251 1.00 0.00 H new ATOM 1308 N GLU A 80 0.851 -7.169 -11.400 1.00 0.00 N ATOM 1309 CA GLU A 80 1.483 -6.503 -12.557 1.00 0.00 C ATOM 1310 C GLU A 80 2.965 -6.201 -12.277 1.00 0.00 C ATOM 1311 O GLU A 80 3.820 -6.404 -13.140 1.00 0.00 O ATOM 1312 CB GLU A 80 0.731 -5.187 -12.913 1.00 0.00 C ATOM 1313 CG GLU A 80 -0.724 -5.385 -13.368 1.00 0.00 C ATOM 1314 CD GLU A 80 -0.848 -6.309 -14.586 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -0.571 -5.853 -15.718 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -1.208 -7.499 -14.425 1.00 0.00 O ATOM 0 H GLU A 80 0.178 -6.582 -10.907 1.00 0.00 H new ATOM 0 HA GLU A 80 1.422 -7.184 -13.406 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.740 -4.532 -12.042 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.278 -4.673 -13.703 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.304 -5.799 -12.543 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.159 -4.415 -13.608 1.00 0.00 H new ATOM 1323 N LEU A 81 3.249 -5.693 -11.067 1.00 0.00 N ATOM 1324 CA LEU A 81 4.613 -5.333 -10.631 1.00 0.00 C ATOM 1325 C LEU A 81 5.482 -6.589 -10.386 1.00 0.00 C ATOM 1326 O LEU A 81 6.711 -6.493 -10.357 1.00 0.00 O ATOM 1327 CB LEU A 81 4.528 -4.470 -9.336 1.00 0.00 C ATOM 1328 CG LEU A 81 3.711 -3.135 -9.427 1.00 0.00 C ATOM 1329 CD1 LEU A 81 3.565 -2.467 -8.038 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.320 -2.160 -10.463 1.00 0.00 C ATOM 0 H LEU A 81 2.537 -5.519 -10.358 1.00 0.00 H new ATOM 0 HA LEU A 81 5.090 -4.758 -11.425 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.090 -5.083 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.543 -4.226 -9.023 1.00 0.00 H new ATOM 0 HG LEU A 81 2.710 -3.391 -9.776 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.994 -1.544 -8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.045 -3.145 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.553 -2.241 -7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.726 -1.247 -10.497 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.343 -1.917 -10.176 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.321 -2.629 -11.447 1.00 0.00 H new ATOM 1342 N GLY A 82 4.825 -7.757 -10.211 1.00 0.00 N ATOM 1343 CA GLY A 82 5.513 -9.018 -9.903 1.00 0.00 C ATOM 1344 C GLY A 82 5.740 -9.224 -8.404 1.00 0.00 C ATOM 1345 O GLY A 82 6.425 -10.164 -8.001 1.00 0.00 O ATOM 0 H GLY A 82 3.811 -7.846 -10.280 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.927 -9.850 -10.294 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.474 -9.036 -10.416 1.00 0.00 H new ATOM 1349 N ILE A 83 5.145 -8.337 -7.589 1.00 0.00 N ATOM 1350 CA ILE A 83 5.208 -8.356 -6.122 1.00 0.00 C ATOM 1351 C ILE A 83 4.150 -9.353 -5.591 1.00 0.00 C ATOM 1352 O ILE A 83 2.967 -9.023 -5.513 1.00 0.00 O ATOM 1353 CB ILE A 83 4.926 -6.899 -5.577 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.996 -5.904 -6.118 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.845 -6.852 -4.038 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.763 -4.458 -5.747 1.00 0.00 C ATOM 0 H ILE A 83 4.588 -7.561 -7.948 1.00 0.00 H new ATOM 0 HA ILE A 83 6.194 -8.672 -5.783 1.00 0.00 H new ATOM 0 HB ILE A 83 3.947 -6.595 -5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.974 -6.207 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.030 -5.985 -7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.650 -5.829 -3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 83 4.038 -7.501 -3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.789 -7.193 -3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 83 6.558 -3.842 -6.168 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.802 -4.131 -6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.761 -4.357 -4.662 1.00 0.00 H new ATOM 1368 N GLU A 84 4.562 -10.598 -5.284 1.00 0.00 N ATOM 1369 CA GLU A 84 3.627 -11.689 -4.903 1.00 0.00 C ATOM 1370 C GLU A 84 4.184 -12.529 -3.742 1.00 0.00 C ATOM 1371 O GLU A 84 5.396 -12.575 -3.525 1.00 0.00 O ATOM 1372 CB GLU A 84 3.324 -12.599 -6.127 1.00 0.00 C ATOM 1373 CG GLU A 84 2.627 -11.888 -7.302 1.00 0.00 C ATOM 1374 CD GLU A 84 2.183 -12.852 -8.404 1.00 0.00 C ATOM 1375 OE1 GLU A 84 1.103 -13.457 -8.267 1.00 0.00 O ATOM 1376 OE2 GLU A 84 2.918 -13.030 -9.399 1.00 0.00 O ATOM 0 H GLU A 84 5.542 -10.880 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 84 2.699 -11.226 -4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.260 -13.028 -6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.698 -13.429 -5.799 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.758 -11.347 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.306 -11.148 -7.726 1.00 0.00 H new ATOM 1383 N GLY A 85 3.244 -13.168 -3.007 1.00 0.00 N ATOM 1384 CA GLY A 85 3.532 -14.088 -1.904 1.00 0.00 C ATOM 1385 C GLY A 85 4.369 -13.471 -0.787 1.00 0.00 C ATOM 1386 O GLY A 85 3.853 -12.718 0.047 1.00 0.00 O ATOM 0 H GLY A 85 2.245 -13.049 -3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.591 -14.444 -1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.055 -14.959 -2.298 1.00 0.00 H new ATOM 1390 N GLU A 86 5.677 -13.773 -0.821 1.00 0.00 N ATOM 1391 CA GLU A 86 6.662 -13.326 0.185 1.00 0.00 C ATOM 1392 C GLU A 86 7.022 -11.847 -0.002 1.00 0.00 C ATOM 1393 O GLU A 86 7.386 -11.163 0.954 1.00 0.00 O ATOM 1394 CB GLU A 86 7.939 -14.197 0.097 1.00 0.00 C ATOM 1395 CG GLU A 86 7.691 -15.686 0.387 1.00 0.00 C ATOM 1396 CD GLU A 86 8.924 -16.542 0.096 1.00 0.00 C ATOM 1397 OE1 GLU A 86 9.787 -16.684 0.994 1.00 0.00 O ATOM 1398 OE2 GLU A 86 9.048 -17.057 -1.037 1.00 0.00 O ATOM 0 H GLU A 86 6.089 -14.344 -1.559 1.00 0.00 H new ATOM 0 HA GLU A 86 6.212 -13.440 1.171 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.369 -14.096 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.677 -13.816 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.404 -15.808 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.855 -16.038 -0.217 1.00 0.00 H new ATOM 1405 N ASN A 87 6.940 -11.372 -1.249 1.00 0.00 N ATOM 1406 CA ASN A 87 7.219 -9.969 -1.602 1.00 0.00 C ATOM 1407 C ASN A 87 5.959 -9.099 -1.468 1.00 0.00 C ATOM 1408 O ASN A 87 6.070 -7.886 -1.269 1.00 0.00 O ATOM 1409 CB ASN A 87 7.823 -9.890 -3.036 1.00 0.00 C ATOM 1410 CG ASN A 87 9.249 -10.460 -3.113 1.00 0.00 C ATOM 1411 OD1 ASN A 87 9.651 -11.302 -2.308 1.00 0.00 O ATOM 1412 ND2 ASN A 87 10.015 -10.021 -4.100 1.00 0.00 N ATOM 0 H ASN A 87 6.677 -11.949 -2.048 1.00 0.00 H new ATOM 0 HA ASN A 87 7.953 -9.573 -0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.180 -10.436 -3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.834 -8.851 -3.364 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.963 -10.380 -4.208 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.657 -9.323 -4.752 1.00 0.00 H new ATOM 1419 N ARG A 88 4.769 -9.739 -1.551 1.00 0.00 N ATOM 1420 CA ARG A 88 3.466 -9.051 -1.441 1.00 0.00 C ATOM 1421 C ARG A 88 3.324 -8.380 -0.064 1.00 0.00 C ATOM 1422 O ARG A 88 3.347 -9.068 0.955 1.00 0.00 O ATOM 1423 CB ARG A 88 2.313 -10.053 -1.662 1.00 0.00 C ATOM 1424 CG ARG A 88 0.903 -9.427 -1.616 1.00 0.00 C ATOM 1425 CD ARG A 88 -0.210 -10.475 -1.654 1.00 0.00 C ATOM 1426 NE ARG A 88 -0.127 -11.332 -2.861 1.00 0.00 N ATOM 1427 CZ ARG A 88 -0.053 -12.673 -2.860 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -0.031 -13.357 -1.726 1.00 0.00 N ATOM 1429 NH2 ARG A 88 0.076 -13.321 -4.003 1.00 0.00 N ATOM 0 H ARG A 88 4.688 -10.745 -1.696 1.00 0.00 H new ATOM 0 HA ARG A 88 3.418 -8.280 -2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.450 -10.538 -2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.376 -10.833 -0.903 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.804 -8.831 -0.709 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.784 -8.746 -2.459 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.151 -11.099 -0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.179 -9.976 -1.630 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.126 -10.864 -3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.071 -12.865 -0.833 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.025 -14.375 -1.746 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.119 -12.803 -4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.133 -14.339 -4.008 1.00 0.00 H new ATOM 1443 N VAL A 89 3.161 -7.051 -0.067 1.00 0.00 N ATOM 1444 CA VAL A 89 3.111 -6.228 1.154 1.00 0.00 C ATOM 1445 C VAL A 89 1.842 -6.547 1.997 1.00 0.00 C ATOM 1446 O VAL A 89 0.731 -6.367 1.503 1.00 0.00 O ATOM 1447 CB VAL A 89 3.159 -4.700 0.783 1.00 0.00 C ATOM 1448 CG1 VAL A 89 2.972 -3.805 2.029 1.00 0.00 C ATOM 1449 CG2 VAL A 89 4.483 -4.360 0.043 1.00 0.00 C ATOM 0 H VAL A 89 3.059 -6.509 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 89 3.983 -6.469 1.762 1.00 0.00 H new ATOM 0 HB VAL A 89 2.327 -4.494 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.011 -2.757 1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.006 -4.017 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.767 -4.009 2.746 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.499 -3.299 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.330 -4.594 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.550 -4.948 -0.872 1.00 0.00 H new ATOM 1459 N PRO A 90 2.000 -7.033 3.281 1.00 0.00 N ATOM 1460 CA PRO A 90 0.853 -7.371 4.177 1.00 0.00 C ATOM 1461 C PRO A 90 -0.059 -6.165 4.479 1.00 0.00 C ATOM 1462 O PRO A 90 0.412 -5.036 4.566 1.00 0.00 O ATOM 1463 CB PRO A 90 1.544 -7.873 5.483 1.00 0.00 C ATOM 1464 CG PRO A 90 2.934 -8.261 5.062 1.00 0.00 C ATOM 1465 CD PRO A 90 3.301 -7.305 3.954 1.00 0.00 C ATOM 0 HA PRO A 90 0.192 -8.104 3.715 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.565 -7.093 6.244 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.010 -8.721 5.911 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.633 -8.183 5.895 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.965 -9.294 4.716 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.749 -6.391 4.345 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.023 -7.746 3.267 1.00 0.00 H new ATOM 1473 N VAL A 91 -1.356 -6.429 4.642 1.00 0.00 N ATOM 1474 CA VAL A 91 -2.358 -5.424 5.029 1.00 0.00 C ATOM 1475 C VAL A 91 -2.719 -5.656 6.503 1.00 0.00 C ATOM 1476 O VAL A 91 -3.007 -6.790 6.898 1.00 0.00 O ATOM 1477 CB VAL A 91 -3.643 -5.528 4.135 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -4.732 -4.538 4.595 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -3.297 -5.320 2.642 1.00 0.00 C ATOM 0 H VAL A 91 -1.750 -7.360 4.508 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.944 -4.425 4.888 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.045 -6.535 4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.608 -4.637 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.010 -4.757 5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.349 -3.520 4.531 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.205 -5.397 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.855 -4.333 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.587 -6.083 2.323 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.680 -4.585 7.315 1.00 0.00 N ATOM 1490 CA VAL A 92 -2.907 -4.658 8.769 1.00 0.00 C ATOM 1491 C VAL A 92 -3.988 -3.636 9.170 1.00 0.00 C ATOM 1492 O VAL A 92 -3.701 -2.449 9.292 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.576 -4.365 9.584 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -1.724 -4.810 11.056 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.342 -5.018 8.925 1.00 0.00 C ATOM 0 H VAL A 92 -2.489 -3.641 6.980 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.235 -5.669 9.009 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.414 -3.287 9.569 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.800 -4.599 11.594 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.546 -4.265 11.520 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.930 -5.880 11.094 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.547 -4.793 9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.483 -6.098 8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.218 -4.625 7.916 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.239 -4.097 9.337 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.363 -3.238 9.758 1.00 0.00 C ATOM 1507 C TYR A 93 -6.168 -2.818 11.220 1.00 0.00 C ATOM 1508 O TYR A 93 -6.322 -3.625 12.139 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.716 -3.967 9.556 1.00 0.00 C ATOM 1510 CG TYR A 93 -7.997 -4.313 8.087 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -8.608 -3.387 7.233 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -7.633 -5.551 7.541 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -8.843 -3.684 5.907 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -7.874 -5.844 6.213 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.476 -4.909 5.406 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.716 -5.205 4.092 1.00 0.00 O ATOM 0 H TYR A 93 -5.501 -5.071 9.185 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.381 -2.341 9.139 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.721 -4.883 10.147 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.521 -3.339 9.936 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.901 -2.422 7.620 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.156 -6.289 8.169 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.314 -2.955 5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.590 -6.805 5.810 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.395 -6.110 3.897 1.00 0.00 H new ATOM 1526 N ILE A 94 -5.800 -1.553 11.414 1.00 0.00 N ATOM 1527 CA ILE A 94 -5.480 -0.990 12.729 1.00 0.00 C ATOM 1528 C ILE A 94 -6.540 0.056 13.074 1.00 0.00 C ATOM 1529 O ILE A 94 -6.637 1.070 12.402 1.00 0.00 O ATOM 1530 CB ILE A 94 -4.032 -0.348 12.709 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -2.941 -1.456 12.550 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -3.746 0.525 13.962 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.934 -2.502 13.665 1.00 0.00 C ATOM 0 H ILE A 94 -5.714 -0.879 10.653 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.483 -1.773 13.488 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.993 0.316 11.846 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.090 -1.961 11.596 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.961 -0.980 12.509 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.740 0.939 13.895 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.471 1.338 14.012 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.826 -0.089 14.859 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.147 -3.231 13.475 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.752 -2.013 14.622 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.899 -3.009 13.695 1.00 0.00 H new ATOM 1545 N ALA A 95 -7.322 -0.180 14.143 1.00 0.00 N ATOM 1546 CA ALA A 95 -8.373 0.760 14.593 1.00 0.00 C ATOM 1547 C ALA A 95 -7.804 1.734 15.645 1.00 0.00 C ATOM 1548 O ALA A 95 -8.559 2.452 16.306 1.00 0.00 O ATOM 1549 CB ALA A 95 -9.572 -0.028 15.151 1.00 0.00 C ATOM 0 H ALA A 95 -7.247 -1.020 14.717 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.717 1.351 13.744 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.343 0.668 15.481 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -9.976 -0.675 14.372 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -9.247 -0.636 15.995 1.00 0.00 H new ATOM 1555 N GLU A 96 -6.456 1.755 15.732 1.00 0.00 N ATOM 1556 CA GLU A 96 -5.650 2.529 16.694 1.00 0.00 C ATOM 1557 C GLU A 96 -5.890 2.076 18.139 1.00 0.00 C ATOM 1558 O GLU A 96 -5.080 1.321 18.697 1.00 0.00 O ATOM 1559 CB GLU A 96 -5.823 4.066 16.521 1.00 0.00 C ATOM 1560 CG GLU A 96 -5.355 4.595 15.153 1.00 0.00 C ATOM 1561 CD GLU A 96 -5.432 6.126 15.035 1.00 0.00 C ATOM 1562 OE1 GLU A 96 -4.468 6.810 15.430 1.00 0.00 O ATOM 1563 OE2 GLU A 96 -6.457 6.650 14.544 1.00 0.00 O ATOM 0 H GLU A 96 -5.874 1.204 15.101 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.606 2.315 16.465 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.874 4.321 16.659 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.266 4.576 17.307 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.327 4.275 14.980 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.965 4.146 14.369 1.00 0.00 H new ATOM 1570 N SER A 97 -7.017 2.533 18.723 1.00 0.00 N ATOM 1571 CA SER A 97 -7.327 2.367 20.159 1.00 0.00 C ATOM 1572 C SER A 97 -6.255 3.067 21.027 1.00 0.00 C ATOM 1573 O SER A 97 -6.077 2.746 22.208 1.00 0.00 O ATOM 1574 CB SER A 97 -7.475 0.865 20.527 1.00 0.00 C ATOM 1575 OG SER A 97 -8.379 0.208 19.640 1.00 0.00 O ATOM 0 H SER A 97 -7.743 3.031 18.208 1.00 0.00 H new ATOM 0 HA SER A 97 -8.285 2.844 20.365 1.00 0.00 H new ATOM 0 HB2 SER A 97 -6.500 0.379 20.485 1.00 0.00 H new ATOM 0 HB3 SER A 97 -7.833 0.772 21.552 1.00 0.00 H new ATOM 0 HG SER A 97 -8.455 -0.736 19.890 1.00 0.00 H new ATOM 1581 N ASP A 98 -5.577 4.069 20.406 1.00 0.00 N ATOM 1582 CA ASP A 98 -4.481 4.843 21.003 1.00 0.00 C ATOM 1583 C ASP A 98 -5.011 5.741 22.131 1.00 0.00 C ATOM 1584 O ASP A 98 -4.393 5.860 23.196 1.00 0.00 O ATOM 1585 CB ASP A 98 -3.799 5.705 19.905 1.00 0.00 C ATOM 1586 CG ASP A 98 -2.663 6.593 20.443 1.00 0.00 C ATOM 1587 OD1 ASP A 98 -1.616 6.053 20.835 1.00 0.00 O ATOM 1588 OD2 ASP A 98 -2.807 7.835 20.481 1.00 0.00 O ATOM 0 H ASP A 98 -5.791 4.360 19.452 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.749 4.156 21.428 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.401 5.047 19.132 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.550 6.336 19.430 1.00 0.00 H new ATOM 1593 N GLY A 99 -6.169 6.360 21.868 1.00 0.00 N ATOM 1594 CA GLY A 99 -6.841 7.238 22.816 1.00 0.00 C ATOM 1595 C GLY A 99 -8.230 6.693 23.161 1.00 0.00 C ATOM 1596 O GLY A 99 -8.332 5.850 24.077 1.00 0.00 O ATOM 1597 OXT GLY A 99 -9.218 7.076 22.502 1.00 0.00 O ATOM 0 H GLY A 99 -6.665 6.260 20.982 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.244 7.328 23.723 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.931 8.238 22.393 1.00 0.00 H new TER 1601 GLY A 99