USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1000 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 112 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= -0.0246 (180deg=-0.768) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 12:sc= 0.722! USER MOD Single : A 17 MET CE :methyl 143:sc= -0.646 (180deg=-2.92!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.101 K(o=0.1,f=-2.1) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.0315 F(o=-2.9!,f=-0.032) USER MOD Single : A 44 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.11) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= 0.0479 (180deg=0.00839) USER MOD Single : A 47 GLN : amide:sc= -3.32! C(o=-3.3!,f=-3.3!) USER MOD Single : A 51 TYR OH : rot 15:sc= -1.27 USER MOD Single : A 56 SER OG : rot 180:sc= -0.371 USER MOD Single : A 59 ASN : amide:sc= -3.3! C(o=-3.3!,f=-4.7!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.605 X(o=-0.6,f=-0.21) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -93:sc= 0.554 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -48:sc= -0.245 USER MOD Single : A 85 MET CE :methyl -164:sc= -0.351 (180deg=-0.979) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -4.63! C(o=-4.6!,f=-4.3!) USER MOD Single : A 100 GLN : amide:sc= -0.35 K(o=-0.35,f=-3.4!) USER MOD Single : A 104 SER OG : rot 169:sc= -7.48! USER MOD Single : A 106 TYR OH : rot 180:sc= -0.781 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 152:sc= -0.242 (180deg=-1.11!) USER MOD Single : A 121 ASN : amide:sc= -0.0672 X(o=-0.067,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -174:sc= -0.733 (180deg=-1.18!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -14.162 -0.500 8.845 1.00 0.00 N ATOM 2 CA ALA A 2 -13.006 0.406 9.096 1.00 0.00 C ATOM 3 C ALA A 2 -13.392 1.843 8.737 1.00 0.00 C ATOM 4 O ALA A 2 -14.431 2.090 8.157 1.00 0.00 O ATOM 5 CB ALA A 2 -11.818 -0.032 8.237 1.00 0.00 C ATOM 0 HA ALA A 2 -12.731 0.357 10.150 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.972 0.631 8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.540 -1.054 8.494 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.094 0.015 7.184 1.00 0.00 H new ATOM 11 N ASP A 3 -12.561 2.791 9.075 1.00 0.00 N ATOM 12 CA ASP A 3 -12.875 4.212 8.753 1.00 0.00 C ATOM 13 C ASP A 3 -13.344 4.315 7.299 1.00 0.00 C ATOM 14 O ASP A 3 -12.903 3.579 6.445 1.00 0.00 O ATOM 15 CB ASP A 3 -11.615 5.061 8.944 1.00 0.00 C ATOM 16 CG ASP A 3 -11.750 5.897 10.218 1.00 0.00 C ATOM 17 OD1 ASP A 3 -11.841 5.307 11.281 1.00 0.00 O ATOM 18 OD2 ASP A 3 -11.762 7.112 10.108 1.00 0.00 O ATOM 0 H ASP A 3 -11.677 2.642 9.561 1.00 0.00 H new ATOM 0 HA ASP A 3 -13.664 4.572 9.413 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.737 4.418 9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.469 5.713 8.083 1.00 0.00 H new ATOM 23 N LYS A 4 -14.244 5.213 7.012 1.00 0.00 N ATOM 24 CA LYS A 4 -14.729 5.358 5.609 1.00 0.00 C ATOM 25 C LYS A 4 -13.864 6.375 4.860 1.00 0.00 C ATOM 26 O LYS A 4 -14.245 6.864 3.815 1.00 0.00 O ATOM 27 CB LYS A 4 -16.177 5.839 5.605 1.00 0.00 C ATOM 28 CG LYS A 4 -17.066 4.799 6.289 1.00 0.00 C ATOM 29 CD LYS A 4 -17.612 3.827 5.240 1.00 0.00 C ATOM 30 CE LYS A 4 -17.936 2.487 5.899 1.00 0.00 C ATOM 31 NZ LYS A 4 -18.587 2.726 7.218 1.00 0.00 N ATOM 0 H LYS A 4 -14.665 5.852 7.686 1.00 0.00 H new ATOM 0 HA LYS A 4 -14.664 4.388 5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.254 6.795 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.513 6.003 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.495 4.256 7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.889 5.292 6.807 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -18.508 4.242 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.879 3.685 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.596 1.904 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.024 1.905 6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.173 1.904 7.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.857 2.867 7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.187 3.574 7.161 1.00 0.00 H new ATOM 45 N GLU A 5 -12.720 6.726 5.384 1.00 0.00 N ATOM 46 CA GLU A 5 -11.878 7.737 4.678 1.00 0.00 C ATOM 47 C GLU A 5 -10.405 7.593 5.071 1.00 0.00 C ATOM 48 O GLU A 5 -9.732 8.569 5.333 1.00 0.00 O ATOM 49 CB GLU A 5 -12.358 9.140 5.052 1.00 0.00 C ATOM 50 CG GLU A 5 -12.195 9.349 6.559 1.00 0.00 C ATOM 51 CD GLU A 5 -13.227 10.366 7.048 1.00 0.00 C ATOM 52 OE1 GLU A 5 -14.387 10.218 6.700 1.00 0.00 O ATOM 53 OE2 GLU A 5 -12.841 11.277 7.762 1.00 0.00 O ATOM 0 H GLU A 5 -12.336 6.364 6.257 1.00 0.00 H new ATOM 0 HA GLU A 5 -11.971 7.576 3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -11.785 9.890 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.402 9.267 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -12.324 8.403 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.188 9.702 6.781 1.00 0.00 H new ATOM 60 N LEU A 6 -9.886 6.396 5.101 1.00 0.00 N ATOM 61 CA LEU A 6 -8.462 6.227 5.456 1.00 0.00 C ATOM 62 C LEU A 6 -7.623 6.737 4.282 1.00 0.00 C ATOM 63 O LEU A 6 -7.640 6.176 3.214 1.00 0.00 O ATOM 64 CB LEU A 6 -8.203 4.744 5.724 1.00 0.00 C ATOM 65 CG LEU A 6 -6.742 4.503 6.112 1.00 0.00 C ATOM 66 CD1 LEU A 6 -6.373 5.355 7.321 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.556 3.041 6.489 1.00 0.00 C ATOM 0 H LEU A 6 -10.391 5.534 4.895 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.197 6.789 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.857 4.396 6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.448 4.162 4.835 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.108 4.766 5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.332 5.176 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.509 6.409 7.079 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.014 5.090 8.162 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.516 2.866 6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.202 2.798 7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.816 2.410 5.639 1.00 0.00 H new ATOM 79 N LYS A 7 -6.921 7.820 4.461 1.00 0.00 N ATOM 80 CA LYS A 7 -6.121 8.389 3.335 1.00 0.00 C ATOM 81 C LYS A 7 -5.295 7.300 2.655 1.00 0.00 C ATOM 82 O LYS A 7 -4.439 6.679 3.268 1.00 0.00 O ATOM 83 CB LYS A 7 -5.192 9.483 3.860 1.00 0.00 C ATOM 84 CG LYS A 7 -5.828 10.853 3.614 1.00 0.00 C ATOM 85 CD LYS A 7 -5.179 11.892 4.532 1.00 0.00 C ATOM 86 CE LYS A 7 -5.115 13.240 3.814 1.00 0.00 C ATOM 87 NZ LYS A 7 -4.626 14.284 4.759 1.00 0.00 N ATOM 0 H LYS A 7 -6.865 8.338 5.338 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.809 8.813 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.010 9.340 4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.225 9.424 3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.699 11.143 2.571 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.901 10.806 3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.752 11.986 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.176 11.569 4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.450 13.174 2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.101 13.510 3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.582 15.201 4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.277 14.353 5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.677 14.027 5.099 1.00 0.00 H new ATOM 101 N PHE A 8 -5.544 7.073 1.384 1.00 0.00 N ATOM 102 CA PHE A 8 -4.784 6.034 0.643 1.00 0.00 C ATOM 103 C PHE A 8 -3.844 6.680 -0.368 1.00 0.00 C ATOM 104 O PHE A 8 -4.071 7.772 -0.843 1.00 0.00 O ATOM 105 CB PHE A 8 -5.749 5.130 -0.137 1.00 0.00 C ATOM 106 CG PHE A 8 -6.346 4.080 0.767 1.00 0.00 C ATOM 107 CD1 PHE A 8 -5.672 2.874 0.995 1.00 0.00 C ATOM 108 CD2 PHE A 8 -7.577 4.314 1.381 1.00 0.00 C ATOM 109 CE1 PHE A 8 -6.238 1.907 1.837 1.00 0.00 C ATOM 110 CE2 PHE A 8 -8.133 3.348 2.226 1.00 0.00 C ATOM 111 CZ PHE A 8 -7.464 2.144 2.452 1.00 0.00 C ATOM 0 H PHE A 8 -6.245 7.569 0.834 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.217 5.455 1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.544 5.732 -0.577 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.220 4.650 -0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.718 2.689 0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.101 5.242 1.204 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.721 0.975 2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.083 3.534 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.897 1.398 3.102 1.00 0.00 H new ATOM 121 N LEU A 9 -2.802 5.984 -0.720 1.00 0.00 N ATOM 122 CA LEU A 9 -1.849 6.512 -1.741 1.00 0.00 C ATOM 123 C LEU A 9 -1.508 5.380 -2.708 1.00 0.00 C ATOM 124 O LEU A 9 -0.724 4.508 -2.398 1.00 0.00 O ATOM 125 CB LEU A 9 -0.567 6.989 -1.074 1.00 0.00 C ATOM 126 CG LEU A 9 0.322 7.700 -2.103 1.00 0.00 C ATOM 127 CD1 LEU A 9 -0.064 9.171 -2.183 1.00 0.00 C ATOM 128 CD2 LEU A 9 1.787 7.585 -1.683 1.00 0.00 C ATOM 0 H LEU A 9 -2.565 5.066 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.308 7.350 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.804 7.667 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.034 6.142 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 9 0.185 7.233 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.569 9.674 -2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.108 9.257 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.070 9.636 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.416 8.091 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.923 8.049 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.068 6.533 -1.628 1.00 0.00 H new ATOM 140 N VAL A 10 -2.086 5.382 -3.875 1.00 0.00 N ATOM 141 CA VAL A 10 -1.786 4.300 -4.841 1.00 0.00 C ATOM 142 C VAL A 10 -0.590 4.711 -5.714 1.00 0.00 C ATOM 143 O VAL A 10 -0.699 5.530 -6.611 1.00 0.00 O ATOM 144 CB VAL A 10 -3.029 4.037 -5.690 1.00 0.00 C ATOM 145 CG1 VAL A 10 -4.107 3.401 -4.809 1.00 0.00 C ATOM 146 CG2 VAL A 10 -3.565 5.352 -6.255 1.00 0.00 C ATOM 0 H VAL A 10 -2.751 6.085 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.522 3.382 -4.317 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.768 3.371 -6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.999 3.209 -5.406 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.735 2.461 -4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -4.356 4.079 -3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.451 5.154 -6.859 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.826 6.021 -5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.800 5.820 -6.875 1.00 0.00 H new ATOM 156 N VAL A 11 0.560 4.153 -5.436 1.00 0.00 N ATOM 157 CA VAL A 11 1.778 4.492 -6.210 1.00 0.00 C ATOM 158 C VAL A 11 2.011 3.425 -7.282 1.00 0.00 C ATOM 159 O VAL A 11 2.350 2.298 -6.982 1.00 0.00 O ATOM 160 CB VAL A 11 2.981 4.535 -5.259 1.00 0.00 C ATOM 161 CG1 VAL A 11 4.237 4.976 -6.012 1.00 0.00 C ATOM 162 CG2 VAL A 11 2.698 5.515 -4.119 1.00 0.00 C ATOM 0 H VAL A 11 0.702 3.468 -4.694 1.00 0.00 H new ATOM 0 HA VAL A 11 1.654 5.464 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 11 3.145 3.537 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.083 5.002 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.445 4.271 -6.817 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.080 5.970 -6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.553 5.545 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.525 6.510 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.814 5.190 -3.570 1.00 0.00 H new ATOM 172 N ASP A 12 1.831 3.763 -8.530 1.00 0.00 N ATOM 173 CA ASP A 12 2.041 2.754 -9.607 1.00 0.00 C ATOM 174 C ASP A 12 2.022 3.442 -10.975 1.00 0.00 C ATOM 175 O ASP A 12 1.489 4.523 -11.130 1.00 0.00 O ATOM 176 CB ASP A 12 0.924 1.710 -9.554 1.00 0.00 C ATOM 177 CG ASP A 12 -0.269 2.278 -8.785 1.00 0.00 C ATOM 178 OD1 ASP A 12 -0.539 3.459 -8.936 1.00 0.00 O ATOM 179 OD2 ASP A 12 -0.894 1.524 -8.058 1.00 0.00 O ATOM 0 H ASP A 12 1.549 4.690 -8.849 1.00 0.00 H new ATOM 0 HA ASP A 12 3.006 2.269 -9.458 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.621 1.434 -10.564 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.283 0.802 -9.070 1.00 0.00 H new ATOM 184 N ASP A 13 2.592 2.812 -11.967 1.00 0.00 N ATOM 185 CA ASP A 13 2.605 3.413 -13.331 1.00 0.00 C ATOM 186 C ASP A 13 1.461 2.812 -14.150 1.00 0.00 C ATOM 187 O ASP A 13 0.319 3.203 -14.016 1.00 0.00 O ATOM 188 CB ASP A 13 3.938 3.101 -14.013 1.00 0.00 C ATOM 189 CG ASP A 13 3.850 3.456 -15.497 1.00 0.00 C ATOM 190 OD1 ASP A 13 3.009 4.269 -15.843 1.00 0.00 O ATOM 191 OD2 ASP A 13 4.626 2.909 -16.265 1.00 0.00 O ATOM 0 H ASP A 13 3.051 1.904 -11.891 1.00 0.00 H new ATOM 0 HA ASP A 13 2.481 4.494 -13.260 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.741 3.667 -13.540 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.180 2.045 -13.895 1.00 0.00 H new ATOM 196 N PHE A 14 1.758 1.858 -14.992 1.00 0.00 N ATOM 197 CA PHE A 14 0.688 1.223 -15.815 1.00 0.00 C ATOM 198 C PHE A 14 -0.223 2.305 -16.404 1.00 0.00 C ATOM 199 O PHE A 14 0.119 3.471 -16.428 1.00 0.00 O ATOM 200 CB PHE A 14 -0.137 0.279 -14.931 1.00 0.00 C ATOM 201 CG PHE A 14 -0.120 -1.116 -15.514 1.00 0.00 C ATOM 202 CD1 PHE A 14 -0.520 -1.329 -16.841 1.00 0.00 C ATOM 203 CD2 PHE A 14 0.293 -2.201 -14.728 1.00 0.00 C ATOM 204 CE1 PHE A 14 -0.506 -2.621 -17.379 1.00 0.00 C ATOM 205 CE2 PHE A 14 0.306 -3.493 -15.267 1.00 0.00 C ATOM 206 CZ PHE A 14 -0.094 -3.702 -16.593 1.00 0.00 C ATOM 0 H PHE A 14 2.697 1.491 -15.145 1.00 0.00 H new ATOM 0 HA PHE A 14 1.142 0.658 -16.629 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.270 0.265 -13.920 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.163 0.639 -14.857 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.839 -0.495 -17.449 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.601 -2.040 -13.706 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.813 -2.783 -18.402 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.624 -4.328 -14.661 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.084 -4.699 -17.009 1.00 0.00 H new ATOM 216 N SER A 15 -1.382 1.924 -16.872 1.00 0.00 N ATOM 217 CA SER A 15 -2.326 2.918 -17.455 1.00 0.00 C ATOM 218 C SER A 15 -3.749 2.565 -17.017 1.00 0.00 C ATOM 219 O SER A 15 -4.717 3.084 -17.534 1.00 0.00 O ATOM 220 CB SER A 15 -2.234 2.875 -18.981 1.00 0.00 C ATOM 221 OG SER A 15 -0.995 2.291 -19.361 1.00 0.00 O ATOM 0 H SER A 15 -1.716 0.960 -16.875 1.00 0.00 H new ATOM 0 HA SER A 15 -2.071 3.920 -17.109 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.062 2.297 -19.391 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.315 3.882 -19.390 1.00 0.00 H new ATOM 0 HG SER A 15 -0.934 2.261 -20.339 1.00 0.00 H new ATOM 227 N THR A 16 -3.876 1.681 -16.065 1.00 0.00 N ATOM 228 CA THR A 16 -5.228 1.283 -15.584 1.00 0.00 C ATOM 229 C THR A 16 -5.123 0.783 -14.142 1.00 0.00 C ATOM 230 O THR A 16 -6.113 0.501 -13.496 1.00 0.00 O ATOM 231 CB THR A 16 -5.775 0.164 -16.474 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.749 -0.580 -15.755 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.632 -0.762 -16.895 1.00 0.00 C ATOM 0 H THR A 16 -3.097 1.216 -15.598 1.00 0.00 H new ATOM 0 HA THR A 16 -5.900 2.140 -15.625 1.00 0.00 H new ATOM 0 HB THR A 16 -6.233 0.599 -17.362 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.985 -0.102 -14.933 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.023 -1.558 -17.529 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.886 -0.191 -17.448 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.171 -1.197 -16.008 1.00 0.00 H new ATOM 241 N MET A 17 -3.927 0.667 -13.633 1.00 0.00 N ATOM 242 CA MET A 17 -3.749 0.182 -12.235 1.00 0.00 C ATOM 243 C MET A 17 -4.302 1.217 -11.253 1.00 0.00 C ATOM 244 O MET A 17 -5.272 0.977 -10.563 1.00 0.00 O ATOM 245 CB MET A 17 -2.259 -0.033 -11.962 1.00 0.00 C ATOM 246 CG MET A 17 -2.071 -0.580 -10.546 1.00 0.00 C ATOM 247 SD MET A 17 -0.378 -1.193 -10.356 1.00 0.00 S ATOM 248 CE MET A 17 -0.521 -1.723 -8.632 1.00 0.00 C ATOM 0 H MET A 17 -3.062 0.888 -14.127 1.00 0.00 H new ATOM 0 HA MET A 17 -4.287 -0.757 -12.107 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.842 -0.729 -12.690 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.719 0.907 -12.074 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.271 0.202 -9.813 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.783 -1.383 -10.357 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.050 -2.640 -8.485 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.131 -0.943 -7.978 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.569 -1.906 -8.393 1.00 0.00 H new ATOM 258 N ARG A 18 -3.688 2.366 -11.184 1.00 0.00 N ATOM 259 CA ARG A 18 -4.170 3.421 -10.246 1.00 0.00 C ATOM 260 C ARG A 18 -5.690 3.550 -10.347 1.00 0.00 C ATOM 261 O ARG A 18 -6.366 3.802 -9.370 1.00 0.00 O ATOM 262 CB ARG A 18 -3.530 4.764 -10.605 1.00 0.00 C ATOM 263 CG ARG A 18 -2.227 4.536 -11.380 1.00 0.00 C ATOM 264 CD ARG A 18 -2.541 4.283 -12.859 1.00 0.00 C ATOM 265 NE ARG A 18 -2.367 5.544 -13.629 1.00 0.00 N ATOM 266 CZ ARG A 18 -3.384 6.064 -14.259 1.00 0.00 C ATOM 267 NH1 ARG A 18 -3.920 5.431 -15.267 1.00 0.00 N ATOM 268 NH2 ARG A 18 -3.868 7.216 -13.881 1.00 0.00 N ATOM 0 H ARG A 18 -2.871 2.621 -11.738 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.893 3.142 -9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.221 5.356 -11.206 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.328 5.333 -9.698 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.577 5.405 -11.280 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.689 3.685 -10.962 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.882 3.510 -13.254 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.562 3.917 -12.967 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.456 6.000 -13.664 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.544 4.530 -15.562 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.715 5.837 -15.760 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.451 7.710 -13.092 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.663 7.622 -14.374 1.00 0.00 H new ATOM 282 N ARG A 19 -6.234 3.387 -11.521 1.00 0.00 N ATOM 283 CA ARG A 19 -7.710 3.508 -11.676 1.00 0.00 C ATOM 284 C ARG A 19 -8.392 2.308 -11.014 1.00 0.00 C ATOM 285 O ARG A 19 -9.405 2.441 -10.356 1.00 0.00 O ATOM 286 CB ARG A 19 -8.070 3.545 -13.162 1.00 0.00 C ATOM 287 CG ARG A 19 -9.513 4.028 -13.325 1.00 0.00 C ATOM 288 CD ARG A 19 -10.227 3.161 -14.365 1.00 0.00 C ATOM 289 NE ARG A 19 -11.601 3.691 -14.597 1.00 0.00 N ATOM 290 CZ ARG A 19 -12.351 3.172 -15.530 1.00 0.00 C ATOM 291 NH1 ARG A 19 -11.864 2.971 -16.724 1.00 0.00 N ATOM 292 NH2 ARG A 19 -13.590 2.853 -15.270 1.00 0.00 N ATOM 0 H ARG A 19 -5.722 3.176 -12.377 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.049 4.428 -11.200 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.390 4.209 -13.695 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.955 2.553 -13.600 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.036 3.974 -12.370 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.525 5.072 -13.636 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.665 3.158 -15.299 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.278 2.128 -14.020 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.955 4.459 -14.027 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.896 3.220 -16.929 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.451 2.565 -17.453 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.972 3.010 -14.337 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.176 2.447 -16.000 1.00 0.00 H new ATOM 306 N ILE A 20 -7.843 1.137 -11.183 1.00 0.00 N ATOM 307 CA ILE A 20 -8.455 -0.074 -10.567 1.00 0.00 C ATOM 308 C ILE A 20 -8.601 0.142 -9.059 1.00 0.00 C ATOM 309 O ILE A 20 -9.665 -0.034 -8.498 1.00 0.00 O ATOM 310 CB ILE A 20 -7.552 -1.289 -10.840 1.00 0.00 C ATOM 311 CG1 ILE A 20 -8.045 -2.009 -12.097 1.00 0.00 C ATOM 312 CG2 ILE A 20 -7.583 -2.264 -9.655 1.00 0.00 C ATOM 313 CD1 ILE A 20 -6.981 -3.002 -12.567 1.00 0.00 C ATOM 0 H ILE A 20 -6.995 0.966 -11.723 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.440 -0.253 -10.998 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.529 -0.941 -10.981 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.978 -2.532 -11.887 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.255 -1.285 -12.885 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.938 -3.116 -9.868 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.229 -1.757 -8.757 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.604 -2.612 -9.497 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.332 -3.515 -13.462 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.059 -2.467 -12.793 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.793 -3.733 -11.781 1.00 0.00 H new ATOM 325 N VAL A 21 -7.539 0.504 -8.397 1.00 0.00 N ATOM 326 CA VAL A 21 -7.617 0.709 -6.924 1.00 0.00 C ATOM 327 C VAL A 21 -8.580 1.854 -6.598 1.00 0.00 C ATOM 328 O VAL A 21 -9.404 1.744 -5.713 1.00 0.00 O ATOM 329 CB VAL A 21 -6.230 1.033 -6.368 1.00 0.00 C ATOM 330 CG1 VAL A 21 -5.785 -0.097 -5.437 1.00 0.00 C ATOM 331 CG2 VAL A 21 -5.233 1.163 -7.520 1.00 0.00 C ATOM 0 H VAL A 21 -6.621 0.667 -8.811 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.986 -0.208 -6.464 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.269 1.972 -5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.796 0.129 -5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.495 -0.193 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.746 -1.033 -5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.245 1.394 -7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.191 0.224 -8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.551 1.963 -8.188 1.00 0.00 H new ATOM 341 N ARG A 22 -8.486 2.951 -7.301 1.00 0.00 N ATOM 342 CA ARG A 22 -9.403 4.097 -7.021 1.00 0.00 C ATOM 343 C ARG A 22 -10.835 3.583 -6.885 1.00 0.00 C ATOM 344 O ARG A 22 -11.510 3.832 -5.905 1.00 0.00 O ATOM 345 CB ARG A 22 -9.343 5.091 -8.183 1.00 0.00 C ATOM 346 CG ARG A 22 -8.578 6.349 -7.760 1.00 0.00 C ATOM 347 CD ARG A 22 -8.622 7.385 -8.887 1.00 0.00 C ATOM 348 NE ARG A 22 -8.593 6.694 -10.207 1.00 0.00 N ATOM 349 CZ ARG A 22 -9.500 6.966 -11.106 1.00 0.00 C ATOM 350 NH1 ARG A 22 -10.754 7.062 -10.759 1.00 0.00 N ATOM 351 NH2 ARG A 22 -9.152 7.142 -12.352 1.00 0.00 N ATOM 0 H ARG A 22 -7.816 3.104 -8.055 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.096 4.586 -6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.854 4.630 -9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.352 5.358 -8.496 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.017 6.765 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.544 6.096 -7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.525 7.990 -8.802 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.774 8.064 -8.803 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.865 6.009 -10.408 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.026 6.925 -9.786 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.463 7.275 -11.461 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.172 7.067 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.861 7.354 -13.054 1.00 0.00 H new ATOM 365 N ASN A 23 -11.298 2.865 -7.867 1.00 0.00 N ATOM 366 CA ASN A 23 -12.671 2.319 -7.830 1.00 0.00 C ATOM 367 C ASN A 23 -12.775 1.297 -6.711 1.00 0.00 C ATOM 368 O ASN A 23 -13.595 1.402 -5.821 1.00 0.00 O ATOM 369 CB ASN A 23 -12.904 1.613 -9.151 1.00 0.00 C ATOM 370 CG ASN A 23 -14.277 1.982 -9.712 1.00 0.00 C ATOM 371 OD1 ASN A 23 -15.192 1.183 -9.689 1.00 0.00 O ATOM 372 ND2 ASN A 23 -14.463 3.171 -10.219 1.00 0.00 N ATOM 0 H ASN A 23 -10.769 2.632 -8.707 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.400 3.112 -7.665 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.126 1.891 -9.862 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.838 0.534 -9.012 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.376 3.428 -10.595 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.696 3.843 -10.239 1.00 0.00 H new ATOM 379 N LEU A 24 -11.938 0.304 -6.775 1.00 0.00 N ATOM 380 CA LEU A 24 -11.933 -0.773 -5.745 1.00 0.00 C ATOM 381 C LEU A 24 -12.148 -0.162 -4.357 1.00 0.00 C ATOM 382 O LEU A 24 -13.095 -0.478 -3.667 1.00 0.00 O ATOM 383 CB LEU A 24 -10.566 -1.458 -5.794 1.00 0.00 C ATOM 384 CG LEU A 24 -10.600 -2.834 -5.095 1.00 0.00 C ATOM 385 CD1 LEU A 24 -10.275 -3.921 -6.120 1.00 0.00 C ATOM 386 CD2 LEU A 24 -9.565 -2.910 -3.957 1.00 0.00 C ATOM 0 H LEU A 24 -11.242 0.189 -7.512 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.731 -1.490 -5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.257 -1.583 -6.832 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.822 -0.823 -5.314 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.595 -2.978 -4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.297 -4.897 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.013 -3.898 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.283 -3.744 -6.535 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.614 -3.891 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.566 -2.752 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.781 -2.140 -3.216 1.00 0.00 H new ATOM 398 N LEU A 25 -11.272 0.714 -3.950 1.00 0.00 N ATOM 399 CA LEU A 25 -11.419 1.356 -2.614 1.00 0.00 C ATOM 400 C LEU A 25 -12.812 1.970 -2.496 1.00 0.00 C ATOM 401 O LEU A 25 -13.503 1.782 -1.516 1.00 0.00 O ATOM 402 CB LEU A 25 -10.362 2.451 -2.466 1.00 0.00 C ATOM 403 CG LEU A 25 -9.055 1.834 -1.964 1.00 0.00 C ATOM 404 CD1 LEU A 25 -7.875 2.676 -2.451 1.00 0.00 C ATOM 405 CD2 LEU A 25 -9.054 1.801 -0.433 1.00 0.00 C ATOM 0 H LEU A 25 -10.458 1.014 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.286 0.611 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.199 2.946 -3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.708 3.214 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.966 0.818 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.943 2.237 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.871 2.700 -3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.969 3.691 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.122 1.361 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.145 2.816 -0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.894 1.202 -0.081 1.00 0.00 H new ATOM 417 N LYS A 26 -13.231 2.708 -3.486 1.00 0.00 N ATOM 418 CA LYS A 26 -14.575 3.334 -3.424 1.00 0.00 C ATOM 419 C LYS A 26 -15.635 2.253 -3.205 1.00 0.00 C ATOM 420 O LYS A 26 -16.546 2.415 -2.419 1.00 0.00 O ATOM 421 CB LYS A 26 -14.858 4.075 -4.732 1.00 0.00 C ATOM 422 CG LYS A 26 -14.639 5.576 -4.527 1.00 0.00 C ATOM 423 CD LYS A 26 -14.681 6.289 -5.880 1.00 0.00 C ATOM 424 CE LYS A 26 -14.478 7.791 -5.671 1.00 0.00 C ATOM 425 NZ LYS A 26 -14.351 8.466 -6.995 1.00 0.00 N ATOM 0 H LYS A 26 -12.699 2.903 -4.334 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.606 4.042 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.202 3.706 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.882 3.887 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -15.408 5.979 -3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.679 5.751 -4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.905 5.894 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.637 6.105 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.319 8.209 -5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.584 7.968 -5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -14.213 9.487 -6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.535 8.075 -7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.216 8.308 -7.550 1.00 0.00 H new ATOM 439 N GLU A 27 -15.522 1.150 -3.893 1.00 0.00 N ATOM 440 CA GLU A 27 -16.518 0.064 -3.724 1.00 0.00 C ATOM 441 C GLU A 27 -16.593 -0.325 -2.249 1.00 0.00 C ATOM 442 O GLU A 27 -17.620 -0.749 -1.758 1.00 0.00 O ATOM 443 CB GLU A 27 -16.087 -1.145 -4.552 1.00 0.00 C ATOM 444 CG GLU A 27 -15.923 -0.735 -6.016 1.00 0.00 C ATOM 445 CD GLU A 27 -16.501 -1.826 -6.918 1.00 0.00 C ATOM 446 OE1 GLU A 27 -17.658 -2.168 -6.735 1.00 0.00 O ATOM 447 OE2 GLU A 27 -15.777 -2.303 -7.777 1.00 0.00 O ATOM 0 H GLU A 27 -14.780 0.957 -4.566 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.498 0.404 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.148 -1.544 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.829 -1.939 -4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.432 0.211 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.869 -0.579 -6.245 1.00 0.00 H new ATOM 454 N LEU A 28 -15.509 -0.181 -1.539 1.00 0.00 N ATOM 455 CA LEU A 28 -15.504 -0.540 -0.095 1.00 0.00 C ATOM 456 C LEU A 28 -16.229 0.542 0.703 1.00 0.00 C ATOM 457 O LEU A 28 -17.241 0.300 1.329 1.00 0.00 O ATOM 458 CB LEU A 28 -14.059 -0.639 0.395 1.00 0.00 C ATOM 459 CG LEU A 28 -13.715 -2.095 0.711 1.00 0.00 C ATOM 460 CD1 LEU A 28 -13.816 -2.935 -0.563 1.00 0.00 C ATOM 461 CD2 LEU A 28 -12.287 -2.166 1.257 1.00 0.00 C ATOM 0 H LEU A 28 -14.622 0.172 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 28 -16.009 -1.496 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.381 -0.253 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.924 -0.023 1.284 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.413 -2.483 1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.570 -3.972 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.831 -2.880 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.118 -2.552 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.035 -3.202 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -11.593 -1.779 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.214 -1.567 2.165 1.00 0.00 H new ATOM 473 N GLY A 29 -15.708 1.734 0.689 1.00 0.00 N ATOM 474 CA GLY A 29 -16.340 2.841 1.444 1.00 0.00 C ATOM 475 C GLY A 29 -15.283 3.900 1.765 1.00 0.00 C ATOM 476 O GLY A 29 -15.313 4.517 2.812 1.00 0.00 O ATOM 0 H GLY A 29 -14.862 1.989 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.147 3.282 0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.784 2.462 2.365 1.00 0.00 H new ATOM 480 N PHE A 30 -14.347 4.104 0.871 1.00 0.00 N ATOM 481 CA PHE A 30 -13.272 5.114 1.111 1.00 0.00 C ATOM 482 C PHE A 30 -13.382 6.243 0.078 1.00 0.00 C ATOM 483 O PHE A 30 -13.642 6.005 -1.084 1.00 0.00 O ATOM 484 CB PHE A 30 -11.902 4.438 0.974 1.00 0.00 C ATOM 485 CG PHE A 30 -11.615 3.620 2.201 1.00 0.00 C ATOM 486 CD1 PHE A 30 -11.379 4.264 3.413 1.00 0.00 C ATOM 487 CD2 PHE A 30 -11.557 2.220 2.120 1.00 0.00 C ATOM 488 CE1 PHE A 30 -11.084 3.515 4.557 1.00 0.00 C ATOM 489 CE2 PHE A 30 -11.267 1.469 3.265 1.00 0.00 C ATOM 490 CZ PHE A 30 -11.029 2.117 4.484 1.00 0.00 C ATOM 0 H PHE A 30 -14.282 3.611 -0.020 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.383 5.527 2.113 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.887 3.801 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.126 5.191 0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.424 5.342 3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.736 1.724 1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.899 4.014 5.496 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.227 0.391 3.209 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.803 1.539 5.368 1.00 0.00 H new ATOM 500 N ASN A 31 -13.195 7.470 0.500 1.00 0.00 N ATOM 501 CA ASN A 31 -13.294 8.619 -0.441 1.00 0.00 C ATOM 502 C ASN A 31 -12.152 9.611 -0.169 1.00 0.00 C ATOM 503 O ASN A 31 -12.374 10.744 0.216 1.00 0.00 O ATOM 504 CB ASN A 31 -14.641 9.302 -0.222 1.00 0.00 C ATOM 505 CG ASN A 31 -15.072 9.123 1.236 1.00 0.00 C ATOM 506 OD1 ASN A 31 -14.287 9.323 2.142 1.00 0.00 O ATOM 507 ND2 ASN A 31 -16.293 8.752 1.501 1.00 0.00 N ATOM 0 H ASN A 31 -12.977 7.722 1.464 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.215 8.272 -1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.567 10.362 -0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -15.390 8.875 -0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.590 8.629 2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.952 8.584 0.740 1.00 0.00 H new ATOM 514 N ASN A 32 -10.929 9.196 -0.368 1.00 0.00 N ATOM 515 CA ASN A 32 -9.768 10.109 -0.128 1.00 0.00 C ATOM 516 C ASN A 32 -8.483 9.376 -0.520 1.00 0.00 C ATOM 517 O ASN A 32 -7.936 8.608 0.248 1.00 0.00 O ATOM 518 CB ASN A 32 -9.707 10.508 1.355 1.00 0.00 C ATOM 519 CG ASN A 32 -9.275 11.970 1.471 1.00 0.00 C ATOM 520 OD1 ASN A 32 -8.109 12.253 1.984 1.00 0.00 O flip ATOM 521 ND2 ASN A 32 -10.005 12.864 1.092 1.00 0.00 N flip ATOM 0 H ASN A 32 -10.681 8.260 -0.688 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.881 11.013 -0.726 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.682 10.368 1.821 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.004 9.867 1.887 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.916 12.643 0.691 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.707 13.836 1.175 1.00 0.00 H new ATOM 528 N VAL A 33 -8.007 9.578 -1.719 1.00 0.00 N ATOM 529 CA VAL A 33 -6.773 8.861 -2.150 1.00 0.00 C ATOM 530 C VAL A 33 -5.987 9.698 -3.166 1.00 0.00 C ATOM 531 O VAL A 33 -6.565 10.403 -3.970 1.00 0.00 O ATOM 532 CB VAL A 33 -7.192 7.542 -2.802 1.00 0.00 C ATOM 533 CG1 VAL A 33 -8.066 7.839 -4.021 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.954 6.760 -3.247 1.00 0.00 C ATOM 0 H VAL A 33 -8.415 10.203 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.135 8.683 -1.284 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.750 6.947 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.367 6.902 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.953 8.390 -3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.502 8.437 -4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.263 5.823 -3.710 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.389 7.352 -3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.327 6.548 -2.381 1.00 0.00 H new ATOM 544 N GLU A 34 -4.674 9.599 -3.157 1.00 0.00 N ATOM 545 CA GLU A 34 -3.851 10.357 -4.142 1.00 0.00 C ATOM 546 C GLU A 34 -3.079 9.345 -4.982 1.00 0.00 C ATOM 547 O GLU A 34 -3.394 8.171 -4.984 1.00 0.00 O ATOM 548 CB GLU A 34 -2.892 11.285 -3.404 1.00 0.00 C ATOM 549 CG GLU A 34 -3.568 12.638 -3.170 1.00 0.00 C ATOM 550 CD GLU A 34 -3.659 13.401 -4.492 1.00 0.00 C ATOM 551 OE1 GLU A 34 -2.628 13.842 -4.972 1.00 0.00 O ATOM 552 OE2 GLU A 34 -4.760 13.532 -5.003 1.00 0.00 O ATOM 0 H GLU A 34 -4.142 9.022 -2.505 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.483 10.968 -4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.602 10.842 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.979 11.418 -3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.565 12.491 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.001 13.218 -2.442 1.00 0.00 H new ATOM 559 N GLU A 35 -2.081 9.774 -5.696 1.00 0.00 N ATOM 560 CA GLU A 35 -1.318 8.814 -6.539 1.00 0.00 C ATOM 561 C GLU A 35 0.130 9.263 -6.685 1.00 0.00 C ATOM 562 O GLU A 35 0.461 10.421 -6.518 1.00 0.00 O ATOM 563 CB GLU A 35 -1.945 8.724 -7.939 1.00 0.00 C ATOM 564 CG GLU A 35 -3.457 8.968 -7.874 1.00 0.00 C ATOM 565 CD GLU A 35 -4.041 8.891 -9.286 1.00 0.00 C ATOM 566 OE1 GLU A 35 -4.202 7.787 -9.780 1.00 0.00 O ATOM 567 OE2 GLU A 35 -4.318 9.938 -9.850 1.00 0.00 O ATOM 0 H GLU A 35 -1.760 10.742 -5.734 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.351 7.839 -6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.481 9.458 -8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.749 7.741 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.930 8.225 -7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.661 9.945 -7.436 1.00 0.00 H new ATOM 574 N ALA A 36 0.989 8.347 -7.022 1.00 0.00 N ATOM 575 CA ALA A 36 2.422 8.690 -7.215 1.00 0.00 C ATOM 576 C ALA A 36 2.963 7.843 -8.368 1.00 0.00 C ATOM 577 O ALA A 36 2.203 7.199 -9.065 1.00 0.00 O ATOM 578 CB ALA A 36 3.196 8.410 -5.927 1.00 0.00 C ATOM 0 H ALA A 36 0.758 7.365 -7.174 1.00 0.00 H new ATOM 0 HA ALA A 36 2.536 9.747 -7.454 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.246 8.662 -6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.786 9.014 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.108 7.354 -5.672 1.00 0.00 H new ATOM 584 N GLU A 37 4.253 7.851 -8.592 1.00 0.00 N ATOM 585 CA GLU A 37 4.822 7.053 -9.726 1.00 0.00 C ATOM 586 C GLU A 37 5.856 6.041 -9.221 1.00 0.00 C ATOM 587 O GLU A 37 6.288 5.179 -9.959 1.00 0.00 O ATOM 588 CB GLU A 37 5.486 7.995 -10.738 1.00 0.00 C ATOM 589 CG GLU A 37 5.673 9.383 -10.120 1.00 0.00 C ATOM 590 CD GLU A 37 4.320 10.093 -10.039 1.00 0.00 C ATOM 591 OE1 GLU A 37 3.546 9.960 -10.974 1.00 0.00 O ATOM 592 OE2 GLU A 37 4.081 10.759 -9.045 1.00 0.00 O ATOM 0 H GLU A 37 4.936 8.373 -8.042 1.00 0.00 H new ATOM 0 HA GLU A 37 4.007 6.509 -10.203 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.451 7.591 -11.043 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.872 8.068 -11.636 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.109 9.294 -9.125 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.368 9.970 -10.721 1.00 0.00 H new ATOM 599 N ASP A 38 6.261 6.118 -7.979 1.00 0.00 N ATOM 600 CA ASP A 38 7.263 5.130 -7.480 1.00 0.00 C ATOM 601 C ASP A 38 7.522 5.354 -5.992 1.00 0.00 C ATOM 602 O ASP A 38 7.065 6.315 -5.405 1.00 0.00 O ATOM 603 CB ASP A 38 8.582 5.268 -8.251 1.00 0.00 C ATOM 604 CG ASP A 38 8.639 6.619 -8.967 1.00 0.00 C ATOM 605 OD1 ASP A 38 8.909 7.607 -8.307 1.00 0.00 O ATOM 606 OD2 ASP A 38 8.417 6.640 -10.166 1.00 0.00 O ATOM 0 H ASP A 38 5.947 6.810 -7.299 1.00 0.00 H new ATOM 0 HA ASP A 38 6.863 4.128 -7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.424 5.177 -7.565 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.673 4.460 -8.977 1.00 0.00 H new ATOM 611 N GLY A 39 8.251 4.464 -5.376 1.00 0.00 N ATOM 612 CA GLY A 39 8.540 4.609 -3.924 1.00 0.00 C ATOM 613 C GLY A 39 9.212 5.958 -3.654 1.00 0.00 C ATOM 614 O GLY A 39 8.855 6.663 -2.730 1.00 0.00 O ATOM 0 H GLY A 39 8.659 3.641 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.615 4.533 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.188 3.798 -3.591 1.00 0.00 H new ATOM 618 N VAL A 40 10.182 6.330 -4.448 1.00 0.00 N ATOM 619 CA VAL A 40 10.862 7.636 -4.218 1.00 0.00 C ATOM 620 C VAL A 40 9.819 8.751 -4.256 1.00 0.00 C ATOM 621 O VAL A 40 9.859 9.684 -3.477 1.00 0.00 O ATOM 622 CB VAL A 40 11.914 7.875 -5.304 1.00 0.00 C ATOM 623 CG1 VAL A 40 11.236 7.908 -6.672 1.00 0.00 C ATOM 624 CG2 VAL A 40 12.612 9.213 -5.050 1.00 0.00 C ATOM 0 H VAL A 40 10.530 5.789 -5.240 1.00 0.00 H new ATOM 0 HA VAL A 40 11.356 7.625 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 40 12.649 7.070 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.985 8.078 -7.445 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.737 6.956 -6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.502 8.713 -6.695 1.00 0.00 H new ATOM 0 HG21 VAL A 40 13.362 9.385 -5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.877 10.017 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.096 9.191 -4.073 1.00 0.00 H new ATOM 634 N ASP A 41 8.873 8.653 -5.148 1.00 0.00 N ATOM 635 CA ASP A 41 7.820 9.698 -5.223 1.00 0.00 C ATOM 636 C ASP A 41 7.031 9.679 -3.921 1.00 0.00 C ATOM 637 O ASP A 41 6.851 10.692 -3.274 1.00 0.00 O ATOM 638 CB ASP A 41 6.883 9.398 -6.387 1.00 0.00 C ATOM 639 CG ASP A 41 6.065 10.647 -6.719 1.00 0.00 C ATOM 640 OD1 ASP A 41 5.245 11.030 -5.900 1.00 0.00 O ATOM 641 OD2 ASP A 41 6.275 11.205 -7.784 1.00 0.00 O ATOM 0 H ASP A 41 8.785 7.896 -5.826 1.00 0.00 H new ATOM 0 HA ASP A 41 8.275 10.677 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.458 9.084 -7.259 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.219 8.573 -6.130 1.00 0.00 H new ATOM 646 N ALA A 42 6.570 8.526 -3.523 1.00 0.00 N ATOM 647 CA ALA A 42 5.809 8.441 -2.251 1.00 0.00 C ATOM 648 C ALA A 42 6.639 9.103 -1.151 1.00 0.00 C ATOM 649 O ALA A 42 6.157 9.929 -0.412 1.00 0.00 O ATOM 650 CB ALA A 42 5.562 6.974 -1.897 1.00 0.00 C ATOM 0 H ALA A 42 6.688 7.644 -4.022 1.00 0.00 H new ATOM 0 HA ALA A 42 4.848 8.945 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.003 6.914 -0.963 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.989 6.499 -2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.517 6.462 -1.782 1.00 0.00 H new ATOM 656 N LEU A 43 7.891 8.752 -1.047 1.00 0.00 N ATOM 657 CA LEU A 43 8.759 9.366 -0.001 1.00 0.00 C ATOM 658 C LEU A 43 8.558 10.884 0.011 1.00 0.00 C ATOM 659 O LEU A 43 8.446 11.497 1.055 1.00 0.00 O ATOM 660 CB LEU A 43 10.226 9.060 -0.313 1.00 0.00 C ATOM 661 CG LEU A 43 11.086 9.383 0.909 1.00 0.00 C ATOM 662 CD1 LEU A 43 11.341 8.102 1.706 1.00 0.00 C ATOM 663 CD2 LEU A 43 12.423 9.971 0.449 1.00 0.00 C ATOM 0 H LEU A 43 8.352 8.064 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 43 8.493 8.954 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.340 8.010 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.557 9.648 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 43 10.567 10.106 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.954 8.332 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.390 7.681 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.861 7.379 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.038 10.202 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.942 9.247 -0.180 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.243 10.883 -0.120 1.00 0.00 H new ATOM 675 N ASN A 44 8.526 11.495 -1.141 1.00 0.00 N ATOM 676 CA ASN A 44 8.348 12.975 -1.196 1.00 0.00 C ATOM 677 C ASN A 44 6.872 13.340 -1.009 1.00 0.00 C ATOM 678 O ASN A 44 6.545 14.399 -0.512 1.00 0.00 O ATOM 679 CB ASN A 44 8.824 13.487 -2.556 1.00 0.00 C ATOM 680 CG ASN A 44 10.301 13.879 -2.468 1.00 0.00 C ATOM 681 OD1 ASN A 44 10.672 14.725 -1.678 1.00 0.00 O ATOM 682 ND2 ASN A 44 11.165 13.295 -3.254 1.00 0.00 N ATOM 0 H ASN A 44 8.615 11.035 -2.047 1.00 0.00 H new ATOM 0 HA ASN A 44 8.931 13.433 -0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.686 12.717 -3.315 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.227 14.346 -2.862 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.152 13.549 -3.205 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.853 12.585 -3.917 1.00 0.00 H new ATOM 689 N LYS A 45 5.978 12.482 -1.414 1.00 0.00 N ATOM 690 CA LYS A 45 4.527 12.797 -1.269 1.00 0.00 C ATOM 691 C LYS A 45 4.007 12.304 0.085 1.00 0.00 C ATOM 692 O LYS A 45 2.909 12.625 0.485 1.00 0.00 O ATOM 693 CB LYS A 45 3.743 12.113 -2.391 1.00 0.00 C ATOM 694 CG LYS A 45 2.627 13.041 -2.875 1.00 0.00 C ATOM 695 CD LYS A 45 1.613 12.238 -3.694 1.00 0.00 C ATOM 696 CE LYS A 45 0.922 13.158 -4.699 1.00 0.00 C ATOM 697 NZ LYS A 45 1.745 13.250 -5.939 1.00 0.00 N ATOM 0 H LYS A 45 6.187 11.578 -1.838 1.00 0.00 H new ATOM 0 HA LYS A 45 4.394 13.877 -1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.410 11.868 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.320 11.174 -2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.133 13.508 -2.023 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.045 13.844 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.116 11.424 -4.217 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.874 11.784 -3.033 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.070 12.774 -4.936 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.786 14.149 -4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.466 14.094 -6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.751 13.319 -5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.593 12.401 -6.520 1.00 0.00 H new ATOM 711 N LEU A 46 4.782 11.535 0.796 1.00 0.00 N ATOM 712 CA LEU A 46 4.314 11.033 2.120 1.00 0.00 C ATOM 713 C LEU A 46 4.291 12.201 3.108 1.00 0.00 C ATOM 714 O LEU A 46 3.826 12.077 4.223 1.00 0.00 O ATOM 715 CB LEU A 46 5.268 9.941 2.625 1.00 0.00 C ATOM 716 CG LEU A 46 4.538 8.592 2.737 1.00 0.00 C ATOM 717 CD1 LEU A 46 3.414 8.693 3.768 1.00 0.00 C ATOM 718 CD2 LEU A 46 3.941 8.195 1.382 1.00 0.00 C ATOM 0 H LEU A 46 5.716 11.232 0.520 1.00 0.00 H new ATOM 0 HA LEU A 46 3.314 10.610 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.114 9.847 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.671 10.224 3.597 1.00 0.00 H new ATOM 0 HG LEU A 46 5.257 7.835 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.901 7.734 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.833 8.956 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.705 9.461 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.428 7.238 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.232 8.957 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.739 8.107 0.645 1.00 0.00 H new ATOM 730 N GLN A 47 4.781 13.339 2.695 1.00 0.00 N ATOM 731 CA GLN A 47 4.781 14.526 3.593 1.00 0.00 C ATOM 732 C GLN A 47 3.538 15.367 3.297 1.00 0.00 C ATOM 733 O GLN A 47 3.182 16.255 4.047 1.00 0.00 O ATOM 734 CB GLN A 47 6.045 15.356 3.337 1.00 0.00 C ATOM 735 CG GLN A 47 5.909 16.740 3.985 1.00 0.00 C ATOM 736 CD GLN A 47 5.386 16.595 5.415 1.00 0.00 C ATOM 737 OE1 GLN A 47 5.842 15.748 6.158 1.00 0.00 O ATOM 738 NE2 GLN A 47 4.441 17.390 5.835 1.00 0.00 N ATOM 0 H GLN A 47 5.182 13.496 1.771 1.00 0.00 H new ATOM 0 HA GLN A 47 4.768 14.208 4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.916 14.841 3.742 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.208 15.463 2.265 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.875 17.245 3.991 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.229 17.360 3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.058 18.101 5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.085 17.301 6.787 1.00 0.00 H new ATOM 747 N ALA A 48 2.876 15.090 2.205 1.00 0.00 N ATOM 748 CA ALA A 48 1.654 15.863 1.850 1.00 0.00 C ATOM 749 C ALA A 48 0.773 16.021 3.090 1.00 0.00 C ATOM 750 O ALA A 48 0.589 17.110 3.596 1.00 0.00 O ATOM 751 CB ALA A 48 0.878 15.118 0.762 1.00 0.00 C ATOM 0 H ALA A 48 3.132 14.358 1.542 1.00 0.00 H new ATOM 0 HA ALA A 48 1.940 16.848 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.017 15.683 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.507 15.006 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.591 14.133 1.130 1.00 0.00 H new ATOM 757 N GLY A 49 0.228 14.941 3.584 1.00 0.00 N ATOM 758 CA GLY A 49 -0.638 15.028 4.795 1.00 0.00 C ATOM 759 C GLY A 49 -0.425 13.789 5.664 1.00 0.00 C ATOM 760 O GLY A 49 -1.123 13.575 6.636 1.00 0.00 O ATOM 0 H GLY A 49 0.345 14.003 3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.400 15.928 5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -1.685 15.104 4.502 1.00 0.00 H new ATOM 764 N GLY A 50 0.528 12.965 5.322 1.00 0.00 N ATOM 765 CA GLY A 50 0.773 11.738 6.130 1.00 0.00 C ATOM 766 C GLY A 50 -0.326 10.726 5.823 1.00 0.00 C ATOM 767 O GLY A 50 -1.318 10.641 6.519 1.00 0.00 O ATOM 0 H GLY A 50 1.146 13.089 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.751 11.318 5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.779 11.980 7.193 1.00 0.00 H new ATOM 771 N TYR A 51 -0.165 9.970 4.777 1.00 0.00 N ATOM 772 CA TYR A 51 -1.206 8.981 4.411 1.00 0.00 C ATOM 773 C TYR A 51 -1.347 7.934 5.500 1.00 0.00 C ATOM 774 O TYR A 51 -0.378 7.460 6.055 1.00 0.00 O ATOM 775 CB TYR A 51 -0.822 8.297 3.108 1.00 0.00 C ATOM 776 CG TYR A 51 -0.971 9.282 1.989 1.00 0.00 C ATOM 777 CD1 TYR A 51 0.089 10.131 1.679 1.00 0.00 C ATOM 778 CD2 TYR A 51 -2.173 9.365 1.279 1.00 0.00 C ATOM 779 CE1 TYR A 51 -0.045 11.069 0.654 1.00 0.00 C ATOM 780 CE2 TYR A 51 -2.313 10.308 0.257 1.00 0.00 C ATOM 781 CZ TYR A 51 -1.243 11.162 -0.057 1.00 0.00 C ATOM 782 OH TYR A 51 -1.371 12.105 -1.056 1.00 0.00 O ATOM 0 H TYR A 51 0.646 9.996 4.159 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.156 9.502 4.292 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.205 7.935 3.159 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -1.458 7.429 2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.014 10.063 2.232 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.991 8.702 1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.779 11.724 0.411 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.242 10.380 -0.290 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.486 12.449 -1.296 1.00 0.00 H new ATOM 792 N GLY A 52 -2.555 7.561 5.799 1.00 0.00 N ATOM 793 CA GLY A 52 -2.774 6.537 6.843 1.00 0.00 C ATOM 794 C GLY A 52 -2.665 5.147 6.223 1.00 0.00 C ATOM 795 O GLY A 52 -2.767 4.153 6.907 1.00 0.00 O ATOM 0 H GLY A 52 -3.402 7.924 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.038 6.651 7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.757 6.669 7.296 1.00 0.00 H new ATOM 799 N PHE A 53 -2.490 5.057 4.926 1.00 0.00 N ATOM 800 CA PHE A 53 -2.412 3.706 4.295 1.00 0.00 C ATOM 801 C PHE A 53 -1.945 3.824 2.835 1.00 0.00 C ATOM 802 O PHE A 53 -2.739 4.026 1.944 1.00 0.00 O ATOM 803 CB PHE A 53 -3.817 3.114 4.341 1.00 0.00 C ATOM 804 CG PHE A 53 -3.774 1.619 4.247 1.00 0.00 C ATOM 805 CD1 PHE A 53 -3.396 1.008 3.056 1.00 0.00 C ATOM 806 CD2 PHE A 53 -4.138 0.841 5.350 1.00 0.00 C ATOM 807 CE1 PHE A 53 -3.377 -0.378 2.961 1.00 0.00 C ATOM 808 CE2 PHE A 53 -4.122 -0.545 5.262 1.00 0.00 C ATOM 809 CZ PHE A 53 -3.741 -1.163 4.064 1.00 0.00 C ATOM 0 H PHE A 53 -2.399 5.848 4.288 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.699 3.074 4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.310 3.410 5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.412 3.516 3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.117 1.611 2.205 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.432 1.319 6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.081 -0.851 2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.403 -1.145 6.115 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.728 -2.240 3.990 1.00 0.00 H new ATOM 819 N VAL A 54 -0.674 3.690 2.563 1.00 0.00 N ATOM 820 CA VAL A 54 -0.230 3.808 1.142 1.00 0.00 C ATOM 821 C VAL A 54 -0.140 2.423 0.487 1.00 0.00 C ATOM 822 O VAL A 54 0.255 1.448 1.101 1.00 0.00 O ATOM 823 CB VAL A 54 1.125 4.521 1.079 1.00 0.00 C ATOM 824 CG1 VAL A 54 0.995 5.950 1.611 1.00 0.00 C ATOM 825 CG2 VAL A 54 2.147 3.781 1.917 1.00 0.00 C ATOM 0 H VAL A 54 0.062 3.508 3.245 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.965 4.396 0.592 1.00 0.00 H new ATOM 0 HB VAL A 54 1.450 4.543 0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.964 6.446 1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.274 6.500 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.654 5.923 2.646 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.105 4.298 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.811 3.746 2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.261 2.765 1.538 1.00 0.00 H new ATOM 835 N ILE A 55 -0.523 2.343 -0.763 1.00 0.00 N ATOM 836 CA ILE A 55 -0.485 1.045 -1.505 1.00 0.00 C ATOM 837 C ILE A 55 0.442 1.196 -2.713 1.00 0.00 C ATOM 838 O ILE A 55 0.033 1.680 -3.750 1.00 0.00 O ATOM 839 CB ILE A 55 -1.893 0.703 -2.005 1.00 0.00 C ATOM 840 CG1 ILE A 55 -2.887 0.747 -0.843 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.895 -0.699 -2.615 1.00 0.00 C ATOM 842 CD1 ILE A 55 -4.310 0.620 -1.394 1.00 0.00 C ATOM 0 H ILE A 55 -0.865 3.134 -1.309 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.125 0.255 -0.846 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.187 1.433 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.682 -0.062 -0.142 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.779 1.681 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.897 -0.940 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.196 -0.733 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.593 -1.425 -1.860 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.023 0.651 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.510 1.445 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.411 -0.326 -1.926 1.00 0.00 H new ATOM 854 N SER A 56 1.683 0.795 -2.586 1.00 0.00 N ATOM 855 CA SER A 56 2.636 0.929 -3.729 1.00 0.00 C ATOM 856 C SER A 56 3.000 -0.449 -4.280 1.00 0.00 C ATOM 857 O SER A 56 2.561 -1.469 -3.785 1.00 0.00 O ATOM 858 CB SER A 56 3.904 1.642 -3.256 1.00 0.00 C ATOM 859 OG SER A 56 3.550 2.872 -2.638 1.00 0.00 O ATOM 0 H SER A 56 2.076 0.381 -1.741 1.00 0.00 H new ATOM 0 HA SER A 56 2.161 1.511 -4.519 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.448 1.012 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.569 1.824 -4.100 1.00 0.00 H new ATOM 0 HG SER A 56 4.361 3.330 -2.333 1.00 0.00 H new ATOM 865 N ASP A 57 3.792 -0.481 -5.318 1.00 0.00 N ATOM 866 CA ASP A 57 4.181 -1.781 -5.927 1.00 0.00 C ATOM 867 C ASP A 57 5.458 -2.313 -5.267 1.00 0.00 C ATOM 868 O ASP A 57 5.503 -2.535 -4.073 1.00 0.00 O ATOM 869 CB ASP A 57 4.428 -1.581 -7.423 1.00 0.00 C ATOM 870 CG ASP A 57 3.269 -0.787 -8.024 1.00 0.00 C ATOM 871 OD1 ASP A 57 3.356 0.429 -8.034 1.00 0.00 O ATOM 872 OD2 ASP A 57 2.314 -1.409 -8.462 1.00 0.00 O ATOM 0 H ASP A 57 4.187 0.343 -5.771 1.00 0.00 H new ATOM 0 HA ASP A 57 3.378 -2.502 -5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.367 -1.051 -7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.519 -2.546 -7.921 1.00 0.00 H new ATOM 877 N TRP A 58 6.487 -2.527 -6.048 1.00 0.00 N ATOM 878 CA TRP A 58 7.769 -3.057 -5.498 1.00 0.00 C ATOM 879 C TRP A 58 8.921 -2.151 -5.930 1.00 0.00 C ATOM 880 O TRP A 58 8.716 -1.107 -6.516 1.00 0.00 O ATOM 881 CB TRP A 58 7.989 -4.469 -6.049 1.00 0.00 C ATOM 882 CG TRP A 58 9.154 -5.118 -5.372 1.00 0.00 C ATOM 883 CD1 TRP A 58 10.294 -5.504 -5.990 1.00 0.00 C ATOM 884 CD2 TRP A 58 9.311 -5.473 -3.969 1.00 0.00 C ATOM 885 NE1 TRP A 58 11.140 -6.072 -5.056 1.00 0.00 N ATOM 886 CE2 TRP A 58 10.579 -6.076 -3.794 1.00 0.00 C ATOM 887 CE3 TRP A 58 8.483 -5.333 -2.841 1.00 0.00 C ATOM 888 CZ2 TRP A 58 11.011 -6.523 -2.546 1.00 0.00 C ATOM 889 CZ3 TRP A 58 8.916 -5.779 -1.583 1.00 0.00 C ATOM 890 CH2 TRP A 58 10.176 -6.374 -1.436 1.00 0.00 C ATOM 0 H TRP A 58 6.492 -2.355 -7.053 1.00 0.00 H new ATOM 0 HA TRP A 58 7.728 -3.085 -4.409 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.092 -5.069 -5.897 1.00 0.00 H new ATOM 0 HB3 TRP A 58 8.164 -4.423 -7.124 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.508 -5.387 -7.042 1.00 0.00 H new ATOM 0 HE1 TRP A 58 12.065 -6.443 -5.272 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.508 -4.880 -2.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.983 -6.981 -2.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.274 -5.663 -0.722 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.501 -6.717 -0.465 1.00 0.00 H new ATOM 901 N ASN A 59 10.132 -2.540 -5.641 1.00 0.00 N ATOM 902 CA ASN A 59 11.298 -1.699 -6.030 1.00 0.00 C ATOM 903 C ASN A 59 11.841 -2.163 -7.383 1.00 0.00 C ATOM 904 O ASN A 59 13.006 -2.483 -7.522 1.00 0.00 O ATOM 905 CB ASN A 59 12.389 -1.826 -4.964 1.00 0.00 C ATOM 906 CG ASN A 59 12.426 -3.262 -4.438 1.00 0.00 C ATOM 907 OD1 ASN A 59 11.586 -3.654 -3.652 1.00 0.00 O ATOM 908 ND2 ASN A 59 13.369 -4.067 -4.841 1.00 0.00 N ATOM 0 H ASN A 59 10.364 -3.404 -5.152 1.00 0.00 H new ATOM 0 HA ASN A 59 10.986 -0.658 -6.110 1.00 0.00 H new ATOM 0 HB2 ASN A 59 13.357 -1.557 -5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.195 -1.133 -4.146 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.402 -5.027 -4.497 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.074 -3.737 -5.501 1.00 0.00 H new ATOM 915 N MET A 60 11.010 -2.199 -8.388 1.00 0.00 N ATOM 916 CA MET A 60 11.486 -2.636 -9.728 1.00 0.00 C ATOM 917 C MET A 60 12.305 -1.520 -10.396 1.00 0.00 C ATOM 918 O MET A 60 13.355 -1.793 -10.944 1.00 0.00 O ATOM 919 CB MET A 60 10.292 -3.005 -10.614 1.00 0.00 C ATOM 920 CG MET A 60 10.459 -4.439 -11.120 1.00 0.00 C ATOM 921 SD MET A 60 10.398 -5.585 -9.721 1.00 0.00 S ATOM 922 CE MET A 60 11.783 -6.633 -10.228 1.00 0.00 C ATOM 0 H MET A 60 10.023 -1.945 -8.338 1.00 0.00 H new ATOM 0 HA MET A 60 12.123 -3.512 -9.602 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.364 -2.912 -10.050 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.223 -2.316 -11.456 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.671 -4.678 -11.834 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.408 -4.542 -11.647 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.928 -7.425 -9.493 1.00 0.00 H new ATOM 0 HE2 MET A 60 11.568 -7.075 -11.201 1.00 0.00 H new ATOM 0 HE3 MET A 60 12.689 -6.031 -10.296 1.00 0.00 H new ATOM 932 N PRO A 61 11.819 -0.292 -10.356 1.00 0.00 N ATOM 933 CA PRO A 61 12.535 0.834 -10.984 1.00 0.00 C ATOM 934 C PRO A 61 13.839 1.119 -10.230 1.00 0.00 C ATOM 935 O PRO A 61 14.880 1.318 -10.824 1.00 0.00 O ATOM 936 CB PRO A 61 11.577 2.027 -10.870 1.00 0.00 C ATOM 937 CG PRO A 61 10.296 1.533 -10.152 1.00 0.00 C ATOM 938 CD PRO A 61 10.543 0.083 -9.707 1.00 0.00 C ATOM 0 HA PRO A 61 12.806 0.625 -12.019 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.041 2.838 -10.310 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.335 2.419 -11.858 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.071 2.164 -9.292 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.437 1.587 -10.821 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.612 0.007 -8.622 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.731 -0.572 -10.021 1.00 0.00 H new ATOM 946 N ASN A 62 13.790 1.141 -8.925 1.00 0.00 N ATOM 947 CA ASN A 62 15.026 1.415 -8.137 1.00 0.00 C ATOM 948 C ASN A 62 14.805 1.018 -6.675 1.00 0.00 C ATOM 949 O ASN A 62 13.686 0.906 -6.214 1.00 0.00 O ATOM 950 CB ASN A 62 15.358 2.906 -8.215 1.00 0.00 C ATOM 951 CG ASN A 62 14.076 3.704 -8.461 1.00 0.00 C ATOM 952 OD1 ASN A 62 14.026 4.538 -9.344 1.00 0.00 O ATOM 953 ND2 ASN A 62 13.031 3.485 -7.711 1.00 0.00 N ATOM 0 H ASN A 62 12.948 0.981 -8.371 1.00 0.00 H new ATOM 0 HA ASN A 62 15.852 0.834 -8.547 1.00 0.00 H new ATOM 0 HB2 ASN A 62 15.830 3.233 -7.288 1.00 0.00 H new ATOM 0 HB3 ASN A 62 16.072 3.089 -9.018 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.172 4.014 -7.866 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.073 2.785 -6.970 1.00 0.00 H new ATOM 960 N MET A 63 15.865 0.806 -5.941 1.00 0.00 N ATOM 961 CA MET A 63 15.721 0.418 -4.508 1.00 0.00 C ATOM 962 C MET A 63 14.961 1.512 -3.755 1.00 0.00 C ATOM 963 O MET A 63 15.398 2.643 -3.682 1.00 0.00 O ATOM 964 CB MET A 63 17.109 0.243 -3.886 1.00 0.00 C ATOM 965 CG MET A 63 18.151 0.964 -4.744 1.00 0.00 C ATOM 966 SD MET A 63 19.688 1.140 -3.804 1.00 0.00 S ATOM 967 CE MET A 63 20.775 0.304 -4.985 1.00 0.00 C ATOM 0 H MET A 63 16.826 0.885 -6.273 1.00 0.00 H new ATOM 0 HA MET A 63 15.169 -0.520 -4.440 1.00 0.00 H new ATOM 0 HB2 MET A 63 17.117 0.644 -2.872 1.00 0.00 H new ATOM 0 HB3 MET A 63 17.354 -0.816 -3.812 1.00 0.00 H new ATOM 0 HG2 MET A 63 18.335 0.403 -5.660 1.00 0.00 H new ATOM 0 HG3 MET A 63 17.779 1.945 -5.040 1.00 0.00 H new ATOM 0 HE1 MET A 63 21.794 0.297 -4.599 1.00 0.00 H new ATOM 0 HE2 MET A 63 20.435 -0.721 -5.130 1.00 0.00 H new ATOM 0 HE3 MET A 63 20.751 0.832 -5.938 1.00 0.00 H new ATOM 977 N ASP A 64 13.827 1.188 -3.192 1.00 0.00 N ATOM 978 CA ASP A 64 13.053 2.220 -2.446 1.00 0.00 C ATOM 979 C ASP A 64 11.821 1.582 -1.796 1.00 0.00 C ATOM 980 O ASP A 64 11.691 1.573 -0.591 1.00 0.00 O ATOM 981 CB ASP A 64 12.604 3.320 -3.411 1.00 0.00 C ATOM 982 CG ASP A 64 13.102 4.676 -2.905 1.00 0.00 C ATOM 983 OD1 ASP A 64 14.300 4.900 -2.953 1.00 0.00 O ATOM 984 OD2 ASP A 64 12.276 5.466 -2.478 1.00 0.00 O ATOM 0 H ASP A 64 13.406 0.259 -3.217 1.00 0.00 H new ATOM 0 HA ASP A 64 13.688 2.648 -1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.997 3.126 -4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.517 3.327 -3.492 1.00 0.00 H new ATOM 989 N GLY A 65 10.919 1.063 -2.598 1.00 0.00 N ATOM 990 CA GLY A 65 9.669 0.426 -2.062 1.00 0.00 C ATOM 991 C GLY A 65 9.935 -0.279 -0.723 1.00 0.00 C ATOM 992 O GLY A 65 9.226 -0.081 0.248 1.00 0.00 O ATOM 0 H GLY A 65 10.996 1.053 -3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.899 1.186 -1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.286 -0.294 -2.785 1.00 0.00 H new ATOM 996 N LEU A 66 10.945 -1.101 -0.655 1.00 0.00 N ATOM 997 CA LEU A 66 11.232 -1.798 0.631 1.00 0.00 C ATOM 998 C LEU A 66 11.715 -0.768 1.653 1.00 0.00 C ATOM 999 O LEU A 66 11.102 -0.569 2.683 1.00 0.00 O ATOM 1000 CB LEU A 66 12.309 -2.863 0.424 1.00 0.00 C ATOM 1001 CG LEU A 66 11.875 -4.163 1.107 1.00 0.00 C ATOM 1002 CD1 LEU A 66 12.973 -5.216 0.951 1.00 0.00 C ATOM 1003 CD2 LEU A 66 11.632 -3.903 2.598 1.00 0.00 C ATOM 0 H LEU A 66 11.578 -1.319 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 66 10.326 -2.285 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 66 12.468 -3.034 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 66 13.258 -2.521 0.837 1.00 0.00 H new ATOM 0 HG LEU A 66 10.956 -4.523 0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.662 -6.140 1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.148 -5.405 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.892 -4.854 1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.323 -4.829 3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.551 -3.541 3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.849 -3.154 2.714 1.00 0.00 H new ATOM 1015 N GLU A 67 12.802 -0.102 1.374 1.00 0.00 N ATOM 1016 CA GLU A 67 13.305 0.921 2.331 1.00 0.00 C ATOM 1017 C GLU A 67 12.182 1.919 2.611 1.00 0.00 C ATOM 1018 O GLU A 67 12.246 2.704 3.537 1.00 0.00 O ATOM 1019 CB GLU A 67 14.504 1.651 1.723 1.00 0.00 C ATOM 1020 CG GLU A 67 15.706 1.527 2.662 1.00 0.00 C ATOM 1021 CD GLU A 67 16.914 2.232 2.043 1.00 0.00 C ATOM 1022 OE1 GLU A 67 16.929 2.386 0.833 1.00 0.00 O ATOM 1023 OE2 GLU A 67 17.804 2.605 2.791 1.00 0.00 O ATOM 0 H GLU A 67 13.360 -0.222 0.529 1.00 0.00 H new ATOM 0 HA GLU A 67 13.618 0.442 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.745 1.227 0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.261 2.701 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.471 1.969 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.936 0.476 2.838 1.00 0.00 H new ATOM 1030 N LEU A 68 11.144 1.881 1.819 1.00 0.00 N ATOM 1031 CA LEU A 68 10.002 2.811 2.034 1.00 0.00 C ATOM 1032 C LEU A 68 9.237 2.362 3.276 1.00 0.00 C ATOM 1033 O LEU A 68 9.041 3.117 4.206 1.00 0.00 O ATOM 1034 CB LEU A 68 9.072 2.755 0.817 1.00 0.00 C ATOM 1035 CG LEU A 68 8.778 4.161 0.304 1.00 0.00 C ATOM 1036 CD1 LEU A 68 9.997 4.687 -0.454 1.00 0.00 C ATOM 1037 CD2 LEU A 68 7.578 4.095 -0.644 1.00 0.00 C ATOM 0 H LEU A 68 11.039 1.243 1.030 1.00 0.00 H new ATOM 0 HA LEU A 68 10.365 3.830 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.533 2.162 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.140 2.258 1.087 1.00 0.00 H new ATOM 0 HG LEU A 68 8.557 4.826 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.791 5.692 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.857 4.715 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.214 4.029 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.355 5.094 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.811 3.437 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.712 3.708 -0.108 1.00 0.00 H new ATOM 1049 N LEU A 69 8.811 1.128 3.300 1.00 0.00 N ATOM 1050 CA LEU A 69 8.065 0.624 4.486 1.00 0.00 C ATOM 1051 C LEU A 69 8.991 0.649 5.702 1.00 0.00 C ATOM 1052 O LEU A 69 8.579 0.960 6.800 1.00 0.00 O ATOM 1053 CB LEU A 69 7.545 -0.795 4.182 1.00 0.00 C ATOM 1054 CG LEU A 69 8.116 -1.862 5.150 1.00 0.00 C ATOM 1055 CD1 LEU A 69 7.536 -1.681 6.565 1.00 0.00 C ATOM 1056 CD2 LEU A 69 7.739 -3.264 4.640 1.00 0.00 C ATOM 0 H LEU A 69 8.947 0.449 2.551 1.00 0.00 H new ATOM 0 HA LEU A 69 7.205 1.256 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.457 -0.800 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.807 -1.062 3.158 1.00 0.00 H new ATOM 0 HG LEU A 69 9.199 -1.747 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.950 -2.441 7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.795 -0.691 6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.451 -1.783 6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.139 -4.018 5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.654 -3.355 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.157 -3.414 3.644 1.00 0.00 H new ATOM 1068 N LYS A 70 10.246 0.336 5.509 1.00 0.00 N ATOM 1069 CA LYS A 70 11.200 0.354 6.651 1.00 0.00 C ATOM 1070 C LYS A 70 11.326 1.788 7.167 1.00 0.00 C ATOM 1071 O LYS A 70 11.109 2.061 8.331 1.00 0.00 O ATOM 1072 CB LYS A 70 12.569 -0.145 6.185 1.00 0.00 C ATOM 1073 CG LYS A 70 13.245 -0.916 7.320 1.00 0.00 C ATOM 1074 CD LYS A 70 14.644 -1.349 6.881 1.00 0.00 C ATOM 1075 CE LYS A 70 15.334 -2.084 8.031 1.00 0.00 C ATOM 1076 NZ LYS A 70 16.380 -1.205 8.626 1.00 0.00 N ATOM 0 H LYS A 70 10.648 0.069 4.610 1.00 0.00 H new ATOM 0 HA LYS A 70 10.836 -0.296 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.456 -0.788 5.312 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.191 0.697 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.309 -0.291 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.649 -1.789 7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.578 -1.998 6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.231 -0.478 6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.603 -2.362 8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.784 -3.008 7.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.849 -1.705 9.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.083 -0.961 7.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.939 -0.335 8.986 1.00 0.00 H new ATOM 1090 N THR A 71 11.662 2.708 6.306 1.00 0.00 N ATOM 1091 CA THR A 71 11.788 4.123 6.745 1.00 0.00 C ATOM 1092 C THR A 71 10.486 4.543 7.428 1.00 0.00 C ATOM 1093 O THR A 71 10.492 5.166 8.470 1.00 0.00 O ATOM 1094 CB THR A 71 12.043 5.016 5.530 1.00 0.00 C ATOM 1095 OG1 THR A 71 11.195 4.613 4.463 1.00 0.00 O ATOM 1096 CG2 THR A 71 13.506 4.892 5.100 1.00 0.00 C ATOM 0 H THR A 71 11.854 2.540 5.318 1.00 0.00 H new ATOM 0 HA THR A 71 12.621 4.224 7.441 1.00 0.00 H new ATOM 0 HB THR A 71 11.832 6.053 5.790 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.669 3.972 3.893 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.686 5.529 4.234 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.154 5.203 5.920 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.722 3.856 4.839 1.00 0.00 H new ATOM 1104 N ILE A 72 9.366 4.197 6.850 1.00 0.00 N ATOM 1105 CA ILE A 72 8.064 4.565 7.471 1.00 0.00 C ATOM 1106 C ILE A 72 7.943 3.854 8.821 1.00 0.00 C ATOM 1107 O ILE A 72 7.166 4.241 9.671 1.00 0.00 O ATOM 1108 CB ILE A 72 6.917 4.131 6.554 1.00 0.00 C ATOM 1109 CG1 ILE A 72 6.940 4.971 5.273 1.00 0.00 C ATOM 1110 CG2 ILE A 72 5.583 4.341 7.273 1.00 0.00 C ATOM 1111 CD1 ILE A 72 6.101 4.282 4.193 1.00 0.00 C ATOM 0 H ILE A 72 9.299 3.676 5.976 1.00 0.00 H new ATOM 0 HA ILE A 72 8.014 5.644 7.616 1.00 0.00 H new ATOM 0 HB ILE A 72 7.034 3.077 6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.547 5.968 5.472 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.966 5.096 4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.766 4.032 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.564 3.745 8.186 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.468 5.395 7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.118 4.880 3.282 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.514 3.295 3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.073 4.180 4.541 1.00 0.00 H new ATOM 1123 N ARG A 73 8.713 2.819 9.023 1.00 0.00 N ATOM 1124 CA ARG A 73 8.656 2.079 10.316 1.00 0.00 C ATOM 1125 C ARG A 73 9.650 2.703 11.298 1.00 0.00 C ATOM 1126 O ARG A 73 9.401 2.784 12.484 1.00 0.00 O ATOM 1127 CB ARG A 73 9.032 0.612 10.077 1.00 0.00 C ATOM 1128 CG ARG A 73 8.098 -0.307 10.873 1.00 0.00 C ATOM 1129 CD ARG A 73 8.269 -0.053 12.373 1.00 0.00 C ATOM 1130 NE ARG A 73 8.235 -1.353 13.101 1.00 0.00 N ATOM 1131 CZ ARG A 73 8.098 -1.371 14.398 1.00 0.00 C ATOM 1132 NH1 ARG A 73 8.611 -0.413 15.121 1.00 0.00 N ATOM 1133 NH2 ARG A 73 7.449 -2.347 14.973 1.00 0.00 N ATOM 0 H ARG A 73 9.382 2.453 8.345 1.00 0.00 H new ATOM 0 HA ARG A 73 7.648 2.136 10.728 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.965 0.380 9.014 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.066 0.440 10.376 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.063 -0.129 10.581 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.319 -1.350 10.645 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.213 0.458 12.561 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.475 0.600 12.735 1.00 0.00 H new ATOM 0 HE ARG A 73 8.319 -2.229 12.585 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.119 0.349 14.672 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.504 -0.426 16.135 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.049 -3.096 14.408 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.342 -2.361 15.987 1.00 0.00 H new ATOM 1147 N ALA A 74 10.779 3.144 10.810 1.00 0.00 N ATOM 1148 CA ALA A 74 11.793 3.760 11.712 1.00 0.00 C ATOM 1149 C ALA A 74 11.195 4.987 12.401 1.00 0.00 C ATOM 1150 O ALA A 74 11.508 5.288 13.536 1.00 0.00 O ATOM 1151 CB ALA A 74 13.013 4.184 10.892 1.00 0.00 C ATOM 0 H ALA A 74 11.042 3.104 9.825 1.00 0.00 H new ATOM 0 HA ALA A 74 12.092 3.032 12.466 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.755 4.635 11.551 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.444 3.310 10.403 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.710 4.909 10.137 1.00 0.00 H new ATOM 1157 N ASP A 75 10.336 5.698 11.727 1.00 0.00 N ATOM 1158 CA ASP A 75 9.720 6.906 12.346 1.00 0.00 C ATOM 1159 C ASP A 75 9.223 6.558 13.750 1.00 0.00 C ATOM 1160 O ASP A 75 8.771 5.460 14.000 1.00 0.00 O ATOM 1161 CB ASP A 75 8.540 7.372 11.490 1.00 0.00 C ATOM 1162 CG ASP A 75 8.241 8.840 11.796 1.00 0.00 C ATOM 1163 OD1 ASP A 75 9.177 9.623 11.819 1.00 0.00 O ATOM 1164 OD2 ASP A 75 7.081 9.157 12.001 1.00 0.00 O ATOM 0 H ASP A 75 10.033 5.496 10.774 1.00 0.00 H new ATOM 0 HA ASP A 75 10.461 7.703 12.407 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.773 7.249 10.432 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.662 6.760 11.696 1.00 0.00 H new ATOM 1169 N GLY A 76 9.302 7.488 14.667 1.00 0.00 N ATOM 1170 CA GLY A 76 8.834 7.216 16.059 1.00 0.00 C ATOM 1171 C GLY A 76 7.452 7.839 16.269 1.00 0.00 C ATOM 1172 O GLY A 76 6.627 7.313 16.987 1.00 0.00 O ATOM 0 H GLY A 76 9.671 8.426 14.511 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.790 6.141 16.235 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.542 7.627 16.778 1.00 0.00 H new ATOM 1176 N ALA A 77 7.197 8.959 15.650 1.00 0.00 N ATOM 1177 CA ALA A 77 5.870 9.617 15.817 1.00 0.00 C ATOM 1178 C ALA A 77 4.756 8.634 15.447 1.00 0.00 C ATOM 1179 O ALA A 77 3.647 8.733 15.935 1.00 0.00 O ATOM 1180 CB ALA A 77 5.792 10.844 14.905 1.00 0.00 C ATOM 0 H ALA A 77 7.850 9.447 15.036 1.00 0.00 H new ATOM 0 HA ALA A 77 5.748 9.925 16.855 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.822 11.326 15.026 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.582 11.546 15.171 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.916 10.535 13.867 1.00 0.00 H new ATOM 1186 N MET A 78 5.044 7.691 14.590 1.00 0.00 N ATOM 1187 CA MET A 78 4.007 6.698 14.183 1.00 0.00 C ATOM 1188 C MET A 78 4.627 5.303 14.146 1.00 0.00 C ATOM 1189 O MET A 78 4.161 4.387 14.794 1.00 0.00 O ATOM 1190 CB MET A 78 3.475 7.058 12.793 1.00 0.00 C ATOM 1191 CG MET A 78 2.945 8.494 12.802 1.00 0.00 C ATOM 1192 SD MET A 78 1.558 8.621 13.961 1.00 0.00 S ATOM 1193 CE MET A 78 1.417 10.426 13.958 1.00 0.00 C ATOM 0 H MET A 78 5.957 7.565 14.152 1.00 0.00 H new ATOM 0 HA MET A 78 3.187 6.712 14.901 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.268 6.957 12.052 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.681 6.368 12.507 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.738 9.184 13.091 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.623 8.780 11.801 1.00 0.00 H new ATOM 0 HE1 MET A 78 0.606 10.729 14.620 1.00 0.00 H new ATOM 0 HE2 MET A 78 2.352 10.865 14.306 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.208 10.773 12.946 1.00 0.00 H new ATOM 1203 N SER A 79 5.677 5.136 13.396 1.00 0.00 N ATOM 1204 CA SER A 79 6.335 3.802 13.315 1.00 0.00 C ATOM 1205 C SER A 79 5.271 2.724 13.105 1.00 0.00 C ATOM 1206 O SER A 79 5.467 1.574 13.443 1.00 0.00 O ATOM 1207 CB SER A 79 7.083 3.523 14.621 1.00 0.00 C ATOM 1208 OG SER A 79 7.060 4.689 15.434 1.00 0.00 O ATOM 0 H SER A 79 6.111 5.868 12.833 1.00 0.00 H new ATOM 0 HA SER A 79 7.037 3.793 12.481 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.619 2.689 15.148 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.112 3.234 14.409 1.00 0.00 H new ATOM 0 HG SER A 79 7.319 5.467 14.897 1.00 0.00 H new ATOM 1214 N ALA A 80 4.139 3.082 12.561 1.00 0.00 N ATOM 1215 CA ALA A 80 3.075 2.061 12.351 1.00 0.00 C ATOM 1216 C ALA A 80 2.215 2.411 11.132 1.00 0.00 C ATOM 1217 O ALA A 80 1.253 1.729 10.838 1.00 0.00 O ATOM 1218 CB ALA A 80 2.186 1.999 13.595 1.00 0.00 C ATOM 0 H ALA A 80 3.907 4.027 12.256 1.00 0.00 H new ATOM 0 HA ALA A 80 3.548 1.095 12.176 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.405 1.253 13.447 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.790 1.726 14.460 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.729 2.974 13.765 1.00 0.00 H new ATOM 1224 N LEU A 81 2.536 3.456 10.415 1.00 0.00 N ATOM 1225 CA LEU A 81 1.702 3.800 9.230 1.00 0.00 C ATOM 1226 C LEU A 81 1.623 2.553 8.312 1.00 0.00 C ATOM 1227 O LEU A 81 2.643 2.122 7.814 1.00 0.00 O ATOM 1228 CB LEU A 81 2.348 4.966 8.466 1.00 0.00 C ATOM 1229 CG LEU A 81 1.793 6.310 8.971 1.00 0.00 C ATOM 1230 CD1 LEU A 81 2.490 7.456 8.237 1.00 0.00 C ATOM 1231 CD2 LEU A 81 0.289 6.403 8.696 1.00 0.00 C ATOM 0 H LEU A 81 3.326 4.076 10.595 1.00 0.00 H new ATOM 0 HA LEU A 81 0.702 4.097 9.546 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.430 4.940 8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.153 4.863 7.399 1.00 0.00 H new ATOM 0 HG LEU A 81 1.973 6.378 10.044 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.098 8.408 8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.562 7.411 8.427 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.307 7.367 7.166 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.089 7.359 9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.110 6.325 7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.226 5.591 9.210 1.00 0.00 H new ATOM 1243 N PRO A 82 0.442 1.970 8.128 1.00 0.00 N ATOM 1244 CA PRO A 82 0.310 0.751 7.299 1.00 0.00 C ATOM 1245 C PRO A 82 0.750 0.946 5.837 1.00 0.00 C ATOM 1246 O PRO A 82 0.366 1.886 5.150 1.00 0.00 O ATOM 1247 CB PRO A 82 -1.181 0.389 7.349 1.00 0.00 C ATOM 1248 CG PRO A 82 -1.895 1.439 8.223 1.00 0.00 C ATOM 1249 CD PRO A 82 -0.838 2.439 8.712 1.00 0.00 C ATOM 0 HA PRO A 82 0.962 -0.030 7.690 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.604 0.377 6.345 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -1.317 -0.609 7.764 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.669 1.950 7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.388 0.960 9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.073 3.452 8.384 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.790 2.460 9.801 1.00 0.00 H new ATOM 1257 N VAL A 83 1.509 -0.005 5.357 1.00 0.00 N ATOM 1258 CA VAL A 83 1.965 -0.009 3.940 1.00 0.00 C ATOM 1259 C VAL A 83 1.615 -1.380 3.387 1.00 0.00 C ATOM 1260 O VAL A 83 2.177 -2.370 3.803 1.00 0.00 O ATOM 1261 CB VAL A 83 3.492 0.191 3.849 1.00 0.00 C ATOM 1262 CG1 VAL A 83 4.098 -0.687 2.731 1.00 0.00 C ATOM 1263 CG2 VAL A 83 3.802 1.637 3.521 1.00 0.00 C ATOM 0 H VAL A 83 1.839 -0.799 5.906 1.00 0.00 H new ATOM 0 HA VAL A 83 1.489 0.799 3.385 1.00 0.00 H new ATOM 0 HB VAL A 83 3.921 -0.089 4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.175 -0.528 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.895 -1.737 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.652 -0.416 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.882 1.772 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.347 1.899 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.401 2.282 4.303 1.00 0.00 H new ATOM 1273 N LEU A 84 0.704 -1.467 2.462 1.00 0.00 N ATOM 1274 CA LEU A 84 0.382 -2.808 1.917 1.00 0.00 C ATOM 1275 C LEU A 84 1.153 -2.970 0.627 1.00 0.00 C ATOM 1276 O LEU A 84 0.753 -2.512 -0.425 1.00 0.00 O ATOM 1277 CB LEU A 84 -1.139 -2.957 1.703 1.00 0.00 C ATOM 1278 CG LEU A 84 -1.553 -4.384 1.243 1.00 0.00 C ATOM 1279 CD1 LEU A 84 -0.595 -5.473 1.748 1.00 0.00 C ATOM 1280 CD2 LEU A 84 -2.941 -4.697 1.801 1.00 0.00 C ATOM 0 H LEU A 84 0.180 -0.686 2.068 1.00 0.00 H new ATOM 0 HA LEU A 84 0.671 -3.592 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.656 -2.717 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.468 -2.232 0.959 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.533 -4.388 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.934 -6.447 1.396 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.408 -5.279 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.579 -5.466 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.243 -5.696 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.914 -4.653 2.890 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.657 -3.966 1.426 1.00 0.00 H new ATOM 1292 N MET A 85 2.283 -3.607 0.721 1.00 0.00 N ATOM 1293 CA MET A 85 3.123 -3.792 -0.477 1.00 0.00 C ATOM 1294 C MET A 85 2.335 -4.601 -1.496 1.00 0.00 C ATOM 1295 O MET A 85 1.550 -5.457 -1.142 1.00 0.00 O ATOM 1296 CB MET A 85 4.411 -4.510 -0.069 1.00 0.00 C ATOM 1297 CG MET A 85 5.406 -4.487 -1.231 1.00 0.00 C ATOM 1298 SD MET A 85 6.804 -3.419 -0.802 1.00 0.00 S ATOM 1299 CE MET A 85 5.913 -1.845 -0.843 1.00 0.00 C ATOM 0 H MET A 85 2.657 -4.007 1.581 1.00 0.00 H new ATOM 0 HA MET A 85 3.392 -2.835 -0.924 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.847 -4.026 0.805 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.191 -5.540 0.213 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.757 -5.497 -1.444 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.919 -4.122 -2.135 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.628 -1.023 -0.887 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.270 -1.814 -1.722 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.304 -1.748 0.056 1.00 0.00 H new ATOM 1309 N VAL A 86 2.501 -4.304 -2.753 1.00 0.00 N ATOM 1310 CA VAL A 86 1.722 -5.023 -3.797 1.00 0.00 C ATOM 1311 C VAL A 86 2.629 -5.455 -4.945 1.00 0.00 C ATOM 1312 O VAL A 86 3.564 -4.771 -5.308 1.00 0.00 O ATOM 1313 CB VAL A 86 0.654 -4.072 -4.326 1.00 0.00 C ATOM 1314 CG1 VAL A 86 -0.224 -4.805 -5.328 1.00 0.00 C ATOM 1315 CG2 VAL A 86 -0.201 -3.566 -3.159 1.00 0.00 C ATOM 0 H VAL A 86 3.143 -3.593 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 86 1.269 -5.916 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 86 1.130 -3.223 -4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.988 -4.126 -5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.388 -5.161 -6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.703 -5.654 -4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.965 -2.886 -3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.680 -4.412 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.433 -3.040 -2.445 1.00 0.00 H new ATOM 1325 N THR A 87 2.352 -6.590 -5.528 1.00 0.00 N ATOM 1326 CA THR A 87 3.190 -7.065 -6.664 1.00 0.00 C ATOM 1327 C THR A 87 2.327 -7.907 -7.604 1.00 0.00 C ATOM 1328 O THR A 87 1.244 -8.327 -7.249 1.00 0.00 O ATOM 1329 CB THR A 87 4.352 -7.909 -6.135 1.00 0.00 C ATOM 1330 OG1 THR A 87 5.057 -8.481 -7.228 1.00 0.00 O ATOM 1331 CG2 THR A 87 3.807 -9.019 -5.239 1.00 0.00 C ATOM 0 H THR A 87 1.583 -7.207 -5.267 1.00 0.00 H new ATOM 0 HA THR A 87 3.593 -6.208 -7.204 1.00 0.00 H new ATOM 0 HB THR A 87 5.029 -7.278 -5.559 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.802 -9.020 -6.890 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.634 -9.621 -4.862 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.267 -8.578 -4.401 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.131 -9.652 -5.814 1.00 0.00 H new ATOM 1339 N ALA A 88 2.803 -8.157 -8.796 1.00 0.00 N ATOM 1340 CA ALA A 88 2.023 -8.980 -9.768 1.00 0.00 C ATOM 1341 C ALA A 88 2.787 -10.268 -10.056 1.00 0.00 C ATOM 1342 O ALA A 88 2.812 -10.754 -11.170 1.00 0.00 O ATOM 1343 CB ALA A 88 1.835 -8.194 -11.068 1.00 0.00 C ATOM 0 H ALA A 88 3.704 -7.824 -9.140 1.00 0.00 H new ATOM 0 HA ALA A 88 1.046 -9.219 -9.348 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.266 -8.795 -11.777 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.295 -7.270 -10.860 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.810 -7.957 -11.494 1.00 0.00 H new ATOM 1349 N GLU A 89 3.410 -10.827 -9.057 1.00 0.00 N ATOM 1350 CA GLU A 89 4.175 -12.084 -9.266 1.00 0.00 C ATOM 1351 C GLU A 89 4.503 -12.714 -7.911 1.00 0.00 C ATOM 1352 O GLU A 89 4.371 -13.907 -7.726 1.00 0.00 O ATOM 1353 CB GLU A 89 5.474 -11.771 -10.009 1.00 0.00 C ATOM 1354 CG GLU A 89 5.464 -12.466 -11.371 1.00 0.00 C ATOM 1355 CD GLU A 89 6.695 -12.037 -12.172 1.00 0.00 C ATOM 1356 OE1 GLU A 89 6.960 -10.847 -12.223 1.00 0.00 O ATOM 1357 OE2 GLU A 89 7.352 -12.906 -12.722 1.00 0.00 O ATOM 0 H GLU A 89 3.422 -10.466 -8.103 1.00 0.00 H new ATOM 0 HA GLU A 89 3.577 -12.780 -9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.580 -10.694 -10.139 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.330 -12.107 -9.424 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.462 -13.548 -11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.555 -12.209 -11.915 1.00 0.00 H new ATOM 1364 N ALA A 90 4.937 -11.919 -6.966 1.00 0.00 N ATOM 1365 CA ALA A 90 5.287 -12.469 -5.626 1.00 0.00 C ATOM 1366 C ALA A 90 6.119 -13.744 -5.818 1.00 0.00 C ATOM 1367 O ALA A 90 5.608 -14.847 -5.838 1.00 0.00 O ATOM 1368 CB ALA A 90 4.002 -12.767 -4.837 1.00 0.00 C ATOM 0 H ALA A 90 5.063 -10.912 -7.067 1.00 0.00 H new ATOM 0 HA ALA A 90 5.872 -11.744 -5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.261 -13.169 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.430 -11.847 -4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.402 -13.496 -5.381 1.00 0.00 H new ATOM 1374 N LYS A 91 7.403 -13.592 -5.988 1.00 0.00 N ATOM 1375 CA LYS A 91 8.276 -14.780 -6.205 1.00 0.00 C ATOM 1376 C LYS A 91 8.485 -15.518 -4.882 1.00 0.00 C ATOM 1377 O LYS A 91 9.384 -16.325 -4.750 1.00 0.00 O ATOM 1378 CB LYS A 91 9.628 -14.318 -6.752 1.00 0.00 C ATOM 1379 CG LYS A 91 10.315 -15.476 -7.483 1.00 0.00 C ATOM 1380 CD LYS A 91 10.057 -15.360 -8.990 1.00 0.00 C ATOM 1381 CE LYS A 91 10.829 -14.168 -9.567 1.00 0.00 C ATOM 1382 NZ LYS A 91 11.786 -14.651 -10.602 1.00 0.00 N ATOM 0 H LYS A 91 7.887 -12.694 -5.986 1.00 0.00 H new ATOM 0 HA LYS A 91 7.801 -15.454 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.488 -13.478 -7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.259 -13.965 -5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.387 -15.459 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.937 -16.429 -7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.363 -16.278 -9.491 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.990 -15.236 -9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.136 -13.449 -10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.366 -13.650 -8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.310 -13.843 -10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.454 -15.321 -10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.262 -15.126 -11.364 1.00 0.00 H new ATOM 1396 N LYS A 92 7.663 -15.248 -3.903 1.00 0.00 N ATOM 1397 CA LYS A 92 7.813 -15.931 -2.585 1.00 0.00 C ATOM 1398 C LYS A 92 8.999 -15.325 -1.835 1.00 0.00 C ATOM 1399 O LYS A 92 8.918 -15.033 -0.658 1.00 0.00 O ATOM 1400 CB LYS A 92 8.054 -17.427 -2.807 1.00 0.00 C ATOM 1401 CG LYS A 92 7.381 -18.227 -1.688 1.00 0.00 C ATOM 1402 CD LYS A 92 7.826 -19.689 -1.766 1.00 0.00 C ATOM 1403 CE LYS A 92 7.490 -20.251 -3.148 1.00 0.00 C ATOM 1404 NZ LYS A 92 7.334 -21.732 -3.058 1.00 0.00 N ATOM 0 H LYS A 92 6.892 -14.582 -3.960 1.00 0.00 H new ATOM 0 HA LYS A 92 6.904 -15.797 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.655 -17.730 -3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.124 -17.635 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 92 7.645 -17.807 -0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.297 -18.160 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.898 -19.764 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.328 -20.274 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.571 -19.800 -3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.280 -20.000 -3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.105 -22.115 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.222 -22.155 -2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.566 -21.961 -2.395 1.00 0.00 H new ATOM 1418 N GLU A 93 10.103 -15.134 -2.504 1.00 0.00 N ATOM 1419 CA GLU A 93 11.288 -14.550 -1.835 1.00 0.00 C ATOM 1420 C GLU A 93 11.067 -13.051 -1.616 1.00 0.00 C ATOM 1421 O GLU A 93 11.335 -12.523 -0.555 1.00 0.00 O ATOM 1422 CB GLU A 93 12.525 -14.764 -2.709 1.00 0.00 C ATOM 1423 CG GLU A 93 13.781 -14.403 -1.913 1.00 0.00 C ATOM 1424 CD GLU A 93 14.531 -15.682 -1.532 1.00 0.00 C ATOM 1425 OE1 GLU A 93 14.098 -16.345 -0.604 1.00 0.00 O ATOM 1426 OE2 GLU A 93 15.526 -15.974 -2.174 1.00 0.00 O ATOM 0 H GLU A 93 10.231 -15.360 -3.490 1.00 0.00 H new ATOM 0 HA GLU A 93 11.437 -15.037 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.576 -15.802 -3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.461 -14.148 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.426 -13.754 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.508 -13.848 -1.015 1.00 0.00 H new ATOM 1433 N ASN A 94 10.580 -12.358 -2.613 1.00 0.00 N ATOM 1434 CA ASN A 94 10.344 -10.893 -2.456 1.00 0.00 C ATOM 1435 C ASN A 94 9.112 -10.670 -1.580 1.00 0.00 C ATOM 1436 O ASN A 94 8.777 -9.554 -1.234 1.00 0.00 O ATOM 1437 CB ASN A 94 10.123 -10.255 -3.828 1.00 0.00 C ATOM 1438 CG ASN A 94 11.444 -9.680 -4.343 1.00 0.00 C ATOM 1439 OD1 ASN A 94 11.672 -8.489 -4.267 1.00 0.00 O ATOM 1440 ND2 ASN A 94 12.328 -10.482 -4.868 1.00 0.00 N ATOM 0 H ASN A 94 10.336 -12.742 -3.526 1.00 0.00 H new ATOM 0 HA ASN A 94 11.213 -10.434 -1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.740 -10.997 -4.528 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.374 -9.466 -3.758 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.212 -10.110 -5.215 1.00 0.00 H new ATOM 0 HD22 ASN A 94 12.136 -11.482 -4.931 1.00 0.00 H new ATOM 1447 N ILE A 95 8.437 -11.723 -1.209 1.00 0.00 N ATOM 1448 CA ILE A 95 7.235 -11.567 -0.343 1.00 0.00 C ATOM 1449 C ILE A 95 7.697 -11.391 1.100 1.00 0.00 C ATOM 1450 O ILE A 95 7.398 -10.406 1.745 1.00 0.00 O ATOM 1451 CB ILE A 95 6.358 -12.817 -0.456 1.00 0.00 C ATOM 1452 CG1 ILE A 95 5.424 -12.675 -1.658 1.00 0.00 C ATOM 1453 CG2 ILE A 95 5.524 -12.980 0.818 1.00 0.00 C ATOM 1454 CD1 ILE A 95 4.793 -14.031 -1.982 1.00 0.00 C ATOM 0 H ILE A 95 8.665 -12.683 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 95 6.656 -10.698 -0.657 1.00 0.00 H new ATOM 0 HB ILE A 95 6.994 -13.693 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.646 -11.943 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.979 -12.305 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.901 -13.871 0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.188 -13.081 1.677 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.889 -12.104 0.952 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.128 -13.927 -2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.577 -14.751 -2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.224 -14.382 -1.121 1.00 0.00 H new ATOM 1466 N ILE A 96 8.438 -12.336 1.610 1.00 0.00 N ATOM 1467 CA ILE A 96 8.933 -12.214 3.007 1.00 0.00 C ATOM 1468 C ILE A 96 9.960 -11.086 3.065 1.00 0.00 C ATOM 1469 O ILE A 96 10.538 -10.815 4.097 1.00 0.00 O ATOM 1470 CB ILE A 96 9.583 -13.529 3.442 1.00 0.00 C ATOM 1471 CG1 ILE A 96 8.533 -14.642 3.436 1.00 0.00 C ATOM 1472 CG2 ILE A 96 10.152 -13.373 4.854 1.00 0.00 C ATOM 1473 CD1 ILE A 96 9.229 -16.003 3.482 1.00 0.00 C ATOM 0 H ILE A 96 8.721 -13.185 1.120 1.00 0.00 H new ATOM 0 HA ILE A 96 8.102 -11.994 3.677 1.00 0.00 H new ATOM 0 HB ILE A 96 10.387 -13.784 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 96 7.868 -14.533 4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.915 -14.568 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 96 10.615 -14.309 5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 96 10.899 -12.579 4.860 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.348 -13.119 5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.480 -16.795 3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 96 9.876 -16.110 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.828 -16.075 4.390 1.00 0.00 H new ATOM 1485 N ALA A 97 10.185 -10.420 1.962 1.00 0.00 N ATOM 1486 CA ALA A 97 11.167 -9.299 1.950 1.00 0.00 C ATOM 1487 C ALA A 97 10.496 -8.050 2.513 1.00 0.00 C ATOM 1488 O ALA A 97 11.030 -7.377 3.372 1.00 0.00 O ATOM 1489 CB ALA A 97 11.635 -9.036 0.516 1.00 0.00 C ATOM 0 H ALA A 97 9.729 -10.606 1.068 1.00 0.00 H new ATOM 0 HA ALA A 97 12.032 -9.559 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.353 -8.216 0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.108 -9.934 0.117 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.778 -8.771 -0.104 1.00 0.00 H new ATOM 1495 N ALA A 98 9.315 -7.744 2.056 1.00 0.00 N ATOM 1496 CA ALA A 98 8.605 -6.554 2.597 1.00 0.00 C ATOM 1497 C ALA A 98 8.180 -6.877 4.017 1.00 0.00 C ATOM 1498 O ALA A 98 8.418 -6.128 4.943 1.00 0.00 O ATOM 1499 CB ALA A 98 7.349 -6.261 1.777 1.00 0.00 C ATOM 0 H ALA A 98 8.813 -8.263 1.335 1.00 0.00 H new ATOM 0 HA ALA A 98 9.265 -5.687 2.559 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.842 -5.387 2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 98 7.628 -6.066 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.680 -7.120 1.817 1.00 0.00 H new ATOM 1505 N ALA A 99 7.540 -7.997 4.186 1.00 0.00 N ATOM 1506 CA ALA A 99 7.083 -8.386 5.531 1.00 0.00 C ATOM 1507 C ALA A 99 8.294 -8.518 6.458 1.00 0.00 C ATOM 1508 O ALA A 99 8.183 -8.355 7.655 1.00 0.00 O ATOM 1509 CB ALA A 99 6.347 -9.720 5.459 1.00 0.00 C ATOM 0 H ALA A 99 7.316 -8.658 3.442 1.00 0.00 H new ATOM 0 HA ALA A 99 6.407 -7.624 5.919 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.011 -10.004 6.456 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.485 -9.625 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.019 -10.486 5.071 1.00 0.00 H new ATOM 1515 N GLN A 100 9.459 -8.797 5.921 1.00 0.00 N ATOM 1516 CA GLN A 100 10.652 -8.897 6.808 1.00 0.00 C ATOM 1517 C GLN A 100 10.690 -7.607 7.608 1.00 0.00 C ATOM 1518 O GLN A 100 11.056 -7.575 8.767 1.00 0.00 O ATOM 1519 CB GLN A 100 11.933 -9.031 5.979 1.00 0.00 C ATOM 1520 CG GLN A 100 12.603 -10.371 6.286 1.00 0.00 C ATOM 1521 CD GLN A 100 13.063 -10.389 7.744 1.00 0.00 C ATOM 1522 OE1 GLN A 100 13.082 -9.368 8.401 1.00 0.00 O ATOM 1523 NE2 GLN A 100 13.439 -11.517 8.284 1.00 0.00 N ATOM 0 H GLN A 100 9.630 -8.956 4.928 1.00 0.00 H new ATOM 0 HA GLN A 100 10.588 -9.774 7.453 1.00 0.00 H new ATOM 0 HB2 GLN A 100 11.699 -8.964 4.916 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.614 -8.211 6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.906 -11.189 6.103 1.00 0.00 H new ATOM 0 HG3 GLN A 100 13.454 -10.524 5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.424 -12.376 7.734 1.00 0.00 H new ATOM 0 HE22 GLN A 100 13.748 -11.539 9.256 1.00 0.00 H new ATOM 1532 N ALA A 101 10.251 -6.549 6.988 1.00 0.00 N ATOM 1533 CA ALA A 101 10.181 -5.242 7.685 1.00 0.00 C ATOM 1534 C ALA A 101 8.832 -5.220 8.394 1.00 0.00 C ATOM 1535 O ALA A 101 8.629 -4.546 9.384 1.00 0.00 O ATOM 1536 CB ALA A 101 10.259 -4.105 6.665 1.00 0.00 C ATOM 0 H ALA A 101 9.935 -6.537 6.018 1.00 0.00 H new ATOM 0 HA ALA A 101 11.004 -5.113 8.388 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.207 -3.147 7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.199 -4.171 6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.426 -4.185 5.966 1.00 0.00 H new ATOM 1542 N GLY A 102 7.921 -6.011 7.889 1.00 0.00 N ATOM 1543 CA GLY A 102 6.579 -6.133 8.500 1.00 0.00 C ATOM 1544 C GLY A 102 5.773 -4.860 8.332 1.00 0.00 C ATOM 1545 O GLY A 102 5.599 -4.116 9.277 1.00 0.00 O ATOM 0 H GLY A 102 8.062 -6.588 7.059 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.045 -6.966 8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.681 -6.363 9.561 1.00 0.00 H new ATOM 1549 N ALA A 103 5.249 -4.586 7.163 1.00 0.00 N ATOM 1550 CA ALA A 103 4.453 -3.340 7.061 1.00 0.00 C ATOM 1551 C ALA A 103 2.996 -3.637 7.386 1.00 0.00 C ATOM 1552 O ALA A 103 2.647 -4.030 8.481 1.00 0.00 O ATOM 1553 CB ALA A 103 4.499 -2.889 5.606 1.00 0.00 C ATOM 0 H ALA A 103 5.335 -5.146 6.315 1.00 0.00 H new ATOM 0 HA ALA A 103 4.849 -2.588 7.744 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.922 -1.971 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.533 -2.706 5.314 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.075 -3.666 4.971 1.00 0.00 H new ATOM 1559 N SER A 104 2.167 -3.532 6.399 1.00 0.00 N ATOM 1560 CA SER A 104 0.732 -3.893 6.569 1.00 0.00 C ATOM 1561 C SER A 104 0.565 -5.354 6.185 1.00 0.00 C ATOM 1562 O SER A 104 -0.049 -6.147 6.871 1.00 0.00 O ATOM 1563 CB SER A 104 -0.169 -3.007 5.711 1.00 0.00 C ATOM 1564 OG SER A 104 -0.051 -1.661 6.142 1.00 0.00 O ATOM 0 H SER A 104 2.420 -3.207 5.466 1.00 0.00 H new ATOM 0 HA SER A 104 0.437 -3.738 7.607 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.113 -3.091 4.661 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.205 -3.337 5.791 1.00 0.00 H new ATOM 0 HG SER A 104 -0.483 -1.070 5.491 1.00 0.00 H new ATOM 1570 N GLY A 105 1.107 -5.682 5.038 1.00 0.00 N ATOM 1571 CA GLY A 105 1.008 -7.066 4.496 1.00 0.00 C ATOM 1572 C GLY A 105 1.448 -7.072 3.024 1.00 0.00 C ATOM 1573 O GLY A 105 2.125 -6.167 2.561 1.00 0.00 O ATOM 0 H GLY A 105 1.624 -5.033 4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.636 -7.741 5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.016 -7.429 4.582 1.00 0.00 H new ATOM 1577 N TYR A 106 1.050 -8.078 2.285 1.00 0.00 N ATOM 1578 CA TYR A 106 1.414 -8.147 0.838 1.00 0.00 C ATOM 1579 C TYR A 106 0.261 -8.778 0.064 1.00 0.00 C ATOM 1580 O TYR A 106 -0.321 -9.755 0.492 1.00 0.00 O ATOM 1581 CB TYR A 106 2.662 -9.010 0.630 1.00 0.00 C ATOM 1582 CG TYR A 106 2.364 -10.094 -0.393 1.00 0.00 C ATOM 1583 CD1 TYR A 106 2.290 -9.793 -1.767 1.00 0.00 C ATOM 1584 CD2 TYR A 106 2.168 -11.413 0.036 1.00 0.00 C ATOM 1585 CE1 TYR A 106 2.021 -10.813 -2.690 1.00 0.00 C ATOM 1586 CE2 TYR A 106 1.902 -12.425 -0.889 1.00 0.00 C ATOM 1587 CZ TYR A 106 1.829 -12.127 -2.249 1.00 0.00 C ATOM 1588 OH TYR A 106 1.570 -13.132 -3.157 1.00 0.00 O ATOM 0 H TYR A 106 0.486 -8.857 2.624 1.00 0.00 H new ATOM 0 HA TYR A 106 1.615 -7.136 0.484 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.492 -8.391 0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.967 -9.460 1.574 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.440 -8.779 -2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 106 2.223 -11.649 1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.962 -10.584 -3.744 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.753 -13.440 -0.550 1.00 0.00 H new ATOM 0 HH TYR A 106 1.464 -13.983 -2.682 1.00 0.00 H new ATOM 1598 N VAL A 107 -0.056 -8.236 -1.077 1.00 0.00 N ATOM 1599 CA VAL A 107 -1.154 -8.806 -1.905 1.00 0.00 C ATOM 1600 C VAL A 107 -0.644 -8.944 -3.336 1.00 0.00 C ATOM 1601 O VAL A 107 -0.013 -8.052 -3.866 1.00 0.00 O ATOM 1602 CB VAL A 107 -2.366 -7.872 -1.880 1.00 0.00 C ATOM 1603 CG1 VAL A 107 -2.013 -6.555 -2.571 1.00 0.00 C ATOM 1604 CG2 VAL A 107 -3.531 -8.538 -2.619 1.00 0.00 C ATOM 0 H VAL A 107 0.402 -7.416 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 107 -1.455 -9.777 -1.512 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.651 -7.673 -0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.877 -5.891 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.181 -6.082 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.729 -6.751 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.397 -7.876 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.242 -8.734 -3.652 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.784 -9.478 -2.128 1.00 0.00 H new ATOM 1614 N VAL A 108 -0.895 -10.055 -3.965 1.00 0.00 N ATOM 1615 CA VAL A 108 -0.400 -10.225 -5.353 1.00 0.00 C ATOM 1616 C VAL A 108 -1.451 -9.698 -6.343 1.00 0.00 C ATOM 1617 O VAL A 108 -2.379 -10.397 -6.701 1.00 0.00 O ATOM 1618 CB VAL A 108 -0.144 -11.705 -5.637 1.00 0.00 C ATOM 1619 CG1 VAL A 108 -1.419 -12.511 -5.374 1.00 0.00 C ATOM 1620 CG2 VAL A 108 0.271 -11.874 -7.099 1.00 0.00 C ATOM 0 H VAL A 108 -1.416 -10.844 -3.582 1.00 0.00 H new ATOM 0 HA VAL A 108 0.529 -9.667 -5.469 1.00 0.00 H new ATOM 0 HB VAL A 108 0.651 -12.066 -4.984 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.232 -13.565 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.717 -12.390 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.217 -12.152 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.455 -12.928 -7.306 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.526 -11.510 -7.748 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.181 -11.304 -7.287 1.00 0.00 H new ATOM 1630 N LYS A 109 -1.314 -8.480 -6.794 1.00 0.00 N ATOM 1631 CA LYS A 109 -2.309 -7.923 -7.763 1.00 0.00 C ATOM 1632 C LYS A 109 -2.291 -8.789 -9.036 1.00 0.00 C ATOM 1633 O LYS A 109 -1.285 -9.410 -9.317 1.00 0.00 O ATOM 1634 CB LYS A 109 -1.905 -6.474 -8.090 1.00 0.00 C ATOM 1635 CG LYS A 109 -0.824 -6.454 -9.183 1.00 0.00 C ATOM 1636 CD LYS A 109 -1.447 -6.521 -10.588 1.00 0.00 C ATOM 1637 CE LYS A 109 -1.152 -5.219 -11.337 1.00 0.00 C ATOM 1638 NZ LYS A 109 -1.911 -5.196 -12.619 1.00 0.00 N ATOM 0 H LYS A 109 -0.558 -7.846 -6.535 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.315 -7.930 -7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.778 -5.912 -8.422 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.532 -5.982 -7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.227 -5.546 -9.091 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.147 -7.296 -9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.041 -7.370 -11.138 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -2.524 -6.675 -10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.431 -4.363 -10.722 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.083 -5.135 -11.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -1.709 -4.311 -13.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.624 -6.005 -13.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.930 -5.256 -12.420 1.00 0.00 H new ATOM 1652 N PRO A 110 -3.372 -8.807 -9.799 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.635 -8.075 -9.518 1.00 0.00 C ATOM 1654 C PRO A 110 -5.429 -8.746 -8.392 1.00 0.00 C ATOM 1655 O PRO A 110 -5.325 -9.936 -8.170 1.00 0.00 O ATOM 1656 CB PRO A 110 -5.445 -8.194 -10.819 1.00 0.00 C ATOM 1657 CG PRO A 110 -4.615 -9.038 -11.816 1.00 0.00 C ATOM 1658 CD PRO A 110 -3.382 -9.558 -11.065 1.00 0.00 C ATOM 0 HA PRO A 110 -4.436 -7.048 -9.212 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.408 -8.667 -10.628 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.651 -7.207 -11.233 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.207 -9.868 -12.202 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.316 -8.435 -12.673 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.449 -10.631 -10.888 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.469 -9.386 -11.635 1.00 0.00 H new ATOM 1666 N PHE A 111 -6.244 -7.987 -7.704 1.00 0.00 N ATOM 1667 CA PHE A 111 -7.080 -8.568 -6.614 1.00 0.00 C ATOM 1668 C PHE A 111 -8.495 -8.027 -6.734 1.00 0.00 C ATOM 1669 O PHE A 111 -8.728 -6.963 -7.272 1.00 0.00 O ATOM 1670 CB PHE A 111 -6.540 -8.181 -5.227 1.00 0.00 C ATOM 1671 CG PHE A 111 -6.076 -6.744 -5.231 1.00 0.00 C ATOM 1672 CD1 PHE A 111 -7.010 -5.698 -5.299 1.00 0.00 C ATOM 1673 CD2 PHE A 111 -4.710 -6.455 -5.197 1.00 0.00 C ATOM 1674 CE1 PHE A 111 -6.568 -4.373 -5.341 1.00 0.00 C ATOM 1675 CE2 PHE A 111 -4.273 -5.129 -5.228 1.00 0.00 C ATOM 1676 CZ PHE A 111 -5.200 -4.088 -5.306 1.00 0.00 C ATOM 0 H PHE A 111 -6.366 -6.985 -7.852 1.00 0.00 H new ATOM 0 HA PHE A 111 -7.059 -9.653 -6.714 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.317 -8.318 -4.475 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -5.713 -8.837 -4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.067 -5.917 -5.319 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.990 -7.259 -5.147 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.285 -3.567 -5.401 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -3.216 -4.908 -5.192 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.860 -3.063 -5.339 1.00 0.00 H new ATOM 1686 N THR A 112 -9.433 -8.739 -6.206 1.00 0.00 N ATOM 1687 CA THR A 112 -10.835 -8.257 -6.241 1.00 0.00 C ATOM 1688 C THR A 112 -11.068 -7.459 -4.962 1.00 0.00 C ATOM 1689 O THR A 112 -10.455 -7.720 -3.949 1.00 0.00 O ATOM 1690 CB THR A 112 -11.799 -9.444 -6.290 1.00 0.00 C ATOM 1691 OG1 THR A 112 -11.162 -10.546 -6.921 1.00 0.00 O ATOM 1692 CG2 THR A 112 -13.049 -9.050 -7.077 1.00 0.00 C ATOM 0 H THR A 112 -9.294 -9.640 -5.748 1.00 0.00 H new ATOM 0 HA THR A 112 -11.008 -7.642 -7.124 1.00 0.00 H new ATOM 0 HB THR A 112 -12.084 -9.726 -5.276 1.00 0.00 H new ATOM 0 HG1 THR A 112 -11.779 -11.307 -6.951 1.00 0.00 H new ATOM 0 HG21 THR A 112 -13.737 -9.894 -7.113 1.00 0.00 H new ATOM 0 HG22 THR A 112 -13.536 -8.206 -6.588 1.00 0.00 H new ATOM 0 HG23 THR A 112 -12.767 -8.768 -8.091 1.00 0.00 H new ATOM 1700 N ALA A 113 -11.924 -6.482 -4.987 1.00 0.00 N ATOM 1701 CA ALA A 113 -12.150 -5.689 -3.750 1.00 0.00 C ATOM 1702 C ALA A 113 -12.404 -6.643 -2.589 1.00 0.00 C ATOM 1703 O ALA A 113 -11.995 -6.395 -1.473 1.00 0.00 O ATOM 1704 CB ALA A 113 -13.356 -4.766 -3.937 1.00 0.00 C ATOM 0 H ALA A 113 -12.472 -6.199 -5.799 1.00 0.00 H new ATOM 0 HA ALA A 113 -11.271 -5.080 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -13.516 -4.188 -3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -13.170 -4.088 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.243 -5.364 -4.148 1.00 0.00 H new ATOM 1710 N ALA A 114 -13.055 -7.741 -2.840 1.00 0.00 N ATOM 1711 CA ALA A 114 -13.300 -8.704 -1.740 1.00 0.00 C ATOM 1712 C ALA A 114 -11.972 -9.353 -1.372 1.00 0.00 C ATOM 1713 O ALA A 114 -11.745 -9.735 -0.242 1.00 0.00 O ATOM 1714 CB ALA A 114 -14.297 -9.774 -2.191 1.00 0.00 C ATOM 0 H ALA A 114 -13.425 -8.010 -3.752 1.00 0.00 H new ATOM 0 HA ALA A 114 -13.719 -8.187 -0.876 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.470 -10.477 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -15.239 -9.300 -2.468 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.893 -10.308 -3.051 1.00 0.00 H new ATOM 1720 N THR A 115 -11.082 -9.460 -2.318 1.00 0.00 N ATOM 1721 CA THR A 115 -9.760 -10.061 -2.017 1.00 0.00 C ATOM 1722 C THR A 115 -8.924 -9.031 -1.255 1.00 0.00 C ATOM 1723 O THR A 115 -8.608 -9.237 -0.100 1.00 0.00 O ATOM 1724 CB THR A 115 -9.063 -10.462 -3.314 1.00 0.00 C ATOM 1725 OG1 THR A 115 -9.720 -11.591 -3.875 1.00 0.00 O ATOM 1726 CG2 THR A 115 -7.602 -10.813 -3.026 1.00 0.00 C ATOM 0 H THR A 115 -11.215 -9.157 -3.283 1.00 0.00 H new ATOM 0 HA THR A 115 -9.883 -10.957 -1.408 1.00 0.00 H new ATOM 0 HB THR A 115 -9.102 -9.630 -4.017 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.274 -11.848 -4.709 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.107 -11.099 -3.954 1.00 0.00 H new ATOM 0 HG22 THR A 115 -7.097 -9.947 -2.597 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.559 -11.643 -2.321 1.00 0.00 H new ATOM 1734 N LEU A 116 -8.563 -7.914 -1.862 1.00 0.00 N ATOM 1735 CA LEU A 116 -7.768 -6.920 -1.092 1.00 0.00 C ATOM 1736 C LEU A 116 -8.472 -6.675 0.251 1.00 0.00 C ATOM 1737 O LEU A 116 -7.837 -6.501 1.272 1.00 0.00 O ATOM 1738 CB LEU A 116 -7.679 -5.588 -1.860 1.00 0.00 C ATOM 1739 CG LEU A 116 -6.224 -5.081 -1.983 1.00 0.00 C ATOM 1740 CD1 LEU A 116 -6.247 -3.597 -2.344 1.00 0.00 C ATOM 1741 CD2 LEU A 116 -5.460 -5.224 -0.663 1.00 0.00 C ATOM 0 H LEU A 116 -8.781 -7.663 -2.826 1.00 0.00 H new ATOM 0 HA LEU A 116 -6.760 -7.304 -0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -8.103 -5.716 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.282 -4.836 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.727 -5.678 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.225 -3.228 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -6.766 -3.461 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -6.766 -3.041 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.442 -4.857 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -5.961 -4.644 0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.433 -6.274 -0.370 1.00 0.00 H new ATOM 1753 N GLU A 117 -9.787 -6.664 0.261 1.00 0.00 N ATOM 1754 CA GLU A 117 -10.514 -6.433 1.536 1.00 0.00 C ATOM 1755 C GLU A 117 -10.269 -7.604 2.482 1.00 0.00 C ATOM 1756 O GLU A 117 -9.859 -7.430 3.613 1.00 0.00 O ATOM 1757 CB GLU A 117 -12.012 -6.312 1.261 1.00 0.00 C ATOM 1758 CG GLU A 117 -12.770 -6.198 2.586 1.00 0.00 C ATOM 1759 CD GLU A 117 -13.402 -7.549 2.930 1.00 0.00 C ATOM 1760 OE1 GLU A 117 -14.465 -7.835 2.404 1.00 0.00 O ATOM 1761 OE2 GLU A 117 -12.812 -8.274 3.714 1.00 0.00 O ATOM 0 H GLU A 117 -10.378 -6.805 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 117 -10.153 -5.511 1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -12.209 -5.437 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.361 -7.182 0.704 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -12.091 -5.889 3.381 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -13.542 -5.432 2.511 1.00 0.00 H new ATOM 1768 N GLU A 118 -10.518 -8.798 2.024 1.00 0.00 N ATOM 1769 CA GLU A 118 -10.301 -9.992 2.886 1.00 0.00 C ATOM 1770 C GLU A 118 -8.938 -9.875 3.566 1.00 0.00 C ATOM 1771 O GLU A 118 -8.706 -10.434 4.619 1.00 0.00 O ATOM 1772 CB GLU A 118 -10.338 -11.257 2.027 1.00 0.00 C ATOM 1773 CG GLU A 118 -11.714 -11.915 2.142 1.00 0.00 C ATOM 1774 CD GLU A 118 -11.825 -12.643 3.482 1.00 0.00 C ATOM 1775 OE1 GLU A 118 -12.165 -11.996 4.459 1.00 0.00 O ATOM 1776 OE2 GLU A 118 -11.567 -13.835 3.510 1.00 0.00 O ATOM 0 H GLU A 118 -10.864 -8.999 1.086 1.00 0.00 H new ATOM 0 HA GLU A 118 -11.085 -10.048 3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.128 -11.009 0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -9.563 -11.952 2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -12.497 -11.161 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.862 -12.618 1.322 1.00 0.00 H new ATOM 1783 N LYS A 119 -8.034 -9.144 2.973 1.00 0.00 N ATOM 1784 CA LYS A 119 -6.689 -8.983 3.587 1.00 0.00 C ATOM 1785 C LYS A 119 -6.714 -7.789 4.542 1.00 0.00 C ATOM 1786 O LYS A 119 -6.301 -7.884 5.682 1.00 0.00 O ATOM 1787 CB LYS A 119 -5.647 -8.742 2.494 1.00 0.00 C ATOM 1788 CG LYS A 119 -5.015 -10.077 2.093 1.00 0.00 C ATOM 1789 CD LYS A 119 -4.175 -9.888 0.830 1.00 0.00 C ATOM 1790 CE LYS A 119 -3.718 -11.253 0.312 1.00 0.00 C ATOM 1791 NZ LYS A 119 -4.909 -12.115 0.067 1.00 0.00 N ATOM 0 H LYS A 119 -8.170 -8.652 2.090 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.428 -9.888 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.114 -8.273 1.628 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.879 -8.056 2.853 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -4.391 -10.454 2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.792 -10.821 1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.758 -9.374 0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.310 -9.261 1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.147 -11.132 -0.609 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.056 -11.726 1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.692 -12.802 -0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.156 -12.622 0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.711 -11.523 -0.228 1.00 0.00 H new ATOM 1805 N LEU A 120 -7.202 -6.665 4.090 1.00 0.00 N ATOM 1806 CA LEU A 120 -7.255 -5.473 4.982 1.00 0.00 C ATOM 1807 C LEU A 120 -7.868 -5.884 6.323 1.00 0.00 C ATOM 1808 O LEU A 120 -7.259 -5.737 7.361 1.00 0.00 O ATOM 1809 CB LEU A 120 -8.136 -4.373 4.356 1.00 0.00 C ATOM 1810 CG LEU A 120 -7.475 -3.694 3.138 1.00 0.00 C ATOM 1811 CD1 LEU A 120 -8.275 -2.436 2.796 1.00 0.00 C ATOM 1812 CD2 LEU A 120 -6.034 -3.267 3.435 1.00 0.00 C ATOM 0 H LEU A 120 -7.564 -6.522 3.147 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.244 -5.089 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -9.088 -4.807 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -8.357 -3.618 5.111 1.00 0.00 H new ATOM 0 HG LEU A 120 -7.463 -4.410 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.824 -1.940 1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -9.302 -2.712 2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.270 -1.758 3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.605 -2.793 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.028 -2.560 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -5.442 -4.143 3.700 1.00 0.00 H new ATOM 1824 N ASN A 121 -9.073 -6.386 6.308 1.00 0.00 N ATOM 1825 CA ASN A 121 -9.737 -6.795 7.581 1.00 0.00 C ATOM 1826 C ASN A 121 -8.754 -7.562 8.468 1.00 0.00 C ATOM 1827 O ASN A 121 -8.450 -7.155 9.572 1.00 0.00 O ATOM 1828 CB ASN A 121 -10.938 -7.689 7.265 1.00 0.00 C ATOM 1829 CG ASN A 121 -12.191 -7.113 7.927 1.00 0.00 C ATOM 1830 OD1 ASN A 121 -12.821 -7.769 8.732 1.00 0.00 O ATOM 1831 ND2 ASN A 121 -12.582 -5.908 7.618 1.00 0.00 N ATOM 0 H ASN A 121 -9.629 -6.531 5.466 1.00 0.00 H new ATOM 0 HA ASN A 121 -10.070 -5.901 8.109 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -11.082 -7.756 6.187 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -10.756 -8.701 7.625 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -13.417 -5.516 8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -12.052 -5.358 6.942 1.00 0.00 H new ATOM 1838 N LYS A 122 -8.268 -8.674 7.998 1.00 0.00 N ATOM 1839 CA LYS A 122 -7.313 -9.481 8.813 1.00 0.00 C ATOM 1840 C LYS A 122 -6.252 -8.570 9.435 1.00 0.00 C ATOM 1841 O LYS A 122 -5.723 -8.852 10.491 1.00 0.00 O ATOM 1842 CB LYS A 122 -6.633 -10.520 7.920 1.00 0.00 C ATOM 1843 CG LYS A 122 -6.043 -11.635 8.789 1.00 0.00 C ATOM 1844 CD LYS A 122 -5.226 -12.588 7.914 1.00 0.00 C ATOM 1845 CE LYS A 122 -4.818 -13.813 8.734 1.00 0.00 C ATOM 1846 NZ LYS A 122 -4.887 -13.484 10.185 1.00 0.00 N ATOM 0 H LYS A 122 -8.490 -9.063 7.081 1.00 0.00 H new ATOM 0 HA LYS A 122 -7.861 -9.984 9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -7.353 -10.936 7.216 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.846 -10.049 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -5.411 -11.208 9.567 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -6.842 -12.180 9.291 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.812 -12.896 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -4.340 -12.080 7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.477 -14.651 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -3.807 -14.122 8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -4.514 -14.281 10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -4.320 -12.633 10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -5.876 -13.308 10.454 1.00 0.00 H new ATOM 1860 N ILE A 123 -5.927 -7.483 8.789 1.00 0.00 N ATOM 1861 CA ILE A 123 -4.891 -6.569 9.353 1.00 0.00 C ATOM 1862 C ILE A 123 -5.539 -5.554 10.298 1.00 0.00 C ATOM 1863 O ILE A 123 -5.028 -5.273 11.363 1.00 0.00 O ATOM 1864 CB ILE A 123 -4.194 -5.824 8.211 1.00 0.00 C ATOM 1865 CG1 ILE A 123 -3.049 -6.684 7.672 1.00 0.00 C ATOM 1866 CG2 ILE A 123 -3.631 -4.492 8.724 1.00 0.00 C ATOM 1867 CD1 ILE A 123 -2.812 -6.357 6.196 1.00 0.00 C ATOM 0 H ILE A 123 -6.331 -7.189 7.900 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.163 -7.159 9.909 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.914 -5.627 7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.141 -6.500 8.246 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.290 -7.741 7.787 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.136 -3.967 7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.444 -3.878 9.110 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.912 -4.684 9.520 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.996 -6.971 5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -3.719 -6.564 5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.552 -5.303 6.094 1.00 0.00 H new ATOM 1879 N PHE A 124 -6.648 -4.988 9.912 1.00 0.00 N ATOM 1880 CA PHE A 124 -7.307 -3.977 10.780 1.00 0.00 C ATOM 1881 C PHE A 124 -7.720 -4.600 12.111 1.00 0.00 C ATOM 1882 O PHE A 124 -8.335 -3.960 12.940 1.00 0.00 O ATOM 1883 CB PHE A 124 -8.518 -3.403 10.053 1.00 0.00 C ATOM 1884 CG PHE A 124 -8.037 -2.301 9.143 1.00 0.00 C ATOM 1885 CD1 PHE A 124 -7.723 -1.041 9.666 1.00 0.00 C ATOM 1886 CD2 PHE A 124 -7.883 -2.548 7.781 1.00 0.00 C ATOM 1887 CE1 PHE A 124 -7.255 -0.029 8.819 1.00 0.00 C ATOM 1888 CE2 PHE A 124 -7.419 -1.537 6.934 1.00 0.00 C ATOM 1889 CZ PHE A 124 -7.105 -0.282 7.449 1.00 0.00 C ATOM 0 H PHE A 124 -7.126 -5.183 9.032 1.00 0.00 H new ATOM 0 HA PHE A 124 -6.604 -3.172 10.994 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -9.020 -4.180 9.477 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -9.244 -3.017 10.768 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -7.842 -0.850 10.722 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.122 -3.521 7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -7.010 0.943 9.220 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -7.304 -1.730 5.878 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.746 0.497 6.792 1.00 0.00 H new ATOM 1899 N GLU A 125 -7.363 -5.833 12.342 1.00 0.00 N ATOM 1900 CA GLU A 125 -7.713 -6.463 13.642 1.00 0.00 C ATOM 1901 C GLU A 125 -6.736 -5.948 14.693 1.00 0.00 C ATOM 1902 O GLU A 125 -7.096 -5.703 15.827 1.00 0.00 O ATOM 1903 CB GLU A 125 -7.602 -7.985 13.526 1.00 0.00 C ATOM 1904 CG GLU A 125 -8.708 -8.644 14.352 1.00 0.00 C ATOM 1905 CD GLU A 125 -8.386 -10.127 14.544 1.00 0.00 C ATOM 1906 OE1 GLU A 125 -7.254 -10.426 14.887 1.00 0.00 O ATOM 1907 OE2 GLU A 125 -9.275 -10.937 14.343 1.00 0.00 O ATOM 0 H GLU A 125 -6.848 -6.426 11.691 1.00 0.00 H new ATOM 0 HA GLU A 125 -8.736 -6.212 13.923 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -7.685 -8.287 12.482 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -6.625 -8.316 13.878 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.796 -8.152 15.320 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -9.668 -8.532 13.849 1.00 0.00 H new ATOM 1914 N LYS A 126 -5.502 -5.753 14.313 1.00 0.00 N ATOM 1915 CA LYS A 126 -4.504 -5.221 15.276 1.00 0.00 C ATOM 1916 C LYS A 126 -4.677 -3.706 15.346 1.00 0.00 C ATOM 1917 O LYS A 126 -4.535 -3.098 16.389 1.00 0.00 O ATOM 1918 CB LYS A 126 -3.090 -5.559 14.801 1.00 0.00 C ATOM 1919 CG LYS A 126 -2.264 -6.068 15.984 1.00 0.00 C ATOM 1920 CD LYS A 126 -0.818 -6.299 15.538 1.00 0.00 C ATOM 1921 CE LYS A 126 0.079 -6.447 16.769 1.00 0.00 C ATOM 1922 NZ LYS A 126 1.131 -7.466 16.497 1.00 0.00 N ATOM 0 H LYS A 126 -5.145 -5.940 13.376 1.00 0.00 H new ATOM 0 HA LYS A 126 -4.654 -5.666 16.260 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.129 -6.316 14.018 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -2.619 -4.676 14.368 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.293 -5.345 16.799 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -2.690 -6.996 16.366 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -0.756 -7.195 14.920 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -0.478 -5.464 14.925 1.00 0.00 H new ATOM 0 HE2 LYS A 126 0.539 -5.490 17.014 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -0.516 -6.745 17.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 1.741 -7.567 17.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 0.682 -8.380 16.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 1.705 -7.164 15.684 1.00 0.00 H new ATOM 1936 N LEU A 127 -5.002 -3.093 14.238 1.00 0.00 N ATOM 1937 CA LEU A 127 -5.209 -1.619 14.235 1.00 0.00 C ATOM 1938 C LEU A 127 -6.334 -1.296 15.222 1.00 0.00 C ATOM 1939 O LEU A 127 -6.330 -0.271 15.874 1.00 0.00 O ATOM 1940 CB LEU A 127 -5.591 -1.158 12.815 1.00 0.00 C ATOM 1941 CG LEU A 127 -5.101 0.276 12.559 1.00 0.00 C ATOM 1942 CD1 LEU A 127 -5.615 1.208 13.656 1.00 0.00 C ATOM 1943 CD2 LEU A 127 -3.566 0.317 12.537 1.00 0.00 C ATOM 0 H LEU A 127 -5.133 -3.551 13.336 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.298 -1.100 14.532 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.155 -1.833 12.079 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.673 -1.206 12.691 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.483 0.605 11.593 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -5.263 2.222 13.466 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -6.705 1.197 13.661 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.244 0.870 14.624 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.232 1.338 12.355 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -3.179 -0.026 13.497 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -3.196 -0.333 11.744 1.00 0.00 H new ATOM 1955 N GLY A 128 -7.291 -2.178 15.355 1.00 0.00 N ATOM 1956 CA GLY A 128 -8.406 -1.928 16.314 1.00 0.00 C ATOM 1957 C GLY A 128 -9.382 -0.914 15.720 1.00 0.00 C ATOM 1958 O GLY A 128 -9.411 0.237 16.108 1.00 0.00 O ATOM 0 H GLY A 128 -7.348 -3.058 14.842 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -8.925 -2.861 16.533 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -8.009 -1.555 17.258 1.00 0.00 H new ATOM 1962 N MET A 129 -10.184 -1.333 14.782 1.00 0.00 N ATOM 1963 CA MET A 129 -11.160 -0.397 14.162 1.00 0.00 C ATOM 1964 C MET A 129 -12.499 -0.498 14.896 1.00 0.00 C ATOM 1965 O MET A 129 -12.553 -1.192 15.897 1.00 0.00 O ATOM 1966 CB MET A 129 -11.359 -0.758 12.687 1.00 0.00 C ATOM 1967 CG MET A 129 -11.237 -2.273 12.495 1.00 0.00 C ATOM 1968 SD MET A 129 -12.465 -3.117 13.524 1.00 0.00 S ATOM 1969 CE MET A 129 -12.735 -4.537 12.436 1.00 0.00 C ATOM 1970 OXT MET A 129 -13.448 0.119 14.442 1.00 0.00 O ATOM 0 H MET A 129 -10.205 -2.285 14.418 1.00 0.00 H new ATOM 0 HA MET A 129 -10.778 0.621 14.235 1.00 0.00 H new ATOM 0 HB2 MET A 129 -12.339 -0.419 12.350 1.00 0.00 H new ATOM 0 HB3 MET A 129 -10.617 -0.245 12.076 1.00 0.00 H new ATOM 0 HG2 MET A 129 -11.388 -2.530 11.447 1.00 0.00 H new ATOM 0 HG3 MET A 129 -10.234 -2.604 12.763 1.00 0.00 H new ATOM 0 HE1 MET A 129 -13.472 -5.203 12.884 1.00 0.00 H new ATOM 0 HE2 MET A 129 -13.099 -4.190 11.469 1.00 0.00 H new ATOM 0 HE3 MET A 129 -11.796 -5.074 12.299 1.00 0.00 H new TER 1980 MET A 129