USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 MET CE :methyl -128:sc= -0.154 (180deg=-0.848) USER MOD Set 1.2: A 57 MET CE :methyl 157:sc= -1.37 (180deg=-2.4) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 161:sc= 1.33 (180deg=-0.13) USER MOD Set 2.2: A 44 THR OG1 : rot 91:sc= 1.71 USER MOD Single : A 1 GLY N :NH3+ 163:sc= 0.747 (180deg=0.494) USER MOD Single : A 8 LYS NZ :NH3+ -134:sc= 0.732 (180deg=-3.14!) USER MOD Single : A 12 MET CE :methyl 172:sc= -0.0322 (180deg=-0.178) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.16) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 150:sc= -0.237 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 74:sc= 1.15 USER MOD Single : A 24 LYS NZ :NH3+ -129:sc= -0.0113 (180deg=-1.66!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.11) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0108 K(o=-0.011,f=-0.87) USER MOD Single : A 41 GLN : amide:sc= 0.188 X(o=0.19,f=-0.22) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0932 USER MOD Single : A 48 GLN : amide:sc=-0.00422 K(o=-0.0042,f=-1.1) USER MOD Single : A 50 HIS : no HE2:sc= -0.116 K(o=-0.12,f=-2.6!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 145:sc= 1.11 (180deg=1.07) USER MOD Single : A 60 GLN : amide:sc= 1.05 K(o=1.1,f=-0.19) USER MOD Single : A 64 MET CE :methyl -143:sc= 0 (180deg=-0.304) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -129:sc= 0.137 (180deg=-1.53!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.293 -0.546 12.714 1.00 0.00 N ATOM 2 CA GLY A 1 5.763 0.545 13.549 1.00 0.00 C ATOM 3 C GLY A 1 4.246 0.433 13.630 1.00 0.00 C ATOM 4 O GLY A 1 3.743 -0.448 14.321 1.00 0.00 O ATOM 0 H1 GLY A 1 7.264 -0.318 12.420 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.295 -1.431 13.260 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.694 -0.660 11.871 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.196 0.495 14.548 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.045 1.510 13.127 1.00 0.00 H new ATOM 10 N GLU A 2 3.533 1.255 12.851 1.00 0.00 N ATOM 11 CA GLU A 2 2.135 1.008 12.529 1.00 0.00 C ATOM 12 C GLU A 2 2.024 -0.279 11.692 1.00 0.00 C ATOM 13 O GLU A 2 3.025 -0.964 11.461 1.00 0.00 O ATOM 14 CB GLU A 2 1.543 2.226 11.820 1.00 0.00 C ATOM 15 CG GLU A 2 1.700 3.534 12.607 1.00 0.00 C ATOM 16 CD GLU A 2 0.963 3.548 13.944 1.00 0.00 C ATOM 17 OE1 GLU A 2 0.006 2.758 14.090 1.00 0.00 O ATOM 18 OE2 GLU A 2 1.362 4.375 14.788 1.00 0.00 O ATOM 0 H GLU A 2 3.912 2.104 12.431 1.00 0.00 H new ATOM 0 HA GLU A 2 1.555 0.857 13.439 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.022 2.338 10.847 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.484 2.048 11.635 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.760 3.713 12.787 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.337 4.360 11.995 1.00 0.00 H new ATOM 25 N VAL A 3 0.818 -0.624 11.239 1.00 0.00 N ATOM 26 CA VAL A 3 0.530 -1.964 10.745 1.00 0.00 C ATOM 27 C VAL A 3 0.892 -2.010 9.270 1.00 0.00 C ATOM 28 O VAL A 3 0.541 -1.097 8.520 1.00 0.00 O ATOM 29 CB VAL A 3 -0.944 -2.324 10.957 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.230 -3.784 10.589 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.369 -2.123 12.417 1.00 0.00 C ATOM 0 H VAL A 3 0.022 0.013 11.206 1.00 0.00 H new ATOM 0 HA VAL A 3 1.119 -2.696 11.297 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.510 -1.658 10.306 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.286 -4.000 10.753 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.984 -3.950 9.540 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.624 -4.442 11.212 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.420 -2.388 12.530 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.763 -2.758 13.063 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.226 -1.079 12.697 1.00 0.00 H new ATOM 41 N VAL A 4 1.598 -3.069 8.872 1.00 0.00 N ATOM 42 CA VAL A 4 2.129 -3.258 7.555 1.00 0.00 C ATOM 43 C VAL A 4 1.298 -4.295 6.790 1.00 0.00 C ATOM 44 O VAL A 4 1.209 -5.465 7.165 1.00 0.00 O ATOM 45 CB VAL A 4 3.627 -3.515 7.645 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.960 -4.689 8.526 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.163 -3.774 6.255 1.00 0.00 C ATOM 0 H VAL A 4 1.815 -3.843 9.500 1.00 0.00 H new ATOM 0 HA VAL A 4 2.039 -2.357 6.949 1.00 0.00 H new ATOM 0 HB VAL A 4 4.087 -2.632 8.088 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.041 -4.827 8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.591 -4.503 9.535 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.490 -5.588 8.128 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.236 -3.959 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.665 -4.645 5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.975 -2.905 5.625 1.00 0.00 H new ATOM 57 N LEU A 5 0.660 -3.842 5.714 1.00 0.00 N ATOM 58 CA LEU A 5 -0.189 -4.658 4.869 1.00 0.00 C ATOM 59 C LEU A 5 0.627 -4.981 3.629 1.00 0.00 C ATOM 60 O LEU A 5 1.304 -4.094 3.100 1.00 0.00 O ATOM 61 CB LEU A 5 -1.438 -3.868 4.469 1.00 0.00 C ATOM 62 CG LEU A 5 -2.514 -3.707 5.555 1.00 0.00 C ATOM 63 CD1 LEU A 5 -3.180 -5.025 5.947 1.00 0.00 C ATOM 64 CD2 LEU A 5 -1.978 -3.016 6.811 1.00 0.00 C ATOM 0 H LEU A 5 0.725 -2.873 5.403 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.510 -5.563 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.126 -2.875 4.145 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.891 -4.357 3.607 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.272 -3.071 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.929 -4.839 6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.660 -5.464 5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.427 -5.713 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.777 -2.927 7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.163 -3.605 7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.611 -2.023 6.552 1.00 0.00 H new ATOM 76 N LYS A 6 0.568 -6.239 3.180 1.00 0.00 N ATOM 77 CA LYS A 6 1.280 -6.703 2.007 1.00 0.00 C ATOM 78 C LYS A 6 0.233 -7.077 0.956 1.00 0.00 C ATOM 79 O LYS A 6 -0.562 -8.000 1.169 1.00 0.00 O ATOM 80 CB LYS A 6 2.170 -7.893 2.397 1.00 0.00 C ATOM 81 CG LYS A 6 3.584 -7.791 1.831 1.00 0.00 C ATOM 82 CD LYS A 6 4.481 -6.897 2.691 1.00 0.00 C ATOM 83 CE LYS A 6 5.926 -7.019 2.186 1.00 0.00 C ATOM 84 NZ LYS A 6 6.820 -6.029 2.810 1.00 0.00 N ATOM 0 H LYS A 6 0.014 -6.965 3.634 1.00 0.00 H new ATOM 0 HA LYS A 6 1.935 -5.936 1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.223 -7.959 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.709 -8.815 2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.021 -8.787 1.765 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.541 -7.394 0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.147 -5.861 2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.420 -7.195 3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.298 -8.023 2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.943 -6.890 1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.808 -6.336 2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.692 -5.106 2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.592 -5.945 3.821 1.00 0.00 H new ATOM 98 N MET A 7 0.214 -6.342 -0.154 1.00 0.00 N ATOM 99 CA MET A 7 -0.680 -6.572 -1.270 1.00 0.00 C ATOM 100 C MET A 7 0.127 -6.897 -2.520 1.00 0.00 C ATOM 101 O MET A 7 1.063 -6.177 -2.855 1.00 0.00 O ATOM 102 CB MET A 7 -1.602 -5.367 -1.472 1.00 0.00 C ATOM 103 CG MET A 7 -0.935 -4.014 -1.274 1.00 0.00 C ATOM 104 SD MET A 7 -1.939 -2.582 -1.736 1.00 0.00 S ATOM 105 CE MET A 7 -2.845 -2.315 -0.197 1.00 0.00 C ATOM 0 H MET A 7 0.840 -5.550 -0.299 1.00 0.00 H new ATOM 0 HA MET A 7 -1.318 -7.430 -1.057 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.016 -5.409 -2.480 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.440 -5.448 -0.780 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.653 -3.916 -0.226 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.013 -3.993 -1.855 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.913 -2.264 -0.408 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.649 -3.140 0.488 1.00 0.00 H new ATOM 0 HE3 MET A 7 -2.520 -1.380 0.259 1.00 0.00 H new ATOM 115 N LYS A 8 -0.239 -7.981 -3.207 1.00 0.00 N ATOM 116 CA LYS A 8 0.432 -8.346 -4.446 1.00 0.00 C ATOM 117 C LYS A 8 -0.136 -7.483 -5.558 1.00 0.00 C ATOM 118 O LYS A 8 -1.353 -7.469 -5.711 1.00 0.00 O ATOM 119 CB LYS A 8 0.269 -9.825 -4.791 1.00 0.00 C ATOM 120 CG LYS A 8 1.127 -10.691 -3.877 1.00 0.00 C ATOM 121 CD LYS A 8 0.432 -11.007 -2.553 1.00 0.00 C ATOM 122 CE LYS A 8 1.358 -11.841 -1.657 1.00 0.00 C ATOM 123 NZ LYS A 8 2.099 -10.948 -0.750 1.00 0.00 N ATOM 0 H LYS A 8 -0.989 -8.613 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 8 1.502 -8.177 -4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.778 -10.112 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.551 -9.994 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.371 -11.623 -4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.069 -10.181 -3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.160 -10.081 -2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.493 -11.552 -2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.774 -12.559 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.054 -12.414 -2.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.103 -11.218 -0.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.007 -9.966 -1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.710 -11.029 0.211 1.00 0.00 H new ATOM 137 N VAL A 9 0.706 -6.765 -6.299 1.00 0.00 N ATOM 138 CA VAL A 9 0.283 -5.929 -7.407 1.00 0.00 C ATOM 139 C VAL A 9 0.835 -6.536 -8.688 1.00 0.00 C ATOM 140 O VAL A 9 1.972 -6.986 -8.706 1.00 0.00 O ATOM 141 CB VAL A 9 0.776 -4.489 -7.224 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.057 -3.817 -6.052 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.296 -4.391 -7.054 1.00 0.00 C ATOM 0 H VAL A 9 1.713 -6.751 -6.140 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.805 -5.889 -7.453 1.00 0.00 H new ATOM 0 HB VAL A 9 0.532 -3.959 -8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.421 -2.796 -5.939 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.016 -3.800 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.253 -4.375 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.582 -3.347 -6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.601 -4.958 -6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.788 -4.798 -7.937 1.00 0.00 H new ATOM 153 N GLU A 10 0.043 -6.523 -9.752 1.00 0.00 N ATOM 154 CA GLU A 10 0.459 -7.053 -11.045 1.00 0.00 C ATOM 155 C GLU A 10 0.807 -5.900 -11.986 1.00 0.00 C ATOM 156 O GLU A 10 0.361 -4.769 -11.791 1.00 0.00 O ATOM 157 CB GLU A 10 -0.637 -7.966 -11.616 1.00 0.00 C ATOM 158 CG GLU A 10 -0.951 -9.141 -10.673 1.00 0.00 C ATOM 159 CD GLU A 10 0.265 -10.020 -10.400 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.953 -10.375 -11.387 1.00 0.00 O ATOM 161 OE2 GLU A 10 0.510 -10.316 -9.210 1.00 0.00 O ATOM 0 H GLU A 10 -0.905 -6.146 -9.744 1.00 0.00 H new ATOM 0 HA GLU A 10 1.355 -7.662 -10.928 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.543 -7.384 -11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.320 -8.352 -12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.332 -8.752 -9.729 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.743 -9.750 -11.109 1.00 0.00 H new ATOM 168 N GLY A 11 1.635 -6.167 -12.999 1.00 0.00 N ATOM 169 CA GLY A 11 1.939 -5.211 -14.063 1.00 0.00 C ATOM 170 C GLY A 11 2.941 -4.122 -13.662 1.00 0.00 C ATOM 171 O GLY A 11 3.698 -3.646 -14.508 1.00 0.00 O ATOM 0 H GLY A 11 2.116 -7.060 -13.103 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.334 -5.754 -14.922 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.012 -4.736 -14.385 1.00 0.00 H new ATOM 175 N MET A 12 2.940 -3.697 -12.395 1.00 0.00 N ATOM 176 CA MET A 12 3.832 -2.662 -11.890 1.00 0.00 C ATOM 177 C MET A 12 5.294 -3.126 -11.884 1.00 0.00 C ATOM 178 O MET A 12 5.841 -3.518 -10.856 1.00 0.00 O ATOM 179 CB MET A 12 3.395 -2.226 -10.495 1.00 0.00 C ATOM 180 CG MET A 12 2.048 -1.492 -10.505 1.00 0.00 C ATOM 181 SD MET A 12 1.313 -1.160 -8.880 1.00 0.00 S ATOM 182 CE MET A 12 2.686 -0.347 -8.038 1.00 0.00 C ATOM 0 H MET A 12 2.309 -4.070 -11.686 1.00 0.00 H new ATOM 0 HA MET A 12 3.768 -1.807 -12.562 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.323 -3.102 -9.850 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.157 -1.575 -10.066 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.178 -0.542 -11.024 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.340 -2.080 -11.089 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.345 0.044 -7.079 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.488 -1.066 -7.872 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.056 0.473 -8.653 1.00 0.00 H new ATOM 192 N THR A 13 5.924 -3.051 -13.049 1.00 0.00 N ATOM 193 CA THR A 13 7.293 -3.460 -13.310 1.00 0.00 C ATOM 194 C THR A 13 8.101 -2.242 -13.770 1.00 0.00 C ATOM 195 O THR A 13 8.558 -2.181 -14.910 1.00 0.00 O ATOM 196 CB THR A 13 7.267 -4.601 -14.335 1.00 0.00 C ATOM 197 OG1 THR A 13 6.317 -5.573 -13.938 1.00 0.00 O ATOM 198 CG2 THR A 13 8.626 -5.290 -14.462 1.00 0.00 C ATOM 0 H THR A 13 5.465 -2.682 -13.882 1.00 0.00 H new ATOM 0 HA THR A 13 7.784 -3.838 -12.413 1.00 0.00 H new ATOM 0 HB THR A 13 7.006 -4.163 -15.298 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.300 -6.301 -14.594 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.560 -6.091 -15.198 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.374 -4.564 -14.781 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.914 -5.707 -13.497 1.00 0.00 H new ATOM 206 N CYS A 14 8.267 -1.261 -12.880 1.00 0.00 N ATOM 207 CA CYS A 14 8.934 0.003 -13.147 1.00 0.00 C ATOM 208 C CYS A 14 9.131 0.691 -11.798 1.00 0.00 C ATOM 209 O CYS A 14 8.541 0.266 -10.806 1.00 0.00 O ATOM 210 CB CYS A 14 8.040 0.861 -14.054 1.00 0.00 C ATOM 211 SG CYS A 14 6.399 1.124 -13.337 1.00 0.00 S ATOM 0 H CYS A 14 7.926 -1.333 -11.921 1.00 0.00 H new ATOM 0 HA CYS A 14 9.891 -0.144 -13.647 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.518 1.825 -14.227 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.938 0.377 -15.025 1.00 0.00 H new ATOM 216 N HIS A 15 9.920 1.768 -11.770 1.00 0.00 N ATOM 217 CA HIS A 15 10.012 2.652 -10.612 1.00 0.00 C ATOM 218 C HIS A 15 9.050 3.844 -10.728 1.00 0.00 C ATOM 219 O HIS A 15 9.083 4.741 -9.888 1.00 0.00 O ATOM 220 CB HIS A 15 11.467 3.091 -10.395 1.00 0.00 C ATOM 221 CG HIS A 15 12.232 2.118 -9.533 1.00 0.00 C ATOM 222 ND1 HIS A 15 12.235 2.103 -8.155 1.00 0.00 N ATOM 223 CD2 HIS A 15 12.995 1.066 -9.962 1.00 0.00 C ATOM 224 CE1 HIS A 15 13.003 1.072 -7.765 1.00 0.00 C ATOM 225 NE2 HIS A 15 13.491 0.413 -8.829 1.00 0.00 N ATOM 0 H HIS A 15 10.512 2.049 -12.551 1.00 0.00 H new ATOM 0 HA HIS A 15 9.698 2.097 -9.728 1.00 0.00 H new ATOM 0 HB2 HIS A 15 11.964 3.187 -11.360 1.00 0.00 H new ATOM 0 HB3 HIS A 15 11.482 4.076 -9.929 1.00 0.00 H new ATOM 0 HD2 HIS A 15 13.181 0.790 -10.990 1.00 0.00 H new ATOM 0 HE1 HIS A 15 13.201 0.809 -6.736 1.00 0.00 H new ATOM 0 HE2 HIS A 15 14.103 -0.403 -8.814 1.00 0.00 H new ATOM 233 N SER A 16 8.205 3.879 -11.763 1.00 0.00 N ATOM 234 CA SER A 16 7.332 5.016 -12.026 1.00 0.00 C ATOM 235 C SER A 16 6.043 4.874 -11.216 1.00 0.00 C ATOM 236 O SER A 16 5.782 5.662 -10.307 1.00 0.00 O ATOM 237 CB SER A 16 7.079 5.139 -13.536 1.00 0.00 C ATOM 238 OG SER A 16 6.399 6.346 -13.815 1.00 0.00 O ATOM 0 H SER A 16 8.111 3.120 -12.438 1.00 0.00 H new ATOM 0 HA SER A 16 7.810 5.942 -11.707 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.026 5.112 -14.075 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.490 4.291 -13.885 1.00 0.00 H new ATOM 0 HG SER A 16 6.243 6.418 -14.780 1.00 0.00 H new ATOM 244 N CYS A 17 5.243 3.855 -11.536 1.00 0.00 N ATOM 245 CA CYS A 17 3.976 3.578 -10.889 1.00 0.00 C ATOM 246 C CYS A 17 4.172 3.396 -9.386 1.00 0.00 C ATOM 247 O CYS A 17 3.447 3.990 -8.591 1.00 0.00 O ATOM 248 CB CYS A 17 3.339 2.348 -11.544 1.00 0.00 C ATOM 249 SG CYS A 17 3.105 2.504 -13.339 1.00 0.00 S ATOM 0 H CYS A 17 5.472 3.187 -12.272 1.00 0.00 H new ATOM 0 HA CYS A 17 3.298 4.422 -11.017 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.964 1.478 -11.344 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.372 2.160 -11.077 1.00 0.00 H new ATOM 254 N THR A 18 5.173 2.604 -8.995 1.00 0.00 N ATOM 255 CA THR A 18 5.511 2.375 -7.600 1.00 0.00 C ATOM 256 C THR A 18 5.685 3.713 -6.878 1.00 0.00 C ATOM 257 O THR A 18 4.924 4.020 -5.966 1.00 0.00 O ATOM 258 CB THR A 18 6.772 1.505 -7.518 1.00 0.00 C ATOM 259 OG1 THR A 18 7.822 2.146 -8.207 1.00 0.00 O ATOM 260 CG2 THR A 18 6.563 0.137 -8.178 1.00 0.00 C ATOM 0 H THR A 18 5.774 2.102 -9.649 1.00 0.00 H new ATOM 0 HA THR A 18 4.703 1.841 -7.101 1.00 0.00 H new ATOM 0 HB THR A 18 7.004 1.364 -6.462 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.678 1.905 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.479 -0.449 -8.099 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.751 -0.389 -7.676 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.310 0.275 -9.229 1.00 0.00 H new ATOM 268 N SER A 19 6.646 4.524 -7.328 1.00 0.00 N ATOM 269 CA SER A 19 6.911 5.867 -6.815 1.00 0.00 C ATOM 270 C SER A 19 5.635 6.719 -6.803 1.00 0.00 C ATOM 271 O SER A 19 5.351 7.401 -5.820 1.00 0.00 O ATOM 272 CB SER A 19 8.017 6.515 -7.658 1.00 0.00 C ATOM 273 OG SER A 19 8.384 7.779 -7.140 1.00 0.00 O ATOM 0 H SER A 19 7.279 4.255 -8.081 1.00 0.00 H new ATOM 0 HA SER A 19 7.249 5.799 -5.781 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.889 5.862 -7.681 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.675 6.627 -8.687 1.00 0.00 H new ATOM 0 HG SER A 19 9.091 8.168 -7.696 1.00 0.00 H new ATOM 279 N THR A 20 4.842 6.679 -7.877 1.00 0.00 N ATOM 280 CA THR A 20 3.595 7.430 -7.962 1.00 0.00 C ATOM 281 C THR A 20 2.653 7.041 -6.819 1.00 0.00 C ATOM 282 O THR A 20 2.132 7.909 -6.114 1.00 0.00 O ATOM 283 CB THR A 20 2.944 7.223 -9.338 1.00 0.00 C ATOM 284 OG1 THR A 20 3.838 7.642 -10.348 1.00 0.00 O ATOM 285 CG2 THR A 20 1.650 8.028 -9.490 1.00 0.00 C ATOM 0 H THR A 20 5.049 6.125 -8.708 1.00 0.00 H new ATOM 0 HA THR A 20 3.811 8.493 -7.855 1.00 0.00 H new ATOM 0 HB THR A 20 2.709 6.162 -9.428 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.560 6.985 -10.439 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.225 7.851 -10.478 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.936 7.717 -8.727 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.866 9.090 -9.373 1.00 0.00 H new ATOM 293 N ILE A 21 2.426 5.738 -6.630 1.00 0.00 N ATOM 294 CA ILE A 21 1.590 5.226 -5.564 1.00 0.00 C ATOM 295 C ILE A 21 2.198 5.636 -4.223 1.00 0.00 C ATOM 296 O ILE A 21 1.484 6.126 -3.354 1.00 0.00 O ATOM 297 CB ILE A 21 1.431 3.699 -5.746 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.168 3.341 -6.535 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.396 2.925 -4.440 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.431 3.464 -8.027 1.00 0.00 C ATOM 0 H ILE A 21 2.825 5.010 -7.223 1.00 0.00 H new ATOM 0 HA ILE A 21 0.585 5.648 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 21 2.323 3.406 -6.300 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.144 2.324 -6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.650 4.001 -6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.283 1.862 -4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.325 3.090 -3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.555 3.267 -3.837 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.474 3.207 -8.578 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.721 4.488 -8.262 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.235 2.785 -8.312 1.00 0.00 H new ATOM 312 N GLU A 22 3.511 5.469 -4.065 1.00 0.00 N ATOM 313 CA GLU A 22 4.257 5.856 -2.880 1.00 0.00 C ATOM 314 C GLU A 22 3.967 7.314 -2.509 1.00 0.00 C ATOM 315 O GLU A 22 3.559 7.599 -1.384 1.00 0.00 O ATOM 316 CB GLU A 22 5.746 5.503 -3.074 1.00 0.00 C ATOM 317 CG GLU A 22 6.013 4.153 -2.389 1.00 0.00 C ATOM 318 CD GLU A 22 7.412 3.579 -2.570 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.243 4.258 -3.210 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.622 2.462 -2.041 1.00 0.00 O ATOM 0 H GLU A 22 4.098 5.047 -4.784 1.00 0.00 H new ATOM 0 HA GLU A 22 3.930 5.288 -2.009 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.988 5.445 -4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.380 6.279 -2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.823 4.266 -1.322 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.292 3.428 -2.766 1.00 0.00 H new ATOM 327 N GLY A 23 4.099 8.233 -3.465 1.00 0.00 N ATOM 328 CA GLY A 23 3.746 9.629 -3.284 1.00 0.00 C ATOM 329 C GLY A 23 2.275 9.801 -2.899 1.00 0.00 C ATOM 330 O GLY A 23 1.955 10.458 -1.908 1.00 0.00 O ATOM 0 H GLY A 23 4.459 8.020 -4.395 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.377 10.065 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.946 10.176 -4.205 1.00 0.00 H new ATOM 334 N LYS A 24 1.357 9.249 -3.702 1.00 0.00 N ATOM 335 CA LYS A 24 -0.070 9.448 -3.492 1.00 0.00 C ATOM 336 C LYS A 24 -0.505 8.958 -2.115 1.00 0.00 C ATOM 337 O LYS A 24 -1.136 9.692 -1.360 1.00 0.00 O ATOM 338 CB LYS A 24 -0.869 8.782 -4.619 1.00 0.00 C ATOM 339 CG LYS A 24 -2.258 9.416 -4.818 1.00 0.00 C ATOM 340 CD LYS A 24 -2.372 10.367 -6.027 1.00 0.00 C ATOM 341 CE LYS A 24 -2.107 11.858 -5.765 1.00 0.00 C ATOM 342 NZ LYS A 24 -0.676 12.179 -5.589 1.00 0.00 N ATOM 0 H LYS A 24 1.585 8.661 -4.503 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.278 10.518 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.305 8.853 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.987 7.721 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.992 8.618 -4.931 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.522 9.967 -3.915 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.674 10.028 -6.793 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.375 10.268 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.503 12.441 -6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.653 12.165 -4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.548 12.729 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.128 11.298 -5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.343 12.737 -6.401 1.00 0.00 H new ATOM 356 N ILE A 25 -0.156 7.718 -1.799 1.00 0.00 N ATOM 357 CA ILE A 25 -0.467 7.104 -0.522 1.00 0.00 C ATOM 358 C ILE A 25 0.250 7.857 0.601 1.00 0.00 C ATOM 359 O ILE A 25 -0.358 8.149 1.628 1.00 0.00 O ATOM 360 CB ILE A 25 -0.201 5.592 -0.566 1.00 0.00 C ATOM 361 CG1 ILE A 25 -1.048 4.874 -1.625 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.390 4.947 0.812 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.484 4.697 -1.156 1.00 0.00 C ATOM 0 H ILE A 25 0.357 7.105 -2.433 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.532 7.190 -0.304 1.00 0.00 H new ATOM 0 HB ILE A 25 0.843 5.474 -0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.034 5.445 -2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.612 3.899 -1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.194 3.877 0.743 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.302 5.398 1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.413 5.107 1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.058 4.185 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.498 4.105 -0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.927 5.674 -0.962 1.00 0.00 H new ATOM 375 N GLY A 26 1.510 8.245 0.383 1.00 0.00 N ATOM 376 CA GLY A 26 2.244 9.129 1.278 1.00 0.00 C ATOM 377 C GLY A 26 1.439 10.371 1.667 1.00 0.00 C ATOM 378 O GLY A 26 1.492 10.807 2.814 1.00 0.00 O ATOM 0 H GLY A 26 2.050 7.948 -0.430 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.519 8.581 2.179 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.172 9.438 0.797 1.00 0.00 H new ATOM 382 N LYS A 27 0.686 10.945 0.723 1.00 0.00 N ATOM 383 CA LYS A 27 -0.140 12.114 0.976 1.00 0.00 C ATOM 384 C LYS A 27 -1.247 11.854 2.015 1.00 0.00 C ATOM 385 O LYS A 27 -1.746 12.805 2.616 1.00 0.00 O ATOM 386 CB LYS A 27 -0.717 12.632 -0.349 1.00 0.00 C ATOM 387 CG LYS A 27 -1.064 14.121 -0.258 1.00 0.00 C ATOM 388 CD LYS A 27 -1.891 14.596 -1.462 1.00 0.00 C ATOM 389 CE LYS A 27 -2.260 16.079 -1.286 1.00 0.00 C ATOM 390 NZ LYS A 27 -3.194 16.563 -2.327 1.00 0.00 N ATOM 0 H LYS A 27 0.637 10.606 -0.238 1.00 0.00 H new ATOM 0 HA LYS A 27 0.496 12.883 1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.005 12.473 -1.150 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.610 12.063 -0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.621 14.308 0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.145 14.704 -0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.323 14.460 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.796 13.995 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.711 16.223 -0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.351 16.681 -1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.409 17.567 -2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.757 16.453 -3.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.074 16.010 -2.289 1.00 0.00 H new ATOM 404 N LEU A 28 -1.694 10.607 2.201 1.00 0.00 N ATOM 405 CA LEU A 28 -2.852 10.325 3.029 1.00 0.00 C ATOM 406 C LEU A 28 -2.583 10.538 4.514 1.00 0.00 C ATOM 407 O LEU A 28 -1.653 9.973 5.094 1.00 0.00 O ATOM 408 CB LEU A 28 -3.316 8.901 2.843 1.00 0.00 C ATOM 409 CG LEU A 28 -3.740 8.562 1.408 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.639 7.339 1.524 1.00 0.00 C ATOM 411 CD2 LEU A 28 -4.520 9.662 0.672 1.00 0.00 C ATOM 0 H LEU A 28 -1.264 9.781 1.784 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.620 11.027 2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.513 8.227 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.156 8.714 3.512 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.834 8.415 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.979 7.042 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.081 6.519 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.501 7.579 2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.771 9.320 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.436 9.886 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.907 10.561 0.607 1.00 0.00 H new ATOM 423 N GLN A 29 -3.481 11.291 5.144 1.00 0.00 N ATOM 424 CA GLN A 29 -3.467 11.526 6.572 1.00 0.00 C ATOM 425 C GLN A 29 -3.752 10.235 7.350 1.00 0.00 C ATOM 426 O GLN A 29 -4.897 9.929 7.666 1.00 0.00 O ATOM 427 CB GLN A 29 -4.425 12.681 6.899 1.00 0.00 C ATOM 428 CG GLN A 29 -5.893 12.330 6.605 1.00 0.00 C ATOM 429 CD GLN A 29 -6.690 13.525 6.094 1.00 0.00 C ATOM 430 OE1 GLN A 29 -6.630 14.611 6.660 1.00 0.00 O ATOM 431 NE2 GLN A 29 -7.436 13.346 5.006 1.00 0.00 N ATOM 0 H GLN A 29 -4.248 11.759 4.662 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.472 11.832 6.896 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.322 12.947 7.951 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.142 13.559 6.319 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.930 11.530 5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.360 11.948 7.513 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.468 12.432 4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.975 14.123 4.624 1.00 0.00 H new ATOM 440 N GLY A 30 -2.707 9.464 7.647 1.00 0.00 N ATOM 441 CA GLY A 30 -2.850 8.188 8.336 1.00 0.00 C ATOM 442 C GLY A 30 -1.713 7.222 8.058 1.00 0.00 C ATOM 443 O GLY A 30 -1.454 6.320 8.856 1.00 0.00 O ATOM 0 H GLY A 30 -1.743 9.707 7.417 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.910 8.368 9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.791 7.726 8.037 1.00 0.00 H new ATOM 447 N VAL A 31 -1.046 7.381 6.915 1.00 0.00 N ATOM 448 CA VAL A 31 0.055 6.509 6.567 1.00 0.00 C ATOM 449 C VAL A 31 1.315 6.953 7.306 1.00 0.00 C ATOM 450 O VAL A 31 1.477 8.131 7.627 1.00 0.00 O ATOM 451 CB VAL A 31 0.231 6.520 5.037 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.460 5.734 4.557 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.020 5.942 4.365 1.00 0.00 C ATOM 0 H VAL A 31 -1.253 8.103 6.224 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.149 5.483 6.873 1.00 0.00 H new ATOM 0 HB VAL A 31 0.382 7.562 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.522 5.784 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.361 6.166 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.370 4.693 4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.889 5.952 3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.173 4.917 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.888 6.545 4.632 1.00 0.00 H new ATOM 463 N GLN A 32 2.205 5.996 7.578 1.00 0.00 N ATOM 464 CA GLN A 32 3.504 6.243 8.177 1.00 0.00 C ATOM 465 C GLN A 32 4.612 5.934 7.180 1.00 0.00 C ATOM 466 O GLN A 32 5.484 6.775 6.953 1.00 0.00 O ATOM 467 CB GLN A 32 3.647 5.413 9.459 1.00 0.00 C ATOM 468 CG GLN A 32 3.242 6.213 10.692 1.00 0.00 C ATOM 469 CD GLN A 32 4.244 7.318 11.015 1.00 0.00 C ATOM 470 OE1 GLN A 32 5.358 7.042 11.450 1.00 0.00 O ATOM 471 NE2 GLN A 32 3.881 8.575 10.783 1.00 0.00 N ATOM 0 H GLN A 32 2.032 5.010 7.381 1.00 0.00 H new ATOM 0 HA GLN A 32 3.589 7.296 8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.028 4.519 9.385 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.679 5.079 9.564 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.258 6.653 10.531 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.155 5.542 11.547 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.949 8.778 10.421 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.534 9.337 10.967 1.00 0.00 H new ATOM 480 N ARG A 33 4.625 4.731 6.606 1.00 0.00 N ATOM 481 CA ARG A 33 5.673 4.274 5.711 1.00 0.00 C ATOM 482 C ARG A 33 5.003 3.438 4.631 1.00 0.00 C ATOM 483 O ARG A 33 3.832 3.081 4.733 1.00 0.00 O ATOM 484 CB ARG A 33 6.738 3.478 6.494 1.00 0.00 C ATOM 485 CG ARG A 33 8.181 3.785 6.054 1.00 0.00 C ATOM 486 CD ARG A 33 8.863 4.869 6.905 1.00 0.00 C ATOM 487 NE ARG A 33 8.073 6.107 6.961 1.00 0.00 N ATOM 488 CZ ARG A 33 8.486 7.319 7.361 1.00 0.00 C ATOM 489 NH1 ARG A 33 9.751 7.515 7.751 1.00 0.00 N ATOM 490 NH2 ARG A 33 7.606 8.323 7.368 1.00 0.00 N ATOM 0 H ARG A 33 3.891 4.039 6.757 1.00 0.00 H new ATOM 0 HA ARG A 33 6.199 5.110 5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.636 3.698 7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.548 2.412 6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.771 2.870 6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.175 4.103 5.011 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.017 4.492 7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.848 5.087 6.492 1.00 0.00 H new ATOM 0 HE ARG A 33 7.100 6.037 6.662 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.412 6.738 7.746 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.054 8.441 8.053 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.643 8.159 7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.896 9.254 7.668 1.00 0.00 H new ATOM 504 N ILE A 34 5.735 3.172 3.564 1.00 0.00 N ATOM 505 CA ILE A 34 5.252 2.486 2.405 1.00 0.00 C ATOM 506 C ILE A 34 6.507 1.949 1.722 1.00 0.00 C ATOM 507 O ILE A 34 7.554 2.597 1.779 1.00 0.00 O ATOM 508 CB ILE A 34 4.379 3.459 1.594 1.00 0.00 C ATOM 509 CG1 ILE A 34 3.870 2.778 0.325 1.00 0.00 C ATOM 510 CG2 ILE A 34 5.069 4.805 1.314 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.622 3.451 -0.238 1.00 0.00 C ATOM 0 H ILE A 34 6.716 3.442 3.490 1.00 0.00 H new ATOM 0 HA ILE A 34 4.592 1.638 2.589 1.00 0.00 H new ATOM 0 HB ILE A 34 3.516 3.716 2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.656 2.788 -0.430 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.649 1.733 0.541 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.399 5.444 0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.313 5.292 2.258 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.984 4.634 0.747 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.302 2.928 -1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.824 3.417 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.847 4.489 -0.482 1.00 0.00 H new ATOM 523 N LYS A 35 6.432 0.722 1.215 1.00 0.00 N ATOM 524 CA LYS A 35 7.511 0.012 0.560 1.00 0.00 C ATOM 525 C LYS A 35 6.972 -0.791 -0.633 1.00 0.00 C ATOM 526 O LYS A 35 6.649 -1.977 -0.510 1.00 0.00 O ATOM 527 CB LYS A 35 8.314 -0.825 1.576 1.00 0.00 C ATOM 528 CG LYS A 35 9.486 -0.088 2.234 1.00 0.00 C ATOM 529 CD LYS A 35 10.590 0.206 1.214 1.00 0.00 C ATOM 530 CE LYS A 35 11.871 0.692 1.905 1.00 0.00 C ATOM 531 NZ LYS A 35 12.967 0.893 0.936 1.00 0.00 N ATOM 0 H LYS A 35 5.572 0.174 1.255 1.00 0.00 H new ATOM 0 HA LYS A 35 8.224 0.725 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.636 -1.171 2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.698 -1.712 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.133 0.845 2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.889 -0.691 3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.804 -0.694 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.245 0.962 0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.671 1.627 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.178 -0.035 2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.817 1.221 1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.174 -0.005 0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.683 1.605 0.233 1.00 0.00 H new ATOM 545 N VAL A 36 6.842 -0.139 -1.787 1.00 0.00 N ATOM 546 CA VAL A 36 6.213 -0.716 -2.964 1.00 0.00 C ATOM 547 C VAL A 36 7.279 -1.294 -3.899 1.00 0.00 C ATOM 548 O VAL A 36 7.994 -0.544 -4.560 1.00 0.00 O ATOM 549 CB VAL A 36 5.296 0.334 -3.609 1.00 0.00 C ATOM 550 CG1 VAL A 36 4.663 -0.180 -4.902 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.161 0.679 -2.637 1.00 0.00 C ATOM 0 H VAL A 36 7.175 0.815 -1.928 1.00 0.00 H new ATOM 0 HA VAL A 36 5.575 -1.559 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 36 5.908 1.207 -3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.022 0.593 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.447 -0.433 -5.616 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.068 -1.068 -4.688 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.507 1.424 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.587 -0.220 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.581 1.079 -1.714 1.00 0.00 H new ATOM 561 N SER A 37 7.392 -2.626 -3.955 1.00 0.00 N ATOM 562 CA SER A 37 8.384 -3.305 -4.766 1.00 0.00 C ATOM 563 C SER A 37 7.782 -3.627 -6.129 1.00 0.00 C ATOM 564 O SER A 37 6.570 -3.787 -6.260 1.00 0.00 O ATOM 565 CB SER A 37 8.841 -4.584 -4.073 1.00 0.00 C ATOM 566 OG SER A 37 9.123 -4.353 -2.705 1.00 0.00 O ATOM 0 H SER A 37 6.788 -3.259 -3.431 1.00 0.00 H new ATOM 0 HA SER A 37 9.251 -2.658 -4.899 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.067 -5.346 -4.164 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.730 -4.972 -4.570 1.00 0.00 H new ATOM 0 HG SER A 37 9.412 -5.190 -2.285 1.00 0.00 H new ATOM 572 N LEU A 38 8.649 -3.764 -7.128 1.00 0.00 N ATOM 573 CA LEU A 38 8.280 -4.123 -8.485 1.00 0.00 C ATOM 574 C LEU A 38 8.672 -5.580 -8.728 1.00 0.00 C ATOM 575 O LEU A 38 7.867 -6.380 -9.200 1.00 0.00 O ATOM 576 CB LEU A 38 8.909 -3.156 -9.505 1.00 0.00 C ATOM 577 CG LEU A 38 10.324 -2.650 -9.169 1.00 0.00 C ATOM 578 CD1 LEU A 38 11.087 -2.330 -10.456 1.00 0.00 C ATOM 579 CD2 LEU A 38 10.295 -1.395 -8.285 1.00 0.00 C ATOM 0 H LEU A 38 9.652 -3.624 -7.008 1.00 0.00 H new ATOM 0 HA LEU A 38 7.202 -4.031 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.943 -3.653 -10.475 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.252 -2.293 -9.612 1.00 0.00 H new ATOM 0 HG LEU A 38 10.825 -3.446 -8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.086 -1.973 -10.207 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.165 -3.230 -11.066 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.554 -1.559 -11.013 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.315 -1.075 -8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.764 -0.597 -8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.785 -1.621 -7.349 1.00 0.00 H new ATOM 591 N ASP A 39 9.905 -5.931 -8.357 1.00 0.00 N ATOM 592 CA ASP A 39 10.560 -7.201 -8.632 1.00 0.00 C ATOM 593 C ASP A 39 9.652 -8.358 -8.268 1.00 0.00 C ATOM 594 O ASP A 39 9.292 -9.187 -9.100 1.00 0.00 O ATOM 595 CB ASP A 39 11.856 -7.333 -7.806 1.00 0.00 C ATOM 596 CG ASP A 39 12.658 -6.041 -7.694 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.075 -5.084 -7.130 1.00 0.00 O ATOM 598 OD2 ASP A 39 13.815 -6.035 -8.162 1.00 0.00 O ATOM 0 H ASP A 39 10.503 -5.297 -7.827 1.00 0.00 H new ATOM 0 HA ASP A 39 10.791 -7.227 -9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.602 -7.678 -6.804 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.485 -8.100 -8.257 1.00 0.00 H new ATOM 603 N ASN A 40 9.293 -8.393 -6.984 1.00 0.00 N ATOM 604 CA ASN A 40 8.512 -9.470 -6.414 1.00 0.00 C ATOM 605 C ASN A 40 7.019 -9.106 -6.425 1.00 0.00 C ATOM 606 O ASN A 40 6.242 -9.656 -5.652 1.00 0.00 O ATOM 607 CB ASN A 40 9.040 -9.802 -5.019 1.00 0.00 C ATOM 608 CG ASN A 40 8.687 -11.214 -4.549 1.00 0.00 C ATOM 609 OD1 ASN A 40 7.978 -11.964 -5.209 1.00 0.00 O ATOM 610 ND2 ASN A 40 9.230 -11.613 -3.401 1.00 0.00 N ATOM 0 H ASN A 40 9.542 -7.666 -6.313 1.00 0.00 H new ATOM 0 HA ASN A 40 8.614 -10.371 -7.018 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.124 -9.687 -5.013 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.639 -9.081 -4.307 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.058 -12.558 -3.057 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.818 -10.974 -2.866 1.00 0.00 H new ATOM 617 N GLN A 41 6.642 -8.134 -7.271 1.00 0.00 N ATOM 618 CA GLN A 41 5.311 -7.564 -7.450 1.00 0.00 C ATOM 619 C GLN A 41 4.507 -7.458 -6.149 1.00 0.00 C ATOM 620 O GLN A 41 3.348 -7.861 -6.041 1.00 0.00 O ATOM 621 CB GLN A 41 4.556 -8.216 -8.616 1.00 0.00 C ATOM 622 CG GLN A 41 5.343 -9.314 -9.313 1.00 0.00 C ATOM 623 CD GLN A 41 4.524 -9.945 -10.440 1.00 0.00 C ATOM 624 OE1 GLN A 41 4.980 -10.010 -11.579 1.00 0.00 O ATOM 625 NE2 GLN A 41 3.302 -10.379 -10.145 1.00 0.00 N ATOM 0 H GLN A 41 7.320 -7.696 -7.894 1.00 0.00 H new ATOM 0 HA GLN A 41 5.456 -6.525 -7.744 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.620 -8.632 -8.244 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.297 -7.448 -9.345 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.268 -8.903 -9.717 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.624 -10.080 -8.590 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.953 -10.310 -9.189 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.713 -10.780 -10.875 1.00 0.00 H new ATOM 634 N GLU A 42 5.164 -6.890 -5.143 1.00 0.00 N ATOM 635 CA GLU A 42 4.701 -6.878 -3.764 1.00 0.00 C ATOM 636 C GLU A 42 4.703 -5.440 -3.284 1.00 0.00 C ATOM 637 O GLU A 42 5.723 -4.760 -3.357 1.00 0.00 O ATOM 638 CB GLU A 42 5.631 -7.740 -2.909 1.00 0.00 C ATOM 639 CG GLU A 42 5.238 -7.862 -1.430 1.00 0.00 C ATOM 640 CD GLU A 42 4.144 -8.890 -1.198 1.00 0.00 C ATOM 641 OE1 GLU A 42 2.972 -8.607 -1.530 1.00 0.00 O ATOM 642 OE2 GLU A 42 4.429 -9.960 -0.612 1.00 0.00 O ATOM 0 H GLU A 42 6.057 -6.413 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 42 3.694 -7.287 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.671 -8.740 -3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.638 -7.327 -2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.117 -8.134 -0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.902 -6.891 -1.066 1.00 0.00 H new ATOM 649 N ALA A 43 3.563 -4.993 -2.776 1.00 0.00 N ATOM 650 CA ALA A 43 3.353 -3.636 -2.315 1.00 0.00 C ATOM 651 C ALA A 43 3.101 -3.625 -0.808 1.00 0.00 C ATOM 652 O ALA A 43 2.093 -4.151 -0.332 1.00 0.00 O ATOM 653 CB ALA A 43 2.264 -2.961 -3.151 1.00 0.00 C ATOM 0 H ALA A 43 2.738 -5.584 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 43 4.251 -3.037 -2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.113 -1.941 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.569 -2.941 -4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.333 -3.520 -3.055 1.00 0.00 H new ATOM 659 N THR A 44 4.044 -3.042 -0.058 1.00 0.00 N ATOM 660 CA THR A 44 3.962 -2.832 1.379 1.00 0.00 C ATOM 661 C THR A 44 3.359 -1.465 1.636 1.00 0.00 C ATOM 662 O THR A 44 3.922 -0.489 1.153 1.00 0.00 O ATOM 663 CB THR A 44 5.386 -2.814 1.965 1.00 0.00 C ATOM 664 OG1 THR A 44 6.177 -3.854 1.418 1.00 0.00 O ATOM 665 CG2 THR A 44 5.370 -2.928 3.488 1.00 0.00 C ATOM 0 H THR A 44 4.915 -2.693 -0.458 1.00 0.00 H new ATOM 0 HA THR A 44 3.362 -3.623 1.829 1.00 0.00 H new ATOM 0 HB THR A 44 5.827 -1.854 1.695 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.640 -3.527 0.619 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.393 -2.912 3.865 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.815 -2.090 3.910 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.891 -3.863 3.778 1.00 0.00 H new ATOM 673 N ILE A 45 2.279 -1.361 2.408 1.00 0.00 N ATOM 674 CA ILE A 45 1.821 -0.072 2.904 1.00 0.00 C ATOM 675 C ILE A 45 1.744 -0.160 4.428 1.00 0.00 C ATOM 676 O ILE A 45 1.239 -1.157 4.948 1.00 0.00 O ATOM 677 CB ILE A 45 0.483 0.319 2.263 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.549 0.400 0.726 1.00 0.00 C ATOM 679 CG2 ILE A 45 0.094 1.714 2.785 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.641 -0.920 -0.043 1.00 0.00 C ATOM 0 H ILE A 45 1.708 -2.154 2.701 1.00 0.00 H new ATOM 0 HA ILE A 45 2.519 0.719 2.630 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.242 -0.451 2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.336 0.932 0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.413 1.008 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.856 2.016 2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.004 1.682 3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.866 2.433 2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.681 -0.716 -1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.542 -1.454 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.234 -1.531 0.178 1.00 0.00 H new ATOM 692 N VAL A 46 2.290 0.843 5.131 1.00 0.00 N ATOM 693 CA VAL A 46 2.403 0.869 6.586 1.00 0.00 C ATOM 694 C VAL A 46 1.631 2.064 7.140 1.00 0.00 C ATOM 695 O VAL A 46 2.077 3.208 6.993 1.00 0.00 O ATOM 696 CB VAL A 46 3.876 0.901 7.029 1.00 0.00 C ATOM 697 CG1 VAL A 46 3.983 0.451 8.486 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.737 -0.042 6.189 1.00 0.00 C ATOM 0 H VAL A 46 2.673 1.677 4.686 1.00 0.00 H new ATOM 0 HA VAL A 46 1.967 -0.045 6.989 1.00 0.00 H new ATOM 0 HB VAL A 46 4.232 1.924 6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.027 0.474 8.798 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.400 1.122 9.118 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.598 -0.564 8.582 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.771 0.008 6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.368 -1.062 6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.687 0.255 5.142 1.00 0.00 H new ATOM 708 N TYR A 47 0.479 1.810 7.770 1.00 0.00 N ATOM 709 CA TYR A 47 -0.421 2.877 8.185 1.00 0.00 C ATOM 710 C TYR A 47 -1.011 2.638 9.565 1.00 0.00 C ATOM 711 O TYR A 47 -1.052 1.507 10.057 1.00 0.00 O ATOM 712 CB TYR A 47 -1.547 3.058 7.162 1.00 0.00 C ATOM 713 CG TYR A 47 -2.613 1.980 7.222 1.00 0.00 C ATOM 714 CD1 TYR A 47 -2.455 0.801 6.481 1.00 0.00 C ATOM 715 CD2 TYR A 47 -3.730 2.125 8.065 1.00 0.00 C ATOM 716 CE1 TYR A 47 -3.465 -0.173 6.500 1.00 0.00 C ATOM 717 CE2 TYR A 47 -4.709 1.122 8.126 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.579 -0.025 7.337 1.00 0.00 C ATOM 719 OH TYR A 47 -5.530 -0.997 7.394 1.00 0.00 O ATOM 0 H TYR A 47 0.153 0.872 8.001 1.00 0.00 H new ATOM 0 HA TYR A 47 0.175 3.788 8.238 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.017 4.029 7.322 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.116 3.073 6.161 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.560 0.643 5.898 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.834 3.014 8.669 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.383 -1.043 5.865 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.561 1.235 8.780 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.231 -0.732 8.025 1.00 0.00 H new ATOM 729 N GLN A 48 -1.482 3.739 10.151 1.00 0.00 N ATOM 730 CA GLN A 48 -2.023 3.817 11.491 1.00 0.00 C ATOM 731 C GLN A 48 -3.487 3.355 11.488 1.00 0.00 C ATOM 732 O GLN A 48 -4.329 4.034 10.891 1.00 0.00 O ATOM 733 CB GLN A 48 -1.913 5.283 11.916 1.00 0.00 C ATOM 734 CG GLN A 48 -2.307 5.434 13.394 1.00 0.00 C ATOM 735 CD GLN A 48 -2.028 6.822 13.960 1.00 0.00 C ATOM 736 OE1 GLN A 48 -1.225 7.583 13.430 1.00 0.00 O ATOM 737 NE2 GLN A 48 -2.711 7.177 15.046 1.00 0.00 N ATOM 0 H GLN A 48 -1.493 4.640 9.673 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.481 3.174 12.184 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.894 5.638 11.765 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.561 5.900 11.294 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.369 5.213 13.503 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.765 4.694 13.983 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.373 6.526 15.468 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.572 8.100 15.456 1.00 0.00 H new ATOM 746 N PRO A 49 -3.825 2.233 12.143 1.00 0.00 N ATOM 747 CA PRO A 49 -5.137 1.615 12.043 1.00 0.00 C ATOM 748 C PRO A 49 -6.166 2.387 12.873 1.00 0.00 C ATOM 749 O PRO A 49 -6.579 1.936 13.938 1.00 0.00 O ATOM 750 CB PRO A 49 -4.934 0.179 12.541 1.00 0.00 C ATOM 751 CG PRO A 49 -3.847 0.355 13.602 1.00 0.00 C ATOM 752 CD PRO A 49 -2.950 1.427 12.980 1.00 0.00 C ATOM 0 HA PRO A 49 -5.531 1.623 11.027 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.849 -0.239 12.961 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.617 -0.489 11.740 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.261 0.676 14.558 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.304 -0.572 13.785 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.475 2.035 13.750 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.151 0.976 12.391 1.00 0.00 H new ATOM 760 N HIS A 50 -6.571 3.548 12.359 1.00 0.00 N ATOM 761 CA HIS A 50 -7.623 4.418 12.873 1.00 0.00 C ATOM 762 C HIS A 50 -7.825 5.555 11.875 1.00 0.00 C ATOM 763 O HIS A 50 -8.952 5.854 11.492 1.00 0.00 O ATOM 764 CB HIS A 50 -7.277 4.995 14.259 1.00 0.00 C ATOM 765 CG HIS A 50 -8.012 4.339 15.403 1.00 0.00 C ATOM 766 ND1 HIS A 50 -7.654 3.168 16.025 1.00 0.00 N ATOM 767 CD2 HIS A 50 -9.163 4.783 15.998 1.00 0.00 C ATOM 768 CE1 HIS A 50 -8.561 2.917 16.984 1.00 0.00 C ATOM 769 NE2 HIS A 50 -9.502 3.876 17.006 1.00 0.00 N ATOM 0 H HIS A 50 -6.142 3.929 11.516 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.534 3.832 12.992 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.205 4.894 14.425 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -7.501 6.062 14.262 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -6.844 2.591 15.799 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -9.711 5.676 15.735 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.537 2.063 17.645 1.00 0.00 H new ATOM 777 N LEU A 51 -6.727 6.203 11.472 1.00 0.00 N ATOM 778 CA LEU A 51 -6.807 7.388 10.628 1.00 0.00 C ATOM 779 C LEU A 51 -7.263 7.034 9.214 1.00 0.00 C ATOM 780 O LEU A 51 -8.085 7.739 8.633 1.00 0.00 O ATOM 781 CB LEU A 51 -5.461 8.101 10.599 1.00 0.00 C ATOM 782 CG LEU A 51 -5.055 8.692 11.962 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.593 9.146 11.915 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.917 9.903 12.347 1.00 0.00 C ATOM 0 H LEU A 51 -5.777 5.924 11.719 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.552 8.060 11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.693 7.400 10.272 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.498 8.901 9.860 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.200 7.908 12.705 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.310 9.563 12.881 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.954 8.293 11.687 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.473 9.906 11.143 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.594 10.286 13.315 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.807 10.683 11.593 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.963 9.601 12.406 1.00 0.00 H new ATOM 796 N ILE A 52 -6.708 5.956 8.659 1.00 0.00 N ATOM 797 CA ILE A 52 -6.965 5.479 7.320 1.00 0.00 C ATOM 798 C ILE A 52 -7.156 3.960 7.421 1.00 0.00 C ATOM 799 O ILE A 52 -6.923 3.391 8.488 1.00 0.00 O ATOM 800 CB ILE A 52 -5.790 5.940 6.433 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.297 6.537 5.130 1.00 0.00 C ATOM 802 CG2 ILE A 52 -4.728 4.874 6.157 1.00 0.00 C ATOM 803 CD1 ILE A 52 -6.588 8.033 5.266 1.00 0.00 C ATOM 0 H ILE A 52 -6.039 5.373 9.162 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.867 5.879 6.857 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.281 6.705 7.020 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.556 6.381 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.204 6.017 4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.945 5.295 5.526 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.294 4.540 7.099 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.187 4.026 5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.948 8.422 4.313 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.348 8.188 6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.675 8.557 5.550 1.00 0.00 H new ATOM 815 N SER A 53 -7.615 3.308 6.350 1.00 0.00 N ATOM 816 CA SER A 53 -8.022 1.909 6.374 1.00 0.00 C ATOM 817 C SER A 53 -7.619 1.213 5.074 1.00 0.00 C ATOM 818 O SER A 53 -7.316 1.880 4.081 1.00 0.00 O ATOM 819 CB SER A 53 -9.542 1.861 6.572 1.00 0.00 C ATOM 820 OG SER A 53 -10.179 2.554 5.513 1.00 0.00 O ATOM 0 H SER A 53 -7.714 3.745 5.434 1.00 0.00 H new ATOM 0 HA SER A 53 -7.526 1.385 7.191 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.883 0.826 6.601 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.809 2.311 7.528 1.00 0.00 H new ATOM 0 HG SER A 53 -11.150 2.522 5.639 1.00 0.00 H new ATOM 826 N VAL A 54 -7.661 -0.129 5.077 1.00 0.00 N ATOM 827 CA VAL A 54 -7.445 -0.962 3.895 1.00 0.00 C ATOM 828 C VAL A 54 -8.186 -0.410 2.683 1.00 0.00 C ATOM 829 O VAL A 54 -7.626 -0.372 1.588 1.00 0.00 O ATOM 830 CB VAL A 54 -7.846 -2.428 4.156 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.875 -3.243 2.855 1.00 0.00 C ATOM 832 CG2 VAL A 54 -6.876 -3.124 5.118 1.00 0.00 C ATOM 0 H VAL A 54 -7.850 -0.671 5.920 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.377 -0.940 3.677 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.841 -2.389 4.599 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.161 -4.271 3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.598 -2.805 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.886 -3.232 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.195 -4.154 5.274 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.873 -3.116 4.692 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.869 -2.597 6.072 1.00 0.00 H new ATOM 842 N GLU A 55 -9.450 -0.018 2.870 1.00 0.00 N ATOM 843 CA GLU A 55 -10.229 0.483 1.761 1.00 0.00 C ATOM 844 C GLU A 55 -9.530 1.676 1.121 1.00 0.00 C ATOM 845 O GLU A 55 -9.246 1.599 -0.058 1.00 0.00 O ATOM 846 CB GLU A 55 -11.674 0.772 2.149 1.00 0.00 C ATOM 847 CG GLU A 55 -12.473 1.234 0.923 1.00 0.00 C ATOM 848 CD GLU A 55 -13.826 0.563 0.748 1.00 0.00 C ATOM 849 OE1 GLU A 55 -13.923 -0.652 1.014 1.00 0.00 O ATOM 850 OE2 GLU A 55 -14.725 1.293 0.271 1.00 0.00 O ATOM 0 H GLU A 55 -9.938 -0.041 3.765 1.00 0.00 H new ATOM 0 HA GLU A 55 -10.291 -0.301 1.007 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.130 -0.123 2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.703 1.541 2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.625 2.311 0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.876 1.052 0.029 1.00 0.00 H new ATOM 857 N GLU A 56 -9.220 2.749 1.850 1.00 0.00 N ATOM 858 CA GLU A 56 -8.597 3.929 1.276 1.00 0.00 C ATOM 859 C GLU A 56 -7.336 3.534 0.519 1.00 0.00 C ATOM 860 O GLU A 56 -7.192 3.913 -0.638 1.00 0.00 O ATOM 861 CB GLU A 56 -8.333 5.007 2.338 1.00 0.00 C ATOM 862 CG GLU A 56 -9.253 6.219 2.118 1.00 0.00 C ATOM 863 CD GLU A 56 -8.861 7.023 0.874 1.00 0.00 C ATOM 864 OE1 GLU A 56 -7.924 7.836 1.011 1.00 0.00 O ATOM 865 OE2 GLU A 56 -9.473 6.811 -0.201 1.00 0.00 O ATOM 0 H GLU A 56 -9.396 2.819 2.852 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.288 4.377 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.499 4.594 3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.290 5.322 2.293 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.283 5.878 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.215 6.866 2.994 1.00 0.00 H new ATOM 872 N MET A 57 -6.453 2.724 1.115 1.00 0.00 N ATOM 873 CA MET A 57 -5.363 2.159 0.354 1.00 0.00 C ATOM 874 C MET A 57 -5.824 1.574 -0.990 1.00 0.00 C ATOM 875 O MET A 57 -5.383 2.033 -2.038 1.00 0.00 O ATOM 876 CB MET A 57 -4.648 1.103 1.165 1.00 0.00 C ATOM 877 CG MET A 57 -4.263 1.481 2.592 1.00 0.00 C ATOM 878 SD MET A 57 -2.890 0.485 3.199 1.00 0.00 S ATOM 879 CE MET A 57 -3.544 -1.184 3.007 1.00 0.00 C ATOM 0 H MET A 57 -6.480 2.457 2.099 1.00 0.00 H new ATOM 0 HA MET A 57 -4.674 2.974 0.130 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.283 0.218 1.207 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.741 0.820 0.631 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.991 2.536 2.628 1.00 0.00 H new ATOM 0 HG3 MET A 57 -5.124 1.351 3.248 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.719 -1.893 2.943 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.169 -1.431 3.865 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.141 -1.238 2.097 1.00 0.00 H new ATOM 889 N LYS A 58 -6.697 0.561 -0.980 1.00 0.00 N ATOM 890 CA LYS A 58 -7.138 -0.063 -2.222 1.00 0.00 C ATOM 891 C LYS A 58 -7.829 0.940 -3.129 1.00 0.00 C ATOM 892 O LYS A 58 -7.383 1.122 -4.246 1.00 0.00 O ATOM 893 CB LYS A 58 -7.984 -1.311 -1.963 1.00 0.00 C ATOM 894 CG LYS A 58 -8.928 -1.704 -3.111 1.00 0.00 C ATOM 895 CD LYS A 58 -9.864 -2.859 -2.747 1.00 0.00 C ATOM 896 CE LYS A 58 -9.114 -4.186 -2.592 1.00 0.00 C ATOM 897 NZ LYS A 58 -10.055 -5.307 -2.408 1.00 0.00 N ATOM 0 H LYS A 58 -7.105 0.163 -0.134 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.251 -0.406 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.317 -2.148 -1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.578 -1.149 -1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.524 -0.837 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.335 -1.985 -3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.381 -2.625 -1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.627 -2.963 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.498 -4.365 -3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.439 -4.129 -1.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.522 -6.194 -2.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.625 -5.145 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.682 -5.373 -3.235 1.00 0.00 H new ATOM 911 N LYS A 59 -8.919 1.559 -2.689 1.00 0.00 N ATOM 912 CA LYS A 59 -9.643 2.587 -3.392 1.00 0.00 C ATOM 913 C LYS A 59 -8.660 3.498 -4.122 1.00 0.00 C ATOM 914 O LYS A 59 -8.747 3.624 -5.339 1.00 0.00 O ATOM 915 CB LYS A 59 -10.508 3.345 -2.376 1.00 0.00 C ATOM 916 CG LYS A 59 -11.821 3.857 -2.957 1.00 0.00 C ATOM 917 CD LYS A 59 -12.854 2.724 -3.124 1.00 0.00 C ATOM 918 CE LYS A 59 -14.275 3.181 -2.759 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.452 3.352 -1.300 1.00 0.00 N ATOM 0 H LYS A 59 -9.335 1.338 -1.784 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.301 2.161 -4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.724 2.688 -1.533 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.940 4.189 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.230 4.629 -2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.633 4.323 -3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.841 2.371 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.572 1.880 -2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.492 4.123 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.995 2.450 -3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.095 4.149 -1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.855 2.483 -0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.530 3.544 -0.859 1.00 0.00 H new ATOM 933 N GLN A 60 -7.685 4.070 -3.410 1.00 0.00 N ATOM 934 CA GLN A 60 -6.698 4.915 -4.073 1.00 0.00 C ATOM 935 C GLN A 60 -5.828 4.132 -5.071 1.00 0.00 C ATOM 936 O GLN A 60 -5.604 4.600 -6.184 1.00 0.00 O ATOM 937 CB GLN A 60 -5.838 5.628 -3.032 1.00 0.00 C ATOM 938 CG GLN A 60 -6.630 6.611 -2.151 1.00 0.00 C ATOM 939 CD GLN A 60 -7.391 7.665 -2.941 1.00 0.00 C ATOM 940 OE1 GLN A 60 -6.849 8.270 -3.865 1.00 0.00 O ATOM 941 NE2 GLN A 60 -8.656 7.888 -2.599 1.00 0.00 N ATOM 0 H GLN A 60 -7.562 3.966 -2.403 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.240 5.659 -4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.362 4.883 -2.394 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.040 6.170 -3.540 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -7.335 6.049 -1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -5.941 7.109 -1.468 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.075 7.369 -1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.208 8.578 -3.108 1.00 0.00 H new ATOM 950 N ILE A 61 -5.303 2.966 -4.685 1.00 0.00 N ATOM 951 CA ILE A 61 -4.410 2.175 -5.528 1.00 0.00 C ATOM 952 C ILE A 61 -5.163 1.611 -6.734 1.00 0.00 C ATOM 953 O ILE A 61 -4.855 1.974 -7.868 1.00 0.00 O ATOM 954 CB ILE A 61 -3.676 1.104 -4.709 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.746 1.850 -3.736 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.865 0.175 -5.628 1.00 0.00 C ATOM 957 CD1 ILE A 61 -1.992 0.921 -2.793 1.00 0.00 C ATOM 0 H ILE A 61 -5.488 2.545 -3.775 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.633 2.827 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.385 0.477 -4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.028 2.437 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.335 2.553 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.353 -0.576 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.537 -0.319 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.130 0.760 -6.180 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.355 1.511 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.705 0.353 -2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.376 0.234 -3.374 1.00 0.00 H new ATOM 969 N GLU A 62 -6.147 0.735 -6.516 1.00 0.00 N ATOM 970 CA GLU A 62 -6.990 0.218 -7.568 1.00 0.00 C ATOM 971 C GLU A 62 -7.573 1.336 -8.446 1.00 0.00 C ATOM 972 O GLU A 62 -7.678 1.132 -9.653 1.00 0.00 O ATOM 973 CB GLU A 62 -8.059 -0.690 -6.936 1.00 0.00 C ATOM 974 CG GLU A 62 -7.852 -2.153 -7.347 1.00 0.00 C ATOM 975 CD GLU A 62 -8.775 -3.134 -6.631 1.00 0.00 C ATOM 976 OE1 GLU A 62 -9.721 -2.668 -5.957 1.00 0.00 O ATOM 977 OE2 GLU A 62 -8.489 -4.346 -6.731 1.00 0.00 O ATOM 0 H GLU A 62 -6.374 0.369 -5.591 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.396 -0.383 -8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.018 -0.605 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.051 -0.359 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.006 -2.243 -8.422 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.817 -2.433 -7.149 1.00 0.00 H new ATOM 984 N ALA A 63 -7.899 2.523 -7.903 1.00 0.00 N ATOM 985 CA ALA A 63 -8.359 3.626 -8.753 1.00 0.00 C ATOM 986 C ALA A 63 -7.364 3.976 -9.863 1.00 0.00 C ATOM 987 O ALA A 63 -7.784 4.372 -10.948 1.00 0.00 O ATOM 988 CB ALA A 63 -8.664 4.885 -7.942 1.00 0.00 C ATOM 0 H ALA A 63 -7.853 2.736 -6.907 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.277 3.265 -9.216 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.001 5.676 -8.612 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.445 4.668 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.763 5.210 -7.422 1.00 0.00 H new ATOM 994 N MET A 64 -6.055 3.846 -9.613 1.00 0.00 N ATOM 995 CA MET A 64 -5.057 4.046 -10.648 1.00 0.00 C ATOM 996 C MET A 64 -5.287 3.073 -11.808 1.00 0.00 C ATOM 997 O MET A 64 -5.121 3.439 -12.969 1.00 0.00 O ATOM 998 CB MET A 64 -3.658 3.838 -10.076 1.00 0.00 C ATOM 999 CG MET A 64 -3.325 4.721 -8.873 1.00 0.00 C ATOM 1000 SD MET A 64 -3.531 6.502 -9.091 1.00 0.00 S ATOM 1001 CE MET A 64 -2.801 7.063 -7.540 1.00 0.00 C ATOM 0 H MET A 64 -5.671 3.603 -8.700 1.00 0.00 H new ATOM 0 HA MET A 64 -5.146 5.067 -11.019 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.551 2.793 -9.784 1.00 0.00 H new ATOM 0 HB3 MET A 64 -2.927 4.026 -10.862 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.949 4.406 -8.037 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.290 4.531 -8.587 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.356 7.924 -7.167 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.844 6.258 -6.806 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.762 7.346 -7.708 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.640 1.827 -11.477 1.00 0.00 N ATOM 1012 CA GLY A 65 -5.924 0.766 -12.433 1.00 0.00 C ATOM 1013 C GLY A 65 -5.288 -0.550 -11.994 1.00 0.00 C ATOM 1014 O GLY A 65 -5.683 -1.618 -12.454 1.00 0.00 O ATOM 0 H GLY A 65 -5.737 1.526 -10.507 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.002 0.638 -12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.546 1.047 -13.416 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.283 -0.478 -11.119 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.485 -1.622 -10.711 1.00 0.00 C ATOM 1020 C PHE A 66 -4.286 -2.511 -9.754 1.00 0.00 C ATOM 1021 O PHE A 66 -4.547 -2.074 -8.634 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.232 -1.094 -10.007 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.421 -0.122 -10.842 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -0.886 -0.520 -12.081 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.289 1.212 -10.420 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.276 0.429 -12.919 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.697 2.164 -11.266 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.218 1.777 -12.527 1.00 0.00 C ATOM 0 H PHE A 66 -4.001 0.394 -10.670 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.211 -2.219 -11.581 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.528 -0.602 -9.080 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.599 -1.938 -9.732 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.944 -1.554 -12.388 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.644 1.506 -9.443 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.148 0.122 -13.864 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.611 3.192 -10.947 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.196 2.516 -13.197 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.660 -3.743 -10.133 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.316 -4.648 -9.203 1.00 0.00 C ATOM 1040 C PRO A 67 -4.314 -5.009 -8.107 1.00 0.00 C ATOM 1041 O PRO A 67 -3.129 -5.177 -8.401 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.720 -5.863 -10.040 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.652 -5.907 -11.134 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.328 -4.430 -11.373 1.00 0.00 C ATOM 0 HA PRO A 67 -6.193 -4.223 -8.714 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.725 -6.777 -9.446 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.720 -5.749 -10.458 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.772 -6.465 -10.814 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.023 -6.389 -12.039 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.276 -4.297 -11.624 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.907 -4.033 -12.207 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.772 -5.107 -6.852 1.00 0.00 N ATOM 1053 CA ALA A 68 -3.891 -5.389 -5.727 1.00 0.00 C ATOM 1054 C ALA A 68 -4.522 -6.381 -4.753 1.00 0.00 C ATOM 1055 O ALA A 68 -5.689 -6.247 -4.386 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.524 -4.103 -4.995 1.00 0.00 C ATOM 0 H ALA A 68 -5.753 -4.993 -6.597 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.985 -5.841 -6.130 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.865 -4.336 -4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.014 -3.427 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.430 -3.626 -4.622 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.741 -7.368 -4.310 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.228 -8.499 -3.529 1.00 0.00 C ATOM 1064 C PHE A 69 -3.755 -8.364 -2.084 1.00 0.00 C ATOM 1065 O PHE A 69 -2.866 -9.095 -1.646 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.782 -9.806 -4.189 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.738 -10.357 -5.229 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -4.934 -9.671 -6.443 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -5.403 -11.578 -5.002 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -5.802 -10.196 -7.416 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -6.253 -12.112 -5.986 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.457 -11.418 -7.191 1.00 0.00 C ATOM 0 H PHE A 69 -2.737 -7.401 -4.488 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.318 -8.511 -3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.811 -9.646 -4.658 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.641 -10.558 -3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.417 -8.741 -6.627 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.259 -12.105 -4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.966 -9.659 -8.338 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.749 -13.056 -5.816 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.117 -11.824 -7.943 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.361 -7.418 -1.363 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.162 -7.177 0.065 1.00 0.00 C ATOM 1084 C VAL A 70 -4.557 -8.407 0.890 1.00 0.00 C ATOM 1085 O VAL A 70 -5.740 -8.687 1.061 1.00 0.00 O ATOM 1086 CB VAL A 70 -4.837 -5.858 0.478 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.354 -5.927 0.423 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -4.369 -5.394 1.863 1.00 0.00 C ATOM 0 H VAL A 70 -5.033 -6.772 -1.778 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.103 -7.037 0.281 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.524 -5.118 -0.259 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.773 -4.967 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.671 -6.157 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.708 -6.706 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.867 -4.459 2.121 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.617 -6.154 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.290 -5.239 1.849 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.571 -9.169 1.375 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.820 -10.360 2.171 1.00 0.00 C ATOM 1100 C LYS A 71 -2.628 -10.708 3.068 1.00 0.00 C ATOM 1101 O LYS A 71 -2.098 -11.817 3.039 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.298 -11.492 1.269 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.214 -11.907 0.292 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.850 -12.670 -0.881 1.00 0.00 C ATOM 1105 CE LYS A 71 -2.872 -13.626 -1.578 1.00 0.00 C ATOM 1106 NZ LYS A 71 -2.642 -14.856 -0.788 1.00 0.00 N ATOM 0 H LYS A 71 -2.582 -8.972 1.223 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.629 -10.168 2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.590 -12.348 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.184 -11.174 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.684 -11.028 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.478 -12.536 0.793 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.706 -13.238 -0.516 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.230 -11.954 -1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.264 -13.893 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.922 -13.117 -1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.976 -15.474 -1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.244 -14.604 0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.544 -15.356 -0.653 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.228 -9.754 3.902 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.213 -9.912 4.928 1.00 0.00 C ATOM 1122 C LYS A 72 -1.483 -8.833 5.959 1.00 0.00 C ATOM 1123 O LYS A 72 -2.168 -7.862 5.645 1.00 0.00 O ATOM 1124 CB LYS A 72 0.185 -9.703 4.332 1.00 0.00 C ATOM 1125 CG LYS A 72 0.953 -10.985 3.992 1.00 0.00 C ATOM 1126 CD LYS A 72 1.360 -11.752 5.258 1.00 0.00 C ATOM 1127 CE LYS A 72 2.494 -12.748 4.973 1.00 0.00 C ATOM 1128 NZ LYS A 72 3.803 -12.071 4.874 1.00 0.00 N ATOM 0 H LYS A 72 -2.620 -8.813 3.878 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.249 -10.911 5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.089 -9.106 3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.778 -9.120 5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.335 -11.624 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.843 -10.734 3.416 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.678 -11.046 6.025 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.496 -12.286 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.530 -13.495 5.766 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.287 -13.279 4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.278 -12.361 3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.661 -11.041 4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.393 -12.334 5.689 1.00 0.00 H new ATOM 1142 N ILE A 73 -0.924 -9.004 7.154 1.00 0.00 N ATOM 1143 CA ILE A 73 -1.041 -8.060 8.248 1.00 0.00 C ATOM 1144 C ILE A 73 0.167 -8.277 9.161 1.00 0.00 C ATOM 1145 O ILE A 73 0.051 -8.835 10.248 1.00 0.00 O ATOM 1146 CB ILE A 73 -2.432 -8.207 8.903 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -2.654 -7.129 9.973 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -2.742 -9.618 9.438 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -4.141 -6.956 10.289 1.00 0.00 C ATOM 0 H ILE A 73 -0.365 -9.824 7.388 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.006 -7.016 7.935 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.151 -8.053 8.099 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.116 -7.400 10.882 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.241 -6.181 9.628 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.738 -9.629 9.880 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.701 -10.335 8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.006 -9.890 10.195 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.264 -6.186 11.050 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.673 -6.661 9.385 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.547 -7.898 10.658 1.00 0.00 H new ATOM 1161 N GLU A 74 1.353 -7.886 8.682 1.00 0.00 N ATOM 1162 CA GLU A 74 2.578 -8.058 9.456 1.00 0.00 C ATOM 1163 C GLU A 74 2.653 -6.963 10.530 1.00 0.00 C ATOM 1164 O GLU A 74 1.917 -5.975 10.494 1.00 0.00 O ATOM 1165 CB GLU A 74 3.823 -8.019 8.541 1.00 0.00 C ATOM 1166 CG GLU A 74 4.600 -9.340 8.441 1.00 0.00 C ATOM 1167 CD GLU A 74 4.181 -10.189 7.254 1.00 0.00 C ATOM 1168 OE1 GLU A 74 4.217 -9.712 6.098 1.00 0.00 O ATOM 1169 OE2 GLU A 74 3.883 -11.385 7.441 1.00 0.00 O ATOM 0 H GLU A 74 1.486 -7.452 7.769 1.00 0.00 H new ATOM 0 HA GLU A 74 2.561 -9.035 9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.510 -7.723 7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.498 -7.245 8.905 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.666 -9.123 8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.454 -9.911 9.358 1.00 0.00 H new ATOM 1176 N GLY A 75 3.595 -7.129 11.459 1.00 0.00 N ATOM 1177 CA GLY A 75 3.929 -6.148 12.475 1.00 0.00 C ATOM 1178 C GLY A 75 5.377 -6.375 12.898 1.00 0.00 C ATOM 1179 O GLY A 75 5.751 -7.505 13.208 1.00 0.00 O ATOM 0 H GLY A 75 4.159 -7.976 11.521 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.801 -5.138 12.085 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.263 -6.246 13.332 1.00 0.00 H new ATOM 1183 N ARG A 76 6.188 -5.318 12.870 1.00 0.00 N ATOM 1184 CA ARG A 76 7.566 -5.254 13.325 1.00 0.00 C ATOM 1185 C ARG A 76 7.892 -3.754 13.305 1.00 0.00 C ATOM 1186 O ARG A 76 9.071 -3.395 13.493 1.00 0.00 O ATOM 1187 CB ARG A 76 8.494 -6.082 12.413 1.00 0.00 C ATOM 1188 CG ARG A 76 9.781 -6.513 13.135 1.00 0.00 C ATOM 1189 CD ARG A 76 10.698 -7.308 12.194 1.00 0.00 C ATOM 1190 NE ARG A 76 11.940 -7.719 12.874 1.00 0.00 N ATOM 1191 CZ ARG A 76 13.014 -8.251 12.267 1.00 0.00 C ATOM 1192 NH1 ARG A 76 12.988 -8.483 10.949 1.00 0.00 N ATOM 1193 NH2 ARG A 76 14.111 -8.547 12.975 1.00 0.00 N ATOM 1194 OXT ARG A 76 6.933 -2.975 13.069 1.00 0.00 O ATOM 0 H ARG A 76 5.871 -4.422 12.501 1.00 0.00 H new ATOM 0 HA ARG A 76 7.711 -5.682 14.317 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.962 -6.966 12.063 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.753 -5.495 11.531 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.308 -5.633 13.504 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.529 -7.122 14.003 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.172 -8.190 11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.942 -6.701 11.323 1.00 0.00 H new ATOM 0 HE ARG A 76 11.988 -7.589 13.885 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.154 -8.256 10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.802 -8.887 10.486 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.133 -8.369 13.979 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.924 -8.951 12.510 1.00 0.00 H new TER 1208 ARG A 76 HETATM 1209 CU CU1 A 77 4.980 2.330 -14.438 1.00 0.00 CU