USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 655 hydrogens (21 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.97 (180deg=-2.4!) USER MOD Single : A 2 ASN : amide:sc= -4.82! C(o=-4.8!,f=-8.5!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -141:sc= -0.067 (180deg=-1.33) USER MOD Single : A 14 ASN : amide:sc= -7.57! C(o=-7.6!,f=-4.7!) USER MOD Single : A 17 LYS NZ :NH3+ -108:sc= -14.8! (180deg=-23.3!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.115 USER MOD Single : A 22 LYS NZ :NH3+ -151:sc= -7.38! (180deg=-9.13!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 27 SER OG : rot 161:sc= -2.62! USER MOD Single : A 28 HIS : no HE2:sc= -10.3! C(o=-10!,f=-15!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -16.4! C(o=-16!,f=-9.1!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -13.7! C(o=-14!,f=-8.5!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.62! USER MOD Single : A 72 TYR OH : rot 180:sc= -1.32 USER MOD Single : A 75 GLN : amide:sc= 0.125 K(o=0.13,f=-0.84) USER MOD Single : A 76 ASN : amide:sc= -2.09! K(o=-2.1!,f=-1.5) USER MOD Single : A 78 MET CE :methyl 146:sc= -0.0127 (180deg=-1.37!) USER MOD Single : A 80 LYS NZ :NH3+ -148:sc= -5.12! (180deg=-8.33!) USER MOD Single : A 101 PNS O33 : rot -65:sc= -0.0187 USER MOD Single : A 101 PNS S44 : rot 180:sc= -7.48! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.908 -9.641 9.465 1.00 0.00 N ATOM 2 CA MET A 1 -4.803 -8.566 9.969 1.00 0.00 C ATOM 3 C MET A 1 -3.999 -7.404 10.543 1.00 0.00 C ATOM 4 O MET A 1 -3.869 -6.355 9.912 1.00 0.00 O ATOM 5 CB MET A 1 -5.716 -9.158 11.044 1.00 0.00 C ATOM 6 CG MET A 1 -5.158 -10.412 11.695 1.00 0.00 C ATOM 7 SD MET A 1 -5.188 -10.334 13.495 1.00 0.00 S ATOM 8 CE MET A 1 -3.934 -11.544 13.908 1.00 0.00 C ATOM 0 H1 MET A 1 -4.452 -10.520 9.350 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.509 -9.358 8.547 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.137 -9.798 10.145 1.00 0.00 H new ATOM 0 HA MET A 1 -5.397 -8.177 9.142 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.891 -8.407 11.814 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.684 -9.390 10.599 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.734 -11.276 11.363 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.132 -10.565 11.359 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.835 -11.611 14.991 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.222 -12.517 13.509 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.980 -11.242 13.475 1.00 0.00 H new ATOM 20 N ASN A 2 -3.463 -7.597 11.744 1.00 0.00 N ATOM 21 CA ASN A 2 -2.674 -6.565 12.402 1.00 0.00 C ATOM 22 C ASN A 2 -1.319 -6.397 11.730 1.00 0.00 C ATOM 23 O ASN A 2 -0.755 -5.309 11.719 1.00 0.00 O ATOM 24 CB ASN A 2 -2.480 -6.893 13.883 1.00 0.00 C ATOM 25 CG ASN A 2 -3.794 -7.132 14.600 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.624 -7.923 14.154 1.00 0.00 O ATOM 27 ND2 ASN A 2 -3.990 -6.445 15.720 1.00 0.00 N ATOM 0 H ASN A 2 -3.561 -8.459 12.280 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.223 -5.627 12.315 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.852 -7.779 13.977 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -1.949 -6.073 14.367 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -4.856 -6.563 16.246 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.275 -5.799 16.054 1.00 0.00 H new ATOM 34 N ASP A 3 -0.798 -7.486 11.185 1.00 0.00 N ATOM 35 CA ASP A 3 0.501 -7.460 10.520 1.00 0.00 C ATOM 36 C ASP A 3 0.504 -6.486 9.347 1.00 0.00 C ATOM 37 O ASP A 3 1.488 -5.787 9.108 1.00 0.00 O ATOM 38 CB ASP A 3 0.875 -8.862 10.033 1.00 0.00 C ATOM 39 CG ASP A 3 -0.178 -9.459 9.121 1.00 0.00 C ATOM 40 OD1 ASP A 3 -0.776 -8.701 8.329 1.00 0.00 O ATOM 41 OD2 ASP A 3 -0.406 -10.684 9.200 1.00 0.00 O ATOM 0 H ASP A 3 -1.252 -8.399 11.189 1.00 0.00 H new ATOM 0 HA ASP A 3 1.240 -7.121 11.246 1.00 0.00 H new ATOM 0 HB2 ASP A 3 1.827 -8.817 9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.019 -9.516 10.893 1.00 0.00 H new ATOM 46 N VAL A 4 -0.601 -6.451 8.618 1.00 0.00 N ATOM 47 CA VAL A 4 -0.734 -5.571 7.463 1.00 0.00 C ATOM 48 C VAL A 4 -0.856 -4.107 7.878 1.00 0.00 C ATOM 49 O VAL A 4 -0.170 -3.245 7.341 1.00 0.00 O ATOM 50 CB VAL A 4 -1.958 -5.950 6.607 1.00 0.00 C ATOM 51 CG1 VAL A 4 -1.707 -7.252 5.862 1.00 0.00 C ATOM 52 CG2 VAL A 4 -3.203 -6.051 7.473 1.00 0.00 C ATOM 0 H VAL A 4 -1.423 -7.024 8.806 1.00 0.00 H new ATOM 0 HA VAL A 4 0.174 -5.698 6.873 1.00 0.00 H new ATOM 0 HB VAL A 4 -2.121 -5.164 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.582 -7.503 5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.842 -7.137 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.517 -8.051 6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.058 -6.319 6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.055 -6.815 8.236 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.391 -5.091 7.953 1.00 0.00 H new ATOM 62 N LEU A 5 -1.741 -3.836 8.828 1.00 0.00 N ATOM 63 CA LEU A 5 -1.962 -2.478 9.308 1.00 0.00 C ATOM 64 C LEU A 5 -0.747 -1.944 10.055 1.00 0.00 C ATOM 65 O LEU A 5 -0.446 -0.755 10.006 1.00 0.00 O ATOM 66 CB LEU A 5 -3.188 -2.437 10.218 1.00 0.00 C ATOM 67 CG LEU A 5 -4.393 -1.689 9.649 1.00 0.00 C ATOM 68 CD1 LEU A 5 -5.273 -2.633 8.844 1.00 0.00 C ATOM 69 CD2 LEU A 5 -5.192 -1.038 10.769 1.00 0.00 C ATOM 0 H LEU A 5 -2.320 -4.542 9.283 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.130 -1.842 8.439 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.488 -3.460 10.443 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.905 -1.973 11.163 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.031 -0.905 8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.127 -2.084 8.446 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.697 -3.054 8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.628 -3.438 9.488 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.047 -0.509 10.347 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.544 -1.805 11.458 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.558 -0.332 11.306 1.00 0.00 H new ATOM 81 N THR A 6 -0.067 -2.829 10.764 1.00 0.00 N ATOM 82 CA THR A 6 1.103 -2.451 11.546 1.00 0.00 C ATOM 83 C THR A 6 2.235 -1.931 10.668 1.00 0.00 C ATOM 84 O THR A 6 2.717 -0.814 10.851 1.00 0.00 O ATOM 85 CB THR A 6 1.600 -3.641 12.366 1.00 0.00 C ATOM 86 OG1 THR A 6 1.668 -3.307 13.740 1.00 0.00 O ATOM 87 CG2 THR A 6 2.969 -4.122 11.944 1.00 0.00 C ATOM 0 H THR A 6 -0.305 -3.820 10.816 1.00 0.00 H new ATOM 0 HA THR A 6 0.796 -1.645 12.213 1.00 0.00 H new ATOM 0 HB THR A 6 0.879 -4.439 12.189 1.00 0.00 H new ATOM 0 HG1 THR A 6 1.986 -4.081 14.249 1.00 0.00 H new ATOM 0 HG21 THR A 6 3.265 -4.968 12.564 1.00 0.00 H new ATOM 0 HG22 THR A 6 2.940 -4.431 10.899 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.691 -3.314 12.064 1.00 0.00 H new ATOM 95 N ARG A 7 2.659 -2.757 9.725 1.00 0.00 N ATOM 96 CA ARG A 7 3.741 -2.401 8.823 1.00 0.00 C ATOM 97 C ARG A 7 3.258 -1.450 7.738 1.00 0.00 C ATOM 98 O ARG A 7 3.957 -0.510 7.362 1.00 0.00 O ATOM 99 CB ARG A 7 4.335 -3.658 8.187 1.00 0.00 C ATOM 100 CG ARG A 7 5.659 -3.414 7.479 1.00 0.00 C ATOM 101 CD ARG A 7 5.599 -3.848 6.023 1.00 0.00 C ATOM 102 NE ARG A 7 5.783 -5.289 5.874 1.00 0.00 N ATOM 103 CZ ARG A 7 6.469 -5.844 4.879 1.00 0.00 C ATOM 104 NH1 ARG A 7 7.032 -5.081 3.952 1.00 0.00 N ATOM 105 NH2 ARG A 7 6.592 -7.162 4.812 1.00 0.00 N ATOM 0 H ARG A 7 2.267 -3.685 9.564 1.00 0.00 H new ATOM 0 HA ARG A 7 4.512 -1.895 9.405 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.479 -4.413 8.960 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.620 -4.066 7.473 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.913 -2.355 7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.452 -3.959 7.990 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.638 -3.559 5.598 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.368 -3.324 5.456 1.00 0.00 H new ATOM 0 HE ARG A 7 5.362 -5.903 6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.939 -4.066 4.001 1.00 0.00 H new ATOM 0 HH12 ARG A 7 7.558 -5.509 3.190 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.160 -7.751 5.524 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.118 -7.587 4.049 1.00 0.00 H new ATOM 119 N VAL A 8 2.060 -1.710 7.232 1.00 0.00 N ATOM 120 CA VAL A 8 1.481 -0.891 6.182 1.00 0.00 C ATOM 121 C VAL A 8 1.190 0.522 6.676 1.00 0.00 C ATOM 122 O VAL A 8 1.581 1.503 6.042 1.00 0.00 O ATOM 123 CB VAL A 8 0.180 -1.510 5.637 1.00 0.00 C ATOM 124 CG1 VAL A 8 -1.002 -1.133 6.516 1.00 0.00 C ATOM 125 CG2 VAL A 8 -0.055 -1.078 4.199 1.00 0.00 C ATOM 0 H VAL A 8 1.470 -2.485 7.535 1.00 0.00 H new ATOM 0 HA VAL A 8 2.218 -0.846 5.380 1.00 0.00 H new ATOM 0 HB VAL A 8 0.282 -2.595 5.654 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.911 -1.580 6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.834 -1.500 7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.109 -0.048 6.536 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.978 -1.525 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.135 0.008 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.779 -1.407 3.579 1.00 0.00 H new ATOM 135 N LEU A 9 0.504 0.624 7.811 1.00 0.00 N ATOM 136 CA LEU A 9 0.172 1.927 8.379 1.00 0.00 C ATOM 137 C LEU A 9 1.440 2.718 8.685 1.00 0.00 C ATOM 138 O LEU A 9 1.539 3.904 8.368 1.00 0.00 O ATOM 139 CB LEU A 9 -0.661 1.758 9.654 1.00 0.00 C ATOM 140 CG LEU A 9 0.121 1.864 10.964 1.00 0.00 C ATOM 141 CD1 LEU A 9 0.146 3.302 11.455 1.00 0.00 C ATOM 142 CD2 LEU A 9 -0.484 0.951 12.017 1.00 0.00 C ATOM 0 H LEU A 9 0.169 -0.173 8.352 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.415 2.479 7.645 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.447 2.513 9.657 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.153 0.786 9.621 1.00 0.00 H new ATOM 0 HG LEU A 9 1.148 1.547 10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.707 3.358 12.388 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.623 3.934 10.706 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.874 3.647 11.623 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.084 1.038 12.943 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.519 1.240 12.197 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.451 -0.081 11.667 1.00 0.00 H new ATOM 154 N GLU A 10 2.408 2.047 9.298 1.00 0.00 N ATOM 155 CA GLU A 10 3.679 2.667 9.649 1.00 0.00 C ATOM 156 C GLU A 10 4.467 3.057 8.404 1.00 0.00 C ATOM 157 O GLU A 10 5.209 4.037 8.405 1.00 0.00 O ATOM 158 CB GLU A 10 4.509 1.721 10.516 1.00 0.00 C ATOM 159 CG GLU A 10 5.059 0.526 9.755 1.00 0.00 C ATOM 160 CD GLU A 10 6.445 0.126 10.220 1.00 0.00 C ATOM 161 OE1 GLU A 10 7.078 0.916 10.951 1.00 0.00 O ATOM 162 OE2 GLU A 10 6.899 -0.978 9.851 1.00 0.00 O ATOM 0 H GLU A 10 2.335 1.065 9.564 1.00 0.00 H new ATOM 0 HA GLU A 10 3.463 3.574 10.213 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.339 2.276 10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.894 1.364 11.342 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.382 -0.319 9.875 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.090 0.761 8.691 1.00 0.00 H new ATOM 169 N VAL A 11 4.318 2.264 7.356 1.00 0.00 N ATOM 170 CA VAL A 11 5.032 2.497 6.108 1.00 0.00 C ATOM 171 C VAL A 11 4.738 3.869 5.526 1.00 0.00 C ATOM 172 O VAL A 11 5.651 4.606 5.155 1.00 0.00 O ATOM 173 CB VAL A 11 4.684 1.438 5.060 1.00 0.00 C ATOM 174 CG1 VAL A 11 5.023 1.929 3.662 1.00 0.00 C ATOM 175 CG2 VAL A 11 5.390 0.126 5.360 1.00 0.00 C ATOM 0 H VAL A 11 3.706 1.448 7.343 1.00 0.00 H new ATOM 0 HA VAL A 11 6.092 2.438 6.354 1.00 0.00 H new ATOM 0 HB VAL A 11 3.610 1.260 5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.767 1.159 2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.456 2.835 3.447 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.090 2.146 3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.127 -0.611 4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.469 0.284 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.082 -0.237 6.340 1.00 0.00 H new ATOM 185 N VAL A 12 3.463 4.202 5.441 1.00 0.00 N ATOM 186 CA VAL A 12 3.041 5.485 4.890 1.00 0.00 C ATOM 187 C VAL A 12 3.436 6.647 5.800 1.00 0.00 C ATOM 188 O VAL A 12 4.035 7.624 5.351 1.00 0.00 O ATOM 189 CB VAL A 12 1.519 5.523 4.665 1.00 0.00 C ATOM 190 CG1 VAL A 12 0.998 4.142 4.299 1.00 0.00 C ATOM 191 CG2 VAL A 12 0.809 6.059 5.899 1.00 0.00 C ATOM 0 H VAL A 12 2.697 3.602 5.746 1.00 0.00 H new ATOM 0 HA VAL A 12 3.551 5.594 3.933 1.00 0.00 H new ATOM 0 HB VAL A 12 1.311 6.196 3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.080 4.189 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.482 3.801 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.218 3.444 5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.266 6.078 5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.024 5.414 6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.160 7.069 6.111 1.00 0.00 H new ATOM 201 N LYS A 13 3.084 6.539 7.075 1.00 0.00 N ATOM 202 CA LYS A 13 3.385 7.584 8.049 1.00 0.00 C ATOM 203 C LYS A 13 4.887 7.795 8.212 1.00 0.00 C ATOM 204 O LYS A 13 5.334 8.888 8.559 1.00 0.00 O ATOM 205 CB LYS A 13 2.769 7.232 9.402 1.00 0.00 C ATOM 206 CG LYS A 13 1.332 6.753 9.311 1.00 0.00 C ATOM 207 CD LYS A 13 0.833 6.252 10.655 1.00 0.00 C ATOM 208 CE LYS A 13 -0.561 5.657 10.545 1.00 0.00 C ATOM 209 NZ LYS A 13 -1.518 6.598 9.900 1.00 0.00 N ATOM 0 H LYS A 13 2.588 5.736 7.461 1.00 0.00 H new ATOM 0 HA LYS A 13 2.954 8.513 7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.372 6.457 9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.811 8.108 10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.696 7.568 8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.258 5.955 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.521 5.501 11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.823 7.074 11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.517 4.733 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.923 5.396 11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.441 6.535 10.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.154 7.569 9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.628 6.347 8.897 1.00 0.00 H new ATOM 223 N ASN A 14 5.663 6.744 7.975 1.00 0.00 N ATOM 224 CA ASN A 14 7.107 6.819 8.113 1.00 0.00 C ATOM 225 C ASN A 14 7.781 6.989 6.759 1.00 0.00 C ATOM 226 O ASN A 14 9.003 7.109 6.672 1.00 0.00 O ATOM 227 CB ASN A 14 7.643 5.566 8.807 1.00 0.00 C ATOM 228 CG ASN A 14 6.946 5.290 10.125 1.00 0.00 C ATOM 229 OD1 ASN A 14 6.889 6.151 11.003 1.00 0.00 O ATOM 230 ND2 ASN A 14 6.411 4.084 10.269 1.00 0.00 N ATOM 0 H ASN A 14 5.313 5.830 7.686 1.00 0.00 H new ATOM 0 HA ASN A 14 7.338 7.692 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.519 4.708 8.147 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.713 5.681 8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.929 3.840 11.134 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.482 3.401 9.515 1.00 0.00 H new ATOM 237 N PHE A 15 6.977 6.987 5.706 1.00 0.00 N ATOM 238 CA PHE A 15 7.488 7.129 4.359 1.00 0.00 C ATOM 239 C PHE A 15 7.371 8.573 3.876 1.00 0.00 C ATOM 240 O PHE A 15 7.813 8.907 2.776 1.00 0.00 O ATOM 241 CB PHE A 15 6.747 6.171 3.426 1.00 0.00 C ATOM 242 CG PHE A 15 6.511 6.711 2.049 1.00 0.00 C ATOM 243 CD1 PHE A 15 7.564 7.152 1.267 1.00 0.00 C ATOM 244 CD2 PHE A 15 5.228 6.766 1.537 1.00 0.00 C ATOM 245 CE1 PHE A 15 7.341 7.640 -0.006 1.00 0.00 C ATOM 246 CE2 PHE A 15 4.996 7.254 0.265 1.00 0.00 C ATOM 247 CZ PHE A 15 6.054 7.692 -0.507 1.00 0.00 C ATOM 0 H PHE A 15 5.963 6.888 5.764 1.00 0.00 H new ATOM 0 HA PHE A 15 8.548 6.873 4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.317 5.245 3.348 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.786 5.917 3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.571 7.114 1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.398 6.424 2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.170 7.980 -0.608 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.989 7.293 -0.124 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.876 8.075 -1.501 1.00 0.00 H new ATOM 257 N GLU A 16 6.791 9.430 4.712 1.00 0.00 N ATOM 258 CA GLU A 16 6.636 10.842 4.375 1.00 0.00 C ATOM 259 C GLU A 16 5.211 11.165 3.936 1.00 0.00 C ATOM 260 O GLU A 16 5.000 12.014 3.069 1.00 0.00 O ATOM 261 CB GLU A 16 7.616 11.229 3.268 1.00 0.00 C ATOM 262 CG GLU A 16 7.062 11.019 1.872 1.00 0.00 C ATOM 263 CD GLU A 16 7.078 12.287 1.040 1.00 0.00 C ATOM 264 OE1 GLU A 16 6.493 13.297 1.486 1.00 0.00 O ATOM 265 OE2 GLU A 16 7.674 12.270 -0.058 1.00 0.00 O ATOM 0 H GLU A 16 6.421 9.172 5.627 1.00 0.00 H new ATOM 0 HA GLU A 16 6.851 11.420 5.274 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.892 12.277 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.529 10.644 3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.645 10.250 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.039 10.649 1.943 1.00 0.00 H new ATOM 272 N LYS A 17 4.235 10.490 4.532 1.00 0.00 N ATOM 273 CA LYS A 17 2.841 10.717 4.190 1.00 0.00 C ATOM 274 C LYS A 17 2.248 11.853 5.017 1.00 0.00 C ATOM 275 O LYS A 17 1.626 12.766 4.475 1.00 0.00 O ATOM 276 CB LYS A 17 2.026 9.441 4.398 1.00 0.00 C ATOM 277 CG LYS A 17 1.816 8.642 3.123 1.00 0.00 C ATOM 278 CD LYS A 17 3.132 8.123 2.568 1.00 0.00 C ATOM 279 CE LYS A 17 3.839 9.176 1.730 1.00 0.00 C ATOM 280 NZ LYS A 17 3.233 9.307 0.377 1.00 0.00 N ATOM 0 H LYS A 17 4.385 9.783 5.252 1.00 0.00 H new ATOM 0 HA LYS A 17 2.798 11.000 3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.530 8.813 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.055 9.704 4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.149 7.804 3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.327 9.268 2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.779 7.817 3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.947 7.237 1.960 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.795 10.137 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.893 8.915 1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.877 8.903 -0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.326 8.798 0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.072 10.312 0.165 1.00 0.00 H new ATOM 294 N VAL A 18 2.444 11.793 6.329 1.00 0.00 N ATOM 295 CA VAL A 18 1.926 12.822 7.221 1.00 0.00 C ATOM 296 C VAL A 18 2.183 12.471 8.682 1.00 0.00 C ATOM 297 O VAL A 18 2.380 11.305 9.024 1.00 0.00 O ATOM 298 CB VAL A 18 0.414 13.033 7.014 1.00 0.00 C ATOM 299 CG1 VAL A 18 0.151 14.350 6.303 1.00 0.00 C ATOM 300 CG2 VAL A 18 -0.186 11.870 6.240 1.00 0.00 C ATOM 0 H VAL A 18 2.956 11.045 6.797 1.00 0.00 H new ATOM 0 HA VAL A 18 2.453 13.744 6.977 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.066 13.074 7.992 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.922 14.481 6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.543 15.172 6.902 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.643 14.343 5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.255 12.037 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.297 11.794 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.031 10.945 6.795 1.00 0.00 H new ATOM 310 N ASP A 19 2.173 13.485 9.539 1.00 0.00 N ATOM 311 CA ASP A 19 2.399 13.283 10.962 1.00 0.00 C ATOM 312 C ASP A 19 1.215 12.560 11.597 1.00 0.00 C ATOM 313 O ASP A 19 0.073 13.006 11.485 1.00 0.00 O ATOM 314 CB ASP A 19 2.628 14.623 11.661 1.00 0.00 C ATOM 315 CG ASP A 19 3.928 14.653 12.441 1.00 0.00 C ATOM 316 OD1 ASP A 19 4.789 13.783 12.196 1.00 0.00 O ATOM 317 OD2 ASP A 19 4.085 15.548 13.299 1.00 0.00 O ATOM 0 H ASP A 19 2.010 14.456 9.271 1.00 0.00 H new ATOM 0 HA ASP A 19 3.290 12.666 11.081 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.635 15.421 10.918 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.797 14.824 12.337 1.00 0.00 H new ATOM 322 N ALA A 20 1.492 11.442 12.259 1.00 0.00 N ATOM 323 CA ALA A 20 0.445 10.660 12.905 1.00 0.00 C ATOM 324 C ALA A 20 -0.326 11.503 13.915 1.00 0.00 C ATOM 325 O ALA A 20 -1.470 11.195 14.253 1.00 0.00 O ATOM 326 CB ALA A 20 1.043 9.437 13.583 1.00 0.00 C ATOM 0 H ALA A 20 2.431 11.058 12.362 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.255 10.331 12.137 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.250 8.862 14.061 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.543 8.817 12.839 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.765 9.755 14.335 1.00 0.00 H new ATOM 332 N SER A 21 0.308 12.565 14.392 1.00 0.00 N ATOM 333 CA SER A 21 -0.312 13.454 15.366 1.00 0.00 C ATOM 334 C SER A 21 -1.471 14.228 14.744 1.00 0.00 C ATOM 335 O SER A 21 -2.196 14.940 15.438 1.00 0.00 O ATOM 336 CB SER A 21 0.722 14.430 15.928 1.00 0.00 C ATOM 337 OG SER A 21 1.936 14.364 15.198 1.00 0.00 O ATOM 0 H SER A 21 1.254 12.833 14.120 1.00 0.00 H new ATOM 0 HA SER A 21 -0.704 12.841 16.177 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.326 15.445 15.891 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.912 14.200 16.976 1.00 0.00 H new ATOM 0 HG SER A 21 2.580 14.999 15.576 1.00 0.00 H new ATOM 343 N LYS A 22 -1.639 14.086 13.433 1.00 0.00 N ATOM 344 CA LYS A 22 -2.704 14.773 12.723 1.00 0.00 C ATOM 345 C LYS A 22 -3.670 13.782 12.083 1.00 0.00 C ATOM 346 O LYS A 22 -4.778 14.148 11.689 1.00 0.00 O ATOM 347 CB LYS A 22 -2.121 15.696 11.651 1.00 0.00 C ATOM 348 CG LYS A 22 -2.965 15.771 10.390 1.00 0.00 C ATOM 349 CD LYS A 22 -2.717 14.575 9.486 1.00 0.00 C ATOM 350 CE LYS A 22 -1.302 14.577 8.933 1.00 0.00 C ATOM 351 NZ LYS A 22 -0.657 15.914 9.056 1.00 0.00 N ATOM 0 H LYS A 22 -1.049 13.500 12.843 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.256 15.370 13.449 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.012 16.698 12.066 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.121 15.349 11.389 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.021 15.813 10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.736 16.690 9.851 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.889 13.654 10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.430 14.587 8.662 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.704 13.836 9.464 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.322 14.279 7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.037 16.036 8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.382 16.657 8.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.175 15.984 9.975 1.00 0.00 H new ATOM 365 N VAL A 23 -3.245 12.528 11.974 1.00 0.00 N ATOM 366 CA VAL A 23 -4.073 11.493 11.374 1.00 0.00 C ATOM 367 C VAL A 23 -5.090 10.944 12.369 1.00 0.00 C ATOM 368 O VAL A 23 -4.731 10.483 13.451 1.00 0.00 O ATOM 369 CB VAL A 23 -3.220 10.329 10.836 1.00 0.00 C ATOM 370 CG1 VAL A 23 -2.275 10.816 9.749 1.00 0.00 C ATOM 371 CG2 VAL A 23 -2.448 9.666 11.966 1.00 0.00 C ATOM 0 H VAL A 23 -2.332 12.206 12.294 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.602 11.962 10.544 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.887 9.587 10.398 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.681 9.979 9.382 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.853 11.239 8.927 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.613 11.579 10.158 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.851 8.846 11.567 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.791 10.398 12.436 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.148 9.278 12.706 1.00 0.00 H new ATOM 381 N THR A 24 -6.363 10.993 11.988 1.00 0.00 N ATOM 382 CA THR A 24 -7.435 10.501 12.830 1.00 0.00 C ATOM 383 C THR A 24 -8.108 9.288 12.191 1.00 0.00 C ATOM 384 O THR A 24 -7.865 8.977 11.025 1.00 0.00 O ATOM 385 CB THR A 24 -8.463 11.603 13.087 1.00 0.00 C ATOM 386 OG1 THR A 24 -8.611 11.837 14.476 1.00 0.00 O ATOM 387 CG2 THR A 24 -9.834 11.289 12.526 1.00 0.00 C ATOM 0 H THR A 24 -6.673 11.373 11.094 1.00 0.00 H new ATOM 0 HA THR A 24 -7.006 10.195 13.784 1.00 0.00 H new ATOM 0 HB THR A 24 -8.073 12.484 12.577 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.272 12.546 14.620 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.514 12.113 12.744 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.763 11.153 11.447 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.213 10.375 12.983 1.00 0.00 H new ATOM 395 N PRO A 25 -8.966 8.587 12.947 1.00 0.00 N ATOM 396 CA PRO A 25 -9.674 7.405 12.447 1.00 0.00 C ATOM 397 C PRO A 25 -10.553 7.730 11.244 1.00 0.00 C ATOM 398 O PRO A 25 -10.690 6.921 10.325 1.00 0.00 O ATOM 399 CB PRO A 25 -10.534 6.962 13.637 1.00 0.00 C ATOM 400 CG PRO A 25 -10.607 8.152 14.533 1.00 0.00 C ATOM 401 CD PRO A 25 -9.313 8.891 14.342 1.00 0.00 C ATOM 0 HA PRO A 25 -8.985 6.635 12.101 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -11.527 6.653 13.311 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.087 6.110 14.150 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.458 8.782 14.277 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.735 7.851 15.573 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.431 9.962 14.505 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.545 8.546 15.034 1.00 0.00 H new ATOM 409 N GLU A 26 -11.140 8.922 11.253 1.00 0.00 N ATOM 410 CA GLU A 26 -11.996 9.362 10.165 1.00 0.00 C ATOM 411 C GLU A 26 -11.272 10.376 9.285 1.00 0.00 C ATOM 412 O GLU A 26 -11.889 11.061 8.469 1.00 0.00 O ATOM 413 CB GLU A 26 -13.286 9.974 10.716 1.00 0.00 C ATOM 414 CG GLU A 26 -13.072 11.292 11.440 1.00 0.00 C ATOM 415 CD GLU A 26 -14.375 11.974 11.808 1.00 0.00 C ATOM 416 OE1 GLU A 26 -15.040 11.510 12.758 1.00 0.00 O ATOM 417 OE2 GLU A 26 -14.731 12.972 11.146 1.00 0.00 O ATOM 0 H GLU A 26 -11.036 9.601 12.007 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.248 8.493 9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.985 10.130 9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.752 9.265 11.400 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.491 11.115 12.345 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.484 11.958 10.809 1.00 0.00 H new ATOM 424 N SER A 27 -9.959 10.471 9.465 1.00 0.00 N ATOM 425 CA SER A 27 -9.145 11.405 8.699 1.00 0.00 C ATOM 426 C SER A 27 -9.131 11.046 7.218 1.00 0.00 C ATOM 427 O SER A 27 -8.934 9.889 6.849 1.00 0.00 O ATOM 428 CB SER A 27 -7.714 11.427 9.242 1.00 0.00 C ATOM 429 OG SER A 27 -6.777 11.651 8.202 1.00 0.00 O ATOM 0 H SER A 27 -9.435 9.910 10.137 1.00 0.00 H new ATOM 0 HA SER A 27 -9.587 12.396 8.804 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.620 12.209 9.995 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.495 10.480 9.736 1.00 0.00 H new ATOM 0 HG SER A 27 -5.929 11.958 8.586 1.00 0.00 H new ATOM 435 N HIS A 28 -9.335 12.050 6.373 1.00 0.00 N ATOM 436 CA HIS A 28 -9.343 11.854 4.934 1.00 0.00 C ATOM 437 C HIS A 28 -7.917 11.786 4.394 1.00 0.00 C ATOM 438 O HIS A 28 -7.008 12.405 4.943 1.00 0.00 O ATOM 439 CB HIS A 28 -10.110 12.983 4.245 1.00 0.00 C ATOM 440 CG HIS A 28 -11.529 12.631 3.920 1.00 0.00 C ATOM 441 ND1 HIS A 28 -11.909 12.066 2.721 1.00 0.00 N ATOM 442 CD2 HIS A 28 -12.664 12.766 4.646 1.00 0.00 C ATOM 443 CE1 HIS A 28 -13.215 11.870 2.722 1.00 0.00 C ATOM 444 NE2 HIS A 28 -13.697 12.286 3.879 1.00 0.00 N ATOM 0 H HIS A 28 -9.498 13.013 6.666 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.843 10.909 4.721 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.101 13.863 4.888 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.592 13.255 3.325 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -11.279 11.835 1.953 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -12.742 13.175 5.643 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -13.791 11.442 1.914 1.00 0.00 H new ATOM 453 N PHE A 29 -7.726 11.030 3.321 1.00 0.00 N ATOM 454 CA PHE A 29 -6.409 10.884 2.718 1.00 0.00 C ATOM 455 C PHE A 29 -5.944 12.193 2.095 1.00 0.00 C ATOM 456 O PHE A 29 -5.154 12.931 2.683 1.00 0.00 O ATOM 457 CB PHE A 29 -6.428 9.779 1.659 1.00 0.00 C ATOM 458 CG PHE A 29 -5.058 9.303 1.264 1.00 0.00 C ATOM 459 CD1 PHE A 29 -4.105 10.199 0.808 1.00 0.00 C ATOM 460 CD2 PHE A 29 -4.727 7.961 1.347 1.00 0.00 C ATOM 461 CE1 PHE A 29 -2.844 9.764 0.443 1.00 0.00 C ATOM 462 CE2 PHE A 29 -3.469 7.519 0.983 1.00 0.00 C ATOM 463 CZ PHE A 29 -2.526 8.422 0.530 1.00 0.00 C ATOM 0 H PHE A 29 -8.466 10.509 2.851 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.707 10.611 3.506 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.002 8.934 2.038 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.946 10.145 0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.349 11.249 0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.460 7.251 1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.109 10.472 0.090 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.223 6.470 1.052 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.542 8.079 0.245 1.00 0.00 H new ATOM 473 N VAL A 30 -6.437 12.470 0.899 1.00 0.00 N ATOM 474 CA VAL A 30 -6.077 13.686 0.182 1.00 0.00 C ATOM 475 C VAL A 30 -6.550 14.929 0.921 1.00 0.00 C ATOM 476 O VAL A 30 -5.922 15.985 0.850 1.00 0.00 O ATOM 477 CB VAL A 30 -6.662 13.693 -1.243 1.00 0.00 C ATOM 478 CG1 VAL A 30 -5.800 12.864 -2.181 1.00 0.00 C ATOM 479 CG2 VAL A 30 -8.096 13.185 -1.234 1.00 0.00 C ATOM 0 H VAL A 30 -7.091 11.867 0.401 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.989 13.701 0.121 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.667 14.720 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.231 12.882 -3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.793 13.279 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.758 11.835 -1.823 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.493 13.197 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.119 12.166 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.706 13.827 -0.599 1.00 0.00 H new ATOM 489 N LYS A 31 -7.665 14.795 1.618 1.00 0.00 N ATOM 490 CA LYS A 31 -8.242 15.902 2.366 1.00 0.00 C ATOM 491 C LYS A 31 -7.430 16.219 3.619 1.00 0.00 C ATOM 492 O LYS A 31 -7.411 17.358 4.083 1.00 0.00 O ATOM 493 CB LYS A 31 -9.688 15.583 2.752 1.00 0.00 C ATOM 494 CG LYS A 31 -10.423 14.746 1.718 1.00 0.00 C ATOM 495 CD LYS A 31 -11.905 14.641 2.039 1.00 0.00 C ATOM 496 CE LYS A 31 -12.678 15.833 1.497 1.00 0.00 C ATOM 497 NZ LYS A 31 -13.689 15.426 0.484 1.00 0.00 N ATOM 0 H LYS A 31 -8.193 13.925 1.682 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.223 16.780 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.693 15.054 3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.230 16.517 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.294 15.189 0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.986 13.748 1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.306 13.721 1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.041 14.578 3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.175 16.347 2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.983 16.544 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.194 16.268 0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.213 14.958 -0.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.368 14.768 0.916 1.00 0.00 H new ATOM 511 N ASP A 32 -6.770 15.206 4.173 1.00 0.00 N ATOM 512 CA ASP A 32 -5.974 15.385 5.377 1.00 0.00 C ATOM 513 C ASP A 32 -4.554 15.835 5.048 1.00 0.00 C ATOM 514 O ASP A 32 -3.739 16.036 5.948 1.00 0.00 O ATOM 515 CB ASP A 32 -5.935 14.089 6.187 1.00 0.00 C ATOM 516 CG ASP A 32 -5.247 14.265 7.527 1.00 0.00 C ATOM 517 OD1 ASP A 32 -5.051 15.426 7.945 1.00 0.00 O ATOM 518 OD2 ASP A 32 -4.905 13.243 8.157 1.00 0.00 O ATOM 0 H ASP A 32 -6.772 14.254 3.806 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.447 16.167 5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.953 13.734 6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.416 13.321 5.613 1.00 0.00 H new ATOM 523 N LEU A 33 -4.265 15.996 3.759 1.00 0.00 N ATOM 524 CA LEU A 33 -2.941 16.429 3.315 1.00 0.00 C ATOM 525 C LEU A 33 -2.378 15.484 2.257 1.00 0.00 C ATOM 526 O LEU A 33 -1.163 15.371 2.098 1.00 0.00 O ATOM 527 CB LEU A 33 -1.976 16.514 4.501 1.00 0.00 C ATOM 528 CG LEU A 33 -2.156 17.742 5.396 1.00 0.00 C ATOM 529 CD1 LEU A 33 -1.961 17.371 6.857 1.00 0.00 C ATOM 530 CD2 LEU A 33 -1.189 18.843 4.988 1.00 0.00 C ATOM 0 H LEU A 33 -4.930 15.833 3.003 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.049 17.419 2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.094 15.618 5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.955 16.508 4.120 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.173 18.114 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.093 18.257 7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.694 16.616 7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.956 16.974 7.000 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.330 19.709 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.165 18.482 5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.378 19.128 3.953 1.00 0.00 H new ATOM 542 N GLY A 34 -3.267 14.808 1.537 1.00 0.00 N ATOM 543 CA GLY A 34 -2.838 13.884 0.502 1.00 0.00 C ATOM 544 C GLY A 34 -1.401 14.112 0.074 1.00 0.00 C ATOM 545 O GLY A 34 -0.960 15.252 -0.065 1.00 0.00 O ATOM 0 H GLY A 34 -4.278 14.883 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.947 12.862 0.865 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.492 13.986 -0.364 1.00 0.00 H new ATOM 549 N LEU A 35 -0.671 13.022 -0.135 1.00 0.00 N ATOM 550 CA LEU A 35 0.722 13.099 -0.551 1.00 0.00 C ATOM 551 C LEU A 35 0.831 13.241 -2.066 1.00 0.00 C ATOM 552 O LEU A 35 -0.076 12.853 -2.801 1.00 0.00 O ATOM 553 CB LEU A 35 1.484 11.857 -0.087 1.00 0.00 C ATOM 554 CG LEU A 35 0.945 11.201 1.184 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.213 12.221 2.043 1.00 0.00 C ATOM 556 CD2 LEU A 35 0.027 10.039 0.835 1.00 0.00 C ATOM 0 H LEU A 35 -1.024 12.072 -0.022 1.00 0.00 H new ATOM 0 HA LEU A 35 1.165 13.982 -0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.471 11.121 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.526 12.130 0.078 1.00 0.00 H new ATOM 0 HG LEU A 35 1.788 10.814 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.164 11.735 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.899 13.021 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.622 12.639 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.348 9.583 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.812 10.403 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.582 9.297 0.261 1.00 0.00 H new ATOM 568 N ASN A 36 1.946 13.800 -2.527 1.00 0.00 N ATOM 569 CA ASN A 36 2.169 13.990 -3.955 1.00 0.00 C ATOM 570 C ASN A 36 1.871 12.707 -4.724 1.00 0.00 C ATOM 571 O ASN A 36 1.510 11.688 -4.135 1.00 0.00 O ATOM 572 CB ASN A 36 3.607 14.435 -4.220 1.00 0.00 C ATOM 573 CG ASN A 36 4.508 14.211 -3.027 1.00 0.00 C ATOM 574 OD1 ASN A 36 4.997 15.158 -2.410 1.00 0.00 O ATOM 575 ND2 ASN A 36 4.730 12.951 -2.700 1.00 0.00 N ATOM 0 H ASN A 36 2.707 14.129 -1.933 1.00 0.00 H new ATOM 0 HA ASN A 36 1.490 14.770 -4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.001 13.889 -5.077 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.615 15.492 -4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.329 12.728 -1.905 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.302 12.200 -3.242 1.00 0.00 H new ATOM 582 N SER A 37 2.020 12.764 -6.043 1.00 0.00 N ATOM 583 CA SER A 37 1.761 11.608 -6.891 1.00 0.00 C ATOM 584 C SER A 37 2.737 10.478 -6.600 1.00 0.00 C ATOM 585 O SER A 37 2.341 9.386 -6.189 1.00 0.00 O ATOM 586 CB SER A 37 1.846 12.002 -8.367 1.00 0.00 C ATOM 587 OG SER A 37 2.374 13.310 -8.516 1.00 0.00 O ATOM 0 H SER A 37 2.319 13.599 -6.547 1.00 0.00 H new ATOM 0 HA SER A 37 0.754 11.253 -6.671 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.475 11.290 -8.901 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.855 11.953 -8.818 1.00 0.00 H new ATOM 592 N LEU A 38 4.011 10.750 -6.825 1.00 0.00 N ATOM 593 CA LEU A 38 5.060 9.763 -6.605 1.00 0.00 C ATOM 594 C LEU A 38 4.959 9.146 -5.211 1.00 0.00 C ATOM 595 O LEU A 38 5.583 8.121 -4.928 1.00 0.00 O ATOM 596 CB LEU A 38 6.439 10.397 -6.812 1.00 0.00 C ATOM 597 CG LEU A 38 6.938 11.293 -5.682 1.00 0.00 C ATOM 598 CD1 LEU A 38 7.463 12.608 -6.238 1.00 0.00 C ATOM 599 CD2 LEU A 38 5.839 11.549 -4.665 1.00 0.00 C ATOM 0 H LEU A 38 4.348 11.652 -7.162 1.00 0.00 H new ATOM 0 HA LEU A 38 4.927 8.963 -7.334 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.165 9.599 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.413 10.984 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 38 7.754 10.777 -5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.815 13.235 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.287 12.410 -6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.664 13.123 -6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.221 12.190 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.998 12.040 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.509 10.601 -4.240 1.00 0.00 H new ATOM 611 N ASP A 39 4.165 9.767 -4.345 1.00 0.00 N ATOM 612 CA ASP A 39 3.985 9.270 -2.987 1.00 0.00 C ATOM 613 C ASP A 39 3.047 8.070 -2.969 1.00 0.00 C ATOM 614 O ASP A 39 3.474 6.931 -3.156 1.00 0.00 O ATOM 615 CB ASP A 39 3.443 10.376 -2.080 1.00 0.00 C ATOM 616 CG ASP A 39 4.510 10.946 -1.167 1.00 0.00 C ATOM 617 OD1 ASP A 39 5.540 10.269 -0.962 1.00 0.00 O ATOM 618 OD2 ASP A 39 4.316 12.068 -0.656 1.00 0.00 O ATOM 0 H ASP A 39 3.637 10.613 -4.559 1.00 0.00 H new ATOM 0 HA ASP A 39 4.958 8.953 -2.611 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.028 11.176 -2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.626 9.980 -1.477 1.00 0.00 H new ATOM 623 N VAL A 40 1.768 8.335 -2.745 1.00 0.00 N ATOM 624 CA VAL A 40 0.767 7.279 -2.703 1.00 0.00 C ATOM 625 C VAL A 40 1.083 6.181 -3.709 1.00 0.00 C ATOM 626 O VAL A 40 0.742 5.022 -3.495 1.00 0.00 O ATOM 627 CB VAL A 40 -0.650 7.815 -2.970 1.00 0.00 C ATOM 628 CG1 VAL A 40 -0.960 7.795 -4.459 1.00 0.00 C ATOM 629 CG2 VAL A 40 -1.673 7.002 -2.191 1.00 0.00 C ATOM 0 H VAL A 40 1.399 9.273 -2.589 1.00 0.00 H new ATOM 0 HA VAL A 40 0.797 6.867 -1.694 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.702 8.850 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.967 8.178 -4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.241 8.420 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.894 6.772 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.672 7.390 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.621 5.959 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.459 7.074 -1.125 1.00 0.00 H new ATOM 639 N VAL A 41 1.726 6.548 -4.812 1.00 0.00 N ATOM 640 CA VAL A 41 2.077 5.581 -5.844 1.00 0.00 C ATOM 641 C VAL A 41 3.109 4.580 -5.331 1.00 0.00 C ATOM 642 O VAL A 41 2.936 3.371 -5.469 1.00 0.00 O ATOM 643 CB VAL A 41 2.629 6.266 -7.107 1.00 0.00 C ATOM 644 CG1 VAL A 41 3.598 7.376 -6.737 1.00 0.00 C ATOM 645 CG2 VAL A 41 3.297 5.247 -8.018 1.00 0.00 C ATOM 0 H VAL A 41 2.014 7.506 -5.014 1.00 0.00 H new ATOM 0 HA VAL A 41 1.157 5.056 -6.103 1.00 0.00 H new ATOM 0 HB VAL A 41 1.794 6.712 -7.648 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.976 7.847 -7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.084 8.121 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.431 6.958 -6.171 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.681 5.749 -8.906 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.120 4.769 -7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.569 4.492 -8.315 1.00 0.00 H new ATOM 655 N GLU A 42 4.187 5.090 -4.744 1.00 0.00 N ATOM 656 CA GLU A 42 5.243 4.231 -4.217 1.00 0.00 C ATOM 657 C GLU A 42 4.717 3.335 -3.104 1.00 0.00 C ATOM 658 O GLU A 42 5.015 2.141 -3.055 1.00 0.00 O ATOM 659 CB GLU A 42 6.407 5.076 -3.700 1.00 0.00 C ATOM 660 CG GLU A 42 6.362 5.317 -2.201 1.00 0.00 C ATOM 661 CD GLU A 42 7.729 5.613 -1.617 1.00 0.00 C ATOM 662 OE1 GLU A 42 8.521 6.313 -2.282 1.00 0.00 O ATOM 663 OE2 GLU A 42 8.009 5.144 -0.493 1.00 0.00 O ATOM 0 H GLU A 42 4.353 6.089 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 42 5.596 3.596 -5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.345 4.581 -3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.405 6.037 -4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.693 6.151 -1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.943 4.440 -1.708 1.00 0.00 H new ATOM 670 N VAL A 43 3.940 3.925 -2.212 1.00 0.00 N ATOM 671 CA VAL A 43 3.368 3.198 -1.087 1.00 0.00 C ATOM 672 C VAL A 43 2.332 2.181 -1.544 1.00 0.00 C ATOM 673 O VAL A 43 2.296 1.048 -1.062 1.00 0.00 O ATOM 674 CB VAL A 43 2.700 4.151 -0.081 1.00 0.00 C ATOM 675 CG1 VAL A 43 2.038 5.316 -0.798 1.00 0.00 C ATOM 676 CG2 VAL A 43 1.688 3.402 0.756 1.00 0.00 C ATOM 0 H VAL A 43 3.688 4.913 -2.244 1.00 0.00 H new ATOM 0 HA VAL A 43 4.198 2.680 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 43 3.471 4.552 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.572 5.976 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.789 5.870 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.278 4.938 -1.481 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.222 4.088 1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.923 2.976 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.188 2.602 1.301 1.00 0.00 H new ATOM 686 N VAL A 44 1.486 2.606 -2.464 1.00 0.00 N ATOM 687 CA VAL A 44 0.428 1.756 -2.993 1.00 0.00 C ATOM 688 C VAL A 44 0.993 0.484 -3.604 1.00 0.00 C ATOM 689 O VAL A 44 0.623 -0.621 -3.207 1.00 0.00 O ATOM 690 CB VAL A 44 -0.415 2.496 -4.052 1.00 0.00 C ATOM 691 CG1 VAL A 44 0.425 2.836 -5.271 1.00 0.00 C ATOM 692 CG2 VAL A 44 -1.628 1.666 -4.443 1.00 0.00 C ATOM 0 H VAL A 44 1.510 3.543 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.212 1.493 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.767 3.431 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.191 3.357 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.255 3.477 -4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.815 1.918 -5.712 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.211 2.204 -5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.299 0.713 -4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.245 1.486 -3.563 1.00 0.00 H new ATOM 702 N PHE A 45 1.891 0.640 -4.570 1.00 0.00 N ATOM 703 CA PHE A 45 2.496 -0.507 -5.222 1.00 0.00 C ATOM 704 C PHE A 45 3.570 -1.124 -4.337 1.00 0.00 C ATOM 705 O PHE A 45 4.112 -2.186 -4.646 1.00 0.00 O ATOM 706 CB PHE A 45 3.067 -0.118 -6.589 1.00 0.00 C ATOM 707 CG PHE A 45 4.301 0.733 -6.529 1.00 0.00 C ATOM 708 CD1 PHE A 45 5.515 0.195 -6.132 1.00 0.00 C ATOM 709 CD2 PHE A 45 4.249 2.070 -6.888 1.00 0.00 C ATOM 710 CE1 PHE A 45 6.653 0.975 -6.093 1.00 0.00 C ATOM 711 CE2 PHE A 45 5.384 2.856 -6.849 1.00 0.00 C ATOM 712 CZ PHE A 45 6.588 2.308 -6.452 1.00 0.00 C ATOM 0 H PHE A 45 2.212 1.545 -4.915 1.00 0.00 H new ATOM 0 HA PHE A 45 1.721 -1.256 -5.384 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.295 -1.027 -7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.300 0.416 -7.150 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.571 -0.846 -5.850 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.310 2.503 -7.202 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.593 0.544 -5.782 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.330 3.898 -7.129 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.477 2.920 -6.422 1.00 0.00 H new ATOM 722 N ALA A 46 3.857 -0.463 -3.217 1.00 0.00 N ATOM 723 CA ALA A 46 4.844 -0.960 -2.275 1.00 0.00 C ATOM 724 C ALA A 46 4.244 -2.068 -1.426 1.00 0.00 C ATOM 725 O ALA A 46 4.724 -3.205 -1.418 1.00 0.00 O ATOM 726 CB ALA A 46 5.360 0.170 -1.397 1.00 0.00 C ATOM 0 H ALA A 46 3.418 0.416 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 46 5.687 -1.368 -2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.099 -0.221 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.821 0.935 -2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.530 0.607 -0.842 1.00 0.00 H new ATOM 732 N ILE A 47 3.175 -1.726 -0.727 1.00 0.00 N ATOM 733 CA ILE A 47 2.480 -2.683 0.118 1.00 0.00 C ATOM 734 C ILE A 47 2.089 -3.911 -0.691 1.00 0.00 C ATOM 735 O ILE A 47 2.220 -5.040 -0.223 1.00 0.00 O ATOM 736 CB ILE A 47 1.218 -2.072 0.759 1.00 0.00 C ATOM 737 CG1 ILE A 47 0.509 -1.143 -0.230 1.00 0.00 C ATOM 738 CG2 ILE A 47 1.583 -1.323 2.031 1.00 0.00 C ATOM 739 CD1 ILE A 47 -0.131 0.061 0.422 1.00 0.00 C ATOM 0 H ILE A 47 2.768 -0.791 -0.728 1.00 0.00 H new ATOM 0 HA ILE A 47 3.165 -2.967 0.917 1.00 0.00 H new ATOM 0 HB ILE A 47 0.534 -2.880 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.228 -0.803 -0.975 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.257 -1.708 -0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.683 -0.897 2.473 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.044 -2.012 2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.284 -0.523 1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.614 0.673 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.875 -0.270 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.634 0.649 0.929 1.00 0.00 H new ATOM 751 N GLU A 48 1.623 -3.687 -1.917 1.00 0.00 N ATOM 752 CA GLU A 48 1.232 -4.787 -2.789 1.00 0.00 C ATOM 753 C GLU A 48 2.388 -5.759 -2.947 1.00 0.00 C ATOM 754 O GLU A 48 2.205 -6.976 -2.927 1.00 0.00 O ATOM 755 CB GLU A 48 0.801 -4.264 -4.159 1.00 0.00 C ATOM 756 CG GLU A 48 0.426 -2.793 -4.158 1.00 0.00 C ATOM 757 CD GLU A 48 -0.226 -2.356 -5.456 1.00 0.00 C ATOM 758 OE1 GLU A 48 -0.007 -3.029 -6.486 1.00 0.00 O ATOM 759 OE2 GLU A 48 -0.954 -1.343 -5.443 1.00 0.00 O ATOM 0 H GLU A 48 1.508 -2.759 -2.326 1.00 0.00 H new ATOM 0 HA GLU A 48 0.387 -5.304 -2.335 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.611 -4.423 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.051 -4.847 -4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.255 -2.596 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.320 -2.194 -3.985 1.00 0.00 H new ATOM 766 N GLN A 49 3.583 -5.205 -3.087 1.00 0.00 N ATOM 767 CA GLN A 49 4.784 -6.012 -3.231 1.00 0.00 C ATOM 768 C GLN A 49 4.885 -7.002 -2.081 1.00 0.00 C ATOM 769 O GLN A 49 5.188 -8.178 -2.284 1.00 0.00 O ATOM 770 CB GLN A 49 6.027 -5.119 -3.268 1.00 0.00 C ATOM 771 CG GLN A 49 6.858 -5.286 -4.529 1.00 0.00 C ATOM 772 CD GLN A 49 7.166 -3.963 -5.203 1.00 0.00 C ATOM 773 OE1 GLN A 49 8.129 -3.283 -4.852 1.00 0.00 O ATOM 774 NE2 GLN A 49 6.345 -3.591 -6.179 1.00 0.00 N ATOM 0 H GLN A 49 3.746 -4.198 -3.104 1.00 0.00 H new ATOM 0 HA GLN A 49 4.725 -6.563 -4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.718 -4.077 -3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.649 -5.340 -2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.792 -5.789 -4.280 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.325 -5.931 -5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.558 -4.186 -6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.502 -2.710 -6.669 1.00 0.00 H new ATOM 783 N GLU A 50 4.620 -6.520 -0.871 1.00 0.00 N ATOM 784 CA GLU A 50 4.671 -7.363 0.308 1.00 0.00 C ATOM 785 C GLU A 50 3.273 -7.609 0.872 1.00 0.00 C ATOM 786 O GLU A 50 3.089 -7.704 2.086 1.00 0.00 O ATOM 787 CB GLU A 50 5.564 -6.730 1.378 1.00 0.00 C ATOM 788 CG GLU A 50 4.810 -5.839 2.350 1.00 0.00 C ATOM 789 CD GLU A 50 5.285 -4.400 2.309 1.00 0.00 C ATOM 790 OE1 GLU A 50 6.298 -4.127 1.631 1.00 0.00 O ATOM 791 OE2 GLU A 50 4.642 -3.544 2.954 1.00 0.00 O ATOM 0 H GLU A 50 4.368 -5.549 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 50 5.094 -8.324 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.064 -7.521 1.937 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.342 -6.144 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.746 -5.873 2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.929 -6.228 3.361 1.00 0.00 H new ATOM 798 N PHE A 51 2.290 -7.714 -0.020 1.00 0.00 N ATOM 799 CA PHE A 51 0.913 -7.949 0.380 1.00 0.00 C ATOM 800 C PHE A 51 0.234 -8.984 -0.517 1.00 0.00 C ATOM 801 O PHE A 51 -0.896 -9.393 -0.256 1.00 0.00 O ATOM 802 CB PHE A 51 0.115 -6.643 0.358 1.00 0.00 C ATOM 803 CG PHE A 51 0.053 -5.952 1.689 1.00 0.00 C ATOM 804 CD1 PHE A 51 1.190 -5.388 2.246 1.00 0.00 C ATOM 805 CD2 PHE A 51 -1.142 -5.867 2.385 1.00 0.00 C ATOM 806 CE1 PHE A 51 1.134 -4.750 3.471 1.00 0.00 C ATOM 807 CE2 PHE A 51 -1.203 -5.232 3.611 1.00 0.00 C ATOM 808 CZ PHE A 51 -0.064 -4.673 4.154 1.00 0.00 C ATOM 0 H PHE A 51 2.427 -7.639 -1.028 1.00 0.00 H new ATOM 0 HA PHE A 51 0.934 -8.341 1.397 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.561 -5.967 -0.372 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.900 -6.853 0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.130 -5.448 1.717 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.037 -6.302 1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.026 -4.312 3.894 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.141 -5.173 4.143 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.109 -4.176 5.112 1.00 0.00 H new ATOM 818 N ILE A 52 0.926 -9.405 -1.574 1.00 0.00 N ATOM 819 CA ILE A 52 0.384 -10.389 -2.500 1.00 0.00 C ATOM 820 C ILE A 52 -0.906 -9.892 -3.145 1.00 0.00 C ATOM 821 O ILE A 52 -1.808 -10.678 -3.440 1.00 0.00 O ATOM 822 CB ILE A 52 0.109 -11.727 -1.793 1.00 0.00 C ATOM 823 CG1 ILE A 52 -1.264 -11.694 -1.124 1.00 0.00 C ATOM 824 CG2 ILE A 52 1.197 -12.021 -0.773 1.00 0.00 C ATOM 825 CD1 ILE A 52 -1.212 -11.902 0.374 1.00 0.00 C ATOM 0 H ILE A 52 1.863 -9.078 -1.808 1.00 0.00 H new ATOM 0 HA ILE A 52 1.135 -10.541 -3.275 1.00 0.00 H new ATOM 0 HB ILE A 52 0.114 -12.525 -2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.738 -10.735 -1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.894 -12.465 -1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.988 -12.971 -0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.162 -12.078 -1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.222 -11.225 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.222 -11.866 0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.767 -12.873 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.609 -11.117 0.830 1.00 0.00 H new ATOM 837 N LEU A 53 -0.987 -8.584 -3.367 1.00 0.00 N ATOM 838 CA LEU A 53 -2.164 -7.983 -3.982 1.00 0.00 C ATOM 839 C LEU A 53 -1.922 -6.510 -4.295 1.00 0.00 C ATOM 840 O LEU A 53 -1.388 -5.769 -3.468 1.00 0.00 O ATOM 841 CB LEU A 53 -3.378 -8.129 -3.061 1.00 0.00 C ATOM 842 CG LEU A 53 -4.722 -7.777 -3.702 1.00 0.00 C ATOM 843 CD1 LEU A 53 -4.706 -8.101 -5.187 1.00 0.00 C ATOM 844 CD2 LEU A 53 -5.853 -8.516 -3.005 1.00 0.00 C ATOM 0 H LEU A 53 -0.250 -7.920 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.362 -8.507 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.422 -9.157 -2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.231 -7.493 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.889 -6.706 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.670 -7.844 -5.626 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.920 -7.526 -5.676 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.517 -9.166 -5.325 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.802 -8.254 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.691 -9.591 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.878 -8.234 -1.952 1.00 0.00 H new ATOM 856 N ASP A 54 -2.315 -6.093 -5.495 1.00 0.00 N ATOM 857 CA ASP A 54 -2.140 -4.718 -5.922 1.00 0.00 C ATOM 858 C ASP A 54 -3.434 -3.924 -5.783 1.00 0.00 C ATOM 859 O ASP A 54 -4.528 -4.485 -5.846 1.00 0.00 O ATOM 860 CB ASP A 54 -1.651 -4.670 -7.371 1.00 0.00 C ATOM 861 CG ASP A 54 -0.346 -5.416 -7.566 1.00 0.00 C ATOM 862 OD1 ASP A 54 0.476 -5.431 -6.626 1.00 0.00 O ATOM 863 OD2 ASP A 54 -0.146 -5.986 -8.659 1.00 0.00 O ATOM 0 H ASP A 54 -2.759 -6.695 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.391 -4.262 -5.275 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.412 -5.099 -8.023 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.521 -3.631 -7.673 1.00 0.00 H new ATOM 868 N ILE A 55 -3.298 -2.617 -5.596 1.00 0.00 N ATOM 869 CA ILE A 55 -4.448 -1.741 -5.450 1.00 0.00 C ATOM 870 C ILE A 55 -4.241 -0.430 -6.204 1.00 0.00 C ATOM 871 O ILE A 55 -4.754 0.615 -5.806 1.00 0.00 O ATOM 872 CB ILE A 55 -4.732 -1.428 -3.968 1.00 0.00 C ATOM 873 CG1 ILE A 55 -4.146 -2.521 -3.073 1.00 0.00 C ATOM 874 CG2 ILE A 55 -6.228 -1.288 -3.734 1.00 0.00 C ATOM 875 CD1 ILE A 55 -4.205 -2.190 -1.598 1.00 0.00 C ATOM 0 H ILE A 55 -2.397 -2.141 -5.542 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.303 -2.269 -5.873 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.255 -0.482 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.685 -3.452 -3.250 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.108 -2.694 -3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.413 -1.067 -2.683 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.618 -0.477 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.727 -2.219 -4.002 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.772 -3.009 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.642 -1.276 -1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.243 -2.046 -1.299 1.00 0.00 H new ATOM 887 N PRO A 56 -3.480 -0.474 -7.309 1.00 0.00 N ATOM 888 CA PRO A 56 -3.199 0.710 -8.126 1.00 0.00 C ATOM 889 C PRO A 56 -4.382 1.107 -9.003 1.00 0.00 C ATOM 890 O PRO A 56 -5.523 0.730 -8.732 1.00 0.00 O ATOM 891 CB PRO A 56 -2.022 0.259 -8.989 1.00 0.00 C ATOM 892 CG PRO A 56 -2.211 -1.211 -9.137 1.00 0.00 C ATOM 893 CD PRO A 56 -2.832 -1.684 -7.848 1.00 0.00 C ATOM 0 HA PRO A 56 -2.993 1.591 -7.517 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.025 0.759 -9.957 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.069 0.491 -8.513 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.856 -1.438 -9.986 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.259 -1.710 -9.317 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.554 -2.482 -8.020 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.081 -2.076 -7.162 1.00 0.00 H new ATOM 901 N ASP A 57 -4.103 1.869 -10.056 1.00 0.00 N ATOM 902 CA ASP A 57 -5.141 2.316 -10.976 1.00 0.00 C ATOM 903 C ASP A 57 -6.326 2.905 -10.218 1.00 0.00 C ATOM 904 O ASP A 57 -6.234 3.188 -9.023 1.00 0.00 O ATOM 905 CB ASP A 57 -5.610 1.154 -11.853 1.00 0.00 C ATOM 906 CG ASP A 57 -4.624 0.830 -12.958 1.00 0.00 C ATOM 907 OD1 ASP A 57 -3.404 0.931 -12.714 1.00 0.00 O ATOM 908 OD2 ASP A 57 -5.073 0.477 -14.069 1.00 0.00 O ATOM 0 H ASP A 57 -3.164 2.190 -10.293 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.716 3.094 -11.611 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.759 0.271 -11.232 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.576 1.401 -12.293 1.00 0.00 H new ATOM 913 N HIS A 58 -7.439 3.088 -10.922 1.00 0.00 N ATOM 914 CA HIS A 58 -8.644 3.644 -10.318 1.00 0.00 C ATOM 915 C HIS A 58 -8.912 3.012 -8.956 1.00 0.00 C ATOM 916 O HIS A 58 -9.647 3.565 -8.138 1.00 0.00 O ATOM 917 CB HIS A 58 -9.847 3.428 -11.238 1.00 0.00 C ATOM 918 CG HIS A 58 -9.932 4.423 -12.353 1.00 0.00 C ATOM 919 ND1 HIS A 58 -11.124 4.962 -12.792 1.00 0.00 N ATOM 920 CD2 HIS A 58 -8.965 4.980 -13.120 1.00 0.00 C ATOM 921 CE1 HIS A 58 -10.885 5.806 -13.782 1.00 0.00 C ATOM 922 NE2 HIS A 58 -9.584 5.835 -13.999 1.00 0.00 N ATOM 0 H HIS A 58 -7.531 2.859 -11.912 1.00 0.00 H new ATOM 0 HA HIS A 58 -8.489 4.714 -10.178 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -9.796 2.424 -11.660 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.761 3.479 -10.646 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -7.904 4.788 -13.053 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -11.628 6.375 -14.321 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -9.114 6.401 -14.705 1.00 0.00 H new ATOM 931 N ASP A 59 -8.311 1.851 -8.718 1.00 0.00 N ATOM 932 CA ASP A 59 -8.487 1.146 -7.453 1.00 0.00 C ATOM 933 C ASP A 59 -7.996 1.996 -6.286 1.00 0.00 C ATOM 934 O ASP A 59 -8.664 2.100 -5.257 1.00 0.00 O ATOM 935 CB ASP A 59 -7.738 -0.187 -7.480 1.00 0.00 C ATOM 936 CG ASP A 59 -7.914 -0.924 -8.794 1.00 0.00 C ATOM 937 OD1 ASP A 59 -8.743 -0.480 -9.616 1.00 0.00 O ATOM 938 OD2 ASP A 59 -7.222 -1.943 -9.000 1.00 0.00 O ATOM 0 H ASP A 59 -7.699 1.379 -9.383 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.551 0.953 -7.317 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.677 -0.008 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.093 -0.816 -6.664 1.00 0.00 H new ATOM 943 N ALA A 60 -6.824 2.601 -6.452 1.00 0.00 N ATOM 944 CA ALA A 60 -6.244 3.439 -5.414 1.00 0.00 C ATOM 945 C ALA A 60 -6.762 4.869 -5.508 1.00 0.00 C ATOM 946 O ALA A 60 -6.752 5.612 -4.527 1.00 0.00 O ATOM 947 CB ALA A 60 -4.726 3.418 -5.504 1.00 0.00 C ATOM 0 H ALA A 60 -6.258 2.525 -7.297 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.545 3.035 -4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.306 4.050 -4.721 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.368 2.396 -5.377 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.414 3.793 -6.479 1.00 0.00 H new ATOM 953 N GLU A 61 -7.214 5.248 -6.698 1.00 0.00 N ATOM 954 CA GLU A 61 -7.736 6.587 -6.928 1.00 0.00 C ATOM 955 C GLU A 61 -9.132 6.741 -6.332 1.00 0.00 C ATOM 956 O GLU A 61 -9.528 7.836 -5.930 1.00 0.00 O ATOM 957 CB GLU A 61 -7.774 6.892 -8.427 1.00 0.00 C ATOM 958 CG GLU A 61 -6.503 6.496 -9.160 1.00 0.00 C ATOM 959 CD GLU A 61 -5.763 7.690 -9.731 1.00 0.00 C ATOM 960 OE1 GLU A 61 -6.399 8.747 -9.921 1.00 0.00 O ATOM 961 OE2 GLU A 61 -4.546 7.567 -9.984 1.00 0.00 O ATOM 0 H GLU A 61 -7.229 4.644 -7.520 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.071 7.296 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.619 6.369 -8.874 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.948 7.959 -8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.846 5.959 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.753 5.808 -9.968 1.00 0.00 H new ATOM 968 N LYS A 62 -9.872 5.639 -6.278 1.00 0.00 N ATOM 969 CA LYS A 62 -11.223 5.651 -5.734 1.00 0.00 C ATOM 970 C LYS A 62 -11.199 5.793 -4.215 1.00 0.00 C ATOM 971 O LYS A 62 -12.233 5.691 -3.555 1.00 0.00 O ATOM 972 CB LYS A 62 -11.965 4.372 -6.125 1.00 0.00 C ATOM 973 CG LYS A 62 -12.439 4.362 -7.569 1.00 0.00 C ATOM 974 CD LYS A 62 -13.685 5.214 -7.753 1.00 0.00 C ATOM 975 CE LYS A 62 -13.577 6.102 -8.982 1.00 0.00 C ATOM 976 NZ LYS A 62 -13.405 7.536 -8.619 1.00 0.00 N ATOM 0 H LYS A 62 -9.558 4.725 -6.605 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.747 6.510 -6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.310 3.517 -5.960 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.825 4.245 -5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.644 4.733 -8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.649 3.338 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.558 4.568 -7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.838 5.832 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.733 5.778 -9.591 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.473 5.987 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.335 8.107 -9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.223 7.853 -8.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.537 7.650 -8.058 1.00 0.00 H new ATOM 990 N ILE A 63 -10.011 6.028 -3.666 1.00 0.00 N ATOM 991 CA ILE A 63 -9.851 6.183 -2.230 1.00 0.00 C ATOM 992 C ILE A 63 -9.592 7.639 -1.859 1.00 0.00 C ATOM 993 O ILE A 63 -8.631 8.248 -2.328 1.00 0.00 O ATOM 994 CB ILE A 63 -8.699 5.313 -1.693 1.00 0.00 C ATOM 995 CG1 ILE A 63 -9.126 4.597 -0.411 1.00 0.00 C ATOM 996 CG2 ILE A 63 -7.464 6.166 -1.444 1.00 0.00 C ATOM 997 CD1 ILE A 63 -8.895 3.102 -0.448 1.00 0.00 C ATOM 0 H ILE A 63 -9.145 6.115 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.784 5.855 -1.772 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.452 4.560 -2.441 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.579 5.020 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.184 4.789 -0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.658 5.538 -1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.151 6.634 -2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.697 6.939 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.221 2.660 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.464 2.666 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.834 2.901 -0.595 1.00 0.00 H new ATOM 1009 N GLN A 64 -10.456 8.191 -1.013 1.00 0.00 N ATOM 1010 CA GLN A 64 -10.324 9.567 -0.578 1.00 0.00 C ATOM 1011 C GLN A 64 -10.116 9.644 0.930 1.00 0.00 C ATOM 1012 O GLN A 64 -9.800 10.705 1.471 1.00 0.00 O ATOM 1013 CB GLN A 64 -11.560 10.375 -0.981 1.00 0.00 C ATOM 1014 CG GLN A 64 -11.616 10.703 -2.464 1.00 0.00 C ATOM 1015 CD GLN A 64 -10.756 9.774 -3.298 1.00 0.00 C ATOM 1016 OE1 GLN A 64 -9.680 10.152 -3.760 1.00 0.00 O ATOM 1017 NE2 GLN A 64 -11.230 8.549 -3.496 1.00 0.00 N ATOM 0 H GLN A 64 -11.257 7.699 -0.616 1.00 0.00 H new ATOM 0 HA GLN A 64 -9.448 9.993 -1.067 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.455 9.816 -0.707 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -11.578 11.304 -0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.649 10.642 -2.807 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.289 11.731 -2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.127 8.278 -3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.697 7.879 -4.050 1.00 0.00 H new ATOM 1026 N SER A 65 -10.295 8.513 1.604 1.00 0.00 N ATOM 1027 CA SER A 65 -10.127 8.448 3.051 1.00 0.00 C ATOM 1028 C SER A 65 -9.183 7.312 3.436 1.00 0.00 C ATOM 1029 O SER A 65 -9.155 6.269 2.782 1.00 0.00 O ATOM 1030 CB SER A 65 -11.483 8.261 3.733 1.00 0.00 C ATOM 1031 OG SER A 65 -11.939 6.925 3.603 1.00 0.00 O ATOM 0 H SER A 65 -10.557 7.628 1.170 1.00 0.00 H new ATOM 0 HA SER A 65 -9.689 9.388 3.387 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.401 8.520 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.212 8.942 3.293 1.00 0.00 H new ATOM 0 HG SER A 65 -12.807 6.831 4.049 1.00 0.00 H new ATOM 1037 N ILE A 66 -8.409 7.521 4.497 1.00 0.00 N ATOM 1038 CA ILE A 66 -7.463 6.513 4.961 1.00 0.00 C ATOM 1039 C ILE A 66 -8.182 5.262 5.457 1.00 0.00 C ATOM 1040 O ILE A 66 -7.649 4.154 5.377 1.00 0.00 O ATOM 1041 CB ILE A 66 -6.557 7.052 6.088 1.00 0.00 C ATOM 1042 CG1 ILE A 66 -7.119 8.354 6.661 1.00 0.00 C ATOM 1043 CG2 ILE A 66 -5.142 7.263 5.571 1.00 0.00 C ATOM 1044 CD1 ILE A 66 -6.232 8.980 7.716 1.00 0.00 C ATOM 0 H ILE A 66 -8.419 8.378 5.050 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.842 6.256 4.103 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.529 6.314 6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.264 9.067 5.849 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.101 8.158 7.092 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.513 7.643 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.740 6.315 5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.157 7.982 4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.691 9.900 8.079 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.108 8.285 8.546 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.257 9.207 7.284 1.00 0.00 H new ATOM 1056 N PRO A 67 -9.408 5.424 5.978 1.00 0.00 N ATOM 1057 CA PRO A 67 -10.204 4.304 6.491 1.00 0.00 C ATOM 1058 C PRO A 67 -10.387 3.199 5.456 1.00 0.00 C ATOM 1059 O PRO A 67 -9.809 2.121 5.579 1.00 0.00 O ATOM 1060 CB PRO A 67 -11.552 4.947 6.834 1.00 0.00 C ATOM 1061 CG PRO A 67 -11.245 6.388 7.043 1.00 0.00 C ATOM 1062 CD PRO A 67 -10.112 6.709 6.109 1.00 0.00 C ATOM 0 HA PRO A 67 -9.722 3.820 7.340 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -12.272 4.809 6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.986 4.501 7.729 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -12.116 7.008 6.828 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -10.964 6.581 8.078 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.474 7.069 5.146 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.462 7.484 6.516 1.00 0.00 H new ATOM 1070 N ASP A 68 -11.195 3.475 4.436 1.00 0.00 N ATOM 1071 CA ASP A 68 -11.453 2.500 3.381 1.00 0.00 C ATOM 1072 C ASP A 68 -10.149 1.997 2.770 1.00 0.00 C ATOM 1073 O ASP A 68 -10.116 0.947 2.129 1.00 0.00 O ATOM 1074 CB ASP A 68 -12.334 3.117 2.293 1.00 0.00 C ATOM 1075 CG ASP A 68 -13.620 2.342 2.082 1.00 0.00 C ATOM 1076 OD1 ASP A 68 -13.551 1.212 1.554 1.00 0.00 O ATOM 1077 OD2 ASP A 68 -14.695 2.864 2.443 1.00 0.00 O ATOM 0 H ASP A 68 -11.681 4.364 4.318 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.974 1.652 3.826 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -12.573 4.146 2.563 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.778 3.154 1.356 1.00 0.00 H new ATOM 1082 N ALA A 69 -9.078 2.755 2.971 1.00 0.00 N ATOM 1083 CA ALA A 69 -7.771 2.392 2.440 1.00 0.00 C ATOM 1084 C ALA A 69 -7.240 1.123 3.095 1.00 0.00 C ATOM 1085 O ALA A 69 -7.418 0.018 2.580 1.00 0.00 O ATOM 1086 CB ALA A 69 -6.788 3.536 2.633 1.00 0.00 C ATOM 0 H ALA A 69 -9.090 3.627 3.500 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.884 2.197 1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.815 3.251 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.152 4.420 2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.691 3.757 3.696 1.00 0.00 H new ATOM 1092 N VAL A 70 -6.584 1.295 4.232 1.00 0.00 N ATOM 1093 CA VAL A 70 -6.016 0.174 4.966 1.00 0.00 C ATOM 1094 C VAL A 70 -7.110 -0.747 5.493 1.00 0.00 C ATOM 1095 O VAL A 70 -6.851 -1.896 5.849 1.00 0.00 O ATOM 1096 CB VAL A 70 -5.153 0.655 6.147 1.00 0.00 C ATOM 1097 CG1 VAL A 70 -5.950 1.584 7.049 1.00 0.00 C ATOM 1098 CG2 VAL A 70 -4.613 -0.530 6.931 1.00 0.00 C ATOM 0 H VAL A 70 -6.431 2.204 4.668 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.386 -0.376 4.267 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.306 1.214 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.323 1.913 7.878 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.280 2.451 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.819 1.055 7.440 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.006 -0.170 7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.444 -1.120 7.318 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.001 -1.151 6.276 1.00 0.00 H new ATOM 1108 N GLU A 71 -8.335 -0.235 5.537 1.00 0.00 N ATOM 1109 CA GLU A 71 -9.469 -1.013 6.015 1.00 0.00 C ATOM 1110 C GLU A 71 -9.714 -2.216 5.111 1.00 0.00 C ATOM 1111 O GLU A 71 -9.851 -3.343 5.586 1.00 0.00 O ATOM 1112 CB GLU A 71 -10.726 -0.143 6.078 1.00 0.00 C ATOM 1113 CG GLU A 71 -10.776 0.766 7.295 1.00 0.00 C ATOM 1114 CD GLU A 71 -10.990 -0.001 8.586 1.00 0.00 C ATOM 1115 OE1 GLU A 71 -11.580 -1.102 8.532 1.00 0.00 O ATOM 1116 OE2 GLU A 71 -10.568 0.498 9.650 1.00 0.00 O ATOM 0 H GLU A 71 -8.567 0.715 5.247 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.237 -1.371 7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.781 0.467 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.605 -0.788 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.846 1.330 7.361 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.580 1.491 7.170 1.00 0.00 H new ATOM 1123 N TYR A 72 -9.763 -1.968 3.806 1.00 0.00 N ATOM 1124 CA TYR A 72 -9.985 -3.030 2.839 1.00 0.00 C ATOM 1125 C TYR A 72 -8.776 -3.951 2.775 1.00 0.00 C ATOM 1126 O TYR A 72 -8.911 -5.168 2.657 1.00 0.00 O ATOM 1127 CB TYR A 72 -10.281 -2.441 1.458 1.00 0.00 C ATOM 1128 CG TYR A 72 -9.323 -2.897 0.383 1.00 0.00 C ATOM 1129 CD1 TYR A 72 -7.998 -2.481 0.386 1.00 0.00 C ATOM 1130 CD2 TYR A 72 -9.743 -3.741 -0.637 1.00 0.00 C ATOM 1131 CE1 TYR A 72 -7.120 -2.893 -0.595 1.00 0.00 C ATOM 1132 CE2 TYR A 72 -8.870 -4.159 -1.623 1.00 0.00 C ATOM 1133 CZ TYR A 72 -7.560 -3.731 -1.598 1.00 0.00 C ATOM 1134 OH TYR A 72 -6.686 -4.145 -2.577 1.00 0.00 O ATOM 0 H TYR A 72 -9.652 -1.040 3.397 1.00 0.00 H new ATOM 0 HA TYR A 72 -10.848 -3.614 3.159 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -11.295 -2.713 1.167 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -10.249 -1.353 1.523 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.649 -1.824 1.169 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.769 -4.076 -0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.093 -2.561 -0.578 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.212 -4.817 -2.408 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.154 -4.732 -3.207 1.00 0.00 H new ATOM 1144 N ILE A 73 -7.595 -3.356 2.862 1.00 0.00 N ATOM 1145 CA ILE A 73 -6.349 -4.112 2.822 1.00 0.00 C ATOM 1146 C ILE A 73 -6.285 -5.117 3.963 1.00 0.00 C ATOM 1147 O ILE A 73 -5.867 -6.261 3.783 1.00 0.00 O ATOM 1148 CB ILE A 73 -5.126 -3.188 2.904 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -4.872 -2.517 1.555 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -3.900 -3.967 3.356 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -4.218 -1.157 1.672 1.00 0.00 C ATOM 0 H ILE A 73 -7.472 -2.348 2.961 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.331 -4.640 1.869 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.328 -2.410 3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.239 -3.165 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.819 -2.412 1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.042 -3.297 3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.085 -4.398 4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.693 -4.766 2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -4.067 -0.739 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.860 -0.493 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.255 -1.258 2.173 1.00 0.00 H new ATOM 1163 N ALA A 74 -6.701 -4.678 5.138 1.00 0.00 N ATOM 1164 CA ALA A 74 -6.695 -5.531 6.318 1.00 0.00 C ATOM 1165 C ALA A 74 -7.644 -6.707 6.145 1.00 0.00 C ATOM 1166 O ALA A 74 -7.287 -7.856 6.405 1.00 0.00 O ATOM 1167 CB ALA A 74 -7.064 -4.726 7.555 1.00 0.00 C ATOM 0 H ALA A 74 -7.049 -3.733 5.303 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.687 -5.927 6.447 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.055 -5.377 8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.342 -3.922 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.060 -4.301 7.429 1.00 0.00 H new ATOM 1173 N GLN A 75 -8.851 -6.409 5.700 1.00 0.00 N ATOM 1174 CA GLN A 75 -9.861 -7.433 5.494 1.00 0.00 C ATOM 1175 C GLN A 75 -9.616 -8.180 4.195 1.00 0.00 C ATOM 1176 O GLN A 75 -8.975 -9.230 4.185 1.00 0.00 O ATOM 1177 CB GLN A 75 -11.257 -6.806 5.481 1.00 0.00 C ATOM 1178 CG GLN A 75 -11.250 -5.300 5.687 1.00 0.00 C ATOM 1179 CD GLN A 75 -12.587 -4.772 6.171 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -13.599 -5.469 6.114 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -12.595 -3.534 6.650 1.00 0.00 N ATOM 0 H GLN A 75 -9.157 -5.463 5.473 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.797 -8.143 6.318 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.739 -7.032 4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -11.861 -7.268 6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.477 -5.039 6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.988 -4.810 4.749 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.731 -2.992 6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -13.465 -3.124 6.990 1.00 0.00 H new ATOM 1190 N ASN A 76 -10.122 -7.636 3.103 1.00 0.00 N ATOM 1191 CA ASN A 76 -9.947 -8.261 1.801 1.00 0.00 C ATOM 1192 C ASN A 76 -8.712 -9.158 1.807 1.00 0.00 C ATOM 1193 O ASN A 76 -8.825 -10.384 1.780 1.00 0.00 O ATOM 1194 CB ASN A 76 -9.829 -7.197 0.708 1.00 0.00 C ATOM 1195 CG ASN A 76 -11.151 -6.923 0.022 1.00 0.00 C ATOM 1196 OD1 ASN A 76 -11.711 -7.792 -0.647 1.00 0.00 O ATOM 1197 ND2 ASN A 76 -11.660 -5.706 0.185 1.00 0.00 N ATOM 0 H ASN A 76 -10.655 -6.767 3.089 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.822 -8.875 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.451 -6.272 1.144 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.099 -7.521 -0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.548 -5.462 -0.253 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.162 -5.016 0.748 1.00 0.00 H new ATOM 1204 N PRO A 77 -7.509 -8.559 1.845 1.00 0.00 N ATOM 1205 CA PRO A 77 -6.251 -9.314 1.855 1.00 0.00 C ATOM 1206 C PRO A 77 -6.189 -10.339 2.988 1.00 0.00 C ATOM 1207 O PRO A 77 -5.631 -11.422 2.817 1.00 0.00 O ATOM 1208 CB PRO A 77 -5.188 -8.231 2.053 1.00 0.00 C ATOM 1209 CG PRO A 77 -5.819 -6.988 1.531 1.00 0.00 C ATOM 1210 CD PRO A 77 -7.278 -7.103 1.873 1.00 0.00 C ATOM 0 HA PRO A 77 -6.122 -9.897 0.943 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.918 -8.128 3.104 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.273 -8.469 1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.378 -6.102 1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.674 -6.897 0.454 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.498 -6.678 2.852 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.905 -6.581 1.150 1.00 0.00 H new ATOM 1218 N MET A 78 -6.763 -10.001 4.144 1.00 0.00 N ATOM 1219 CA MET A 78 -6.758 -10.914 5.281 1.00 0.00 C ATOM 1220 C MET A 78 -7.649 -12.122 5.012 1.00 0.00 C ATOM 1221 O MET A 78 -7.523 -13.158 5.664 1.00 0.00 O ATOM 1222 CB MET A 78 -7.227 -10.196 6.546 1.00 0.00 C ATOM 1223 CG MET A 78 -7.575 -11.139 7.687 1.00 0.00 C ATOM 1224 SD MET A 78 -8.568 -10.345 8.965 1.00 0.00 S ATOM 1225 CE MET A 78 -8.473 -11.564 10.274 1.00 0.00 C ATOM 0 H MET A 78 -7.232 -9.111 4.314 1.00 0.00 H new ATOM 0 HA MET A 78 -5.735 -11.261 5.428 1.00 0.00 H new ATOM 0 HB2 MET A 78 -6.445 -9.512 6.877 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.101 -9.590 6.307 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.118 -11.997 7.291 1.00 0.00 H new ATOM 0 HG3 MET A 78 -6.656 -11.521 8.131 1.00 0.00 H new ATOM 0 HE1 MET A 78 -8.470 -11.060 11.241 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.334 -12.230 10.215 1.00 0.00 H new ATOM 0 HE3 MET A 78 -7.557 -12.145 10.164 1.00 0.00 H new ATOM 1235 N ALA A 79 -8.552 -11.981 4.046 1.00 0.00 N ATOM 1236 CA ALA A 79 -9.464 -13.052 3.690 1.00 0.00 C ATOM 1237 C ALA A 79 -8.831 -14.002 2.682 1.00 0.00 C ATOM 1238 O ALA A 79 -9.158 -15.187 2.637 1.00 0.00 O ATOM 1239 CB ALA A 79 -10.763 -12.481 3.140 1.00 0.00 C ATOM 0 H ALA A 79 -8.668 -11.130 3.496 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.685 -13.620 4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -11.437 -13.297 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.233 -11.852 3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.551 -11.885 2.252 1.00 0.00 H new ATOM 1245 N LYS A 80 -7.922 -13.470 1.876 1.00 0.00 N ATOM 1246 CA LYS A 80 -7.236 -14.265 0.864 1.00 0.00 C ATOM 1247 C LYS A 80 -7.016 -15.694 1.350 1.00 0.00 C ATOM 1248 O LYS A 80 -6.276 -15.873 2.341 1.00 0.00 O ATOM 1249 CB LYS A 80 -5.895 -13.624 0.503 1.00 0.00 C ATOM 1250 CG LYS A 80 -6.018 -12.189 0.019 1.00 0.00 C ATOM 1251 CD LYS A 80 -4.746 -11.724 -0.672 1.00 0.00 C ATOM 1252 CE LYS A 80 -4.836 -10.262 -1.079 1.00 0.00 C ATOM 1253 NZ LYS A 80 -3.797 -9.434 -0.407 1.00 0.00 N ATOM 1254 OXT LYS A 80 -7.586 -16.622 0.739 1.00 0.00 O ATOM 0 H LYS A 80 -7.642 -12.490 1.903 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.866 -14.296 -0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.243 -13.650 1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -5.414 -14.220 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.859 -12.107 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.234 -11.536 0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.896 -11.865 -0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.565 -12.338 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.724 -10.178 -2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.825 -9.876 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.167 -8.475 -0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.546 -9.865 0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.951 -9.382 -1.010 1.00 0.00 H new TER 1268 LYS A 80 HETATM 1269 P24 PNS A 101 2.549 13.642 -10.081 1.00 0.00 P HETATM 1270 O25 PNS A 101 3.239 12.390 -10.822 1.00 0.00 O HETATM 1271 O26 PNS A 101 1.105 13.923 -10.735 1.00 0.00 O HETATM 1272 O27 PNS A 101 3.478 14.945 -10.252 1.00 0.00 O HETATM 1273 C28 PNS A 101 4.131 15.232 -9.013 1.00 0.00 C HETATM 1274 C29 PNS A 101 5.487 14.558 -8.980 1.00 0.00 C HETATM 1275 C30 PNS A 101 6.308 15.134 -7.856 1.00 0.00 C HETATM 1276 C31 PNS A 101 5.308 13.077 -8.763 1.00 0.00 C HETATM 1277 C32 PNS A 101 6.204 14.793 -10.303 1.00 0.00 C HETATM 1278 O33 PNS A 101 6.623 16.138 -10.511 1.00 0.00 O HETATM 1279 C34 PNS A 101 6.966 13.668 -10.944 1.00 0.00 C HETATM 1280 O35 PNS A 101 6.423 12.919 -11.757 1.00 0.00 O HETATM 1281 N36 PNS A 101 8.256 13.981 -11.000 1.00 0.00 N HETATM 1282 C37 PNS A 101 9.021 14.044 -12.241 1.00 0.00 C HETATM 1283 C38 PNS A 101 10.049 15.164 -12.222 1.00 0.00 C HETATM 1284 C39 PNS A 101 9.626 16.358 -13.054 1.00 0.00 C HETATM 1285 O40 PNS A 101 10.350 16.792 -13.950 1.00 0.00 O HETATM 1286 N41 PNS A 101 8.816 17.132 -12.339 1.00 0.00 N HETATM 1287 C42 PNS A 101 9.287 18.163 -11.419 1.00 0.00 C HETATM 1288 C43 PNS A 101 10.330 17.630 -10.450 1.00 0.00 C HETATM 1289 S44 PNS A 101 11.855 17.188 -11.314 1.00 0.00 S HETATM 0 H432 PNS A 101 10.544 18.382 -9.691 1.00 0.00 H new HETATM 0 H431 PNS A 101 9.936 16.756 -9.931 1.00 0.00 H new HETATM 0 H422 PNS A 101 8.442 18.562 -10.858 1.00 0.00 H new HETATM 0 H421 PNS A 101 9.711 18.990 -11.988 1.00 0.00 H new HETATM 0 H382 PNS A 101 11.001 14.785 -12.595 1.00 0.00 H new HETATM 0 H381 PNS A 101 10.214 15.483 -11.193 1.00 0.00 H new HETATM 0 H372 PNS A 101 8.340 14.192 -13.079 1.00 0.00 H new HETATM 0 H371 PNS A 101 9.526 13.092 -12.404 1.00 0.00 H new HETATM 0 H313 PNS A 101 6.284 12.592 -8.739 1.00 0.00 H new HETATM 0 H312 PNS A 101 4.715 12.659 -9.577 1.00 0.00 H new HETATM 0 H311 PNS A 101 4.795 12.907 -7.816 1.00 0.00 H new HETATM 0 H303 PNS A 101 7.284 14.649 -7.832 1.00 0.00 H new HETATM 0 H302 PNS A 101 5.796 14.966 -6.908 1.00 0.00 H new HETATM 0 H301 PNS A 101 6.439 16.205 -8.013 1.00 0.00 H new HETATM 0 H282 PNS A 101 3.521 14.883 -8.180 1.00 0.00 H new HETATM 0 H281 PNS A 101 4.247 16.309 -8.893 1.00 0.00 H new HETATM 0 H44 PNS A 101 12.724 16.739 -10.458 1.00 0.00 H new HETATM 0 H41 PNS A 101 7.810 16.998 -12.439 1.00 0.00 H new HETATM 0 H36 PNS A 101 8.739 14.189 -10.126 1.00 0.00 H new HETATM 0 H33 PNS A 101 5.837 16.719 -10.576 1.00 0.00 H new HETATM 0 H32 PNS A 101 5.395 14.692 -11.027 1.00 0.00 H new