USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=29 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 75 THR OG1 : rot -143:sc= 0.507 USER MOD Set 1.2: A 77 HIS : no HD1:sc= 0 X(o=0.51,f=0.51) USER MOD Set 2.1: A 72 CYS SG : rot 180:sc= 0.00288 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 136:sc= -0.661 (180deg=-2.7!) USER MOD Single : A 12 HIS : no HD1:sc= -3.73 K(o=-3.7,f=-4.8!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) 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 149:sc= -4.19! (180deg=-7.75!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -139:sc= 0.772 (180deg=-0.189) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 29 MET CE :methyl 159:sc= -0.0666 (180deg=-0.459) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 46:sc= 0.132 USER MOD Single : A 42 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-0.72) USER MOD Single : A 45 LYS NZ :NH3+ 141:sc= 1 (180deg=0.189!) USER MOD Single : A 47 HIS : no HE2:sc= -0.218! C(o=-0.22!,f=-3.7!) USER MOD Single : A 52 ASN : amide:sc= 0.191 K(o=0.19,f=-5.1!) USER MOD Single : A 53 ASN : amide:sc= -0.306 X(o=-0.31,f=-0.6) 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 -98:sc= 0.00673 USER MOD Single : A 63 SER OG : rot -110:sc= 0.381 USER MOD Single : A 67 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-3.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.37) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 161:sc= -0.231 (180deg=-1.21) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= -0.639 K(o=-0.64,f=-1.2) 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= -0.904 USER MOD Single : A 102 SER OG : rot 65:sc= 1.2 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -88:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.550 -20.239 -8.356 1.00 0.00 N ATOM 2 CA GLY A 1 22.255 -19.640 -7.237 1.00 0.00 C ATOM 3 C GLY A 1 23.431 -18.793 -7.680 1.00 0.00 C ATOM 4 O GLY A 1 24.550 -19.290 -7.808 1.00 0.00 O ATOM 0 H1 GLY A 1 20.755 -20.808 -8.001 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.188 -19.490 -8.980 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.201 -20.849 -8.890 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.563 -19.024 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.608 -20.427 -6.571 1.00 0.00 H new ATOM 8 N SER A 2 23.178 -17.509 -7.916 1.00 0.00 N ATOM 9 CA SER A 2 24.224 -16.592 -8.353 1.00 0.00 C ATOM 10 C SER A 2 24.878 -15.905 -7.157 1.00 0.00 C ATOM 11 O SER A 2 24.216 -15.206 -6.391 1.00 0.00 O ATOM 12 CB SER A 2 23.646 -15.543 -9.305 1.00 0.00 C ATOM 13 OG SER A 2 23.086 -16.151 -10.455 1.00 0.00 O ATOM 0 H SER A 2 22.258 -17.081 -7.812 1.00 0.00 H new ATOM 0 HA SER A 2 24.984 -17.170 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.882 -14.961 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.430 -14.847 -9.603 1.00 0.00 H new ATOM 0 HG SER A 2 22.722 -15.459 -11.046 1.00 0.00 H new ATOM 19 N SER A 3 26.183 -16.111 -7.006 1.00 0.00 N ATOM 20 CA SER A 3 26.927 -15.516 -5.903 1.00 0.00 C ATOM 21 C SER A 3 26.929 -13.994 -6.007 1.00 0.00 C ATOM 22 O SER A 3 26.392 -13.425 -6.956 1.00 0.00 O ATOM 23 CB SER A 3 28.365 -16.039 -5.889 1.00 0.00 C ATOM 24 OG SER A 3 28.428 -17.341 -5.332 1.00 0.00 O ATOM 0 H SER A 3 26.746 -16.685 -7.634 1.00 0.00 H new ATOM 0 HA SER A 3 26.436 -15.799 -4.972 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.760 -16.055 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.996 -15.362 -5.313 1.00 0.00 H new ATOM 0 HG SER A 3 29.357 -17.654 -5.336 1.00 0.00 H new ATOM 30 N GLY A 4 27.537 -13.340 -5.021 1.00 0.00 N ATOM 31 CA GLY A 4 27.598 -11.890 -5.020 1.00 0.00 C ATOM 32 C GLY A 4 28.970 -11.368 -4.644 1.00 0.00 C ATOM 33 O GLY A 4 29.987 -11.903 -5.085 1.00 0.00 O ATOM 0 H GLY A 4 27.988 -13.789 -4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.329 -11.517 -6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.859 -11.499 -4.320 1.00 0.00 H new ATOM 37 N SER A 5 28.999 -10.319 -3.828 1.00 0.00 N ATOM 38 CA SER A 5 30.257 -9.720 -3.398 1.00 0.00 C ATOM 39 C SER A 5 30.085 -8.989 -2.070 1.00 0.00 C ATOM 40 O SER A 5 28.968 -8.831 -1.576 1.00 0.00 O ATOM 41 CB SER A 5 30.776 -8.751 -4.462 1.00 0.00 C ATOM 42 OG SER A 5 32.187 -8.634 -4.400 1.00 0.00 O ATOM 0 H SER A 5 28.166 -9.867 -3.452 1.00 0.00 H new ATOM 0 HA SER A 5 30.983 -10.521 -3.261 1.00 0.00 H new ATOM 0 HB2 SER A 5 30.480 -9.100 -5.451 1.00 0.00 H new ATOM 0 HB3 SER A 5 30.320 -7.771 -4.320 1.00 0.00 H new ATOM 0 HG SER A 5 32.494 -8.011 -5.091 1.00 0.00 H new ATOM 48 N SER A 6 31.199 -8.546 -1.496 1.00 0.00 N ATOM 49 CA SER A 6 31.173 -7.835 -0.224 1.00 0.00 C ATOM 50 C SER A 6 31.366 -6.336 -0.434 1.00 0.00 C ATOM 51 O SER A 6 31.936 -5.907 -1.437 1.00 0.00 O ATOM 52 CB SER A 6 32.259 -8.374 0.709 1.00 0.00 C ATOM 53 OG SER A 6 31.958 -9.692 1.134 1.00 0.00 O ATOM 0 H SER A 6 32.131 -8.667 -1.892 1.00 0.00 H new ATOM 0 HA SER A 6 30.197 -7.997 0.234 1.00 0.00 H new ATOM 0 HB2 SER A 6 33.221 -8.365 0.196 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.354 -7.721 1.577 1.00 0.00 H new ATOM 0 HG SER A 6 32.668 -10.014 1.728 1.00 0.00 H new ATOM 59 N GLY A 7 30.886 -5.544 0.520 1.00 0.00 N ATOM 60 CA GLY A 7 31.015 -4.102 0.421 1.00 0.00 C ATOM 61 C GLY A 7 30.341 -3.543 -0.816 1.00 0.00 C ATOM 62 O GLY A 7 30.751 -3.832 -1.940 1.00 0.00 O ATOM 0 H GLY A 7 30.410 -5.875 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 7 30.581 -3.640 1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 7 32.072 -3.835 0.407 1.00 0.00 H new ATOM 66 N VAL A 8 29.301 -2.740 -0.610 1.00 0.00 N ATOM 67 CA VAL A 8 28.567 -2.140 -1.718 1.00 0.00 C ATOM 68 C VAL A 8 27.597 -1.075 -1.221 1.00 0.00 C ATOM 69 O VAL A 8 27.041 -1.186 -0.128 1.00 0.00 O ATOM 70 CB VAL A 8 27.784 -3.201 -2.513 1.00 0.00 C ATOM 71 CG1 VAL A 8 26.641 -3.758 -1.679 1.00 0.00 C ATOM 72 CG2 VAL A 8 27.267 -2.614 -3.818 1.00 0.00 C ATOM 0 H VAL A 8 28.948 -2.490 0.314 1.00 0.00 H new ATOM 0 HA VAL A 8 29.305 -1.678 -2.373 1.00 0.00 H new ATOM 0 HB VAL A 8 28.460 -4.022 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 8 26.099 -4.506 -2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 8 27.041 -4.218 -0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 8 25.963 -2.950 -1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 8 26.716 -3.377 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 8 26.606 -1.774 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 8 28.108 -2.269 -4.420 1.00 0.00 H new ATOM 82 N LYS A 9 27.396 -0.041 -2.031 1.00 0.00 N ATOM 83 CA LYS A 9 26.491 1.046 -1.676 1.00 0.00 C ATOM 84 C LYS A 9 25.054 0.702 -2.055 1.00 0.00 C ATOM 85 O LYS A 9 24.791 0.062 -3.074 1.00 0.00 O ATOM 86 CB LYS A 9 26.917 2.340 -2.371 1.00 0.00 C ATOM 87 CG LYS A 9 28.141 2.990 -1.749 1.00 0.00 C ATOM 88 CD LYS A 9 28.444 4.335 -2.388 1.00 0.00 C ATOM 89 CE LYS A 9 29.193 4.173 -3.701 1.00 0.00 C ATOM 90 NZ LYS A 9 28.284 3.783 -4.815 1.00 0.00 N ATOM 0 H LYS A 9 27.848 0.067 -2.939 1.00 0.00 H new ATOM 0 HA LYS A 9 26.540 1.188 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.122 2.128 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.088 3.047 -2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 9 27.980 3.123 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 9 29.001 2.330 -1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.513 4.873 -2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 9 29.037 4.939 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 9 29.693 5.109 -3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 9 29.970 3.417 -3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 28.512 4.343 -5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.406 2.772 -5.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.298 3.962 -4.537 1.00 0.00 H new ATOM 104 N PRO A 10 24.100 1.138 -1.219 1.00 0.00 N ATOM 105 CA PRO A 10 22.673 0.890 -1.447 1.00 0.00 C ATOM 106 C PRO A 10 22.130 1.679 -2.633 1.00 0.00 C ATOM 107 O PRO A 10 22.302 2.894 -2.733 1.00 0.00 O ATOM 108 CB PRO A 10 22.019 1.362 -0.146 1.00 0.00 C ATOM 109 CG PRO A 10 22.966 2.368 0.411 1.00 0.00 C ATOM 110 CD PRO A 10 24.341 1.907 0.014 1.00 0.00 C ATOM 0 HA PRO A 10 22.474 -0.155 -1.686 1.00 0.00 H new ATOM 0 HB2 PRO A 10 21.039 1.801 -0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 10 21.870 0.533 0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 10 22.758 3.362 0.014 1.00 0.00 H new ATOM 0 HG3 PRO A 10 22.874 2.432 1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 10 25.012 2.748 -0.162 1.00 0.00 H new ATOM 0 HD3 PRO A 10 24.798 1.291 0.789 1.00 0.00 H new ATOM 118 N PRO A 11 21.459 0.974 -3.556 1.00 0.00 N ATOM 119 CA PRO A 11 20.876 1.589 -4.753 1.00 0.00 C ATOM 120 C PRO A 11 19.683 2.481 -4.424 1.00 0.00 C ATOM 121 O PRO A 11 19.498 3.536 -5.030 1.00 0.00 O ATOM 122 CB PRO A 11 20.430 0.387 -5.588 1.00 0.00 C ATOM 123 CG PRO A 11 20.210 -0.703 -4.597 1.00 0.00 C ATOM 124 CD PRO A 11 21.216 -0.477 -3.503 1.00 0.00 C ATOM 0 HA PRO A 11 21.586 2.240 -5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 11 19.518 0.607 -6.143 1.00 0.00 H new ATOM 0 HB3 PRO A 11 21.189 0.110 -6.319 1.00 0.00 H new ATOM 0 HG2 PRO A 11 19.194 -0.674 -4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 11 20.347 -1.682 -5.057 1.00 0.00 H new ATOM 0 HD2 PRO A 11 20.829 -0.784 -2.532 1.00 0.00 H new ATOM 0 HD3 PRO A 11 22.131 -1.044 -3.675 1.00 0.00 H new ATOM 132 N HIS A 12 18.876 2.050 -3.459 1.00 0.00 N ATOM 133 CA HIS A 12 17.701 2.810 -3.049 1.00 0.00 C ATOM 134 C HIS A 12 17.241 2.390 -1.656 1.00 0.00 C ATOM 135 O HIS A 12 17.892 1.583 -0.994 1.00 0.00 O ATOM 136 CB HIS A 12 16.566 2.617 -4.054 1.00 0.00 C ATOM 137 CG HIS A 12 16.378 1.193 -4.479 1.00 0.00 C ATOM 138 ND1 HIS A 12 15.720 0.258 -3.707 1.00 0.00 N ATOM 139 CD2 HIS A 12 16.765 0.546 -5.603 1.00 0.00 C ATOM 140 CE1 HIS A 12 15.712 -0.903 -4.338 1.00 0.00 C ATOM 141 NE2 HIS A 12 16.339 -0.755 -5.491 1.00 0.00 N ATOM 0 H HIS A 12 19.015 1.179 -2.947 1.00 0.00 H new ATOM 0 HA HIS A 12 17.974 3.865 -3.019 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.637 2.982 -3.615 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.764 3.227 -4.935 1.00 0.00 H new ATOM 0 HD2 HIS A 12 17.308 0.973 -6.433 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.268 -1.817 -3.973 1.00 0.00 H new ATOM 0 HE2 HIS A 12 16.483 -1.488 -6.186 1.00 0.00 H new ATOM 150 N GLY A 13 16.114 2.943 -1.218 1.00 0.00 N ATOM 151 CA GLY A 13 15.587 2.614 0.093 1.00 0.00 C ATOM 152 C GLY A 13 14.355 1.733 0.019 1.00 0.00 C ATOM 153 O GLY A 13 13.298 2.087 0.541 1.00 0.00 O ATOM 0 H GLY A 13 15.557 3.613 -1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 13 16.358 2.108 0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 13 15.341 3.534 0.623 1.00 0.00 H new ATOM 157 N PHE A 14 14.490 0.584 -0.634 1.00 0.00 N ATOM 158 CA PHE A 14 13.379 -0.349 -0.778 1.00 0.00 C ATOM 159 C PHE A 14 13.814 -1.770 -0.435 1.00 0.00 C ATOM 160 O PHE A 14 14.997 -2.101 -0.501 1.00 0.00 O ATOM 161 CB PHE A 14 12.828 -0.302 -2.205 1.00 0.00 C ATOM 162 CG PHE A 14 12.149 0.994 -2.544 1.00 0.00 C ATOM 163 CD1 PHE A 14 12.867 2.178 -2.582 1.00 0.00 C ATOM 164 CD2 PHE A 14 10.792 1.028 -2.823 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.245 3.372 -2.894 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.165 2.219 -3.136 1.00 0.00 C ATOM 167 CZ PHE A 14 10.892 3.393 -3.170 1.00 0.00 C ATOM 0 H PHE A 14 15.358 0.276 -1.072 1.00 0.00 H new ATOM 0 HA PHE A 14 12.594 -0.051 -0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.645 -0.469 -2.907 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.120 -1.120 -2.339 1.00 0.00 H new ATOM 0 HD1 PHE A 14 13.925 2.168 -2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.218 0.114 -2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 14 12.817 4.288 -2.922 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.107 2.232 -3.354 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.403 4.325 -3.412 1.00 0.00 H new ATOM 177 N GLN A 15 12.847 -2.606 -0.067 1.00 0.00 N ATOM 178 CA GLN A 15 13.130 -3.991 0.288 1.00 0.00 C ATOM 179 C GLN A 15 12.111 -4.934 -0.343 1.00 0.00 C ATOM 180 O GLN A 15 11.033 -4.511 -0.761 1.00 0.00 O ATOM 181 CB GLN A 15 13.127 -4.161 1.808 1.00 0.00 C ATOM 182 CG GLN A 15 14.143 -3.283 2.520 1.00 0.00 C ATOM 183 CD GLN A 15 14.104 -3.450 4.027 1.00 0.00 C ATOM 184 OE1 GLN A 15 14.222 -4.561 4.543 1.00 0.00 O ATOM 185 NE2 GLN A 15 13.939 -2.343 4.741 1.00 0.00 N ATOM 0 H GLN A 15 11.862 -2.348 -0.007 1.00 0.00 H new ATOM 0 HA GLN A 15 14.118 -4.243 -0.097 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.132 -3.933 2.189 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.329 -5.205 2.049 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.142 -3.523 2.157 1.00 0.00 H new ATOM 0 HG3 GLN A 15 13.955 -2.239 2.269 1.00 0.00 H new ATOM 0 HE21 GLN A 15 13.845 -1.442 4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 15 13.906 -2.393 5.759 1.00 0.00 H new ATOM 194 N LYS A 16 12.459 -6.215 -0.409 1.00 0.00 N ATOM 195 CA LYS A 16 11.575 -7.219 -0.988 1.00 0.00 C ATOM 196 C LYS A 16 10.554 -7.702 0.037 1.00 0.00 C ATOM 197 O LYS A 16 10.834 -7.743 1.235 1.00 0.00 O ATOM 198 CB LYS A 16 12.389 -8.405 -1.510 1.00 0.00 C ATOM 199 CG LYS A 16 12.893 -8.219 -2.931 1.00 0.00 C ATOM 200 CD LYS A 16 14.191 -8.973 -3.166 1.00 0.00 C ATOM 201 CE LYS A 16 14.320 -9.425 -4.612 1.00 0.00 C ATOM 202 NZ LYS A 16 15.621 -10.102 -4.868 1.00 0.00 N ATOM 0 H LYS A 16 13.348 -6.582 -0.068 1.00 0.00 H new ATOM 0 HA LYS A 16 11.040 -6.759 -1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.241 -8.569 -0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.774 -9.304 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.137 -8.567 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.047 -7.158 -3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.036 -8.335 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.233 -9.841 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.503 -10.105 -4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.223 -8.563 -5.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.670 -10.395 -5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.401 -9.445 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.703 -10.939 -4.257 1.00 0.00 H new ATOM 216 N LYS A 17 9.370 -8.069 -0.441 1.00 0.00 N ATOM 217 CA LYS A 17 8.308 -8.552 0.434 1.00 0.00 C ATOM 218 C LYS A 17 7.841 -7.452 1.382 1.00 0.00 C ATOM 219 O LYS A 17 7.478 -7.720 2.527 1.00 0.00 O ATOM 220 CB LYS A 17 8.791 -9.762 1.237 1.00 0.00 C ATOM 221 CG LYS A 17 9.452 -10.832 0.386 1.00 0.00 C ATOM 222 CD LYS A 17 9.609 -12.135 1.152 1.00 0.00 C ATOM 223 CE LYS A 17 9.741 -13.322 0.210 1.00 0.00 C ATOM 224 NZ LYS A 17 10.032 -14.584 0.946 1.00 0.00 N ATOM 0 H LYS A 17 9.121 -8.041 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 17 7.466 -8.851 -0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.497 -9.425 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.943 -10.200 1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.856 -11.005 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.430 -10.483 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.489 -12.078 1.793 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.748 -12.281 1.805 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.819 -13.438 -0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.537 -13.129 -0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.115 -15.369 0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.925 -14.483 1.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.260 -14.782 1.614 1.00 0.00 H new ATOM 238 N MET A 18 7.853 -6.215 0.897 1.00 0.00 N ATOM 239 CA MET A 18 7.428 -5.075 1.702 1.00 0.00 C ATOM 240 C MET A 18 6.206 -4.400 1.087 1.00 0.00 C ATOM 241 O MET A 18 5.696 -4.838 0.055 1.00 0.00 O ATOM 242 CB MET A 18 8.569 -4.065 1.836 1.00 0.00 C ATOM 243 CG MET A 18 8.681 -3.113 0.656 1.00 0.00 C ATOM 244 SD MET A 18 9.736 -1.694 1.005 1.00 0.00 S ATOM 245 CE MET A 18 9.597 -0.783 -0.531 1.00 0.00 C ATOM 0 H MET A 18 8.152 -5.976 -0.048 1.00 0.00 H new ATOM 0 HA MET A 18 7.158 -5.442 2.692 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.424 -3.485 2.748 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.510 -4.605 1.947 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.077 -3.652 -0.204 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.686 -2.762 0.382 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.690 0.284 -0.331 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.389 -1.095 -1.212 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.627 -0.983 -0.986 1.00 0.00 H new ATOM 255 N LYS A 19 5.741 -3.333 1.727 1.00 0.00 N ATOM 256 CA LYS A 19 4.579 -2.597 1.243 1.00 0.00 C ATOM 257 C LYS A 19 4.932 -1.137 0.977 1.00 0.00 C ATOM 258 O LYS A 19 5.679 -0.520 1.738 1.00 0.00 O ATOM 259 CB LYS A 19 3.437 -2.680 2.259 1.00 0.00 C ATOM 260 CG LYS A 19 2.792 -4.053 2.337 1.00 0.00 C ATOM 261 CD LYS A 19 2.177 -4.457 1.008 1.00 0.00 C ATOM 262 CE LYS A 19 0.974 -5.367 1.204 1.00 0.00 C ATOM 263 NZ LYS A 19 1.362 -6.681 1.788 1.00 0.00 N ATOM 0 H LYS A 19 6.151 -2.958 2.582 1.00 0.00 H new ATOM 0 HA LYS A 19 4.257 -3.051 0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.818 -2.410 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.676 -1.944 1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.538 -4.790 2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.023 -4.051 3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.874 -3.565 0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.925 -4.966 0.400 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.252 -4.878 1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.480 -5.527 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.515 -7.272 1.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.032 -7.159 1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.811 -6.530 2.714 1.00 0.00 H new ATOM 277 N LEU A 20 4.389 -0.589 -0.104 1.00 0.00 N ATOM 278 CA LEU A 20 4.645 0.800 -0.469 1.00 0.00 C ATOM 279 C LEU A 20 3.533 1.343 -1.360 1.00 0.00 C ATOM 280 O LEU A 20 3.012 0.634 -2.220 1.00 0.00 O ATOM 281 CB LEU A 20 5.992 0.919 -1.185 1.00 0.00 C ATOM 282 CG LEU A 20 5.949 0.842 -2.712 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.611 2.200 -3.306 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.276 0.335 -3.257 1.00 0.00 C ATOM 0 H LEU A 20 3.768 -1.085 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 20 4.673 1.391 0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.449 1.867 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.646 0.128 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 20 5.168 0.138 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.585 2.125 -4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.636 2.524 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.369 2.925 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.228 0.286 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.075 1.014 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.477 -0.659 -2.858 1.00 0.00 H new ATOM 296 N GLU A 21 3.175 2.606 -1.149 1.00 0.00 N ATOM 297 CA GLU A 21 2.125 3.244 -1.934 1.00 0.00 C ATOM 298 C GLU A 21 2.671 3.740 -3.270 1.00 0.00 C ATOM 299 O GLU A 21 3.606 4.539 -3.313 1.00 0.00 O ATOM 300 CB GLU A 21 1.513 4.410 -1.156 1.00 0.00 C ATOM 301 CG GLU A 21 0.867 3.995 0.155 1.00 0.00 C ATOM 302 CD GLU A 21 0.310 5.173 0.930 1.00 0.00 C ATOM 303 OE1 GLU A 21 0.234 6.279 0.356 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.050 4.989 2.112 1.00 0.00 O ATOM 0 H GLU A 21 3.597 3.207 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 21 1.351 2.502 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.290 5.147 -0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.766 4.900 -1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.064 3.286 -0.048 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.602 3.476 0.770 1.00 0.00 H new ATOM 311 N VAL A 22 2.079 3.260 -4.359 1.00 0.00 N ATOM 312 CA VAL A 22 2.504 3.654 -5.697 1.00 0.00 C ATOM 313 C VAL A 22 1.405 4.428 -6.417 1.00 0.00 C ATOM 314 O VAL A 22 0.222 4.111 -6.290 1.00 0.00 O ATOM 315 CB VAL A 22 2.894 2.429 -6.545 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.042 2.818 -8.008 1.00 0.00 C ATOM 317 CG2 VAL A 22 4.177 1.804 -6.019 1.00 0.00 C ATOM 0 H VAL A 22 1.304 2.598 -4.341 1.00 0.00 H new ATOM 0 HA VAL A 22 3.377 4.296 -5.576 1.00 0.00 H new ATOM 0 HB VAL A 22 2.098 1.688 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.318 1.940 -8.592 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.096 3.216 -8.376 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.818 3.577 -8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.438 0.940 -6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.983 2.536 -6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.031 1.487 -4.986 1.00 0.00 H new ATOM 327 N VAL A 23 1.805 5.444 -7.175 1.00 0.00 N ATOM 328 CA VAL A 23 0.854 6.264 -7.917 1.00 0.00 C ATOM 329 C VAL A 23 0.516 5.631 -9.262 1.00 0.00 C ATOM 330 O VAL A 23 1.381 5.486 -10.127 1.00 0.00 O ATOM 331 CB VAL A 23 1.402 7.684 -8.154 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.481 8.464 -9.079 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.583 8.411 -6.830 1.00 0.00 C ATOM 0 H VAL A 23 2.780 5.719 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.050 6.328 -7.311 1.00 0.00 H new ATOM 0 HB VAL A 23 2.377 7.604 -8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.884 9.465 -9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.407 7.949 -10.037 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.509 8.538 -8.629 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.971 9.413 -7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.622 8.482 -6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.286 7.860 -6.205 1.00 0.00 H new ATOM 343 N ASP A 24 -0.747 5.255 -9.433 1.00 0.00 N ATOM 344 CA ASP A 24 -1.200 4.638 -10.674 1.00 0.00 C ATOM 345 C ASP A 24 -0.819 5.495 -11.877 1.00 0.00 C ATOM 346 O ASP A 24 -1.381 6.570 -12.091 1.00 0.00 O ATOM 347 CB ASP A 24 -2.715 4.429 -10.640 1.00 0.00 C ATOM 348 CG ASP A 24 -3.171 3.348 -11.601 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.453 2.336 -11.740 1.00 0.00 O ATOM 350 OD2 ASP A 24 -4.247 3.514 -12.212 1.00 0.00 O ATOM 0 H ASP A 24 -1.475 5.367 -8.728 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.709 3.670 -10.771 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.020 4.164 -9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.214 5.366 -10.888 1.00 0.00 H new ATOM 355 N LYS A 25 0.140 5.013 -12.660 1.00 0.00 N ATOM 356 CA LYS A 25 0.597 5.734 -13.843 1.00 0.00 C ATOM 357 C LYS A 25 -0.582 6.326 -14.608 1.00 0.00 C ATOM 358 O LYS A 25 -0.652 7.537 -14.818 1.00 0.00 O ATOM 359 CB LYS A 25 1.396 4.801 -14.756 1.00 0.00 C ATOM 360 CG LYS A 25 2.104 3.681 -14.013 1.00 0.00 C ATOM 361 CD LYS A 25 2.897 4.211 -12.831 1.00 0.00 C ATOM 362 CE LYS A 25 4.280 4.682 -13.254 1.00 0.00 C ATOM 363 NZ LYS A 25 5.229 3.545 -13.413 1.00 0.00 N ATOM 0 H LYS A 25 0.616 4.126 -12.497 1.00 0.00 H new ATOM 0 HA LYS A 25 1.241 6.550 -13.515 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.723 4.366 -15.495 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.135 5.387 -15.303 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.371 2.954 -13.664 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.773 3.156 -14.695 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.356 5.037 -12.369 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.992 3.431 -12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.206 5.227 -14.195 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.669 5.379 -12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.156 3.809 -13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.863 2.714 -12.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.331 3.317 -14.422 1.00 0.00 H new ATOM 377 N ARG A 26 -1.506 5.465 -15.022 1.00 0.00 N ATOM 378 CA ARG A 26 -2.681 5.904 -15.764 1.00 0.00 C ATOM 379 C ARG A 26 -3.511 6.883 -14.938 1.00 0.00 C ATOM 380 O ARG A 26 -4.122 7.803 -15.479 1.00 0.00 O ATOM 381 CB ARG A 26 -3.539 4.701 -16.161 1.00 0.00 C ATOM 382 CG ARG A 26 -2.749 3.410 -16.301 1.00 0.00 C ATOM 383 CD ARG A 26 -3.454 2.421 -17.216 1.00 0.00 C ATOM 384 NE ARG A 26 -3.901 3.048 -18.457 1.00 0.00 N ATOM 385 CZ ARG A 26 -4.753 2.478 -19.303 1.00 0.00 C ATOM 386 NH1 ARG A 26 -5.247 1.276 -19.042 1.00 0.00 N ATOM 387 NH2 ARG A 26 -5.111 3.112 -20.412 1.00 0.00 N ATOM 0 H ARG A 26 -1.463 4.460 -14.856 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.341 6.413 -16.666 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.320 4.560 -15.414 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.037 4.917 -17.106 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.758 3.630 -16.697 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.607 2.961 -15.318 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.779 1.597 -17.448 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.311 1.994 -16.696 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.540 3.974 -18.687 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.973 0.786 -18.190 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.901 0.841 -19.693 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.732 4.037 -20.616 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.765 2.674 -21.061 1.00 0.00 H new ATOM 401 N ASN A 27 -3.527 6.677 -13.625 1.00 0.00 N ATOM 402 CA ASN A 27 -4.283 7.540 -12.725 1.00 0.00 C ATOM 403 C ASN A 27 -3.378 8.123 -11.644 1.00 0.00 C ATOM 404 O ASN A 27 -3.170 7.529 -10.586 1.00 0.00 O ATOM 405 CB ASN A 27 -5.430 6.761 -12.080 1.00 0.00 C ATOM 406 CG ASN A 27 -6.703 6.820 -12.902 1.00 0.00 C ATOM 407 OD1 ASN A 27 -7.249 7.896 -13.146 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.183 5.659 -13.333 1.00 0.00 N ATOM 0 H ASN A 27 -3.025 5.920 -13.161 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.696 8.361 -13.311 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.132 5.721 -11.951 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.624 7.162 -11.085 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.037 5.635 -13.890 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.697 4.791 -13.107 1.00 0.00 H new ATOM 415 N PRO A 28 -2.826 9.316 -11.914 1.00 0.00 N ATOM 416 CA PRO A 28 -1.936 10.007 -10.976 1.00 0.00 C ATOM 417 C PRO A 28 -2.675 10.517 -9.744 1.00 0.00 C ATOM 418 O PRO A 28 -2.057 10.865 -8.738 1.00 0.00 O ATOM 419 CB PRO A 28 -1.395 11.179 -11.799 1.00 0.00 C ATOM 420 CG PRO A 28 -2.435 11.426 -12.836 1.00 0.00 C ATOM 421 CD PRO A 28 -3.030 10.083 -13.154 1.00 0.00 C ATOM 0 HA PRO A 28 -1.160 9.347 -10.588 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.239 12.061 -11.177 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.434 10.934 -12.252 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.197 12.113 -12.468 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.999 11.880 -13.726 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.087 10.162 -13.408 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.532 9.614 -14.003 1.00 0.00 H new ATOM 429 N MET A 29 -4.000 10.559 -9.829 1.00 0.00 N ATOM 430 CA MET A 29 -4.823 11.025 -8.719 1.00 0.00 C ATOM 431 C MET A 29 -5.317 9.853 -7.878 1.00 0.00 C ATOM 432 O MET A 29 -6.225 10.002 -7.060 1.00 0.00 O ATOM 433 CB MET A 29 -6.015 11.830 -9.243 1.00 0.00 C ATOM 434 CG MET A 29 -7.052 10.982 -9.961 1.00 0.00 C ATOM 435 SD MET A 29 -8.226 11.973 -10.905 1.00 0.00 S ATOM 436 CE MET A 29 -7.184 12.546 -12.245 1.00 0.00 C ATOM 0 H MET A 29 -4.527 10.276 -10.655 1.00 0.00 H new ATOM 0 HA MET A 29 -4.208 11.667 -8.089 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.492 12.343 -8.408 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.652 12.600 -9.924 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.546 10.288 -10.632 1.00 0.00 H new ATOM 0 HG3 MET A 29 -7.594 10.382 -9.230 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.807 12.843 -13.089 1.00 0.00 H new ATOM 0 HE2 MET A 29 -6.596 13.400 -11.909 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.514 11.743 -12.554 1.00 0.00 H new ATOM 446 N PHE A 30 -4.714 8.686 -8.085 1.00 0.00 N ATOM 447 CA PHE A 30 -5.094 7.488 -7.346 1.00 0.00 C ATOM 448 C PHE A 30 -3.859 6.736 -6.858 1.00 0.00 C ATOM 449 O PHE A 30 -2.934 6.474 -7.627 1.00 0.00 O ATOM 450 CB PHE A 30 -5.949 6.571 -8.224 1.00 0.00 C ATOM 451 CG PHE A 30 -7.375 7.025 -8.352 1.00 0.00 C ATOM 452 CD1 PHE A 30 -7.713 8.057 -9.213 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.378 6.418 -7.614 1.00 0.00 C ATOM 454 CE1 PHE A 30 -9.024 8.476 -9.332 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.691 6.833 -7.730 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.015 7.862 -8.591 1.00 0.00 C ATOM 0 H PHE A 30 -3.961 8.545 -8.758 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.677 7.796 -6.478 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.504 6.513 -9.217 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.932 5.564 -7.808 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.943 8.539 -9.797 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.131 5.611 -6.940 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.274 9.283 -10.004 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.463 6.353 -7.147 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.041 8.186 -8.685 1.00 0.00 H new ATOM 466 N ILE A 31 -3.852 6.393 -5.574 1.00 0.00 N ATOM 467 CA ILE A 31 -2.732 5.671 -4.983 1.00 0.00 C ATOM 468 C ILE A 31 -3.208 4.420 -4.252 1.00 0.00 C ATOM 469 O ILE A 31 -4.250 4.431 -3.596 1.00 0.00 O ATOM 470 CB ILE A 31 -1.946 6.559 -4.000 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.406 7.797 -4.717 1.00 0.00 C ATOM 472 CG2 ILE A 31 -0.811 5.770 -3.365 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.134 8.962 -3.790 1.00 0.00 C ATOM 0 H ILE A 31 -4.609 6.603 -4.924 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.075 5.381 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.621 6.886 -3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.484 7.533 -5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.122 8.108 -5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.265 6.411 -2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.219 4.917 -2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.134 5.416 -4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.753 9.805 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.058 9.252 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.395 8.669 -3.045 1.00 0.00 H new ATOM 485 N ARG A 32 -2.437 3.344 -4.368 1.00 0.00 N ATOM 486 CA ARG A 32 -2.780 2.085 -3.718 1.00 0.00 C ATOM 487 C ARG A 32 -1.529 1.387 -3.192 1.00 0.00 C ATOM 488 O ARG A 32 -0.409 1.722 -3.578 1.00 0.00 O ATOM 489 CB ARG A 32 -3.517 1.166 -4.695 1.00 0.00 C ATOM 490 CG ARG A 32 -4.816 1.755 -5.222 1.00 0.00 C ATOM 491 CD ARG A 32 -5.804 0.665 -5.609 1.00 0.00 C ATOM 492 NE ARG A 32 -6.957 1.203 -6.327 1.00 0.00 N ATOM 493 CZ ARG A 32 -8.006 0.470 -6.685 1.00 0.00 C ATOM 494 NH1 ARG A 32 -8.046 -0.823 -6.394 1.00 0.00 N ATOM 495 NH2 ARG A 32 -9.017 1.031 -7.335 1.00 0.00 N ATOM 0 H ARG A 32 -1.571 3.319 -4.906 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.434 2.307 -2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.861 0.943 -5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.732 0.219 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.260 2.398 -4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.607 2.383 -6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.302 -0.075 -6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.144 0.148 -4.712 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.957 2.195 -6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.270 -1.257 -5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.852 -1.383 -6.670 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.989 2.025 -7.560 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.822 0.468 -7.610 1.00 0.00 H new ATOM 509 N VAL A 33 -1.728 0.414 -2.308 1.00 0.00 N ATOM 510 CA VAL A 33 -0.617 -0.332 -1.729 1.00 0.00 C ATOM 511 C VAL A 33 0.071 -1.196 -2.780 1.00 0.00 C ATOM 512 O VAL A 33 -0.574 -1.718 -3.688 1.00 0.00 O ATOM 513 CB VAL A 33 -1.088 -1.230 -0.570 1.00 0.00 C ATOM 514 CG1 VAL A 33 0.070 -2.054 -0.028 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.717 -0.391 0.532 1.00 0.00 C ATOM 0 H VAL A 33 -2.648 0.124 -1.977 1.00 0.00 H new ATOM 0 HA VAL A 33 0.092 0.402 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.845 -1.916 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.282 -2.682 0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.472 -2.684 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.852 -1.387 0.337 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.044 -1.042 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.984 0.321 0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.575 0.150 0.133 1.00 0.00 H new ATOM 525 N ALA A 34 1.386 -1.342 -2.648 1.00 0.00 N ATOM 526 CA ALA A 34 2.162 -2.145 -3.585 1.00 0.00 C ATOM 527 C ALA A 34 3.080 -3.114 -2.847 1.00 0.00 C ATOM 528 O ALA A 34 3.239 -3.031 -1.629 1.00 0.00 O ATOM 529 CB ALA A 34 2.973 -1.245 -4.506 1.00 0.00 C ATOM 0 H ALA A 34 1.935 -0.915 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 34 1.467 -2.730 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.548 -1.858 -5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.300 -0.596 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.654 -0.635 -3.912 1.00 0.00 H new ATOM 535 N THR A 35 3.682 -4.036 -3.593 1.00 0.00 N ATOM 536 CA THR A 35 4.582 -5.023 -3.009 1.00 0.00 C ATOM 537 C THR A 35 5.811 -5.232 -3.886 1.00 0.00 C ATOM 538 O THR A 35 5.704 -5.693 -5.023 1.00 0.00 O ATOM 539 CB THR A 35 3.875 -6.376 -2.805 1.00 0.00 C ATOM 540 OG1 THR A 35 2.784 -6.225 -1.889 1.00 0.00 O ATOM 541 CG2 THR A 35 4.847 -7.420 -2.275 1.00 0.00 C ATOM 0 H THR A 35 3.562 -4.119 -4.603 1.00 0.00 H new ATOM 0 HA THR A 35 4.892 -4.634 -2.039 1.00 0.00 H new ATOM 0 HB THR A 35 3.496 -6.712 -3.770 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.338 -7.089 -1.766 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.325 -8.367 -2.139 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.661 -7.554 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.252 -7.088 -1.319 1.00 0.00 H new ATOM 549 N VAL A 36 6.979 -4.890 -3.351 1.00 0.00 N ATOM 550 CA VAL A 36 8.230 -5.042 -4.085 1.00 0.00 C ATOM 551 C VAL A 36 8.562 -6.514 -4.304 1.00 0.00 C ATOM 552 O VAL A 36 9.019 -7.200 -3.391 1.00 0.00 O ATOM 553 CB VAL A 36 9.400 -4.367 -3.345 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.635 -4.319 -4.232 1.00 0.00 C ATOM 555 CG2 VAL A 36 9.006 -2.971 -2.888 1.00 0.00 C ATOM 0 H VAL A 36 7.085 -4.506 -2.412 1.00 0.00 H new ATOM 0 HA VAL A 36 8.093 -4.556 -5.051 1.00 0.00 H new ATOM 0 HB VAL A 36 9.640 -4.959 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.452 -3.839 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.927 -5.333 -4.505 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.413 -3.750 -5.135 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.844 -2.509 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.739 -2.366 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.152 -3.036 -2.214 1.00 0.00 H new ATOM 565 N ALA A 37 8.331 -6.992 -5.522 1.00 0.00 N ATOM 566 CA ALA A 37 8.608 -8.382 -5.863 1.00 0.00 C ATOM 567 C ALA A 37 10.088 -8.588 -6.167 1.00 0.00 C ATOM 568 O ALA A 37 10.657 -9.633 -5.852 1.00 0.00 O ATOM 569 CB ALA A 37 7.759 -8.814 -7.049 1.00 0.00 C ATOM 0 H ALA A 37 7.953 -6.437 -6.290 1.00 0.00 H new ATOM 0 HA ALA A 37 8.351 -8.999 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.976 -9.854 -7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.703 -8.713 -6.797 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.988 -8.185 -7.909 1.00 0.00 H new ATOM 575 N ASP A 38 10.706 -7.585 -6.781 1.00 0.00 N ATOM 576 CA ASP A 38 12.121 -7.656 -7.127 1.00 0.00 C ATOM 577 C ASP A 38 12.749 -6.265 -7.134 1.00 0.00 C ATOM 578 O ASP A 38 12.135 -5.296 -7.581 1.00 0.00 O ATOM 579 CB ASP A 38 12.301 -8.317 -8.494 1.00 0.00 C ATOM 580 CG ASP A 38 13.680 -8.922 -8.668 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.652 -8.348 -8.132 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.788 -9.969 -9.339 1.00 0.00 O ATOM 0 H ASP A 38 10.249 -6.713 -7.049 1.00 0.00 H new ATOM 0 HA ASP A 38 12.625 -8.259 -6.372 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.548 -9.095 -8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.130 -7.578 -9.277 1.00 0.00 H new ATOM 587 N THR A 39 13.978 -6.174 -6.633 1.00 0.00 N ATOM 588 CA THR A 39 14.688 -4.903 -6.580 1.00 0.00 C ATOM 589 C THR A 39 15.808 -4.855 -7.613 1.00 0.00 C ATOM 590 O THR A 39 16.821 -5.539 -7.477 1.00 0.00 O ATOM 591 CB THR A 39 15.284 -4.651 -5.182 1.00 0.00 C ATOM 592 OG1 THR A 39 15.927 -5.838 -4.702 1.00 0.00 O ATOM 593 CG2 THR A 39 14.203 -4.223 -4.201 1.00 0.00 C ATOM 0 H THR A 39 14.501 -6.966 -6.259 1.00 0.00 H new ATOM 0 HA THR A 39 13.959 -4.124 -6.802 1.00 0.00 H new ATOM 0 HB THR A 39 16.017 -3.848 -5.264 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.479 -6.222 -5.415 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.648 -4.051 -3.221 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.735 -3.304 -4.553 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.450 -5.007 -4.125 1.00 0.00 H new ATOM 601 N ASP A 40 15.618 -4.041 -8.646 1.00 0.00 N ATOM 602 CA ASP A 40 16.613 -3.902 -9.703 1.00 0.00 C ATOM 603 C ASP A 40 17.699 -2.909 -9.300 1.00 0.00 C ATOM 604 O ASP A 40 17.629 -2.296 -8.234 1.00 0.00 O ATOM 605 CB ASP A 40 15.948 -3.449 -11.003 1.00 0.00 C ATOM 606 CG ASP A 40 16.797 -3.749 -12.223 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.317 -4.880 -12.321 1.00 0.00 O ATOM 608 OD2 ASP A 40 16.941 -2.852 -13.080 1.00 0.00 O ATOM 0 H ASP A 40 14.784 -3.468 -8.774 1.00 0.00 H new ATOM 0 HA ASP A 40 17.077 -4.876 -9.862 1.00 0.00 H new ATOM 0 HB2 ASP A 40 14.982 -3.944 -11.105 1.00 0.00 H new ATOM 0 HB3 ASP A 40 15.753 -2.378 -10.954 1.00 0.00 H new ATOM 613 N ASP A 41 18.701 -2.756 -10.157 1.00 0.00 N ATOM 614 CA ASP A 41 19.802 -1.837 -9.891 1.00 0.00 C ATOM 615 C ASP A 41 19.286 -0.525 -9.307 1.00 0.00 C ATOM 616 O ASP A 41 19.560 -0.197 -8.152 1.00 0.00 O ATOM 617 CB ASP A 41 20.589 -1.564 -11.174 1.00 0.00 C ATOM 618 CG ASP A 41 21.469 -2.732 -11.573 1.00 0.00 C ATOM 619 OD1 ASP A 41 22.451 -3.008 -10.853 1.00 0.00 O ATOM 620 OD2 ASP A 41 21.176 -3.371 -12.606 1.00 0.00 O ATOM 0 H ASP A 41 18.774 -3.256 -11.043 1.00 0.00 H new ATOM 0 HA ASP A 41 20.463 -2.304 -9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.893 -1.344 -11.984 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.208 -0.677 -11.036 1.00 0.00 H new ATOM 625 N HIS A 42 18.539 0.222 -10.114 1.00 0.00 N ATOM 626 CA HIS A 42 17.984 1.499 -9.677 1.00 0.00 C ATOM 627 C HIS A 42 16.467 1.514 -9.834 1.00 0.00 C ATOM 628 O HIS A 42 15.863 2.570 -10.023 1.00 0.00 O ATOM 629 CB HIS A 42 18.603 2.647 -10.475 1.00 0.00 C ATOM 630 CG HIS A 42 20.041 2.423 -10.830 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.083 3.043 -10.173 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.608 1.641 -11.778 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.228 2.653 -10.703 1.00 0.00 C ATOM 634 NE2 HIS A 42 21.968 1.801 -11.679 1.00 0.00 N ATOM 0 H HIS A 42 18.304 -0.034 -11.073 1.00 0.00 H new ATOM 0 HA HIS A 42 18.223 1.630 -8.622 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.030 2.793 -11.391 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.519 3.567 -9.897 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.087 1.009 -12.482 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.210 2.976 -10.392 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.664 1.338 -12.263 1.00 0.00 H new ATOM 643 N ARG A 43 15.856 0.336 -9.755 1.00 0.00 N ATOM 644 CA ARG A 43 14.410 0.215 -9.891 1.00 0.00 C ATOM 645 C ARG A 43 13.873 -0.906 -9.005 1.00 0.00 C ATOM 646 O ARG A 43 14.634 -1.736 -8.507 1.00 0.00 O ATOM 647 CB ARG A 43 14.033 -0.049 -11.350 1.00 0.00 C ATOM 648 CG ARG A 43 14.664 0.928 -12.328 1.00 0.00 C ATOM 649 CD ARG A 43 13.834 1.062 -13.595 1.00 0.00 C ATOM 650 NE ARG A 43 14.644 1.468 -14.740 1.00 0.00 N ATOM 651 CZ ARG A 43 15.459 0.647 -15.393 1.00 0.00 C ATOM 652 NH1 ARG A 43 15.571 -0.619 -15.016 1.00 0.00 N ATOM 653 NH2 ARG A 43 16.164 1.092 -16.425 1.00 0.00 N ATOM 0 H ARG A 43 16.340 -0.548 -9.598 1.00 0.00 H new ATOM 0 HA ARG A 43 13.960 1.155 -9.572 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.334 -1.062 -11.617 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.949 -0.002 -11.451 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.766 1.904 -11.854 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.669 0.591 -12.584 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.349 0.110 -13.813 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.042 1.793 -13.434 1.00 0.00 H new ATOM 0 HE ARG A 43 14.581 2.436 -15.056 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.031 -0.965 -14.223 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.197 -1.247 -15.519 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.081 2.065 -16.718 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.789 0.461 -16.926 1.00 0.00 H new ATOM 667 N VAL A 44 12.558 -0.923 -8.812 1.00 0.00 N ATOM 668 CA VAL A 44 11.919 -1.941 -7.987 1.00 0.00 C ATOM 669 C VAL A 44 10.539 -2.298 -8.526 1.00 0.00 C ATOM 670 O VAL A 44 9.652 -1.448 -8.605 1.00 0.00 O ATOM 671 CB VAL A 44 11.783 -1.475 -6.525 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.155 -1.270 -5.900 1.00 0.00 C ATOM 673 CG2 VAL A 44 10.957 -0.200 -6.448 1.00 0.00 C ATOM 0 H VAL A 44 11.914 -0.243 -9.216 1.00 0.00 H new ATOM 0 HA VAL A 44 12.558 -2.823 -8.021 1.00 0.00 H new ATOM 0 HB VAL A 44 11.266 -2.251 -5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.039 -0.941 -4.867 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.709 -2.209 -5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.702 -0.513 -6.463 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.871 0.115 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.445 0.585 -7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.963 -0.385 -6.855 1.00 0.00 H new ATOM 683 N LYS A 45 10.362 -3.562 -8.895 1.00 0.00 N ATOM 684 CA LYS A 45 9.089 -4.035 -9.425 1.00 0.00 C ATOM 685 C LYS A 45 7.994 -3.951 -8.366 1.00 0.00 C ATOM 686 O LYS A 45 8.020 -4.679 -7.373 1.00 0.00 O ATOM 687 CB LYS A 45 9.223 -5.476 -9.922 1.00 0.00 C ATOM 688 CG LYS A 45 8.115 -5.896 -10.873 1.00 0.00 C ATOM 689 CD LYS A 45 8.559 -7.034 -11.777 1.00 0.00 C ATOM 690 CE LYS A 45 7.813 -7.016 -13.102 1.00 0.00 C ATOM 691 NZ LYS A 45 8.360 -5.991 -14.033 1.00 0.00 N ATOM 0 H LYS A 45 11.086 -4.278 -8.837 1.00 0.00 H new ATOM 0 HA LYS A 45 8.812 -3.393 -10.261 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.184 -5.591 -10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.229 -6.148 -9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.240 -6.205 -10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.813 -5.043 -11.481 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.631 -6.957 -11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.389 -7.987 -11.275 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.876 -8.000 -13.567 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.757 -6.816 -12.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.366 -6.370 -15.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.766 -5.138 -13.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.331 -5.748 -13.750 1.00 0.00 H new ATOM 705 N VAL A 46 7.032 -3.060 -8.584 1.00 0.00 N ATOM 706 CA VAL A 46 5.927 -2.884 -7.650 1.00 0.00 C ATOM 707 C VAL A 46 4.678 -3.612 -8.133 1.00 0.00 C ATOM 708 O VAL A 46 4.096 -3.256 -9.158 1.00 0.00 O ATOM 709 CB VAL A 46 5.594 -1.393 -7.449 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.672 -0.713 -6.619 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.426 -0.700 -8.792 1.00 0.00 C ATOM 0 H VAL A 46 6.996 -2.449 -9.400 1.00 0.00 H new ATOM 0 HA VAL A 46 6.246 -3.309 -6.698 1.00 0.00 H new ATOM 0 HB VAL A 46 4.651 -1.318 -6.907 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.420 0.339 -6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.738 -1.195 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.631 -0.795 -7.130 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.191 0.352 -8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.351 -0.782 -9.362 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.615 -1.172 -9.346 1.00 0.00 H new ATOM 721 N HIS A 47 4.269 -4.633 -7.386 1.00 0.00 N ATOM 722 CA HIS A 47 3.086 -5.411 -7.738 1.00 0.00 C ATOM 723 C HIS A 47 1.905 -5.037 -6.848 1.00 0.00 C ATOM 724 O HIS A 47 2.013 -5.042 -5.621 1.00 0.00 O ATOM 725 CB HIS A 47 3.379 -6.907 -7.615 1.00 0.00 C ATOM 726 CG HIS A 47 2.149 -7.747 -7.459 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.643 -8.535 -8.471 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.324 -7.921 -6.400 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.558 -9.156 -8.042 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.344 -8.801 -6.788 1.00 0.00 N ATOM 0 H HIS A 47 4.739 -4.941 -6.534 1.00 0.00 H new ATOM 0 HA HIS A 47 2.825 -5.183 -8.772 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.924 -7.236 -8.500 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.033 -7.072 -6.758 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.043 -8.625 -9.405 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.419 -7.455 -5.431 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.050 -9.837 -8.619 1.00 0.00 H new ATOM 739 N PHE A 48 0.778 -4.712 -7.473 1.00 0.00 N ATOM 740 CA PHE A 48 -0.423 -4.334 -6.738 1.00 0.00 C ATOM 741 C PHE A 48 -1.178 -5.569 -6.257 1.00 0.00 C ATOM 742 O PHE A 48 -1.854 -6.240 -7.037 1.00 0.00 O ATOM 743 CB PHE A 48 -1.335 -3.475 -7.616 1.00 0.00 C ATOM 744 CG PHE A 48 -0.850 -2.063 -7.782 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.472 -1.803 -8.105 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.717 -0.995 -7.614 1.00 0.00 C ATOM 747 CE1 PHE A 48 0.921 -0.505 -8.259 1.00 0.00 C ATOM 748 CE2 PHE A 48 -1.274 0.305 -7.767 1.00 0.00 C ATOM 749 CZ PHE A 48 0.047 0.551 -8.089 1.00 0.00 C ATOM 0 H PHE A 48 0.672 -4.703 -8.487 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.118 -3.754 -5.867 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.422 -3.939 -8.599 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.334 -3.459 -7.181 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.160 -2.625 -8.238 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.750 -1.181 -7.361 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.954 -0.317 -8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.960 1.129 -7.635 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.395 1.566 -8.207 1.00 0.00 H new ATOM 759 N ASP A 49 -1.057 -5.864 -4.967 1.00 0.00 N ATOM 760 CA ASP A 49 -1.728 -7.018 -4.380 1.00 0.00 C ATOM 761 C ASP A 49 -3.126 -7.190 -4.967 1.00 0.00 C ATOM 762 O ASP A 49 -3.946 -6.274 -4.924 1.00 0.00 O ATOM 763 CB ASP A 49 -1.815 -6.867 -2.861 1.00 0.00 C ATOM 764 CG ASP A 49 -2.396 -8.095 -2.189 1.00 0.00 C ATOM 765 OD1 ASP A 49 -3.604 -8.354 -2.370 1.00 0.00 O ATOM 766 OD2 ASP A 49 -1.643 -8.797 -1.481 1.00 0.00 O ATOM 0 H ASP A 49 -0.500 -5.320 -4.308 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.142 -7.906 -4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.820 -6.674 -2.461 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.429 -6.000 -2.620 1.00 0.00 H new ATOM 771 N GLY A 50 -3.390 -8.372 -5.517 1.00 0.00 N ATOM 772 CA GLY A 50 -4.688 -8.643 -6.106 1.00 0.00 C ATOM 773 C GLY A 50 -4.704 -8.416 -7.605 1.00 0.00 C ATOM 774 O GLY A 50 -5.154 -9.274 -8.364 1.00 0.00 O ATOM 0 H GLY A 50 -2.728 -9.146 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.971 -9.674 -5.895 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.437 -8.005 -5.637 1.00 0.00 H new ATOM 778 N TRP A 51 -4.213 -7.258 -8.031 1.00 0.00 N ATOM 779 CA TRP A 51 -4.175 -6.920 -9.449 1.00 0.00 C ATOM 780 C TRP A 51 -3.344 -7.934 -10.228 1.00 0.00 C ATOM 781 O TRP A 51 -2.329 -8.426 -9.737 1.00 0.00 O ATOM 782 CB TRP A 51 -3.601 -5.516 -9.645 1.00 0.00 C ATOM 783 CG TRP A 51 -4.499 -4.430 -9.133 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.973 -4.291 -7.860 1.00 0.00 C ATOM 785 CD2 TRP A 51 -5.033 -3.335 -9.884 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.769 -3.174 -7.774 1.00 0.00 N ATOM 787 CE2 TRP A 51 -5.821 -2.570 -9.002 1.00 0.00 C ATOM 788 CE3 TRP A 51 -4.920 -2.924 -11.215 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -6.492 -1.420 -9.410 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -5.587 -1.783 -11.619 1.00 0.00 C ATOM 791 CH2 TRP A 51 -6.364 -1.041 -10.719 1.00 0.00 C ATOM 0 H TRP A 51 -3.836 -6.538 -7.415 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.196 -6.944 -9.830 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.638 -5.451 -9.138 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.414 -5.353 -10.706 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.754 -4.960 -7.041 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.244 -2.848 -6.932 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.322 -3.488 -11.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.092 -0.848 -8.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.508 -1.458 -12.646 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.872 -0.153 -11.065 1.00 0.00 H new ATOM 802 N ASN A 52 -3.783 -8.244 -11.443 1.00 0.00 N ATOM 803 CA ASN A 52 -3.080 -9.201 -12.289 1.00 0.00 C ATOM 804 C ASN A 52 -1.581 -8.916 -12.303 1.00 0.00 C ATOM 805 O ASN A 52 -1.152 -7.786 -12.075 1.00 0.00 O ATOM 806 CB ASN A 52 -3.632 -9.155 -13.716 1.00 0.00 C ATOM 807 CG ASN A 52 -3.375 -10.441 -14.477 1.00 0.00 C ATOM 808 OD1 ASN A 52 -2.734 -11.360 -13.966 1.00 0.00 O ATOM 809 ND2 ASN A 52 -3.874 -10.512 -15.705 1.00 0.00 N ATOM 0 H ASN A 52 -4.623 -7.846 -11.864 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.239 -10.197 -11.877 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.705 -8.965 -13.682 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.177 -8.322 -14.252 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.732 -11.353 -16.265 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.399 -9.726 -16.088 1.00 0.00 H new ATOM 816 N ASN A 53 -0.790 -9.950 -12.573 1.00 0.00 N ATOM 817 CA ASN A 53 0.661 -9.811 -12.617 1.00 0.00 C ATOM 818 C ASN A 53 1.085 -8.885 -13.753 1.00 0.00 C ATOM 819 O ASN A 53 2.066 -8.151 -13.635 1.00 0.00 O ATOM 820 CB ASN A 53 1.320 -11.181 -12.787 1.00 0.00 C ATOM 821 CG ASN A 53 0.799 -11.927 -14.000 1.00 0.00 C ATOM 822 OD1 ASN A 53 1.239 -11.688 -15.125 1.00 0.00 O ATOM 823 ND2 ASN A 53 -0.143 -12.835 -13.777 1.00 0.00 N ATOM 0 H ASN A 53 -1.130 -10.893 -12.764 1.00 0.00 H new ATOM 0 HA ASN A 53 0.988 -9.372 -11.674 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.399 -11.053 -12.878 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.144 -11.779 -11.893 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.532 -13.368 -14.555 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.478 -13.000 -12.828 1.00 0.00 H new ATOM 830 N CYS A 54 0.339 -8.926 -14.851 1.00 0.00 N ATOM 831 CA CYS A 54 0.637 -8.091 -16.009 1.00 0.00 C ATOM 832 C CYS A 54 0.760 -6.625 -15.606 1.00 0.00 C ATOM 833 O CYS A 54 1.784 -5.987 -15.849 1.00 0.00 O ATOM 834 CB CYS A 54 -0.451 -8.251 -17.073 1.00 0.00 C ATOM 835 SG CYS A 54 0.021 -7.641 -18.708 1.00 0.00 S ATOM 0 H CYS A 54 -0.476 -9.528 -14.964 1.00 0.00 H new ATOM 0 HA CYS A 54 1.591 -8.416 -16.424 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.714 -9.306 -17.152 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.346 -7.723 -16.744 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.962 -7.822 -19.539 1.00 0.00 H new ATOM 841 N TYR A 55 -0.292 -6.097 -14.990 1.00 0.00 N ATOM 842 CA TYR A 55 -0.304 -4.705 -14.556 1.00 0.00 C ATOM 843 C TYR A 55 1.066 -4.287 -14.030 1.00 0.00 C ATOM 844 O TYR A 55 1.599 -3.245 -14.413 1.00 0.00 O ATOM 845 CB TYR A 55 -1.364 -4.495 -13.474 1.00 0.00 C ATOM 846 CG TYR A 55 -2.727 -4.137 -14.023 1.00 0.00 C ATOM 847 CD1 TYR A 55 -2.955 -2.902 -14.617 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.786 -5.033 -13.947 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.199 -2.570 -15.120 1.00 0.00 C ATOM 850 CE2 TYR A 55 -5.032 -4.710 -14.448 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.234 -3.477 -15.033 1.00 0.00 C ATOM 852 OH TYR A 55 -6.474 -3.152 -15.532 1.00 0.00 O ATOM 0 H TYR A 55 -1.147 -6.612 -14.780 1.00 0.00 H new ATOM 0 HA TYR A 55 -0.547 -4.084 -15.418 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.449 -5.404 -12.879 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.033 -3.704 -12.802 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.147 -2.189 -14.687 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.632 -5.999 -13.488 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.359 -1.605 -15.579 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.844 -5.419 -14.382 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.090 -3.901 -15.392 1.00 0.00 H new ATOM 862 N ASP A 56 1.630 -5.107 -13.150 1.00 0.00 N ATOM 863 CA ASP A 56 2.938 -4.824 -12.571 1.00 0.00 C ATOM 864 C ASP A 56 3.850 -4.150 -13.591 1.00 0.00 C ATOM 865 O ASP A 56 3.734 -4.387 -14.794 1.00 0.00 O ATOM 866 CB ASP A 56 3.584 -6.115 -12.064 1.00 0.00 C ATOM 867 CG ASP A 56 2.611 -6.986 -11.295 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.444 -6.573 -11.133 1.00 0.00 O ATOM 869 OD2 ASP A 56 3.017 -8.082 -10.855 1.00 0.00 O ATOM 0 H ASP A 56 1.202 -5.973 -12.822 1.00 0.00 H new ATOM 0 HA ASP A 56 2.797 -4.143 -11.732 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.979 -6.677 -12.910 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.430 -5.867 -11.423 1.00 0.00 H new ATOM 874 N TYR A 57 4.755 -3.309 -13.104 1.00 0.00 N ATOM 875 CA TYR A 57 5.684 -2.598 -13.973 1.00 0.00 C ATOM 876 C TYR A 57 6.933 -2.174 -13.206 1.00 0.00 C ATOM 877 O TYR A 57 6.890 -1.970 -11.993 1.00 0.00 O ATOM 878 CB TYR A 57 5.006 -1.370 -14.584 1.00 0.00 C ATOM 879 CG TYR A 57 4.199 -0.567 -13.589 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.824 0.180 -12.599 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.810 -0.555 -13.641 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.090 0.915 -11.688 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.068 0.178 -12.735 1.00 0.00 C ATOM 884 CZ TYR A 57 2.713 0.911 -11.760 1.00 0.00 C ATOM 885 OH TYR A 57 1.978 1.642 -10.855 1.00 0.00 O ATOM 0 H TYR A 57 4.865 -3.103 -12.111 1.00 0.00 H new ATOM 0 HA TYR A 57 5.984 -3.275 -14.773 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.767 -0.727 -15.025 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.352 -1.692 -15.394 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.902 0.186 -12.540 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.302 -1.128 -14.402 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.592 1.490 -10.924 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.989 0.177 -12.790 1.00 0.00 H new ATOM 0 HH TYR A 57 1.664 1.053 -10.137 1.00 0.00 H new ATOM 895 N TRP A 58 8.044 -2.045 -13.922 1.00 0.00 N ATOM 896 CA TRP A 58 9.305 -1.644 -13.310 1.00 0.00 C ATOM 897 C TRP A 58 9.347 -0.137 -13.084 1.00 0.00 C ATOM 898 O TRP A 58 9.522 0.636 -14.027 1.00 0.00 O ATOM 899 CB TRP A 58 10.481 -2.074 -14.188 1.00 0.00 C ATOM 900 CG TRP A 58 10.919 -3.487 -13.945 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.745 -4.554 -14.779 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.603 -3.985 -12.790 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.278 -5.686 -14.212 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.812 -5.364 -12.992 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.061 -3.401 -11.606 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.457 -6.164 -12.053 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.701 -4.197 -10.675 1.00 0.00 C ATOM 908 CH2 TRP A 58 12.895 -5.566 -10.903 1.00 0.00 C ATOM 0 H TRP A 58 8.097 -2.212 -14.927 1.00 0.00 H new ATOM 0 HA TRP A 58 9.383 -2.139 -12.342 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.202 -1.963 -15.236 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.322 -1.405 -14.009 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.260 -4.514 -15.743 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.276 -6.616 -14.631 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.917 -2.347 -11.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.606 -7.220 -12.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.058 -3.756 -9.756 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.400 -6.161 -10.156 1.00 0.00 H new ATOM 919 N ILE A 59 9.187 0.274 -11.831 1.00 0.00 N ATOM 920 CA ILE A 59 9.209 1.689 -11.484 1.00 0.00 C ATOM 921 C ILE A 59 10.486 2.052 -10.733 1.00 0.00 C ATOM 922 O ILE A 59 10.957 1.293 -9.887 1.00 0.00 O ATOM 923 CB ILE A 59 7.992 2.076 -10.621 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.794 3.593 -10.631 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.170 1.569 -9.198 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.464 4.032 -10.059 1.00 0.00 C ATOM 0 H ILE A 59 9.041 -0.353 -11.040 1.00 0.00 H new ATOM 0 HA ILE A 59 9.172 2.244 -12.421 1.00 0.00 H new ATOM 0 HB ILE A 59 7.102 1.610 -11.044 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.597 4.060 -10.061 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.877 3.956 -11.656 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.303 1.850 -8.601 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.268 0.483 -9.208 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.068 2.010 -8.764 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.392 5.119 -10.098 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.654 3.594 -10.643 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.386 3.700 -9.024 1.00 0.00 H new ATOM 938 N ASP A 60 11.039 3.218 -11.048 1.00 0.00 N ATOM 939 CA ASP A 60 12.260 3.684 -10.401 1.00 0.00 C ATOM 940 C ASP A 60 12.027 3.932 -8.914 1.00 0.00 C ATOM 941 O ASP A 60 11.174 4.734 -8.535 1.00 0.00 O ATOM 942 CB ASP A 60 12.762 4.964 -11.072 1.00 0.00 C ATOM 943 CG ASP A 60 13.192 4.734 -12.508 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.388 4.181 -13.286 1.00 0.00 O ATOM 945 OD2 ASP A 60 14.333 5.107 -12.852 1.00 0.00 O ATOM 0 H ASP A 60 10.661 3.858 -11.747 1.00 0.00 H new ATOM 0 HA ASP A 60 13.017 2.907 -10.507 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.974 5.717 -11.048 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.602 5.363 -10.504 1.00 0.00 H new ATOM 950 N ALA A 61 12.791 3.238 -8.077 1.00 0.00 N ATOM 951 CA ALA A 61 12.668 3.384 -6.632 1.00 0.00 C ATOM 952 C ALA A 61 12.875 4.834 -6.207 1.00 0.00 C ATOM 953 O ALA A 61 12.492 5.228 -5.105 1.00 0.00 O ATOM 954 CB ALA A 61 13.664 2.477 -5.923 1.00 0.00 C ATOM 0 H ALA A 61 13.501 2.569 -8.375 1.00 0.00 H new ATOM 0 HA ALA A 61 11.658 3.090 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.561 2.596 -4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.468 1.439 -6.194 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.677 2.745 -6.223 1.00 0.00 H new ATOM 960 N ASP A 62 13.482 5.622 -7.087 1.00 0.00 N ATOM 961 CA ASP A 62 13.740 7.029 -6.802 1.00 0.00 C ATOM 962 C ASP A 62 12.633 7.910 -7.374 1.00 0.00 C ATOM 963 O ASP A 62 12.536 9.093 -7.046 1.00 0.00 O ATOM 964 CB ASP A 62 15.093 7.449 -7.380 1.00 0.00 C ATOM 965 CG ASP A 62 16.258 6.826 -6.636 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.155 6.663 -5.403 1.00 0.00 O ATOM 967 OD2 ASP A 62 17.273 6.501 -7.288 1.00 0.00 O ATOM 0 H ASP A 62 13.805 5.311 -8.003 1.00 0.00 H new ATOM 0 HA ASP A 62 13.761 7.158 -5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.141 7.162 -8.430 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.180 8.535 -7.342 1.00 0.00 H new ATOM 972 N SER A 63 11.803 7.326 -8.232 1.00 0.00 N ATOM 973 CA SER A 63 10.706 8.059 -8.853 1.00 0.00 C ATOM 974 C SER A 63 9.917 8.845 -7.809 1.00 0.00 C ATOM 975 O SER A 63 9.600 8.346 -6.729 1.00 0.00 O ATOM 976 CB SER A 63 9.776 7.097 -9.593 1.00 0.00 C ATOM 977 OG SER A 63 9.047 7.769 -10.606 1.00 0.00 O ATOM 0 H SER A 63 11.869 6.348 -8.513 1.00 0.00 H new ATOM 0 HA SER A 63 11.132 8.763 -9.568 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.360 6.290 -10.036 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.084 6.639 -8.886 1.00 0.00 H new ATOM 0 HG SER A 63 8.103 7.822 -10.349 1.00 0.00 H new ATOM 983 N PRO A 64 9.593 10.104 -8.138 1.00 0.00 N ATOM 984 CA PRO A 64 8.837 10.986 -7.244 1.00 0.00 C ATOM 985 C PRO A 64 7.385 10.548 -7.090 1.00 0.00 C ATOM 986 O PRO A 64 6.666 11.045 -6.222 1.00 0.00 O ATOM 987 CB PRO A 64 8.914 12.347 -7.940 1.00 0.00 C ATOM 988 CG PRO A 64 9.121 12.025 -9.380 1.00 0.00 C ATOM 989 CD PRO A 64 9.939 10.764 -9.409 1.00 0.00 C ATOM 0 HA PRO A 64 9.243 10.986 -6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.999 12.921 -7.790 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.735 12.947 -7.547 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.168 11.883 -9.889 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.638 12.837 -9.891 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.687 10.141 -10.267 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.006 10.978 -9.473 1.00 0.00 H new ATOM 997 N ASP A 65 6.959 9.617 -7.936 1.00 0.00 N ATOM 998 CA ASP A 65 5.592 9.111 -7.892 1.00 0.00 C ATOM 999 C ASP A 65 5.441 8.046 -6.810 1.00 0.00 C ATOM 1000 O ASP A 65 4.349 7.833 -6.284 1.00 0.00 O ATOM 1001 CB ASP A 65 5.195 8.534 -9.252 1.00 0.00 C ATOM 1002 CG ASP A 65 5.836 9.280 -10.406 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.703 10.520 -10.458 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.471 8.622 -11.257 1.00 0.00 O ATOM 0 H ASP A 65 7.541 9.197 -8.661 1.00 0.00 H new ATOM 0 HA ASP A 65 4.930 9.943 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.484 7.484 -9.296 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.111 8.571 -9.357 1.00 0.00 H new ATOM 1009 N ILE A 66 6.544 7.380 -6.485 1.00 0.00 N ATOM 1010 CA ILE A 66 6.534 6.337 -5.466 1.00 0.00 C ATOM 1011 C ILE A 66 6.444 6.937 -4.067 1.00 0.00 C ATOM 1012 O ILE A 66 7.209 7.836 -3.715 1.00 0.00 O ATOM 1013 CB ILE A 66 7.791 5.452 -5.554 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.788 4.652 -6.858 1.00 0.00 C ATOM 1015 CG2 ILE A 66 7.866 4.519 -4.354 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.053 3.854 -7.080 1.00 0.00 C ATOM 0 H ILE A 66 7.456 7.544 -6.912 1.00 0.00 H new ATOM 0 HA ILE A 66 5.654 5.722 -5.652 1.00 0.00 H new ATOM 0 HB ILE A 66 8.671 6.095 -5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.935 3.973 -6.856 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.648 5.337 -7.695 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.760 3.900 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.909 5.108 -3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 66 6.983 3.881 -4.334 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.981 3.312 -8.023 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.908 4.529 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.184 3.144 -6.263 1.00 0.00 H new ATOM 1028 N HIS A 67 5.506 6.432 -3.272 1.00 0.00 N ATOM 1029 CA HIS A 67 5.318 6.916 -1.909 1.00 0.00 C ATOM 1030 C HIS A 67 5.294 5.756 -0.918 1.00 0.00 C ATOM 1031 O HIS A 67 4.748 4.687 -1.191 1.00 0.00 O ATOM 1032 CB HIS A 67 4.021 7.719 -1.804 1.00 0.00 C ATOM 1033 CG HIS A 67 3.998 8.938 -2.674 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.863 9.998 -2.506 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.210 9.260 -3.726 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.607 10.921 -3.415 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.608 10.498 -4.169 1.00 0.00 N ATOM 0 H HIS A 67 4.865 5.688 -3.548 1.00 0.00 H new ATOM 0 HA HIS A 67 6.159 7.564 -1.662 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.183 7.076 -2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.873 8.020 -0.767 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.416 8.656 -4.140 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.126 11.862 -3.524 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.199 11.007 -4.952 1.00 0.00 H new ATOM 1046 N PRO A 68 5.900 5.969 0.259 1.00 0.00 N ATOM 1047 CA PRO A 68 5.962 4.952 1.313 1.00 0.00 C ATOM 1048 C PRO A 68 4.600 4.694 1.950 1.00 0.00 C ATOM 1049 O PRO A 68 3.665 5.476 1.778 1.00 0.00 O ATOM 1050 CB PRO A 68 6.923 5.560 2.337 1.00 0.00 C ATOM 1051 CG PRO A 68 6.824 7.031 2.123 1.00 0.00 C ATOM 1052 CD PRO A 68 6.571 7.219 0.652 1.00 0.00 C ATOM 0 HA PRO A 68 6.284 3.985 0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.641 5.288 3.354 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.942 5.205 2.183 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.015 7.458 2.716 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.742 7.533 2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.944 8.089 0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.499 7.367 0.100 1.00 0.00 H new ATOM 1060 N VAL A 69 4.495 3.591 2.685 1.00 0.00 N ATOM 1061 CA VAL A 69 3.248 3.231 3.348 1.00 0.00 C ATOM 1062 C VAL A 69 2.880 4.251 4.419 1.00 0.00 C ATOM 1063 O VAL A 69 3.423 4.232 5.523 1.00 0.00 O ATOM 1064 CB VAL A 69 3.339 1.835 3.994 1.00 0.00 C ATOM 1065 CG1 VAL A 69 2.243 1.655 5.034 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.261 0.750 2.931 1.00 0.00 C ATOM 0 H VAL A 69 5.259 2.932 2.836 1.00 0.00 H new ATOM 0 HA VAL A 69 2.474 3.219 2.581 1.00 0.00 H new ATOM 0 HB VAL A 69 4.302 1.749 4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.323 0.663 5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.351 2.412 5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.268 1.761 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.327 -0.229 3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.314 0.832 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.086 0.869 2.228 1.00 0.00 H new ATOM 1076 N GLY A 70 1.952 5.143 4.085 1.00 0.00 N ATOM 1077 CA GLY A 70 1.526 6.160 5.029 1.00 0.00 C ATOM 1078 C GLY A 70 1.650 7.562 4.466 1.00 0.00 C ATOM 1079 O GLY A 70 1.594 8.543 5.208 1.00 0.00 O ATOM 0 H GLY A 70 1.488 5.179 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.490 5.976 5.313 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.124 6.082 5.937 1.00 0.00 H new ATOM 1083 N TRP A 71 1.821 7.657 3.153 1.00 0.00 N ATOM 1084 CA TRP A 71 1.955 8.950 2.492 1.00 0.00 C ATOM 1085 C TRP A 71 0.598 9.632 2.349 1.00 0.00 C ATOM 1086 O TRP A 71 0.520 10.817 2.022 1.00 0.00 O ATOM 1087 CB TRP A 71 2.600 8.778 1.115 1.00 0.00 C ATOM 1088 CG TRP A 71 2.351 9.933 0.194 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.256 10.878 -0.199 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.116 10.267 -0.448 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.657 11.779 -1.046 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.345 11.425 -1.216 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.161 9.699 -0.451 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.344 12.024 -1.976 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.154 10.294 -1.206 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.897 11.447 -1.961 1.00 0.00 C ATOM 0 H TRP A 71 1.870 6.855 2.525 1.00 0.00 H new ATOM 0 HA TRP A 71 2.595 9.581 3.109 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.675 8.647 1.239 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.219 7.867 0.654 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.290 10.912 0.111 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.115 12.581 -1.478 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.368 8.810 0.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.540 12.913 -2.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.144 9.864 -1.215 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.693 11.888 -2.542 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.467 8.878 2.597 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.821 9.410 2.496 1.00 0.00 C ATOM 1109 C CYS A 72 -2.065 10.481 3.555 1.00 0.00 C ATOM 1110 O CYS A 72 -2.857 11.401 3.351 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.846 8.285 2.644 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.720 7.373 4.200 1.00 0.00 S ATOM 0 H CYS A 72 -0.419 7.896 2.869 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.933 9.866 1.512 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.848 8.707 2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.726 7.587 1.815 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.629 6.444 4.233 1.00 0.00 H new ATOM 1118 N SER A 73 -1.380 10.353 4.687 1.00 0.00 N ATOM 1119 CA SER A 73 -1.526 11.306 5.781 1.00 0.00 C ATOM 1120 C SER A 73 -0.701 12.562 5.521 1.00 0.00 C ATOM 1121 O SER A 73 -1.208 13.681 5.602 1.00 0.00 O ATOM 1122 CB SER A 73 -1.100 10.666 7.103 1.00 0.00 C ATOM 1123 OG SER A 73 -1.936 9.570 7.433 1.00 0.00 O ATOM 0 H SER A 73 -0.718 9.599 4.870 1.00 0.00 H new ATOM 0 HA SER A 73 -2.576 11.590 5.845 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.066 10.329 7.031 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.139 11.409 7.899 1.00 0.00 H new ATOM 0 HG SER A 73 -1.641 9.178 8.281 1.00 0.00 H new ATOM 1129 N LYS A 74 0.576 12.369 5.208 1.00 0.00 N ATOM 1130 CA LYS A 74 1.475 13.484 4.934 1.00 0.00 C ATOM 1131 C LYS A 74 0.735 14.619 4.234 1.00 0.00 C ATOM 1132 O LYS A 74 0.559 15.700 4.797 1.00 0.00 O ATOM 1133 CB LYS A 74 2.650 13.019 4.072 1.00 0.00 C ATOM 1134 CG LYS A 74 3.625 12.116 4.808 1.00 0.00 C ATOM 1135 CD LYS A 74 4.791 11.714 3.921 1.00 0.00 C ATOM 1136 CE LYS A 74 5.687 12.902 3.605 1.00 0.00 C ATOM 1137 NZ LYS A 74 7.086 12.481 3.315 1.00 0.00 N ATOM 0 H LYS A 74 1.012 11.450 5.138 1.00 0.00 H new ATOM 0 HA LYS A 74 1.856 13.854 5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.264 12.489 3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.186 13.893 3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.000 12.629 5.693 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.105 11.223 5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.375 10.938 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.413 11.285 2.993 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.285 13.442 2.748 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.683 13.594 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.664 13.319 3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.479 11.988 4.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.093 11.841 2.495 1.00 0.00 H new ATOM 1151 N THR A 75 0.302 14.367 3.002 1.00 0.00 N ATOM 1152 CA THR A 75 -0.419 15.368 2.226 1.00 0.00 C ATOM 1153 C THR A 75 -1.893 15.406 2.612 1.00 0.00 C ATOM 1154 O THR A 75 -2.469 16.477 2.797 1.00 0.00 O ATOM 1155 CB THR A 75 -0.303 15.096 0.714 1.00 0.00 C ATOM 1156 OG1 THR A 75 -1.046 13.922 0.368 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.152 14.920 0.306 1.00 0.00 C ATOM 0 H THR A 75 0.438 13.478 2.521 1.00 0.00 H new ATOM 0 HA THR A 75 0.037 16.332 2.451 1.00 0.00 H new ATOM 0 HB THR A 75 -0.712 15.954 0.181 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.567 13.425 -0.327 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.209 14.729 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.709 15.827 0.543 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.583 14.078 0.848 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.499 14.229 2.733 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.902 14.150 3.097 1.00 0.00 C ATOM 1167 C GLY A 76 -4.768 13.643 1.961 1.00 0.00 C ATOM 1168 O GLY A 76 -5.916 14.063 1.811 1.00 0.00 O ATOM 0 H GLY A 76 -2.043 13.328 2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.014 13.491 3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.251 15.136 3.403 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.218 12.738 1.158 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.949 12.174 0.028 1.00 0.00 C ATOM 1174 C HIS A 77 -5.559 10.825 0.396 1.00 0.00 C ATOM 1175 O HIS A 77 -4.976 10.033 1.137 1.00 0.00 O ATOM 1176 CB HIS A 77 -4.022 12.016 -1.178 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.960 13.232 -2.049 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -3.732 14.500 -1.556 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -4.096 13.370 -3.388 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.732 15.365 -2.554 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.950 14.705 -3.677 1.00 0.00 N ATOM 0 H HIS A 77 -3.269 12.379 1.268 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.756 12.860 -0.231 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -3.018 11.780 -0.826 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.358 11.168 -1.775 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.284 12.578 -4.098 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.580 16.431 -2.467 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -4.002 15.119 -4.608 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.762 10.555 -0.133 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.478 9.302 0.126 1.00 0.00 C ATOM 1192 C PRO A 78 -6.809 8.104 -0.538 1.00 0.00 C ATOM 1193 O PRO A 78 -6.444 8.157 -1.714 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.859 9.550 -0.485 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.629 10.580 -1.536 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.516 11.452 -1.024 1.00 0.00 C ATOM 0 HA PRO A 78 -7.504 9.060 1.188 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.274 8.636 -0.910 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.567 9.902 0.266 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.357 10.116 -2.484 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.532 11.164 -1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.894 11.828 -1.836 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.900 12.320 -0.489 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.650 7.025 0.220 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.025 5.812 -0.296 1.00 0.00 C ATOM 1206 C LEU A 79 -7.078 4.782 -0.691 1.00 0.00 C ATOM 1207 O LEU A 79 -8.062 4.583 0.020 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.080 5.217 0.749 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.134 4.123 0.254 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.035 4.719 -0.612 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.537 3.362 1.429 1.00 0.00 C ATOM 0 H LEU A 79 -6.945 6.965 1.194 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.453 6.078 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.481 6.025 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.680 4.809 1.562 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.706 3.422 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.371 3.925 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.480 5.217 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.465 5.442 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.866 2.587 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.980 4.051 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.337 2.902 2.009 1.00 0.00 H new ATOM 1223 N GLN A 80 -6.862 4.129 -1.829 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.793 3.118 -2.317 1.00 0.00 C ATOM 1225 C GLN A 80 -7.270 1.714 -2.033 1.00 0.00 C ATOM 1226 O GLN A 80 -6.154 1.354 -2.407 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.028 3.294 -3.818 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.677 4.619 -4.182 1.00 0.00 C ATOM 1229 CD GLN A 80 -10.076 4.759 -3.614 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -11.067 4.581 -4.322 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.164 5.079 -2.328 1.00 0.00 N ATOM 0 H GLN A 80 -6.052 4.282 -2.429 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.739 3.246 -1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.074 3.211 -4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.658 2.480 -4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.056 5.436 -3.815 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.718 4.713 -5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.316 5.217 -1.778 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.079 5.186 -1.891 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.093 0.901 -1.354 1.00 0.00 N ATOM 1241 CA PRO A 81 -7.734 -0.476 -1.005 1.00 0.00 C ATOM 1242 C PRO A 81 -7.681 -1.389 -2.225 1.00 0.00 C ATOM 1243 O PRO A 81 -8.401 -1.198 -3.205 1.00 0.00 O ATOM 1244 CB PRO A 81 -8.862 -0.908 -0.064 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.020 -0.052 -0.442 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.438 1.264 -0.876 1.00 0.00 C ATOM 0 HA PRO A 81 -6.741 -0.538 -0.560 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.095 -1.966 -0.185 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.585 -0.761 0.980 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.596 -0.508 -1.247 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.699 0.080 0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.033 1.726 -1.663 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.393 1.975 -0.051 1.00 0.00 H new ATOM 1254 N PRO A 82 -6.808 -2.405 -2.167 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.640 -3.368 -3.260 1.00 0.00 C ATOM 1256 C PRO A 82 -7.848 -4.286 -3.414 1.00 0.00 C ATOM 1257 O PRO A 82 -8.860 -4.118 -2.732 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.408 -4.173 -2.838 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.370 -4.056 -1.353 1.00 0.00 C ATOM 1260 CD PRO A 82 -5.917 -2.694 -1.030 1.00 0.00 C ATOM 0 HA PRO A 82 -6.533 -2.874 -4.226 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.489 -5.214 -3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.500 -3.774 -3.290 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.968 -4.838 -0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.352 -4.166 -0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.459 -2.693 -0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.123 -1.952 -0.943 1.00 0.00 H new ATOM 1268 N LEU A 83 -7.737 -5.257 -4.314 1.00 0.00 N ATOM 1269 CA LEU A 83 -8.820 -6.202 -4.558 1.00 0.00 C ATOM 1270 C LEU A 83 -9.236 -6.899 -3.266 1.00 0.00 C ATOM 1271 O LEU A 83 -8.505 -6.881 -2.276 1.00 0.00 O ATOM 1272 CB LEU A 83 -8.393 -7.241 -5.596 1.00 0.00 C ATOM 1273 CG LEU A 83 -8.678 -6.887 -7.056 1.00 0.00 C ATOM 1274 CD1 LEU A 83 -10.176 -6.794 -7.301 1.00 0.00 C ATOM 1275 CD2 LEU A 83 -7.992 -5.581 -7.432 1.00 0.00 C ATOM 0 H LEU A 83 -6.907 -5.410 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.675 -5.645 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.322 -7.415 -5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.894 -8.182 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.276 -7.680 -7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.359 -6.541 -8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -10.642 -7.752 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.602 -6.022 -6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.206 -5.345 -8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.363 -4.778 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -6.915 -5.683 -7.297 1.00 0.00 H new ATOM 1287 N SER A 84 -10.415 -7.513 -3.284 1.00 0.00 N ATOM 1288 CA SER A 84 -10.929 -8.215 -2.114 1.00 0.00 C ATOM 1289 C SER A 84 -9.909 -9.223 -1.593 1.00 0.00 C ATOM 1290 O SER A 84 -9.009 -9.660 -2.310 1.00 0.00 O ATOM 1291 CB SER A 84 -12.239 -8.927 -2.454 1.00 0.00 C ATOM 1292 OG SER A 84 -13.342 -8.043 -2.351 1.00 0.00 O ATOM 0 H SER A 84 -11.032 -7.538 -4.096 1.00 0.00 H new ATOM 0 HA SER A 84 -11.117 -7.478 -1.333 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.185 -9.330 -3.465 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.382 -9.772 -1.781 1.00 0.00 H new ATOM 0 HG SER A 84 -14.167 -8.522 -2.575 1.00 0.00 H new ATOM 1298 N PRO A 85 -10.052 -9.602 -0.315 1.00 0.00 N ATOM 1299 CA PRO A 85 -9.154 -10.564 0.331 1.00 0.00 C ATOM 1300 C PRO A 85 -9.332 -11.978 -0.210 1.00 0.00 C ATOM 1301 O PRO A 85 -8.669 -12.914 0.239 1.00 0.00 O ATOM 1302 CB PRO A 85 -9.565 -10.499 1.804 1.00 0.00 C ATOM 1303 CG PRO A 85 -10.983 -10.042 1.782 1.00 0.00 C ATOM 1304 CD PRO A 85 -11.103 -9.122 0.599 1.00 0.00 C ATOM 0 HA PRO A 85 -8.105 -10.323 0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -9.470 -11.473 2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -8.934 -9.806 2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -11.664 -10.888 1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -11.241 -9.525 2.706 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -12.091 -9.182 0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.945 -8.081 0.882 1.00 0.00 H new ATOM 1312 N LEU A 86 -10.230 -12.127 -1.177 1.00 0.00 N ATOM 1313 CA LEU A 86 -10.496 -13.429 -1.781 1.00 0.00 C ATOM 1314 C LEU A 86 -9.993 -13.474 -3.220 1.00 0.00 C ATOM 1315 O LEU A 86 -9.472 -14.492 -3.674 1.00 0.00 O ATOM 1316 CB LEU A 86 -11.994 -13.735 -1.742 1.00 0.00 C ATOM 1317 CG LEU A 86 -12.929 -12.531 -1.866 1.00 0.00 C ATOM 1318 CD1 LEU A 86 -14.242 -12.940 -2.514 1.00 0.00 C ATOM 1319 CD2 LEU A 86 -13.177 -11.906 -0.501 1.00 0.00 C ATOM 0 H LEU A 86 -10.787 -11.363 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 86 -9.962 -14.185 -1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.223 -14.432 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.216 -14.247 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.450 -11.787 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -14.895 -12.071 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -14.047 -13.340 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.727 -13.703 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -13.844 -11.051 -0.608 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -13.635 -12.643 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.230 -11.576 -0.074 1.00 0.00 H new ATOM 1331 N GLU A 87 -10.151 -12.362 -3.932 1.00 0.00 N ATOM 1332 CA GLU A 87 -9.712 -12.275 -5.320 1.00 0.00 C ATOM 1333 C GLU A 87 -8.286 -12.798 -5.473 1.00 0.00 C ATOM 1334 O GLU A 87 -7.994 -13.583 -6.377 1.00 0.00 O ATOM 1335 CB GLU A 87 -9.792 -10.829 -5.814 1.00 0.00 C ATOM 1336 CG GLU A 87 -11.207 -10.367 -6.116 1.00 0.00 C ATOM 1337 CD GLU A 87 -11.723 -10.894 -7.441 1.00 0.00 C ATOM 1338 OE1 GLU A 87 -11.427 -10.271 -8.482 1.00 0.00 O ATOM 1339 OE2 GLU A 87 -12.423 -11.928 -7.437 1.00 0.00 O ATOM 0 H GLU A 87 -10.579 -11.510 -3.571 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.375 -12.895 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.357 -10.172 -5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.186 -10.727 -6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.871 -10.695 -5.316 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.235 -9.277 -6.127 1.00 0.00 H new ATOM 1346 N LEU A 88 -7.403 -12.358 -4.584 1.00 0.00 N ATOM 1347 CA LEU A 88 -6.007 -12.781 -4.619 1.00 0.00 C ATOM 1348 C LEU A 88 -5.896 -14.301 -4.561 1.00 0.00 C ATOM 1349 O LEU A 88 -5.074 -14.900 -5.253 1.00 0.00 O ATOM 1350 CB LEU A 88 -5.235 -12.157 -3.455 1.00 0.00 C ATOM 1351 CG LEU A 88 -5.602 -12.664 -2.059 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -4.491 -12.350 -1.069 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -6.917 -12.053 -1.599 1.00 0.00 C ATOM 0 H LEU A 88 -7.628 -11.709 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.574 -12.440 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.171 -12.332 -3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.388 -11.078 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.724 -13.746 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.769 -12.718 -0.081 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.569 -12.835 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.337 -11.272 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.163 -12.425 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.823 -10.968 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -7.709 -12.328 -2.295 1.00 0.00 H new ATOM 1365 N MET A 89 -6.732 -14.919 -3.733 1.00 0.00 N ATOM 1366 CA MET A 89 -6.731 -16.370 -3.588 1.00 0.00 C ATOM 1367 C MET A 89 -7.126 -17.048 -4.896 1.00 0.00 C ATOM 1368 O MET A 89 -8.140 -16.702 -5.502 1.00 0.00 O ATOM 1369 CB MET A 89 -7.687 -16.793 -2.471 1.00 0.00 C ATOM 1370 CG MET A 89 -7.263 -16.312 -1.093 1.00 0.00 C ATOM 1371 SD MET A 89 -8.653 -16.147 0.043 1.00 0.00 S ATOM 1372 CE MET A 89 -9.685 -17.513 -0.484 1.00 0.00 C ATOM 0 H MET A 89 -7.419 -14.438 -3.152 1.00 0.00 H new ATOM 0 HA MET A 89 -5.720 -16.683 -3.329 1.00 0.00 H new ATOM 0 HB2 MET A 89 -8.683 -16.408 -2.691 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.761 -17.880 -2.460 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.539 -17.011 -0.675 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.760 -15.350 -1.187 1.00 0.00 H new ATOM 0 HE1 MET A 89 -10.395 -17.758 0.306 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.228 -17.232 -1.386 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.060 -18.382 -0.693 1.00 0.00 H new ATOM 1382 N GLU A 90 -6.319 -18.013 -5.325 1.00 0.00 N ATOM 1383 CA GLU A 90 -6.586 -18.738 -6.562 1.00 0.00 C ATOM 1384 C GLU A 90 -7.292 -20.060 -6.277 1.00 0.00 C ATOM 1385 O GLU A 90 -7.116 -20.653 -5.213 1.00 0.00 O ATOM 1386 CB GLU A 90 -5.282 -18.996 -7.319 1.00 0.00 C ATOM 1387 CG GLU A 90 -5.469 -19.147 -8.820 1.00 0.00 C ATOM 1388 CD GLU A 90 -5.776 -17.830 -9.505 1.00 0.00 C ATOM 1389 OE1 GLU A 90 -6.413 -16.964 -8.870 1.00 0.00 O ATOM 1390 OE2 GLU A 90 -5.379 -17.666 -10.678 1.00 0.00 O ATOM 0 H GLU A 90 -5.476 -18.311 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.241 -18.123 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.592 -18.174 -7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.817 -19.900 -6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.566 -19.576 -9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.280 -19.850 -9.012 1.00 0.00 H new ATOM 1397 N ALA A 91 -8.091 -20.517 -7.236 1.00 0.00 N ATOM 1398 CA ALA A 91 -8.822 -21.769 -7.089 1.00 0.00 C ATOM 1399 C ALA A 91 -8.098 -22.913 -7.792 1.00 0.00 C ATOM 1400 O ALA A 91 -7.961 -22.915 -9.015 1.00 0.00 O ATOM 1401 CB ALA A 91 -10.235 -21.623 -7.634 1.00 0.00 C ATOM 0 H ALA A 91 -8.248 -20.038 -8.123 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.877 -22.006 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.769 -22.566 -7.518 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.758 -20.840 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.192 -21.359 -8.691 1.00 0.00 H new ATOM 1407 N SER A 92 -7.636 -23.884 -7.010 1.00 0.00 N ATOM 1408 CA SER A 92 -6.922 -25.031 -7.557 1.00 0.00 C ATOM 1409 C SER A 92 -6.779 -26.132 -6.511 1.00 0.00 C ATOM 1410 O SER A 92 -6.909 -25.884 -5.313 1.00 0.00 O ATOM 1411 CB SER A 92 -5.540 -24.607 -8.059 1.00 0.00 C ATOM 1412 OG SER A 92 -4.692 -24.255 -6.980 1.00 0.00 O ATOM 0 H SER A 92 -7.744 -23.899 -5.996 1.00 0.00 H new ATOM 0 HA SER A 92 -7.501 -25.422 -8.394 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.091 -25.421 -8.628 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.640 -23.760 -8.738 1.00 0.00 H new ATOM 0 HG SER A 92 -3.815 -23.990 -7.327 1.00 0.00 H new ATOM 1418 N GLU A 93 -6.512 -27.349 -6.974 1.00 0.00 N ATOM 1419 CA GLU A 93 -6.353 -28.489 -6.078 1.00 0.00 C ATOM 1420 C GLU A 93 -4.936 -28.543 -5.513 1.00 0.00 C ATOM 1421 O GLU A 93 -3.971 -28.192 -6.193 1.00 0.00 O ATOM 1422 CB GLU A 93 -6.671 -29.792 -6.814 1.00 0.00 C ATOM 1423 CG GLU A 93 -6.948 -30.963 -5.886 1.00 0.00 C ATOM 1424 CD GLU A 93 -8.343 -30.920 -5.292 1.00 0.00 C ATOM 1425 OE1 GLU A 93 -9.319 -30.924 -6.070 1.00 0.00 O ATOM 1426 OE2 GLU A 93 -8.457 -30.882 -4.049 1.00 0.00 O ATOM 0 H GLU A 93 -6.401 -27.571 -7.963 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.051 -28.368 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.538 -29.635 -7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.834 -30.045 -7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.820 -31.895 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.214 -30.965 -5.080 1.00 0.00 H new ATOM 1433 N HIS A 94 -4.820 -28.986 -4.265 1.00 0.00 N ATOM 1434 CA HIS A 94 -3.522 -29.087 -3.608 1.00 0.00 C ATOM 1435 C HIS A 94 -3.100 -30.545 -3.459 1.00 0.00 C ATOM 1436 O HIS A 94 -2.042 -30.949 -3.941 1.00 0.00 O ATOM 1437 CB HIS A 94 -3.567 -28.414 -2.236 1.00 0.00 C ATOM 1438 CG HIS A 94 -2.564 -28.961 -1.267 1.00 0.00 C ATOM 1439 ND1 HIS A 94 -1.264 -28.506 -1.194 1.00 0.00 N ATOM 1440 CD2 HIS A 94 -2.677 -29.928 -0.327 1.00 0.00 C ATOM 1441 CE1 HIS A 94 -0.620 -29.172 -0.252 1.00 0.00 C ATOM 1442 NE2 HIS A 94 -1.455 -30.041 0.290 1.00 0.00 N ATOM 0 H HIS A 94 -5.609 -29.280 -3.689 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.787 -28.577 -4.231 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -3.395 -27.345 -2.359 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.566 -28.530 -1.816 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -0.863 -27.771 -1.776 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -3.563 -30.504 -0.104 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.414 -29.030 0.028 1.00 0.00 H new ATOM 1451 N GLY A 95 -3.935 -31.332 -2.788 1.00 0.00 N ATOM 1452 CA GLY A 95 -3.631 -32.737 -2.586 1.00 0.00 C ATOM 1453 C GLY A 95 -3.604 -33.120 -1.120 1.00 0.00 C ATOM 1454 O GLY A 95 -4.383 -32.601 -0.321 1.00 0.00 O ATOM 0 H GLY A 95 -4.817 -31.022 -2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.374 -33.344 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.664 -32.965 -3.036 1.00 0.00 H new ATOM 1458 N GLY A 96 -2.706 -34.034 -0.765 1.00 0.00 N ATOM 1459 CA GLY A 96 -2.599 -34.472 0.615 1.00 0.00 C ATOM 1460 C GLY A 96 -1.601 -33.651 1.408 1.00 0.00 C ATOM 1461 O GLY A 96 -0.545 -33.279 0.895 1.00 0.00 O ATOM 0 H GLY A 96 -2.051 -34.479 -1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.578 -34.407 1.091 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.302 -35.521 0.638 1.00 0.00 H new ATOM 1465 N CYS A 97 -1.937 -33.366 2.661 1.00 0.00 N ATOM 1466 CA CYS A 97 -1.063 -32.581 3.527 1.00 0.00 C ATOM 1467 C CYS A 97 -1.010 -33.177 4.930 1.00 0.00 C ATOM 1468 O CYS A 97 -1.957 -33.824 5.376 1.00 0.00 O ATOM 1469 CB CYS A 97 -1.545 -31.131 3.593 1.00 0.00 C ATOM 1470 SG CYS A 97 -0.224 -29.926 3.859 1.00 0.00 S ATOM 0 H CYS A 97 -2.807 -33.666 3.100 1.00 0.00 H new ATOM 0 HA CYS A 97 -0.058 -32.603 3.105 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -2.062 -30.889 2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -2.274 -31.038 4.398 1.00 0.00 H new ATOM 0 HG CYS A 97 -0.730 -28.729 3.898 1.00 0.00 H new ATOM 1476 N SER A 98 0.104 -32.954 5.620 1.00 0.00 N ATOM 1477 CA SER A 98 0.283 -33.473 6.971 1.00 0.00 C ATOM 1478 C SER A 98 -1.008 -33.351 7.775 1.00 0.00 C ATOM 1479 O SER A 98 -1.531 -32.254 7.971 1.00 0.00 O ATOM 1480 CB SER A 98 1.413 -32.726 7.681 1.00 0.00 C ATOM 1481 OG SER A 98 1.839 -33.426 8.837 1.00 0.00 O ATOM 0 H SER A 98 0.896 -32.418 5.266 1.00 0.00 H new ATOM 0 HA SER A 98 0.546 -34.528 6.897 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.254 -32.598 6.999 1.00 0.00 H new ATOM 0 HB3 SER A 98 1.075 -31.728 7.960 1.00 0.00 H new ATOM 0 HG SER A 98 2.563 -32.929 9.272 1.00 0.00 H new ATOM 1487 N THR A 99 -1.518 -34.488 8.239 1.00 0.00 N ATOM 1488 CA THR A 99 -2.748 -34.510 9.021 1.00 0.00 C ATOM 1489 C THR A 99 -2.572 -35.323 10.299 1.00 0.00 C ATOM 1490 O THR A 99 -1.904 -36.357 10.319 1.00 0.00 O ATOM 1491 CB THR A 99 -3.919 -35.097 8.210 1.00 0.00 C ATOM 1492 OG1 THR A 99 -5.115 -35.083 8.997 1.00 0.00 O ATOM 1493 CG2 THR A 99 -3.612 -36.521 7.770 1.00 0.00 C ATOM 0 H THR A 99 -1.098 -35.405 8.087 1.00 0.00 H new ATOM 0 HA THR A 99 -2.977 -33.476 9.279 1.00 0.00 H new ATOM 0 HB THR A 99 -4.062 -34.482 7.322 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.855 -35.456 8.474 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.453 -36.915 7.199 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.717 -36.525 7.147 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.446 -37.145 8.648 1.00 0.00 H new ATOM 1501 N PRO A 100 -3.185 -34.847 11.393 1.00 0.00 N ATOM 1502 CA PRO A 100 -3.112 -35.515 12.696 1.00 0.00 C ATOM 1503 C PRO A 100 -3.882 -36.831 12.717 1.00 0.00 C ATOM 1504 O PRO A 100 -3.964 -37.497 13.747 1.00 0.00 O ATOM 1505 CB PRO A 100 -3.753 -34.504 13.650 1.00 0.00 C ATOM 1506 CG PRO A 100 -4.661 -33.695 12.789 1.00 0.00 C ATOM 1507 CD PRO A 100 -3.998 -33.620 11.442 1.00 0.00 C ATOM 0 HA PRO A 100 -2.089 -35.781 12.961 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.304 -35.005 14.446 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.000 -33.878 14.129 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -5.644 -34.160 12.714 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.810 -32.699 13.207 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.730 -33.591 10.635 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -3.382 -32.726 11.347 1.00 0.00 H new ATOM 1515 N GLY A 101 -4.446 -37.199 11.570 1.00 0.00 N ATOM 1516 CA GLY A 101 -5.203 -38.434 11.479 1.00 0.00 C ATOM 1517 C GLY A 101 -4.625 -39.533 12.349 1.00 0.00 C ATOM 1518 O GLY A 101 -5.365 -40.286 12.982 1.00 0.00 O ATOM 0 H GLY A 101 -4.392 -36.664 10.703 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.235 -38.246 11.774 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.223 -38.769 10.442 1.00 0.00 H new ATOM 1522 N SER A 102 -3.300 -39.628 12.378 1.00 0.00 N ATOM 1523 CA SER A 102 -2.623 -40.647 13.172 1.00 0.00 C ATOM 1524 C SER A 102 -3.409 -41.954 13.161 1.00 0.00 C ATOM 1525 O SER A 102 -3.726 -42.510 14.211 1.00 0.00 O ATOM 1526 CB SER A 102 -2.438 -40.162 14.611 1.00 0.00 C ATOM 1527 OG SER A 102 -3.626 -40.334 15.364 1.00 0.00 O ATOM 0 H SER A 102 -2.673 -39.012 11.861 1.00 0.00 H new ATOM 0 HA SER A 102 -1.644 -40.828 12.728 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.623 -40.712 15.081 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.154 -39.110 14.610 1.00 0.00 H new ATOM 0 HG SER A 102 -3.822 -41.290 15.452 1.00 0.00 H new ATOM 1533 N GLY A 103 -3.721 -42.440 11.963 1.00 0.00 N ATOM 1534 CA GLY A 103 -4.467 -43.678 11.836 1.00 0.00 C ATOM 1535 C GLY A 103 -3.660 -44.888 12.263 1.00 0.00 C ATOM 1536 O GLY A 103 -4.036 -45.618 13.181 1.00 0.00 O ATOM 0 H GLY A 103 -3.470 -41.998 11.079 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -5.372 -43.617 12.441 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -4.783 -43.803 10.800 1.00 0.00 H new ATOM 1540 N PRO A 104 -2.524 -45.115 11.588 1.00 0.00 N ATOM 1541 CA PRO A 104 -1.639 -46.246 11.886 1.00 0.00 C ATOM 1542 C PRO A 104 -0.927 -46.088 13.225 1.00 0.00 C ATOM 1543 O PRO A 104 -1.166 -45.126 13.956 1.00 0.00 O ATOM 1544 CB PRO A 104 -0.629 -46.217 10.736 1.00 0.00 C ATOM 1545 CG PRO A 104 -0.617 -44.800 10.277 1.00 0.00 C ATOM 1546 CD PRO A 104 -2.015 -44.286 10.483 1.00 0.00 C ATOM 0 HA PRO A 104 -2.188 -47.184 11.966 1.00 0.00 H new ATOM 0 HB2 PRO A 104 0.359 -46.533 11.069 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -0.925 -46.891 9.932 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.103 -44.212 10.846 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.327 -44.732 9.229 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -2.020 -43.227 10.740 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -2.621 -44.399 9.584 1.00 0.00 H new ATOM 1554 N SER A 105 -0.051 -47.037 13.540 1.00 0.00 N ATOM 1555 CA SER A 105 0.693 -47.004 14.793 1.00 0.00 C ATOM 1556 C SER A 105 1.022 -45.569 15.192 1.00 0.00 C ATOM 1557 O SER A 105 1.729 -44.860 14.476 1.00 0.00 O ATOM 1558 CB SER A 105 1.983 -47.818 14.666 1.00 0.00 C ATOM 1559 OG SER A 105 1.701 -49.179 14.388 1.00 0.00 O ATOM 0 H SER A 105 0.161 -47.838 12.945 1.00 0.00 H new ATOM 0 HA SER A 105 0.068 -47.445 15.570 1.00 0.00 H new ATOM 0 HB2 SER A 105 2.603 -47.402 13.872 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.556 -47.743 15.590 1.00 0.00 H new ATOM 0 HG SER A 105 2.541 -49.678 14.310 1.00 0.00 H new ATOM 1565 N SER A 106 0.504 -45.148 16.342 1.00 0.00 N ATOM 1566 CA SER A 106 0.738 -43.796 16.836 1.00 0.00 C ATOM 1567 C SER A 106 0.228 -43.645 18.266 1.00 0.00 C ATOM 1568 O SER A 106 -0.741 -44.289 18.663 1.00 0.00 O ATOM 1569 CB SER A 106 0.054 -42.772 15.928 1.00 0.00 C ATOM 1570 OG SER A 106 -1.271 -43.168 15.621 1.00 0.00 O ATOM 0 H SER A 106 -0.080 -45.724 16.949 1.00 0.00 H new ATOM 0 HA SER A 106 1.813 -43.615 16.830 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.042 -41.798 16.417 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.626 -42.659 15.007 1.00 0.00 H new ATOM 0 HG SER A 106 -1.266 -43.737 14.823 1.00 0.00 H new ATOM 1576 N GLY A 107 0.891 -42.786 19.036 1.00 0.00 N ATOM 1577 CA GLY A 107 0.491 -42.565 20.414 1.00 0.00 C ATOM 1578 C GLY A 107 0.609 -41.111 20.825 1.00 0.00 C ATOM 1579 O GLY A 107 0.527 -40.213 19.986 1.00 0.00 O ATOM 0 H GLY A 107 1.697 -42.240 18.730 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.539 -42.895 20.547 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.109 -43.177 21.071 1.00 0.00 H new TER 1583 GLY A 107