USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 681 hydrogens (55 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 65 SER OG : rot 121:sc= 0.00056 USER MOD Set 1.2: A 69 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.4) USER MOD Set 2.1: A 16 LYS NZ :NH3+ -159:sc= -7.83! (180deg=-3.55!) USER MOD Set 2.2: A 47 ASN : amide:sc= -6.6! C(o=-14!,f=-20!) USER MOD Single : A 1 ALA N :NH3+ 167:sc= 1.31 (180deg=1.16) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= -0.0157 (180deg=-0.317) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 151:sc= 0.746 USER MOD Single : A 8 LYS NZ :NH3+ 164:sc= -0.33 (180deg=-0.554) USER MOD Single : A 10 SER OG : rot 86:sc= 0.258 USER MOD Single : A 14 LYS NZ :NH3+ -111:sc= -2.08! (180deg=-2.47!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.561 USER MOD Single : A 29 SER OG : rot -39:sc= 0.192 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00214 USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= -0.267 (180deg=-0.621) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 46 MET CE :methyl -159:sc= -0.282 (180deg=-1.33) USER MOD Single : A 55 ASN :FLIP amide:sc= -1.43! C(o=-6.5!,f=-1.4!) USER MOD Single : A 60 LYS NZ :NH3+ -143:sc= -0.147 (180deg=-1.97!) USER MOD Single : A 62 GLN : amide:sc= -0.588 K(o=-0.59,f=-2.8!) USER MOD Single : A 66 THR OG1 : rot -110:sc= -0.255 USER MOD Single : A 68 GLN :FLIP amide:sc= -1.28 F(o=-5.9!,f=-1.3) USER MOD Single : A 80 LYS NZ :NH3+ -152:sc= -0.289 (180deg=-1.15!) USER MOD Single : A 81 LYS NZ :NH3+ -140:sc= -0.0437 (180deg=-0.462) USER MOD Single : A 101 PNS O33 : rot -57:sc= 0.991 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.974 -3.125 6.950 1.00 1.00 N ATOM 2 CA ALA A 1 -10.712 -3.296 5.493 1.00 1.00 C ATOM 3 C ALA A 1 -10.927 -4.758 5.108 1.00 1.00 C ATOM 4 O ALA A 1 -10.832 -5.651 5.949 1.00 1.00 O ATOM 5 CB ALA A 1 -9.273 -2.875 5.180 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.621 -2.197 7.260 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.997 -3.184 7.128 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.487 -3.875 7.481 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.397 -2.671 4.920 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.081 -3.000 4.114 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -9.132 -1.829 5.454 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -8.580 -3.496 5.749 1.00 1.00 H new ATOM 13 N LYS A 2 -11.209 -4.997 3.830 1.00 1.00 N ATOM 14 CA LYS A 2 -11.428 -6.357 3.349 1.00 1.00 C ATOM 15 C LYS A 2 -10.096 -7.083 3.209 1.00 1.00 C ATOM 16 O LYS A 2 -9.075 -6.469 2.911 1.00 1.00 O ATOM 17 CB LYS A 2 -12.144 -6.334 1.998 1.00 1.00 C ATOM 18 CG LYS A 2 -13.543 -5.743 2.169 1.00 1.00 C ATOM 19 CD LYS A 2 -14.249 -5.709 0.813 1.00 1.00 C ATOM 20 CE LYS A 2 -15.616 -5.040 0.968 1.00 1.00 C ATOM 21 NZ LYS A 2 -16.494 -5.896 1.814 1.00 1.00 N ATOM 0 H LYS A 2 -11.291 -4.274 3.115 1.00 1.00 H new ATOM 0 HA LYS A 2 -12.051 -6.884 4.072 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -11.573 -5.742 1.283 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -12.212 -7.344 1.594 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -14.118 -6.341 2.876 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -13.477 -4.737 2.582 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.644 -5.162 0.089 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -14.369 -6.722 0.428 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.502 -4.056 1.423 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -16.072 -4.888 -0.010 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -17.485 -5.607 1.689 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -16.386 -6.891 1.531 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -16.225 -5.789 2.813 1.00 1.00 H new ATOM 35 N LYS A 3 -10.111 -8.390 3.430 1.00 1.00 N ATOM 36 CA LYS A 3 -8.888 -9.181 3.335 1.00 1.00 C ATOM 37 C LYS A 3 -8.299 -9.092 1.936 1.00 1.00 C ATOM 38 O LYS A 3 -7.084 -9.004 1.768 1.00 1.00 O ATOM 39 CB LYS A 3 -9.181 -10.643 3.659 1.00 1.00 C ATOM 40 CG LYS A 3 -9.645 -10.765 5.111 1.00 1.00 C ATOM 41 CD LYS A 3 -9.743 -12.242 5.502 1.00 1.00 C ATOM 42 CE LYS A 3 -10.860 -12.925 4.709 1.00 1.00 C ATOM 43 NZ LYS A 3 -11.214 -14.213 5.368 1.00 1.00 N ATOM 0 H LYS A 3 -10.946 -8.922 3.674 1.00 1.00 H new ATOM 0 HA LYS A 3 -8.171 -8.782 4.052 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.949 -11.028 2.988 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -8.288 -11.247 3.500 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.946 -10.251 5.770 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -10.614 -10.282 5.235 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -8.793 -12.741 5.310 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -9.939 -12.331 6.571 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -11.735 -12.277 4.658 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -10.537 -13.105 3.684 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -11.973 -14.680 4.832 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -10.378 -14.831 5.394 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -11.539 -14.029 6.339 1.00 1.00 H new ATOM 57 N GLU A 4 -9.165 -9.123 0.934 1.00 1.00 N ATOM 58 CA GLU A 4 -8.706 -9.054 -0.442 1.00 1.00 C ATOM 59 C GLU A 4 -7.921 -7.762 -0.674 1.00 1.00 C ATOM 60 O GLU A 4 -6.853 -7.776 -1.285 1.00 1.00 O ATOM 61 CB GLU A 4 -9.907 -9.120 -1.394 1.00 1.00 C ATOM 62 CG GLU A 4 -10.716 -7.824 -1.298 1.00 1.00 C ATOM 63 CD GLU A 4 -12.077 -8.004 -1.960 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.286 -9.038 -2.572 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.892 -7.103 -1.846 1.00 1.00 O ATOM 0 H GLU A 4 -10.176 -9.195 1.047 1.00 1.00 H new ATOM 0 HA GLU A 4 -8.048 -9.901 -0.639 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.564 -9.270 -2.418 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.537 -9.973 -1.141 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.846 -7.544 -0.253 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -10.173 -7.011 -1.780 1.00 1.00 H new ATOM 72 N THR A 5 -8.459 -6.647 -0.183 1.00 1.00 N ATOM 73 CA THR A 5 -7.801 -5.356 -0.342 1.00 1.00 C ATOM 74 C THR A 5 -6.497 -5.309 0.448 1.00 1.00 C ATOM 75 O THR A 5 -5.485 -4.829 -0.042 1.00 1.00 O ATOM 76 CB THR A 5 -8.734 -4.226 0.114 1.00 1.00 C ATOM 77 OG1 THR A 5 -10.032 -4.471 -0.405 1.00 1.00 O ATOM 78 CG2 THR A 5 -8.223 -2.894 -0.445 1.00 1.00 C ATOM 0 H THR A 5 -9.343 -6.613 0.325 1.00 1.00 H new ATOM 0 HA THR A 5 -7.567 -5.221 -1.398 1.00 1.00 H new ATOM 0 HB THR A 5 -8.762 -4.184 1.203 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.703 -4.083 0.195 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.882 -2.088 -0.124 1.00 1.00 H new ATOM 0 HG22 THR A 5 -7.215 -2.707 -0.075 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.208 -2.938 -1.534 1.00 1.00 H new ATOM 86 N ILE A 6 -6.536 -5.812 1.679 1.00 1.00 N ATOM 87 CA ILE A 6 -5.360 -5.815 2.543 1.00 1.00 C ATOM 88 C ILE A 6 -4.218 -6.605 1.910 1.00 1.00 C ATOM 89 O ILE A 6 -3.071 -6.157 1.914 1.00 1.00 O ATOM 90 CB ILE A 6 -5.732 -6.437 3.896 1.00 1.00 C ATOM 91 CG1 ILE A 6 -6.695 -5.509 4.641 1.00 1.00 C ATOM 92 CG2 ILE A 6 -4.474 -6.638 4.746 1.00 1.00 C ATOM 93 CD1 ILE A 6 -7.313 -6.259 5.825 1.00 1.00 C ATOM 0 H ILE A 6 -7.369 -6.223 2.100 1.00 1.00 H new ATOM 0 HA ILE A 6 -5.025 -4.787 2.683 1.00 1.00 H new ATOM 0 HB ILE A 6 -6.208 -7.402 3.720 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -6.165 -4.624 4.994 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -7.479 -5.163 3.967 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -4.749 -7.080 5.704 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.785 -7.302 4.224 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.992 -5.675 4.916 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -7.999 -5.599 6.356 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -7.857 -7.130 5.460 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -6.523 -6.583 6.503 1.00 1.00 H new ATOM 105 N ASP A 7 -4.534 -7.769 1.361 1.00 1.00 N ATOM 106 CA ASP A 7 -3.519 -8.594 0.719 1.00 1.00 C ATOM 107 C ASP A 7 -2.943 -7.867 -0.496 1.00 1.00 C ATOM 108 O ASP A 7 -1.742 -7.934 -0.761 1.00 1.00 O ATOM 109 CB ASP A 7 -4.138 -9.926 0.291 1.00 1.00 C ATOM 110 CG ASP A 7 -4.382 -10.808 1.512 1.00 1.00 C ATOM 111 OD1 ASP A 7 -3.855 -10.490 2.566 1.00 1.00 O ATOM 112 OD2 ASP A 7 -5.097 -11.789 1.379 1.00 1.00 O ATOM 0 H ASP A 7 -5.475 -8.161 1.346 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.711 -8.785 1.426 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -5.078 -9.748 -0.232 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -3.475 -10.436 -0.409 1.00 1.00 H new ATOM 117 N LYS A 8 -3.812 -7.166 -1.223 1.00 1.00 N ATOM 118 CA LYS A 8 -3.392 -6.416 -2.409 1.00 1.00 C ATOM 119 C LYS A 8 -2.414 -5.306 -2.037 1.00 1.00 C ATOM 120 O LYS A 8 -1.397 -5.118 -2.702 1.00 1.00 O ATOM 121 CB LYS A 8 -4.624 -5.789 -3.080 1.00 1.00 C ATOM 122 CG LYS A 8 -5.407 -6.841 -3.878 1.00 1.00 C ATOM 123 CD LYS A 8 -4.807 -7.001 -5.293 1.00 1.00 C ATOM 124 CE LYS A 8 -5.413 -5.965 -6.250 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.820 -6.133 -7.607 1.00 1.00 N ATOM 0 H LYS A 8 -4.808 -7.101 -1.014 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.897 -7.106 -3.092 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -5.270 -5.346 -2.322 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -4.311 -4.982 -3.743 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.381 -7.797 -3.355 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.454 -6.546 -3.951 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.725 -6.879 -5.252 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -5.000 -8.007 -5.666 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.495 -6.087 -6.297 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -5.222 -4.958 -5.880 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.406 -5.634 -8.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -3.858 -5.738 -7.617 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.782 -7.144 -7.846 1.00 1.00 H new ATOM 139 N VAL A 9 -2.727 -4.565 -0.981 1.00 1.00 N ATOM 140 CA VAL A 9 -1.851 -3.476 -0.564 1.00 1.00 C ATOM 141 C VAL A 9 -0.479 -4.027 -0.210 1.00 1.00 C ATOM 142 O VAL A 9 0.547 -3.503 -0.647 1.00 1.00 O ATOM 143 CB VAL A 9 -2.436 -2.744 0.646 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.441 -1.684 1.131 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.745 -2.056 0.252 1.00 1.00 C ATOM 0 H VAL A 9 -3.561 -4.693 -0.408 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.761 -2.770 -1.390 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.627 -3.464 1.441 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.857 -1.162 1.993 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.506 -2.166 1.415 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -1.252 -0.969 0.330 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -4.158 -1.536 1.117 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.553 -1.338 -0.545 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.458 -2.803 -0.097 1.00 1.00 H new ATOM 155 N SER A 10 -0.469 -5.090 0.579 1.00 1.00 N ATOM 156 CA SER A 10 0.782 -5.711 0.977 1.00 1.00 C ATOM 157 C SER A 10 1.535 -6.195 -0.257 1.00 1.00 C ATOM 158 O SER A 10 2.744 -6.023 -0.357 1.00 1.00 O ATOM 159 CB SER A 10 0.500 -6.901 1.905 1.00 1.00 C ATOM 160 OG SER A 10 -0.581 -6.575 2.771 1.00 1.00 O ATOM 0 H SER A 10 -1.306 -5.537 0.953 1.00 1.00 H new ATOM 0 HA SER A 10 1.390 -4.977 1.506 1.00 1.00 H new ATOM 0 HB2 SER A 10 0.256 -7.786 1.317 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.389 -7.141 2.488 1.00 1.00 H new ATOM 0 HG SER A 10 -1.430 -6.774 2.324 1.00 1.00 H new ATOM 166 N ASP A 11 0.800 -6.794 -1.192 1.00 1.00 N ATOM 167 CA ASP A 11 1.391 -7.319 -2.414 1.00 1.00 C ATOM 168 C ASP A 11 2.156 -6.236 -3.160 1.00 1.00 C ATOM 169 O ASP A 11 3.289 -6.453 -3.578 1.00 1.00 O ATOM 170 CB ASP A 11 0.277 -7.887 -3.302 1.00 1.00 C ATOM 171 CG ASP A 11 -0.217 -9.222 -2.753 1.00 1.00 C ATOM 172 OD1 ASP A 11 0.455 -9.780 -1.900 1.00 1.00 O ATOM 173 OD2 ASP A 11 -1.259 -9.671 -3.199 1.00 1.00 O ATOM 0 H ASP A 11 -0.209 -6.926 -1.123 1.00 1.00 H new ATOM 0 HA ASP A 11 2.098 -8.108 -2.156 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -0.551 -7.180 -3.354 1.00 1.00 H new ATOM 0 HB3 ASP A 11 0.647 -8.020 -4.319 1.00 1.00 H new ATOM 178 N ILE A 12 1.555 -5.067 -3.305 1.00 1.00 N ATOM 179 CA ILE A 12 2.226 -3.975 -3.996 1.00 1.00 C ATOM 180 C ILE A 12 3.601 -3.720 -3.381 1.00 1.00 C ATOM 181 O ILE A 12 4.578 -3.548 -4.102 1.00 1.00 O ATOM 182 CB ILE A 12 1.350 -2.692 -3.922 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.455 -2.565 -5.165 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.217 -1.433 -3.815 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.543 -3.715 -5.235 1.00 1.00 C ATOM 0 H ILE A 12 0.620 -4.850 -2.961 1.00 1.00 H new ATOM 0 HA ILE A 12 2.366 -4.249 -5.042 1.00 1.00 H new ATOM 0 HB ILE A 12 0.730 -2.782 -3.030 1.00 1.00 H new ATOM 0 HG12 ILE A 12 -0.079 -1.615 -5.138 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.072 -2.558 -6.063 1.00 1.00 H new ATOM 0 HG21 ILE A 12 1.576 -0.553 -3.765 1.00 1.00 H new ATOM 0 HG22 ILE A 12 2.829 -1.488 -2.914 1.00 1.00 H new ATOM 0 HG23 ILE A 12 2.864 -1.361 -4.689 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -1.165 -3.603 -6.123 1.00 1.00 H new ATOM 0 HD12 ILE A 12 -0.005 -4.661 -5.286 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -1.174 -3.704 -4.346 1.00 1.00 H new ATOM 197 N VAL A 13 3.664 -3.680 -2.061 1.00 1.00 N ATOM 198 CA VAL A 13 4.923 -3.415 -1.377 1.00 1.00 C ATOM 199 C VAL A 13 5.945 -4.516 -1.665 1.00 1.00 C ATOM 200 O VAL A 13 7.113 -4.233 -1.912 1.00 1.00 O ATOM 201 CB VAL A 13 4.677 -3.320 0.126 1.00 1.00 C ATOM 202 CG1 VAL A 13 5.988 -2.980 0.836 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.630 -2.238 0.405 1.00 1.00 C ATOM 0 H VAL A 13 2.866 -3.826 -1.443 1.00 1.00 H new ATOM 0 HA VAL A 13 5.325 -2.471 -1.745 1.00 1.00 H new ATOM 0 HB VAL A 13 4.308 -4.275 0.499 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.813 -2.912 1.910 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.723 -3.760 0.637 1.00 1.00 H new ATOM 0 HG13 VAL A 13 6.364 -2.025 0.468 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.454 -2.170 1.479 1.00 1.00 H new ATOM 0 HG22 VAL A 13 3.991 -1.278 0.035 1.00 1.00 H new ATOM 0 HG23 VAL A 13 2.698 -2.494 -0.100 1.00 1.00 H new ATOM 213 N LYS A 14 5.500 -5.768 -1.618 1.00 1.00 N ATOM 214 CA LYS A 14 6.393 -6.907 -1.864 1.00 1.00 C ATOM 215 C LYS A 14 6.923 -6.895 -3.294 1.00 1.00 C ATOM 216 O LYS A 14 8.099 -7.168 -3.535 1.00 1.00 O ATOM 217 CB LYS A 14 5.641 -8.208 -1.631 1.00 1.00 C ATOM 218 CG LYS A 14 5.076 -8.215 -0.195 1.00 1.00 C ATOM 219 CD LYS A 14 4.987 -9.656 0.376 1.00 1.00 C ATOM 220 CE LYS A 14 5.754 -9.746 1.699 1.00 1.00 C ATOM 221 NZ LYS A 14 5.011 -9.010 2.762 1.00 1.00 N ATOM 0 H LYS A 14 4.534 -6.024 -1.414 1.00 1.00 H new ATOM 0 HA LYS A 14 7.235 -6.827 -1.176 1.00 1.00 H new ATOM 0 HB2 LYS A 14 4.832 -8.309 -2.354 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.307 -9.058 -1.777 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.710 -7.606 0.449 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.086 -7.759 -0.191 1.00 1.00 H new ATOM 0 HD2 LYS A 14 3.944 -9.930 0.532 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.399 -10.366 -0.341 1.00 1.00 H new ATOM 0 HE2 LYS A 14 5.881 -10.790 1.987 1.00 1.00 H new ATOM 0 HE3 LYS A 14 6.752 -9.324 1.581 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 5.543 -8.157 3.030 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 4.074 -8.735 2.404 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 4.897 -9.623 3.594 1.00 1.00 H new ATOM 235 N GLU A 15 6.040 -6.588 -4.239 1.00 1.00 N ATOM 236 CA GLU A 15 6.412 -6.549 -5.651 1.00 1.00 C ATOM 237 C GLU A 15 7.656 -5.690 -5.861 1.00 1.00 C ATOM 238 O GLU A 15 8.432 -5.922 -6.788 1.00 1.00 O ATOM 239 CB GLU A 15 5.255 -5.974 -6.473 1.00 1.00 C ATOM 240 CG GLU A 15 4.116 -6.991 -6.562 1.00 1.00 C ATOM 241 CD GLU A 15 2.892 -6.335 -7.196 1.00 1.00 C ATOM 242 OE1 GLU A 15 2.994 -5.181 -7.580 1.00 1.00 O ATOM 243 OE2 GLU A 15 1.869 -6.994 -7.288 1.00 1.00 O ATOM 0 H GLU A 15 5.063 -6.363 -4.054 1.00 1.00 H new ATOM 0 HA GLU A 15 6.630 -7.566 -5.977 1.00 1.00 H new ATOM 0 HB2 GLU A 15 4.895 -5.053 -6.014 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.602 -5.717 -7.474 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.428 -7.851 -7.155 1.00 1.00 H new ATOM 0 HG3 GLU A 15 3.868 -7.362 -5.568 1.00 1.00 H new ATOM 250 N LYS A 16 7.835 -4.697 -4.999 1.00 1.00 N ATOM 251 CA LYS A 16 8.986 -3.806 -5.102 1.00 1.00 C ATOM 252 C LYS A 16 10.270 -4.593 -4.861 1.00 1.00 C ATOM 253 O LYS A 16 11.236 -4.476 -5.617 1.00 1.00 O ATOM 254 CB LYS A 16 8.882 -2.673 -4.063 1.00 1.00 C ATOM 255 CG LYS A 16 7.444 -2.135 -3.976 1.00 1.00 C ATOM 256 CD LYS A 16 7.047 -1.380 -5.257 1.00 1.00 C ATOM 257 CE LYS A 16 5.566 -0.975 -5.198 1.00 1.00 C ATOM 258 NZ LYS A 16 5.414 0.397 -5.759 1.00 1.00 N ATOM 0 H LYS A 16 7.203 -4.488 -4.226 1.00 1.00 H new ATOM 0 HA LYS A 16 9.002 -3.373 -6.102 1.00 1.00 H new ATOM 0 HB2 LYS A 16 9.196 -3.041 -3.086 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.561 -1.864 -4.333 1.00 1.00 H new ATOM 0 HG2 LYS A 16 6.754 -2.963 -3.811 1.00 1.00 H new ATOM 0 HG3 LYS A 16 7.354 -1.470 -3.117 1.00 1.00 H new ATOM 0 HD2 LYS A 16 7.670 -0.493 -5.372 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.225 -2.010 -6.129 1.00 1.00 H new ATOM 0 HE2 LYS A 16 4.960 -1.682 -5.764 1.00 1.00 H new ATOM 0 HE3 LYS A 16 5.209 -1.002 -4.168 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 4.528 0.817 -5.413 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 6.217 0.986 -5.458 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 5.392 0.347 -6.798 1.00 1.00 H new ATOM 272 N LEU A 17 10.263 -5.392 -3.794 1.00 1.00 N ATOM 273 CA LEU A 17 11.408 -6.205 -3.430 1.00 1.00 C ATOM 274 C LEU A 17 11.287 -7.589 -4.057 1.00 1.00 C ATOM 275 O LEU A 17 12.179 -8.426 -3.906 1.00 1.00 O ATOM 276 CB LEU A 17 11.467 -6.378 -1.904 1.00 1.00 C ATOM 277 CG LEU A 17 11.331 -5.038 -1.146 1.00 1.00 C ATOM 278 CD1 LEU A 17 12.028 -3.894 -1.902 1.00 1.00 C ATOM 279 CD2 LEU A 17 9.844 -4.691 -0.912 1.00 1.00 C ATOM 0 H LEU A 17 9.466 -5.489 -3.165 1.00 1.00 H new ATOM 0 HA LEU A 17 12.308 -5.706 -3.789 1.00 1.00 H new ATOM 0 HB2 LEU A 17 10.671 -7.052 -1.588 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.411 -6.850 -1.632 1.00 1.00 H new ATOM 0 HG LEU A 17 11.821 -5.156 -0.180 1.00 1.00 H new ATOM 0 HD11 LEU A 17 11.914 -2.966 -1.343 1.00 1.00 H new ATOM 0 HD12 LEU A 17 13.088 -4.123 -2.012 1.00 1.00 H new ATOM 0 HD13 LEU A 17 11.577 -3.781 -2.888 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.771 -3.744 -0.377 1.00 1.00 H new ATOM 0 HD22 LEU A 17 9.335 -4.605 -1.872 1.00 1.00 H new ATOM 0 HD23 LEU A 17 9.375 -5.478 -0.322 1.00 1.00 H new ATOM 291 N ALA A 18 10.172 -7.832 -4.736 1.00 1.00 N ATOM 292 CA ALA A 18 9.935 -9.130 -5.357 1.00 1.00 C ATOM 293 C ALA A 18 9.690 -10.186 -4.286 1.00 1.00 C ATOM 294 O ALA A 18 10.144 -11.325 -4.398 1.00 1.00 O ATOM 295 CB ALA A 18 11.141 -9.525 -6.223 1.00 1.00 C ATOM 0 H ALA A 18 9.423 -7.153 -4.870 1.00 1.00 H new ATOM 0 HA ALA A 18 9.051 -9.063 -5.992 1.00 1.00 H new ATOM 0 HB1 ALA A 18 10.956 -10.496 -6.683 1.00 1.00 H new ATOM 0 HB2 ALA A 18 11.291 -8.777 -7.001 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.033 -9.583 -5.600 1.00 1.00 H new ATOM 301 N LEU A 19 8.972 -9.783 -3.248 1.00 1.00 N ATOM 302 CA LEU A 19 8.655 -10.663 -2.129 1.00 1.00 C ATOM 303 C LEU A 19 7.294 -11.336 -2.342 1.00 1.00 C ATOM 304 O LEU A 19 6.696 -11.225 -3.410 1.00 1.00 O ATOM 305 CB LEU A 19 8.652 -9.812 -0.844 1.00 1.00 C ATOM 306 CG LEU A 19 9.939 -10.037 -0.038 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.184 -9.574 -0.840 1.00 1.00 C ATOM 308 CD2 LEU A 19 9.826 -9.250 1.270 1.00 1.00 C ATOM 0 H LEU A 19 8.593 -8.840 -3.156 1.00 1.00 H new ATOM 0 HA LEU A 19 9.399 -11.456 -2.049 1.00 1.00 H new ATOM 0 HB2 LEU A 19 8.559 -8.757 -1.101 1.00 1.00 H new ATOM 0 HB3 LEU A 19 7.786 -10.069 -0.234 1.00 1.00 H new ATOM 0 HG LEU A 19 10.061 -11.100 0.170 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.083 -9.744 -0.247 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.250 -10.140 -1.769 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.095 -8.512 -1.068 1.00 1.00 H new ATOM 0 HD21 LEU A 19 10.730 -9.395 1.861 1.00 1.00 H new ATOM 0 HD22 LEU A 19 9.703 -8.190 1.047 1.00 1.00 H new ATOM 0 HD23 LEU A 19 8.963 -9.604 1.834 1.00 1.00 H new ATOM 320 N GLY A 20 6.811 -12.037 -1.312 1.00 1.00 N ATOM 321 CA GLY A 20 5.519 -12.725 -1.396 1.00 1.00 C ATOM 322 C GLY A 20 5.699 -14.149 -1.910 1.00 1.00 C ATOM 323 O GLY A 20 4.736 -14.913 -1.995 1.00 1.00 O ATOM 0 H GLY A 20 7.290 -12.143 -0.418 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.047 -12.745 -0.414 1.00 1.00 H new ATOM 0 HA3 GLY A 20 4.851 -12.175 -2.059 1.00 1.00 H new ATOM 327 N ALA A 21 6.939 -14.498 -2.247 1.00 1.00 N ATOM 328 CA ALA A 21 7.243 -15.835 -2.749 1.00 1.00 C ATOM 329 C ALA A 21 7.578 -16.769 -1.593 1.00 1.00 C ATOM 330 O ALA A 21 6.749 -17.575 -1.173 1.00 1.00 O ATOM 331 CB ALA A 21 8.435 -15.771 -3.711 1.00 1.00 C ATOM 0 H ALA A 21 7.745 -13.877 -2.182 1.00 1.00 H new ATOM 0 HA ALA A 21 6.368 -16.217 -3.276 1.00 1.00 H new ATOM 0 HB1 ALA A 21 8.657 -16.771 -4.082 1.00 1.00 H new ATOM 0 HB2 ALA A 21 8.191 -15.119 -4.550 1.00 1.00 H new ATOM 0 HB3 ALA A 21 9.305 -15.377 -3.186 1.00 1.00 H new ATOM 337 N ASP A 22 8.802 -16.649 -1.074 1.00 1.00 N ATOM 338 CA ASP A 22 9.250 -17.483 0.043 1.00 1.00 C ATOM 339 C ASP A 22 9.131 -16.722 1.362 1.00 1.00 C ATOM 340 O ASP A 22 9.671 -17.145 2.384 1.00 1.00 O ATOM 341 CB ASP A 22 10.703 -17.910 -0.173 1.00 1.00 C ATOM 342 CG ASP A 22 10.795 -18.870 -1.353 1.00 1.00 C ATOM 343 OD1 ASP A 22 9.761 -19.367 -1.770 1.00 1.00 O ATOM 344 OD2 ASP A 22 11.898 -19.097 -1.823 1.00 1.00 O ATOM 0 H ASP A 22 9.499 -15.984 -1.409 1.00 1.00 H new ATOM 0 HA ASP A 22 8.615 -18.368 0.088 1.00 1.00 H new ATOM 0 HB2 ASP A 22 11.324 -17.034 -0.357 1.00 1.00 H new ATOM 0 HB3 ASP A 22 11.087 -18.390 0.727 1.00 1.00 H new ATOM 349 N VAL A 23 8.431 -15.588 1.328 1.00 1.00 N ATOM 350 CA VAL A 23 8.251 -14.752 2.520 1.00 1.00 C ATOM 351 C VAL A 23 6.772 -14.632 2.871 1.00 1.00 C ATOM 352 O VAL A 23 5.930 -14.414 2.001 1.00 1.00 O ATOM 353 CB VAL A 23 8.826 -13.355 2.260 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.439 -12.403 3.399 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.350 -13.443 2.158 1.00 1.00 C ATOM 0 H VAL A 23 7.978 -15.225 0.489 1.00 1.00 H new ATOM 0 HA VAL A 23 8.775 -15.218 3.354 1.00 1.00 H new ATOM 0 HB VAL A 23 8.418 -12.970 1.325 1.00 1.00 H new ATOM 0 HG11 VAL A 23 8.853 -11.414 3.203 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.353 -12.335 3.464 1.00 1.00 H new ATOM 0 HG13 VAL A 23 8.836 -12.782 4.341 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.760 -12.450 1.973 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.755 -13.835 3.091 1.00 1.00 H new ATOM 0 HG23 VAL A 23 10.622 -14.107 1.337 1.00 1.00 H new ATOM 365 N VAL A 24 6.468 -14.772 4.156 1.00 1.00 N ATOM 366 CA VAL A 24 5.092 -14.673 4.622 1.00 1.00 C ATOM 367 C VAL A 24 4.606 -13.232 4.516 1.00 1.00 C ATOM 368 O VAL A 24 5.292 -12.303 4.942 1.00 1.00 O ATOM 369 CB VAL A 24 5.000 -15.137 6.076 1.00 1.00 C ATOM 370 CG1 VAL A 24 3.563 -14.979 6.575 1.00 1.00 C ATOM 371 CG2 VAL A 24 5.418 -16.606 6.173 1.00 1.00 C ATOM 0 H VAL A 24 7.153 -14.954 4.890 1.00 1.00 H new ATOM 0 HA VAL A 24 4.464 -15.310 3.999 1.00 1.00 H new ATOM 0 HB VAL A 24 5.665 -14.531 6.691 1.00 1.00 H new ATOM 0 HG11 VAL A 24 3.499 -15.310 7.612 1.00 1.00 H new ATOM 0 HG12 VAL A 24 3.268 -13.932 6.510 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.896 -15.582 5.960 1.00 1.00 H new ATOM 0 HG21 VAL A 24 5.352 -16.935 7.210 1.00 1.00 H new ATOM 0 HG22 VAL A 24 4.756 -17.214 5.556 1.00 1.00 H new ATOM 0 HG23 VAL A 24 6.444 -16.716 5.822 1.00 1.00 H new ATOM 381 N VAL A 25 3.422 -13.051 3.938 1.00 1.00 N ATOM 382 CA VAL A 25 2.848 -11.714 3.769 1.00 1.00 C ATOM 383 C VAL A 25 1.900 -11.382 4.909 1.00 1.00 C ATOM 384 O VAL A 25 0.983 -12.149 5.211 1.00 1.00 O ATOM 385 CB VAL A 25 2.084 -11.654 2.445 1.00 1.00 C ATOM 386 CG1 VAL A 25 1.685 -10.205 2.138 1.00 1.00 C ATOM 387 CG2 VAL A 25 2.950 -12.230 1.313 1.00 1.00 C ATOM 0 H VAL A 25 2.841 -13.808 3.579 1.00 1.00 H new ATOM 0 HA VAL A 25 3.660 -10.987 3.769 1.00 1.00 H new ATOM 0 HB VAL A 25 1.177 -12.254 2.525 1.00 1.00 H new ATOM 0 HG11 VAL A 25 1.141 -10.170 1.194 1.00 1.00 H new ATOM 0 HG12 VAL A 25 1.049 -9.826 2.938 1.00 1.00 H new ATOM 0 HG13 VAL A 25 2.581 -9.589 2.064 1.00 1.00 H new ATOM 0 HG21 VAL A 25 2.399 -12.184 0.374 1.00 1.00 H new ATOM 0 HG22 VAL A 25 3.867 -11.648 1.225 1.00 1.00 H new ATOM 0 HG23 VAL A 25 3.199 -13.267 1.537 1.00 1.00 H new ATOM 397 N THR A 26 2.111 -10.227 5.540 1.00 1.00 N ATOM 398 CA THR A 26 1.257 -9.796 6.643 1.00 1.00 C ATOM 399 C THR A 26 0.980 -8.303 6.542 1.00 1.00 C ATOM 400 O THR A 26 1.830 -7.526 6.105 1.00 1.00 O ATOM 401 CB THR A 26 1.937 -10.122 7.977 1.00 1.00 C ATOM 402 OG1 THR A 26 3.328 -9.853 7.879 1.00 1.00 O ATOM 403 CG2 THR A 26 1.732 -11.599 8.310 1.00 1.00 C ATOM 0 H THR A 26 2.862 -9.577 5.307 1.00 1.00 H new ATOM 0 HA THR A 26 0.307 -10.327 6.588 1.00 1.00 H new ATOM 0 HB THR A 26 1.499 -9.507 8.763 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.762 -10.060 8.733 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.216 -11.829 9.259 1.00 1.00 H new ATOM 0 HG22 THR A 26 0.665 -11.810 8.387 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.168 -12.213 7.522 1.00 1.00 H new ATOM 411 N ALA A 27 -0.221 -7.913 6.947 1.00 1.00 N ATOM 412 CA ALA A 27 -0.616 -6.516 6.898 1.00 1.00 C ATOM 413 C ALA A 27 0.052 -5.719 8.013 1.00 1.00 C ATOM 414 O ALA A 27 0.522 -4.603 7.808 1.00 1.00 O ATOM 415 CB ALA A 27 -2.135 -6.408 7.039 1.00 1.00 C ATOM 0 H ALA A 27 -0.935 -8.544 7.312 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.299 -6.104 5.940 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.430 -5.359 7.002 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -2.615 -6.949 6.224 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.443 -6.838 7.992 1.00 1.00 H new ATOM 421 N ASP A 28 0.088 -6.293 9.200 1.00 1.00 N ATOM 422 CA ASP A 28 0.691 -5.601 10.321 1.00 1.00 C ATOM 423 C ASP A 28 2.202 -5.562 10.155 1.00 1.00 C ATOM 424 O ASP A 28 2.930 -5.217 11.085 1.00 1.00 O ATOM 425 CB ASP A 28 0.330 -6.304 11.629 1.00 1.00 C ATOM 426 CG ASP A 28 -1.163 -6.157 11.903 1.00 1.00 C ATOM 427 OD1 ASP A 28 -1.579 -5.060 12.231 1.00 1.00 O ATOM 428 OD2 ASP A 28 -1.869 -7.145 11.775 1.00 1.00 O ATOM 0 H ASP A 28 -0.285 -7.219 9.411 1.00 1.00 H new ATOM 0 HA ASP A 28 0.309 -4.581 10.351 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.595 -7.360 11.570 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.903 -5.877 12.452 1.00 1.00 H new ATOM 433 N SER A 29 2.671 -5.933 8.965 1.00 1.00 N ATOM 434 CA SER A 29 4.099 -5.949 8.703 1.00 1.00 C ATOM 435 C SER A 29 4.661 -4.538 8.578 1.00 1.00 C ATOM 436 O SER A 29 5.876 -4.358 8.503 1.00 1.00 O ATOM 437 CB SER A 29 4.402 -6.731 7.424 1.00 1.00 C ATOM 438 OG SER A 29 5.784 -7.068 7.395 1.00 1.00 O ATOM 0 H SER A 29 2.088 -6.222 8.180 1.00 1.00 H new ATOM 0 HA SER A 29 4.578 -6.438 9.551 1.00 1.00 H new ATOM 0 HB2 SER A 29 3.795 -7.635 7.384 1.00 1.00 H new ATOM 0 HB3 SER A 29 4.143 -6.134 6.549 1.00 1.00 H new ATOM 0 HG SER A 29 6.311 -6.317 7.740 1.00 1.00 H new ATOM 444 N GLU A 30 3.777 -3.548 8.546 1.00 1.00 N ATOM 445 CA GLU A 30 4.202 -2.157 8.423 1.00 1.00 C ATOM 446 C GLU A 30 4.974 -1.959 7.127 1.00 1.00 C ATOM 447 O GLU A 30 5.790 -2.794 6.741 1.00 1.00 O ATOM 448 CB GLU A 30 5.079 -1.759 9.613 1.00 1.00 C ATOM 449 CG GLU A 30 4.313 -2.013 10.914 1.00 1.00 C ATOM 450 CD GLU A 30 5.189 -1.666 12.113 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.302 -1.214 11.898 1.00 1.00 O ATOM 452 OE2 GLU A 30 4.734 -1.860 13.228 1.00 1.00 O ATOM 0 H GLU A 30 2.767 -3.680 8.603 1.00 1.00 H new ATOM 0 HA GLU A 30 3.315 -1.524 8.412 1.00 1.00 H new ATOM 0 HB2 GLU A 30 6.005 -2.333 9.605 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.356 -0.707 9.540 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.403 -1.413 10.933 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.007 -3.058 10.967 1.00 1.00 H new ATOM 459 N PHE A 31 4.699 -0.851 6.455 1.00 1.00 N ATOM 460 CA PHE A 31 5.365 -0.552 5.200 1.00 1.00 C ATOM 461 C PHE A 31 6.873 -0.429 5.407 1.00 1.00 C ATOM 462 O PHE A 31 7.661 -0.918 4.598 1.00 1.00 O ATOM 463 CB PHE A 31 4.820 0.752 4.623 1.00 1.00 C ATOM 464 CG PHE A 31 3.399 0.573 4.165 1.00 1.00 C ATOM 465 CD1 PHE A 31 3.145 0.049 2.899 1.00 1.00 C ATOM 466 CD2 PHE A 31 2.337 0.947 4.996 1.00 1.00 C ATOM 467 CE1 PHE A 31 1.829 -0.113 2.458 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.024 0.788 4.559 1.00 1.00 C ATOM 469 CZ PHE A 31 0.767 0.258 3.289 1.00 1.00 C ATOM 0 H PHE A 31 4.023 -0.149 6.757 1.00 1.00 H new ATOM 0 HA PHE A 31 5.173 -1.368 4.504 1.00 1.00 H new ATOM 0 HB2 PHE A 31 4.869 1.538 5.376 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.440 1.073 3.786 1.00 1.00 H new ATOM 0 HD1 PHE A 31 3.967 -0.232 2.257 1.00 1.00 H new ATOM 0 HD2 PHE A 31 2.535 1.358 5.975 1.00 1.00 H new ATOM 0 HE1 PHE A 31 1.633 -0.523 1.479 1.00 1.00 H new ATOM 0 HE2 PHE A 31 0.204 1.074 5.200 1.00 1.00 H new ATOM 0 HZ PHE A 31 -0.251 0.136 2.951 1.00 1.00 H new ATOM 479 N SER A 32 7.268 0.233 6.491 1.00 1.00 N ATOM 480 CA SER A 32 8.686 0.416 6.783 1.00 1.00 C ATOM 481 C SER A 32 9.379 -0.933 6.938 1.00 1.00 C ATOM 482 O SER A 32 8.848 -1.847 7.568 1.00 1.00 O ATOM 483 CB SER A 32 8.855 1.229 8.067 1.00 1.00 C ATOM 484 OG SER A 32 8.029 2.384 8.004 1.00 1.00 O ATOM 0 H SER A 32 6.634 0.647 7.175 1.00 1.00 H new ATOM 0 HA SER A 32 9.142 0.953 5.951 1.00 1.00 H new ATOM 0 HB2 SER A 32 8.587 0.623 8.933 1.00 1.00 H new ATOM 0 HB3 SER A 32 9.898 1.520 8.192 1.00 1.00 H new ATOM 0 HG SER A 32 8.134 2.906 8.827 1.00 1.00 H new ATOM 490 N LYS A 33 10.569 -1.050 6.357 1.00 1.00 N ATOM 491 CA LYS A 33 11.336 -2.291 6.430 1.00 1.00 C ATOM 492 C LYS A 33 12.830 -2.002 6.355 1.00 1.00 C ATOM 493 O LYS A 33 13.244 -0.917 5.942 1.00 1.00 O ATOM 494 CB LYS A 33 10.941 -3.233 5.291 1.00 1.00 C ATOM 495 CG LYS A 33 9.508 -3.730 5.506 1.00 1.00 C ATOM 496 CD LYS A 33 9.194 -4.862 4.521 1.00 1.00 C ATOM 497 CE LYS A 33 9.119 -4.315 3.093 1.00 1.00 C ATOM 498 NZ LYS A 33 8.488 -5.336 2.212 1.00 1.00 N ATOM 0 H LYS A 33 11.023 -0.303 5.831 1.00 1.00 H new ATOM 0 HA LYS A 33 11.113 -2.770 7.384 1.00 1.00 H new ATOM 0 HB2 LYS A 33 11.017 -2.715 4.335 1.00 1.00 H new ATOM 0 HB3 LYS A 33 11.627 -4.079 5.251 1.00 1.00 H new ATOM 0 HG2 LYS A 33 9.386 -4.083 6.530 1.00 1.00 H new ATOM 0 HG3 LYS A 33 8.805 -2.909 5.366 1.00 1.00 H new ATOM 0 HD2 LYS A 33 9.963 -5.632 4.583 1.00 1.00 H new ATOM 0 HD3 LYS A 33 8.248 -5.334 4.788 1.00 1.00 H new ATOM 0 HE2 LYS A 33 8.539 -3.392 3.074 1.00 1.00 H new ATOM 0 HE3 LYS A 33 10.118 -4.072 2.731 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 8.249 -4.904 1.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 9.152 -6.122 2.061 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 7.622 -5.696 2.662 1.00 1.00 H new ATOM 512 N LEU A 34 13.636 -2.978 6.760 1.00 1.00 N ATOM 513 CA LEU A 34 15.084 -2.819 6.737 1.00 1.00 C ATOM 514 C LEU A 34 15.587 -2.746 5.298 1.00 1.00 C ATOM 515 O LEU A 34 15.199 -3.556 4.454 1.00 1.00 O ATOM 516 CB LEU A 34 15.741 -4.005 7.447 1.00 1.00 C ATOM 517 CG LEU A 34 15.166 -4.150 8.862 1.00 1.00 C ATOM 518 CD1 LEU A 34 15.769 -5.390 9.524 1.00 1.00 C ATOM 519 CD2 LEU A 34 15.504 -2.903 9.696 1.00 1.00 C ATOM 0 H LEU A 34 13.313 -3.882 7.106 1.00 1.00 H new ATOM 0 HA LEU A 34 15.344 -1.893 7.250 1.00 1.00 H new ATOM 0 HB2 LEU A 34 15.570 -4.920 6.880 1.00 1.00 H new ATOM 0 HB3 LEU A 34 16.820 -3.858 7.497 1.00 1.00 H new ATOM 0 HG LEU A 34 14.082 -4.254 8.804 1.00 1.00 H new ATOM 0 HD11 LEU A 34 15.364 -5.498 10.530 1.00 1.00 H new ATOM 0 HD12 LEU A 34 15.521 -6.273 8.936 1.00 1.00 H new ATOM 0 HD13 LEU A 34 16.852 -5.283 9.578 1.00 1.00 H new ATOM 0 HD21 LEU A 34 15.092 -3.014 10.699 1.00 1.00 H new ATOM 0 HD22 LEU A 34 16.586 -2.789 9.758 1.00 1.00 H new ATOM 0 HD23 LEU A 34 15.073 -2.021 9.222 1.00 1.00 H new ATOM 531 N GLY A 35 16.451 -1.770 5.024 1.00 1.00 N ATOM 532 CA GLY A 35 17.005 -1.590 3.680 1.00 1.00 C ATOM 533 C GLY A 35 17.144 -0.108 3.350 1.00 1.00 C ATOM 534 O GLY A 35 17.766 0.647 4.099 1.00 1.00 O ATOM 0 H GLY A 35 16.783 -1.093 5.711 1.00 1.00 H new ATOM 0 HA2 GLY A 35 17.979 -2.075 3.614 1.00 1.00 H new ATOM 0 HA3 GLY A 35 16.358 -2.072 2.947 1.00 1.00 H new ATOM 538 N ALA A 36 16.560 0.303 2.229 1.00 1.00 N ATOM 539 CA ALA A 36 16.624 1.701 1.814 1.00 1.00 C ATOM 540 C ALA A 36 15.855 2.586 2.789 1.00 1.00 C ATOM 541 O ALA A 36 14.781 2.216 3.264 1.00 1.00 O ATOM 542 CB ALA A 36 16.036 1.852 0.410 1.00 1.00 C ATOM 0 H ALA A 36 16.041 -0.306 1.596 1.00 1.00 H new ATOM 0 HA ALA A 36 17.668 2.013 1.807 1.00 1.00 H new ATOM 0 HB1 ALA A 36 16.086 2.897 0.105 1.00 1.00 H new ATOM 0 HB2 ALA A 36 16.606 1.242 -0.291 1.00 1.00 H new ATOM 0 HB3 ALA A 36 14.996 1.525 0.414 1.00 1.00 H new ATOM 548 N ASP A 37 16.411 3.760 3.080 1.00 1.00 N ATOM 549 CA ASP A 37 15.772 4.700 3.999 1.00 1.00 C ATOM 550 C ASP A 37 14.870 5.665 3.237 1.00 1.00 C ATOM 551 O ASP A 37 14.244 6.543 3.830 1.00 1.00 O ATOM 552 CB ASP A 37 16.839 5.492 4.761 1.00 1.00 C ATOM 553 CG ASP A 37 17.796 6.156 3.778 1.00 1.00 C ATOM 554 OD1 ASP A 37 17.793 5.765 2.622 1.00 1.00 O ATOM 555 OD2 ASP A 37 18.516 7.047 4.194 1.00 1.00 O ATOM 0 H ASP A 37 17.299 4.082 2.695 1.00 1.00 H new ATOM 0 HA ASP A 37 15.165 4.133 4.705 1.00 1.00 H new ATOM 0 HB2 ASP A 37 16.365 6.248 5.387 1.00 1.00 H new ATOM 0 HB3 ASP A 37 17.391 4.828 5.426 1.00 1.00 H new ATOM 560 N SER A 38 14.811 5.497 1.919 1.00 1.00 N ATOM 561 CA SER A 38 13.980 6.363 1.090 1.00 1.00 C ATOM 562 C SER A 38 12.507 6.006 1.256 1.00 1.00 C ATOM 563 O SER A 38 12.126 4.838 1.183 1.00 1.00 O ATOM 564 CB SER A 38 14.383 6.223 -0.380 1.00 1.00 C ATOM 0 H SER A 38 15.322 4.778 1.407 1.00 1.00 H new ATOM 0 HA SER A 38 14.129 7.395 1.408 1.00 1.00 H new ATOM 569 N LEU A 39 11.682 7.024 1.477 1.00 1.00 N ATOM 570 CA LEU A 39 10.252 6.809 1.648 1.00 1.00 C ATOM 571 C LEU A 39 9.642 6.246 0.368 1.00 1.00 C ATOM 572 O LEU A 39 8.821 5.334 0.411 1.00 1.00 O ATOM 573 CB LEU A 39 9.567 8.129 2.011 1.00 1.00 C ATOM 574 CG LEU A 39 9.997 8.575 3.418 1.00 1.00 C ATOM 575 CD1 LEU A 39 9.511 10.008 3.659 1.00 1.00 C ATOM 576 CD2 LEU A 39 9.399 7.637 4.491 1.00 1.00 C ATOM 0 H LEU A 39 11.977 7.998 1.541 1.00 1.00 H new ATOM 0 HA LEU A 39 10.101 6.091 2.454 1.00 1.00 H new ATOM 0 HB2 LEU A 39 9.828 8.896 1.282 1.00 1.00 H new ATOM 0 HB3 LEU A 39 8.484 8.009 1.974 1.00 1.00 H new ATOM 0 HG LEU A 39 11.084 8.533 3.488 1.00 1.00 H new ATOM 0 HD11 LEU A 39 9.812 10.332 4.655 1.00 1.00 H new ATOM 0 HD12 LEU A 39 9.950 10.671 2.914 1.00 1.00 H new ATOM 0 HD13 LEU A 39 8.424 10.042 3.580 1.00 1.00 H new ATOM 0 HD21 LEU A 39 9.714 7.968 5.480 1.00 1.00 H new ATOM 0 HD22 LEU A 39 8.311 7.661 4.430 1.00 1.00 H new ATOM 0 HD23 LEU A 39 9.749 6.619 4.321 1.00 1.00 H new ATOM 588 N ASP A 40 10.050 6.795 -0.772 1.00 1.00 N ATOM 589 CA ASP A 40 9.534 6.329 -2.052 1.00 1.00 C ATOM 590 C ASP A 40 8.014 6.212 -2.002 1.00 1.00 C ATOM 591 O ASP A 40 7.425 5.372 -2.681 1.00 1.00 O ATOM 592 CB ASP A 40 10.141 4.968 -2.399 1.00 1.00 C ATOM 593 CG ASP A 40 11.611 5.128 -2.769 1.00 1.00 C ATOM 594 OD1 ASP A 40 12.021 6.250 -3.016 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.306 4.127 -2.802 1.00 1.00 O ATOM 0 H ASP A 40 10.728 7.554 -0.835 1.00 1.00 H new ATOM 0 HA ASP A 40 9.809 7.053 -2.819 1.00 1.00 H new ATOM 0 HB2 ASP A 40 10.043 4.291 -1.551 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.596 4.519 -3.229 1.00 1.00 H new ATOM 600 N THR A 41 7.386 7.058 -1.193 1.00 1.00 N ATOM 601 CA THR A 41 5.934 7.033 -1.056 1.00 1.00 C ATOM 602 C THR A 41 5.273 7.307 -2.400 1.00 1.00 C ATOM 603 O THR A 41 4.182 6.814 -2.669 1.00 1.00 O ATOM 604 CB THR A 41 5.489 8.078 -0.029 1.00 1.00 C ATOM 605 OG1 THR A 41 6.239 7.913 1.164 1.00 1.00 O ATOM 606 CG2 THR A 41 3.997 7.911 0.282 1.00 1.00 C ATOM 0 H THR A 41 7.855 7.765 -0.626 1.00 1.00 H new ATOM 0 HA THR A 41 5.630 6.044 -0.712 1.00 1.00 H new ATOM 0 HB THR A 41 5.658 9.074 -0.438 1.00 1.00 H new ATOM 0 HG1 THR A 41 5.957 8.582 1.823 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.692 8.659 1.013 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.418 8.040 -0.632 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.819 6.915 0.687 1.00 1.00 H new ATOM 614 N VAL A 42 5.947 8.089 -3.236 1.00 1.00 N ATOM 615 CA VAL A 42 5.428 8.421 -4.559 1.00 1.00 C ATOM 616 C VAL A 42 5.267 7.158 -5.404 1.00 1.00 C ATOM 617 O VAL A 42 4.300 7.013 -6.148 1.00 1.00 O ATOM 618 CB VAL A 42 6.371 9.398 -5.261 1.00 1.00 C ATOM 619 CG1 VAL A 42 5.852 9.687 -6.671 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.436 10.703 -4.465 1.00 1.00 C ATOM 0 H VAL A 42 6.853 8.505 -3.022 1.00 1.00 H new ATOM 0 HA VAL A 42 4.451 8.889 -4.440 1.00 1.00 H new ATOM 0 HB VAL A 42 7.367 8.959 -5.324 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.525 10.384 -7.171 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.805 8.758 -7.239 1.00 1.00 H new ATOM 0 HG13 VAL A 42 4.856 10.126 -6.609 1.00 1.00 H new ATOM 0 HG21 VAL A 42 7.108 11.401 -4.964 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.440 11.141 -4.402 1.00 1.00 H new ATOM 0 HG23 VAL A 42 6.806 10.498 -3.460 1.00 1.00 H new ATOM 630 N GLU A 43 6.229 6.254 -5.307 1.00 1.00 N ATOM 631 CA GLU A 43 6.171 5.016 -6.078 1.00 1.00 C ATOM 632 C GLU A 43 5.088 4.077 -5.532 1.00 1.00 C ATOM 633 O GLU A 43 4.301 3.512 -6.293 1.00 1.00 O ATOM 634 CB GLU A 43 7.524 4.308 -6.029 1.00 1.00 C ATOM 635 CG GLU A 43 7.498 3.073 -6.936 1.00 1.00 C ATOM 636 CD GLU A 43 8.859 2.385 -6.920 1.00 1.00 C ATOM 637 OE1 GLU A 43 9.386 2.183 -5.839 1.00 1.00 O ATOM 638 OE2 GLU A 43 9.354 2.071 -7.990 1.00 1.00 O ATOM 0 H GLU A 43 7.051 6.349 -4.711 1.00 1.00 H new ATOM 0 HA GLU A 43 5.924 5.272 -7.108 1.00 1.00 H new ATOM 0 HB2 GLU A 43 8.313 4.989 -6.349 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.754 4.013 -5.005 1.00 1.00 H new ATOM 0 HG2 GLU A 43 6.727 2.380 -6.599 1.00 1.00 H new ATOM 0 HG3 GLU A 43 7.241 3.365 -7.954 1.00 1.00 H new ATOM 645 N ILE A 44 5.078 3.891 -4.211 1.00 1.00 N ATOM 646 CA ILE A 44 4.114 2.986 -3.572 1.00 1.00 C ATOM 647 C ILE A 44 2.674 3.478 -3.721 1.00 1.00 C ATOM 648 O ILE A 44 1.771 2.692 -4.014 1.00 1.00 O ATOM 649 CB ILE A 44 4.421 2.855 -2.077 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.894 2.485 -1.854 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.533 1.762 -1.475 1.00 1.00 C ATOM 652 CD1 ILE A 44 6.254 1.194 -2.591 1.00 1.00 C ATOM 0 H ILE A 44 5.720 4.350 -3.565 1.00 1.00 H new ATOM 0 HA ILE A 44 4.210 2.023 -4.073 1.00 1.00 H new ATOM 0 HB ILE A 44 4.223 3.812 -1.595 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.533 3.297 -2.202 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.085 2.364 -0.788 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.747 1.664 -0.411 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.485 2.029 -1.611 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.734 0.814 -1.974 1.00 1.00 H new ATOM 0 HD11 ILE A 44 7.303 0.955 -2.416 1.00 1.00 H new ATOM 0 HD12 ILE A 44 5.630 0.379 -2.223 1.00 1.00 H new ATOM 0 HD13 ILE A 44 6.086 1.326 -3.660 1.00 1.00 H new ATOM 664 N VAL A 45 2.452 4.770 -3.490 1.00 1.00 N ATOM 665 CA VAL A 45 1.102 5.329 -3.574 1.00 1.00 C ATOM 666 C VAL A 45 0.536 5.155 -4.973 1.00 1.00 C ATOM 667 O VAL A 45 -0.629 4.796 -5.146 1.00 1.00 O ATOM 668 CB VAL A 45 1.122 6.817 -3.221 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.925 7.578 -4.272 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.305 7.353 -3.196 1.00 1.00 C ATOM 0 H VAL A 45 3.178 5.443 -3.246 1.00 1.00 H new ATOM 0 HA VAL A 45 0.471 4.795 -2.864 1.00 1.00 H new ATOM 0 HB VAL A 45 1.581 6.950 -2.241 1.00 1.00 H new ATOM 0 HG11 VAL A 45 1.940 8.639 -4.021 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.946 7.197 -4.296 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.464 7.443 -5.250 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.291 8.413 -2.944 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.761 7.219 -4.177 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -0.884 6.811 -2.449 1.00 1.00 H new ATOM 680 N MET A 46 1.373 5.410 -5.971 1.00 1.00 N ATOM 681 CA MET A 46 0.951 5.278 -7.357 1.00 1.00 C ATOM 682 C MET A 46 0.611 3.828 -7.676 1.00 1.00 C ATOM 683 O MET A 46 -0.342 3.554 -8.406 1.00 1.00 O ATOM 684 CB MET A 46 2.059 5.770 -8.303 1.00 1.00 C ATOM 685 CG MET A 46 2.117 7.309 -8.333 1.00 1.00 C ATOM 686 SD MET A 46 0.513 8.030 -8.802 1.00 1.00 S ATOM 687 CE MET A 46 0.202 7.060 -10.299 1.00 1.00 C ATOM 0 H MET A 46 2.341 5.707 -5.847 1.00 1.00 H new ATOM 0 HA MET A 46 0.061 5.890 -7.502 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.021 5.373 -7.980 1.00 1.00 H new ATOM 0 HB3 MET A 46 1.879 5.390 -9.309 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.411 7.682 -7.352 1.00 1.00 H new ATOM 0 HG3 MET A 46 2.882 7.631 -9.039 1.00 1.00 H new ATOM 0 HE1 MET A 46 -0.517 7.584 -10.929 1.00 1.00 H new ATOM 0 HE2 MET A 46 1.135 6.927 -10.847 1.00 1.00 H new ATOM 0 HE3 MET A 46 -0.200 6.085 -10.024 1.00 1.00 H new ATOM 697 N ASN A 47 1.389 2.902 -7.130 1.00 1.00 N ATOM 698 CA ASN A 47 1.148 1.490 -7.372 1.00 1.00 C ATOM 699 C ASN A 47 -0.235 1.098 -6.855 1.00 1.00 C ATOM 700 O ASN A 47 -0.944 0.306 -7.472 1.00 1.00 O ATOM 701 CB ASN A 47 2.238 0.650 -6.697 1.00 1.00 C ATOM 702 CG ASN A 47 3.473 0.591 -7.586 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.298 1.504 -7.574 1.00 1.00 O ATOM 704 ND2 ASN A 47 3.642 -0.442 -8.362 1.00 1.00 N ATOM 0 H ASN A 47 2.184 3.102 -6.523 1.00 1.00 H new ATOM 0 HA ASN A 47 1.180 1.300 -8.445 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.496 1.082 -5.730 1.00 1.00 H new ATOM 0 HB3 ASN A 47 1.868 -0.357 -6.507 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.463 -0.498 -8.965 1.00 1.00 H new ATOM 0 HD22 ASN A 47 2.954 -1.195 -8.366 1.00 1.00 H new ATOM 711 N LEU A 48 -0.613 1.649 -5.720 1.00 1.00 N ATOM 712 CA LEU A 48 -1.920 1.355 -5.150 1.00 1.00 C ATOM 713 C LEU A 48 -3.011 2.065 -5.949 1.00 1.00 C ATOM 714 O LEU A 48 -4.032 1.471 -6.292 1.00 1.00 O ATOM 715 CB LEU A 48 -1.952 1.811 -3.690 1.00 1.00 C ATOM 716 CG LEU A 48 -0.860 1.067 -2.902 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.565 1.816 -1.609 1.00 1.00 C ATOM 718 CD2 LEU A 48 -1.332 -0.344 -2.544 1.00 1.00 C ATOM 0 H LEU A 48 -0.044 2.297 -5.176 1.00 1.00 H new ATOM 0 HA LEU A 48 -2.101 0.281 -5.194 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.791 2.887 -3.629 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.931 1.610 -3.255 1.00 1.00 H new ATOM 0 HG LEU A 48 0.035 1.009 -3.521 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.209 1.288 -1.051 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -0.221 2.823 -1.843 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.472 1.873 -1.007 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.549 -0.859 -1.987 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -2.232 -0.282 -1.933 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.551 -0.897 -3.457 1.00 1.00 H new ATOM 730 N GLU A 49 -2.783 3.338 -6.251 1.00 1.00 N ATOM 731 CA GLU A 49 -3.756 4.119 -7.004 1.00 1.00 C ATOM 732 C GLU A 49 -3.956 3.536 -8.401 1.00 1.00 C ATOM 733 O GLU A 49 -5.079 3.467 -8.899 1.00 1.00 O ATOM 734 CB GLU A 49 -3.282 5.569 -7.123 1.00 1.00 C ATOM 735 CG GLU A 49 -4.408 6.434 -7.696 1.00 1.00 C ATOM 736 CD GLU A 49 -3.924 7.871 -7.866 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.901 8.201 -7.290 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.582 8.617 -8.572 1.00 1.00 O ATOM 0 H GLU A 49 -1.940 3.848 -5.988 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.706 4.085 -6.470 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.983 5.945 -6.145 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.405 5.623 -7.767 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.732 6.034 -8.657 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -5.272 6.408 -7.032 1.00 1.00 H new ATOM 745 N GLU A 50 -2.860 3.123 -9.035 1.00 1.00 N ATOM 746 CA GLU A 50 -2.940 2.557 -10.377 1.00 1.00 C ATOM 747 C GLU A 50 -3.612 1.181 -10.344 1.00 1.00 C ATOM 748 O GLU A 50 -4.469 0.880 -11.177 1.00 1.00 O ATOM 749 CB GLU A 50 -1.534 2.476 -11.011 1.00 1.00 C ATOM 750 CG GLU A 50 -0.787 1.249 -10.513 1.00 1.00 C ATOM 751 CD GLU A 50 0.659 1.282 -10.993 1.00 1.00 C ATOM 752 OE1 GLU A 50 1.238 2.356 -10.990 1.00 1.00 O ATOM 753 OE2 GLU A 50 1.168 0.235 -11.354 1.00 1.00 O ATOM 0 H GLU A 50 -1.918 3.169 -8.646 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.553 3.212 -10.996 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -1.621 2.438 -12.097 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.968 3.375 -10.768 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.816 1.214 -9.424 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.277 0.345 -10.874 1.00 1.00 H new ATOM 760 N GLU A 51 -3.213 0.351 -9.380 1.00 1.00 N ATOM 761 CA GLU A 51 -3.775 -0.990 -9.249 1.00 1.00 C ATOM 762 C GLU A 51 -5.277 -0.925 -8.994 1.00 1.00 C ATOM 763 O GLU A 51 -6.070 -1.466 -9.765 1.00 1.00 O ATOM 764 CB GLU A 51 -3.090 -1.717 -8.089 1.00 1.00 C ATOM 765 CG GLU A 51 -3.504 -3.189 -8.077 1.00 1.00 C ATOM 766 CD GLU A 51 -2.877 -3.913 -9.264 1.00 1.00 C ATOM 767 OE1 GLU A 51 -2.057 -3.309 -9.933 1.00 1.00 O ATOM 768 OE2 GLU A 51 -3.223 -5.061 -9.482 1.00 1.00 O ATOM 0 H GLU A 51 -2.506 0.584 -8.682 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.605 -1.532 -10.179 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -2.007 -1.636 -8.187 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.361 -1.247 -7.144 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -3.187 -3.658 -7.145 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -4.590 -3.271 -8.122 1.00 1.00 H new ATOM 775 N PHE A 52 -5.664 -0.256 -7.913 1.00 1.00 N ATOM 776 CA PHE A 52 -7.078 -0.123 -7.578 1.00 1.00 C ATOM 777 C PHE A 52 -7.780 0.763 -8.598 1.00 1.00 C ATOM 778 O PHE A 52 -8.948 0.548 -8.926 1.00 1.00 O ATOM 779 CB PHE A 52 -7.241 0.455 -6.174 1.00 1.00 C ATOM 780 CG PHE A 52 -6.767 -0.555 -5.152 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.440 -1.777 -5.008 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.642 -0.282 -4.364 1.00 1.00 C ATOM 783 CE1 PHE A 52 -6.992 -2.713 -4.069 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.196 -1.218 -3.433 1.00 1.00 C ATOM 785 CZ PHE A 52 -5.868 -2.432 -3.285 1.00 1.00 C ATOM 0 H PHE A 52 -5.026 0.198 -7.260 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.535 -1.112 -7.601 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.669 1.378 -6.081 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -8.286 0.708 -5.993 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -8.302 -1.995 -5.621 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -5.119 0.656 -4.478 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -7.513 -3.651 -3.950 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.329 -1.004 -2.825 1.00 1.00 H new ATOM 0 HZ PHE A 52 -5.520 -3.156 -2.564 1.00 1.00 H new ATOM 795 N GLY A 53 -7.060 1.765 -9.094 1.00 1.00 N ATOM 796 CA GLY A 53 -7.620 2.686 -10.076 1.00 1.00 C ATOM 797 C GLY A 53 -8.393 3.803 -9.387 1.00 1.00 C ATOM 798 O GLY A 53 -9.354 4.338 -9.940 1.00 1.00 O ATOM 0 H GLY A 53 -6.093 1.959 -8.834 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.819 3.111 -10.681 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -8.280 2.145 -10.754 1.00 1.00 H new ATOM 802 N ILE A 54 -7.969 4.147 -8.170 1.00 1.00 N ATOM 803 CA ILE A 54 -8.630 5.202 -7.408 1.00 1.00 C ATOM 804 C ILE A 54 -7.876 6.519 -7.554 1.00 1.00 C ATOM 805 O ILE A 54 -7.068 6.684 -8.467 1.00 1.00 O ATOM 806 CB ILE A 54 -8.692 4.805 -5.933 1.00 1.00 C ATOM 807 CG1 ILE A 54 -7.276 4.486 -5.439 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.599 3.583 -5.765 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.283 4.129 -3.950 1.00 1.00 C ATOM 0 H ILE A 54 -7.177 3.713 -7.696 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.640 5.334 -7.795 1.00 1.00 H new ATOM 0 HB ILE A 54 -9.101 5.627 -5.346 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.865 3.656 -6.014 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.626 5.344 -5.608 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.641 3.303 -4.712 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.602 3.823 -6.117 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -9.200 2.751 -6.346 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.267 3.907 -3.624 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.672 4.970 -3.376 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -7.915 3.256 -3.788 1.00 1.00 H new ATOM 821 N ASN A 55 -8.148 7.455 -6.648 1.00 1.00 N ATOM 822 CA ASN A 55 -7.498 8.762 -6.672 1.00 1.00 C ATOM 823 C ASN A 55 -7.100 9.170 -5.257 1.00 1.00 C ATOM 824 O ASN A 55 -7.820 9.908 -4.584 1.00 1.00 O ATOM 825 CB ASN A 55 -8.451 9.800 -7.261 1.00 1.00 C ATOM 826 CG ASN A 55 -9.694 9.929 -6.387 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.232 8.858 -5.871 1.00 1.00 O flip ATOM 828 ND2 ASN A 55 -10.184 11.035 -6.162 1.00 1.00 N flip ATOM 0 H ASN A 55 -8.816 7.332 -5.887 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.602 8.705 -7.291 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.949 10.764 -7.336 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.737 9.510 -8.272 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -9.762 11.871 -6.566 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -11.012 11.116 -5.571 1.00 1.00 H new ATOM 835 N VAL A 56 -5.947 8.682 -4.808 1.00 1.00 N ATOM 836 CA VAL A 56 -5.459 8.999 -3.469 1.00 1.00 C ATOM 837 C VAL A 56 -4.535 10.212 -3.520 1.00 1.00 C ATOM 838 O VAL A 56 -3.580 10.249 -4.297 1.00 1.00 O ATOM 839 CB VAL A 56 -4.707 7.796 -2.894 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.413 7.576 -3.673 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.380 8.050 -1.419 1.00 1.00 C ATOM 0 H VAL A 56 -5.336 8.069 -5.348 1.00 1.00 H new ATOM 0 HA VAL A 56 -6.309 9.231 -2.828 1.00 1.00 H new ATOM 0 HB VAL A 56 -5.334 6.908 -2.978 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.881 6.719 -3.260 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -3.647 7.388 -4.721 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -2.786 8.464 -3.595 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.845 7.192 -1.012 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -3.757 8.941 -1.332 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -5.305 8.198 -0.862 1.00 1.00 H new ATOM 851 N ASP A 57 -4.832 11.208 -2.695 1.00 1.00 N ATOM 852 CA ASP A 57 -4.030 12.425 -2.656 1.00 1.00 C ATOM 853 C ASP A 57 -2.799 12.234 -1.775 1.00 1.00 C ATOM 854 O ASP A 57 -2.768 11.350 -0.919 1.00 1.00 O ATOM 855 CB ASP A 57 -4.869 13.584 -2.121 1.00 1.00 C ATOM 856 CG ASP A 57 -4.132 14.903 -2.333 1.00 1.00 C ATOM 857 OD1 ASP A 57 -3.164 14.905 -3.076 1.00 1.00 O ATOM 858 OD2 ASP A 57 -4.548 15.892 -1.753 1.00 1.00 O ATOM 0 H ASP A 57 -5.619 11.198 -2.046 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.701 12.651 -3.670 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.833 13.611 -2.629 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -5.072 13.438 -1.060 1.00 1.00 H new ATOM 863 N GLU A 58 -1.790 13.070 -1.991 1.00 1.00 N ATOM 864 CA GLU A 58 -0.563 12.990 -1.209 1.00 1.00 C ATOM 865 C GLU A 58 -0.857 13.232 0.268 1.00 1.00 C ATOM 866 O GLU A 58 -0.127 12.766 1.138 1.00 1.00 O ATOM 867 CB GLU A 58 0.438 14.041 -1.700 1.00 1.00 C ATOM 868 CG GLU A 58 0.859 13.727 -3.139 1.00 1.00 C ATOM 869 CD GLU A 58 1.640 12.419 -3.186 1.00 1.00 C ATOM 870 OE1 GLU A 58 2.139 12.013 -2.150 1.00 1.00 O ATOM 871 OE2 GLU A 58 1.726 11.842 -4.257 1.00 1.00 O ATOM 0 H GLU A 58 -1.797 13.806 -2.697 1.00 1.00 H new ATOM 0 HA GLU A 58 -0.140 11.993 -1.332 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -0.010 15.033 -1.651 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.313 14.054 -1.050 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -0.023 13.656 -3.776 1.00 1.00 H new ATOM 0 HG3 GLU A 58 1.471 14.539 -3.532 1.00 1.00 H new ATOM 878 N ASP A 59 -1.932 13.967 0.541 1.00 1.00 N ATOM 879 CA ASP A 59 -2.311 14.265 1.917 1.00 1.00 C ATOM 880 C ASP A 59 -2.837 13.018 2.600 1.00 1.00 C ATOM 881 O ASP A 59 -2.785 12.893 3.823 1.00 1.00 O ATOM 882 CB ASP A 59 -3.392 15.347 1.944 1.00 1.00 C ATOM 883 CG ASP A 59 -2.795 16.695 1.550 1.00 1.00 C ATOM 884 OD1 ASP A 59 -1.579 16.803 1.540 1.00 1.00 O ATOM 885 OD2 ASP A 59 -3.561 17.601 1.267 1.00 1.00 O ATOM 0 H ASP A 59 -2.551 14.364 -0.166 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.427 14.621 2.447 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -4.198 15.084 1.259 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.828 15.411 2.941 1.00 1.00 H new ATOM 890 N LYS A 60 -3.353 12.093 1.796 1.00 1.00 N ATOM 891 CA LYS A 60 -3.897 10.845 2.316 1.00 1.00 C ATOM 892 C LYS A 60 -2.822 9.755 2.327 1.00 1.00 C ATOM 893 O LYS A 60 -3.011 8.696 2.919 1.00 1.00 O ATOM 894 CB LYS A 60 -5.108 10.408 1.448 1.00 1.00 C ATOM 895 CG LYS A 60 -6.445 10.538 2.211 1.00 1.00 C ATOM 896 CD LYS A 60 -6.474 9.570 3.407 1.00 1.00 C ATOM 897 CE LYS A 60 -7.921 9.270 3.808 1.00 1.00 C ATOM 898 NZ LYS A 60 -7.943 8.668 5.171 1.00 1.00 N ATOM 0 H LYS A 60 -3.405 12.185 0.782 1.00 1.00 H new ATOM 0 HA LYS A 60 -4.231 11.000 3.342 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.145 11.017 0.545 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.971 9.375 1.130 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -6.574 11.562 2.560 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.277 10.323 1.540 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -5.961 8.644 3.147 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.938 10.006 4.250 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.511 10.186 3.794 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -8.375 8.587 3.090 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -8.683 7.938 5.216 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -7.019 8.237 5.375 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -8.143 9.408 5.874 1.00 1.00 H new ATOM 912 N ALA A 61 -1.693 10.021 1.667 1.00 1.00 N ATOM 913 CA ALA A 61 -0.590 9.053 1.610 1.00 1.00 C ATOM 914 C ALA A 61 0.692 9.678 2.147 1.00 1.00 C ATOM 915 O ALA A 61 1.762 9.506 1.571 1.00 1.00 O ATOM 916 CB ALA A 61 -0.369 8.586 0.165 1.00 1.00 C ATOM 0 H ALA A 61 -1.517 10.892 1.167 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.853 8.194 2.228 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.451 7.869 0.136 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -1.278 8.113 -0.208 1.00 1.00 H new ATOM 0 HB3 ALA A 61 -0.123 9.444 -0.461 1.00 1.00 H new ATOM 922 N GLN A 62 0.574 10.410 3.255 1.00 1.00 N ATOM 923 CA GLN A 62 1.730 11.068 3.876 1.00 1.00 C ATOM 924 C GLN A 62 1.971 10.531 5.286 1.00 1.00 C ATOM 925 O GLN A 62 3.113 10.422 5.732 1.00 1.00 O ATOM 926 CB GLN A 62 1.493 12.578 3.941 1.00 1.00 C ATOM 927 CG GLN A 62 0.248 12.866 4.778 1.00 1.00 C ATOM 928 CD GLN A 62 -0.077 14.357 4.735 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.437 15.080 3.882 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.901 14.862 5.613 1.00 1.00 N ATOM 0 H GLN A 62 -0.309 10.564 3.743 1.00 1.00 H new ATOM 0 HA GLN A 62 2.610 10.858 3.268 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.360 13.074 4.378 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.369 12.980 2.936 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.596 12.290 4.399 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.412 12.551 5.808 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.326 14.260 6.319 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -1.120 15.858 5.593 1.00 1.00 H new ATOM 939 N ASP A 63 0.885 10.204 5.991 1.00 1.00 N ATOM 940 CA ASP A 63 0.988 9.687 7.363 1.00 1.00 C ATOM 941 C ASP A 63 0.046 8.505 7.580 1.00 1.00 C ATOM 942 O ASP A 63 -0.706 8.471 8.554 1.00 1.00 O ATOM 943 CB ASP A 63 0.650 10.794 8.362 1.00 1.00 C ATOM 944 CG ASP A 63 0.977 10.337 9.780 1.00 1.00 C ATOM 945 OD1 ASP A 63 2.089 9.883 9.994 1.00 1.00 O ATOM 946 OD2 ASP A 63 0.113 10.452 10.635 1.00 1.00 O ATOM 0 H ASP A 63 -0.069 10.286 5.641 1.00 1.00 H new ATOM 0 HA ASP A 63 2.012 9.347 7.519 1.00 1.00 H new ATOM 0 HB2 ASP A 63 1.214 11.695 8.123 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -0.407 11.051 8.289 1.00 1.00 H new ATOM 951 N ILE A 64 0.098 7.535 6.671 1.00 1.00 N ATOM 952 CA ILE A 64 -0.744 6.344 6.773 1.00 1.00 C ATOM 953 C ILE A 64 -0.055 5.272 7.602 1.00 1.00 C ATOM 954 O ILE A 64 1.105 4.935 7.367 1.00 1.00 O ATOM 955 CB ILE A 64 -1.043 5.798 5.373 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.867 6.827 4.575 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.808 4.477 5.476 1.00 1.00 C ATOM 958 CD1 ILE A 64 -3.204 7.142 5.278 1.00 1.00 C ATOM 0 H ILE A 64 0.712 7.549 5.857 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.677 6.620 7.263 1.00 1.00 H new ATOM 0 HB ILE A 64 -0.102 5.618 4.854 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -1.291 7.745 4.457 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -2.062 6.442 3.574 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -2.015 4.098 4.475 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.207 3.750 6.022 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.747 4.641 6.004 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.761 7.871 4.690 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.790 6.228 5.372 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -3.007 7.550 6.269 1.00 1.00 H new ATOM 970 N SER A 65 -0.791 4.736 8.563 1.00 1.00 N ATOM 971 CA SER A 65 -0.274 3.689 9.431 1.00 1.00 C ATOM 972 C SER A 65 0.071 2.454 8.604 1.00 1.00 C ATOM 973 O SER A 65 0.115 2.519 7.378 1.00 1.00 O ATOM 974 CB SER A 65 -1.293 3.353 10.518 1.00 1.00 C ATOM 975 OG SER A 65 -1.172 4.299 11.570 1.00 1.00 O ATOM 0 H SER A 65 -1.753 5.010 8.762 1.00 1.00 H new ATOM 0 HA SER A 65 0.635 4.042 9.918 1.00 1.00 H new ATOM 0 HB2 SER A 65 -2.303 3.373 10.107 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.122 2.345 10.896 1.00 1.00 H new ATOM 0 HG SER A 65 -2.024 4.769 11.687 1.00 1.00 H new ATOM 981 N THR A 66 0.348 1.346 9.284 1.00 1.00 N ATOM 982 CA THR A 66 0.710 0.108 8.603 1.00 1.00 C ATOM 983 C THR A 66 -0.248 -0.183 7.453 1.00 1.00 C ATOM 984 O THR A 66 -1.112 0.627 7.121 1.00 1.00 O ATOM 985 CB THR A 66 0.701 -1.058 9.603 1.00 1.00 C ATOM 986 OG1 THR A 66 1.284 -2.205 9.003 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.726 -1.406 10.019 1.00 1.00 C ATOM 0 H THR A 66 0.329 1.280 10.302 1.00 1.00 H new ATOM 0 HA THR A 66 1.712 0.223 8.190 1.00 1.00 H new ATOM 0 HB THR A 66 1.270 -0.754 10.482 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.591 -2.880 8.845 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.707 -2.234 10.727 1.00 1.00 H new ATOM 0 HG22 THR A 66 -1.190 -0.538 10.488 1.00 1.00 H new ATOM 0 HG23 THR A 66 -1.301 -1.694 9.139 1.00 1.00 H new ATOM 995 N ILE A 67 -0.090 -1.344 6.844 1.00 1.00 N ATOM 996 CA ILE A 67 -0.935 -1.720 5.721 1.00 1.00 C ATOM 997 C ILE A 67 -2.398 -1.783 6.150 1.00 1.00 C ATOM 998 O ILE A 67 -3.284 -1.329 5.427 1.00 1.00 O ATOM 999 CB ILE A 67 -0.485 -3.069 5.162 1.00 1.00 C ATOM 1000 CG1 ILE A 67 0.906 -2.914 4.524 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.485 -3.562 4.113 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.489 -4.301 4.231 1.00 1.00 C ATOM 0 H ILE A 67 0.609 -2.039 7.104 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.840 -0.964 4.941 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.437 -3.798 5.971 1.00 1.00 H new ATOM 0 HG12 ILE A 67 0.833 -2.336 3.603 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.566 -2.364 5.194 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.156 -4.524 3.720 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.468 -3.674 4.571 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.545 -2.839 3.299 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.475 -4.193 3.779 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.576 -4.863 5.161 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.831 -4.835 3.545 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.642 -2.350 7.324 1.00 1.00 N ATOM 1015 CA GLN A 68 -4.005 -2.469 7.837 1.00 1.00 C ATOM 1016 C GLN A 68 -4.806 -1.190 7.578 1.00 1.00 C ATOM 1017 O GLN A 68 -5.887 -1.239 6.991 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.968 -2.755 9.342 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.384 -4.149 9.587 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.433 -5.215 9.278 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -4.625 -5.594 8.045 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -5.109 -5.702 10.185 1.00 1.00 N flip ATOM 0 H GLN A 68 -1.922 -2.733 7.937 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.494 -3.292 7.316 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.365 -2.003 9.850 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.973 -2.693 9.759 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.505 -4.299 8.961 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.056 -4.238 10.623 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.958 -5.405 11.149 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -5.819 -6.402 9.972 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.280 -0.050 8.021 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.967 1.222 7.833 1.00 1.00 C ATOM 1033 C GLN A 69 -5.025 1.606 6.357 1.00 1.00 C ATOM 1034 O GLN A 69 -6.026 2.149 5.887 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.237 2.324 8.607 1.00 1.00 C ATOM 1036 CG GLN A 69 -5.196 3.480 8.865 1.00 1.00 C ATOM 1037 CD GLN A 69 -4.442 4.679 9.428 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -4.157 4.730 10.626 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -4.089 5.650 8.629 1.00 1.00 N ATOM 0 H GLN A 69 -3.387 0.017 8.509 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.985 1.112 8.206 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.860 1.932 9.552 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -3.374 2.672 8.039 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -5.697 3.760 7.938 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -5.972 3.169 9.565 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.326 5.606 7.638 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -3.577 6.452 8.996 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.942 1.338 5.640 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.878 1.683 4.223 1.00 1.00 C ATOM 1050 C ALA A 70 -5.003 1.008 3.460 1.00 1.00 C ATOM 1051 O ALA A 70 -5.592 1.593 2.550 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.537 1.243 3.640 1.00 1.00 C ATOM 0 H ALA A 70 -3.104 0.888 6.009 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.982 2.764 4.127 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.497 1.504 2.582 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.728 1.746 4.169 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.428 0.164 3.752 1.00 1.00 H new ATOM 1058 N ALA A 71 -5.301 -0.222 3.842 1.00 1.00 N ATOM 1059 CA ALA A 71 -6.362 -0.970 3.195 1.00 1.00 C ATOM 1060 C ALA A 71 -7.700 -0.275 3.411 1.00 1.00 C ATOM 1061 O ALA A 71 -8.523 -0.192 2.497 1.00 1.00 O ATOM 1062 CB ALA A 71 -6.417 -2.377 3.778 1.00 1.00 C ATOM 0 H ALA A 71 -4.825 -0.721 4.594 1.00 1.00 H new ATOM 0 HA ALA A 71 -6.160 -1.024 2.125 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -7.214 -2.941 3.293 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -5.464 -2.878 3.610 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -6.613 -2.320 4.849 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.907 0.230 4.622 1.00 1.00 N ATOM 1069 CA ASP A 72 -9.146 0.921 4.949 1.00 1.00 C ATOM 1070 C ASP A 72 -9.291 2.191 4.109 1.00 1.00 C ATOM 1071 O ASP A 72 -10.379 2.504 3.624 1.00 1.00 O ATOM 1072 CB ASP A 72 -9.169 1.294 6.437 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.379 0.052 7.296 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.403 -0.591 7.134 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.514 -0.232 8.107 1.00 1.00 O ATOM 0 H ASP A 72 -7.236 0.174 5.389 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.977 0.250 4.729 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.232 1.779 6.711 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.966 2.013 6.625 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.186 2.918 3.945 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.205 4.155 3.166 1.00 1.00 C ATOM 1082 C VAL A 73 -8.634 3.863 1.729 1.00 1.00 C ATOM 1083 O VAL A 73 -9.454 4.579 1.158 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.809 4.806 3.183 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.721 5.911 2.121 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.546 5.425 4.565 1.00 1.00 C ATOM 0 H VAL A 73 -7.276 2.675 4.336 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.922 4.845 3.611 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.066 4.038 2.968 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.729 6.361 2.146 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.901 5.483 1.135 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.471 6.675 2.327 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.558 5.885 4.576 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -7.301 6.183 4.774 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.592 4.647 5.327 1.00 1.00 H new ATOM 1096 N ILE A 74 -8.071 2.809 1.153 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.398 2.435 -0.217 1.00 1.00 C ATOM 1098 C ILE A 74 -9.873 2.062 -0.327 1.00 1.00 C ATOM 1099 O ILE A 74 -10.559 2.475 -1.261 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.492 1.268 -0.651 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -6.102 1.828 -1.031 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -8.100 0.531 -1.855 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -5.023 0.776 -0.792 1.00 1.00 C ATOM 0 H ILE A 74 -7.390 2.201 1.609 1.00 1.00 H new ATOM 0 HA ILE A 74 -8.223 3.281 -0.882 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.398 0.561 0.173 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -6.098 2.131 -2.078 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.888 2.719 -0.441 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -7.446 -0.290 -2.147 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -9.079 0.136 -1.583 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -8.207 1.224 -2.689 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -4.050 1.185 -1.064 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -5.017 0.494 0.261 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -5.231 -0.103 -1.402 1.00 1.00 H new ATOM 1115 N GLU A 75 -10.354 1.291 0.634 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.746 0.880 0.637 1.00 1.00 C ATOM 1117 C GLU A 75 -12.666 2.091 0.526 1.00 1.00 C ATOM 1118 O GLU A 75 -13.688 2.041 -0.158 1.00 1.00 O ATOM 1119 CB GLU A 75 -12.040 0.104 1.922 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.408 -1.284 1.818 1.00 1.00 C ATOM 1121 CD GLU A 75 -12.215 -2.136 0.843 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -13.280 -1.695 0.444 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.758 -3.213 0.510 1.00 1.00 O ATOM 0 H GLU A 75 -9.804 0.939 1.418 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.930 0.238 -0.225 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.639 0.637 2.784 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -13.116 0.018 2.072 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -10.376 -1.201 1.478 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -11.383 -1.759 2.799 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.294 3.182 1.186 1.00 1.00 N ATOM 1131 CA GLY A 76 -13.096 4.401 1.131 1.00 1.00 C ATOM 1132 C GLY A 76 -12.868 5.146 -0.177 1.00 1.00 C ATOM 1133 O GLY A 76 -13.691 5.962 -0.581 1.00 1.00 O ATOM 0 H GLY A 76 -11.453 3.249 1.759 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -14.152 4.151 1.232 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.840 5.047 1.971 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.747 4.862 -0.841 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.431 5.509 -2.116 1.00 1.00 C ATOM 1139 C LEU A 77 -12.010 4.703 -3.280 1.00 1.00 C ATOM 1140 O LEU A 77 -12.029 5.167 -4.421 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.914 5.650 -2.264 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.375 6.652 -1.227 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.848 6.551 -1.168 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.764 8.092 -1.619 1.00 1.00 C ATOM 0 H LEU A 77 -11.047 4.193 -0.521 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.880 6.502 -2.131 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.435 4.680 -2.128 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.668 5.988 -3.271 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.807 6.415 -0.255 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.465 7.260 -0.434 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.561 5.540 -0.880 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.430 6.781 -2.148 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.376 8.789 -0.876 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.342 8.330 -2.595 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.850 8.176 -1.663 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.493 3.497 -2.973 1.00 1.00 N ATOM 1157 CA LEU A 78 -13.091 2.617 -3.984 1.00 1.00 C ATOM 1158 C LEU A 78 -14.608 2.815 -4.054 1.00 1.00 C ATOM 1159 O LEU A 78 -15.263 2.321 -4.973 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.793 1.148 -3.634 1.00 1.00 C ATOM 1161 CG LEU A 78 -11.366 0.753 -4.054 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.971 -0.552 -3.352 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -11.290 0.543 -5.579 1.00 1.00 C ATOM 0 H LEU A 78 -12.482 3.105 -2.031 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.658 2.868 -4.952 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.914 0.995 -2.562 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.514 0.500 -4.132 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.685 1.555 -3.770 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.960 -0.833 -3.648 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -11.006 -0.409 -2.272 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.666 -1.343 -3.636 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -10.274 0.264 -5.858 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.977 -0.251 -5.872 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.565 1.467 -6.088 1.00 1.00 H new ATOM 1175 N GLU A 79 -15.164 3.528 -3.079 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.606 3.765 -3.045 1.00 1.00 C ATOM 1177 C GLU A 79 -17.033 4.577 -4.247 1.00 1.00 C ATOM 1178 O GLU A 79 -17.974 4.219 -4.959 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.987 4.488 -1.749 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.372 5.882 -1.744 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.334 6.438 -0.323 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -16.898 5.805 0.554 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -15.737 7.484 -0.135 1.00 1.00 O ATOM 0 H GLU A 79 -14.645 3.949 -2.308 1.00 1.00 H new ATOM 0 HA GLU A 79 -17.122 2.805 -3.076 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -18.071 4.557 -1.664 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -16.635 3.921 -0.887 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -15.363 5.843 -2.154 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -16.952 6.545 -2.386 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.323 5.661 -4.476 1.00 1.00 N ATOM 1191 CA LYS A 80 -16.604 6.534 -5.607 1.00 1.00 C ATOM 1192 C LYS A 80 -15.704 6.187 -6.786 1.00 1.00 C ATOM 1193 O LYS A 80 -16.156 6.098 -7.929 1.00 1.00 O ATOM 1194 CB LYS A 80 -16.417 8.002 -5.184 1.00 1.00 C ATOM 1195 CG LYS A 80 -14.938 8.461 -5.210 1.00 1.00 C ATOM 1196 CD LYS A 80 -14.059 7.753 -4.157 1.00 1.00 C ATOM 1197 CE LYS A 80 -14.309 8.345 -2.763 1.00 1.00 C ATOM 1198 NZ LYS A 80 -14.056 9.817 -2.784 1.00 1.00 N ATOM 0 H LYS A 80 -15.542 5.964 -3.894 1.00 1.00 H new ATOM 0 HA LYS A 80 -17.637 6.390 -5.924 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -17.001 8.641 -5.846 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -16.815 8.137 -4.178 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -14.525 8.276 -6.202 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -14.896 9.537 -5.043 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -14.278 6.685 -4.150 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -13.007 7.861 -4.421 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -15.335 8.148 -2.453 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -13.658 7.865 -2.032 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -13.759 10.132 -1.838 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -13.305 10.030 -3.471 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -14.927 10.315 -3.057 1.00 1.00 H new ATOM 1212 N LYS A 81 -14.425 5.997 -6.491 1.00 1.00 N ATOM 1213 CA LYS A 81 -13.450 5.667 -7.511 1.00 1.00 C ATOM 1214 C LYS A 81 -13.620 6.574 -8.724 1.00 1.00 C ATOM 1215 O LYS A 81 -14.252 6.200 -9.712 1.00 1.00 O ATOM 1216 CB LYS A 81 -13.603 4.208 -7.909 1.00 1.00 C ATOM 1217 CG LYS A 81 -12.486 3.827 -8.887 1.00 1.00 C ATOM 1218 CD LYS A 81 -12.576 2.338 -9.234 1.00 1.00 C ATOM 1219 CE LYS A 81 -11.437 1.965 -10.187 1.00 1.00 C ATOM 1220 NZ LYS A 81 -11.581 2.720 -11.462 1.00 1.00 N ATOM 0 H LYS A 81 -14.041 6.067 -5.548 1.00 1.00 H new ATOM 0 HA LYS A 81 -12.448 5.822 -7.110 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -13.560 3.572 -7.025 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -14.577 4.046 -8.371 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -12.567 4.425 -9.794 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -11.514 4.047 -8.445 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -12.516 1.738 -8.326 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -13.538 2.119 -9.697 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -10.476 2.191 -9.726 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -11.452 0.893 -10.384 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -11.346 2.098 -12.262 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -12.561 3.054 -11.559 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -10.936 3.536 -11.457 1.00 1.00 H new ATOM 1234 N ALA A 82 -13.053 7.771 -8.632 1.00 1.00 N ATOM 1235 CA ALA A 82 -13.143 8.736 -9.716 1.00 1.00 C ATOM 1236 C ALA A 82 -12.365 8.246 -10.932 1.00 1.00 C ATOM 1237 O ALA A 82 -12.988 7.710 -11.832 1.00 1.00 O ATOM 1238 CB ALA A 82 -12.586 10.084 -9.255 1.00 1.00 C ATOM 1239 OXT ALA A 82 -11.156 8.416 -10.946 1.00 1.00 O ATOM 0 H ALA A 82 -12.528 8.094 -7.819 1.00 1.00 H new ATOM 0 HA ALA A 82 -14.190 8.852 -9.995 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -12.655 10.804 -10.070 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -13.163 10.444 -8.403 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -11.543 9.966 -8.963 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 15.588 6.951 -0.607 1.00 1.00 O HETATM 1247 P24 PNS A 101 17.011 6.199 -0.656 1.00 1.00 P HETATM 1248 O25 PNS A 101 18.077 7.220 -0.531 1.00 1.00 O HETATM 1249 O26 PNS A 101 16.966 5.060 0.285 1.00 1.00 O HETATM 1250 O27 PNS A 101 17.046 5.615 -2.156 1.00 1.00 O HETATM 1251 C28 PNS A 101 18.286 5.314 -2.783 1.00 1.00 C HETATM 1252 C29 PNS A 101 18.079 5.217 -4.299 1.00 1.00 C HETATM 1253 C30 PNS A 101 19.385 4.810 -4.978 1.00 1.00 C HETATM 1254 C31 PNS A 101 17.621 6.584 -4.828 1.00 1.00 C HETATM 1255 C32 PNS A 101 17.031 4.155 -4.619 1.00 1.00 C HETATM 1256 O33 PNS A 101 15.828 4.493 -3.947 1.00 1.00 O HETATM 1257 C34 PNS A 101 16.778 4.096 -6.123 1.00 1.00 C HETATM 1258 O35 PNS A 101 16.049 4.922 -6.673 1.00 1.00 O HETATM 1259 N36 PNS A 101 17.385 3.114 -6.782 1.00 1.00 N HETATM 1260 C37 PNS A 101 17.219 2.956 -8.223 1.00 1.00 C HETATM 1261 C38 PNS A 101 15.817 2.432 -8.540 1.00 1.00 C HETATM 1262 C39 PNS A 101 15.440 1.330 -7.558 1.00 1.00 C HETATM 1263 O40 PNS A 101 16.229 0.420 -7.296 1.00 1.00 O HETATM 1264 N41 PNS A 101 14.230 1.416 -7.016 1.00 1.00 N HETATM 1265 C42 PNS A 101 13.758 0.419 -6.063 1.00 1.00 C HETATM 1266 C43 PNS A 101 14.718 0.330 -4.872 1.00 1.00 C HETATM 1267 S44 PNS A 101 13.833 -0.270 -3.437 1.00 1.00 S HETATM 0 H432 PNS A 101 15.546 -0.338 -5.108 1.00 1.00 H new HETATM 0 H431 PNS A 101 15.148 1.310 -4.664 1.00 1.00 H new HETATM 0 H422 PNS A 101 13.681 -0.553 -6.551 1.00 1.00 H new HETATM 0 H421 PNS A 101 12.759 0.682 -5.715 1.00 1.00 H new HETATM 0 H382 PNS A 101 15.785 2.049 -9.560 1.00 1.00 H new HETATM 0 H381 PNS A 101 15.094 3.245 -8.482 1.00 1.00 H new HETATM 0 H372 PNS A 101 17.969 2.266 -8.609 1.00 1.00 H new HETATM 0 H371 PNS A 101 17.379 3.912 -8.722 1.00 1.00 H new HETATM 0 H313 PNS A 101 17.471 6.525 -5.906 1.00 1.00 H new HETATM 0 H312 PNS A 101 18.382 7.333 -4.608 1.00 1.00 H new HETATM 0 H311 PNS A 101 16.685 6.866 -4.346 1.00 1.00 H new HETATM 0 H303 PNS A 101 19.230 4.743 -6.055 1.00 1.00 H new HETATM 0 H302 PNS A 101 19.706 3.841 -4.597 1.00 1.00 H new HETATM 0 H301 PNS A 101 20.152 5.555 -4.767 1.00 1.00 H new HETATM 0 H282 PNS A 101 18.682 4.374 -2.398 1.00 1.00 H new HETATM 0 H281 PNS A 101 19.019 6.087 -2.554 1.00 1.00 H new HETATM 0 H41 PNS A 101 13.621 2.193 -7.271 1.00 1.00 H new HETATM 0 H36 PNS A 101 17.977 2.459 -6.271 1.00 1.00 H new HETATM 0 H33 PNS A 101 16.000 4.566 -2.985 1.00 1.00 H new HETATM 0 H32 PNS A 101 17.387 3.179 -4.290 1.00 1.00 H new HETATM 1288 C1 STE A 102 13.317 0.943 -2.302 1.00 1.00 C HETATM 1289 O1 STE A 102 13.532 2.125 -2.454 1.00 1.00 O HETATM 1290 C2 STE A 102 12.586 0.343 -1.140 1.00 1.00 C HETATM 1291 C3 STE A 102 11.655 1.385 -0.516 1.00 1.00 C HETATM 1292 C4 STE A 102 11.149 0.871 0.833 1.00 1.00 C HETATM 1293 C5 STE A 102 10.002 1.761 1.320 1.00 1.00 C HETATM 1294 C6 STE A 102 9.629 1.386 2.764 1.00 1.00 C HETATM 1295 C7 STE A 102 8.211 1.870 3.082 1.00 1.00 C HETATM 1296 C8 STE A 102 8.167 3.402 3.067 1.00 1.00 C HETATM 1297 C9 STE A 102 6.788 3.896 3.533 1.00 1.00 C HETATM 1298 C10 STE A 102 5.794 3.856 2.368 1.00 1.00 C HETATM 1299 C11 STE A 102 4.437 4.382 2.837 1.00 1.00 C HETATM 1300 C12 STE A 102 3.364 4.022 1.809 1.00 1.00 C HETATM 1301 C13 STE A 102 1.998 4.488 2.313 1.00 1.00 C HETATM 1302 C14 STE A 102 0.895 3.839 1.476 1.00 1.00 C HETATM 1303 C15 STE A 102 -0.430 4.561 1.720 1.00 1.00 C HETATM 1304 C16 STE A 102 -1.481 4.007 0.764 1.00 1.00 C HETATM 1305 C17 STE A 102 -2.788 4.785 0.906 1.00 1.00 C HETATM 1306 C18 STE A 102 -3.744 4.387 -0.224 1.00 1.00 C HETATM 0 H183 STE A 102 -3.286 4.618 -1.186 1.00 1.00 H new HETATM 0 H182 STE A 102 -3.949 3.318 -0.167 1.00 1.00 H new HETATM 0 H181 STE A 102 -4.677 4.942 -0.124 1.00 1.00 H new HETATM 0 H172 STE A 102 -3.245 4.577 1.874 1.00 1.00 H new HETATM 0 H171 STE A 102 -2.592 5.857 0.870 1.00 1.00 H new HETATM 0 H162 STE A 102 -1.120 4.073 -0.262 1.00 1.00 H new HETATM 0 H161 STE A 102 -1.653 2.951 0.974 1.00 1.00 H new HETATM 0 H152 STE A 102 -0.750 4.422 2.753 1.00 1.00 H new HETATM 0 H151 STE A 102 -0.308 5.633 1.566 1.00 1.00 H new HETATM 0 H142 STE A 102 1.155 3.883 0.418 1.00 1.00 H new HETATM 0 H141 STE A 102 0.799 2.785 1.737 1.00 1.00 H new HETATM 0 H132 STE A 102 1.876 4.222 3.363 1.00 1.00 H new HETATM 0 H131 STE A 102 1.926 5.574 2.249 1.00 1.00 H new HETATM 0 H122 STE A 102 3.590 4.492 0.852 1.00 1.00 H new HETATM 0 H121 STE A 102 3.353 2.945 1.641 1.00 1.00 H new HETATM 0 H112 STE A 102 4.185 3.953 3.807 1.00 1.00 H new HETATM 0 H111 STE A 102 4.481 5.463 2.969 1.00 1.00 H new HETATM 0 H102 STE A 102 6.164 4.460 1.540 1.00 1.00 H new HETATM 0 H101 STE A 102 5.692 2.836 1.998 1.00 1.00 H new HETATM 0 H92 STE A 102 6.427 3.273 4.351 1.00 1.00 H new HETATM 0 H91 STE A 102 6.868 4.912 3.918 1.00 1.00 H new HETATM 0 H82 STE A 102 8.944 3.802 3.718 1.00 1.00 H new HETATM 0 H81 STE A 102 8.373 3.770 2.062 1.00 1.00 H new HETATM 0 H72 STE A 102 7.508 1.470 2.351 1.00 1.00 H new HETATM 0 H71 STE A 102 7.901 1.498 4.059 1.00 1.00 H new HETATM 0 H62 STE A 102 9.691 0.306 2.895 1.00 1.00 H new HETATM 0 H61 STE A 102 10.339 1.833 3.460 1.00 1.00 H new HETATM 0 H52 STE A 102 10.297 2.809 1.271 1.00 1.00 H new HETATM 0 H51 STE A 102 9.136 1.643 0.669 1.00 1.00 H new HETATM 0 H42 STE A 102 10.808 -0.160 0.737 1.00 1.00 H new HETATM 0 H41 STE A 102 11.959 0.872 1.562 1.00 1.00 H new HETATM 0 H32 STE A 102 12.184 2.328 -0.383 1.00 1.00 H new HETATM 0 H31 STE A 102 10.814 1.582 -1.181 1.00 1.00 H new HETATM 0 H22 STE A 102 12.010 -0.522 -1.469 1.00 1.00 H new HETATM 0 H21 STE A 102 13.298 -0.013 -0.396 1.00 1.00 H new