USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 860 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 59 ASN : amide:sc= -0.959 K(o=-1.2,f=-6.6!) USER MOD Set 1.2: A 62 ASN : amide:sc= -0.27 K(o=-1.2,f=-2.8) USER MOD Set 2.1: A 6 THR OG1 : rot 88:sc= 2 USER MOD Set 2.2: A 47 SER OG : rot -134:sc= 1.07 USER MOD Set 2.3: A 49 HIS : no HD1:sc= -2.17 K(o=0.9,f=-0.75) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -146:sc= 0.587 (180deg=-0.098) USER MOD Set 3.2: A 40 TYR OH : rot -153:sc= 1.07 USER MOD Set 4.1: A 4 ASN : amide:sc= 0.713 K(o=1.4,f=-2.5) USER MOD Set 4.2: A 30 LYS NZ :NH3+ 177:sc= 0.731 (180deg=-0.091) USER MOD Set 5.1: A 16 SER OG : rot 160:sc= -0.125 USER MOD Set 5.2: A 56 GLN : amide:sc= 1.35 K(o=1.2,f=-2.9!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.963 K(o=-0.96,f=-3.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 100:sc= -0.0973 USER MOD Single : A 14 MET CE :methyl -144:sc= -0.26 (180deg=-0.926) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.336 K(o=0.34,f=-3.3!) USER MOD Single : A 24 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.52) USER MOD Single : A 25 THR OG1 : rot -19:sc= 0.632 USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 1.06 (180deg=1.06) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 170:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 26:sc= -0.628 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -23:sc= -0.511 USER MOD Single : A 74 MET CE :methyl 167:sc= -1.15 (180deg=-1.16) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0448 F(o=-0.68,f=-0.045) USER MOD Single : A 83 ASN : amide:sc= 0.83 K(o=0.83,f=-0.53) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.0823 X(o=-0.082,f=-0.16) USER MOD Single : A 94 LYS NZ :NH3+ 169:sc=-0.00132 (180deg=-0.145) USER MOD Single : A 98 LYS NZ :NH3+ -161:sc= 0.918 (180deg=0.771) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -165:sc= -0.0185 (180deg=-0.301) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 U O2' : rot -41:sc= 1.9 USER MOD Single : B 1 U O5' : rot 31:sc= 1.09 USER MOD Single : B 2 U O2' : rot 14:sc= 0.185 USER MOD Single : B 3 U O2' : rot -22:sc= 0.84 USER MOD Single : B 4 U O2' : rot 147:sc= 0.372 USER MOD Single : B 5 C O2' : rot -26:sc= 0.154 USER MOD Single : B 5 C O3' : rot 180:sc= 0.156 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.841 8.108 -5.541 1.00 0.00 N ATOM 2 CA ALA A 2 9.710 8.924 -5.064 1.00 0.00 C ATOM 3 C ALA A 2 9.996 9.497 -3.678 1.00 0.00 C ATOM 4 O ALA A 2 10.999 9.140 -3.057 1.00 0.00 O ATOM 5 CB ALA A 2 8.424 8.091 -5.054 1.00 0.00 C ATOM 0 HA ALA A 2 9.576 9.761 -5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.596 8.705 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.210 7.740 -6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.550 7.235 -4.392 1.00 0.00 H new ATOM 13 N SER A 3 9.121 10.382 -3.195 1.00 0.00 N ATOM 14 CA SER A 3 9.271 11.008 -1.887 1.00 0.00 C ATOM 15 C SER A 3 9.151 9.971 -0.773 1.00 0.00 C ATOM 16 O SER A 3 8.603 8.891 -0.975 1.00 0.00 O ATOM 17 CB SER A 3 8.212 12.097 -1.717 1.00 0.00 C ATOM 18 OG SER A 3 8.350 13.063 -2.738 1.00 0.00 O ATOM 0 H SER A 3 8.289 10.682 -3.703 1.00 0.00 H new ATOM 0 HA SER A 3 10.262 11.457 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.216 11.657 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.317 12.569 -0.740 1.00 0.00 H new ATOM 0 HG SER A 3 7.668 13.758 -2.625 1.00 0.00 H new ATOM 24 N ASN A 4 9.666 10.300 0.414 1.00 0.00 N ATOM 25 CA ASN A 4 9.637 9.397 1.554 1.00 0.00 C ATOM 26 C ASN A 4 8.368 9.598 2.391 1.00 0.00 C ATOM 27 O ASN A 4 8.171 8.923 3.398 1.00 0.00 O ATOM 28 CB ASN A 4 10.901 9.626 2.385 1.00 0.00 C ATOM 29 CG ASN A 4 11.154 8.512 3.390 1.00 0.00 C ATOM 30 OD1 ASN A 4 10.714 7.380 3.213 1.00 0.00 O ATOM 31 ND2 ASN A 4 11.869 8.825 4.463 1.00 0.00 N ATOM 0 H ASN A 4 10.112 11.197 0.606 1.00 0.00 H new ATOM 0 HA ASN A 4 9.616 8.365 1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 4 11.759 9.709 1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 4 10.816 10.575 2.915 1.00 0.00 H new ATOM 0 HD21 ASN A 4 12.067 8.116 5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.221 9.775 4.582 1.00 0.00 H new ATOM 38 N VAL A 5 7.500 10.531 1.978 1.00 0.00 N ATOM 39 CA VAL A 5 6.308 10.883 2.736 1.00 0.00 C ATOM 40 C VAL A 5 5.094 10.089 2.268 1.00 0.00 C ATOM 41 O VAL A 5 4.849 9.961 1.069 1.00 0.00 O ATOM 42 CB VAL A 5 6.075 12.393 2.657 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.780 12.801 3.360 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.240 13.116 3.345 1.00 0.00 C ATOM 0 H VAL A 5 7.610 11.057 1.111 1.00 0.00 H new ATOM 0 HA VAL A 5 6.463 10.616 3.782 1.00 0.00 H new ATOM 0 HB VAL A 5 6.004 12.666 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.649 13.880 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.936 12.298 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.831 12.516 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.081 14.193 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.294 12.807 4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.173 12.862 2.843 1.00 0.00 H new ATOM 54 N THR A 6 4.335 9.559 3.233 1.00 0.00 N ATOM 55 CA THR A 6 3.169 8.726 2.976 1.00 0.00 C ATOM 56 C THR A 6 2.123 8.844 4.091 1.00 0.00 C ATOM 57 O THR A 6 1.138 8.115 4.070 1.00 0.00 O ATOM 58 CB THR A 6 3.585 7.252 2.864 1.00 0.00 C ATOM 59 OG1 THR A 6 4.212 6.840 4.061 1.00 0.00 O ATOM 60 CG2 THR A 6 4.567 6.995 1.723 1.00 0.00 C ATOM 0 H THR A 6 4.521 9.702 4.226 1.00 0.00 H new ATOM 0 HA THR A 6 2.731 9.076 2.041 1.00 0.00 H new ATOM 0 HB THR A 6 2.670 6.692 2.670 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.534 6.523 4.693 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.823 5.936 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.109 7.282 0.777 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.471 7.583 1.882 1.00 0.00 H new ATOM 68 N ASN A 7 2.303 9.738 5.070 1.00 0.00 N ATOM 69 CA ASN A 7 1.411 9.782 6.224 1.00 0.00 C ATOM 70 C ASN A 7 0.386 10.914 6.177 1.00 0.00 C ATOM 71 O ASN A 7 -0.134 11.311 7.220 1.00 0.00 O ATOM 72 CB ASN A 7 2.216 9.739 7.524 1.00 0.00 C ATOM 73 CG ASN A 7 2.986 11.019 7.814 1.00 0.00 C ATOM 74 OD1 ASN A 7 2.836 12.030 7.134 1.00 0.00 O ATOM 75 ND2 ASN A 7 3.826 10.978 8.844 1.00 0.00 N ATOM 0 H ASN A 7 3.051 10.432 5.083 1.00 0.00 H new ATOM 0 HA ASN A 7 0.796 8.883 6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.538 9.539 8.353 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.918 8.907 7.478 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.371 11.804 9.091 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.925 10.120 9.387 1.00 0.00 H new ATOM 82 N LYS A 8 0.078 11.439 4.987 1.00 0.00 N ATOM 83 CA LYS A 8 -0.931 12.479 4.837 1.00 0.00 C ATOM 84 C LYS A 8 -2.314 11.920 5.155 1.00 0.00 C ATOM 85 O LYS A 8 -2.580 10.743 4.921 1.00 0.00 O ATOM 86 CB LYS A 8 -0.873 13.064 3.425 1.00 0.00 C ATOM 87 CG LYS A 8 0.498 13.703 3.181 1.00 0.00 C ATOM 88 CD LYS A 8 0.517 14.468 1.858 1.00 0.00 C ATOM 89 CE LYS A 8 0.286 13.529 0.672 1.00 0.00 C ATOM 90 NZ LYS A 8 0.332 14.271 -0.605 1.00 0.00 N ATOM 0 H LYS A 8 0.519 11.155 4.112 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.728 13.284 5.543 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.055 12.280 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.659 13.809 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.739 14.380 4.000 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.267 12.930 3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.253 15.239 1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.475 14.976 1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.044 12.746 0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.681 13.036 0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.173 13.613 -1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.408 15.002 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.264 14.721 -0.712 1.00 0.00 H new ATOM 104 N THR A 9 -3.193 12.764 5.691 1.00 0.00 N ATOM 105 CA THR A 9 -4.500 12.327 6.183 1.00 0.00 C ATOM 106 C THR A 9 -5.657 13.077 5.529 1.00 0.00 C ATOM 107 O THR A 9 -6.753 13.128 6.086 1.00 0.00 O ATOM 108 CB THR A 9 -4.561 12.441 7.708 1.00 0.00 C ATOM 109 OG1 THR A 9 -4.325 13.779 8.097 1.00 0.00 O ATOM 110 CG2 THR A 9 -3.519 11.536 8.360 1.00 0.00 C ATOM 0 H THR A 9 -3.022 13.764 5.797 1.00 0.00 H new ATOM 0 HA THR A 9 -4.615 11.280 5.902 1.00 0.00 H new ATOM 0 HB THR A 9 -5.553 12.130 8.036 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.367 13.848 9.074 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.580 11.633 9.444 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.708 10.501 8.077 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.523 11.827 8.025 1.00 0.00 H new ATOM 118 N ASP A 10 -5.432 13.667 4.349 1.00 0.00 N ATOM 119 CA ASP A 10 -6.478 14.393 3.643 1.00 0.00 C ATOM 120 C ASP A 10 -7.550 13.433 3.130 1.00 0.00 C ATOM 121 O ASP A 10 -7.282 12.244 2.961 1.00 0.00 O ATOM 122 CB ASP A 10 -5.880 15.220 2.504 1.00 0.00 C ATOM 123 CG ASP A 10 -4.762 16.128 3.001 1.00 0.00 C ATOM 124 OD1 ASP A 10 -5.087 17.226 3.507 1.00 0.00 O ATOM 125 OD2 ASP A 10 -3.586 15.720 2.872 1.00 0.00 O ATOM 0 H ASP A 10 -4.533 13.652 3.868 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.956 15.080 4.341 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.493 14.553 1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.661 15.823 2.041 1.00 0.00 H new ATOM 130 N PRO A 11 -8.762 13.939 2.877 1.00 0.00 N ATOM 131 CA PRO A 11 -9.914 13.139 2.487 1.00 0.00 C ATOM 132 C PRO A 11 -9.738 12.383 1.168 1.00 0.00 C ATOM 133 O PRO A 11 -10.651 11.669 0.753 1.00 0.00 O ATOM 134 CB PRO A 11 -11.078 14.128 2.393 1.00 0.00 C ATOM 135 CG PRO A 11 -10.632 15.319 3.233 1.00 0.00 C ATOM 136 CD PRO A 11 -9.131 15.337 2.995 1.00 0.00 C ATOM 0 HA PRO A 11 -10.078 12.351 3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.269 14.419 1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.001 13.694 2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.106 16.246 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.875 15.187 4.287 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.880 15.891 2.090 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.605 15.818 3.820 1.00 0.00 H new ATOM 144 N ARG A 12 -8.586 12.526 0.502 1.00 0.00 N ATOM 145 CA ARG A 12 -8.326 11.859 -0.765 1.00 0.00 C ATOM 146 C ARG A 12 -6.909 11.300 -0.804 1.00 0.00 C ATOM 147 O ARG A 12 -6.652 10.335 -1.519 1.00 0.00 O ATOM 148 CB ARG A 12 -8.594 12.860 -1.897 1.00 0.00 C ATOM 149 CG ARG A 12 -9.031 12.183 -3.206 1.00 0.00 C ATOM 150 CD ARG A 12 -7.863 11.735 -4.088 1.00 0.00 C ATOM 151 NE ARG A 12 -7.076 12.883 -4.559 1.00 0.00 N ATOM 152 CZ ARG A 12 -5.780 13.084 -4.293 1.00 0.00 C ATOM 153 NH1 ARG A 12 -5.093 12.226 -3.546 1.00 0.00 N ATOM 154 NH2 ARG A 12 -5.167 14.157 -4.780 1.00 0.00 N ATOM 0 H ARG A 12 -7.815 13.107 0.831 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.990 11.003 -0.889 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.368 13.560 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.692 13.444 -2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.648 11.316 -2.968 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.657 12.874 -3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.220 11.057 -3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.244 11.178 -4.944 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.553 13.579 -5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.553 11.399 -3.166 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.106 12.395 -3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.684 14.823 -5.354 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.179 14.315 -4.580 1.00 0.00 H new ATOM 168 N SER A 13 -5.974 11.882 -0.046 1.00 0.00 N ATOM 169 CA SER A 13 -4.597 11.405 -0.053 1.00 0.00 C ATOM 170 C SER A 13 -4.472 10.096 0.715 1.00 0.00 C ATOM 171 O SER A 13 -3.591 9.293 0.420 1.00 0.00 O ATOM 172 CB SER A 13 -3.672 12.470 0.532 1.00 0.00 C ATOM 173 OG SER A 13 -3.950 12.666 1.901 1.00 0.00 O ATOM 0 H SER A 13 -6.147 12.675 0.572 1.00 0.00 H new ATOM 0 HA SER A 13 -4.300 11.214 -1.084 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.633 12.167 0.405 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.799 13.408 -0.009 1.00 0.00 H new ATOM 0 HG SER A 13 -3.294 12.177 2.441 1.00 0.00 H new ATOM 179 N MET A 14 -5.343 9.863 1.700 1.00 0.00 N ATOM 180 CA MET A 14 -5.331 8.596 2.415 1.00 0.00 C ATOM 181 C MET A 14 -6.166 7.528 1.707 1.00 0.00 C ATOM 182 O MET A 14 -6.305 6.418 2.217 1.00 0.00 O ATOM 183 CB MET A 14 -5.705 8.799 3.882 1.00 0.00 C ATOM 184 CG MET A 14 -7.209 8.910 4.124 1.00 0.00 C ATOM 185 SD MET A 14 -7.649 9.061 5.877 1.00 0.00 S ATOM 186 CE MET A 14 -6.924 7.533 6.542 1.00 0.00 C ATOM 0 H MET A 14 -6.052 10.526 2.013 1.00 0.00 H new ATOM 0 HA MET A 14 -4.313 8.207 2.407 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.313 7.966 4.466 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.219 9.703 4.250 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.593 9.776 3.585 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.702 8.031 3.708 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.566 7.139 7.330 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.834 6.796 5.744 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.937 7.747 6.951 1.00 0.00 H new ATOM 196 N ASN A 15 -6.725 7.856 0.537 1.00 0.00 N ATOM 197 CA ASN A 15 -7.456 6.902 -0.286 1.00 0.00 C ATOM 198 C ASN A 15 -6.667 6.590 -1.560 1.00 0.00 C ATOM 199 O ASN A 15 -6.836 5.522 -2.141 1.00 0.00 O ATOM 200 CB ASN A 15 -8.853 7.450 -0.603 1.00 0.00 C ATOM 201 CG ASN A 15 -9.715 7.512 0.651 1.00 0.00 C ATOM 202 OD1 ASN A 15 -10.383 6.544 0.999 1.00 0.00 O ATOM 203 ND2 ASN A 15 -9.706 8.647 1.344 1.00 0.00 N ATOM 0 H ASN A 15 -6.680 8.794 0.138 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.579 5.968 0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.766 8.446 -1.038 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.335 6.817 -1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.266 8.731 2.192 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.139 9.434 1.027 1.00 0.00 H new ATOM 210 N SER A 16 -5.802 7.513 -1.996 1.00 0.00 N ATOM 211 CA SER A 16 -4.844 7.250 -3.058 1.00 0.00 C ATOM 212 C SER A 16 -3.590 6.578 -2.499 1.00 0.00 C ATOM 213 O SER A 16 -2.653 6.297 -3.246 1.00 0.00 O ATOM 214 CB SER A 16 -4.506 8.541 -3.797 1.00 0.00 C ATOM 215 OG SER A 16 -3.916 9.469 -2.909 1.00 0.00 O ATOM 0 H SER A 16 -5.752 8.459 -1.619 1.00 0.00 H new ATOM 0 HA SER A 16 -5.293 6.562 -3.774 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.824 8.330 -4.621 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.410 8.967 -4.233 1.00 0.00 H new ATOM 0 HG SER A 16 -3.420 10.142 -3.421 1.00 0.00 H new ATOM 221 N ARG A 17 -3.563 6.317 -1.186 1.00 0.00 N ATOM 222 CA ARG A 17 -2.476 5.597 -0.540 1.00 0.00 C ATOM 223 C ARG A 17 -2.837 4.124 -0.410 1.00 0.00 C ATOM 224 O ARG A 17 -4.012 3.778 -0.290 1.00 0.00 O ATOM 225 CB ARG A 17 -2.190 6.209 0.828 1.00 0.00 C ATOM 226 CG ARG A 17 -0.986 5.509 1.456 1.00 0.00 C ATOM 227 CD ARG A 17 -0.396 6.333 2.589 1.00 0.00 C ATOM 228 NE ARG A 17 -1.376 6.622 3.639 1.00 0.00 N ATOM 229 CZ ARG A 17 -1.909 7.827 3.852 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.654 8.853 3.043 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.711 8.012 4.891 1.00 0.00 N ATOM 0 H ARG A 17 -4.302 6.604 -0.545 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.575 5.678 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.992 7.276 0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.062 6.106 1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.287 4.532 1.833 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.225 5.337 0.695 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.449 5.798 3.022 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.009 7.270 2.189 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.669 5.855 4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.039 8.728 2.239 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.074 9.764 3.227 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.917 7.237 5.521 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.122 8.930 5.061 1.00 0.00 H new ATOM 245 N VAL A 18 -1.824 3.261 -0.430 1.00 0.00 N ATOM 246 CA VAL A 18 -2.000 1.829 -0.283 1.00 0.00 C ATOM 247 C VAL A 18 -1.142 1.321 0.863 1.00 0.00 C ATOM 248 O VAL A 18 0.054 1.602 0.924 1.00 0.00 O ATOM 249 CB VAL A 18 -1.654 1.120 -1.594 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.833 -0.389 -1.444 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.588 1.618 -2.693 1.00 0.00 C ATOM 0 H VAL A 18 -0.852 3.544 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.043 1.612 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.616 1.336 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.583 -0.880 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.175 -0.757 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.868 -0.608 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.347 1.117 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.620 1.400 -2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.465 2.694 -2.815 1.00 0.00 H new ATOM 261 N PHE A 19 -1.772 0.570 1.764 1.00 0.00 N ATOM 262 CA PHE A 19 -1.102 -0.093 2.865 1.00 0.00 C ATOM 263 C PHE A 19 -0.670 -1.484 2.415 1.00 0.00 C ATOM 264 O PHE A 19 -1.459 -2.217 1.822 1.00 0.00 O ATOM 265 CB PHE A 19 -2.066 -0.159 4.051 1.00 0.00 C ATOM 266 CG PHE A 19 -1.540 -0.916 5.248 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.295 -0.579 5.801 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.299 -1.951 5.809 1.00 0.00 C ATOM 269 CE1 PHE A 19 0.182 -1.274 6.918 1.00 0.00 C ATOM 270 CE2 PHE A 19 -1.816 -2.650 6.925 1.00 0.00 C ATOM 271 CZ PHE A 19 -0.573 -2.314 7.478 1.00 0.00 C ATOM 0 H PHE A 19 -2.779 0.407 1.743 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.212 0.455 3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.312 0.857 4.360 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.995 -0.625 3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.294 0.215 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.256 -2.211 5.382 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.135 -1.008 7.350 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.402 -3.447 7.358 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.197 -2.855 8.334 1.00 0.00 H new ATOM 281 N ILE A 20 0.583 -1.846 2.695 1.00 0.00 N ATOM 282 CA ILE A 20 1.144 -3.138 2.321 1.00 0.00 C ATOM 283 C ILE A 20 1.588 -3.835 3.597 1.00 0.00 C ATOM 284 O ILE A 20 2.757 -3.781 3.974 1.00 0.00 O ATOM 285 CB ILE A 20 2.313 -2.945 1.349 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.850 -2.236 0.071 1.00 0.00 C ATOM 287 CG2 ILE A 20 2.960 -4.289 0.983 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.042 -1.632 -0.668 1.00 0.00 C ATOM 0 H ILE A 20 1.239 -1.244 3.192 1.00 0.00 H new ATOM 0 HA ILE A 20 0.402 -3.751 1.810 1.00 0.00 H new ATOM 0 HB ILE A 20 3.054 -2.325 1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.333 -2.944 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.135 -1.452 0.322 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.786 -4.119 0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.335 -4.770 1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.218 -4.933 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.694 -1.133 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.541 -0.909 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.742 -2.423 -0.936 1.00 0.00 H new ATOM 300 N GLY A 21 0.644 -4.491 4.262 1.00 0.00 N ATOM 301 CA GLY A 21 0.926 -5.234 5.472 1.00 0.00 C ATOM 302 C GLY A 21 1.429 -6.630 5.133 1.00 0.00 C ATOM 303 O GLY A 21 1.488 -7.011 3.963 1.00 0.00 O ATOM 0 H GLY A 21 -0.334 -4.519 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.673 -4.706 6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.025 -5.303 6.082 1.00 0.00 H new ATOM 307 N ASN A 22 1.796 -7.397 6.164 1.00 0.00 N ATOM 308 CA ASN A 22 2.341 -8.732 5.989 1.00 0.00 C ATOM 309 C ASN A 22 3.457 -8.710 4.940 1.00 0.00 C ATOM 310 O ASN A 22 3.452 -9.504 4.004 1.00 0.00 O ATOM 311 CB ASN A 22 1.220 -9.722 5.644 1.00 0.00 C ATOM 312 CG ASN A 22 1.725 -11.157 5.612 1.00 0.00 C ATOM 313 OD1 ASN A 22 2.837 -11.451 6.041 1.00 0.00 O ATOM 314 ND2 ASN A 22 0.909 -12.071 5.102 1.00 0.00 N ATOM 0 H ASN A 22 1.721 -7.104 7.138 1.00 0.00 H new ATOM 0 HA ASN A 22 2.787 -9.073 6.923 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.419 -9.635 6.378 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.793 -9.465 4.674 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.200 -13.048 5.059 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.009 -11.797 4.753 1.00 0.00 H new ATOM 321 N LEU A 23 4.417 -7.792 5.091 1.00 0.00 N ATOM 322 CA LEU A 23 5.535 -7.664 4.170 1.00 0.00 C ATOM 323 C LEU A 23 6.786 -8.296 4.781 1.00 0.00 C ATOM 324 O LEU A 23 6.997 -8.196 5.989 1.00 0.00 O ATOM 325 CB LEU A 23 5.718 -6.182 3.835 1.00 0.00 C ATOM 326 CG LEU A 23 6.804 -5.909 2.794 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.497 -6.580 1.458 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.903 -4.402 2.578 1.00 0.00 C ATOM 0 H LEU A 23 4.435 -7.120 5.858 1.00 0.00 H new ATOM 0 HA LEU A 23 5.342 -8.198 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.771 -5.783 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.961 -5.641 4.749 1.00 0.00 H new ATOM 0 HG LEU A 23 7.743 -6.319 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.294 -6.360 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.426 -7.658 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.551 -6.202 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.674 -4.190 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.945 -4.022 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.161 -3.916 3.519 1.00 0.00 H new ATOM 340 N ASN A 24 7.622 -8.945 3.959 1.00 0.00 N ATOM 341 CA ASN A 24 8.815 -9.611 4.468 1.00 0.00 C ATOM 342 C ASN A 24 9.870 -8.606 4.924 1.00 0.00 C ATOM 343 O ASN A 24 10.550 -8.840 5.918 1.00 0.00 O ATOM 344 CB ASN A 24 9.406 -10.508 3.381 1.00 0.00 C ATOM 345 CG ASN A 24 10.457 -11.443 3.965 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.254 -12.035 5.021 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.587 -11.583 3.284 1.00 0.00 N ATOM 0 H ASN A 24 7.491 -9.019 2.950 1.00 0.00 H new ATOM 0 HA ASN A 24 8.521 -10.209 5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.613 -11.092 2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.853 -9.894 2.599 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.321 -12.198 3.635 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.722 -11.075 2.410 1.00 0.00 H new ATOM 354 N THR A 25 9.987 -7.497 4.180 1.00 0.00 N ATOM 355 CA THR A 25 10.912 -6.378 4.394 1.00 0.00 C ATOM 356 C THR A 25 12.390 -6.758 4.505 1.00 0.00 C ATOM 357 O THR A 25 13.238 -5.876 4.632 1.00 0.00 O ATOM 358 CB THR A 25 10.474 -5.503 5.573 1.00 0.00 C ATOM 359 OG1 THR A 25 10.684 -6.157 6.803 1.00 0.00 O ATOM 360 CG2 THR A 25 8.997 -5.130 5.454 1.00 0.00 C ATOM 0 H THR A 25 9.399 -7.349 3.360 1.00 0.00 H new ATOM 0 HA THR A 25 10.846 -5.797 3.474 1.00 0.00 H new ATOM 0 HB THR A 25 11.082 -4.599 5.544 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.776 -7.121 6.650 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.709 -4.509 6.302 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.835 -4.578 4.528 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.392 -6.037 5.447 1.00 0.00 H new ATOM 368 N LEU A 26 12.719 -8.051 4.456 1.00 0.00 N ATOM 369 CA LEU A 26 14.092 -8.524 4.509 1.00 0.00 C ATOM 370 C LEU A 26 14.699 -8.639 3.111 1.00 0.00 C ATOM 371 O LEU A 26 15.918 -8.733 2.980 1.00 0.00 O ATOM 372 CB LEU A 26 14.121 -9.880 5.215 1.00 0.00 C ATOM 373 CG LEU A 26 14.462 -9.751 6.705 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.423 -8.932 7.467 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.538 -11.142 7.326 1.00 0.00 C ATOM 0 H LEU A 26 12.030 -8.799 4.378 1.00 0.00 H new ATOM 0 HA LEU A 26 14.691 -7.802 5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.151 -10.365 5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.855 -10.524 4.731 1.00 0.00 H new ATOM 0 HG LEU A 26 15.419 -9.235 6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.708 -8.869 8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.370 -7.929 7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.448 -9.413 7.384 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.780 -11.055 8.385 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.577 -11.644 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.311 -11.723 6.824 1.00 0.00 H new ATOM 387 N VAL A 27 13.860 -8.629 2.069 1.00 0.00 N ATOM 388 CA VAL A 27 14.320 -8.715 0.686 1.00 0.00 C ATOM 389 C VAL A 27 13.738 -7.571 -0.146 1.00 0.00 C ATOM 390 O VAL A 27 14.251 -7.274 -1.223 1.00 0.00 O ATOM 391 CB VAL A 27 13.942 -10.084 0.112 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.436 -10.260 -1.324 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.560 -11.204 0.955 1.00 0.00 C ATOM 0 H VAL A 27 12.847 -8.561 2.164 1.00 0.00 H new ATOM 0 HA VAL A 27 15.405 -8.615 0.653 1.00 0.00 H new ATOM 0 HB VAL A 27 12.853 -10.137 0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.146 -11.245 -1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.993 -9.492 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.522 -10.169 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.283 -12.171 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.645 -11.105 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.192 -11.134 1.979 1.00 0.00 H new ATOM 403 N VAL A 28 12.675 -6.923 0.348 1.00 0.00 N ATOM 404 CA VAL A 28 12.057 -5.798 -0.348 1.00 0.00 C ATOM 405 C VAL A 28 12.204 -4.519 0.462 1.00 0.00 C ATOM 406 O VAL A 28 11.928 -4.510 1.662 1.00 0.00 O ATOM 407 CB VAL A 28 10.584 -6.104 -0.642 1.00 0.00 C ATOM 408 CG1 VAL A 28 9.943 -4.956 -1.425 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.469 -7.381 -1.475 1.00 0.00 C ATOM 0 H VAL A 28 12.227 -7.164 1.232 1.00 0.00 H new ATOM 0 HA VAL A 28 12.570 -5.648 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 28 10.070 -6.230 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.898 -5.191 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.003 -4.038 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.471 -4.820 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.419 -7.589 -1.678 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.002 -7.250 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.904 -8.215 -0.925 1.00 0.00 H new ATOM 419 N LYS A 29 12.637 -3.444 -0.204 1.00 0.00 N ATOM 420 CA LYS A 29 12.907 -2.153 0.418 1.00 0.00 C ATOM 421 C LYS A 29 12.089 -1.052 -0.236 1.00 0.00 C ATOM 422 O LYS A 29 11.365 -1.275 -1.203 1.00 0.00 O ATOM 423 CB LYS A 29 14.400 -1.817 0.293 1.00 0.00 C ATOM 424 CG LYS A 29 15.322 -2.908 0.830 1.00 0.00 C ATOM 425 CD LYS A 29 14.992 -3.262 2.278 1.00 0.00 C ATOM 426 CE LYS A 29 16.022 -4.256 2.808 1.00 0.00 C ATOM 427 NZ LYS A 29 15.765 -4.584 4.224 1.00 0.00 N ATOM 0 H LYS A 29 12.812 -3.451 -1.209 1.00 0.00 H new ATOM 0 HA LYS A 29 12.628 -2.218 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.636 -1.638 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.600 -0.889 0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.233 -3.799 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.358 -2.575 0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 29 14.991 -2.362 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.992 -3.691 2.340 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.994 -5.167 2.210 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.023 -3.837 2.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.509 -5.222 4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.765 -3.710 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.840 -5.052 4.310 1.00 0.00 H new ATOM 441 N LYS A 30 12.220 0.156 0.314 1.00 0.00 N ATOM 442 CA LYS A 30 11.516 1.345 -0.161 1.00 0.00 C ATOM 443 C LYS A 30 12.036 1.809 -1.520 1.00 0.00 C ATOM 444 O LYS A 30 11.477 2.727 -2.117 1.00 0.00 O ATOM 445 CB LYS A 30 11.624 2.438 0.900 1.00 0.00 C ATOM 446 CG LYS A 30 13.082 2.779 1.213 1.00 0.00 C ATOM 447 CD LYS A 30 13.204 3.168 2.684 1.00 0.00 C ATOM 448 CE LYS A 30 12.333 4.379 3.031 1.00 0.00 C ATOM 449 NZ LYS A 30 12.755 5.581 2.285 1.00 0.00 N ATOM 0 H LYS A 30 12.827 0.337 1.113 1.00 0.00 H new ATOM 0 HA LYS A 30 10.464 1.103 -0.314 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.107 3.333 0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.123 2.112 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.722 1.924 0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.420 3.599 0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.914 2.322 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.245 3.392 2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.291 4.156 2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.391 4.575 4.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.113 6.369 2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.725 5.837 2.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.725 5.384 1.264 1.00 0.00 H new ATOM 463 N SER A 31 13.102 1.167 -2.003 1.00 0.00 N ATOM 464 CA SER A 31 13.659 1.402 -3.327 1.00 0.00 C ATOM 465 C SER A 31 13.226 0.298 -4.290 1.00 0.00 C ATOM 466 O SER A 31 13.612 0.311 -5.457 1.00 0.00 O ATOM 467 CB SER A 31 15.181 1.484 -3.239 1.00 0.00 C ATOM 468 OG SER A 31 15.551 2.498 -2.326 1.00 0.00 O ATOM 0 H SER A 31 13.607 0.458 -1.472 1.00 0.00 H new ATOM 0 HA SER A 31 13.282 2.350 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.589 0.525 -2.918 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.601 1.696 -4.222 1.00 0.00 H new ATOM 0 HG SER A 31 16.528 2.547 -2.270 1.00 0.00 H new ATOM 474 N ASP A 32 12.424 -0.660 -3.808 1.00 0.00 N ATOM 475 CA ASP A 32 11.924 -1.766 -4.600 1.00 0.00 C ATOM 476 C ASP A 32 10.402 -1.705 -4.705 1.00 0.00 C ATOM 477 O ASP A 32 9.832 -2.099 -5.723 1.00 0.00 O ATOM 478 CB ASP A 32 12.364 -3.066 -3.934 1.00 0.00 C ATOM 479 CG ASP A 32 13.864 -3.296 -4.093 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.280 -3.654 -5.220 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.587 -3.111 -3.088 1.00 0.00 O ATOM 0 H ASP A 32 12.105 -0.679 -2.839 1.00 0.00 H new ATOM 0 HA ASP A 32 12.326 -1.712 -5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.110 -3.037 -2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.818 -3.903 -4.371 1.00 0.00 H new ATOM 486 N VAL A 33 9.724 -1.206 -3.666 1.00 0.00 N ATOM 487 CA VAL A 33 8.276 -1.067 -3.702 1.00 0.00 C ATOM 488 C VAL A 33 7.905 -0.046 -4.777 1.00 0.00 C ATOM 489 O VAL A 33 6.855 -0.154 -5.404 1.00 0.00 O ATOM 490 CB VAL A 33 7.781 -0.632 -2.320 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.291 -0.312 -2.339 1.00 0.00 C ATOM 492 CG2 VAL A 33 7.998 -1.754 -1.304 1.00 0.00 C ATOM 0 H VAL A 33 10.158 -0.895 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 33 7.801 -2.016 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 33 8.346 0.258 -2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.972 -0.007 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.102 0.497 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.733 -1.197 -2.643 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.642 -1.432 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.447 -2.640 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.060 -1.990 -1.244 1.00 0.00 H new ATOM 502 N GLU A 34 8.770 0.947 -4.995 1.00 0.00 N ATOM 503 CA GLU A 34 8.552 1.958 -6.019 1.00 0.00 C ATOM 504 C GLU A 34 8.925 1.447 -7.413 1.00 0.00 C ATOM 505 O GLU A 34 8.975 2.225 -8.364 1.00 0.00 O ATOM 506 CB GLU A 34 9.281 3.255 -5.669 1.00 0.00 C ATOM 507 CG GLU A 34 10.798 3.059 -5.614 1.00 0.00 C ATOM 508 CD GLU A 34 11.532 4.375 -5.353 1.00 0.00 C ATOM 509 OE1 GLU A 34 10.865 5.353 -4.943 1.00 0.00 O ATOM 510 OE2 GLU A 34 12.765 4.393 -5.569 1.00 0.00 O ATOM 0 H GLU A 34 9.635 1.068 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 34 7.485 2.179 -6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.040 4.018 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.927 3.622 -4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.044 2.344 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.143 2.631 -6.555 1.00 0.00 H new ATOM 517 N ALA A 35 9.187 0.140 -7.536 1.00 0.00 N ATOM 518 CA ALA A 35 9.481 -0.506 -8.807 1.00 0.00 C ATOM 519 C ALA A 35 8.583 -1.728 -9.019 1.00 0.00 C ATOM 520 O ALA A 35 8.587 -2.313 -10.100 1.00 0.00 O ATOM 521 CB ALA A 35 10.963 -0.885 -8.840 1.00 0.00 C ATOM 0 H ALA A 35 9.199 -0.500 -6.742 1.00 0.00 H new ATOM 0 HA ALA A 35 9.274 0.184 -9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.194 -1.370 -9.789 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.571 0.014 -8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.182 -1.569 -8.020 1.00 0.00 H new ATOM 527 N ILE A 36 7.815 -2.114 -7.993 1.00 0.00 N ATOM 528 CA ILE A 36 6.891 -3.243 -8.065 1.00 0.00 C ATOM 529 C ILE A 36 5.448 -2.748 -8.062 1.00 0.00 C ATOM 530 O ILE A 36 4.564 -3.424 -8.580 1.00 0.00 O ATOM 531 CB ILE A 36 7.155 -4.174 -6.873 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.583 -4.732 -6.970 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.140 -5.322 -6.852 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.041 -5.322 -5.632 1.00 0.00 C ATOM 0 H ILE A 36 7.820 -1.647 -7.086 1.00 0.00 H new ATOM 0 HA ILE A 36 7.049 -3.793 -8.992 1.00 0.00 H new ATOM 0 HB ILE A 36 7.048 -3.607 -5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.624 -5.500 -7.742 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.266 -3.939 -7.273 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.343 -5.971 -6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.132 -4.915 -6.766 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.222 -5.897 -7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.055 -5.709 -5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.023 -4.546 -4.867 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.371 -6.132 -5.343 1.00 0.00 H new ATOM 546 N PHE A 37 5.202 -1.569 -7.482 1.00 0.00 N ATOM 547 CA PHE A 37 3.872 -0.989 -7.422 1.00 0.00 C ATOM 548 C PHE A 37 3.726 0.146 -8.438 1.00 0.00 C ATOM 549 O PHE A 37 2.630 0.661 -8.640 1.00 0.00 O ATOM 550 CB PHE A 37 3.604 -0.524 -5.990 1.00 0.00 C ATOM 551 CG PHE A 37 3.383 -1.656 -5.012 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.476 -2.368 -4.504 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.084 -1.996 -4.606 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.274 -3.430 -3.610 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.876 -3.052 -3.708 1.00 0.00 C ATOM 556 CZ PHE A 37 2.974 -3.769 -3.211 1.00 0.00 C ATOM 0 H PHE A 37 5.924 -0.997 -7.044 1.00 0.00 H new ATOM 0 HA PHE A 37 3.125 -1.737 -7.689 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.446 0.078 -5.650 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.727 0.123 -5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.479 -2.099 -4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.240 -1.441 -4.987 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.119 -3.985 -3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.874 -3.312 -3.400 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.818 -4.584 -2.520 1.00 0.00 H new ATOM 566 N SER A 38 4.829 0.539 -9.081 1.00 0.00 N ATOM 567 CA SER A 38 4.824 1.621 -10.062 1.00 0.00 C ATOM 568 C SER A 38 4.161 1.189 -11.366 1.00 0.00 C ATOM 569 O SER A 38 3.820 2.025 -12.203 1.00 0.00 O ATOM 570 CB SER A 38 6.263 2.053 -10.328 1.00 0.00 C ATOM 571 OG SER A 38 7.017 0.945 -10.770 1.00 0.00 O ATOM 0 H SER A 38 5.746 0.116 -8.935 1.00 0.00 H new ATOM 0 HA SER A 38 4.248 2.455 -9.660 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.283 2.842 -11.080 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.703 2.466 -9.420 1.00 0.00 H new ATOM 0 HG SER A 38 7.890 1.251 -11.092 1.00 0.00 H new ATOM 577 N LYS A 39 3.975 -0.122 -11.540 1.00 0.00 N ATOM 578 CA LYS A 39 3.338 -0.690 -12.722 1.00 0.00 C ATOM 579 C LYS A 39 1.814 -0.598 -12.658 1.00 0.00 C ATOM 580 O LYS A 39 1.149 -0.831 -13.667 1.00 0.00 O ATOM 581 CB LYS A 39 3.809 -2.136 -12.872 1.00 0.00 C ATOM 582 CG LYS A 39 3.285 -2.982 -11.712 1.00 0.00 C ATOM 583 CD LYS A 39 4.084 -4.280 -11.603 1.00 0.00 C ATOM 584 CE LYS A 39 3.939 -5.154 -12.851 1.00 0.00 C ATOM 585 NZ LYS A 39 2.548 -5.614 -13.036 1.00 0.00 N ATOM 0 H LYS A 39 4.266 -0.821 -10.857 1.00 0.00 H new ATOM 0 HA LYS A 39 3.631 -0.113 -13.599 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.457 -2.545 -13.819 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.898 -2.171 -12.895 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.360 -2.421 -10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.230 -3.208 -11.865 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.137 -4.045 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.749 -4.839 -10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.256 -4.591 -13.729 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.600 -6.017 -12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.550 -6.567 -13.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.065 -5.639 -12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.048 -4.960 -13.671 1.00 0.00 H new ATOM 599 N TYR A 40 1.256 -0.259 -11.491 1.00 0.00 N ATOM 600 CA TYR A 40 -0.186 -0.109 -11.324 1.00 0.00 C ATOM 601 C TYR A 40 -0.590 1.356 -11.195 1.00 0.00 C ATOM 602 O TYR A 40 -1.766 1.688 -11.340 1.00 0.00 O ATOM 603 CB TYR A 40 -0.631 -0.901 -10.096 1.00 0.00 C ATOM 604 CG TYR A 40 -0.217 -2.351 -10.160 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.857 -3.232 -11.049 1.00 0.00 C ATOM 606 CD2 TYR A 40 0.817 -2.809 -9.332 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.446 -4.570 -11.123 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.239 -4.143 -9.411 1.00 0.00 C ATOM 609 CZ TYR A 40 0.608 -5.029 -10.306 1.00 0.00 C ATOM 610 OH TYR A 40 1.016 -6.324 -10.390 1.00 0.00 O ATOM 0 H TYR A 40 1.792 -0.082 -10.641 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.682 -0.499 -12.213 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.208 -0.445 -9.201 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.715 -0.840 -10.002 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.664 -2.879 -11.674 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.288 -2.134 -8.633 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.936 -5.249 -11.805 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.048 -4.492 -8.786 1.00 0.00 H new ATOM 0 HH TYR A 40 1.406 -6.600 -9.534 1.00 0.00 H new ATOM 620 N GLY A 41 0.378 2.231 -10.921 1.00 0.00 N ATOM 621 CA GLY A 41 0.123 3.661 -10.881 1.00 0.00 C ATOM 622 C GLY A 41 1.400 4.466 -10.663 1.00 0.00 C ATOM 623 O GLY A 41 2.419 3.931 -10.234 1.00 0.00 O ATOM 0 H GLY A 41 1.344 1.969 -10.724 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.346 3.971 -11.815 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.584 3.880 -10.081 1.00 0.00 H new ATOM 627 N LYS A 42 1.327 5.764 -10.965 1.00 0.00 N ATOM 628 CA LYS A 42 2.436 6.682 -10.763 1.00 0.00 C ATOM 629 C LYS A 42 2.587 6.950 -9.271 1.00 0.00 C ATOM 630 O LYS A 42 1.705 7.542 -8.651 1.00 0.00 O ATOM 631 CB LYS A 42 2.149 7.963 -11.546 1.00 0.00 C ATOM 632 CG LYS A 42 3.118 9.086 -11.177 1.00 0.00 C ATOM 633 CD LYS A 42 2.807 10.321 -12.022 1.00 0.00 C ATOM 634 CE LYS A 42 3.553 11.523 -11.450 1.00 0.00 C ATOM 635 NZ LYS A 42 3.321 12.731 -12.264 1.00 0.00 N ATOM 0 H LYS A 42 0.494 6.203 -11.357 1.00 0.00 H new ATOM 0 HA LYS A 42 3.374 6.261 -11.125 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.220 7.759 -12.614 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.127 8.287 -11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.029 9.325 -10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.146 8.765 -11.346 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.105 10.152 -13.057 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.734 10.512 -12.026 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.227 11.703 -10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.621 11.307 -11.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.840 13.532 -11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.655 12.565 -13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.304 12.949 -12.280 1.00 0.00 H new ATOM 649 N ILE A 43 3.711 6.513 -8.699 1.00 0.00 N ATOM 650 CA ILE A 43 3.974 6.675 -7.277 1.00 0.00 C ATOM 651 C ILE A 43 4.553 8.063 -7.019 1.00 0.00 C ATOM 652 O ILE A 43 5.527 8.460 -7.660 1.00 0.00 O ATOM 653 CB ILE A 43 4.894 5.544 -6.802 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.145 4.217 -6.960 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.297 5.742 -5.338 1.00 0.00 C ATOM 656 CD1 ILE A 43 4.989 3.004 -6.575 1.00 0.00 C ATOM 0 H ILE A 43 4.457 6.040 -9.209 1.00 0.00 H new ATOM 0 HA ILE A 43 3.051 6.605 -6.701 1.00 0.00 H new ATOM 0 HB ILE A 43 5.805 5.543 -7.401 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.247 4.238 -6.343 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.819 4.112 -7.995 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.949 4.926 -5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.825 6.690 -5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.404 5.751 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.402 2.095 -6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.875 2.961 -7.209 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.294 3.089 -5.532 1.00 0.00 H new ATOM 668 N VAL A 44 3.950 8.794 -6.077 1.00 0.00 N ATOM 669 CA VAL A 44 4.397 10.129 -5.693 1.00 0.00 C ATOM 670 C VAL A 44 5.080 10.097 -4.330 1.00 0.00 C ATOM 671 O VAL A 44 5.614 11.111 -3.878 1.00 0.00 O ATOM 672 CB VAL A 44 3.223 11.115 -5.711 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.619 11.195 -7.112 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.132 10.697 -4.726 1.00 0.00 C ATOM 0 H VAL A 44 3.133 8.471 -5.558 1.00 0.00 H new ATOM 0 HA VAL A 44 5.131 10.473 -6.421 1.00 0.00 H new ATOM 0 HB VAL A 44 3.611 12.090 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.787 11.899 -7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.378 11.534 -7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.260 10.210 -7.410 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.314 11.416 -4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.759 9.709 -4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.544 10.667 -3.717 1.00 0.00 H new ATOM 684 N GLY A 45 5.063 8.932 -3.674 1.00 0.00 N ATOM 685 CA GLY A 45 5.726 8.734 -2.398 1.00 0.00 C ATOM 686 C GLY A 45 5.721 7.257 -2.032 1.00 0.00 C ATOM 687 O GLY A 45 4.773 6.543 -2.354 1.00 0.00 O ATOM 0 H GLY A 45 4.584 8.101 -4.022 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.751 9.100 -2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.221 9.311 -1.623 1.00 0.00 H new ATOM 691 N CYS A 46 6.774 6.794 -1.362 1.00 0.00 N ATOM 692 CA CYS A 46 6.899 5.406 -0.957 1.00 0.00 C ATOM 693 C CYS A 46 7.709 5.316 0.331 1.00 0.00 C ATOM 694 O CYS A 46 8.658 6.075 0.525 1.00 0.00 O ATOM 695 CB CYS A 46 7.573 4.613 -2.076 1.00 0.00 C ATOM 696 SG CYS A 46 7.644 2.868 -1.618 1.00 0.00 S ATOM 0 H CYS A 46 7.564 7.377 -1.086 1.00 0.00 H new ATOM 0 HA CYS A 46 5.911 4.984 -0.772 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.018 4.734 -3.007 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.579 4.995 -2.252 1.00 0.00 H new ATOM 0 HG CYS A 46 6.680 2.597 -0.789 1.00 0.00 H new ATOM 702 N SER A 47 7.332 4.386 1.208 1.00 0.00 N ATOM 703 CA SER A 47 8.041 4.149 2.450 1.00 0.00 C ATOM 704 C SER A 47 7.883 2.695 2.867 1.00 0.00 C ATOM 705 O SER A 47 6.855 2.071 2.602 1.00 0.00 O ATOM 706 CB SER A 47 7.521 5.088 3.540 1.00 0.00 C ATOM 707 OG SER A 47 6.165 4.810 3.814 1.00 0.00 O ATOM 0 H SER A 47 6.524 3.779 1.070 1.00 0.00 H new ATOM 0 HA SER A 47 9.102 4.352 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.115 4.970 4.446 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.630 6.124 3.220 1.00 0.00 H new ATOM 0 HG SER A 47 5.662 5.650 3.860 1.00 0.00 H new ATOM 713 N VAL A 48 8.904 2.150 3.529 1.00 0.00 N ATOM 714 CA VAL A 48 8.864 0.802 4.073 1.00 0.00 C ATOM 715 C VAL A 48 9.190 0.853 5.560 1.00 0.00 C ATOM 716 O VAL A 48 9.977 1.687 6.006 1.00 0.00 O ATOM 717 CB VAL A 48 9.821 -0.122 3.311 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.886 -1.512 3.939 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.339 -0.281 1.871 1.00 0.00 C ATOM 0 H VAL A 48 9.783 2.637 3.701 1.00 0.00 H new ATOM 0 HA VAL A 48 7.863 0.388 3.951 1.00 0.00 H new ATOM 0 HB VAL A 48 10.811 0.332 3.349 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.575 -2.137 3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.236 -1.430 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.894 -1.963 3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.020 -0.938 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.338 -0.713 1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.314 0.695 1.386 1.00 0.00 H new ATOM 729 N HIS A 49 8.573 -0.055 6.310 1.00 0.00 N ATOM 730 CA HIS A 49 8.685 -0.133 7.756 1.00 0.00 C ATOM 731 C HIS A 49 8.889 -1.594 8.137 1.00 0.00 C ATOM 732 O HIS A 49 9.103 -2.431 7.266 1.00 0.00 O ATOM 733 CB HIS A 49 7.406 0.443 8.363 1.00 0.00 C ATOM 734 CG HIS A 49 7.079 1.820 7.848 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.355 3.023 8.504 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.469 2.090 6.660 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.906 3.984 7.682 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.375 3.458 6.565 1.00 0.00 N ATOM 0 H HIS A 49 7.967 -0.774 5.915 1.00 0.00 H new ATOM 0 HA HIS A 49 9.531 0.440 8.134 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.574 -0.227 8.147 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.510 0.482 9.447 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.126 1.369 5.933 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.964 5.042 7.891 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.974 3.980 5.786 1.00 0.00 H new ATOM 746 N LYS A 50 8.825 -1.923 9.428 1.00 0.00 N ATOM 747 CA LYS A 50 8.958 -3.311 9.840 1.00 0.00 C ATOM 748 C LYS A 50 7.615 -4.025 9.711 1.00 0.00 C ATOM 749 O LYS A 50 6.630 -3.634 10.335 1.00 0.00 O ATOM 750 CB LYS A 50 9.603 -3.430 11.229 1.00 0.00 C ATOM 751 CG LYS A 50 8.729 -2.987 12.414 1.00 0.00 C ATOM 752 CD LYS A 50 8.395 -1.493 12.450 1.00 0.00 C ATOM 753 CE LYS A 50 9.670 -0.654 12.492 1.00 0.00 C ATOM 754 NZ LYS A 50 9.360 0.783 12.623 1.00 0.00 N ATOM 0 H LYS A 50 8.685 -1.259 10.189 1.00 0.00 H new ATOM 0 HA LYS A 50 9.648 -3.823 9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.894 -4.469 11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.518 -2.838 11.236 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.797 -3.552 12.389 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.238 -3.252 13.341 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.807 -1.226 11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.781 -1.274 13.324 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.290 -0.973 13.330 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.249 -0.822 11.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.245 1.328 12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.788 1.090 11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.828 0.945 13.502 1.00 0.00 H new ATOM 768 N GLY A 51 7.584 -5.078 8.893 1.00 0.00 N ATOM 769 CA GLY A 51 6.403 -5.905 8.685 1.00 0.00 C ATOM 770 C GLY A 51 5.361 -5.268 7.762 1.00 0.00 C ATOM 771 O GLY A 51 4.400 -5.939 7.387 1.00 0.00 O ATOM 0 H GLY A 51 8.392 -5.382 8.350 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.710 -6.863 8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.942 -6.113 9.650 1.00 0.00 H new ATOM 775 N PHE A 52 5.520 -3.994 7.386 1.00 0.00 N ATOM 776 CA PHE A 52 4.578 -3.323 6.498 1.00 0.00 C ATOM 777 C PHE A 52 5.265 -2.234 5.675 1.00 0.00 C ATOM 778 O PHE A 52 6.397 -1.848 5.957 1.00 0.00 O ATOM 779 CB PHE A 52 3.418 -2.720 7.297 1.00 0.00 C ATOM 780 CG PHE A 52 3.825 -1.645 8.276 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.202 -1.993 9.581 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.819 -0.297 7.891 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.592 -1.003 10.492 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.206 0.695 8.802 1.00 0.00 C ATOM 785 CZ PHE A 52 4.598 0.341 10.102 1.00 0.00 C ATOM 0 H PHE A 52 6.299 -3.408 7.688 1.00 0.00 H new ATOM 0 HA PHE A 52 4.185 -4.073 5.811 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.691 -2.303 6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.915 -3.519 7.842 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.192 -3.029 9.885 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.516 -0.023 6.891 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.888 -1.277 11.494 1.00 0.00 H new ATOM 0 HE2 PHE A 52 4.203 1.733 8.503 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.904 1.105 10.801 1.00 0.00 H new ATOM 795 N ALA A 53 4.568 -1.736 4.654 1.00 0.00 N ATOM 796 CA ALA A 53 5.033 -0.635 3.819 1.00 0.00 C ATOM 797 C ALA A 53 3.850 0.222 3.364 1.00 0.00 C ATOM 798 O ALA A 53 2.695 -0.145 3.572 1.00 0.00 O ATOM 799 CB ALA A 53 5.797 -1.192 2.619 1.00 0.00 C ATOM 0 H ALA A 53 3.652 -2.093 4.382 1.00 0.00 H new ATOM 0 HA ALA A 53 5.704 -0.000 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.145 -0.369 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.653 -1.769 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.139 -1.837 2.036 1.00 0.00 H new ATOM 805 N PHE A 54 4.141 1.365 2.740 1.00 0.00 N ATOM 806 CA PHE A 54 3.131 2.286 2.242 1.00 0.00 C ATOM 807 C PHE A 54 3.528 2.828 0.871 1.00 0.00 C ATOM 808 O PHE A 54 4.710 3.048 0.601 1.00 0.00 O ATOM 809 CB PHE A 54 2.948 3.431 3.242 1.00 0.00 C ATOM 810 CG PHE A 54 1.941 3.144 4.329 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.574 3.135 4.013 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.353 2.895 5.646 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.380 2.890 5.007 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.401 2.637 6.639 1.00 0.00 C ATOM 815 CZ PHE A 54 0.035 2.640 6.320 1.00 0.00 C ATOM 0 H PHE A 54 5.097 1.676 2.567 1.00 0.00 H new ATOM 0 HA PHE A 54 2.186 1.754 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.910 3.654 3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.638 4.325 2.701 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.256 3.318 2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.404 2.902 5.894 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.432 2.894 4.762 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.718 2.435 7.651 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.698 2.449 7.090 1.00 0.00 H new ATOM 825 N VAL A 55 2.531 3.045 0.007 1.00 0.00 N ATOM 826 CA VAL A 55 2.727 3.587 -1.336 1.00 0.00 C ATOM 827 C VAL A 55 1.673 4.647 -1.603 1.00 0.00 C ATOM 828 O VAL A 55 0.506 4.448 -1.281 1.00 0.00 O ATOM 829 CB VAL A 55 2.634 2.471 -2.381 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.744 3.037 -3.797 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.769 1.477 -2.177 1.00 0.00 C ATOM 0 H VAL A 55 1.555 2.846 0.226 1.00 0.00 H new ATOM 0 HA VAL A 55 3.718 4.035 -1.404 1.00 0.00 H new ATOM 0 HB VAL A 55 1.668 1.981 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.675 2.224 -4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.934 3.746 -3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.701 3.545 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.698 0.685 -2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.725 1.990 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.698 1.043 -1.180 1.00 0.00 H new ATOM 841 N GLN A 56 2.080 5.769 -2.195 1.00 0.00 N ATOM 842 CA GLN A 56 1.195 6.891 -2.447 1.00 0.00 C ATOM 843 C GLN A 56 1.060 7.118 -3.949 1.00 0.00 C ATOM 844 O GLN A 56 2.063 7.192 -4.659 1.00 0.00 O ATOM 845 CB GLN A 56 1.777 8.108 -1.724 1.00 0.00 C ATOM 846 CG GLN A 56 0.858 9.329 -1.763 1.00 0.00 C ATOM 847 CD GLN A 56 -0.339 9.142 -0.843 1.00 0.00 C ATOM 848 OE1 GLN A 56 -0.194 9.041 0.372 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.533 9.094 -1.421 1.00 0.00 N ATOM 0 H GLN A 56 3.038 5.920 -2.512 1.00 0.00 H new ATOM 0 HA GLN A 56 0.190 6.701 -2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.976 7.844 -0.685 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.734 8.367 -2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.415 10.217 -1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.514 9.497 -2.784 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.613 9.182 -2.434 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.370 8.969 -0.852 1.00 0.00 H new ATOM 858 N TYR A 57 -0.180 7.228 -4.435 1.00 0.00 N ATOM 859 CA TYR A 57 -0.461 7.470 -5.846 1.00 0.00 C ATOM 860 C TYR A 57 -1.050 8.861 -6.052 1.00 0.00 C ATOM 861 O TYR A 57 -1.303 9.594 -5.095 1.00 0.00 O ATOM 862 CB TYR A 57 -1.432 6.415 -6.372 1.00 0.00 C ATOM 863 CG TYR A 57 -0.869 5.016 -6.392 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.286 4.747 -7.141 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.498 3.988 -5.675 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.829 3.460 -7.157 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.956 2.698 -5.684 1.00 0.00 C ATOM 868 CZ TYR A 57 0.213 2.433 -6.421 1.00 0.00 C ATOM 869 OH TYR A 57 0.746 1.188 -6.417 1.00 0.00 O ATOM 0 H TYR A 57 -1.016 7.151 -3.856 1.00 0.00 H new ATOM 0 HA TYR A 57 0.477 7.407 -6.397 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.331 6.425 -5.756 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.735 6.688 -7.383 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.757 5.537 -7.707 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.400 4.192 -5.117 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.719 3.255 -7.733 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.434 1.907 -5.126 1.00 0.00 H new ATOM 0 HH TYR A 57 1.298 1.066 -7.217 1.00 0.00 H new ATOM 879 N VAL A 58 -1.269 9.223 -7.319 1.00 0.00 N ATOM 880 CA VAL A 58 -1.850 10.507 -7.684 1.00 0.00 C ATOM 881 C VAL A 58 -3.343 10.527 -7.354 1.00 0.00 C ATOM 882 O VAL A 58 -3.881 11.589 -7.049 1.00 0.00 O ATOM 883 CB VAL A 58 -1.601 10.754 -9.175 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.306 12.019 -9.657 1.00 0.00 C ATOM 885 CG2 VAL A 58 -0.105 10.904 -9.438 1.00 0.00 C ATOM 0 H VAL A 58 -1.046 8.629 -8.118 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.381 11.307 -7.111 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.999 9.897 -9.718 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.108 12.164 -10.719 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.380 11.920 -9.498 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.934 12.878 -9.098 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.062 11.079 -10.501 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.282 11.747 -8.866 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.411 9.993 -9.135 1.00 0.00 H new ATOM 895 N ASN A 59 -4.016 9.372 -7.410 1.00 0.00 N ATOM 896 CA ASN A 59 -5.430 9.298 -7.070 1.00 0.00 C ATOM 897 C ASN A 59 -5.853 7.887 -6.663 1.00 0.00 C ATOM 898 O ASN A 59 -5.097 6.932 -6.831 1.00 0.00 O ATOM 899 CB ASN A 59 -6.278 9.820 -8.230 1.00 0.00 C ATOM 900 CG ASN A 59 -6.644 8.754 -9.246 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.823 8.469 -9.429 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.656 8.161 -9.904 1.00 0.00 N ATOM 0 H ASN A 59 -3.601 8.482 -7.687 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.597 9.934 -6.201 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.193 10.259 -7.831 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.735 10.619 -8.735 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.864 7.438 -10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.689 8.428 -9.721 1.00 0.00 H new ATOM 909 N GLU A 60 -7.068 7.757 -6.125 1.00 0.00 N ATOM 910 CA GLU A 60 -7.605 6.491 -5.644 1.00 0.00 C ATOM 911 C GLU A 60 -7.680 5.434 -6.744 1.00 0.00 C ATOM 912 O GLU A 60 -7.564 4.246 -6.451 1.00 0.00 O ATOM 913 CB GLU A 60 -8.990 6.750 -5.042 1.00 0.00 C ATOM 914 CG GLU A 60 -9.600 5.467 -4.469 1.00 0.00 C ATOM 915 CD GLU A 60 -10.977 5.705 -3.856 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.238 6.847 -3.415 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.767 4.731 -3.831 1.00 0.00 O ATOM 0 H GLU A 60 -7.711 8.541 -6.012 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.931 6.092 -4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.912 7.500 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.650 7.158 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.681 4.721 -5.260 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.933 5.057 -3.711 1.00 0.00 H new ATOM 924 N ARG A 61 -7.867 5.828 -8.010 1.00 0.00 N ATOM 925 CA ARG A 61 -7.940 4.861 -9.097 1.00 0.00 C ATOM 926 C ARG A 61 -6.650 4.046 -9.162 1.00 0.00 C ATOM 927 O ARG A 61 -6.677 2.840 -9.388 1.00 0.00 O ATOM 928 CB ARG A 61 -8.190 5.603 -10.412 1.00 0.00 C ATOM 929 CG ARG A 61 -8.008 4.733 -11.657 1.00 0.00 C ATOM 930 CD ARG A 61 -8.842 3.457 -11.571 1.00 0.00 C ATOM 931 NE ARG A 61 -8.786 2.705 -12.829 1.00 0.00 N ATOM 932 CZ ARG A 61 -9.344 1.503 -13.005 1.00 0.00 C ATOM 933 NH1 ARG A 61 -10.008 0.905 -12.017 1.00 0.00 N ATOM 934 NH2 ARG A 61 -9.239 0.889 -14.180 1.00 0.00 N ATOM 0 H ARG A 61 -7.969 6.801 -8.299 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.763 4.169 -8.922 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.204 6.003 -10.405 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.512 6.454 -10.473 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.296 5.299 -12.543 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.955 4.475 -11.772 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.477 2.834 -10.755 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.877 3.710 -11.340 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.292 3.124 -13.617 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.096 1.364 -11.111 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.428 -0.012 -12.167 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.733 1.335 -14.945 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.664 -0.028 -14.316 1.00 0.00 H new ATOM 948 N ASN A 62 -5.509 4.704 -8.959 1.00 0.00 N ATOM 949 CA ASN A 62 -4.233 4.018 -9.003 1.00 0.00 C ATOM 950 C ASN A 62 -4.053 3.125 -7.777 1.00 0.00 C ATOM 951 O ASN A 62 -3.318 2.141 -7.826 1.00 0.00 O ATOM 952 CB ASN A 62 -3.127 5.066 -9.099 1.00 0.00 C ATOM 953 CG ASN A 62 -3.041 5.641 -10.503 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.148 6.847 -10.692 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.849 4.773 -11.491 1.00 0.00 N ATOM 0 H ASN A 62 -5.449 5.703 -8.764 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.190 3.366 -9.876 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.318 5.867 -8.385 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.172 4.617 -8.827 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.785 5.103 -12.454 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.766 3.777 -11.286 1.00 0.00 H new ATOM 962 N ALA A 63 -4.725 3.462 -6.676 1.00 0.00 N ATOM 963 CA ALA A 63 -4.646 2.675 -5.456 1.00 0.00 C ATOM 964 C ALA A 63 -5.523 1.432 -5.568 1.00 0.00 C ATOM 965 O ALA A 63 -5.159 0.373 -5.059 1.00 0.00 O ATOM 966 CB ALA A 63 -5.052 3.555 -4.275 1.00 0.00 C ATOM 0 H ALA A 63 -5.331 4.279 -6.609 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.624 2.330 -5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.997 2.975 -3.353 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.377 4.408 -4.208 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.072 3.910 -4.420 1.00 0.00 H new ATOM 972 N ARG A 64 -6.677 1.552 -6.228 1.00 0.00 N ATOM 973 CA ARG A 64 -7.569 0.422 -6.459 1.00 0.00 C ATOM 974 C ARG A 64 -6.922 -0.571 -7.416 1.00 0.00 C ATOM 975 O ARG A 64 -7.233 -1.760 -7.368 1.00 0.00 O ATOM 976 CB ARG A 64 -8.886 0.915 -7.069 1.00 0.00 C ATOM 977 CG ARG A 64 -9.703 1.792 -6.118 1.00 0.00 C ATOM 978 CD ARG A 64 -10.315 0.982 -4.978 1.00 0.00 C ATOM 979 NE ARG A 64 -11.143 1.847 -4.131 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.609 1.521 -2.925 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.379 0.317 -2.409 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.312 2.410 -2.235 1.00 0.00 N ATOM 0 H ARG A 64 -7.015 2.433 -6.615 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.764 -0.067 -5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.669 1.479 -7.976 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.486 0.054 -7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.064 2.573 -5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.496 2.290 -6.675 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -10.919 0.170 -5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.525 0.525 -4.382 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.381 2.770 -4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.840 -0.370 -2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.741 0.080 -1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.492 3.334 -2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.672 2.169 -1.312 1.00 0.00 H new ATOM 996 N ALA A 65 -6.025 -0.094 -8.283 1.00 0.00 N ATOM 997 CA ALA A 65 -5.358 -0.960 -9.239 1.00 0.00 C ATOM 998 C ALA A 65 -4.222 -1.729 -8.570 1.00 0.00 C ATOM 999 O ALA A 65 -3.952 -2.872 -8.941 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.851 -0.101 -10.395 1.00 0.00 C ATOM 0 H ALA A 65 -5.749 0.886 -8.337 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.057 -1.702 -9.624 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.346 -0.734 -11.125 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.693 0.402 -10.871 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.151 0.644 -10.015 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.556 -1.122 -7.582 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.471 -1.790 -6.888 1.00 0.00 C ATOM 1008 C ALA A 66 -2.994 -2.728 -5.803 1.00 0.00 C ATOM 1009 O ALA A 66 -2.413 -3.783 -5.570 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.553 -0.726 -6.304 1.00 0.00 C ATOM 0 H ALA A 66 -3.753 -0.177 -7.253 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.916 -2.411 -7.590 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.729 -1.206 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.157 -0.106 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.115 -0.103 -5.608 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.094 -2.364 -5.139 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.725 -3.233 -4.152 1.00 0.00 C ATOM 1018 C VAL A 67 -5.258 -4.489 -4.831 1.00 0.00 C ATOM 1019 O VAL A 67 -5.234 -5.565 -4.238 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.861 -2.476 -3.454 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.743 -3.409 -2.622 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.282 -1.425 -2.507 1.00 0.00 C ATOM 0 H VAL A 67 -4.565 -1.469 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.988 -3.530 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.462 -2.015 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.535 -2.832 -2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.186 -4.165 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.138 -3.896 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.095 -0.891 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.662 -1.914 -1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.675 -0.719 -3.074 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.739 -4.372 -6.071 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.248 -5.520 -6.807 1.00 0.00 C ATOM 1034 C ALA A 68 -5.155 -6.204 -7.630 1.00 0.00 C ATOM 1035 O ALA A 68 -5.374 -7.296 -8.153 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.406 -5.063 -7.694 1.00 0.00 C ATOM 0 H ALA A 68 -5.784 -3.491 -6.582 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.604 -6.264 -6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.796 -5.915 -8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.197 -4.643 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.052 -4.304 -8.392 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.983 -5.571 -7.750 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.888 -6.096 -8.555 1.00 0.00 C ATOM 1044 C GLY A 69 -1.790 -6.769 -7.732 1.00 0.00 C ATOM 1045 O GLY A 69 -0.961 -7.475 -8.304 1.00 0.00 O ATOM 0 H GLY A 69 -3.773 -4.684 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.287 -6.815 -9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.450 -5.282 -9.132 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.766 -6.567 -6.408 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.675 -7.059 -5.569 1.00 0.00 C ATOM 1051 C GLU A 70 -1.170 -7.754 -4.304 1.00 0.00 C ATOM 1052 O GLU A 70 -0.423 -8.522 -3.704 1.00 0.00 O ATOM 1053 CB GLU A 70 0.225 -5.882 -5.184 1.00 0.00 C ATOM 1054 CG GLU A 70 1.038 -5.371 -6.371 1.00 0.00 C ATOM 1055 CD GLU A 70 2.168 -6.337 -6.725 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.075 -6.485 -5.878 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.128 -6.921 -7.831 1.00 0.00 O ATOM 0 H GLU A 70 -2.493 -6.065 -5.898 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.124 -7.801 -6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.387 -5.072 -4.788 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.902 -6.189 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.384 -5.240 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.454 -4.392 -6.135 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.410 -7.515 -3.873 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.923 -8.187 -2.688 1.00 0.00 C ATOM 1066 C ASP A 71 -2.942 -9.696 -2.924 1.00 0.00 C ATOM 1067 O ASP A 71 -3.626 -10.179 -3.826 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.327 -7.675 -2.366 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.912 -8.412 -1.165 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.207 -8.477 -0.133 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -6.058 -8.905 -1.286 1.00 0.00 O ATOM 0 H ASP A 71 -3.064 -6.872 -4.320 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.275 -7.973 -1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.290 -6.605 -2.159 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.975 -7.810 -3.232 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.190 -10.444 -2.112 1.00 0.00 N ATOM 1077 CA GLY A 72 -2.145 -11.897 -2.230 1.00 0.00 C ATOM 1078 C GLY A 72 -1.106 -12.327 -3.254 1.00 0.00 C ATOM 1079 O GLY A 72 -1.058 -13.498 -3.631 1.00 0.00 O ATOM 0 H GLY A 72 -1.606 -10.064 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.910 -12.337 -1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.126 -12.273 -2.522 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.267 -11.388 -3.705 1.00 0.00 N ATOM 1084 CA ARG A 73 0.878 -11.709 -4.533 1.00 0.00 C ATOM 1085 C ARG A 73 1.933 -12.300 -3.604 1.00 0.00 C ATOM 1086 O ARG A 73 1.782 -12.230 -2.387 1.00 0.00 O ATOM 1087 CB ARG A 73 1.370 -10.467 -5.279 1.00 0.00 C ATOM 1088 CG ARG A 73 2.153 -9.535 -4.353 1.00 0.00 C ATOM 1089 CD ARG A 73 3.647 -9.644 -4.627 1.00 0.00 C ATOM 1090 NE ARG A 73 3.959 -9.081 -5.944 1.00 0.00 N ATOM 1091 CZ ARG A 73 4.811 -9.573 -6.846 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.506 -10.686 -6.616 1.00 0.00 N ATOM 1093 NH2 ARG A 73 4.968 -8.937 -8.002 1.00 0.00 N ATOM 0 H ARG A 73 -0.370 -10.394 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 73 0.628 -12.432 -5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.002 -10.769 -6.114 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.519 -9.933 -5.701 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.824 -8.506 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.948 -9.790 -3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.206 -9.115 -3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.957 -10.688 -4.586 1.00 0.00 H new ATOM 0 HE ARG A 73 3.473 -8.221 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.394 -11.184 -5.733 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.150 -11.040 -7.323 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.441 -8.084 -8.191 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.616 -9.301 -8.701 1.00 0.00 H new ATOM 1107 N MET A 74 2.996 -12.879 -4.156 1.00 0.00 N ATOM 1108 CA MET A 74 4.008 -13.513 -3.338 1.00 0.00 C ATOM 1109 C MET A 74 5.311 -12.753 -3.481 1.00 0.00 C ATOM 1110 O MET A 74 5.846 -12.628 -4.579 1.00 0.00 O ATOM 1111 CB MET A 74 4.121 -14.985 -3.728 1.00 0.00 C ATOM 1112 CG MET A 74 4.991 -15.731 -2.717 1.00 0.00 C ATOM 1113 SD MET A 74 4.745 -17.521 -2.738 1.00 0.00 S ATOM 1114 CE MET A 74 3.086 -17.571 -2.009 1.00 0.00 C ATOM 0 H MET A 74 3.172 -12.919 -5.160 1.00 0.00 H new ATOM 0 HA MET A 74 3.737 -13.485 -2.283 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.129 -15.436 -3.769 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.552 -15.073 -4.725 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.039 -15.514 -2.921 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.776 -15.354 -1.717 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.658 -18.564 -2.145 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.150 -17.346 -0.944 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.451 -16.832 -2.498 1.00 0.00 H new ATOM 1124 N ILE A 75 5.819 -12.243 -2.357 1.00 0.00 N ATOM 1125 CA ILE A 75 7.063 -11.497 -2.341 1.00 0.00 C ATOM 1126 C ILE A 75 7.999 -12.096 -1.298 1.00 0.00 C ATOM 1127 O ILE A 75 7.584 -12.393 -0.182 1.00 0.00 O ATOM 1128 CB ILE A 75 6.764 -10.005 -2.141 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.023 -9.305 -3.480 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.594 -9.397 -1.011 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.697 -7.810 -3.453 1.00 0.00 C ATOM 0 H ILE A 75 5.378 -12.339 -1.442 1.00 0.00 H new ATOM 0 HA ILE A 75 7.584 -11.574 -3.296 1.00 0.00 H new ATOM 0 HB ILE A 75 5.726 -9.870 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.069 -9.437 -3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.427 -9.786 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.348 -8.340 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.373 -9.915 -0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.654 -9.502 -1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.902 -7.375 -4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.644 -7.672 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.312 -7.317 -2.700 1.00 0.00 H new ATOM 1143 N ALA A 76 9.269 -12.272 -1.674 1.00 0.00 N ATOM 1144 CA ALA A 76 10.267 -12.932 -0.843 1.00 0.00 C ATOM 1145 C ALA A 76 9.816 -14.326 -0.396 1.00 0.00 C ATOM 1146 O ALA A 76 10.365 -14.883 0.553 1.00 0.00 O ATOM 1147 CB ALA A 76 10.630 -12.033 0.335 1.00 0.00 C ATOM 0 H ALA A 76 9.632 -11.956 -2.573 1.00 0.00 H new ATOM 0 HA ALA A 76 11.165 -13.092 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.377 -12.529 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.035 -11.092 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.738 -11.835 0.930 1.00 0.00 H new ATOM 1153 N GLY A 77 8.818 -14.895 -1.082 1.00 0.00 N ATOM 1154 CA GLY A 77 8.280 -16.206 -0.759 1.00 0.00 C ATOM 1155 C GLY A 77 7.128 -16.131 0.241 1.00 0.00 C ATOM 1156 O GLY A 77 6.623 -17.166 0.670 1.00 0.00 O ATOM 0 H GLY A 77 8.364 -14.450 -1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.934 -16.689 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.074 -16.831 -0.349 1.00 0.00 H new ATOM 1160 N GLN A 78 6.710 -14.919 0.616 1.00 0.00 N ATOM 1161 CA GLN A 78 5.643 -14.706 1.576 1.00 0.00 C ATOM 1162 C GLN A 78 4.550 -13.829 0.961 1.00 0.00 C ATOM 1163 O GLN A 78 4.831 -12.773 0.397 1.00 0.00 O ATOM 1164 CB GLN A 78 6.282 -14.114 2.835 1.00 0.00 C ATOM 1165 CG GLN A 78 5.268 -13.644 3.877 1.00 0.00 C ATOM 1166 CD GLN A 78 5.457 -12.156 4.126 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.265 -11.355 3.085 1.00 0.00 O flip ATOM 1168 NE2 GLN A 78 5.773 -11.729 5.232 1.00 0.00 N flip ATOM 0 H GLN A 78 7.112 -14.055 0.253 1.00 0.00 H new ATOM 0 HA GLN A 78 5.142 -15.634 1.851 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.933 -14.862 3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.913 -13.272 2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.254 -13.840 3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.399 -14.199 4.806 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.912 -12.376 6.008 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.897 -10.727 5.375 1.00 0.00 H new ATOM 1177 N VAL A 79 3.296 -14.277 1.072 1.00 0.00 N ATOM 1178 CA VAL A 79 2.125 -13.587 0.532 1.00 0.00 C ATOM 1179 C VAL A 79 1.949 -12.229 1.207 1.00 0.00 C ATOM 1180 O VAL A 79 2.174 -12.107 2.409 1.00 0.00 O ATOM 1181 CB VAL A 79 0.882 -14.454 0.758 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.351 -13.811 0.132 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.062 -15.834 0.128 1.00 0.00 C ATOM 0 H VAL A 79 3.064 -15.148 1.550 1.00 0.00 H new ATOM 0 HA VAL A 79 2.265 -13.422 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 79 0.748 -14.547 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.220 -14.445 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.520 -12.833 0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.196 -13.694 -0.941 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.167 -16.432 0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.225 -15.726 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.922 -16.330 0.577 1.00 0.00 H new ATOM 1193 N LEU A 80 1.548 -11.217 0.435 1.00 0.00 N ATOM 1194 CA LEU A 80 1.289 -9.889 0.978 1.00 0.00 C ATOM 1195 C LEU A 80 -0.194 -9.691 1.265 1.00 0.00 C ATOM 1196 O LEU A 80 -1.046 -10.348 0.671 1.00 0.00 O ATOM 1197 CB LEU A 80 1.784 -8.801 0.023 1.00 0.00 C ATOM 1198 CG LEU A 80 3.253 -8.969 -0.367 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.690 -7.734 -1.150 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.147 -9.104 0.861 1.00 0.00 C ATOM 0 H LEU A 80 1.396 -11.296 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 80 1.837 -9.808 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.171 -8.811 -0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.647 -7.826 0.490 1.00 0.00 H new ATOM 0 HG LEU A 80 3.349 -9.876 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.737 -7.837 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.076 -7.635 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.569 -6.847 -0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.184 -9.222 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.055 -8.210 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.842 -9.977 1.439 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.495 -8.770 2.180 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.858 -8.364 2.488 1.00 0.00 C ATOM 1214 C ASP A 81 -1.958 -6.859 2.252 1.00 0.00 C ATOM 1215 O ASP A 81 -1.442 -6.065 3.038 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.206 -8.745 3.929 1.00 0.00 C ATOM 1217 CG ASP A 81 -2.452 -10.247 4.061 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -3.559 -10.681 3.667 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -1.542 -10.951 4.547 1.00 0.00 O ATOM 0 H ASP A 81 0.211 -8.282 2.732 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.576 -8.875 1.846 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.394 -8.447 4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.094 -8.199 4.248 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.621 -6.476 1.160 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.643 -5.099 0.689 1.00 0.00 C ATOM 1226 C ILE A 82 -4.075 -4.570 0.616 1.00 0.00 C ATOM 1227 O ILE A 82 -4.983 -5.272 0.171 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.934 -5.053 -0.665 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.456 -5.407 -0.449 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -2.038 -3.664 -1.294 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.192 -5.864 -1.744 1.00 0.00 C ATOM 0 H ILE A 82 -3.159 -7.118 0.578 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.118 -4.447 1.387 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.408 -5.765 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.076 -4.539 -0.059 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.373 -6.194 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.525 -3.661 -2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.087 -3.409 -1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.576 -2.930 -0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.238 -6.108 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.326 -6.747 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.130 -5.066 -2.484 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.272 -3.324 1.058 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.562 -2.646 1.054 1.00 0.00 C ATOM 1245 C ASN A 83 -5.332 -1.133 1.100 1.00 0.00 C ATOM 1246 O ASN A 83 -4.216 -0.689 1.370 1.00 0.00 O ATOM 1247 CB ASN A 83 -6.393 -3.117 2.256 1.00 0.00 C ATOM 1248 CG ASN A 83 -5.662 -2.936 3.578 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -5.018 -3.858 4.068 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -5.751 -1.751 4.172 1.00 0.00 N ATOM 0 H ASN A 83 -3.519 -2.750 1.436 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.113 -2.887 0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.331 -2.562 2.285 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.648 -4.169 2.127 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.276 -1.589 5.060 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.294 -1.003 3.740 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.367 -0.329 0.841 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.227 1.117 0.937 1.00 0.00 C ATOM 1259 C LEU A 84 -5.928 1.512 2.373 1.00 0.00 C ATOM 1260 O LEU A 84 -6.324 0.819 3.310 1.00 0.00 O ATOM 1261 CB LEU A 84 -7.497 1.832 0.472 1.00 0.00 C ATOM 1262 CG LEU A 84 -7.810 1.605 -1.005 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -8.990 2.496 -1.378 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -6.629 1.982 -1.889 1.00 0.00 C ATOM 0 H LEU A 84 -7.295 -0.653 0.568 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.404 1.417 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.340 1.489 1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.391 2.901 0.654 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.033 0.549 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.235 2.353 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.852 2.233 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.727 3.540 -1.205 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.886 1.808 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.389 3.035 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.765 1.373 -1.622 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.227 2.631 2.547 1.00 0.00 N ATOM 1277 CA ALA A 85 -4.856 3.124 3.864 1.00 0.00 C ATOM 1278 C ALA A 85 -6.074 3.616 4.653 1.00 0.00 C ATOM 1279 O ALA A 85 -5.922 4.109 5.768 1.00 0.00 O ATOM 1280 CB ALA A 85 -3.815 4.227 3.709 1.00 0.00 C ATOM 0 H ALA A 85 -4.903 3.217 1.778 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.428 2.302 4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.532 4.601 4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.934 3.828 3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.233 5.041 3.117 1.00 0.00 H new ATOM 1286 N ALA A 86 -7.277 3.489 4.084 1.00 0.00 N ATOM 1287 CA ALA A 86 -8.512 3.905 4.729 1.00 0.00 C ATOM 1288 C ALA A 86 -9.553 2.785 4.721 1.00 0.00 C ATOM 1289 O ALA A 86 -10.711 3.017 5.068 1.00 0.00 O ATOM 1290 CB ALA A 86 -9.035 5.160 4.032 1.00 0.00 C ATOM 0 H ALA A 86 -7.415 3.091 3.155 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.311 4.133 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.962 5.481 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.293 5.955 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.224 4.941 2.981 1.00 0.00 H new ATOM 1296 N GLU A 87 -9.155 1.569 4.327 1.00 0.00 N ATOM 1297 CA GLU A 87 -10.069 0.434 4.259 1.00 0.00 C ATOM 1298 C GLU A 87 -9.419 -0.833 4.823 1.00 0.00 C ATOM 1299 O GLU A 87 -9.131 -1.766 4.072 1.00 0.00 O ATOM 1300 CB GLU A 87 -10.536 0.204 2.819 1.00 0.00 C ATOM 1301 CG GLU A 87 -11.353 1.388 2.293 1.00 0.00 C ATOM 1302 CD GLU A 87 -11.970 1.098 0.928 1.00 0.00 C ATOM 1303 OE1 GLU A 87 -11.651 0.039 0.341 1.00 0.00 O ATOM 1304 OE2 GLU A 87 -12.766 1.948 0.467 1.00 0.00 O ATOM 0 H GLU A 87 -8.198 1.350 4.050 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.939 0.667 4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.670 0.045 2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.138 -0.703 2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.144 1.627 3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.712 2.267 2.221 1.00 0.00 H new ATOM 1311 N PRO A 88 -9.177 -0.887 6.141 1.00 0.00 N ATOM 1312 CA PRO A 88 -8.717 -2.075 6.839 1.00 0.00 C ATOM 1313 C PRO A 88 -9.864 -3.077 7.005 1.00 0.00 C ATOM 1314 O PRO A 88 -9.978 -3.733 8.041 1.00 0.00 O ATOM 1315 CB PRO A 88 -8.199 -1.565 8.184 1.00 0.00 C ATOM 1316 CG PRO A 88 -9.112 -0.371 8.461 1.00 0.00 C ATOM 1317 CD PRO A 88 -9.345 0.218 7.069 1.00 0.00 C ATOM 0 HA PRO A 88 -7.938 -2.608 6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.277 -2.324 8.963 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.151 -1.270 8.130 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.047 -0.679 8.930 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.642 0.350 9.130 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.343 0.649 6.988 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.635 1.018 6.858 1.00 0.00 H new ATOM 1325 N LYS A 89 -10.717 -3.188 5.979 1.00 0.00 N ATOM 1326 CA LYS A 89 -11.934 -3.995 5.983 1.00 0.00 C ATOM 1327 C LYS A 89 -11.752 -5.354 6.655 1.00 0.00 C ATOM 1328 O LYS A 89 -12.508 -5.706 7.557 1.00 0.00 O ATOM 1329 CB LYS A 89 -12.400 -4.201 4.536 1.00 0.00 C ATOM 1330 CG LYS A 89 -11.238 -4.446 3.557 1.00 0.00 C ATOM 1331 CD LYS A 89 -11.736 -5.092 2.268 1.00 0.00 C ATOM 1332 CE LYS A 89 -12.743 -4.189 1.551 1.00 0.00 C ATOM 1333 NZ LYS A 89 -13.210 -4.800 0.290 1.00 0.00 N ATOM 0 H LYS A 89 -10.570 -2.700 5.095 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.680 -3.453 6.564 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.084 -5.049 4.498 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.961 -3.324 4.213 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.746 -3.501 3.328 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.492 -5.088 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.891 -5.294 1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.201 -6.052 2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.595 -4.001 2.204 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.283 -3.223 1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.891 -4.164 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.399 -4.956 -0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.670 -5.710 0.495 1.00 0.00 H new ATOM 1347 N VAL A 90 -10.751 -6.112 6.208 1.00 0.00 N ATOM 1348 CA VAL A 90 -10.478 -7.466 6.668 1.00 0.00 C ATOM 1349 C VAL A 90 -8.985 -7.770 6.566 1.00 0.00 C ATOM 1350 O VAL A 90 -8.449 -8.539 7.360 1.00 0.00 O ATOM 1351 CB VAL A 90 -11.242 -8.453 5.775 1.00 0.00 C ATOM 1352 CG1 VAL A 90 -10.778 -9.892 6.010 1.00 0.00 C ATOM 1353 CG2 VAL A 90 -12.746 -8.387 6.031 1.00 0.00 C ATOM 0 H VAL A 90 -10.093 -5.790 5.498 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.793 -7.561 7.707 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.032 -8.163 4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.339 -10.566 5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.715 -9.973 5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.949 -10.164 7.052 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.257 -9.098 5.382 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.949 -8.635 7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.107 -7.380 5.821 1.00 0.00 H new ATOM 1363 N ASN A 91 -8.315 -7.161 5.583 1.00 0.00 N ATOM 1364 CA ASN A 91 -6.951 -7.502 5.225 1.00 0.00 C ATOM 1365 C ASN A 91 -5.918 -6.957 6.214 1.00 0.00 C ATOM 1366 O ASN A 91 -4.722 -7.086 5.967 1.00 0.00 O ATOM 1367 CB ASN A 91 -6.682 -7.001 3.806 1.00 0.00 C ATOM 1368 CG ASN A 91 -7.835 -7.315 2.862 1.00 0.00 C ATOM 1369 OD1 ASN A 91 -8.561 -6.421 2.441 1.00 0.00 O ATOM 1370 ND2 ASN A 91 -8.017 -8.587 2.524 1.00 0.00 N ATOM 0 H ASN A 91 -8.714 -6.414 5.015 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.846 -8.586 5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.514 -5.924 3.827 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -5.768 -7.459 3.427 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.779 -8.844 1.896 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.395 -9.307 2.892 1.00 0.00 H new ATOM 1377 N ARG A 92 -6.355 -6.352 7.327 1.00 0.00 N ATOM 1378 CA ARG A 92 -5.433 -5.832 8.331 1.00 0.00 C ATOM 1379 C ARG A 92 -4.749 -6.982 9.071 1.00 0.00 C ATOM 1380 O ARG A 92 -3.617 -6.822 9.524 1.00 0.00 O ATOM 1381 CB ARG A 92 -6.205 -4.945 9.312 1.00 0.00 C ATOM 1382 CG ARG A 92 -5.313 -4.401 10.439 1.00 0.00 C ATOM 1383 CD ARG A 92 -4.327 -3.340 9.938 1.00 0.00 C ATOM 1384 NE ARG A 92 -3.411 -2.924 11.002 1.00 0.00 N ATOM 1385 CZ ARG A 92 -3.673 -1.983 11.910 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -4.831 -1.331 11.910 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -2.763 -1.691 12.834 1.00 0.00 N ATOM 0 H ARG A 92 -7.341 -6.214 7.549 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.661 -5.238 7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.650 -4.110 8.770 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.025 -5.517 9.746 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.940 -3.971 11.220 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.759 -5.224 10.891 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.757 -3.737 9.098 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.877 -2.474 9.569 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.504 -3.389 11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.538 -1.547 11.207 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -5.013 -0.614 12.613 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.871 -2.186 12.845 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.957 -0.972 13.531 1.00 0.00 H new ATOM 1401 N GLY A 93 -5.422 -8.131 9.195 1.00 0.00 N ATOM 1402 CA GLY A 93 -4.869 -9.289 9.879 1.00 0.00 C ATOM 1403 C GLY A 93 -4.255 -8.889 11.213 1.00 0.00 C ATOM 1404 O GLY A 93 -4.852 -8.135 11.984 1.00 0.00 O ATOM 0 H GLY A 93 -6.361 -8.277 8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.653 -10.029 10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.112 -9.760 9.252 1.00 0.00 H new ATOM 1408 N LYS A 94 -3.051 -9.403 11.476 1.00 0.00 N ATOM 1409 CA LYS A 94 -2.317 -9.087 12.688 1.00 0.00 C ATOM 1410 C LYS A 94 -0.810 -9.248 12.499 1.00 0.00 C ATOM 1411 O LYS A 94 -0.047 -8.377 12.914 1.00 0.00 O ATOM 1412 CB LYS A 94 -2.809 -10.037 13.774 1.00 0.00 C ATOM 1413 CG LYS A 94 -2.001 -9.894 15.057 1.00 0.00 C ATOM 1414 CD LYS A 94 -2.154 -8.497 15.668 1.00 0.00 C ATOM 1415 CE LYS A 94 -1.383 -8.385 16.982 1.00 0.00 C ATOM 1416 NZ LYS A 94 0.072 -8.530 16.769 1.00 0.00 N ATOM 0 H LYS A 94 -2.565 -10.047 10.852 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.491 -8.046 12.959 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -3.860 -9.838 13.982 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.744 -11.064 13.416 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.326 -10.644 15.778 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.949 -10.087 14.848 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.791 -7.747 14.965 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.209 -8.286 15.843 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.590 -7.420 17.446 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.729 -9.152 17.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.578 -8.266 17.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.291 -9.518 16.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.373 -7.908 15.991 1.00 0.00 H new ATOM 1430 N ALA A 95 -0.377 -10.349 11.880 1.00 0.00 N ATOM 1431 CA ALA A 95 1.039 -10.657 11.746 1.00 0.00 C ATOM 1432 C ALA A 95 1.303 -11.537 10.525 1.00 0.00 C ATOM 1433 O ALA A 95 0.371 -12.062 9.916 1.00 0.00 O ATOM 1434 CB ALA A 95 1.485 -11.377 13.018 1.00 0.00 C ATOM 0 H ALA A 95 -0.996 -11.044 11.463 1.00 0.00 H new ATOM 0 HA ALA A 95 1.601 -9.733 11.607 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.545 -11.621 12.946 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.320 -10.730 13.879 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.909 -12.295 13.138 1.00 0.00 H new ATOM 1440 N GLY A 96 2.582 -11.695 10.178 1.00 0.00 N ATOM 1441 CA GLY A 96 2.998 -12.512 9.048 1.00 0.00 C ATOM 1442 C GLY A 96 2.809 -13.999 9.313 1.00 0.00 C ATOM 1443 O GLY A 96 2.928 -14.804 8.392 1.00 0.00 O ATOM 0 H GLY A 96 3.356 -11.257 10.677 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.426 -12.226 8.165 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.047 -12.315 8.826 1.00 0.00 H new ATOM 1447 N VAL A 97 2.512 -14.372 10.563 1.00 0.00 N ATOM 1448 CA VAL A 97 2.182 -15.742 10.921 1.00 0.00 C ATOM 1449 C VAL A 97 0.718 -15.803 11.337 1.00 0.00 C ATOM 1450 O VAL A 97 0.252 -14.981 12.127 1.00 0.00 O ATOM 1451 CB VAL A 97 3.146 -16.274 11.988 1.00 0.00 C ATOM 1452 CG1 VAL A 97 3.072 -15.464 13.284 1.00 0.00 C ATOM 1453 CG2 VAL A 97 2.839 -17.737 12.298 1.00 0.00 C ATOM 0 H VAL A 97 2.496 -13.725 11.351 1.00 0.00 H new ATOM 0 HA VAL A 97 2.307 -16.402 10.062 1.00 0.00 H new ATOM 0 HB VAL A 97 4.153 -16.180 11.582 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.771 -15.876 14.011 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.332 -14.425 13.079 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.060 -15.513 13.686 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.531 -18.101 13.057 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.817 -17.824 12.667 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.949 -18.332 11.391 1.00 0.00 H new ATOM 1463 N LYS A 98 -0.009 -16.786 10.797 1.00 0.00 N ATOM 1464 CA LYS A 98 -1.439 -16.939 11.026 1.00 0.00 C ATOM 1465 C LYS A 98 -1.767 -18.366 11.473 1.00 0.00 C ATOM 1466 O LYS A 98 -2.912 -18.801 11.375 1.00 0.00 O ATOM 1467 CB LYS A 98 -2.184 -16.538 9.752 1.00 0.00 C ATOM 1468 CG LYS A 98 -1.848 -15.090 9.375 1.00 0.00 C ATOM 1469 CD LYS A 98 -2.382 -14.774 7.984 1.00 0.00 C ATOM 1470 CE LYS A 98 -1.992 -13.349 7.593 1.00 0.00 C ATOM 1471 NZ LYS A 98 -2.491 -13.011 6.245 1.00 0.00 N ATOM 0 H LYS A 98 0.386 -17.500 10.185 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.764 -16.285 11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.910 -17.207 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.259 -16.642 9.902 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.283 -14.406 10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -0.769 -14.940 9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.980 -15.483 7.260 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.467 -14.882 7.967 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.397 -12.646 8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.907 -13.246 7.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.962 -12.196 5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.361 -13.826 5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.502 -12.772 6.299 1.00 0.00 H new ATOM 1485 N ARG A 99 -0.751 -19.085 11.964 1.00 0.00 N ATOM 1486 CA ARG A 99 -0.864 -20.463 12.424 1.00 0.00 C ATOM 1487 C ARG A 99 -0.851 -20.490 13.953 1.00 0.00 C ATOM 1488 O ARG A 99 -0.652 -19.457 14.589 1.00 0.00 O ATOM 1489 CB ARG A 99 0.292 -21.272 11.822 1.00 0.00 C ATOM 1490 CG ARG A 99 0.039 -22.782 11.773 1.00 0.00 C ATOM 1491 CD ARG A 99 -1.134 -23.118 10.857 1.00 0.00 C ATOM 1492 NE ARG A 99 -1.303 -24.571 10.743 1.00 0.00 N ATOM 1493 CZ ARG A 99 -2.193 -25.170 9.950 1.00 0.00 C ATOM 1494 NH1 ARG A 99 -3.018 -24.456 9.186 1.00 0.00 N ATOM 1495 NH2 ARG A 99 -2.258 -26.497 9.924 1.00 0.00 N ATOM 0 H ARG A 99 0.194 -18.710 12.052 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.803 -20.911 12.098 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.484 -20.914 10.811 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.194 -21.084 12.404 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.936 -23.292 11.421 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.164 -23.152 12.778 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.047 -22.670 11.248 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.966 -22.688 9.870 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.698 -25.165 11.310 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.975 -23.437 9.202 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -3.693 -24.928 8.585 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.630 -27.050 10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.936 -26.963 9.320 1.00 0.00 H new ATOM 1509 N SER A 100 -1.059 -21.666 14.548 1.00 0.00 N ATOM 1510 CA SER A 100 -1.018 -21.838 15.994 1.00 0.00 C ATOM 1511 C SER A 100 0.353 -21.503 16.580 1.00 0.00 C ATOM 1512 O SER A 100 0.467 -21.296 17.786 1.00 0.00 O ATOM 1513 CB SER A 100 -1.359 -23.292 16.314 1.00 0.00 C ATOM 1514 OG SER A 100 -2.682 -23.576 15.908 1.00 0.00 O ATOM 0 H SER A 100 -1.261 -22.525 14.036 1.00 0.00 H new ATOM 0 HA SER A 100 -1.738 -21.152 16.440 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.662 -23.958 15.806 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.251 -23.473 17.383 1.00 0.00 H new ATOM 0 HG SER A 100 -2.894 -24.510 16.114 1.00 0.00 H new ATOM 1520 N ALA A 101 1.387 -21.448 15.730 1.00 0.00 N ATOM 1521 CA ALA A 101 2.768 -21.212 16.135 1.00 0.00 C ATOM 1522 C ALA A 101 3.226 -22.175 17.240 1.00 0.00 C ATOM 1523 O ALA A 101 4.236 -21.927 17.897 1.00 0.00 O ATOM 1524 CB ALA A 101 2.955 -19.740 16.510 1.00 0.00 C ATOM 0 H ALA A 101 1.279 -21.569 14.723 1.00 0.00 H new ATOM 0 HA ALA A 101 3.418 -21.425 15.287 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.989 -19.570 16.812 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.720 -19.113 15.650 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.290 -19.488 17.336 1.00 0.00 H new ATOM 1530 N ALA A 102 2.484 -23.267 17.446 1.00 0.00 N ATOM 1531 CA ALA A 102 2.783 -24.254 18.467 1.00 0.00 C ATOM 1532 C ALA A 102 2.355 -25.656 18.026 1.00 0.00 C ATOM 1533 O ALA A 102 2.281 -26.570 18.845 1.00 0.00 O ATOM 1534 CB ALA A 102 2.090 -23.850 19.770 1.00 0.00 C ATOM 0 H ALA A 102 1.652 -23.486 16.898 1.00 0.00 H new ATOM 0 HA ALA A 102 3.861 -24.286 18.628 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.310 -24.587 20.543 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.453 -22.872 20.087 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.013 -23.803 19.610 1.00 0.00 H new ATOM 1540 N GLU A 103 2.067 -25.832 16.732 1.00 0.00 N ATOM 1541 CA GLU A 103 1.589 -27.099 16.190 1.00 0.00 C ATOM 1542 C GLU A 103 2.672 -28.181 16.181 1.00 0.00 C ATOM 1543 O GLU A 103 2.404 -29.316 15.784 1.00 0.00 O ATOM 1544 CB GLU A 103 1.025 -26.874 14.785 1.00 0.00 C ATOM 1545 CG GLU A 103 2.064 -26.262 13.842 1.00 0.00 C ATOM 1546 CD GLU A 103 1.564 -26.250 12.398 1.00 0.00 C ATOM 1547 OE1 GLU A 103 0.328 -26.257 12.208 1.00 0.00 O ATOM 1548 OE2 GLU A 103 2.426 -26.230 11.491 1.00 0.00 O ATOM 0 H GLU A 103 2.161 -25.095 16.033 1.00 0.00 H new ATOM 0 HA GLU A 103 0.798 -27.465 16.845 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.679 -27.824 14.377 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.157 -26.217 14.843 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.291 -25.244 14.159 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.993 -26.830 13.903 1.00 0.00 H new ATOM 1555 N MET A 104 3.888 -27.836 16.612 1.00 0.00 N ATOM 1556 CA MET A 104 5.010 -28.760 16.696 1.00 0.00 C ATOM 1557 C MET A 104 5.377 -29.068 18.150 1.00 0.00 C ATOM 1558 O MET A 104 6.379 -29.736 18.399 1.00 0.00 O ATOM 1559 CB MET A 104 6.204 -28.189 15.928 1.00 0.00 C ATOM 1560 CG MET A 104 5.872 -28.055 14.444 1.00 0.00 C ATOM 1561 SD MET A 104 7.215 -27.375 13.435 1.00 0.00 S ATOM 1562 CE MET A 104 7.233 -25.683 14.084 1.00 0.00 C ATOM 0 H MET A 104 4.119 -26.890 16.916 1.00 0.00 H new ATOM 0 HA MET A 104 4.718 -29.705 16.239 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.474 -27.215 16.336 1.00 0.00 H new ATOM 0 HB3 MET A 104 7.070 -28.839 16.056 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.602 -29.037 14.054 1.00 0.00 H new ATOM 0 HG3 MET A 104 4.994 -27.417 14.337 1.00 0.00 H new ATOM 0 HE1 MET A 104 7.804 -25.042 13.412 1.00 0.00 H new ATOM 0 HE2 MET A 104 6.211 -25.311 14.159 1.00 0.00 H new ATOM 0 HE3 MET A 104 7.695 -25.677 15.071 1.00 0.00 H new ATOM 1572 N TYR A 105 4.574 -28.585 19.107 1.00 0.00 N ATOM 1573 CA TYR A 105 4.841 -28.769 20.531 1.00 0.00 C ATOM 1574 C TYR A 105 3.583 -29.190 21.291 1.00 0.00 C ATOM 1575 O TYR A 105 3.623 -29.348 22.511 1.00 0.00 O ATOM 1576 CB TYR A 105 5.415 -27.476 21.110 1.00 0.00 C ATOM 1577 CG TYR A 105 6.589 -26.923 20.334 1.00 0.00 C ATOM 1578 CD1 TYR A 105 7.888 -27.385 20.594 1.00 0.00 C ATOM 1579 CD2 TYR A 105 6.375 -25.944 19.354 1.00 0.00 C ATOM 1580 CE1 TYR A 105 8.974 -26.872 19.869 1.00 0.00 C ATOM 1581 CE2 TYR A 105 7.454 -25.422 18.629 1.00 0.00 C ATOM 1582 CZ TYR A 105 8.759 -25.889 18.883 1.00 0.00 C ATOM 1583 OH TYR A 105 9.812 -25.384 18.176 1.00 0.00 O ATOM 0 H TYR A 105 3.723 -28.057 18.912 1.00 0.00 H new ATOM 0 HA TYR A 105 5.568 -29.573 20.645 1.00 0.00 H new ATOM 0 HB2 TYR A 105 4.627 -26.723 21.143 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.726 -27.657 22.139 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.052 -28.136 21.353 1.00 0.00 H new ATOM 0 HD2 TYR A 105 5.374 -25.591 19.157 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.974 -27.230 20.067 1.00 0.00 H new ATOM 0 HE2 TYR A 105 7.286 -24.664 17.878 1.00 0.00 H new ATOM 0 HH TYR A 105 9.487 -24.717 17.536 1.00 0.00 H new ATOM 1593 N GLY A 106 2.464 -29.372 20.582 1.00 0.00 N ATOM 1594 CA GLY A 106 1.197 -29.764 21.180 1.00 0.00 C ATOM 1595 C GLY A 106 0.102 -29.846 20.124 1.00 0.00 C ATOM 1596 O GLY A 106 0.355 -29.596 18.948 1.00 0.00 O ATOM 1597 OXT GLY A 106 -1.038 -30.161 20.419 1.00 0.00 O ATOM 0 H GLY A 106 2.419 -29.249 19.570 1.00 0.00 H new ATOM 0 HA2 GLY A 106 1.306 -30.730 21.673 1.00 0.00 H new ATOM 0 HA3 GLY A 106 0.914 -29.044 21.948 1.00 0.00 H new TER 1601 GLY A 106 ATOM 1602 O5' U B 1 3.205 -7.666 9.239 1.00 0.00 O ATOM 1603 C5' U B 1 2.572 -6.917 10.257 1.00 0.00 C ATOM 1604 C4' U B 1 2.050 -5.588 9.700 1.00 0.00 C ATOM 1605 O4' U B 1 1.254 -5.813 8.543 1.00 0.00 O ATOM 1606 C3' U B 1 1.136 -4.934 10.738 1.00 0.00 C ATOM 1607 O3' U B 1 1.075 -3.534 10.537 1.00 0.00 O ATOM 1608 C2' U B 1 -0.186 -5.626 10.416 1.00 0.00 C ATOM 1609 O2' U B 1 -1.310 -4.870 10.804 1.00 0.00 O ATOM 1610 C1' U B 1 -0.117 -5.788 8.900 1.00 0.00 C ATOM 1611 N1 U B 1 -0.827 -7.005 8.447 1.00 0.00 N ATOM 1612 C2 U B 1 -1.744 -6.880 7.416 1.00 0.00 C ATOM 1613 O2 U B 1 -1.984 -5.813 6.858 1.00 0.00 O ATOM 1614 N3 U B 1 -2.395 -8.042 7.032 1.00 0.00 N ATOM 1615 C4 U B 1 -2.243 -9.286 7.605 1.00 0.00 C ATOM 1616 O4 U B 1 -2.891 -10.250 7.198 1.00 0.00 O ATOM 1617 C5 U B 1 -1.285 -9.320 8.683 1.00 0.00 C ATOM 1618 C6 U B 1 -0.604 -8.213 9.048 1.00 0.00 C ATOM 0 H5' U B 1 3.275 -6.727 11.068 1.00 0.00 H new ATOM 0 H5'' U B 1 1.747 -7.491 10.679 1.00 0.00 H new ATOM 0 H4' U B 1 2.908 -4.960 9.460 1.00 0.00 H new ATOM 0 H3' U B 1 1.450 -5.043 11.776 1.00 0.00 H new ATOM 0 H2' U B 1 -0.307 -6.566 10.955 1.00 0.00 H new ATOM 0 HO2' U B 1 -1.145 -4.466 11.681 1.00 0.00 H new ATOM 0 HO5' U B 1 3.606 -7.056 8.585 1.00 0.00 H new ATOM 0 H1' U B 1 -0.619 -4.956 8.406 1.00 0.00 H new ATOM 0 H3 U B 1 -3.048 -7.969 6.252 1.00 0.00 H new ATOM 0 H5 U B 1 -1.109 -10.248 9.207 1.00 0.00 H new ATOM 0 H6 U B 1 0.134 -8.283 9.833 1.00 0.00 H new ATOM 1629 P U B 2 0.695 -2.550 11.757 1.00 0.00 P ATOM 1630 OP1 U B 2 1.944 -2.212 12.478 1.00 0.00 O ATOM 1631 OP2 U B 2 -0.432 -3.150 12.507 1.00 0.00 O ATOM 1632 O5' U B 2 0.134 -1.216 11.046 1.00 0.00 O ATOM 1633 C5' U B 2 1.016 -0.283 10.452 1.00 0.00 C ATOM 1634 C4' U B 2 0.294 1.032 10.147 1.00 0.00 C ATOM 1635 O4' U B 2 -0.581 0.906 9.037 1.00 0.00 O ATOM 1636 C3' U B 2 -0.542 1.514 11.341 1.00 0.00 C ATOM 1637 O3' U B 2 -0.274 2.875 11.633 1.00 0.00 O ATOM 1638 C2' U B 2 -1.970 1.377 10.818 1.00 0.00 C ATOM 1639 O2' U B 2 -2.871 2.293 11.410 1.00 0.00 O ATOM 1640 C1' U B 2 -1.754 1.635 9.339 1.00 0.00 C ATOM 1641 N1 U B 2 -2.909 1.216 8.515 1.00 0.00 N ATOM 1642 C2 U B 2 -3.549 2.196 7.771 1.00 0.00 C ATOM 1643 O2 U B 2 -3.186 3.371 7.764 1.00 0.00 O ATOM 1644 N3 U B 2 -4.635 1.785 7.022 1.00 0.00 N ATOM 1645 C4 U B 2 -5.129 0.496 6.950 1.00 0.00 C ATOM 1646 O4 U B 2 -6.105 0.243 6.248 1.00 0.00 O ATOM 1647 C5 U B 2 -4.401 -0.459 7.751 1.00 0.00 C ATOM 1648 C6 U B 2 -3.338 -0.081 8.498 1.00 0.00 C ATOM 0 H5' U B 2 1.427 -0.699 9.532 1.00 0.00 H new ATOM 0 H5'' U B 2 1.857 -0.095 11.120 1.00 0.00 H new ATOM 0 H4' U B 2 1.080 1.754 9.925 1.00 0.00 H new ATOM 0 H3' U B 2 -0.340 0.957 12.256 1.00 0.00 H new ATOM 0 H2' U B 2 -2.436 0.418 11.044 1.00 0.00 H new ATOM 0 HO2' U B 2 -2.367 2.990 11.880 1.00 0.00 H new ATOM 0 H1' U B 2 -1.652 2.697 9.115 1.00 0.00 H new ATOM 0 H3 U B 2 -5.116 2.497 6.472 1.00 0.00 H new ATOM 0 H5 U B 2 -4.710 -1.494 7.754 1.00 0.00 H new ATOM 0 H6 U B 2 -2.819 -0.819 9.092 1.00 0.00 H new ATOM 1659 P U B 3 0.967 3.320 12.561 1.00 0.00 P ATOM 1660 OP1 U B 3 1.545 2.107 13.184 1.00 0.00 O ATOM 1661 OP2 U B 3 0.498 4.427 13.425 1.00 0.00 O ATOM 1662 O5' U B 3 2.051 3.932 11.532 1.00 0.00 O ATOM 1663 C5' U B 3 3.169 3.180 11.105 1.00 0.00 C ATOM 1664 C4' U B 3 4.056 3.991 10.153 1.00 0.00 C ATOM 1665 O4' U B 3 3.447 4.085 8.878 1.00 0.00 O ATOM 1666 C3' U B 3 4.306 5.412 10.660 1.00 0.00 C ATOM 1667 O3' U B 3 5.612 5.806 10.279 1.00 0.00 O ATOM 1668 C2' U B 3 3.232 6.207 9.923 1.00 0.00 C ATOM 1669 O2' U B 3 3.606 7.554 9.702 1.00 0.00 O ATOM 1670 C1' U B 3 3.110 5.437 8.611 1.00 0.00 C ATOM 1671 N1 U B 3 1.744 5.539 8.055 1.00 0.00 N ATOM 1672 C2 U B 3 1.593 6.116 6.804 1.00 0.00 C ATOM 1673 O2 U B 3 2.545 6.529 6.145 1.00 0.00 O ATOM 1674 N3 U B 3 0.297 6.210 6.324 1.00 0.00 N ATOM 1675 C4 U B 3 -0.842 5.775 6.981 1.00 0.00 C ATOM 1676 O4 U B 3 -1.945 5.910 6.458 1.00 0.00 O ATOM 1677 C5 U B 3 -0.593 5.182 8.276 1.00 0.00 C ATOM 1678 C6 U B 3 0.665 5.081 8.762 1.00 0.00 C ATOM 0 H5' U B 3 2.830 2.273 10.605 1.00 0.00 H new ATOM 0 H5'' U B 3 3.752 2.868 11.971 1.00 0.00 H new ATOM 0 H4' U B 3 5.009 3.465 10.094 1.00 0.00 H new ATOM 0 H3' U B 3 4.251 5.542 11.741 1.00 0.00 H new ATOM 0 H2' U B 3 2.300 6.284 10.482 1.00 0.00 H new ATOM 0 HO2' U B 3 4.293 7.813 10.351 1.00 0.00 H new ATOM 0 H1' U B 3 3.784 5.858 7.865 1.00 0.00 H new ATOM 0 H3 U B 3 0.170 6.637 5.406 1.00 0.00 H new ATOM 0 H5 U B 3 -1.422 4.815 8.863 1.00 0.00 H new ATOM 0 H6 U B 3 0.822 4.629 9.730 1.00 0.00 H new ATOM 1689 P U B 4 6.466 6.819 11.192 1.00 0.00 P ATOM 1690 OP1 U B 4 6.801 6.133 12.463 1.00 0.00 O ATOM 1691 OP2 U B 4 5.771 8.125 11.225 1.00 0.00 O ATOM 1692 O5' U B 4 7.816 6.985 10.335 1.00 0.00 O ATOM 1693 C5' U B 4 8.685 5.885 10.157 1.00 0.00 C ATOM 1694 C4' U B 4 9.813 6.202 9.174 1.00 0.00 C ATOM 1695 O4' U B 4 9.283 6.520 7.892 1.00 0.00 O ATOM 1696 C3' U B 4 10.652 7.385 9.647 1.00 0.00 C ATOM 1697 O3' U B 4 12.002 7.224 9.252 1.00 0.00 O ATOM 1698 C2' U B 4 9.999 8.543 8.902 1.00 0.00 C ATOM 1699 O2' U B 4 10.911 9.600 8.671 1.00 0.00 O ATOM 1700 C1' U B 4 9.501 7.896 7.614 1.00 0.00 C ATOM 1701 N1 U B 4 8.270 8.577 7.154 1.00 0.00 N ATOM 1702 C2 U B 4 8.421 9.749 6.423 1.00 0.00 C ATOM 1703 O2 U B 4 9.518 10.224 6.135 1.00 0.00 O ATOM 1704 N3 U B 4 7.253 10.374 6.023 1.00 0.00 N ATOM 1705 C4 U B 4 5.970 9.911 6.247 1.00 0.00 C ATOM 1706 O4 U B 4 5.004 10.524 5.803 1.00 0.00 O ATOM 1707 C5 U B 4 5.904 8.694 7.017 1.00 0.00 C ATOM 1708 C6 U B 4 7.029 8.078 7.442 1.00 0.00 C ATOM 0 H5' U B 4 8.117 5.029 9.794 1.00 0.00 H new ATOM 0 H5'' U B 4 9.111 5.600 11.119 1.00 0.00 H new ATOM 0 H4' U B 4 10.442 5.313 9.116 1.00 0.00 H new ATOM 0 H3' U B 4 10.677 7.515 10.729 1.00 0.00 H new ATOM 0 H2' U B 4 9.192 9.015 9.463 1.00 0.00 H new ATOM 0 HO2' U B 4 10.692 10.042 7.824 1.00 0.00 H new ATOM 0 H1' U B 4 10.229 7.989 6.808 1.00 0.00 H new ATOM 0 H3 U B 4 7.347 11.255 5.518 1.00 0.00 H new ATOM 0 H5 U B 4 4.941 8.268 7.258 1.00 0.00 H new ATOM 0 H6 U B 4 6.947 7.171 8.022 1.00 0.00 H new ATOM 1719 P C B 5 13.003 6.289 10.102 1.00 0.00 P ATOM 1720 OP1 C B 5 14.311 6.264 9.410 1.00 0.00 O ATOM 1721 OP2 C B 5 12.310 5.015 10.413 1.00 0.00 O ATOM 1722 O5' C B 5 13.167 7.114 11.475 1.00 0.00 O ATOM 1723 C5' C B 5 13.980 8.268 11.536 1.00 0.00 C ATOM 1724 C4' C B 5 13.826 8.934 12.902 1.00 0.00 C ATOM 1725 O4' C B 5 14.378 8.154 13.947 1.00 0.00 O ATOM 1726 C3' C B 5 14.588 10.252 12.980 1.00 0.00 C ATOM 1727 O3' C B 5 13.924 11.317 12.326 1.00 0.00 O ATOM 1728 C2' C B 5 14.652 10.450 14.494 1.00 0.00 C ATOM 1729 O2' C B 5 13.474 11.077 14.965 1.00 0.00 O ATOM 1730 C1' C B 5 14.671 9.019 15.034 1.00 0.00 C ATOM 1731 N1 C B 5 15.977 8.715 15.672 1.00 0.00 N ATOM 1732 C2 C B 5 17.081 8.405 14.879 1.00 0.00 C ATOM 1733 O2 C B 5 17.011 8.388 13.651 1.00 0.00 O ATOM 1734 N3 C B 5 18.262 8.114 15.492 1.00 0.00 N ATOM 1735 C4 C B 5 18.362 8.138 16.823 1.00 0.00 C ATOM 1736 N4 C B 5 19.538 7.845 17.371 1.00 0.00 N ATOM 1737 C5 C B 5 17.248 8.467 17.653 1.00 0.00 C ATOM 1738 C6 C B 5 16.080 8.749 17.036 1.00 0.00 C ATOM 0 H5' C B 5 13.698 8.965 10.747 1.00 0.00 H new ATOM 0 H5'' C B 5 15.023 7.999 11.367 1.00 0.00 H new ATOM 0 H4' C B 5 12.750 9.067 13.016 1.00 0.00 H new ATOM 0 H3' C B 5 15.557 10.234 12.481 1.00 0.00 H new ATOM 0 H2' C B 5 15.502 11.063 14.794 1.00 0.00 H new ATOM 0 HO2' C B 5 13.079 11.613 14.246 1.00 0.00 H new ATOM 0 HO3' C B 5 14.457 12.135 12.410 1.00 0.00 H new ATOM 0 H1' C B 5 13.923 8.881 15.814 1.00 0.00 H new ATOM 0 H41 C B 5 19.645 7.855 18.385 1.00 0.00 H new ATOM 0 H42 C B 5 20.333 7.610 16.777 1.00 0.00 H new ATOM 0 H5 C B 5 17.336 8.489 18.729 1.00 0.00 H new ATOM 0 H6 C B 5 15.214 9.005 17.628 1.00 0.00 H new TER 1750 C B 5