USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 770 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 72 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 47 HIS : no HE2:sc= -0.924 K(o=-1.3,f=-0.6) USER MOD Set 2.2: A 53 ASN : amide:sc= -0.414 K(o=-1.3,f=-0.6) 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 SER OG : rot 29:sc= 0.181 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.263 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -3.51! K(o=-3.5!,f=-6.9) USER MOD Single : A 15 GLN : amide:sc= -0.121 K(o=-0.12,f=-2.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 150:sc= -3.74! (180deg=-6.36!) USER MOD Single : A 19 LYS NZ :NH3+ 141:sc= -0.943 (180deg=-4.07!) USER MOD Single : A 25 LYS NZ :NH3+ -149:sc= 0.193 (180deg=-0.0741) USER MOD Single : A 27 ASN : amide:sc= -2.33! C(o=-2.3!,f=-7.4!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 39:sc= 0.526 USER MOD Single : A 42 HIS : no HD1:sc= -0.715 K(o=-0.72,f=-0.027) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.282 K(o=-0.28,f=-1.4) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -115:sc= 0.598 USER MOD Single : A 63 SER OG : rot -88:sc= 0.402 USER MOD Single : A 67 HIS : no HD1:sc= -2.05 K(o=-2,f=-2.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -151:sc= 1.32 USER MOD Single : A 77 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.37) USER MOD Single : A 80 GLN : amide:sc= -0.0585 K(o=-0.059,f=-0.97) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.182 K(o=-0.18,f=-0.91) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= -0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.076 -18.100 1.902 1.00 0.00 N ATOM 2 CA GLY A 1 19.686 -17.482 3.065 1.00 0.00 C ATOM 3 C GLY A 1 18.784 -16.450 3.713 1.00 0.00 C ATOM 4 O GLY A 1 18.275 -15.552 3.042 1.00 0.00 O ATOM 0 H1 GLY A 1 19.732 -18.797 1.495 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.195 -18.576 2.184 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.863 -17.370 1.192 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.934 -18.253 3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.623 -17.008 2.772 1.00 0.00 H new ATOM 8 N SER A 2 18.583 -16.579 5.020 1.00 0.00 N ATOM 9 CA SER A 2 17.732 -15.653 5.758 1.00 0.00 C ATOM 10 C SER A 2 18.157 -14.209 5.511 1.00 0.00 C ATOM 11 O SER A 2 19.348 -13.903 5.451 1.00 0.00 O ATOM 12 CB SER A 2 17.783 -15.963 7.255 1.00 0.00 C ATOM 13 OG SER A 2 17.042 -17.132 7.560 1.00 0.00 O ATOM 0 H SER A 2 18.998 -17.316 5.590 1.00 0.00 H new ATOM 0 HA SER A 2 16.709 -15.777 5.403 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.819 -16.094 7.567 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.385 -15.119 7.818 1.00 0.00 H new ATOM 0 HG SER A 2 17.092 -17.309 8.523 1.00 0.00 H new ATOM 19 N SER A 3 17.175 -13.325 5.368 1.00 0.00 N ATOM 20 CA SER A 3 17.446 -11.913 5.123 1.00 0.00 C ATOM 21 C SER A 3 16.852 -11.047 6.230 1.00 0.00 C ATOM 22 O SER A 3 15.672 -11.160 6.557 1.00 0.00 O ATOM 23 CB SER A 3 16.877 -11.491 3.768 1.00 0.00 C ATOM 24 OG SER A 3 15.474 -11.689 3.719 1.00 0.00 O ATOM 0 H SER A 3 16.184 -13.562 5.418 1.00 0.00 H new ATOM 0 HA SER A 3 18.527 -11.771 5.115 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.106 -10.441 3.585 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.356 -12.064 2.974 1.00 0.00 H new ATOM 0 HG SER A 3 15.099 -11.598 4.620 1.00 0.00 H new ATOM 30 N GLY A 4 17.681 -10.179 6.802 1.00 0.00 N ATOM 31 CA GLY A 4 17.222 -9.305 7.866 1.00 0.00 C ATOM 32 C GLY A 4 18.299 -8.348 8.336 1.00 0.00 C ATOM 33 O GLY A 4 19.085 -7.844 7.534 1.00 0.00 O ATOM 0 H GLY A 4 18.662 -10.065 6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.361 -8.735 7.517 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.885 -9.909 8.708 1.00 0.00 H new ATOM 37 N SER A 5 18.336 -8.096 9.641 1.00 0.00 N ATOM 38 CA SER A 5 19.321 -7.188 10.216 1.00 0.00 C ATOM 39 C SER A 5 20.705 -7.443 9.625 1.00 0.00 C ATOM 40 O SER A 5 21.390 -8.392 10.006 1.00 0.00 O ATOM 41 CB SER A 5 19.367 -7.349 11.737 1.00 0.00 C ATOM 42 OG SER A 5 18.111 -7.048 12.319 1.00 0.00 O ATOM 0 H SER A 5 17.695 -8.508 10.319 1.00 0.00 H new ATOM 0 HA SER A 5 19.023 -6.168 9.974 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.653 -8.370 11.989 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.131 -6.692 12.153 1.00 0.00 H new ATOM 0 HG SER A 5 18.166 -7.160 13.291 1.00 0.00 H new ATOM 48 N SER A 6 21.109 -6.587 8.691 1.00 0.00 N ATOM 49 CA SER A 6 22.408 -6.721 8.043 1.00 0.00 C ATOM 50 C SER A 6 23.008 -5.350 7.742 1.00 0.00 C ATOM 51 O SER A 6 22.407 -4.539 7.039 1.00 0.00 O ATOM 52 CB SER A 6 22.277 -7.528 6.751 1.00 0.00 C ATOM 53 OG SER A 6 23.509 -8.136 6.402 1.00 0.00 O ATOM 0 H SER A 6 20.555 -5.794 8.367 1.00 0.00 H new ATOM 0 HA SER A 6 23.074 -7.249 8.725 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.512 -8.294 6.873 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.948 -6.875 5.942 1.00 0.00 H new ATOM 0 HG SER A 6 23.398 -8.647 5.573 1.00 0.00 H new ATOM 59 N GLY A 7 24.198 -5.101 8.279 1.00 0.00 N ATOM 60 CA GLY A 7 24.861 -3.829 8.057 1.00 0.00 C ATOM 61 C GLY A 7 24.750 -3.361 6.619 1.00 0.00 C ATOM 62 O GLY A 7 24.454 -2.195 6.359 1.00 0.00 O ATOM 0 H GLY A 7 24.715 -5.757 8.864 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.427 -3.077 8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 7 25.913 -3.919 8.326 1.00 0.00 H new ATOM 66 N VAL A 8 24.991 -4.272 5.682 1.00 0.00 N ATOM 67 CA VAL A 8 24.918 -3.947 4.263 1.00 0.00 C ATOM 68 C VAL A 8 23.765 -2.991 3.977 1.00 0.00 C ATOM 69 O VAL A 8 22.698 -3.087 4.585 1.00 0.00 O ATOM 70 CB VAL A 8 24.745 -5.214 3.404 1.00 0.00 C ATOM 71 CG1 VAL A 8 23.519 -5.997 3.849 1.00 0.00 C ATOM 72 CG2 VAL A 8 24.650 -4.850 1.931 1.00 0.00 C ATOM 0 H VAL A 8 25.239 -5.241 5.880 1.00 0.00 H new ATOM 0 HA VAL A 8 25.860 -3.465 4.000 1.00 0.00 H new ATOM 0 HB VAL A 8 25.621 -5.848 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 8 23.413 -6.889 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 8 23.634 -6.290 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.631 -5.374 3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 8 24.528 -5.757 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 8 23.793 -4.195 1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 8 25.561 -4.336 1.624 1.00 0.00 H new ATOM 82 N LYS A 9 23.985 -2.069 3.046 1.00 0.00 N ATOM 83 CA LYS A 9 22.964 -1.095 2.677 1.00 0.00 C ATOM 84 C LYS A 9 22.424 -1.378 1.279 1.00 0.00 C ATOM 85 O LYS A 9 23.130 -1.880 0.404 1.00 0.00 O ATOM 86 CB LYS A 9 23.537 0.323 2.736 1.00 0.00 C ATOM 87 CG LYS A 9 24.504 0.636 1.608 1.00 0.00 C ATOM 88 CD LYS A 9 25.356 1.854 1.925 1.00 0.00 C ATOM 89 CE LYS A 9 24.583 3.146 1.710 1.00 0.00 C ATOM 90 NZ LYS A 9 25.049 4.229 2.620 1.00 0.00 N ATOM 0 H LYS A 9 24.862 -1.976 2.533 1.00 0.00 H new ATOM 0 HA LYS A 9 22.143 -1.178 3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 9 22.716 1.039 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 9 24.047 0.460 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.149 -0.225 1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 9 23.947 0.810 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 9 25.698 1.801 2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.245 1.851 1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 9 24.695 3.468 0.675 1.00 0.00 H new ATOM 0 HE3 LYS A 9 23.521 2.965 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 24.498 5.093 2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 24.919 3.932 3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 26.056 4.419 2.446 1.00 0.00 H new ATOM 104 N PRO A 10 21.142 -1.047 1.061 1.00 0.00 N ATOM 105 CA PRO A 10 20.480 -1.255 -0.230 1.00 0.00 C ATOM 106 C PRO A 10 21.008 -0.317 -1.310 1.00 0.00 C ATOM 107 O PRO A 10 21.626 0.710 -1.027 1.00 0.00 O ATOM 108 CB PRO A 10 19.011 -0.949 0.072 1.00 0.00 C ATOM 109 CG PRO A 10 19.048 -0.029 1.243 1.00 0.00 C ATOM 110 CD PRO A 10 20.242 -0.444 2.058 1.00 0.00 C ATOM 0 HA PRO A 10 20.650 -2.259 -0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.520 -0.483 -0.782 1.00 0.00 H new ATOM 0 HB3 PRO A 10 18.456 -1.859 0.301 1.00 0.00 H new ATOM 0 HG2 PRO A 10 19.137 1.009 0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 10 18.131 -0.104 1.828 1.00 0.00 H new ATOM 0 HD2 PRO A 10 20.706 0.408 2.554 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.969 -1.157 2.836 1.00 0.00 H new ATOM 118 N PRO A 11 20.759 -0.675 -2.579 1.00 0.00 N ATOM 119 CA PRO A 11 21.201 0.123 -3.727 1.00 0.00 C ATOM 120 C PRO A 11 20.439 1.439 -3.846 1.00 0.00 C ATOM 121 O PRO A 11 21.020 2.477 -4.166 1.00 0.00 O ATOM 122 CB PRO A 11 20.897 -0.781 -4.925 1.00 0.00 C ATOM 123 CG PRO A 11 19.794 -1.668 -4.460 1.00 0.00 C ATOM 124 CD PRO A 11 20.028 -1.885 -2.990 1.00 0.00 C ATOM 0 HA PRO A 11 22.250 0.408 -3.646 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.596 -0.197 -5.795 1.00 0.00 H new ATOM 0 HB3 PRO A 11 21.774 -1.359 -5.217 1.00 0.00 H new ATOM 0 HG2 PRO A 11 18.822 -1.207 -4.636 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.801 -2.615 -5.000 1.00 0.00 H new ATOM 0 HD2 PRO A 11 19.090 -1.992 -2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 11 20.609 -2.788 -2.805 1.00 0.00 H new ATOM 132 N HIS A 12 19.137 1.389 -3.586 1.00 0.00 N ATOM 133 CA HIS A 12 18.296 2.578 -3.663 1.00 0.00 C ATOM 134 C HIS A 12 17.607 2.844 -2.328 1.00 0.00 C ATOM 135 O HIS A 12 17.428 3.994 -1.929 1.00 0.00 O ATOM 136 CB HIS A 12 17.250 2.418 -4.767 1.00 0.00 C ATOM 137 CG HIS A 12 16.848 0.996 -5.010 1.00 0.00 C ATOM 138 ND1 HIS A 12 16.215 0.220 -4.062 1.00 0.00 N ATOM 139 CD2 HIS A 12 16.990 0.210 -6.103 1.00 0.00 C ATOM 140 CE1 HIS A 12 15.987 -0.982 -4.560 1.00 0.00 C ATOM 141 NE2 HIS A 12 16.448 -1.014 -5.797 1.00 0.00 N ATOM 0 H HIS A 12 18.641 0.538 -3.320 1.00 0.00 H new ATOM 0 HA HIS A 12 18.934 3.430 -3.898 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.365 2.997 -4.504 1.00 0.00 H new ATOM 0 HB3 HIS A 12 17.643 2.839 -5.692 1.00 0.00 H new ATOM 0 HD2 HIS A 12 17.445 0.493 -7.041 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.506 -1.799 -4.044 1.00 0.00 H new ATOM 0 HE2 HIS A 12 16.408 -1.818 -6.424 1.00 0.00 H new ATOM 150 N GLY A 13 17.222 1.772 -1.642 1.00 0.00 N ATOM 151 CA GLY A 13 16.556 1.911 -0.360 1.00 0.00 C ATOM 152 C GLY A 13 15.217 1.202 -0.322 1.00 0.00 C ATOM 153 O GLY A 13 14.280 1.665 0.329 1.00 0.00 O ATOM 0 H GLY A 13 17.359 0.810 -1.951 1.00 0.00 H new ATOM 0 HA2 GLY A 13 17.198 1.511 0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 13 16.410 2.969 -0.143 1.00 0.00 H new ATOM 157 N PHE A 14 15.125 0.077 -1.023 1.00 0.00 N ATOM 158 CA PHE A 14 13.889 -0.696 -1.069 1.00 0.00 C ATOM 159 C PHE A 14 14.148 -2.157 -0.712 1.00 0.00 C ATOM 160 O PHE A 14 15.212 -2.700 -1.009 1.00 0.00 O ATOM 161 CB PHE A 14 13.256 -0.603 -2.458 1.00 0.00 C ATOM 162 CG PHE A 14 12.604 0.722 -2.733 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.338 1.896 -2.671 1.00 0.00 C ATOM 164 CD2 PHE A 14 11.258 0.794 -3.052 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.741 3.117 -2.923 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.656 2.012 -3.306 1.00 0.00 C ATOM 167 CZ PHE A 14 11.398 3.175 -3.240 1.00 0.00 C ATOM 0 H PHE A 14 15.891 -0.320 -1.567 1.00 0.00 H new ATOM 0 HA PHE A 14 13.200 -0.278 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 14 14.023 -0.784 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.513 -1.393 -2.563 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.388 1.856 -2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.672 -0.112 -3.103 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.324 4.025 -2.872 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.606 2.054 -3.556 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.929 4.128 -3.436 1.00 0.00 H new ATOM 177 N GLN A 15 13.167 -2.787 -0.074 1.00 0.00 N ATOM 178 CA GLN A 15 13.289 -4.184 0.325 1.00 0.00 C ATOM 179 C GLN A 15 12.222 -5.038 -0.353 1.00 0.00 C ATOM 180 O GLN A 15 11.184 -4.532 -0.778 1.00 0.00 O ATOM 181 CB GLN A 15 13.174 -4.315 1.844 1.00 0.00 C ATOM 182 CG GLN A 15 14.218 -3.514 2.605 1.00 0.00 C ATOM 183 CD GLN A 15 13.754 -3.118 3.992 1.00 0.00 C ATOM 184 OE1 GLN A 15 12.568 -3.206 4.311 1.00 0.00 O ATOM 185 NE2 GLN A 15 14.689 -2.679 4.827 1.00 0.00 N ATOM 0 H GLN A 15 12.279 -2.352 0.178 1.00 0.00 H new ATOM 0 HA GLN A 15 14.270 -4.541 0.010 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.181 -3.989 2.154 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.264 -5.366 2.117 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.133 -4.101 2.686 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.465 -2.616 2.039 1.00 0.00 H new ATOM 0 HE21 GLN A 15 15.660 -2.622 4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.436 -2.399 5.774 1.00 0.00 H new ATOM 194 N LYS A 16 12.486 -6.337 -0.451 1.00 0.00 N ATOM 195 CA LYS A 16 11.549 -7.263 -1.076 1.00 0.00 C ATOM 196 C LYS A 16 10.507 -7.744 -0.071 1.00 0.00 C ATOM 197 O LYS A 16 10.789 -7.866 1.121 1.00 0.00 O ATOM 198 CB LYS A 16 12.299 -8.462 -1.662 1.00 0.00 C ATOM 199 CG LYS A 16 12.821 -8.224 -3.068 1.00 0.00 C ATOM 200 CD LYS A 16 14.066 -9.049 -3.348 1.00 0.00 C ATOM 201 CE LYS A 16 14.196 -9.379 -4.827 1.00 0.00 C ATOM 202 NZ LYS A 16 15.514 -9.995 -5.145 1.00 0.00 N ATOM 0 H LYS A 16 13.341 -6.772 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 16 11.036 -6.734 -1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.136 -8.710 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.635 -9.326 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.046 -8.476 -3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.048 -7.166 -3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.948 -8.501 -3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.029 -9.972 -2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.397 -10.061 -5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.069 -8.470 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.563 -10.205 -6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.276 -9.335 -4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.625 -10.876 -4.604 1.00 0.00 H new ATOM 216 N LYS A 17 9.302 -8.018 -0.560 1.00 0.00 N ATOM 217 CA LYS A 17 8.218 -8.489 0.293 1.00 0.00 C ATOM 218 C LYS A 17 7.735 -7.378 1.221 1.00 0.00 C ATOM 219 O LYS A 17 7.211 -7.645 2.303 1.00 0.00 O ATOM 220 CB LYS A 17 8.677 -9.693 1.118 1.00 0.00 C ATOM 221 CG LYS A 17 9.419 -10.740 0.306 1.00 0.00 C ATOM 222 CD LYS A 17 9.719 -11.979 1.132 1.00 0.00 C ATOM 223 CE LYS A 17 8.443 -12.706 1.529 1.00 0.00 C ATOM 224 NZ LYS A 17 8.727 -14.040 2.128 1.00 0.00 N ATOM 0 H LYS A 17 9.052 -7.922 -1.544 1.00 0.00 H new ATOM 0 HA LYS A 17 7.389 -8.790 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.323 -9.345 1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.807 -10.156 1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.823 -11.017 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.351 -10.317 -0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.360 -12.651 0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.271 -11.696 2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.886 -12.099 2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.808 -12.830 0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.832 -14.503 2.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.236 -14.629 1.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.312 -13.921 2.980 1.00 0.00 H new ATOM 238 N MET A 18 7.913 -6.134 0.790 1.00 0.00 N ATOM 239 CA MET A 18 7.492 -4.984 1.581 1.00 0.00 C ATOM 240 C MET A 18 6.296 -4.289 0.937 1.00 0.00 C ATOM 241 O MET A 18 5.872 -4.650 -0.161 1.00 0.00 O ATOM 242 CB MET A 18 8.648 -3.994 1.737 1.00 0.00 C ATOM 243 CG MET A 18 8.786 -3.031 0.570 1.00 0.00 C ATOM 244 SD MET A 18 9.980 -1.719 0.889 1.00 0.00 S ATOM 245 CE MET A 18 9.767 -0.705 -0.572 1.00 0.00 C ATOM 0 H MET A 18 8.346 -5.896 -0.103 1.00 0.00 H new ATOM 0 HA MET A 18 7.194 -5.342 2.566 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.504 -3.422 2.654 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.579 -4.550 1.850 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.089 -3.585 -0.319 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.814 -2.588 0.353 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.981 0.335 -0.327 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.450 -1.042 -1.352 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.740 -0.790 -0.927 1.00 0.00 H new ATOM 255 N LYS A 19 5.756 -3.290 1.627 1.00 0.00 N ATOM 256 CA LYS A 19 4.610 -2.544 1.123 1.00 0.00 C ATOM 257 C LYS A 19 4.986 -1.092 0.844 1.00 0.00 C ATOM 258 O LYS A 19 5.850 -0.524 1.513 1.00 0.00 O ATOM 259 CB LYS A 19 3.457 -2.598 2.128 1.00 0.00 C ATOM 260 CG LYS A 19 2.820 -3.972 2.248 1.00 0.00 C ATOM 261 CD LYS A 19 2.165 -4.399 0.945 1.00 0.00 C ATOM 262 CE LYS A 19 0.979 -5.318 1.192 1.00 0.00 C ATOM 263 NZ LYS A 19 0.073 -4.784 2.246 1.00 0.00 N ATOM 0 H LYS A 19 6.094 -2.978 2.537 1.00 0.00 H new ATOM 0 HA LYS A 19 4.291 -3.005 0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.824 -2.290 3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.694 -1.877 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.578 -4.702 2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.075 -3.961 3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.835 -3.517 0.396 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.897 -4.909 0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.421 -5.447 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.339 -6.304 1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.916 -4.964 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.278 -5.254 3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.223 -3.760 2.347 1.00 0.00 H new ATOM 277 N LEU A 20 4.332 -0.496 -0.147 1.00 0.00 N ATOM 278 CA LEU A 20 4.596 0.891 -0.514 1.00 0.00 C ATOM 279 C LEU A 20 3.469 1.451 -1.375 1.00 0.00 C ATOM 280 O LEU A 20 2.918 0.751 -2.224 1.00 0.00 O ATOM 281 CB LEU A 20 5.926 0.996 -1.262 1.00 0.00 C ATOM 282 CG LEU A 20 5.847 0.907 -2.787 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.676 2.291 -3.394 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.088 0.227 -3.346 1.00 0.00 C ATOM 0 H LEU A 20 3.615 -0.952 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 20 4.654 1.479 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.395 1.944 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.584 0.204 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 20 4.977 0.306 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.622 2.208 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.758 2.742 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.526 2.916 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.015 0.172 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.973 0.801 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.167 -0.780 -2.936 1.00 0.00 H new ATOM 296 N GLU A 21 3.134 2.718 -1.151 1.00 0.00 N ATOM 297 CA GLU A 21 2.073 3.372 -1.908 1.00 0.00 C ATOM 298 C GLU A 21 2.589 3.855 -3.261 1.00 0.00 C ATOM 299 O GLU A 21 3.440 4.742 -3.332 1.00 0.00 O ATOM 300 CB GLU A 21 1.503 4.551 -1.116 1.00 0.00 C ATOM 301 CG GLU A 21 0.662 4.132 0.078 1.00 0.00 C ATOM 302 CD GLU A 21 -0.130 5.283 0.666 1.00 0.00 C ATOM 303 OE1 GLU A 21 0.107 6.438 0.253 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.986 5.030 1.540 1.00 0.00 O ATOM 0 H GLU A 21 3.581 3.311 -0.452 1.00 0.00 H new ATOM 0 HA GLU A 21 1.281 2.643 -2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.326 5.176 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.895 5.164 -1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.024 3.341 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.312 3.713 0.846 1.00 0.00 H new ATOM 311 N VAL A 22 2.067 3.266 -4.332 1.00 0.00 N ATOM 312 CA VAL A 22 2.473 3.636 -5.682 1.00 0.00 C ATOM 313 C VAL A 22 1.368 4.403 -6.398 1.00 0.00 C ATOM 314 O VAL A 22 0.187 4.079 -6.267 1.00 0.00 O ATOM 315 CB VAL A 22 2.845 2.395 -6.516 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.287 2.803 -7.913 1.00 0.00 C ATOM 317 CG2 VAL A 22 3.930 1.590 -5.818 1.00 0.00 C ATOM 0 H VAL A 22 1.362 2.530 -4.291 1.00 0.00 H new ATOM 0 HA VAL A 22 3.350 4.276 -5.584 1.00 0.00 H new ATOM 0 HB VAL A 22 1.961 1.764 -6.611 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.546 1.913 -8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.475 3.333 -8.411 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.157 3.455 -7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.180 0.717 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.818 2.210 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.571 1.265 -4.841 1.00 0.00 H new ATOM 327 N VAL A 23 1.758 5.423 -7.156 1.00 0.00 N ATOM 328 CA VAL A 23 0.800 6.237 -7.894 1.00 0.00 C ATOM 329 C VAL A 23 0.478 5.614 -9.248 1.00 0.00 C ATOM 330 O VAL A 23 1.345 5.507 -10.115 1.00 0.00 O ATOM 331 CB VAL A 23 1.329 7.667 -8.112 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.341 8.483 -8.932 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.610 8.340 -6.777 1.00 0.00 C ATOM 0 H VAL A 23 2.731 5.705 -7.275 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.108 6.281 -7.292 1.00 0.00 H new ATOM 0 HB VAL A 23 2.265 7.609 -8.668 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.732 9.490 -9.076 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.195 8.009 -9.902 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.612 8.535 -8.406 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.983 9.349 -6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.691 8.388 -6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.358 7.766 -6.230 1.00 0.00 H new ATOM 343 N ASP A 24 -0.774 5.206 -9.422 1.00 0.00 N ATOM 344 CA ASP A 24 -1.212 4.595 -10.672 1.00 0.00 C ATOM 345 C ASP A 24 -0.859 5.480 -11.863 1.00 0.00 C ATOM 346 O ASP A 24 -1.451 6.542 -12.058 1.00 0.00 O ATOM 347 CB ASP A 24 -2.720 4.340 -10.639 1.00 0.00 C ATOM 348 CG ASP A 24 -3.132 3.189 -11.535 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.284 2.312 -11.804 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.304 3.165 -11.968 1.00 0.00 O ATOM 0 H ASP A 24 -1.504 5.287 -8.714 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.693 3.643 -10.784 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.027 4.128 -9.615 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.245 5.244 -10.948 1.00 0.00 H new ATOM 355 N LYS A 25 0.110 5.037 -12.656 1.00 0.00 N ATOM 356 CA LYS A 25 0.543 5.788 -13.829 1.00 0.00 C ATOM 357 C LYS A 25 -0.654 6.358 -14.582 1.00 0.00 C ATOM 358 O LYS A 25 -0.765 7.571 -14.762 1.00 0.00 O ATOM 359 CB LYS A 25 1.365 4.892 -14.759 1.00 0.00 C ATOM 360 CG LYS A 25 2.085 3.765 -14.038 1.00 0.00 C ATOM 361 CD LYS A 25 2.870 4.280 -12.843 1.00 0.00 C ATOM 362 CE LYS A 25 4.253 4.765 -13.252 1.00 0.00 C ATOM 363 NZ LYS A 25 5.186 3.633 -13.504 1.00 0.00 N ATOM 0 H LYS A 25 0.611 4.161 -12.508 1.00 0.00 H new ATOM 0 HA LYS A 25 1.165 6.617 -13.490 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.706 4.466 -15.515 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.099 5.504 -15.284 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.360 3.022 -13.705 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.761 3.263 -14.730 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.322 5.095 -12.370 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.966 3.488 -12.100 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.172 5.376 -14.151 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.660 5.404 -12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.156 3.922 -13.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.912 2.820 -12.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.143 3.365 -14.508 1.00 0.00 H new ATOM 377 N ARG A 26 -1.548 5.476 -15.019 1.00 0.00 N ATOM 378 CA ARG A 26 -2.737 5.893 -15.752 1.00 0.00 C ATOM 379 C ARG A 26 -3.602 6.820 -14.903 1.00 0.00 C ATOM 380 O ARG A 26 -4.270 7.712 -15.425 1.00 0.00 O ATOM 381 CB ARG A 26 -3.550 4.671 -16.184 1.00 0.00 C ATOM 382 CG ARG A 26 -3.803 3.680 -15.060 1.00 0.00 C ATOM 383 CD ARG A 26 -3.742 2.245 -15.558 1.00 0.00 C ATOM 384 NE ARG A 26 -2.419 1.899 -16.071 1.00 0.00 N ATOM 385 CZ ARG A 26 -2.171 0.809 -16.787 1.00 0.00 C ATOM 386 NH1 ARG A 26 -3.150 -0.038 -17.075 1.00 0.00 N ATOM 387 NH2 ARG A 26 -0.940 0.563 -17.219 1.00 0.00 N ATOM 0 H ARG A 26 -1.471 4.469 -14.878 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.414 6.438 -16.639 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.507 5.005 -16.585 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.025 4.163 -16.993 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.063 3.825 -14.273 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.781 3.872 -14.618 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.004 1.568 -14.745 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.484 2.102 -16.344 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.643 2.529 -15.868 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.098 0.147 -16.746 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.955 -0.874 -17.625 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.184 1.212 -17.001 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.750 -0.275 -17.769 1.00 0.00 H new ATOM 401 N ASN A 27 -3.585 6.600 -13.592 1.00 0.00 N ATOM 402 CA ASN A 27 -4.370 7.415 -12.671 1.00 0.00 C ATOM 403 C ASN A 27 -3.486 7.995 -11.571 1.00 0.00 C ATOM 404 O ASN A 27 -3.276 7.384 -10.523 1.00 0.00 O ATOM 405 CB ASN A 27 -5.494 6.582 -12.052 1.00 0.00 C ATOM 406 CG ASN A 27 -6.218 5.734 -13.080 1.00 0.00 C ATOM 407 OD1 ASN A 27 -6.040 5.912 -14.285 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.040 4.805 -12.606 1.00 0.00 N ATOM 0 H ASN A 27 -3.037 5.865 -13.144 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.806 8.239 -13.235 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.080 5.936 -11.278 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -6.208 7.246 -11.564 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.555 4.203 -13.249 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.157 4.693 -11.599 1.00 0.00 H new ATOM 415 N PRO A 28 -2.956 9.203 -11.812 1.00 0.00 N ATOM 416 CA PRO A 28 -2.088 9.893 -10.853 1.00 0.00 C ATOM 417 C PRO A 28 -2.848 10.365 -9.619 1.00 0.00 C ATOM 418 O PRO A 28 -2.250 10.646 -8.580 1.00 0.00 O ATOM 419 CB PRO A 28 -1.563 11.091 -11.649 1.00 0.00 C ATOM 420 CG PRO A 28 -2.599 11.338 -12.690 1.00 0.00 C ATOM 421 CD PRO A 28 -3.164 9.989 -13.040 1.00 0.00 C ATOM 0 HA PRO A 28 -1.303 9.241 -10.470 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.429 11.963 -11.009 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.594 10.874 -12.099 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.378 12.002 -12.316 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.165 11.819 -13.567 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.220 10.052 -13.303 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.649 9.546 -13.893 1.00 0.00 H new ATOM 429 N MET A 29 -4.169 10.449 -9.739 1.00 0.00 N ATOM 430 CA MET A 29 -5.011 10.885 -8.631 1.00 0.00 C ATOM 431 C MET A 29 -5.513 9.691 -7.826 1.00 0.00 C ATOM 432 O MET A 29 -6.440 9.815 -7.025 1.00 0.00 O ATOM 433 CB MET A 29 -6.196 11.699 -9.152 1.00 0.00 C ATOM 434 CG MET A 29 -5.838 13.131 -9.515 1.00 0.00 C ATOM 435 SD MET A 29 -7.028 13.880 -10.644 1.00 0.00 S ATOM 436 CE MET A 29 -5.993 14.182 -12.075 1.00 0.00 C ATOM 0 H MET A 29 -4.679 10.221 -10.592 1.00 0.00 H new ATOM 0 HA MET A 29 -4.408 11.514 -7.976 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.609 11.203 -10.030 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.980 11.710 -8.394 1.00 0.00 H new ATOM 0 HG2 MET A 29 -5.780 13.729 -8.605 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.848 13.149 -9.972 1.00 0.00 H new ATOM 0 HE1 MET A 29 -6.587 14.645 -12.863 1.00 0.00 H new ATOM 0 HE2 MET A 29 -5.175 14.848 -11.799 1.00 0.00 H new ATOM 0 HE3 MET A 29 -5.586 13.237 -12.435 1.00 0.00 H new ATOM 446 N PHE A 30 -4.896 8.534 -8.045 1.00 0.00 N ATOM 447 CA PHE A 30 -5.282 7.317 -7.341 1.00 0.00 C ATOM 448 C PHE A 30 -4.052 6.558 -6.852 1.00 0.00 C ATOM 449 O PHE A 30 -3.197 6.164 -7.646 1.00 0.00 O ATOM 450 CB PHE A 30 -6.121 6.419 -8.253 1.00 0.00 C ATOM 451 CG PHE A 30 -7.565 6.824 -8.330 1.00 0.00 C ATOM 452 CD1 PHE A 30 -7.948 7.938 -9.059 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.540 6.091 -7.673 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.276 8.314 -9.130 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.870 6.461 -7.741 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.238 7.573 -8.472 1.00 0.00 C ATOM 0 H PHE A 30 -4.127 8.414 -8.704 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.879 7.602 -6.475 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.694 6.433 -9.256 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.059 5.391 -7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.200 8.519 -9.578 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.257 5.220 -7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.561 9.186 -9.699 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.620 5.881 -7.223 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.277 7.863 -8.529 1.00 0.00 H new ATOM 466 N ILE A 31 -3.970 6.357 -5.541 1.00 0.00 N ATOM 467 CA ILE A 31 -2.846 5.645 -4.947 1.00 0.00 C ATOM 468 C ILE A 31 -3.319 4.420 -4.171 1.00 0.00 C ATOM 469 O ILE A 31 -4.333 4.468 -3.475 1.00 0.00 O ATOM 470 CB ILE A 31 -2.038 6.556 -4.003 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.548 7.797 -4.753 1.00 0.00 C ATOM 472 CG2 ILE A 31 -0.865 5.793 -3.407 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.187 8.949 -3.842 1.00 0.00 C ATOM 0 H ILE A 31 -4.669 6.677 -4.870 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.205 5.326 -5.769 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.687 6.879 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.677 7.530 -5.351 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.323 8.122 -5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.304 6.450 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.236 4.937 -2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.213 5.444 -4.208 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.848 9.794 -4.441 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.062 9.243 -3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.390 8.641 -3.165 1.00 0.00 H new ATOM 485 N ARG A 32 -2.576 3.325 -4.295 1.00 0.00 N ATOM 486 CA ARG A 32 -2.919 2.087 -3.605 1.00 0.00 C ATOM 487 C ARG A 32 -1.672 1.421 -3.031 1.00 0.00 C ATOM 488 O ARG A 32 -0.556 1.907 -3.214 1.00 0.00 O ATOM 489 CB ARG A 32 -3.630 1.126 -4.560 1.00 0.00 C ATOM 490 CG ARG A 32 -4.815 1.749 -5.280 1.00 0.00 C ATOM 491 CD ARG A 32 -5.025 1.123 -6.650 1.00 0.00 C ATOM 492 NE ARG A 32 -5.758 2.009 -7.550 1.00 0.00 N ATOM 493 CZ ARG A 32 -7.043 2.312 -7.399 1.00 0.00 C ATOM 494 NH1 ARG A 32 -7.732 1.803 -6.387 1.00 0.00 N ATOM 495 NH2 ARG A 32 -7.639 3.127 -8.260 1.00 0.00 N ATOM 0 H ARG A 32 -1.733 3.270 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.590 2.333 -2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.914 0.766 -5.299 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.973 0.257 -3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.715 1.622 -4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.653 2.821 -5.389 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.058 0.880 -7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.570 0.186 -6.540 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.256 2.418 -8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.276 1.178 -5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.718 2.037 -6.273 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.111 3.521 -9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.625 3.359 -8.143 1.00 0.00 H new ATOM 509 N VAL A 33 -1.870 0.306 -2.335 1.00 0.00 N ATOM 510 CA VAL A 33 -0.762 -0.427 -1.735 1.00 0.00 C ATOM 511 C VAL A 33 -0.062 -1.306 -2.766 1.00 0.00 C ATOM 512 O VAL A 33 -0.710 -1.944 -3.595 1.00 0.00 O ATOM 513 CB VAL A 33 -1.240 -1.308 -0.565 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.087 -2.130 -0.010 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.868 -0.451 0.524 1.00 0.00 C ATOM 0 H VAL A 33 -2.787 -0.109 -2.173 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.059 0.315 -1.357 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.999 -1.996 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.444 -2.746 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.313 -2.772 -0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.697 -1.462 0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.200 -1.089 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.132 0.262 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.722 0.089 0.115 1.00 0.00 H new ATOM 525 N ALA A 34 1.265 -1.335 -2.707 1.00 0.00 N ATOM 526 CA ALA A 34 2.054 -2.138 -3.633 1.00 0.00 C ATOM 527 C ALA A 34 2.958 -3.111 -2.884 1.00 0.00 C ATOM 528 O ALA A 34 3.145 -2.995 -1.672 1.00 0.00 O ATOM 529 CB ALA A 34 2.879 -1.239 -4.541 1.00 0.00 C ATOM 0 H ALA A 34 1.817 -0.811 -2.027 1.00 0.00 H new ATOM 0 HA ALA A 34 1.367 -2.721 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.463 -1.852 -5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.215 -0.589 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.551 -0.630 -3.937 1.00 0.00 H new ATOM 535 N THR A 35 3.519 -4.072 -3.613 1.00 0.00 N ATOM 536 CA THR A 35 4.402 -5.066 -3.017 1.00 0.00 C ATOM 537 C THR A 35 5.665 -5.250 -3.851 1.00 0.00 C ATOM 538 O THR A 35 5.607 -5.723 -4.987 1.00 0.00 O ATOM 539 CB THR A 35 3.697 -6.427 -2.867 1.00 0.00 C ATOM 540 OG1 THR A 35 2.536 -6.288 -2.041 1.00 0.00 O ATOM 541 CG2 THR A 35 4.636 -7.459 -2.262 1.00 0.00 C ATOM 0 H THR A 35 3.377 -4.182 -4.617 1.00 0.00 H new ATOM 0 HA THR A 35 4.673 -4.695 -2.029 1.00 0.00 H new ATOM 0 HB THR A 35 3.398 -6.768 -3.858 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.092 -7.157 -1.952 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.116 -8.412 -2.166 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.505 -7.583 -2.908 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.961 -7.122 -1.278 1.00 0.00 H new ATOM 549 N VAL A 36 6.805 -4.873 -3.282 1.00 0.00 N ATOM 550 CA VAL A 36 8.083 -4.999 -3.973 1.00 0.00 C ATOM 551 C VAL A 36 8.419 -6.461 -4.245 1.00 0.00 C ATOM 552 O VAL A 36 8.847 -7.187 -3.349 1.00 0.00 O ATOM 553 CB VAL A 36 9.226 -4.364 -3.160 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.511 -4.337 -3.974 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.843 -2.963 -2.707 1.00 0.00 C ATOM 0 H VAL A 36 6.870 -4.478 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 36 7.984 -4.470 -4.921 1.00 0.00 H new ATOM 0 HB VAL A 36 9.399 -4.974 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.307 -3.885 -3.382 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.793 -5.355 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.355 -3.752 -4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.662 -2.529 -2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.641 -2.341 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.951 -3.014 -2.083 1.00 0.00 H new ATOM 565 N ALA A 37 8.223 -6.886 -5.489 1.00 0.00 N ATOM 566 CA ALA A 37 8.507 -8.261 -5.881 1.00 0.00 C ATOM 567 C ALA A 37 9.981 -8.438 -6.228 1.00 0.00 C ATOM 568 O ALA A 37 10.614 -9.410 -5.815 1.00 0.00 O ATOM 569 CB ALA A 37 7.633 -8.666 -7.058 1.00 0.00 C ATOM 0 H ALA A 37 7.868 -6.297 -6.243 1.00 0.00 H new ATOM 0 HA ALA A 37 8.279 -8.909 -5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.856 -9.695 -7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.583 -8.586 -6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.833 -8.007 -7.903 1.00 0.00 H new ATOM 575 N ASP A 38 10.522 -7.494 -6.991 1.00 0.00 N ATOM 576 CA ASP A 38 11.923 -7.547 -7.394 1.00 0.00 C ATOM 577 C ASP A 38 12.578 -6.175 -7.262 1.00 0.00 C ATOM 578 O ASP A 38 11.962 -5.150 -7.554 1.00 0.00 O ATOM 579 CB ASP A 38 12.043 -8.047 -8.834 1.00 0.00 C ATOM 580 CG ASP A 38 13.356 -8.758 -9.093 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.393 -8.301 -8.566 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.348 -9.773 -9.821 1.00 0.00 O ATOM 0 H ASP A 38 10.012 -6.684 -7.343 1.00 0.00 H new ATOM 0 HA ASP A 38 12.440 -8.242 -6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.217 -8.725 -9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.949 -7.203 -9.517 1.00 0.00 H new ATOM 587 N THR A 39 13.832 -6.164 -6.820 1.00 0.00 N ATOM 588 CA THR A 39 14.570 -4.919 -6.647 1.00 0.00 C ATOM 589 C THR A 39 15.783 -4.866 -7.569 1.00 0.00 C ATOM 590 O THR A 39 16.755 -5.596 -7.373 1.00 0.00 O ATOM 591 CB THR A 39 15.038 -4.741 -5.190 1.00 0.00 C ATOM 592 OG1 THR A 39 15.789 -5.887 -4.773 1.00 0.00 O ATOM 593 CG2 THR A 39 13.850 -4.541 -4.261 1.00 0.00 C ATOM 0 H THR A 39 14.357 -7.003 -6.575 1.00 0.00 H new ATOM 0 HA THR A 39 13.887 -4.109 -6.903 1.00 0.00 H new ATOM 0 HB THR A 39 15.671 -3.855 -5.140 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.358 -6.192 -5.511 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.205 -4.418 -3.238 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.297 -3.651 -4.563 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.195 -5.411 -4.315 1.00 0.00 H new ATOM 601 N ASP A 40 15.719 -4.000 -8.573 1.00 0.00 N ATOM 602 CA ASP A 40 16.814 -3.851 -9.525 1.00 0.00 C ATOM 603 C ASP A 40 17.862 -2.874 -9.000 1.00 0.00 C ATOM 604 O ASP A 40 17.761 -2.386 -7.874 1.00 0.00 O ATOM 605 CB ASP A 40 16.282 -3.369 -10.876 1.00 0.00 C ATOM 606 CG ASP A 40 17.131 -3.849 -12.036 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.517 -5.037 -12.038 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.408 -3.037 -12.944 1.00 0.00 O ATOM 0 H ASP A 40 14.921 -3.390 -8.749 1.00 0.00 H new ATOM 0 HA ASP A 40 17.284 -4.826 -9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.259 -3.722 -11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.246 -2.280 -10.882 1.00 0.00 H new ATOM 613 N ASP A 41 18.867 -2.594 -9.822 1.00 0.00 N ATOM 614 CA ASP A 41 19.934 -1.676 -9.440 1.00 0.00 C ATOM 615 C ASP A 41 19.359 -0.359 -8.926 1.00 0.00 C ATOM 616 O ASP A 41 19.524 -0.013 -7.756 1.00 0.00 O ATOM 617 CB ASP A 41 20.859 -1.414 -10.629 1.00 0.00 C ATOM 618 CG ASP A 41 21.481 -2.686 -11.171 1.00 0.00 C ATOM 619 OD1 ASP A 41 21.539 -3.683 -10.421 1.00 0.00 O ATOM 620 OD2 ASP A 41 21.910 -2.684 -12.344 1.00 0.00 O ATOM 0 H ASP A 41 18.965 -2.989 -10.757 1.00 0.00 H new ATOM 0 HA ASP A 41 20.509 -2.138 -8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.296 -0.922 -11.422 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.649 -0.727 -10.326 1.00 0.00 H new ATOM 625 N HIS A 42 18.686 0.371 -9.809 1.00 0.00 N ATOM 626 CA HIS A 42 18.087 1.650 -9.445 1.00 0.00 C ATOM 627 C HIS A 42 16.580 1.631 -9.678 1.00 0.00 C ATOM 628 O HIS A 42 15.963 2.672 -9.904 1.00 0.00 O ATOM 629 CB HIS A 42 18.725 2.783 -10.250 1.00 0.00 C ATOM 630 CG HIS A 42 20.155 2.529 -10.614 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.215 3.116 -9.955 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.699 1.743 -11.572 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.348 2.704 -10.494 1.00 0.00 C ATOM 634 NE2 HIS A 42 22.063 1.869 -11.478 1.00 0.00 N ATOM 0 H HIS A 42 18.542 0.099 -10.781 1.00 0.00 H new ATOM 0 HA HIS A 42 18.270 1.820 -8.384 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.149 2.938 -11.162 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.664 3.706 -9.673 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.160 1.130 -12.279 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.339 2.999 -10.183 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.745 1.396 -12.071 1.00 0.00 H new ATOM 643 N ARG A 43 15.992 0.440 -9.621 1.00 0.00 N ATOM 644 CA ARG A 43 14.557 0.285 -9.827 1.00 0.00 C ATOM 645 C ARG A 43 14.005 -0.852 -8.973 1.00 0.00 C ATOM 646 O ARG A 43 14.761 -1.622 -8.381 1.00 0.00 O ATOM 647 CB ARG A 43 14.259 0.019 -11.304 1.00 0.00 C ATOM 648 CG ARG A 43 14.972 0.971 -12.250 1.00 0.00 C ATOM 649 CD ARG A 43 14.245 1.081 -13.581 1.00 0.00 C ATOM 650 NE ARG A 43 14.653 2.266 -14.331 1.00 0.00 N ATOM 651 CZ ARG A 43 15.825 2.379 -14.946 1.00 0.00 C ATOM 652 NH1 ARG A 43 16.700 1.384 -14.900 1.00 0.00 N ATOM 653 NH2 ARG A 43 16.124 3.489 -15.609 1.00 0.00 N ATOM 0 H ARG A 43 16.488 -0.432 -9.434 1.00 0.00 H new ATOM 0 HA ARG A 43 14.069 1.212 -9.526 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.548 -1.004 -11.546 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.184 0.094 -11.468 1.00 0.00 H new ATOM 0 HG2 ARG A 43 15.043 1.957 -11.791 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.991 0.623 -12.418 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.442 0.190 -14.176 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.170 1.116 -13.405 1.00 0.00 H new ATOM 0 HE ARG A 43 14.002 3.050 -14.386 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.474 0.529 -14.392 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.599 1.473 -15.373 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.454 4.257 -15.647 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.024 3.574 -16.081 1.00 0.00 H new ATOM 667 N VAL A 44 12.681 -0.951 -8.913 1.00 0.00 N ATOM 668 CA VAL A 44 12.027 -1.994 -8.132 1.00 0.00 C ATOM 669 C VAL A 44 10.634 -2.296 -8.675 1.00 0.00 C ATOM 670 O VAL A 44 9.789 -1.406 -8.778 1.00 0.00 O ATOM 671 CB VAL A 44 11.912 -1.596 -6.648 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.291 -1.371 -6.048 1.00 0.00 C ATOM 673 CG2 VAL A 44 11.046 -0.354 -6.496 1.00 0.00 C ATOM 0 H VAL A 44 12.040 -0.321 -9.396 1.00 0.00 H new ATOM 0 HA VAL A 44 12.647 -2.886 -8.214 1.00 0.00 H new ATOM 0 HB VAL A 44 11.435 -2.412 -6.106 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.190 -1.091 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.875 -2.288 -6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.798 -0.573 -6.590 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.975 -0.087 -5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.493 0.471 -7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.049 -0.556 -6.887 1.00 0.00 H new ATOM 683 N LYS A 45 10.401 -3.557 -9.021 1.00 0.00 N ATOM 684 CA LYS A 45 9.110 -3.979 -9.552 1.00 0.00 C ATOM 685 C LYS A 45 8.029 -3.903 -8.479 1.00 0.00 C ATOM 686 O LYS A 45 8.053 -4.656 -7.505 1.00 0.00 O ATOM 687 CB LYS A 45 9.202 -5.405 -10.099 1.00 0.00 C ATOM 688 CG LYS A 45 7.994 -5.820 -10.921 1.00 0.00 C ATOM 689 CD LYS A 45 8.279 -7.068 -11.740 1.00 0.00 C ATOM 690 CE LYS A 45 7.453 -7.097 -13.017 1.00 0.00 C ATOM 691 NZ LYS A 45 7.227 -8.488 -13.500 1.00 0.00 N ATOM 0 H LYS A 45 11.090 -4.305 -8.943 1.00 0.00 H new ATOM 0 HA LYS A 45 8.840 -3.302 -10.363 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.097 -5.492 -10.715 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.320 -6.098 -9.266 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.148 -6.004 -10.259 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.708 -5.005 -11.586 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.339 -7.106 -11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.060 -7.954 -11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.492 -6.614 -12.839 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.961 -6.522 -13.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.660 -8.465 -14.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.143 -8.941 -13.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.720 -9.030 -12.772 1.00 0.00 H new ATOM 705 N VAL A 46 7.080 -2.990 -8.664 1.00 0.00 N ATOM 706 CA VAL A 46 5.989 -2.818 -7.712 1.00 0.00 C ATOM 707 C VAL A 46 4.737 -3.557 -8.173 1.00 0.00 C ATOM 708 O VAL A 46 4.167 -3.243 -9.218 1.00 0.00 O ATOM 709 CB VAL A 46 5.648 -1.330 -7.512 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.756 -0.628 -6.740 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.410 -0.653 -8.853 1.00 0.00 C ATOM 0 H VAL A 46 7.045 -2.358 -9.464 1.00 0.00 H new ATOM 0 HA VAL A 46 6.327 -3.236 -6.764 1.00 0.00 H new ATOM 0 HB VAL A 46 4.730 -1.260 -6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.498 0.423 -6.608 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.874 -1.098 -5.764 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.691 -0.705 -7.295 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.170 0.398 -8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.309 -0.731 -9.465 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.580 -1.140 -9.364 1.00 0.00 H new ATOM 721 N HIS A 47 4.313 -4.540 -7.385 1.00 0.00 N ATOM 722 CA HIS A 47 3.127 -5.324 -7.711 1.00 0.00 C ATOM 723 C HIS A 47 1.974 -4.979 -6.774 1.00 0.00 C ATOM 724 O HIS A 47 2.104 -5.071 -5.553 1.00 0.00 O ATOM 725 CB HIS A 47 3.439 -6.819 -7.627 1.00 0.00 C ATOM 726 CG HIS A 47 2.224 -7.690 -7.718 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.889 -8.398 -8.853 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.262 -7.966 -6.807 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.773 -9.071 -8.636 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.373 -8.826 -7.402 1.00 0.00 N ATOM 0 H HIS A 47 4.773 -4.813 -6.516 1.00 0.00 H new ATOM 0 HA HIS A 47 2.829 -5.080 -8.731 1.00 0.00 H new ATOM 0 HB2 HIS A 47 4.127 -7.084 -8.430 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.952 -7.022 -6.687 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.420 -8.402 -9.724 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.205 -7.581 -5.800 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.273 -9.712 -9.347 1.00 0.00 H new ATOM 739 N PHE A 48 0.846 -4.582 -7.353 1.00 0.00 N ATOM 740 CA PHE A 48 -0.330 -4.222 -6.570 1.00 0.00 C ATOM 741 C PHE A 48 -1.022 -5.468 -6.023 1.00 0.00 C ATOM 742 O PHE A 48 -1.765 -6.142 -6.737 1.00 0.00 O ATOM 743 CB PHE A 48 -1.310 -3.414 -7.423 1.00 0.00 C ATOM 744 CG PHE A 48 -0.850 -2.010 -7.696 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.402 -1.770 -8.238 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.670 -0.931 -7.410 1.00 0.00 C ATOM 747 CE1 PHE A 48 0.828 -0.480 -8.491 1.00 0.00 C ATOM 748 CE2 PHE A 48 -1.250 0.362 -7.661 1.00 0.00 C ATOM 749 CZ PHE A 48 0.001 0.587 -8.201 1.00 0.00 C ATOM 0 H PHE A 48 0.721 -4.501 -8.362 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.002 -3.611 -5.729 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.464 -3.929 -8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.276 -3.380 -6.919 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.053 -2.601 -8.466 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.649 -1.102 -6.986 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.806 -0.307 -8.915 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.899 1.195 -7.435 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.332 1.596 -8.396 1.00 0.00 H new ATOM 759 N ASP A 49 -0.772 -5.767 -4.753 1.00 0.00 N ATOM 760 CA ASP A 49 -1.370 -6.931 -4.110 1.00 0.00 C ATOM 761 C ASP A 49 -2.801 -7.143 -4.594 1.00 0.00 C ATOM 762 O ASP A 49 -3.657 -6.275 -4.433 1.00 0.00 O ATOM 763 CB ASP A 49 -1.352 -6.765 -2.590 1.00 0.00 C ATOM 764 CG ASP A 49 -1.277 -8.094 -1.863 1.00 0.00 C ATOM 765 OD1 ASP A 49 -2.208 -8.911 -2.025 1.00 0.00 O ATOM 766 OD2 ASP A 49 -0.289 -8.317 -1.132 1.00 0.00 O ATOM 0 H ASP A 49 -0.159 -5.219 -4.149 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.781 -7.808 -4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.499 -6.150 -2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.249 -6.232 -2.275 1.00 0.00 H new ATOM 771 N GLY A 50 -3.053 -8.306 -5.188 1.00 0.00 N ATOM 772 CA GLY A 50 -4.381 -8.611 -5.688 1.00 0.00 C ATOM 773 C GLY A 50 -4.463 -8.540 -7.200 1.00 0.00 C ATOM 774 O GLY A 50 -4.980 -9.453 -7.843 1.00 0.00 O ATOM 0 H GLY A 50 -2.361 -9.042 -5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.669 -9.609 -5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.098 -7.913 -5.255 1.00 0.00 H new ATOM 778 N TRP A 51 -3.953 -7.452 -7.767 1.00 0.00 N ATOM 779 CA TRP A 51 -3.973 -7.265 -9.213 1.00 0.00 C ATOM 780 C TRP A 51 -3.212 -8.383 -9.917 1.00 0.00 C ATOM 781 O TRP A 51 -2.186 -8.852 -9.427 1.00 0.00 O ATOM 782 CB TRP A 51 -3.367 -5.909 -9.581 1.00 0.00 C ATOM 783 CG TRP A 51 -4.177 -4.746 -9.095 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.289 -4.306 -7.807 1.00 0.00 C ATOM 785 CD2 TRP A 51 -4.989 -3.875 -9.890 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.122 -3.214 -7.754 1.00 0.00 N ATOM 787 CE2 TRP A 51 -5.563 -2.929 -9.019 1.00 0.00 C ATOM 788 CE3 TRP A 51 -5.285 -3.801 -11.254 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -6.416 -1.925 -9.468 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -6.131 -2.803 -11.699 1.00 0.00 C ATOM 791 CH2 TRP A 51 -6.689 -1.876 -10.808 1.00 0.00 C ATOM 0 H TRP A 51 -3.521 -6.687 -7.248 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.011 -7.293 -9.544 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.362 -5.843 -9.164 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.267 -5.846 -10.665 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -3.796 -4.751 -6.955 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -5.371 -2.699 -6.909 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.860 -4.511 -11.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -6.847 -1.210 -8.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -6.366 -2.736 -12.751 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.347 -1.108 -11.186 1.00 0.00 H new ATOM 802 N ASN A 52 -3.722 -8.805 -11.070 1.00 0.00 N ATOM 803 CA ASN A 52 -3.090 -9.870 -11.841 1.00 0.00 C ATOM 804 C ASN A 52 -1.583 -9.651 -11.937 1.00 0.00 C ATOM 805 O ASN A 52 -1.088 -8.552 -11.686 1.00 0.00 O ATOM 806 CB ASN A 52 -3.696 -9.940 -13.244 1.00 0.00 C ATOM 807 CG ASN A 52 -3.494 -11.296 -13.893 1.00 0.00 C ATOM 808 OD1 ASN A 52 -2.439 -11.573 -14.464 1.00 0.00 O ATOM 809 ND2 ASN A 52 -4.509 -12.149 -13.809 1.00 0.00 N ATOM 0 H ASN A 52 -4.570 -8.426 -11.491 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.270 -10.814 -11.326 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.763 -9.722 -13.188 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.246 -9.170 -13.870 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.432 -13.076 -14.228 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.365 -11.877 -13.326 1.00 0.00 H new ATOM 816 N ASN A 53 -0.859 -10.704 -12.301 1.00 0.00 N ATOM 817 CA ASN A 53 0.592 -10.627 -12.430 1.00 0.00 C ATOM 818 C ASN A 53 0.987 -10.042 -13.782 1.00 0.00 C ATOM 819 O ASN A 53 1.936 -10.504 -14.417 1.00 0.00 O ATOM 820 CB ASN A 53 1.214 -12.015 -12.261 1.00 0.00 C ATOM 821 CG ASN A 53 1.289 -12.441 -10.807 1.00 0.00 C ATOM 822 OD1 ASN A 53 0.774 -13.494 -10.430 1.00 0.00 O ATOM 823 ND2 ASN A 53 1.934 -11.623 -9.984 1.00 0.00 N ATOM 0 H ASN A 53 -1.253 -11.621 -12.512 1.00 0.00 H new ATOM 0 HA ASN A 53 0.968 -9.970 -11.646 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.628 -12.744 -12.821 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.216 -12.016 -12.689 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.018 -11.857 -8.995 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.345 -10.761 -10.341 1.00 0.00 H new ATOM 830 N CYS A 54 0.255 -9.022 -14.216 1.00 0.00 N ATOM 831 CA CYS A 54 0.529 -8.373 -15.493 1.00 0.00 C ATOM 832 C CYS A 54 0.634 -6.861 -15.323 1.00 0.00 C ATOM 833 O CYS A 54 1.482 -6.214 -15.938 1.00 0.00 O ATOM 834 CB CYS A 54 -0.567 -8.709 -16.506 1.00 0.00 C ATOM 835 SG CYS A 54 -0.340 -10.299 -17.338 1.00 0.00 S ATOM 0 H CYS A 54 -0.533 -8.627 -13.702 1.00 0.00 H new ATOM 0 HA CYS A 54 1.483 -8.746 -15.864 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.530 -8.712 -15.996 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.607 -7.920 -17.257 1.00 0.00 H new ATOM 0 HG CYS A 54 -1.317 -10.495 -18.173 1.00 0.00 H new ATOM 841 N TYR A 55 -0.234 -6.304 -14.485 1.00 0.00 N ATOM 842 CA TYR A 55 -0.242 -4.867 -14.237 1.00 0.00 C ATOM 843 C TYR A 55 1.118 -4.394 -13.732 1.00 0.00 C ATOM 844 O TYR A 55 1.581 -3.309 -14.085 1.00 0.00 O ATOM 845 CB TYR A 55 -1.328 -4.510 -13.221 1.00 0.00 C ATOM 846 CG TYR A 55 -2.712 -4.418 -13.822 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.421 -5.563 -14.163 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.312 -3.185 -14.048 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.686 -5.483 -14.713 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.577 -3.095 -14.597 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.259 -4.247 -14.928 1.00 0.00 C ATOM 852 OH TYR A 55 -6.520 -4.164 -15.474 1.00 0.00 O ATOM 0 H TYR A 55 -0.941 -6.826 -13.966 1.00 0.00 H new ATOM 0 HA TYR A 55 -0.455 -4.362 -15.179 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.334 -5.259 -12.429 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.079 -3.556 -12.755 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.976 -6.533 -13.995 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.780 -2.281 -13.790 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.223 -6.383 -14.973 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.029 -2.129 -14.766 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.778 -3.222 -15.559 1.00 0.00 H new ATOM 862 N ASP A 56 1.752 -5.216 -12.903 1.00 0.00 N ATOM 863 CA ASP A 56 3.060 -4.884 -12.350 1.00 0.00 C ATOM 864 C ASP A 56 3.944 -4.223 -13.403 1.00 0.00 C ATOM 865 O ASP A 56 3.935 -4.615 -14.570 1.00 0.00 O ATOM 866 CB ASP A 56 3.743 -6.141 -11.809 1.00 0.00 C ATOM 867 CG ASP A 56 3.335 -7.391 -12.564 1.00 0.00 C ATOM 868 OD1 ASP A 56 3.528 -7.430 -13.797 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.824 -8.332 -11.921 1.00 0.00 O ATOM 0 H ASP A 56 1.382 -6.117 -12.599 1.00 0.00 H new ATOM 0 HA ASP A 56 2.912 -4.179 -11.532 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.824 -6.019 -11.871 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.496 -6.260 -10.754 1.00 0.00 H new ATOM 874 N TYR A 57 4.705 -3.219 -12.983 1.00 0.00 N ATOM 875 CA TYR A 57 5.593 -2.501 -13.890 1.00 0.00 C ATOM 876 C TYR A 57 6.879 -2.089 -13.182 1.00 0.00 C ATOM 877 O TYR A 57 6.893 -1.877 -11.969 1.00 0.00 O ATOM 878 CB TYR A 57 4.889 -1.265 -14.453 1.00 0.00 C ATOM 879 CG TYR A 57 4.153 -0.458 -13.408 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.840 0.182 -12.384 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.769 -0.335 -13.445 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.171 0.919 -11.427 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.092 0.401 -12.492 1.00 0.00 C ATOM 884 CZ TYR A 57 2.797 1.026 -11.485 1.00 0.00 C ATOM 885 OH TYR A 57 2.127 1.761 -10.534 1.00 0.00 O ATOM 0 H TYR A 57 4.725 -2.884 -12.020 1.00 0.00 H new ATOM 0 HA TYR A 57 5.851 -3.170 -14.711 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.627 -0.627 -14.939 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.183 -1.578 -15.222 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.916 0.102 -12.336 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.214 -0.823 -14.232 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.721 1.409 -10.637 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.016 0.486 -12.535 1.00 0.00 H new ATOM 0 HH TYR A 57 1.551 1.168 -10.008 1.00 0.00 H new ATOM 895 N TRP A 58 7.958 -1.976 -13.947 1.00 0.00 N ATOM 896 CA TRP A 58 9.251 -1.588 -13.394 1.00 0.00 C ATOM 897 C TRP A 58 9.303 -0.087 -13.132 1.00 0.00 C ATOM 898 O TRP A 58 9.417 0.711 -14.062 1.00 0.00 O ATOM 899 CB TRP A 58 10.378 -1.992 -14.346 1.00 0.00 C ATOM 900 CG TRP A 58 10.856 -3.397 -14.140 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.662 -4.460 -14.976 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.605 -3.893 -13.025 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.245 -5.586 -14.448 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.831 -5.264 -13.252 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.108 -3.311 -11.859 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.537 -6.061 -12.355 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.809 -4.103 -10.969 1.00 0.00 C ATOM 908 CH2 TRP A 58 13.019 -5.465 -11.221 1.00 0.00 C ATOM 0 H TRP A 58 7.964 -2.147 -14.952 1.00 0.00 H new ATOM 0 HA TRP A 58 9.383 -2.108 -12.445 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.033 -1.881 -15.374 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.217 -1.308 -14.215 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.129 -4.421 -15.914 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.242 -6.512 -14.877 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.952 -2.262 -11.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.699 -7.111 -12.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.202 -3.664 -10.064 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.572 -6.056 -10.506 1.00 0.00 H new ATOM 919 N ILE A 59 9.219 0.290 -11.861 1.00 0.00 N ATOM 920 CA ILE A 59 9.258 1.696 -11.477 1.00 0.00 C ATOM 921 C ILE A 59 10.562 2.035 -10.764 1.00 0.00 C ATOM 922 O ILE A 59 11.099 1.223 -10.011 1.00 0.00 O ATOM 923 CB ILE A 59 8.075 2.063 -10.562 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.883 3.580 -10.523 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.300 1.516 -9.160 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.520 4.005 -10.022 1.00 0.00 C ATOM 0 H ILE A 59 9.123 -0.358 -11.079 1.00 0.00 H new ATOM 0 HA ILE A 59 9.188 2.276 -12.397 1.00 0.00 H new ATOM 0 HB ILE A 59 7.169 1.611 -10.966 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.649 4.019 -9.883 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.035 3.983 -11.524 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.455 1.784 -8.525 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.392 0.431 -9.203 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.214 1.941 -8.746 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.456 5.093 -10.021 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.749 3.596 -10.675 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.372 3.632 -9.008 1.00 0.00 H new ATOM 938 N ASP A 60 11.066 3.240 -11.006 1.00 0.00 N ATOM 939 CA ASP A 60 12.306 3.690 -10.385 1.00 0.00 C ATOM 940 C ASP A 60 12.115 3.912 -8.888 1.00 0.00 C ATOM 941 O ASP A 60 11.205 4.626 -8.468 1.00 0.00 O ATOM 942 CB ASP A 60 12.795 4.979 -11.046 1.00 0.00 C ATOM 943 CG ASP A 60 13.212 4.768 -12.489 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.322 4.557 -13.338 1.00 0.00 O ATOM 945 OD2 ASP A 60 14.429 4.813 -12.767 1.00 0.00 O ATOM 0 H ASP A 60 10.634 3.923 -11.628 1.00 0.00 H new ATOM 0 HA ASP A 60 13.056 2.912 -10.526 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.004 5.728 -11.005 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.639 5.376 -10.481 1.00 0.00 H new ATOM 950 N ALA A 61 12.978 3.295 -8.088 1.00 0.00 N ATOM 951 CA ALA A 61 12.904 3.426 -6.638 1.00 0.00 C ATOM 952 C ALA A 61 13.131 4.871 -6.206 1.00 0.00 C ATOM 953 O ALA A 61 12.878 5.232 -5.056 1.00 0.00 O ATOM 954 CB ALA A 61 13.919 2.508 -5.973 1.00 0.00 C ATOM 0 H ALA A 61 13.737 2.699 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 61 11.903 3.132 -6.321 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.853 2.616 -4.890 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.710 1.474 -6.248 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.923 2.775 -6.304 1.00 0.00 H new ATOM 960 N ASP A 62 13.611 5.693 -7.133 1.00 0.00 N ATOM 961 CA ASP A 62 13.872 7.099 -6.847 1.00 0.00 C ATOM 962 C ASP A 62 12.823 7.990 -7.504 1.00 0.00 C ATOM 963 O ASP A 62 12.957 9.214 -7.522 1.00 0.00 O ATOM 964 CB ASP A 62 15.268 7.489 -7.334 1.00 0.00 C ATOM 965 CG ASP A 62 16.363 6.693 -6.652 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.685 7.004 -5.487 1.00 0.00 O ATOM 967 OD2 ASP A 62 16.899 5.758 -7.284 1.00 0.00 O ATOM 0 H ASP A 62 13.827 5.410 -8.089 1.00 0.00 H new ATOM 0 HA ASP A 62 13.819 7.242 -5.768 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.329 7.336 -8.412 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.429 8.552 -7.153 1.00 0.00 H new ATOM 972 N SER A 63 11.779 7.369 -8.043 1.00 0.00 N ATOM 973 CA SER A 63 10.709 8.106 -8.706 1.00 0.00 C ATOM 974 C SER A 63 9.893 8.905 -7.694 1.00 0.00 C ATOM 975 O SER A 63 9.618 8.452 -6.583 1.00 0.00 O ATOM 976 CB SER A 63 9.796 7.145 -9.469 1.00 0.00 C ATOM 977 OG SER A 63 8.986 7.842 -10.400 1.00 0.00 O ATOM 0 H SER A 63 11.651 6.357 -8.034 1.00 0.00 H new ATOM 0 HA SER A 63 11.163 8.802 -9.412 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.399 6.403 -9.991 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.163 6.604 -8.766 1.00 0.00 H new ATOM 0 HG SER A 63 8.160 8.135 -9.961 1.00 0.00 H new ATOM 983 N PRO A 64 9.496 10.125 -8.087 1.00 0.00 N ATOM 984 CA PRO A 64 8.706 11.014 -7.230 1.00 0.00 C ATOM 985 C PRO A 64 7.282 10.508 -7.028 1.00 0.00 C ATOM 986 O PRO A 64 6.566 10.979 -6.144 1.00 0.00 O ATOM 987 CB PRO A 64 8.699 12.336 -8.002 1.00 0.00 C ATOM 988 CG PRO A 64 8.904 11.945 -9.425 1.00 0.00 C ATOM 989 CD PRO A 64 9.788 10.729 -9.397 1.00 0.00 C ATOM 0 HA PRO A 64 9.125 11.092 -6.227 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.756 12.867 -7.869 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.491 13.001 -7.656 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.953 11.725 -9.910 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.370 12.753 -9.989 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.558 10.046 -10.215 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.841 10.995 -9.491 1.00 0.00 H new ATOM 997 N ASP A 65 6.877 9.548 -7.852 1.00 0.00 N ATOM 998 CA ASP A 65 5.538 8.977 -7.762 1.00 0.00 C ATOM 999 C ASP A 65 5.461 7.946 -6.641 1.00 0.00 C ATOM 1000 O ASP A 65 4.422 7.788 -6.000 1.00 0.00 O ATOM 1001 CB ASP A 65 5.144 8.334 -9.093 1.00 0.00 C ATOM 1002 CG ASP A 65 5.710 9.078 -10.286 1.00 0.00 C ATOM 1003 OD1 ASP A 65 6.934 9.328 -10.303 1.00 0.00 O ATOM 1004 OD2 ASP A 65 4.930 9.412 -11.202 1.00 0.00 O ATOM 0 H ASP A 65 7.457 9.149 -8.590 1.00 0.00 H new ATOM 0 HA ASP A 65 4.840 9.783 -7.537 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.495 7.302 -9.112 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.057 8.303 -9.170 1.00 0.00 H new ATOM 1009 N ILE A 66 6.567 7.245 -6.412 1.00 0.00 N ATOM 1010 CA ILE A 66 6.624 6.229 -5.369 1.00 0.00 C ATOM 1011 C ILE A 66 6.504 6.855 -3.984 1.00 0.00 C ATOM 1012 O ILE A 66 7.256 7.766 -3.635 1.00 0.00 O ATOM 1013 CB ILE A 66 7.932 5.420 -5.442 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.884 4.436 -6.613 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.173 4.682 -4.134 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.098 3.537 -6.698 1.00 0.00 C ATOM 0 H ILE A 66 7.435 7.362 -6.935 1.00 0.00 H new ATOM 0 HA ILE A 66 5.781 5.558 -5.536 1.00 0.00 H new ATOM 0 HB ILE A 66 8.760 6.110 -5.605 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.990 3.818 -6.522 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.791 4.996 -7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.101 4.115 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.246 5.401 -3.318 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.344 4.000 -3.943 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.995 2.866 -7.551 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.994 4.146 -6.821 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.181 2.950 -5.783 1.00 0.00 H new ATOM 1028 N HIS A 67 5.554 6.360 -3.196 1.00 0.00 N ATOM 1029 CA HIS A 67 5.337 6.869 -1.847 1.00 0.00 C ATOM 1030 C HIS A 67 5.298 5.728 -0.835 1.00 0.00 C ATOM 1031 O HIS A 67 4.766 4.649 -1.099 1.00 0.00 O ATOM 1032 CB HIS A 67 4.034 7.666 -1.784 1.00 0.00 C ATOM 1033 CG HIS A 67 3.999 8.833 -2.723 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.834 9.923 -2.600 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.225 9.074 -3.807 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.573 10.786 -3.566 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.601 10.294 -4.313 1.00 0.00 N ATOM 0 H HIS A 67 4.923 5.607 -3.469 1.00 0.00 H new ATOM 0 HA HIS A 67 6.169 7.526 -1.595 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.200 7.002 -2.012 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.886 8.025 -0.766 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.455 8.427 -4.201 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.070 11.733 -3.719 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.196 10.747 -5.132 1.00 0.00 H new ATOM 1046 N PRO A 68 5.876 5.968 0.351 1.00 0.00 N ATOM 1047 CA PRO A 68 5.921 4.973 1.426 1.00 0.00 C ATOM 1048 C PRO A 68 4.547 4.716 2.037 1.00 0.00 C ATOM 1049 O PRO A 68 3.657 5.564 1.966 1.00 0.00 O ATOM 1050 CB PRO A 68 6.855 5.608 2.459 1.00 0.00 C ATOM 1051 CG PRO A 68 6.751 7.073 2.214 1.00 0.00 C ATOM 1052 CD PRO A 68 6.529 7.231 0.735 1.00 0.00 C ATOM 0 HA PRO A 68 6.258 4.001 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.553 5.354 3.475 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.880 5.258 2.334 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.927 7.506 2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.659 7.587 2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.899 8.093 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.468 7.376 0.201 1.00 0.00 H new ATOM 1060 N VAL A 69 4.381 3.542 2.637 1.00 0.00 N ATOM 1061 CA VAL A 69 3.116 3.175 3.262 1.00 0.00 C ATOM 1062 C VAL A 69 2.716 4.187 4.329 1.00 0.00 C ATOM 1063 O VAL A 69 3.269 4.198 5.428 1.00 0.00 O ATOM 1064 CB VAL A 69 3.190 1.775 3.899 1.00 0.00 C ATOM 1065 CG1 VAL A 69 2.059 1.583 4.899 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.152 0.698 2.825 1.00 0.00 C ATOM 0 H VAL A 69 5.107 2.828 2.704 1.00 0.00 H new ATOM 0 HA VAL A 69 2.364 3.167 2.473 1.00 0.00 H new ATOM 0 HB VAL A 69 4.135 1.688 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.127 0.588 5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.137 2.334 5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.101 1.689 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.205 -0.285 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.224 0.781 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.000 0.825 2.152 1.00 0.00 H new ATOM 1076 N GLY A 70 1.749 5.038 3.998 1.00 0.00 N ATOM 1077 CA GLY A 70 1.291 6.043 4.939 1.00 0.00 C ATOM 1078 C GLY A 70 1.416 7.451 4.392 1.00 0.00 C ATOM 1079 O GLY A 70 1.232 8.426 5.120 1.00 0.00 O ATOM 0 H GLY A 70 1.275 5.049 3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.250 5.848 5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.867 5.962 5.861 1.00 0.00 H new ATOM 1083 N TRP A 71 1.733 7.558 3.106 1.00 0.00 N ATOM 1084 CA TRP A 71 1.885 8.857 2.462 1.00 0.00 C ATOM 1085 C TRP A 71 0.535 9.548 2.305 1.00 0.00 C ATOM 1086 O TRP A 71 0.470 10.747 2.029 1.00 0.00 O ATOM 1087 CB TRP A 71 2.552 8.697 1.095 1.00 0.00 C ATOM 1088 CG TRP A 71 2.295 9.848 0.170 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.192 10.803 -0.218 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.060 10.167 -0.480 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.588 11.695 -1.071 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.281 11.327 -1.248 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.210 9.584 -0.490 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.277 11.913 -2.015 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.205 10.167 -1.251 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.957 11.321 -2.006 1.00 0.00 C ATOM 0 H TRP A 71 1.890 6.761 2.489 1.00 0.00 H new ATOM 0 HA TRP A 71 2.518 9.477 3.097 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.627 8.585 1.234 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.194 7.779 0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.223 10.850 0.099 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.040 12.501 -1.503 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.410 8.693 0.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.466 12.803 -2.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.191 9.726 -1.264 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.755 11.752 -2.592 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.539 8.787 2.483 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.888 9.327 2.360 1.00 0.00 C ATOM 1109 C CYS A 72 -2.150 10.383 3.429 1.00 0.00 C ATOM 1110 O CYS A 72 -3.056 11.205 3.295 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.921 8.205 2.471 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.979 7.412 4.095 1.00 0.00 S ATOM 0 H CYS A 72 -0.502 7.794 2.713 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.977 9.797 1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.907 8.609 2.241 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.703 7.449 1.717 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.884 6.479 4.090 1.00 0.00 H new ATOM 1118 N SER A 73 -1.352 10.353 4.491 1.00 0.00 N ATOM 1119 CA SER A 73 -1.500 11.305 5.586 1.00 0.00 C ATOM 1120 C SER A 73 -0.629 12.536 5.358 1.00 0.00 C ATOM 1121 O SER A 73 -1.106 13.669 5.421 1.00 0.00 O ATOM 1122 CB SER A 73 -1.133 10.645 6.917 1.00 0.00 C ATOM 1123 OG SER A 73 -2.207 9.865 7.414 1.00 0.00 O ATOM 0 H SER A 73 -0.596 9.680 4.617 1.00 0.00 H new ATOM 0 HA SER A 73 -2.543 11.621 5.621 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.254 10.015 6.784 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.869 11.411 7.646 1.00 0.00 H new ATOM 0 HG SER A 73 -1.946 9.453 8.264 1.00 0.00 H new ATOM 1129 N LYS A 74 0.652 12.306 5.094 1.00 0.00 N ATOM 1130 CA LYS A 74 1.593 13.394 4.855 1.00 0.00 C ATOM 1131 C LYS A 74 0.926 14.530 4.086 1.00 0.00 C ATOM 1132 O LYS A 74 0.801 15.647 4.592 1.00 0.00 O ATOM 1133 CB LYS A 74 2.808 12.884 4.078 1.00 0.00 C ATOM 1134 CG LYS A 74 3.925 12.366 4.967 1.00 0.00 C ATOM 1135 CD LYS A 74 4.967 11.603 4.167 1.00 0.00 C ATOM 1136 CE LYS A 74 5.958 12.545 3.501 1.00 0.00 C ATOM 1137 NZ LYS A 74 7.010 13.005 4.449 1.00 0.00 N ATOM 0 H LYS A 74 1.063 11.374 5.040 1.00 0.00 H new ATOM 0 HA LYS A 74 1.922 13.776 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.490 12.087 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.195 13.690 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.400 13.202 5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.507 11.716 5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.501 10.917 4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.472 10.997 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.426 12.041 2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.426 13.409 3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.665 13.645 3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.566 13.509 5.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.535 12.183 4.811 1.00 0.00 H new ATOM 1151 N THR A 75 0.497 14.240 2.862 1.00 0.00 N ATOM 1152 CA THR A 75 -0.158 15.236 2.024 1.00 0.00 C ATOM 1153 C THR A 75 -1.622 15.408 2.416 1.00 0.00 C ATOM 1154 O THR A 75 -2.103 16.528 2.579 1.00 0.00 O ATOM 1155 CB THR A 75 -0.078 14.858 0.534 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.795 13.641 0.298 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.369 14.693 0.094 1.00 0.00 C ATOM 0 H THR A 75 0.592 13.322 2.428 1.00 0.00 H new ATOM 0 HA THR A 75 0.370 16.177 2.181 1.00 0.00 H new ATOM 0 HB THR A 75 -0.528 15.663 -0.047 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.396 13.168 -0.462 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.400 14.426 -0.962 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.905 15.630 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.840 13.905 0.681 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.325 14.289 2.565 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.727 14.338 2.936 1.00 0.00 C ATOM 1167 C GLY A 76 -4.635 13.808 1.845 1.00 0.00 C ATOM 1168 O GLY A 76 -5.798 14.201 1.749 1.00 0.00 O ATOM 0 H GLY A 76 -1.948 13.350 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.879 13.757 3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.003 15.367 3.166 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.103 12.913 1.018 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.874 12.328 -0.074 1.00 0.00 C ATOM 1174 C HIS A 77 -5.441 10.970 0.328 1.00 0.00 C ATOM 1175 O HIS A 77 -4.818 10.202 1.061 1.00 0.00 O ATOM 1176 CB HIS A 77 -4.001 12.181 -1.320 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.982 13.402 -2.186 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -5.118 14.113 -2.511 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -2.954 14.040 -2.795 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -4.791 15.134 -3.283 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.483 15.113 -3.470 1.00 0.00 N ATOM 0 H HIS A 77 -3.142 12.577 1.083 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.705 12.996 -0.299 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.981 11.947 -1.014 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.359 11.335 -1.907 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.912 13.758 -2.757 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -5.476 15.862 -3.692 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.953 15.784 -4.025 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.653 10.666 -0.162 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.331 9.401 0.134 1.00 0.00 C ATOM 1192 C PRO A 78 -6.653 8.210 -0.536 1.00 0.00 C ATOM 1193 O PRO A 78 -6.148 8.318 -1.654 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.735 9.609 -0.439 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.560 10.630 -1.509 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.453 11.534 -1.041 1.00 0.00 C ATOM 0 HA PRO A 78 -7.320 9.172 1.200 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.140 8.680 -0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.428 9.954 0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.305 10.160 -2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.481 11.191 -1.668 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.864 11.913 -1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.841 12.400 -0.505 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.646 7.075 0.154 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.030 5.862 -0.375 1.00 0.00 C ATOM 1206 C LEU A 79 -7.090 4.826 -0.735 1.00 0.00 C ATOM 1207 O LEU A 79 -8.091 4.679 -0.034 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.054 5.276 0.646 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.131 4.169 0.134 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -2.977 4.762 -0.660 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.610 3.331 1.292 1.00 0.00 C ATOM 0 H LEU A 79 -7.059 6.969 1.080 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.484 6.126 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.436 6.086 1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.629 4.883 1.485 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.705 3.520 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.331 3.960 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.369 5.318 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.403 5.434 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.955 2.548 0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.052 3.967 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.449 2.876 1.819 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.861 4.110 -1.831 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.796 3.086 -2.283 1.00 0.00 C ATOM 1225 C GLN A 80 -7.246 1.689 -2.013 1.00 0.00 C ATOM 1226 O GLN A 80 -6.085 1.389 -2.291 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.086 3.254 -3.775 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.693 4.602 -4.130 1.00 0.00 C ATOM 1229 CD GLN A 80 -10.049 4.819 -3.488 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.773 3.865 -3.203 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.400 6.078 -3.256 1.00 0.00 N ATOM 0 H GLN A 80 -6.037 4.220 -2.422 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.724 3.205 -1.724 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.159 3.124 -4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.765 2.464 -4.096 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.015 5.396 -3.815 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.792 4.678 -5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.769 6.838 -3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.301 6.285 -2.825 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.098 0.814 -1.459 1.00 0.00 N ATOM 1241 CA PRO A 81 -7.720 -0.566 -1.140 1.00 0.00 C ATOM 1242 C PRO A 81 -7.509 -1.413 -2.391 1.00 0.00 C ATOM 1243 O PRO A 81 -8.043 -1.126 -3.462 1.00 0.00 O ATOM 1244 CB PRO A 81 -8.915 -1.085 -0.338 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.065 -0.253 -0.790 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.497 1.104 -1.102 1.00 0.00 C ATOM 0 HA PRO A 81 -6.774 -0.615 -0.601 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.092 -2.143 -0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.748 -0.980 0.734 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.540 -0.689 -1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.828 -0.188 -0.014 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.030 1.584 -1.923 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.562 1.774 -0.245 1.00 0.00 H new ATOM 1254 N PRO A 82 -6.711 -2.483 -2.254 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.413 -3.394 -3.362 1.00 0.00 C ATOM 1256 C PRO A 82 -7.623 -4.226 -3.771 1.00 0.00 C ATOM 1257 O PRO A 82 -8.727 -4.028 -3.261 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.312 -4.294 -2.795 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.518 -4.260 -1.320 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.040 -2.885 -1.006 1.00 0.00 C ATOM 0 HA PRO A 82 -6.121 -2.856 -4.264 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.392 -5.310 -3.183 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.322 -3.927 -3.065 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.226 -5.027 -1.007 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.585 -4.453 -0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.732 -2.900 -0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.234 -2.199 -0.744 1.00 0.00 H new ATOM 1268 N LEU A 83 -7.411 -5.158 -4.694 1.00 0.00 N ATOM 1269 CA LEU A 83 -8.485 -6.021 -5.171 1.00 0.00 C ATOM 1270 C LEU A 83 -9.205 -6.690 -4.004 1.00 0.00 C ATOM 1271 O LEU A 83 -8.742 -6.639 -2.865 1.00 0.00 O ATOM 1272 CB LEU A 83 -7.928 -7.086 -6.118 1.00 0.00 C ATOM 1273 CG LEU A 83 -7.870 -6.703 -7.598 1.00 0.00 C ATOM 1274 CD1 LEU A 83 -7.614 -7.931 -8.457 1.00 0.00 C ATOM 1275 CD2 LEU A 83 -9.157 -6.012 -8.021 1.00 0.00 C ATOM 0 H LEU A 83 -6.505 -5.335 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.202 -5.402 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.921 -7.344 -5.790 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.536 -7.985 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.044 -6.006 -7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.576 -7.639 -9.507 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.664 -8.383 -8.171 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.418 -8.652 -8.310 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.098 -5.747 -9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.000 -6.685 -7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.297 -5.109 -7.427 1.00 0.00 H new ATOM 1287 N SER A 84 -10.340 -7.318 -4.297 1.00 0.00 N ATOM 1288 CA SER A 84 -11.125 -7.995 -3.272 1.00 0.00 C ATOM 1289 C SER A 84 -10.350 -9.170 -2.682 1.00 0.00 C ATOM 1290 O SER A 84 -9.418 -9.698 -3.288 1.00 0.00 O ATOM 1291 CB SER A 84 -12.451 -8.486 -3.857 1.00 0.00 C ATOM 1292 OG SER A 84 -13.440 -7.473 -3.799 1.00 0.00 O ATOM 0 H SER A 84 -10.736 -7.372 -5.236 1.00 0.00 H new ATOM 0 HA SER A 84 -11.330 -7.280 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.303 -8.796 -4.892 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.792 -9.363 -3.307 1.00 0.00 H new ATOM 0 HG SER A 84 -14.277 -7.811 -4.180 1.00 0.00 H new ATOM 1298 N PRO A 85 -10.745 -9.589 -1.471 1.00 0.00 N ATOM 1299 CA PRO A 85 -10.102 -10.706 -0.771 1.00 0.00 C ATOM 1300 C PRO A 85 -10.387 -12.048 -1.437 1.00 0.00 C ATOM 1301 O PRO A 85 -9.891 -13.087 -1.000 1.00 0.00 O ATOM 1302 CB PRO A 85 -10.728 -10.657 0.625 1.00 0.00 C ATOM 1303 CG PRO A 85 -12.047 -9.994 0.425 1.00 0.00 C ATOM 1304 CD PRO A 85 -11.849 -9.006 -0.691 1.00 0.00 C ATOM 0 HA PRO A 85 -9.016 -10.615 -0.769 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.847 -11.657 1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -10.104 -10.095 1.319 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -12.815 -10.723 0.169 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -12.374 -9.493 1.336 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.751 -8.894 -1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -11.594 -8.017 -0.311 1.00 0.00 H new ATOM 1312 N LEU A 86 -11.189 -12.019 -2.496 1.00 0.00 N ATOM 1313 CA LEU A 86 -11.540 -13.234 -3.223 1.00 0.00 C ATOM 1314 C LEU A 86 -10.913 -13.237 -4.613 1.00 0.00 C ATOM 1315 O LEU A 86 -10.787 -14.286 -5.245 1.00 0.00 O ATOM 1316 CB LEU A 86 -13.060 -13.364 -3.335 1.00 0.00 C ATOM 1317 CG LEU A 86 -13.756 -12.337 -4.230 1.00 0.00 C ATOM 1318 CD1 LEU A 86 -13.829 -12.840 -5.663 1.00 0.00 C ATOM 1319 CD2 LEU A 86 -15.149 -12.026 -3.701 1.00 0.00 C ATOM 0 H LEU A 86 -11.608 -11.168 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.149 -14.086 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.293 -14.361 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.486 -13.292 -2.334 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.170 -11.418 -4.219 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.327 -12.096 -6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -12.821 -13.012 -6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.391 -13.773 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.629 -11.294 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -15.743 -12.939 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -15.073 -11.622 -2.692 1.00 0.00 H new ATOM 1331 N GLU A 87 -10.521 -12.057 -5.082 1.00 0.00 N ATOM 1332 CA GLU A 87 -9.905 -11.925 -6.398 1.00 0.00 C ATOM 1333 C GLU A 87 -8.453 -12.392 -6.368 1.00 0.00 C ATOM 1334 O GLU A 87 -7.985 -13.059 -7.292 1.00 0.00 O ATOM 1335 CB GLU A 87 -9.976 -10.473 -6.875 1.00 0.00 C ATOM 1336 CG GLU A 87 -11.392 -9.987 -7.138 1.00 0.00 C ATOM 1337 CD GLU A 87 -11.837 -10.232 -8.566 1.00 0.00 C ATOM 1338 OE1 GLU A 87 -11.156 -9.742 -9.492 1.00 0.00 O ATOM 1339 OE2 GLU A 87 -12.866 -10.913 -8.759 1.00 0.00 O ATOM 0 H GLU A 87 -10.619 -11.179 -4.571 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.457 -12.556 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.514 -9.830 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.390 -10.370 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.077 -10.491 -6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.452 -8.921 -6.920 1.00 0.00 H new ATOM 1346 N LEU A 88 -7.745 -12.036 -5.302 1.00 0.00 N ATOM 1347 CA LEU A 88 -6.345 -12.418 -5.151 1.00 0.00 C ATOM 1348 C LEU A 88 -6.204 -13.930 -5.015 1.00 0.00 C ATOM 1349 O LEU A 88 -5.179 -14.504 -5.382 1.00 0.00 O ATOM 1350 CB LEU A 88 -5.736 -11.726 -3.931 1.00 0.00 C ATOM 1351 CG LEU A 88 -5.948 -12.425 -2.588 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -4.882 -11.998 -1.590 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -7.338 -12.128 -2.045 1.00 0.00 C ATOM 0 H LEU A 88 -8.117 -11.484 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.810 -12.101 -6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.664 -11.618 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.151 -10.720 -3.864 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.862 -13.501 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.049 -12.506 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.897 -12.262 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.935 -10.920 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.471 -12.634 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.452 -11.053 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.088 -12.484 -2.751 1.00 0.00 H new ATOM 1365 N MET A 89 -7.242 -14.571 -4.488 1.00 0.00 N ATOM 1366 CA MET A 89 -7.235 -16.018 -4.306 1.00 0.00 C ATOM 1367 C MET A 89 -8.023 -16.708 -5.415 1.00 0.00 C ATOM 1368 O MET A 89 -9.163 -17.125 -5.211 1.00 0.00 O ATOM 1369 CB MET A 89 -7.823 -16.385 -2.943 1.00 0.00 C ATOM 1370 CG MET A 89 -9.056 -15.577 -2.574 1.00 0.00 C ATOM 1371 SD MET A 89 -9.754 -16.060 -0.984 1.00 0.00 S ATOM 1372 CE MET A 89 -10.911 -17.329 -1.494 1.00 0.00 C ATOM 0 H MET A 89 -8.099 -14.111 -4.179 1.00 0.00 H new ATOM 0 HA MET A 89 -6.201 -16.360 -4.351 1.00 0.00 H new ATOM 0 HB2 MET A 89 -8.079 -17.444 -2.941 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.061 -16.240 -2.177 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.797 -14.519 -2.546 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.811 -15.700 -3.350 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.424 -17.727 -0.618 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.643 -16.900 -2.179 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.372 -18.133 -1.995 1.00 0.00 H new ATOM 1382 N GLU A 90 -7.408 -16.825 -6.588 1.00 0.00 N ATOM 1383 CA GLU A 90 -8.054 -17.464 -7.728 1.00 0.00 C ATOM 1384 C GLU A 90 -7.167 -18.561 -8.312 1.00 0.00 C ATOM 1385 O GLU A 90 -5.949 -18.544 -8.142 1.00 0.00 O ATOM 1386 CB GLU A 90 -8.378 -16.428 -8.806 1.00 0.00 C ATOM 1387 CG GLU A 90 -9.430 -16.891 -9.800 1.00 0.00 C ATOM 1388 CD GLU A 90 -9.754 -15.838 -10.841 1.00 0.00 C ATOM 1389 OE1 GLU A 90 -8.822 -15.395 -11.546 1.00 0.00 O ATOM 1390 OE2 GLU A 90 -10.937 -15.455 -10.950 1.00 0.00 O ATOM 0 H GLU A 90 -6.464 -16.486 -6.773 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.982 -17.918 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.722 -15.512 -8.326 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.464 -16.180 -9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.080 -17.794 -10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.340 -17.157 -9.262 1.00 0.00 H new ATOM 1397 N ALA A 91 -7.789 -19.512 -9.000 1.00 0.00 N ATOM 1398 CA ALA A 91 -7.057 -20.615 -9.610 1.00 0.00 C ATOM 1399 C ALA A 91 -5.903 -21.067 -8.722 1.00 0.00 C ATOM 1400 O ALA A 91 -4.797 -21.316 -9.203 1.00 0.00 O ATOM 1401 CB ALA A 91 -6.542 -20.212 -10.984 1.00 0.00 C ATOM 0 H ALA A 91 -8.798 -19.541 -9.149 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.743 -21.454 -9.723 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.997 -21.046 -11.427 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.383 -19.946 -11.624 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.876 -19.355 -10.886 1.00 0.00 H new ATOM 1407 N SER A 92 -6.166 -21.169 -7.423 1.00 0.00 N ATOM 1408 CA SER A 92 -5.148 -21.586 -6.467 1.00 0.00 C ATOM 1409 C SER A 92 -5.141 -23.103 -6.307 1.00 0.00 C ATOM 1410 O SER A 92 -6.192 -23.726 -6.160 1.00 0.00 O ATOM 1411 CB SER A 92 -5.388 -20.919 -5.111 1.00 0.00 C ATOM 1412 OG SER A 92 -4.186 -20.832 -4.365 1.00 0.00 O ATOM 0 H SER A 92 -7.076 -20.968 -7.009 1.00 0.00 H new ATOM 0 HA SER A 92 -4.176 -21.275 -6.850 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.800 -19.921 -5.261 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.128 -21.488 -4.548 1.00 0.00 H new ATOM 0 HG SER A 92 -4.366 -20.401 -3.504 1.00 0.00 H new ATOM 1418 N GLU A 93 -3.949 -23.690 -6.336 1.00 0.00 N ATOM 1419 CA GLU A 93 -3.805 -25.134 -6.195 1.00 0.00 C ATOM 1420 C GLU A 93 -2.896 -25.478 -5.018 1.00 0.00 C ATOM 1421 O GLU A 93 -1.803 -24.927 -4.882 1.00 0.00 O ATOM 1422 CB GLU A 93 -3.244 -25.741 -7.482 1.00 0.00 C ATOM 1423 CG GLU A 93 -4.292 -25.956 -8.561 1.00 0.00 C ATOM 1424 CD GLU A 93 -3.686 -26.092 -9.944 1.00 0.00 C ATOM 1425 OE1 GLU A 93 -3.241 -25.065 -10.499 1.00 0.00 O ATOM 1426 OE2 GLU A 93 -3.657 -27.223 -10.472 1.00 0.00 O ATOM 0 H GLU A 93 -3.069 -23.188 -6.456 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.792 -25.555 -6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.463 -25.088 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.774 -26.696 -7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.867 -26.853 -8.330 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.991 -25.120 -8.555 1.00 0.00 H new ATOM 1433 N HIS A 94 -3.355 -26.393 -4.170 1.00 0.00 N ATOM 1434 CA HIS A 94 -2.584 -26.811 -3.005 1.00 0.00 C ATOM 1435 C HIS A 94 -1.103 -26.937 -3.350 1.00 0.00 C ATOM 1436 O HIS A 94 -0.746 -27.358 -4.450 1.00 0.00 O ATOM 1437 CB HIS A 94 -3.110 -28.144 -2.471 1.00 0.00 C ATOM 1438 CG HIS A 94 -2.532 -29.338 -3.165 1.00 0.00 C ATOM 1439 ND1 HIS A 94 -2.568 -29.504 -4.534 1.00 0.00 N ATOM 1440 CD2 HIS A 94 -1.898 -30.428 -2.672 1.00 0.00 C ATOM 1441 CE1 HIS A 94 -1.984 -30.645 -4.852 1.00 0.00 C ATOM 1442 NE2 HIS A 94 -1.568 -31.224 -3.741 1.00 0.00 N ATOM 0 H HIS A 94 -4.257 -26.859 -4.268 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.696 -26.049 -2.234 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.890 -28.211 -1.406 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.195 -28.164 -2.574 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.691 -30.633 -1.632 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -1.867 -31.038 -5.851 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.080 -32.118 -3.686 1.00 0.00 H new ATOM 1451 N GLY A 95 -0.246 -26.567 -2.403 1.00 0.00 N ATOM 1452 CA GLY A 95 1.186 -26.646 -2.627 1.00 0.00 C ATOM 1453 C GLY A 95 1.856 -27.677 -1.742 1.00 0.00 C ATOM 1454 O GLY A 95 1.224 -28.642 -1.314 1.00 0.00 O ATOM 0 H GLY A 95 -0.518 -26.214 -1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 95 1.374 -26.892 -3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 95 1.633 -25.669 -2.444 1.00 0.00 H new ATOM 1458 N GLY A 96 3.141 -27.475 -1.467 1.00 0.00 N ATOM 1459 CA GLY A 96 3.876 -28.404 -0.630 1.00 0.00 C ATOM 1460 C GLY A 96 3.636 -28.168 0.848 1.00 0.00 C ATOM 1461 O GLY A 96 2.762 -27.386 1.225 1.00 0.00 O ATOM 0 H GLY A 96 3.686 -26.684 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.587 -29.424 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.942 -28.313 -0.841 1.00 0.00 H new ATOM 1465 N CYS A 97 4.411 -28.846 1.688 1.00 0.00 N ATOM 1466 CA CYS A 97 4.276 -28.708 3.133 1.00 0.00 C ATOM 1467 C CYS A 97 5.488 -29.293 3.851 1.00 0.00 C ATOM 1468 O CYS A 97 6.148 -30.198 3.339 1.00 0.00 O ATOM 1469 CB CYS A 97 3.000 -29.399 3.616 1.00 0.00 C ATOM 1470 SG CYS A 97 2.328 -28.718 5.150 1.00 0.00 S ATOM 0 H CYS A 97 5.139 -29.496 1.393 1.00 0.00 H new ATOM 0 HA CYS A 97 4.216 -27.645 3.367 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.242 -29.326 2.836 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.206 -30.459 3.761 1.00 0.00 H new ATOM 0 HG CYS A 97 1.249 -29.366 5.476 1.00 0.00 H new ATOM 1476 N SER A 98 5.778 -28.769 5.037 1.00 0.00 N ATOM 1477 CA SER A 98 6.914 -29.235 5.823 1.00 0.00 C ATOM 1478 C SER A 98 6.445 -30.031 7.037 1.00 0.00 C ATOM 1479 O SER A 98 5.786 -29.496 7.929 1.00 0.00 O ATOM 1480 CB SER A 98 7.770 -28.050 6.275 1.00 0.00 C ATOM 1481 OG SER A 98 8.558 -27.554 5.207 1.00 0.00 O ATOM 0 H SER A 98 5.241 -28.021 5.475 1.00 0.00 H new ATOM 0 HA SER A 98 7.516 -29.889 5.192 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.127 -27.257 6.655 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.417 -28.357 7.097 1.00 0.00 H new ATOM 0 HG SER A 98 9.095 -26.796 5.521 1.00 0.00 H new ATOM 1487 N THR A 99 6.790 -31.315 7.065 1.00 0.00 N ATOM 1488 CA THR A 99 6.404 -32.186 8.168 1.00 0.00 C ATOM 1489 C THR A 99 7.392 -33.335 8.332 1.00 0.00 C ATOM 1490 O THR A 99 7.610 -34.133 7.420 1.00 0.00 O ATOM 1491 CB THR A 99 4.991 -32.764 7.960 1.00 0.00 C ATOM 1492 OG1 THR A 99 4.064 -31.707 7.693 1.00 0.00 O ATOM 1493 CG2 THR A 99 4.540 -33.545 9.185 1.00 0.00 C ATOM 0 H THR A 99 7.336 -31.774 6.336 1.00 0.00 H new ATOM 0 HA THR A 99 6.409 -31.575 9.070 1.00 0.00 H new ATOM 0 HB THR A 99 5.022 -33.443 7.108 1.00 0.00 H new ATOM 0 HG1 THR A 99 3.169 -32.083 7.560 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.540 -33.943 9.015 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.232 -34.367 9.367 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.525 -32.885 10.052 1.00 0.00 H new ATOM 1501 N PRO A 100 8.005 -33.425 9.522 1.00 0.00 N ATOM 1502 CA PRO A 100 8.979 -34.475 9.833 1.00 0.00 C ATOM 1503 C PRO A 100 8.331 -35.850 9.954 1.00 0.00 C ATOM 1504 O PRO A 100 7.107 -35.970 9.979 1.00 0.00 O ATOM 1505 CB PRO A 100 9.555 -34.035 11.182 1.00 0.00 C ATOM 1506 CG PRO A 100 8.485 -33.200 11.796 1.00 0.00 C ATOM 1507 CD PRO A 100 7.793 -32.508 10.654 1.00 0.00 C ATOM 0 HA PRO A 100 9.728 -34.582 9.048 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.796 -34.894 11.809 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.476 -33.466 11.053 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.785 -33.816 12.361 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.907 -32.476 12.493 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.733 -32.359 10.857 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.222 -31.525 10.461 1.00 0.00 H new ATOM 1515 N GLY A 101 9.161 -36.886 10.027 1.00 0.00 N ATOM 1516 CA GLY A 101 8.650 -38.239 10.144 1.00 0.00 C ATOM 1517 C GLY A 101 8.928 -39.073 8.909 1.00 0.00 C ATOM 1518 O GLY A 101 9.863 -38.791 8.159 1.00 0.00 O ATOM 0 H GLY A 101 10.178 -36.812 10.007 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.100 -38.720 11.012 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.575 -38.204 10.320 1.00 0.00 H new ATOM 1522 N SER A 102 8.115 -40.103 8.697 1.00 0.00 N ATOM 1523 CA SER A 102 8.281 -40.983 7.547 1.00 0.00 C ATOM 1524 C SER A 102 7.453 -40.493 6.363 1.00 0.00 C ATOM 1525 O SER A 102 7.965 -40.334 5.256 1.00 0.00 O ATOM 1526 CB SER A 102 7.876 -42.413 7.910 1.00 0.00 C ATOM 1527 OG SER A 102 8.964 -43.122 8.479 1.00 0.00 O ATOM 0 H SER A 102 7.335 -40.348 9.307 1.00 0.00 H new ATOM 0 HA SER A 102 9.333 -40.972 7.261 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.044 -42.391 8.614 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.526 -42.933 7.018 1.00 0.00 H new ATOM 0 HG SER A 102 8.679 -44.032 8.704 1.00 0.00 H new ATOM 1533 N GLY A 103 6.167 -40.256 6.606 1.00 0.00 N ATOM 1534 CA GLY A 103 5.287 -39.787 5.552 1.00 0.00 C ATOM 1535 C GLY A 103 4.789 -40.914 4.669 1.00 0.00 C ATOM 1536 O GLY A 103 5.225 -42.060 4.782 1.00 0.00 O ATOM 0 H GLY A 103 5.719 -40.381 7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.434 -39.274 5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.815 -39.056 4.940 1.00 0.00 H new ATOM 1540 N PRO A 104 3.851 -40.592 3.765 1.00 0.00 N ATOM 1541 CA PRO A 104 3.271 -41.572 2.842 1.00 0.00 C ATOM 1542 C PRO A 104 4.269 -42.035 1.786 1.00 0.00 C ATOM 1543 O PRO A 104 5.438 -41.649 1.811 1.00 0.00 O ATOM 1544 CB PRO A 104 2.119 -40.806 2.189 1.00 0.00 C ATOM 1545 CG PRO A 104 2.510 -39.372 2.292 1.00 0.00 C ATOM 1546 CD PRO A 104 3.285 -39.246 3.574 1.00 0.00 C ATOM 0 HA PRO A 104 2.959 -42.481 3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 104 1.983 -41.106 1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 104 1.176 -40.997 2.701 1.00 0.00 H new ATOM 0 HG2 PRO A 104 3.116 -39.070 1.438 1.00 0.00 H new ATOM 0 HG3 PRO A 104 1.631 -38.727 2.302 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.066 -38.489 3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.642 -38.959 4.406 1.00 0.00 H new ATOM 1554 N SER A 105 3.801 -42.865 0.859 1.00 0.00 N ATOM 1555 CA SER A 105 4.654 -43.383 -0.204 1.00 0.00 C ATOM 1556 C SER A 105 3.993 -43.203 -1.567 1.00 0.00 C ATOM 1557 O SER A 105 2.800 -42.914 -1.657 1.00 0.00 O ATOM 1558 CB SER A 105 4.961 -44.863 0.036 1.00 0.00 C ATOM 1559 OG SER A 105 6.151 -45.251 -0.630 1.00 0.00 O ATOM 0 H SER A 105 2.836 -43.193 0.823 1.00 0.00 H new ATOM 0 HA SER A 105 5.587 -42.820 -0.195 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.062 -45.048 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.128 -45.472 -0.316 1.00 0.00 H new ATOM 0 HG SER A 105 6.327 -46.200 -0.460 1.00 0.00 H new ATOM 1565 N SER A 106 4.778 -43.376 -2.626 1.00 0.00 N ATOM 1566 CA SER A 106 4.272 -43.229 -3.985 1.00 0.00 C ATOM 1567 C SER A 106 4.761 -44.369 -4.873 1.00 0.00 C ATOM 1568 O SER A 106 5.686 -45.096 -4.516 1.00 0.00 O ATOM 1569 CB SER A 106 4.709 -41.886 -4.572 1.00 0.00 C ATOM 1570 OG SER A 106 4.180 -41.702 -5.874 1.00 0.00 O ATOM 0 H SER A 106 5.767 -43.618 -2.568 1.00 0.00 H new ATOM 0 HA SER A 106 3.183 -43.263 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.376 -41.076 -3.923 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.797 -41.838 -4.608 1.00 0.00 H new ATOM 0 HG SER A 106 4.472 -40.836 -6.226 1.00 0.00 H new ATOM 1576 N GLY A 107 4.131 -44.518 -6.035 1.00 0.00 N ATOM 1577 CA GLY A 107 4.515 -45.571 -6.957 1.00 0.00 C ATOM 1578 C GLY A 107 4.008 -45.323 -8.364 1.00 0.00 C ATOM 1579 O GLY A 107 4.449 -45.970 -9.313 1.00 0.00 O ATOM 0 H GLY A 107 3.362 -43.928 -6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.602 -45.655 -6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.127 -46.524 -6.597 1.00 0.00 H new TER 1583 GLY A 107