USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 MET CE :methyl -175:sc= -0.0116 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.25 K(o=-0.26,f=-1.6!) USER MOD Set 2.1: A 41 TYR OH : rot 180:sc= 0.594 USER MOD Set 2.2: A 45 LYS NZ :NH3+ -154:sc= 1.9 (180deg=1.1) USER MOD Single : A 3 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.4! C(o=-1.4!,f=-5.2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 86:sc= 0.0121 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.264 USER MOD Single : A 14 HIS : no HE2:sc= -0.16 K(o=-0.16,f=-1.3) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0.235 (180deg=0.232) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.078) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.228) USER MOD Single : A 51 SER OG : rot 173:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.827 K(o=-0.83,f=-4.9!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0513 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -2.48! C(o=-2.5!,f=-3.6!) USER MOD Single : A 74 GLN : amide:sc= -3.4! C(o=-3.4!,f=-3.6!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= -2.64! (180deg=-2.66!) USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 63.804 -10.203 8.323 1.00 0.00 N ATOM 18 CA GLU A 2 62.894 -9.286 9.064 1.00 0.00 C ATOM 19 C GLU A 2 63.670 -8.594 10.186 1.00 0.00 C ATOM 20 O GLU A 2 63.504 -7.416 10.435 1.00 0.00 O ATOM 21 CB GLU A 2 61.734 -10.088 9.661 1.00 0.00 C ATOM 22 CG GLU A 2 62.235 -11.463 10.107 1.00 0.00 C ATOM 23 CD GLU A 2 61.707 -11.767 11.511 1.00 0.00 C ATOM 24 OE1 GLU A 2 62.378 -11.409 12.465 1.00 0.00 O ATOM 25 OE2 GLU A 2 60.642 -12.354 11.608 1.00 0.00 O ATOM 0 HA GLU A 2 62.499 -8.535 8.380 1.00 0.00 H new ATOM 0 HB2 GLU A 2 61.307 -9.553 10.509 1.00 0.00 H new ATOM 0 HB3 GLU A 2 60.940 -10.201 8.923 1.00 0.00 H new ATOM 0 HG2 GLU A 2 61.900 -12.229 9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 2 63.325 -11.483 10.104 1.00 0.00 H new ATOM 32 N GLN A 3 64.518 -9.316 10.868 1.00 0.00 N ATOM 33 CA GLN A 3 65.303 -8.700 11.972 1.00 0.00 C ATOM 34 C GLN A 3 66.335 -7.733 11.391 1.00 0.00 C ATOM 35 O GLN A 3 66.688 -6.745 12.003 1.00 0.00 O ATOM 36 CB GLN A 3 66.021 -9.797 12.761 1.00 0.00 C ATOM 37 CG GLN A 3 66.270 -9.315 14.192 1.00 0.00 C ATOM 38 CD GLN A 3 64.933 -8.996 14.863 1.00 0.00 C ATOM 39 OE1 GLN A 3 63.886 -9.340 14.351 1.00 0.00 O ATOM 40 NE2 GLN A 3 64.923 -8.347 15.995 1.00 0.00 N ATOM 0 H GLN A 3 64.700 -10.307 10.707 1.00 0.00 H new ATOM 0 HA GLN A 3 64.630 -8.156 12.634 1.00 0.00 H new ATOM 0 HB2 GLN A 3 65.419 -10.706 12.771 1.00 0.00 H new ATOM 0 HB3 GLN A 3 66.967 -10.046 12.280 1.00 0.00 H new ATOM 0 HG2 GLN A 3 66.799 -10.081 14.758 1.00 0.00 H new ATOM 0 HG3 GLN A 3 66.905 -8.429 14.183 1.00 0.00 H new ATOM 0 HE21 GLN A 3 65.802 -8.058 16.425 1.00 0.00 H new ATOM 0 HE22 GLN A 3 64.037 -8.129 16.450 1.00 0.00 H new ATOM 49 N LEU A 4 66.826 -8.010 10.214 1.00 0.00 N ATOM 50 CA LEU A 4 67.836 -7.106 9.597 1.00 0.00 C ATOM 51 C LEU A 4 67.199 -5.741 9.325 1.00 0.00 C ATOM 52 O LEU A 4 67.770 -4.710 9.620 1.00 0.00 O ATOM 53 CB LEU A 4 68.329 -7.712 8.282 1.00 0.00 C ATOM 54 CG LEU A 4 69.264 -8.885 8.579 1.00 0.00 C ATOM 55 CD1 LEU A 4 69.052 -9.984 7.537 1.00 0.00 C ATOM 56 CD2 LEU A 4 70.717 -8.405 8.523 1.00 0.00 C ATOM 0 H LEU A 4 66.571 -8.823 9.654 1.00 0.00 H new ATOM 0 HA LEU A 4 68.679 -6.984 10.277 1.00 0.00 H new ATOM 0 HB2 LEU A 4 67.482 -8.051 7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 4 68.851 -6.957 7.695 1.00 0.00 H new ATOM 0 HG LEU A 4 69.048 -9.279 9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 4 69.719 -10.820 7.749 1.00 0.00 H new ATOM 0 HD12 LEU A 4 68.018 -10.326 7.574 1.00 0.00 H new ATOM 0 HD13 LEU A 4 69.268 -9.590 6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 4 71.385 -9.240 8.735 1.00 0.00 H new ATOM 0 HD22 LEU A 4 70.932 -8.011 7.530 1.00 0.00 H new ATOM 0 HD23 LEU A 4 70.870 -7.621 9.265 1.00 0.00 H new ATOM 68 N ALA A 5 66.020 -5.725 8.765 1.00 0.00 N ATOM 69 CA ALA A 5 65.352 -4.424 8.480 1.00 0.00 C ATOM 70 C ALA A 5 65.088 -3.692 9.797 1.00 0.00 C ATOM 71 O ALA A 5 65.218 -2.488 9.887 1.00 0.00 O ATOM 72 CB ALA A 5 64.024 -4.677 7.761 1.00 0.00 C ATOM 0 H ALA A 5 65.492 -6.554 8.493 1.00 0.00 H new ATOM 0 HA ALA A 5 65.996 -3.815 7.846 1.00 0.00 H new ATOM 0 HB1 ALA A 5 63.536 -3.725 7.553 1.00 0.00 H new ATOM 0 HB2 ALA A 5 64.212 -5.201 6.824 1.00 0.00 H new ATOM 0 HB3 ALA A 5 63.378 -5.285 8.394 1.00 0.00 H new ATOM 78 N LYS A 6 64.719 -4.411 10.820 1.00 0.00 N ATOM 79 CA LYS A 6 64.448 -3.758 12.130 1.00 0.00 C ATOM 80 C LYS A 6 65.731 -3.736 12.967 1.00 0.00 C ATOM 81 O LYS A 6 65.740 -3.281 14.093 1.00 0.00 O ATOM 82 CB LYS A 6 63.364 -4.539 12.875 1.00 0.00 C ATOM 83 CG LYS A 6 62.009 -3.863 12.656 1.00 0.00 C ATOM 84 CD LYS A 6 61.061 -4.232 13.799 1.00 0.00 C ATOM 85 CE LYS A 6 60.131 -5.360 13.350 1.00 0.00 C ATOM 86 NZ LYS A 6 60.026 -6.377 14.435 1.00 0.00 N ATOM 0 H LYS A 6 64.593 -5.423 10.805 1.00 0.00 H new ATOM 0 HA LYS A 6 64.108 -2.736 11.962 1.00 0.00 H new ATOM 0 HB2 LYS A 6 63.331 -5.568 12.518 1.00 0.00 H new ATOM 0 HB3 LYS A 6 63.595 -4.578 13.939 1.00 0.00 H new ATOM 0 HG2 LYS A 6 62.134 -2.781 12.609 1.00 0.00 H new ATOM 0 HG3 LYS A 6 61.585 -4.177 11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 6 61.633 -4.545 14.673 1.00 0.00 H new ATOM 0 HD3 LYS A 6 60.476 -3.361 14.096 1.00 0.00 H new ATOM 0 HE2 LYS A 6 59.145 -4.961 13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 6 60.514 -5.821 12.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 59.394 -7.145 14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 60.969 -6.765 14.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 59.642 -5.931 15.293 1.00 0.00 H new ATOM 100 N GLN A 7 66.812 -4.229 12.427 1.00 0.00 N ATOM 101 CA GLN A 7 68.088 -4.240 13.191 1.00 0.00 C ATOM 102 C GLN A 7 68.747 -2.861 13.119 1.00 0.00 C ATOM 103 O GLN A 7 69.327 -2.389 14.078 1.00 0.00 O ATOM 104 CB GLN A 7 69.031 -5.286 12.591 1.00 0.00 C ATOM 105 CG GLN A 7 69.034 -6.538 13.470 1.00 0.00 C ATOM 106 CD GLN A 7 69.747 -6.235 14.789 1.00 0.00 C ATOM 107 OE1 GLN A 7 69.285 -5.430 15.572 1.00 0.00 O ATOM 108 NE2 GLN A 7 70.864 -6.851 15.068 1.00 0.00 N ATOM 0 H GLN A 7 66.865 -4.625 11.488 1.00 0.00 H new ATOM 0 HA GLN A 7 67.882 -4.486 14.233 1.00 0.00 H new ATOM 0 HB2 GLN A 7 68.713 -5.540 11.580 1.00 0.00 H new ATOM 0 HB3 GLN A 7 70.040 -4.880 12.515 1.00 0.00 H new ATOM 0 HG2 GLN A 7 68.011 -6.862 13.663 1.00 0.00 H new ATOM 0 HG3 GLN A 7 69.535 -7.357 12.953 1.00 0.00 H new ATOM 0 HE21 GLN A 7 71.252 -7.527 14.410 1.00 0.00 H new ATOM 0 HE22 GLN A 7 71.349 -6.656 15.944 1.00 0.00 H new ATOM 117 N LYS A 8 68.669 -2.215 11.990 1.00 0.00 N ATOM 118 CA LYS A 8 69.298 -0.869 11.854 1.00 0.00 C ATOM 119 C LYS A 8 68.262 0.219 12.141 1.00 0.00 C ATOM 120 O LYS A 8 68.601 1.338 12.476 1.00 0.00 O ATOM 121 CB LYS A 8 69.833 -0.699 10.430 1.00 0.00 C ATOM 122 CG LYS A 8 70.826 -1.821 10.118 1.00 0.00 C ATOM 123 CD LYS A 8 72.140 -1.560 10.858 1.00 0.00 C ATOM 124 CE LYS A 8 73.126 -2.692 10.568 1.00 0.00 C ATOM 125 NZ LYS A 8 72.989 -3.749 11.609 1.00 0.00 N ATOM 0 H LYS A 8 68.197 -2.560 11.154 1.00 0.00 H new ATOM 0 HA LYS A 8 70.118 -0.782 12.567 1.00 0.00 H new ATOM 0 HB2 LYS A 8 69.009 -0.720 9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 8 70.320 0.271 10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 8 70.411 -2.783 10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 8 71.005 -1.874 9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 8 72.563 -0.606 10.543 1.00 0.00 H new ATOM 0 HD3 LYS A 8 71.957 -1.489 11.930 1.00 0.00 H new ATOM 0 HE2 LYS A 8 72.934 -3.112 9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 8 74.146 -2.307 10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 73.660 -4.519 11.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 73.193 -3.343 12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 72.019 -4.123 11.598 1.00 0.00 H new ATOM 139 N GLY A 9 67.002 -0.095 12.015 1.00 0.00 N ATOM 140 CA GLY A 9 65.951 0.927 12.282 1.00 0.00 C ATOM 141 C GLY A 9 65.522 1.581 10.968 1.00 0.00 C ATOM 142 O GLY A 9 65.464 2.789 10.855 1.00 0.00 O ATOM 0 H GLY A 9 66.655 -1.014 11.739 1.00 0.00 H new ATOM 0 HA2 GLY A 9 65.092 0.461 12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 9 66.332 1.683 12.968 1.00 0.00 H new ATOM 146 N CYS A 10 65.217 0.794 9.972 1.00 0.00 N ATOM 147 CA CYS A 10 64.788 1.375 8.669 1.00 0.00 C ATOM 148 C CYS A 10 63.301 1.737 8.739 1.00 0.00 C ATOM 149 O CYS A 10 62.856 2.697 8.141 1.00 0.00 O ATOM 150 CB CYS A 10 65.009 0.349 7.554 1.00 0.00 C ATOM 151 SG CYS A 10 66.687 -0.322 7.665 1.00 0.00 S ATOM 0 H CYS A 10 65.246 -0.225 10.005 1.00 0.00 H new ATOM 0 HA CYS A 10 65.373 2.271 8.460 1.00 0.00 H new ATOM 0 HB2 CYS A 10 64.279 -0.456 7.638 1.00 0.00 H new ATOM 0 HB3 CYS A 10 64.858 0.817 6.581 1.00 0.00 H new ATOM 0 HG CYS A 10 66.702 -1.317 8.502 1.00 0.00 H new ATOM 156 N MET A 11 62.531 0.972 9.464 1.00 0.00 N ATOM 157 CA MET A 11 61.073 1.265 9.576 1.00 0.00 C ATOM 158 C MET A 11 60.873 2.666 10.160 1.00 0.00 C ATOM 159 O MET A 11 59.818 3.255 10.036 1.00 0.00 O ATOM 160 CB MET A 11 60.417 0.235 10.496 1.00 0.00 C ATOM 161 CG MET A 11 60.626 -1.166 9.919 1.00 0.00 C ATOM 162 SD MET A 11 59.289 -2.253 10.473 1.00 0.00 S ATOM 163 CE MET A 11 58.945 -3.016 8.869 1.00 0.00 C ATOM 0 H MET A 11 62.849 0.155 9.985 1.00 0.00 H new ATOM 0 HA MET A 11 60.618 1.216 8.587 1.00 0.00 H new ATOM 0 HB2 MET A 11 60.848 0.297 11.495 1.00 0.00 H new ATOM 0 HB3 MET A 11 59.352 0.445 10.594 1.00 0.00 H new ATOM 0 HG2 MET A 11 60.646 -1.123 8.830 1.00 0.00 H new ATOM 0 HG3 MET A 11 61.589 -1.563 10.240 1.00 0.00 H new ATOM 0 HE1 MET A 11 58.135 -3.738 8.976 1.00 0.00 H new ATOM 0 HE2 MET A 11 58.653 -2.246 8.155 1.00 0.00 H new ATOM 0 HE3 MET A 11 59.839 -3.525 8.509 1.00 0.00 H new ATOM 173 N ALA A 12 61.877 3.201 10.797 1.00 0.00 N ATOM 174 CA ALA A 12 61.742 4.561 11.390 1.00 0.00 C ATOM 175 C ALA A 12 61.155 5.516 10.349 1.00 0.00 C ATOM 176 O ALA A 12 60.554 6.518 10.682 1.00 0.00 O ATOM 177 CB ALA A 12 63.119 5.066 11.824 1.00 0.00 C ATOM 0 H ALA A 12 62.785 2.756 10.933 1.00 0.00 H new ATOM 0 HA ALA A 12 61.081 4.516 12.255 1.00 0.00 H new ATOM 0 HB1 ALA A 12 63.021 6.061 12.258 1.00 0.00 H new ATOM 0 HB2 ALA A 12 63.539 4.386 12.566 1.00 0.00 H new ATOM 0 HB3 ALA A 12 63.780 5.111 10.958 1.00 0.00 H new ATOM 183 N CYS A 13 61.326 5.216 9.089 1.00 0.00 N ATOM 184 CA CYS A 13 60.776 6.109 8.030 1.00 0.00 C ATOM 185 C CYS A 13 60.051 5.272 6.973 1.00 0.00 C ATOM 186 O CYS A 13 59.012 5.653 6.471 1.00 0.00 O ATOM 187 CB CYS A 13 61.922 6.878 7.365 1.00 0.00 C ATOM 188 SG CYS A 13 62.952 7.651 8.637 1.00 0.00 S ATOM 0 H CYS A 13 61.822 4.392 8.748 1.00 0.00 H new ATOM 0 HA CYS A 13 60.075 6.811 8.481 1.00 0.00 H new ATOM 0 HB2 CYS A 13 62.523 6.202 6.757 1.00 0.00 H new ATOM 0 HB3 CYS A 13 61.522 7.639 6.694 1.00 0.00 H new ATOM 0 HG CYS A 13 63.925 8.301 8.071 1.00 0.00 H new ATOM 193 N HIS A 14 60.597 4.138 6.621 1.00 0.00 N ATOM 194 CA HIS A 14 59.947 3.283 5.587 1.00 0.00 C ATOM 195 C HIS A 14 58.708 2.598 6.170 1.00 0.00 C ATOM 196 O HIS A 14 58.317 2.848 7.292 1.00 0.00 O ATOM 197 CB HIS A 14 60.940 2.220 5.115 1.00 0.00 C ATOM 198 CG HIS A 14 61.777 2.778 3.998 1.00 0.00 C ATOM 199 ND1 HIS A 14 61.428 2.628 2.666 1.00 0.00 N ATOM 200 CD2 HIS A 14 62.953 3.486 4.002 1.00 0.00 C ATOM 201 CE1 HIS A 14 62.377 3.233 1.928 1.00 0.00 C ATOM 202 NE2 HIS A 14 63.330 3.772 2.693 1.00 0.00 N ATOM 0 H HIS A 14 61.466 3.767 7.006 1.00 0.00 H new ATOM 0 HA HIS A 14 59.644 3.908 4.747 1.00 0.00 H new ATOM 0 HB2 HIS A 14 61.578 1.910 5.942 1.00 0.00 H new ATOM 0 HB3 HIS A 14 60.406 1.333 4.775 1.00 0.00 H new ATOM 0 HD1 HIS A 14 60.602 2.147 2.309 1.00 0.00 H new ATOM 0 HD2 HIS A 14 63.502 3.777 4.886 1.00 0.00 H new ATOM 0 HE1 HIS A 14 62.369 3.277 0.849 1.00 0.00 H new ATOM 210 N ASP A 15 58.092 1.733 5.406 1.00 0.00 N ATOM 211 CA ASP A 15 56.877 1.021 5.897 1.00 0.00 C ATOM 212 C ASP A 15 56.138 0.408 4.703 1.00 0.00 C ATOM 213 O ASP A 15 55.712 1.103 3.803 1.00 0.00 O ATOM 214 CB ASP A 15 55.956 2.006 6.619 1.00 0.00 C ATOM 215 CG ASP A 15 55.832 1.603 8.089 1.00 0.00 C ATOM 216 OD1 ASP A 15 55.549 0.443 8.341 1.00 0.00 O ATOM 217 OD2 ASP A 15 56.024 2.458 8.937 1.00 0.00 O ATOM 0 H ASP A 15 58.381 1.489 4.459 1.00 0.00 H new ATOM 0 HA ASP A 15 57.171 0.234 6.591 1.00 0.00 H new ATOM 0 HB2 ASP A 15 56.354 3.018 6.540 1.00 0.00 H new ATOM 0 HB3 ASP A 15 54.973 2.013 6.148 1.00 0.00 H new ATOM 222 N LEU A 16 55.989 -0.890 4.684 1.00 0.00 N ATOM 223 CA LEU A 16 55.283 -1.550 3.544 1.00 0.00 C ATOM 224 C LEU A 16 54.045 -0.746 3.158 1.00 0.00 C ATOM 225 O LEU A 16 53.956 -0.200 2.077 1.00 0.00 O ATOM 226 CB LEU A 16 54.839 -2.949 3.957 1.00 0.00 C ATOM 227 CG LEU A 16 55.834 -3.981 3.425 1.00 0.00 C ATOM 228 CD1 LEU A 16 57.176 -3.814 4.139 1.00 0.00 C ATOM 229 CD2 LEU A 16 55.290 -5.388 3.679 1.00 0.00 C ATOM 0 H LEU A 16 56.326 -1.523 5.409 1.00 0.00 H new ATOM 0 HA LEU A 16 55.967 -1.605 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.776 -3.016 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 16 53.842 -3.155 3.567 1.00 0.00 H new ATOM 0 HG LEU A 16 55.975 -3.833 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 16 57.884 -4.550 3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 16 57.562 -2.811 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 16 57.039 -3.962 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 16 55.998 -6.126 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 16 55.150 -5.536 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 16 54.335 -5.506 3.168 1.00 0.00 H new ATOM 241 N LYS A 17 53.080 -0.684 4.029 1.00 0.00 N ATOM 242 CA LYS A 17 51.843 0.072 3.708 1.00 0.00 C ATOM 243 C LYS A 17 51.576 1.099 4.807 1.00 0.00 C ATOM 244 O LYS A 17 50.452 1.308 5.219 1.00 0.00 O ATOM 245 CB LYS A 17 50.662 -0.898 3.611 1.00 0.00 C ATOM 246 CG LYS A 17 50.749 -1.680 2.299 1.00 0.00 C ATOM 247 CD LYS A 17 49.558 -1.317 1.409 1.00 0.00 C ATOM 248 CE LYS A 17 49.139 -2.541 0.593 1.00 0.00 C ATOM 249 NZ LYS A 17 48.587 -2.098 -0.719 1.00 0.00 N ATOM 0 H LYS A 17 53.095 -1.124 4.949 1.00 0.00 H new ATOM 0 HA LYS A 17 51.966 0.586 2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 17 50.672 -1.585 4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 17 49.722 -0.348 3.657 1.00 0.00 H new ATOM 0 HG2 LYS A 17 51.683 -1.449 1.787 1.00 0.00 H new ATOM 0 HG3 LYS A 17 50.753 -2.751 2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 17 48.725 -0.972 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 17 49.825 -0.497 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 17 49.995 -3.198 0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 17 48.391 -3.117 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 48.302 -2.930 -1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 47.760 -1.488 -0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 49.314 -1.567 -1.240 1.00 0.00 H new ATOM 263 N ALA A 18 52.603 1.742 5.286 1.00 0.00 N ATOM 264 CA ALA A 18 52.418 2.757 6.360 1.00 0.00 C ATOM 265 C ALA A 18 53.386 3.917 6.127 1.00 0.00 C ATOM 266 O ALA A 18 54.234 4.209 6.944 1.00 0.00 O ATOM 267 CB ALA A 18 52.705 2.120 7.717 1.00 0.00 C ATOM 0 H ALA A 18 53.566 1.608 4.979 1.00 0.00 H new ATOM 0 HA ALA A 18 51.392 3.126 6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 18 52.570 2.863 8.503 1.00 0.00 H new ATOM 0 HB2 ALA A 18 52.019 1.289 7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 18 53.731 1.753 7.737 1.00 0.00 H new ATOM 273 N LYS A 19 53.264 4.571 5.010 1.00 0.00 N ATOM 274 CA LYS A 19 54.174 5.707 4.700 1.00 0.00 C ATOM 275 C LYS A 19 54.224 6.679 5.882 1.00 0.00 C ATOM 276 O LYS A 19 53.226 6.960 6.515 1.00 0.00 O ATOM 277 CB LYS A 19 53.660 6.441 3.459 1.00 0.00 C ATOM 278 CG LYS A 19 54.279 5.823 2.204 1.00 0.00 C ATOM 279 CD LYS A 19 53.237 5.785 1.083 1.00 0.00 C ATOM 280 CE LYS A 19 52.139 4.781 1.440 1.00 0.00 C ATOM 281 NZ LYS A 19 51.624 4.142 0.196 1.00 0.00 N ATOM 0 H LYS A 19 52.568 4.367 4.292 1.00 0.00 H new ATOM 0 HA LYS A 19 55.177 5.322 4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 19 52.573 6.376 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 19 53.914 7.499 3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 19 55.145 6.405 1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 19 54.633 4.815 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 19 52.806 6.776 0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 19 53.710 5.504 0.142 1.00 0.00 H new ATOM 0 HE2 LYS A 19 52.532 4.021 2.115 1.00 0.00 H new ATOM 0 HE3 LYS A 19 51.328 5.285 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 50.843 3.498 0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 51.280 4.877 -0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 52.389 3.605 -0.261 1.00 0.00 H new ATOM 295 N LYS A 20 55.385 7.198 6.175 1.00 0.00 N ATOM 296 CA LYS A 20 55.522 8.161 7.305 1.00 0.00 C ATOM 297 C LYS A 20 56.525 9.243 6.907 1.00 0.00 C ATOM 298 O LYS A 20 56.173 10.383 6.682 1.00 0.00 O ATOM 299 CB LYS A 20 56.024 7.424 8.549 1.00 0.00 C ATOM 300 CG LYS A 20 55.292 7.947 9.787 1.00 0.00 C ATOM 301 CD LYS A 20 54.083 7.055 10.085 1.00 0.00 C ATOM 302 CE LYS A 20 53.810 7.051 11.590 1.00 0.00 C ATOM 303 NZ LYS A 20 53.429 8.424 12.028 1.00 0.00 N ATOM 0 H LYS A 20 56.251 6.995 5.676 1.00 0.00 H new ATOM 0 HA LYS A 20 54.556 8.615 7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 20 55.857 6.352 8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 20 57.098 7.569 8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 20 55.967 7.959 10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 20 54.967 8.974 9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 20 53.208 7.419 9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 20 54.272 6.040 9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 20 53.011 6.348 11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 20 54.696 6.718 12.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 53.049 8.387 12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 54.267 9.040 12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 52.705 8.805 11.386 1.00 0.00 H new ATOM 317 N VAL A 21 57.773 8.885 6.802 1.00 0.00 N ATOM 318 CA VAL A 21 58.808 9.877 6.399 1.00 0.00 C ATOM 319 C VAL A 21 59.392 9.450 5.050 1.00 0.00 C ATOM 320 O VAL A 21 59.691 10.268 4.202 1.00 0.00 O ATOM 321 CB VAL A 21 59.918 9.923 7.452 1.00 0.00 C ATOM 322 CG1 VAL A 21 60.994 10.920 7.019 1.00 0.00 C ATOM 323 CG2 VAL A 21 59.328 10.365 8.793 1.00 0.00 C ATOM 0 H VAL A 21 58.123 7.943 6.979 1.00 0.00 H new ATOM 0 HA VAL A 21 58.362 10.868 6.315 1.00 0.00 H new ATOM 0 HB VAL A 21 60.361 8.932 7.555 1.00 0.00 H new ATOM 0 HG11 VAL A 21 61.784 10.952 7.770 1.00 0.00 H new ATOM 0 HG12 VAL A 21 61.415 10.609 6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 21 60.552 11.911 6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 21 60.117 10.398 9.544 1.00 0.00 H new ATOM 0 HG22 VAL A 21 58.886 11.356 8.687 1.00 0.00 H new ATOM 0 HG23 VAL A 21 58.561 9.656 9.104 1.00 0.00 H new ATOM 333 N GLY A 22 59.540 8.169 4.844 1.00 0.00 N ATOM 334 CA GLY A 22 60.088 7.672 3.549 1.00 0.00 C ATOM 335 C GLY A 22 58.965 6.987 2.761 1.00 0.00 C ATOM 336 O GLY A 22 57.853 6.880 3.241 1.00 0.00 O ATOM 0 H GLY A 22 59.304 7.442 5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 22 60.501 8.500 2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 22 60.903 6.971 3.729 1.00 0.00 H new ATOM 340 N PRO A 23 59.288 6.543 1.574 1.00 0.00 N ATOM 341 CA PRO A 23 58.321 5.862 0.694 1.00 0.00 C ATOM 342 C PRO A 23 58.119 4.409 1.137 1.00 0.00 C ATOM 343 O PRO A 23 59.065 3.686 1.377 1.00 0.00 O ATOM 344 CB PRO A 23 58.986 5.924 -0.684 1.00 0.00 C ATOM 345 CG PRO A 23 60.500 6.115 -0.429 1.00 0.00 C ATOM 346 CD PRO A 23 60.641 6.677 1.000 1.00 0.00 C ATOM 0 HA PRO A 23 57.333 6.322 0.708 1.00 0.00 H new ATOM 0 HB2 PRO A 23 58.799 5.010 -1.247 1.00 0.00 H new ATOM 0 HB3 PRO A 23 58.584 6.749 -1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 23 61.031 5.168 -0.527 1.00 0.00 H new ATOM 0 HG3 PRO A 23 60.932 6.800 -1.159 1.00 0.00 H new ATOM 0 HD2 PRO A 23 61.376 6.117 1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 23 60.968 7.717 0.989 1.00 0.00 H new ATOM 354 N ALA A 24 56.891 3.978 1.247 1.00 0.00 N ATOM 355 CA ALA A 24 56.632 2.574 1.674 1.00 0.00 C ATOM 356 C ALA A 24 57.470 1.622 0.819 1.00 0.00 C ATOM 357 O ALA A 24 57.841 1.937 -0.294 1.00 0.00 O ATOM 358 CB ALA A 24 55.146 2.248 1.492 1.00 0.00 C ATOM 0 H ALA A 24 56.058 4.536 1.060 1.00 0.00 H new ATOM 0 HA ALA A 24 56.902 2.458 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 24 54.958 1.221 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 24 54.547 2.927 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 24 54.874 2.363 0.443 1.00 0.00 H new ATOM 364 N TYR A 25 57.776 0.461 1.331 1.00 0.00 N ATOM 365 CA TYR A 25 58.594 -0.506 0.550 1.00 0.00 C ATOM 366 C TYR A 25 57.783 -1.022 -0.642 1.00 0.00 C ATOM 367 O TYR A 25 58.313 -1.254 -1.710 1.00 0.00 O ATOM 368 CB TYR A 25 58.979 -1.679 1.451 1.00 0.00 C ATOM 369 CG TYR A 25 60.190 -1.310 2.274 1.00 0.00 C ATOM 370 CD1 TYR A 25 61.307 -0.736 1.657 1.00 0.00 C ATOM 371 CD2 TYR A 25 60.196 -1.543 3.654 1.00 0.00 C ATOM 372 CE1 TYR A 25 62.430 -0.396 2.420 1.00 0.00 C ATOM 373 CE2 TYR A 25 61.319 -1.203 4.417 1.00 0.00 C ATOM 374 CZ TYR A 25 62.436 -0.629 3.800 1.00 0.00 C ATOM 375 OH TYR A 25 63.543 -0.294 4.550 1.00 0.00 O ATOM 0 H TYR A 25 57.494 0.141 2.258 1.00 0.00 H new ATOM 0 HA TYR A 25 59.494 -0.012 0.185 1.00 0.00 H new ATOM 0 HB2 TYR A 25 58.146 -1.936 2.106 1.00 0.00 H new ATOM 0 HB3 TYR A 25 59.193 -2.560 0.846 1.00 0.00 H new ATOM 0 HD1 TYR A 25 61.303 -0.555 0.592 1.00 0.00 H new ATOM 0 HD2 TYR A 25 59.334 -1.985 4.130 1.00 0.00 H new ATOM 0 HE1 TYR A 25 63.292 0.046 1.944 1.00 0.00 H new ATOM 0 HE2 TYR A 25 61.323 -1.384 5.482 1.00 0.00 H new ATOM 0 HH TYR A 25 63.382 -0.520 5.490 1.00 0.00 H new ATOM 385 N ALA A 26 56.504 -1.207 -0.466 1.00 0.00 N ATOM 386 CA ALA A 26 55.662 -1.710 -1.588 1.00 0.00 C ATOM 387 C ALA A 26 55.672 -0.694 -2.731 1.00 0.00 C ATOM 388 O ALA A 26 55.762 -1.049 -3.889 1.00 0.00 O ATOM 389 CB ALA A 26 54.227 -1.909 -1.097 1.00 0.00 C ATOM 0 H ALA A 26 56.005 -1.032 0.406 1.00 0.00 H new ATOM 0 HA ALA A 26 56.061 -2.660 -1.944 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.610 -2.277 -1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 26 54.218 -2.633 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 26 53.829 -0.959 -0.741 1.00 0.00 H new ATOM 395 N ASP A 27 55.577 0.569 -2.417 1.00 0.00 N ATOM 396 CA ASP A 27 55.577 1.605 -3.483 1.00 0.00 C ATOM 397 C ASP A 27 56.968 1.691 -4.116 1.00 0.00 C ATOM 398 O ASP A 27 57.120 2.098 -5.250 1.00 0.00 O ATOM 399 CB ASP A 27 55.213 2.956 -2.866 1.00 0.00 C ATOM 400 CG ASP A 27 53.704 3.020 -2.624 1.00 0.00 C ATOM 401 OD1 ASP A 27 53.236 2.320 -1.741 1.00 0.00 O ATOM 402 OD2 ASP A 27 53.043 3.769 -3.324 1.00 0.00 O ATOM 0 H ASP A 27 55.499 0.927 -1.465 1.00 0.00 H new ATOM 0 HA ASP A 27 54.849 1.342 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 27 55.748 3.094 -1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 27 55.520 3.765 -3.529 1.00 0.00 H new ATOM 407 N VAL A 28 57.986 1.314 -3.392 1.00 0.00 N ATOM 408 CA VAL A 28 59.361 1.379 -3.950 1.00 0.00 C ATOM 409 C VAL A 28 59.566 0.240 -4.949 1.00 0.00 C ATOM 410 O VAL A 28 59.764 0.462 -6.127 1.00 0.00 O ATOM 411 CB VAL A 28 60.377 1.248 -2.815 1.00 0.00 C ATOM 412 CG1 VAL A 28 61.793 1.326 -3.386 1.00 0.00 C ATOM 413 CG2 VAL A 28 60.169 2.385 -1.811 1.00 0.00 C ATOM 0 H VAL A 28 57.922 0.963 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 28 59.500 2.334 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 28 60.240 0.290 -2.314 1.00 0.00 H new ATOM 0 HG11 VAL A 28 62.517 1.233 -2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.942 0.517 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 28 61.931 2.284 -3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 28 60.893 2.292 -1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 28 60.306 3.343 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 28 59.160 2.330 -1.403 1.00 0.00 H new ATOM 423 N ALA A 29 59.523 -0.980 -4.489 1.00 0.00 N ATOM 424 CA ALA A 29 59.715 -2.129 -5.416 1.00 0.00 C ATOM 425 C ALA A 29 58.822 -1.944 -6.644 1.00 0.00 C ATOM 426 O ALA A 29 59.213 -2.230 -7.758 1.00 0.00 O ATOM 427 CB ALA A 29 59.342 -3.430 -4.703 1.00 0.00 C ATOM 0 H ALA A 29 59.363 -1.230 -3.513 1.00 0.00 H new ATOM 0 HA ALA A 29 60.758 -2.175 -5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 29 59.483 -4.271 -5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 29 59.978 -3.560 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 29 58.299 -3.387 -4.390 1.00 0.00 H new ATOM 433 N LYS A 30 57.624 -1.466 -6.448 1.00 0.00 N ATOM 434 CA LYS A 30 56.703 -1.259 -7.602 1.00 0.00 C ATOM 435 C LYS A 30 57.293 -0.211 -8.546 1.00 0.00 C ATOM 436 O LYS A 30 57.245 -0.350 -9.752 1.00 0.00 O ATOM 437 CB LYS A 30 55.348 -0.773 -7.086 1.00 0.00 C ATOM 438 CG LYS A 30 54.240 -1.688 -7.611 1.00 0.00 C ATOM 439 CD LYS A 30 53.157 -0.844 -8.285 1.00 0.00 C ATOM 440 CE LYS A 30 52.714 -1.521 -9.584 1.00 0.00 C ATOM 441 NZ LYS A 30 52.035 -0.524 -10.458 1.00 0.00 N ATOM 0 H LYS A 30 57.242 -1.209 -5.538 1.00 0.00 H new ATOM 0 HA LYS A 30 56.575 -2.199 -8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 30 55.343 -0.768 -5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 30 55.171 0.252 -7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 30 54.652 -2.405 -8.321 1.00 0.00 H new ATOM 0 HG3 LYS A 30 53.810 -2.263 -6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 30 52.305 -0.725 -7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 30 53.539 0.155 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 30 53.577 -1.944 -10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 30 52.038 -2.347 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 51.734 -0.984 -11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 51.203 -0.141 -9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 52.694 0.250 -10.678 1.00 0.00 H new ATOM 455 N LYS A 31 57.847 0.840 -8.008 1.00 0.00 N ATOM 456 CA LYS A 31 58.435 1.897 -8.872 1.00 0.00 C ATOM 457 C LYS A 31 59.588 1.311 -9.690 1.00 0.00 C ATOM 458 O LYS A 31 59.872 1.754 -10.785 1.00 0.00 O ATOM 459 CB LYS A 31 58.959 3.036 -7.995 1.00 0.00 C ATOM 460 CG LYS A 31 57.865 4.092 -7.826 1.00 0.00 C ATOM 461 CD LYS A 31 58.401 5.457 -8.263 1.00 0.00 C ATOM 462 CE LYS A 31 57.259 6.476 -8.273 1.00 0.00 C ATOM 463 NZ LYS A 31 56.772 6.663 -9.669 1.00 0.00 N ATOM 0 H LYS A 31 57.917 1.011 -7.005 1.00 0.00 H new ATOM 0 HA LYS A 31 57.670 2.279 -9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 31 59.261 2.650 -7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 31 59.843 3.482 -8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 31 56.992 3.825 -8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 31 57.541 4.133 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 31 59.188 5.784 -7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 31 58.846 5.384 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 31 56.445 6.132 -7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 31 57.602 7.427 -7.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 55.996 7.355 -9.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 57.551 7.010 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 56.429 5.755 -10.042 1.00 0.00 H new ATOM 477 N TYR A 32 60.255 0.319 -9.168 1.00 0.00 N ATOM 478 CA TYR A 32 61.389 -0.291 -9.917 1.00 0.00 C ATOM 479 C TYR A 32 60.954 -1.637 -10.502 1.00 0.00 C ATOM 480 O TYR A 32 59.800 -1.838 -10.826 1.00 0.00 O ATOM 481 CB TYR A 32 62.570 -0.503 -8.966 1.00 0.00 C ATOM 482 CG TYR A 32 62.862 0.784 -8.231 1.00 0.00 C ATOM 483 CD1 TYR A 32 62.700 2.015 -8.879 1.00 0.00 C ATOM 484 CD2 TYR A 32 63.295 0.745 -6.900 1.00 0.00 C ATOM 485 CE1 TYR A 32 62.973 3.206 -8.196 1.00 0.00 C ATOM 486 CE2 TYR A 32 63.567 1.936 -6.217 1.00 0.00 C ATOM 487 CZ TYR A 32 63.405 3.167 -6.866 1.00 0.00 C ATOM 488 OH TYR A 32 63.674 4.341 -6.192 1.00 0.00 O ATOM 0 H TYR A 32 60.064 -0.095 -8.256 1.00 0.00 H new ATOM 0 HA TYR A 32 61.688 0.374 -10.727 1.00 0.00 H new ATOM 0 HB2 TYR A 32 62.340 -1.296 -8.255 1.00 0.00 H new ATOM 0 HB3 TYR A 32 63.449 -0.822 -9.526 1.00 0.00 H new ATOM 0 HD1 TYR A 32 62.365 2.045 -9.905 1.00 0.00 H new ATOM 0 HD2 TYR A 32 63.419 -0.204 -6.400 1.00 0.00 H new ATOM 0 HE1 TYR A 32 62.850 4.155 -8.696 1.00 0.00 H new ATOM 0 HE2 TYR A 32 63.901 1.906 -5.191 1.00 0.00 H new ATOM 0 HH TYR A 32 63.962 4.135 -5.278 1.00 0.00 H new ATOM 498 N ALA A 33 61.877 -2.556 -10.644 1.00 0.00 N ATOM 499 CA ALA A 33 61.542 -3.900 -11.210 1.00 0.00 C ATOM 500 C ALA A 33 61.564 -3.843 -12.742 1.00 0.00 C ATOM 501 O ALA A 33 61.924 -4.800 -13.399 1.00 0.00 O ATOM 502 CB ALA A 33 60.156 -4.342 -10.732 1.00 0.00 C ATOM 0 H ALA A 33 62.857 -2.431 -10.390 1.00 0.00 H new ATOM 0 HA ALA A 33 62.285 -4.620 -10.866 1.00 0.00 H new ATOM 0 HB1 ALA A 33 59.922 -5.321 -11.150 1.00 0.00 H new ATOM 0 HB2 ALA A 33 60.148 -4.401 -9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 33 59.410 -3.619 -11.062 1.00 0.00 H new ATOM 508 N GLY A 34 61.185 -2.734 -13.320 1.00 0.00 N ATOM 509 CA GLY A 34 61.190 -2.631 -14.807 1.00 0.00 C ATOM 510 C GLY A 34 62.559 -2.140 -15.283 1.00 0.00 C ATOM 511 O GLY A 34 62.693 -1.592 -16.359 1.00 0.00 O ATOM 0 H GLY A 34 60.873 -1.897 -12.827 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.967 -3.602 -15.250 1.00 0.00 H new ATOM 0 HA3 GLY A 34 60.411 -1.943 -15.137 1.00 0.00 H new ATOM 515 N ARG A 35 63.578 -2.331 -14.491 1.00 0.00 N ATOM 516 CA ARG A 35 64.935 -1.876 -14.899 1.00 0.00 C ATOM 517 C ARG A 35 65.860 -3.088 -15.031 1.00 0.00 C ATOM 518 O ARG A 35 65.551 -4.169 -14.568 1.00 0.00 O ATOM 519 CB ARG A 35 65.490 -0.920 -13.841 1.00 0.00 C ATOM 520 CG ARG A 35 66.533 -0.004 -14.481 1.00 0.00 C ATOM 521 CD ARG A 35 66.569 1.330 -13.732 1.00 0.00 C ATOM 522 NE ARG A 35 67.937 1.916 -13.826 1.00 0.00 N ATOM 523 CZ ARG A 35 68.927 1.377 -13.167 1.00 0.00 C ATOM 524 NH1 ARG A 35 68.727 0.323 -12.423 1.00 0.00 N ATOM 525 NH2 ARG A 35 70.122 1.894 -13.253 1.00 0.00 N ATOM 0 H ARG A 35 63.528 -2.783 -13.578 1.00 0.00 H new ATOM 0 HA ARG A 35 64.875 -1.361 -15.858 1.00 0.00 H new ATOM 0 HB2 ARG A 35 64.683 -0.326 -13.412 1.00 0.00 H new ATOM 0 HB3 ARG A 35 65.939 -1.485 -13.024 1.00 0.00 H new ATOM 0 HG2 ARG A 35 67.515 -0.477 -14.451 1.00 0.00 H new ATOM 0 HG3 ARG A 35 66.291 0.163 -15.531 1.00 0.00 H new ATOM 0 HD2 ARG A 35 65.837 2.017 -14.156 1.00 0.00 H new ATOM 0 HD3 ARG A 35 66.297 1.180 -12.687 1.00 0.00 H new ATOM 0 HE ARG A 35 68.100 2.739 -14.406 1.00 0.00 H new ATOM 0 HH11 ARG A 35 67.794 -0.083 -12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 35 69.504 -0.094 -11.910 1.00 0.00 H new ATOM 0 HH21 ARG A 35 70.281 2.717 -13.834 1.00 0.00 H new ATOM 0 HH22 ARG A 35 70.897 1.475 -12.739 1.00 0.00 H new ATOM 539 N LYS A 36 66.990 -2.922 -15.663 1.00 0.00 N ATOM 540 CA LYS A 36 67.927 -4.069 -15.825 1.00 0.00 C ATOM 541 C LYS A 36 68.999 -4.017 -14.735 1.00 0.00 C ATOM 542 O LYS A 36 70.133 -4.394 -14.950 1.00 0.00 O ATOM 543 CB LYS A 36 68.596 -3.990 -17.197 1.00 0.00 C ATOM 544 CG LYS A 36 68.891 -5.403 -17.702 1.00 0.00 C ATOM 545 CD LYS A 36 68.148 -5.638 -19.017 1.00 0.00 C ATOM 546 CE LYS A 36 67.533 -7.038 -19.013 1.00 0.00 C ATOM 547 NZ LYS A 36 67.007 -7.352 -20.372 1.00 0.00 N ATOM 0 H LYS A 36 67.304 -2.043 -16.074 1.00 0.00 H new ATOM 0 HA LYS A 36 67.371 -5.003 -15.742 1.00 0.00 H new ATOM 0 HB2 LYS A 36 67.947 -3.469 -17.901 1.00 0.00 H new ATOM 0 HB3 LYS A 36 69.520 -3.416 -17.130 1.00 0.00 H new ATOM 0 HG2 LYS A 36 69.963 -5.532 -17.849 1.00 0.00 H new ATOM 0 HG3 LYS A 36 68.581 -6.138 -16.960 1.00 0.00 H new ATOM 0 HD2 LYS A 36 67.368 -4.887 -19.145 1.00 0.00 H new ATOM 0 HD3 LYS A 36 68.833 -5.533 -19.858 1.00 0.00 H new ATOM 0 HE2 LYS A 36 68.281 -7.775 -18.721 1.00 0.00 H new ATOM 0 HE3 LYS A 36 66.729 -7.092 -18.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 66.588 -8.304 -20.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 66.281 -6.655 -20.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 67.784 -7.317 -21.062 1.00 0.00 H new ATOM 561 N ASP A 37 68.650 -3.555 -13.566 1.00 0.00 N ATOM 562 CA ASP A 37 69.650 -3.482 -12.465 1.00 0.00 C ATOM 563 C ASP A 37 69.067 -2.678 -11.303 1.00 0.00 C ATOM 564 O ASP A 37 69.721 -1.825 -10.735 1.00 0.00 O ATOM 565 CB ASP A 37 70.922 -2.797 -12.973 1.00 0.00 C ATOM 566 CG ASP A 37 72.064 -3.813 -13.030 1.00 0.00 C ATOM 567 OD1 ASP A 37 71.775 -4.996 -13.113 1.00 0.00 O ATOM 568 OD2 ASP A 37 73.208 -3.392 -12.991 1.00 0.00 O ATOM 0 H ASP A 37 67.715 -3.225 -13.326 1.00 0.00 H new ATOM 0 HA ASP A 37 69.892 -4.489 -12.126 1.00 0.00 H new ATOM 0 HB2 ASP A 37 70.749 -2.374 -13.962 1.00 0.00 H new ATOM 0 HB3 ASP A 37 71.190 -1.970 -12.315 1.00 0.00 H new ATOM 573 N ALA A 38 67.842 -2.943 -10.944 1.00 0.00 N ATOM 574 CA ALA A 38 67.218 -2.195 -9.818 1.00 0.00 C ATOM 575 C ALA A 38 67.729 -2.762 -8.493 1.00 0.00 C ATOM 576 O ALA A 38 67.680 -2.111 -7.468 1.00 0.00 O ATOM 577 CB ALA A 38 65.697 -2.344 -9.887 1.00 0.00 C ATOM 0 H ALA A 38 67.246 -3.645 -11.382 1.00 0.00 H new ATOM 0 HA ALA A 38 67.480 -1.139 -9.889 1.00 0.00 H new ATOM 0 HB1 ALA A 38 65.240 -1.796 -9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 38 65.335 -1.943 -10.834 1.00 0.00 H new ATOM 0 HB3 ALA A 38 65.431 -3.399 -9.814 1.00 0.00 H new ATOM 583 N VAL A 39 68.225 -3.969 -8.508 1.00 0.00 N ATOM 584 CA VAL A 39 68.743 -4.577 -7.251 1.00 0.00 C ATOM 585 C VAL A 39 70.088 -3.937 -6.901 1.00 0.00 C ATOM 586 O VAL A 39 70.283 -3.435 -5.812 1.00 0.00 O ATOM 587 CB VAL A 39 68.926 -6.082 -7.453 1.00 0.00 C ATOM 588 CG1 VAL A 39 68.974 -6.779 -6.091 1.00 0.00 C ATOM 589 CG2 VAL A 39 67.753 -6.631 -8.266 1.00 0.00 C ATOM 0 H VAL A 39 68.294 -4.560 -9.337 1.00 0.00 H new ATOM 0 HA VAL A 39 68.036 -4.406 -6.439 1.00 0.00 H new ATOM 0 HB VAL A 39 69.858 -6.267 -7.987 1.00 0.00 H new ATOM 0 HG11 VAL A 39 69.104 -7.851 -6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 39 69.809 -6.387 -5.511 1.00 0.00 H new ATOM 0 HG13 VAL A 39 68.043 -6.596 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 39 67.881 -7.704 -8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 39 66.821 -6.446 -7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 39 67.719 -6.135 -9.236 1.00 0.00 H new ATOM 599 N ASP A 40 71.015 -3.940 -7.820 1.00 0.00 N ATOM 600 CA ASP A 40 72.342 -3.323 -7.543 1.00 0.00 C ATOM 601 C ASP A 40 72.178 -1.805 -7.460 1.00 0.00 C ATOM 602 O ASP A 40 72.738 -1.155 -6.601 1.00 0.00 O ATOM 603 CB ASP A 40 73.314 -3.672 -8.672 1.00 0.00 C ATOM 604 CG ASP A 40 74.651 -2.967 -8.436 1.00 0.00 C ATOM 605 OD1 ASP A 40 74.709 -1.765 -8.642 1.00 0.00 O ATOM 606 OD2 ASP A 40 75.594 -3.640 -8.055 1.00 0.00 O ATOM 0 H ASP A 40 70.910 -4.343 -8.751 1.00 0.00 H new ATOM 0 HA ASP A 40 72.736 -3.703 -6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 40 73.463 -4.751 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 40 72.896 -3.369 -9.632 1.00 0.00 H new ATOM 611 N TYR A 41 71.406 -1.237 -8.347 1.00 0.00 N ATOM 612 CA TYR A 41 71.195 0.238 -8.321 1.00 0.00 C ATOM 613 C TYR A 41 70.699 0.654 -6.936 1.00 0.00 C ATOM 614 O TYR A 41 71.226 1.561 -6.321 1.00 0.00 O ATOM 615 CB TYR A 41 70.147 0.615 -9.372 1.00 0.00 C ATOM 616 CG TYR A 41 69.979 2.116 -9.412 1.00 0.00 C ATOM 617 CD1 TYR A 41 71.103 2.950 -9.373 1.00 0.00 C ATOM 618 CD2 TYR A 41 68.697 2.673 -9.490 1.00 0.00 C ATOM 619 CE1 TYR A 41 70.944 4.341 -9.413 1.00 0.00 C ATOM 620 CE2 TYR A 41 68.538 4.063 -9.529 1.00 0.00 C ATOM 621 CZ TYR A 41 69.661 4.897 -9.490 1.00 0.00 C ATOM 622 OH TYR A 41 69.504 6.268 -9.530 1.00 0.00 O ATOM 0 H TYR A 41 70.912 -1.732 -9.089 1.00 0.00 H new ATOM 0 HA TYR A 41 72.133 0.748 -8.540 1.00 0.00 H new ATOM 0 HB2 TYR A 41 70.453 0.248 -10.352 1.00 0.00 H new ATOM 0 HB3 TYR A 41 69.195 0.139 -9.136 1.00 0.00 H new ATOM 0 HD1 TYR A 41 72.092 2.521 -9.312 1.00 0.00 H new ATOM 0 HD2 TYR A 41 67.830 2.030 -9.520 1.00 0.00 H new ATOM 0 HE1 TYR A 41 71.811 4.985 -9.384 1.00 0.00 H new ATOM 0 HE2 TYR A 41 67.549 4.492 -9.589 1.00 0.00 H new ATOM 0 HH TYR A 41 68.550 6.487 -9.584 1.00 0.00 H new ATOM 632 N LEU A 42 69.691 -0.007 -6.439 1.00 0.00 N ATOM 633 CA LEU A 42 69.159 0.345 -5.094 1.00 0.00 C ATOM 634 C LEU A 42 70.292 0.280 -4.069 1.00 0.00 C ATOM 635 O LEU A 42 70.583 1.243 -3.386 1.00 0.00 O ATOM 636 CB LEU A 42 68.062 -0.650 -4.705 1.00 0.00 C ATOM 637 CG LEU A 42 66.707 -0.131 -5.186 1.00 0.00 C ATOM 638 CD1 LEU A 42 65.610 -1.119 -4.787 1.00 0.00 C ATOM 639 CD2 LEU A 42 66.424 1.230 -4.543 1.00 0.00 C ATOM 0 H LEU A 42 69.212 -0.777 -6.907 1.00 0.00 H new ATOM 0 HA LEU A 42 68.745 1.353 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.267 -1.625 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 42 68.048 -0.787 -3.624 1.00 0.00 H new ATOM 0 HG LEU A 42 66.724 -0.025 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A 42 64.644 -0.748 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 42 65.810 -2.088 -5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 42 65.593 -1.225 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 42 65.458 1.600 -4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 42 66.408 1.124 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 42 67.205 1.936 -4.827 1.00 0.00 H new ATOM 651 N ALA A 43 70.932 -0.848 -3.960 1.00 0.00 N ATOM 652 CA ALA A 43 72.047 -0.987 -2.982 1.00 0.00 C ATOM 653 C ALA A 43 72.966 0.233 -3.066 1.00 0.00 C ATOM 654 O ALA A 43 73.411 0.757 -2.065 1.00 0.00 O ATOM 655 CB ALA A 43 72.852 -2.248 -3.307 1.00 0.00 C ATOM 0 H ALA A 43 70.731 -1.684 -4.508 1.00 0.00 H new ATOM 0 HA ALA A 43 71.635 -1.060 -1.976 1.00 0.00 H new ATOM 0 HB1 ALA A 43 73.669 -2.352 -2.593 1.00 0.00 H new ATOM 0 HB2 ALA A 43 72.202 -3.121 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 43 73.259 -2.170 -4.315 1.00 0.00 H new ATOM 661 N GLY A 44 73.262 0.684 -4.254 1.00 0.00 N ATOM 662 CA GLY A 44 74.158 1.864 -4.400 1.00 0.00 C ATOM 663 C GLY A 44 73.576 3.057 -3.641 1.00 0.00 C ATOM 664 O GLY A 44 74.269 3.734 -2.907 1.00 0.00 O ATOM 0 H GLY A 44 72.922 0.286 -5.129 1.00 0.00 H new ATOM 0 HA2 GLY A 44 75.151 1.627 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 44 74.275 2.115 -5.454 1.00 0.00 H new ATOM 668 N LYS A 45 72.312 3.325 -3.814 1.00 0.00 N ATOM 669 CA LYS A 45 71.696 4.481 -3.103 1.00 0.00 C ATOM 670 C LYS A 45 71.221 4.047 -1.714 1.00 0.00 C ATOM 671 O LYS A 45 70.664 4.827 -0.968 1.00 0.00 O ATOM 672 CB LYS A 45 70.506 5.004 -3.911 1.00 0.00 C ATOM 673 CG LYS A 45 70.839 6.390 -4.468 1.00 0.00 C ATOM 674 CD LYS A 45 69.843 6.751 -5.572 1.00 0.00 C ATOM 675 CE LYS A 45 70.549 7.583 -6.645 1.00 0.00 C ATOM 676 NZ LYS A 45 71.409 6.695 -7.478 1.00 0.00 N ATOM 0 H LYS A 45 71.680 2.796 -4.415 1.00 0.00 H new ATOM 0 HA LYS A 45 72.439 5.271 -2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 45 70.276 4.318 -4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 45 69.619 5.057 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 45 70.799 7.133 -3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 45 71.855 6.400 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 45 69.429 5.844 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 45 69.007 7.312 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 45 69.813 8.087 -7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 45 71.155 8.359 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 72.189 7.249 -7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 71.797 5.933 -6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 70.841 6.282 -8.245 1.00 0.00 H new ATOM 690 N ILE A 46 71.439 2.811 -1.355 1.00 0.00 N ATOM 691 CA ILE A 46 70.999 2.341 -0.009 1.00 0.00 C ATOM 692 C ILE A 46 72.105 2.620 1.013 1.00 0.00 C ATOM 693 O ILE A 46 71.841 2.964 2.149 1.00 0.00 O ATOM 694 CB ILE A 46 70.704 0.836 -0.059 1.00 0.00 C ATOM 695 CG1 ILE A 46 69.335 0.606 -0.703 1.00 0.00 C ATOM 696 CG2 ILE A 46 70.693 0.258 1.360 1.00 0.00 C ATOM 697 CD1 ILE A 46 69.025 -0.891 -0.723 1.00 0.00 C ATOM 0 H ILE A 46 71.901 2.108 -1.932 1.00 0.00 H new ATOM 0 HA ILE A 46 70.093 2.872 0.285 1.00 0.00 H new ATOM 0 HB ILE A 46 71.478 0.341 -0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 46 68.565 1.140 -0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 46 69.328 1.003 -1.718 1.00 0.00 H new ATOM 0 HG21 ILE A 46 70.483 -0.811 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 46 71.666 0.418 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 46 69.923 0.755 1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 46 68.050 -1.055 -1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 46 69.789 -1.413 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 46 69.015 -1.274 0.297 1.00 0.00 H new ATOM 709 N LYS A 47 73.342 2.470 0.623 1.00 0.00 N ATOM 710 CA LYS A 47 74.460 2.724 1.577 1.00 0.00 C ATOM 711 C LYS A 47 74.900 4.187 1.478 1.00 0.00 C ATOM 712 O LYS A 47 75.833 4.608 2.133 1.00 0.00 O ATOM 713 CB LYS A 47 75.641 1.814 1.232 1.00 0.00 C ATOM 714 CG LYS A 47 76.535 1.647 2.463 1.00 0.00 C ATOM 715 CD LYS A 47 78.004 1.684 2.037 1.00 0.00 C ATOM 716 CE LYS A 47 78.897 1.747 3.278 1.00 0.00 C ATOM 717 NZ LYS A 47 80.117 0.920 3.057 1.00 0.00 N ATOM 0 H LYS A 47 73.627 2.183 -0.313 1.00 0.00 H new ATOM 0 HA LYS A 47 74.122 2.516 2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 47 75.279 0.842 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 47 76.214 2.241 0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 47 76.334 2.441 3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.314 0.703 2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 47 78.245 0.799 1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 47 78.187 2.550 1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 47 79.178 2.780 3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 47 78.352 1.384 4.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 80.723 0.963 3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 79.840 -0.067 2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 80.640 1.285 2.236 1.00 0.00 H new ATOM 731 N LYS A 48 74.238 4.965 0.666 1.00 0.00 N ATOM 732 CA LYS A 48 74.623 6.397 0.529 1.00 0.00 C ATOM 733 C LYS A 48 73.416 7.282 0.848 1.00 0.00 C ATOM 734 O LYS A 48 73.363 7.931 1.875 1.00 0.00 O ATOM 735 CB LYS A 48 75.090 6.665 -0.903 1.00 0.00 C ATOM 736 CG LYS A 48 76.518 7.212 -0.884 1.00 0.00 C ATOM 737 CD LYS A 48 76.479 8.742 -0.874 1.00 0.00 C ATOM 738 CE LYS A 48 77.493 9.271 0.139 1.00 0.00 C ATOM 739 NZ LYS A 48 76.977 9.050 1.520 1.00 0.00 N ATOM 0 H LYS A 48 73.448 4.671 0.092 1.00 0.00 H new ATOM 0 HA LYS A 48 75.433 6.624 1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 48 75.050 5.746 -1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 48 74.423 7.379 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 48 77.047 6.845 -0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 48 77.066 6.857 -1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 48 76.706 9.129 -1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 48 75.478 9.089 -0.618 1.00 0.00 H new ATOM 0 HE2 LYS A 48 78.449 8.764 0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 48 77.671 10.333 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 77.492 9.661 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 75.963 9.280 1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 77.115 8.054 1.787 1.00 0.00 H new ATOM 753 N GLY A 49 72.444 7.312 -0.023 1.00 0.00 N ATOM 754 CA GLY A 49 71.240 8.154 0.230 1.00 0.00 C ATOM 755 C GLY A 49 71.135 9.232 -0.849 1.00 0.00 C ATOM 756 O GLY A 49 71.332 8.972 -2.019 1.00 0.00 O ATOM 0 H GLY A 49 72.432 6.790 -0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 49 70.343 7.534 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 49 71.307 8.616 1.215 1.00 0.00 H new ATOM 760 N GLY A 50 70.827 10.442 -0.467 1.00 0.00 N ATOM 761 CA GLY A 50 70.713 11.534 -1.475 1.00 0.00 C ATOM 762 C GLY A 50 69.255 11.984 -1.585 1.00 0.00 C ATOM 763 O GLY A 50 68.535 12.033 -0.608 1.00 0.00 O ATOM 0 H GLY A 50 70.650 10.721 0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 50 71.343 12.376 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 50 71.070 11.186 -2.444 1.00 0.00 H new ATOM 767 N SER A 51 68.814 12.312 -2.770 1.00 0.00 N ATOM 768 CA SER A 51 67.403 12.756 -2.945 1.00 0.00 C ATOM 769 C SER A 51 67.166 13.144 -4.406 1.00 0.00 C ATOM 770 O SER A 51 68.034 13.685 -5.063 1.00 0.00 O ATOM 771 CB SER A 51 67.131 13.965 -2.048 1.00 0.00 C ATOM 772 OG SER A 51 68.056 14.999 -2.359 1.00 0.00 O ATOM 0 H SER A 51 69.371 12.291 -3.624 1.00 0.00 H new ATOM 0 HA SER A 51 66.732 11.942 -2.671 1.00 0.00 H new ATOM 0 HB2 SER A 51 66.110 14.318 -2.194 1.00 0.00 H new ATOM 0 HB3 SER A 51 67.223 13.682 -0.999 1.00 0.00 H new ATOM 0 HG SER A 51 67.816 15.812 -1.867 1.00 0.00 H new ATOM 778 N GLY A 52 65.999 12.873 -4.921 1.00 0.00 N ATOM 779 CA GLY A 52 65.710 13.228 -6.339 1.00 0.00 C ATOM 780 C GLY A 52 64.743 12.206 -6.942 1.00 0.00 C ATOM 781 O GLY A 52 64.181 12.420 -7.997 1.00 0.00 O ATOM 0 H GLY A 52 65.233 12.421 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 52 65.278 14.227 -6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 52 66.636 13.250 -6.914 1.00 0.00 H new ATOM 785 N VAL A 53 64.546 11.097 -6.283 1.00 0.00 N ATOM 786 CA VAL A 53 63.616 10.067 -6.826 1.00 0.00 C ATOM 787 C VAL A 53 62.303 10.098 -6.041 1.00 0.00 C ATOM 788 O VAL A 53 61.247 9.814 -6.569 1.00 0.00 O ATOM 789 CB VAL A 53 64.255 8.683 -6.692 1.00 0.00 C ATOM 790 CG1 VAL A 53 63.482 7.677 -7.549 1.00 0.00 C ATOM 791 CG2 VAL A 53 65.707 8.748 -7.167 1.00 0.00 C ATOM 0 H VAL A 53 64.987 10.860 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 53 63.416 10.277 -7.877 1.00 0.00 H new ATOM 0 HB VAL A 53 64.225 8.367 -5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 53 63.938 6.691 -7.453 1.00 0.00 H new ATOM 0 HG12 VAL A 53 62.446 7.632 -7.212 1.00 0.00 H new ATOM 0 HG13 VAL A 53 63.511 7.990 -8.593 1.00 0.00 H new ATOM 0 HG21 VAL A 53 66.165 7.763 -7.073 1.00 0.00 H new ATOM 0 HG22 VAL A 53 65.735 9.063 -8.210 1.00 0.00 H new ATOM 0 HG23 VAL A 53 66.258 9.464 -6.557 1.00 0.00 H new ATOM 801 N TRP A 54 62.362 10.436 -4.782 1.00 0.00 N ATOM 802 CA TRP A 54 61.117 10.479 -3.965 1.00 0.00 C ATOM 803 C TRP A 54 60.870 11.908 -3.476 1.00 0.00 C ATOM 804 O TRP A 54 59.849 12.203 -2.888 1.00 0.00 O ATOM 805 CB TRP A 54 61.265 9.544 -2.762 1.00 0.00 C ATOM 806 CG TRP A 54 61.301 8.127 -3.235 1.00 0.00 C ATOM 807 CD1 TRP A 54 62.425 7.402 -3.436 1.00 0.00 C ATOM 808 CD2 TRP A 54 60.185 7.252 -3.570 1.00 0.00 C ATOM 809 NE1 TRP A 54 62.072 6.140 -3.875 1.00 0.00 N ATOM 810 CE2 TRP A 54 60.702 5.998 -3.974 1.00 0.00 C ATOM 811 CE3 TRP A 54 58.790 7.423 -3.564 1.00 0.00 C ATOM 812 CZ2 TRP A 54 59.863 4.952 -4.358 1.00 0.00 C ATOM 813 CZ3 TRP A 54 57.942 6.371 -3.949 1.00 0.00 C ATOM 814 CH2 TRP A 54 58.479 5.139 -4.346 1.00 0.00 C ATOM 0 H TRP A 54 63.217 10.684 -4.285 1.00 0.00 H new ATOM 0 HA TRP A 54 60.273 10.157 -4.575 1.00 0.00 H new ATOM 0 HB2 TRP A 54 62.178 9.779 -2.215 1.00 0.00 H new ATOM 0 HB3 TRP A 54 60.434 9.687 -2.072 1.00 0.00 H new ATOM 0 HD1 TRP A 54 63.434 7.752 -3.279 1.00 0.00 H new ATOM 0 HE1 TRP A 54 62.741 5.404 -4.099 1.00 0.00 H new ATOM 0 HE3 TRP A 54 58.367 8.370 -3.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 60.281 4.004 -4.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 56.871 6.512 -3.939 1.00 0.00 H new ATOM 0 HH2 TRP A 54 57.823 4.334 -4.643 1.00 0.00 H new ATOM 825 N GLY A 55 61.793 12.798 -3.717 1.00 0.00 N ATOM 826 CA GLY A 55 61.604 14.203 -3.264 1.00 0.00 C ATOM 827 C GLY A 55 62.964 14.842 -2.987 1.00 0.00 C ATOM 828 O GLY A 55 63.988 14.363 -3.433 1.00 0.00 O ATOM 0 H GLY A 55 62.668 12.613 -4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 55 61.072 14.773 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.991 14.226 -2.363 1.00 0.00 H new ATOM 832 N SER A 56 62.983 15.920 -2.252 1.00 0.00 N ATOM 833 CA SER A 56 64.276 16.591 -1.946 1.00 0.00 C ATOM 834 C SER A 56 64.819 16.068 -0.614 1.00 0.00 C ATOM 835 O SER A 56 65.970 16.269 -0.280 1.00 0.00 O ATOM 836 CB SER A 56 64.051 18.101 -1.847 1.00 0.00 C ATOM 837 OG SER A 56 64.130 18.672 -3.147 1.00 0.00 O ATOM 0 H SER A 56 62.158 16.365 -1.850 1.00 0.00 H new ATOM 0 HA SER A 56 64.994 16.380 -2.738 1.00 0.00 H new ATOM 0 HB2 SER A 56 63.076 18.307 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 56 64.799 18.550 -1.193 1.00 0.00 H new ATOM 0 HG SER A 56 63.985 19.639 -3.089 1.00 0.00 H new ATOM 843 N VAL A 57 64.000 15.395 0.149 1.00 0.00 N ATOM 844 CA VAL A 57 64.472 14.860 1.459 1.00 0.00 C ATOM 845 C VAL A 57 65.817 14.148 1.266 1.00 0.00 C ATOM 846 O VAL A 57 65.880 13.121 0.620 1.00 0.00 O ATOM 847 CB VAL A 57 63.444 13.865 2.000 1.00 0.00 C ATOM 848 CG1 VAL A 57 63.832 13.452 3.421 1.00 0.00 C ATOM 849 CG2 VAL A 57 62.063 14.521 2.022 1.00 0.00 C ATOM 0 H VAL A 57 63.026 15.193 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 57 64.593 15.681 2.165 1.00 0.00 H new ATOM 0 HB VAL A 57 63.419 12.984 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 57 63.099 12.743 3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 57 64.817 12.985 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 57 63.856 14.333 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 57 61.330 13.813 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 57 62.089 15.402 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 57 61.785 14.817 1.011 1.00 0.00 H new ATOM 859 N PRO A 58 66.857 14.713 1.831 1.00 0.00 N ATOM 860 CA PRO A 58 68.212 14.146 1.732 1.00 0.00 C ATOM 861 C PRO A 58 68.366 12.958 2.688 1.00 0.00 C ATOM 862 O PRO A 58 68.880 13.091 3.782 1.00 0.00 O ATOM 863 CB PRO A 58 69.120 15.306 2.149 1.00 0.00 C ATOM 864 CG PRO A 58 68.245 16.266 2.987 1.00 0.00 C ATOM 865 CD PRO A 58 66.780 15.962 2.617 1.00 0.00 C ATOM 0 HA PRO A 58 68.446 13.766 0.737 1.00 0.00 H new ATOM 0 HB2 PRO A 58 69.968 14.945 2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 58 69.527 15.814 1.275 1.00 0.00 H new ATOM 0 HG2 PRO A 58 68.415 16.114 4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 58 68.492 17.305 2.769 1.00 0.00 H new ATOM 0 HD2 PRO A 58 66.163 15.836 3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 58 66.340 16.772 2.036 1.00 0.00 H new ATOM 873 N MET A 59 67.926 11.797 2.283 1.00 0.00 N ATOM 874 CA MET A 59 68.049 10.604 3.167 1.00 0.00 C ATOM 875 C MET A 59 69.513 10.437 3.592 1.00 0.00 C ATOM 876 O MET A 59 70.408 10.596 2.785 1.00 0.00 O ATOM 877 CB MET A 59 67.597 9.356 2.404 1.00 0.00 C ATOM 878 CG MET A 59 67.969 8.104 3.202 1.00 0.00 C ATOM 879 SD MET A 59 67.723 6.637 2.173 1.00 0.00 S ATOM 880 CE MET A 59 68.829 5.534 3.086 1.00 0.00 C ATOM 0 H MET A 59 67.487 11.624 1.379 1.00 0.00 H new ATOM 0 HA MET A 59 67.424 10.738 4.050 1.00 0.00 H new ATOM 0 HB2 MET A 59 66.520 9.388 2.240 1.00 0.00 H new ATOM 0 HB3 MET A 59 68.069 9.327 1.422 1.00 0.00 H new ATOM 0 HG2 MET A 59 69.008 8.163 3.528 1.00 0.00 H new ATOM 0 HG3 MET A 59 67.356 8.038 4.101 1.00 0.00 H new ATOM 0 HE1 MET A 59 68.901 4.579 2.566 1.00 0.00 H new ATOM 0 HE2 MET A 59 69.819 5.986 3.154 1.00 0.00 H new ATOM 0 HE3 MET A 59 68.434 5.372 4.089 1.00 0.00 H new ATOM 890 N PRO A 60 69.713 10.117 4.847 1.00 0.00 N ATOM 891 CA PRO A 60 71.061 9.921 5.408 1.00 0.00 C ATOM 892 C PRO A 60 71.606 8.539 5.029 1.00 0.00 C ATOM 893 O PRO A 60 70.848 7.616 4.806 1.00 0.00 O ATOM 894 CB PRO A 60 70.839 10.017 6.919 1.00 0.00 C ATOM 895 CG PRO A 60 69.346 9.693 7.162 1.00 0.00 C ATOM 896 CD PRO A 60 68.621 9.924 5.823 1.00 0.00 C ATOM 0 HA PRO A 60 71.786 10.647 5.038 1.00 0.00 H new ATOM 0 HB2 PRO A 60 71.481 9.315 7.451 1.00 0.00 H new ATOM 0 HB3 PRO A 60 71.085 11.014 7.285 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.223 8.663 7.496 1.00 0.00 H new ATOM 0 HG3 PRO A 60 68.933 10.333 7.942 1.00 0.00 H new ATOM 0 HD2 PRO A 60 67.995 9.072 5.557 1.00 0.00 H new ATOM 0 HD3 PRO A 60 67.969 10.796 5.869 1.00 0.00 H new ATOM 904 N PRO A 61 72.909 8.442 4.975 1.00 0.00 N ATOM 905 CA PRO A 61 73.599 7.186 4.633 1.00 0.00 C ATOM 906 C PRO A 61 73.612 6.238 5.836 1.00 0.00 C ATOM 907 O PRO A 61 73.651 6.665 6.973 1.00 0.00 O ATOM 908 CB PRO A 61 75.018 7.642 4.279 1.00 0.00 C ATOM 909 CG PRO A 61 75.222 9.011 4.969 1.00 0.00 C ATOM 910 CD PRO A 61 73.816 9.576 5.250 1.00 0.00 C ATOM 0 HA PRO A 61 73.118 6.638 3.822 1.00 0.00 H new ATOM 0 HB2 PRO A 61 75.756 6.919 4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 61 75.140 7.729 3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 61 75.786 8.898 5.895 1.00 0.00 H new ATOM 0 HG3 PRO A 61 75.790 9.686 4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 61 73.723 9.920 6.280 1.00 0.00 H new ATOM 0 HD3 PRO A 61 73.594 10.429 4.608 1.00 0.00 H new ATOM 918 N GLN A 62 73.576 4.956 5.594 1.00 0.00 N ATOM 919 CA GLN A 62 73.584 3.985 6.721 1.00 0.00 C ATOM 920 C GLN A 62 74.897 3.200 6.706 1.00 0.00 C ATOM 921 O GLN A 62 75.634 3.225 5.740 1.00 0.00 O ATOM 922 CB GLN A 62 72.412 3.016 6.560 1.00 0.00 C ATOM 923 CG GLN A 62 71.207 3.760 5.979 1.00 0.00 C ATOM 924 CD GLN A 62 70.669 4.750 7.012 1.00 0.00 C ATOM 925 OE1 GLN A 62 70.863 4.574 8.199 1.00 0.00 O ATOM 926 NE2 GLN A 62 69.994 5.793 6.610 1.00 0.00 N ATOM 0 H GLN A 62 73.541 4.540 4.663 1.00 0.00 H new ATOM 0 HA GLN A 62 73.490 4.520 7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 62 72.695 2.193 5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 62 72.152 2.580 7.525 1.00 0.00 H new ATOM 0 HG2 GLN A 62 71.496 4.288 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.428 3.050 5.701 1.00 0.00 H new ATOM 0 HE21 GLN A 62 69.831 5.942 5.614 1.00 0.00 H new ATOM 0 HE22 GLN A 62 69.630 6.459 7.292 1.00 0.00 H new ATOM 935 N ASN A 63 75.194 2.500 7.766 1.00 0.00 N ATOM 936 CA ASN A 63 76.457 1.710 7.808 1.00 0.00 C ATOM 937 C ASN A 63 76.147 0.244 7.500 1.00 0.00 C ATOM 938 O ASN A 63 76.031 -0.576 8.388 1.00 0.00 O ATOM 939 CB ASN A 63 77.084 1.819 9.199 1.00 0.00 C ATOM 940 CG ASN A 63 77.012 3.269 9.680 1.00 0.00 C ATOM 941 OD1 ASN A 63 76.737 4.165 8.907 1.00 0.00 O ATOM 942 ND2 ASN A 63 77.248 3.542 10.935 1.00 0.00 N ATOM 0 H ASN A 63 74.617 2.441 8.605 1.00 0.00 H new ATOM 0 HA ASN A 63 77.155 2.099 7.067 1.00 0.00 H new ATOM 0 HB2 ASN A 63 76.560 1.167 9.898 1.00 0.00 H new ATOM 0 HB3 ASN A 63 78.121 1.486 9.169 1.00 0.00 H new ATOM 0 HD21 ASN A 63 77.201 4.506 11.265 1.00 0.00 H new ATOM 0 HD22 ASN A 63 77.479 2.791 11.586 1.00 0.00 H new ATOM 949 N VAL A 64 76.008 -0.092 6.247 1.00 0.00 N ATOM 950 CA VAL A 64 75.702 -1.505 5.886 1.00 0.00 C ATOM 951 C VAL A 64 76.661 -1.978 4.793 1.00 0.00 C ATOM 952 O VAL A 64 77.142 -1.199 3.993 1.00 0.00 O ATOM 953 CB VAL A 64 74.266 -1.598 5.370 1.00 0.00 C ATOM 954 CG1 VAL A 64 73.301 -1.641 6.557 1.00 0.00 C ATOM 955 CG2 VAL A 64 73.955 -0.373 4.507 1.00 0.00 C ATOM 0 H VAL A 64 76.093 0.550 5.459 1.00 0.00 H new ATOM 0 HA VAL A 64 75.818 -2.135 6.768 1.00 0.00 H new ATOM 0 HB VAL A 64 74.151 -2.503 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 64 72.276 -1.707 6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 64 73.523 -2.511 7.175 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.416 -0.735 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.931 -0.438 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 64 74.069 0.531 5.105 1.00 0.00 H new ATOM 0 HG23 VAL A 64 74.643 -0.339 3.662 1.00 0.00 H new ATOM 965 N THR A 65 76.935 -3.252 4.747 1.00 0.00 N ATOM 966 CA THR A 65 77.853 -3.777 3.698 1.00 0.00 C ATOM 967 C THR A 65 77.051 -4.026 2.421 1.00 0.00 C ATOM 968 O THR A 65 75.844 -4.129 2.452 1.00 0.00 O ATOM 969 CB THR A 65 78.480 -5.091 4.177 1.00 0.00 C ATOM 970 OG1 THR A 65 78.173 -5.285 5.551 1.00 0.00 O ATOM 971 CG2 THR A 65 79.998 -5.030 3.996 1.00 0.00 C ATOM 0 H THR A 65 76.563 -3.952 5.390 1.00 0.00 H new ATOM 0 HA THR A 65 78.645 -3.054 3.502 1.00 0.00 H new ATOM 0 HB THR A 65 78.080 -5.920 3.593 1.00 0.00 H new ATOM 0 HG1 THR A 65 78.571 -6.126 5.860 1.00 0.00 H new ATOM 0 HG21 THR A 65 80.443 -5.965 4.337 1.00 0.00 H new ATOM 0 HG22 THR A 65 80.233 -4.879 2.942 1.00 0.00 H new ATOM 0 HG23 THR A 65 80.401 -4.202 4.580 1.00 0.00 H new ATOM 979 N ASP A 66 77.706 -4.118 1.298 1.00 0.00 N ATOM 980 CA ASP A 66 76.964 -4.354 0.028 1.00 0.00 C ATOM 981 C ASP A 66 76.180 -5.665 0.125 1.00 0.00 C ATOM 982 O ASP A 66 75.187 -5.856 -0.549 1.00 0.00 O ATOM 983 CB ASP A 66 77.955 -4.438 -1.135 1.00 0.00 C ATOM 984 CG ASP A 66 77.199 -4.720 -2.434 1.00 0.00 C ATOM 985 OD1 ASP A 66 76.893 -5.875 -2.680 1.00 0.00 O ATOM 986 OD2 ASP A 66 76.937 -3.775 -3.162 1.00 0.00 O ATOM 0 H ASP A 66 78.719 -4.040 1.204 1.00 0.00 H new ATOM 0 HA ASP A 66 76.271 -3.530 -0.143 1.00 0.00 H new ATOM 0 HB2 ASP A 66 78.510 -3.504 -1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 66 78.684 -5.226 -0.948 1.00 0.00 H new ATOM 991 N ALA A 67 76.620 -6.572 0.953 1.00 0.00 N ATOM 992 CA ALA A 67 75.899 -7.869 1.084 1.00 0.00 C ATOM 993 C ALA A 67 74.560 -7.648 1.792 1.00 0.00 C ATOM 994 O ALA A 67 73.516 -8.010 1.287 1.00 0.00 O ATOM 995 CB ALA A 67 76.751 -8.845 1.898 1.00 0.00 C ATOM 0 H ALA A 67 77.446 -6.471 1.543 1.00 0.00 H new ATOM 0 HA ALA A 67 75.717 -8.282 0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 67 76.224 -9.794 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 67 77.702 -9.008 1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 67 76.934 -8.429 2.889 1.00 0.00 H new ATOM 1001 N GLU A 68 74.579 -7.064 2.958 1.00 0.00 N ATOM 1002 CA GLU A 68 73.305 -6.833 3.690 1.00 0.00 C ATOM 1003 C GLU A 68 72.398 -5.918 2.850 1.00 0.00 C ATOM 1004 O GLU A 68 71.190 -6.073 2.826 1.00 0.00 O ATOM 1005 CB GLU A 68 73.619 -6.229 5.078 1.00 0.00 C ATOM 1006 CG GLU A 68 73.299 -4.730 5.143 1.00 0.00 C ATOM 1007 CD GLU A 68 71.872 -4.538 5.661 1.00 0.00 C ATOM 1008 OE1 GLU A 68 70.952 -4.939 4.967 1.00 0.00 O ATOM 1009 OE2 GLU A 68 71.724 -3.999 6.746 1.00 0.00 O ATOM 0 H GLU A 68 75.420 -6.738 3.434 1.00 0.00 H new ATOM 0 HA GLU A 68 72.774 -7.771 3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 68 73.044 -6.755 5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 68 74.673 -6.384 5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 68 74.007 -4.224 5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 68 73.403 -4.281 4.155 1.00 0.00 H new ATOM 1016 N ALA A 69 72.973 -4.980 2.147 1.00 0.00 N ATOM 1017 CA ALA A 69 72.150 -4.077 1.300 1.00 0.00 C ATOM 1018 C ALA A 69 71.549 -4.891 0.156 1.00 0.00 C ATOM 1019 O ALA A 69 70.441 -4.650 -0.281 1.00 0.00 O ATOM 1020 CB ALA A 69 73.029 -2.961 0.729 1.00 0.00 C ATOM 0 H ALA A 69 73.977 -4.802 2.124 1.00 0.00 H new ATOM 0 HA ALA A 69 71.355 -3.631 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 69 72.422 -2.301 0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 69 73.467 -2.389 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 69 73.824 -3.397 0.125 1.00 0.00 H new ATOM 1026 N LYS A 70 72.274 -5.863 -0.327 1.00 0.00 N ATOM 1027 CA LYS A 70 71.750 -6.706 -1.435 1.00 0.00 C ATOM 1028 C LYS A 70 70.492 -7.426 -0.956 1.00 0.00 C ATOM 1029 O LYS A 70 69.522 -7.549 -1.676 1.00 0.00 O ATOM 1030 CB LYS A 70 72.806 -7.736 -1.843 1.00 0.00 C ATOM 1031 CG LYS A 70 73.614 -7.197 -3.026 1.00 0.00 C ATOM 1032 CD LYS A 70 74.034 -8.356 -3.930 1.00 0.00 C ATOM 1033 CE LYS A 70 72.861 -8.760 -4.826 1.00 0.00 C ATOM 1034 NZ LYS A 70 72.968 -8.057 -6.135 1.00 0.00 N ATOM 0 H LYS A 70 73.208 -6.109 -0.000 1.00 0.00 H new ATOM 0 HA LYS A 70 71.513 -6.079 -2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 70 73.468 -7.947 -1.003 1.00 0.00 H new ATOM 0 HB3 LYS A 70 72.326 -8.676 -2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 70 73.018 -6.480 -3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 70 74.495 -6.666 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 70 74.887 -8.063 -4.541 1.00 0.00 H new ATOM 0 HD3 LYS A 70 74.352 -9.205 -3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 70 72.862 -9.839 -4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 70 71.917 -8.508 -4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 72.170 -8.332 -6.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 72.946 -7.029 -5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 73.862 -8.318 -6.597 1.00 0.00 H new ATOM 1048 N GLN A 71 70.497 -7.897 0.263 1.00 0.00 N ATOM 1049 CA GLN A 71 69.300 -8.599 0.796 1.00 0.00 C ATOM 1050 C GLN A 71 68.203 -7.568 1.060 1.00 0.00 C ATOM 1051 O GLN A 71 67.036 -7.895 1.134 1.00 0.00 O ATOM 1052 CB GLN A 71 69.667 -9.318 2.101 1.00 0.00 C ATOM 1053 CG GLN A 71 68.399 -9.635 2.900 1.00 0.00 C ATOM 1054 CD GLN A 71 68.170 -8.543 3.949 1.00 0.00 C ATOM 1055 OE1 GLN A 71 68.996 -8.339 4.817 1.00 0.00 O ATOM 1056 NE2 GLN A 71 67.079 -7.828 3.906 1.00 0.00 N ATOM 0 H GLN A 71 71.281 -7.824 0.911 1.00 0.00 H new ATOM 0 HA GLN A 71 68.945 -9.335 0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 71 70.206 -10.239 1.879 1.00 0.00 H new ATOM 0 HB3 GLN A 71 70.334 -8.693 2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 71 67.541 -9.697 2.231 1.00 0.00 H new ATOM 0 HG3 GLN A 71 68.496 -10.606 3.386 1.00 0.00 H new ATOM 0 HE21 GLN A 71 66.386 -7.999 3.178 1.00 0.00 H new ATOM 0 HE22 GLN A 71 66.920 -7.098 4.601 1.00 0.00 H new ATOM 1065 N LEU A 72 68.566 -6.324 1.203 1.00 0.00 N ATOM 1066 CA LEU A 72 67.536 -5.279 1.457 1.00 0.00 C ATOM 1067 C LEU A 72 66.853 -4.911 0.140 1.00 0.00 C ATOM 1068 O LEU A 72 65.683 -4.588 0.108 1.00 0.00 O ATOM 1069 CB LEU A 72 68.199 -4.033 2.047 1.00 0.00 C ATOM 1070 CG LEU A 72 68.439 -4.235 3.543 1.00 0.00 C ATOM 1071 CD1 LEU A 72 69.364 -3.134 4.063 1.00 0.00 C ATOM 1072 CD2 LEU A 72 67.103 -4.168 4.286 1.00 0.00 C ATOM 0 H LEU A 72 69.527 -5.987 1.155 1.00 0.00 H new ATOM 0 HA LEU A 72 66.798 -5.664 2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 72 69.144 -3.838 1.541 1.00 0.00 H new ATOM 0 HB3 LEU A 72 67.565 -3.161 1.885 1.00 0.00 H new ATOM 0 HG LEU A 72 68.901 -5.208 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 72 69.536 -3.277 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 72 70.315 -3.178 3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 72 68.901 -2.161 3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 72 67.273 -4.312 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 72 66.643 -3.194 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.441 -4.950 3.915 1.00 0.00 H new ATOM 1084 N ALA A 73 67.572 -4.956 -0.947 1.00 0.00 N ATOM 1085 CA ALA A 73 66.955 -4.610 -2.256 1.00 0.00 C ATOM 1086 C ALA A 73 66.264 -5.848 -2.827 1.00 0.00 C ATOM 1087 O ALA A 73 65.304 -5.751 -3.563 1.00 0.00 O ATOM 1088 CB ALA A 73 68.037 -4.130 -3.225 1.00 0.00 C ATOM 0 H ALA A 73 68.557 -5.217 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 73 66.223 -3.814 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 73 67.582 -3.877 -4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 73 68.529 -3.249 -2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 73 68.772 -4.921 -3.370 1.00 0.00 H new ATOM 1094 N GLN A 74 66.739 -7.014 -2.482 1.00 0.00 N ATOM 1095 CA GLN A 74 66.098 -8.255 -2.994 1.00 0.00 C ATOM 1096 C GLN A 74 64.876 -8.559 -2.126 1.00 0.00 C ATOM 1097 O GLN A 74 63.871 -9.054 -2.595 1.00 0.00 O ATOM 1098 CB GLN A 74 67.108 -9.417 -2.949 1.00 0.00 C ATOM 1099 CG GLN A 74 67.023 -10.163 -1.612 1.00 0.00 C ATOM 1100 CD GLN A 74 65.859 -11.156 -1.654 1.00 0.00 C ATOM 1101 OE1 GLN A 74 65.083 -11.240 -0.723 1.00 0.00 O ATOM 1102 NE2 GLN A 74 65.703 -11.916 -2.703 1.00 0.00 N ATOM 0 H GLN A 74 67.541 -7.159 -1.869 1.00 0.00 H new ATOM 0 HA GLN A 74 65.782 -8.124 -4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 74 66.911 -10.108 -3.769 1.00 0.00 H new ATOM 0 HB3 GLN A 74 68.118 -9.032 -3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 74 67.957 -10.690 -1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 74 66.881 -9.454 -0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 74 66.354 -11.846 -3.485 1.00 0.00 H new ATOM 0 HE22 GLN A 74 64.930 -12.580 -2.741 1.00 0.00 H new ATOM 1111 N TRP A 75 64.954 -8.243 -0.862 1.00 0.00 N ATOM 1112 CA TRP A 75 63.798 -8.492 0.040 1.00 0.00 C ATOM 1113 C TRP A 75 62.760 -7.392 -0.188 1.00 0.00 C ATOM 1114 O TRP A 75 61.577 -7.652 -0.292 1.00 0.00 O ATOM 1115 CB TRP A 75 64.277 -8.471 1.496 1.00 0.00 C ATOM 1116 CG TRP A 75 63.107 -8.309 2.415 1.00 0.00 C ATOM 1117 CD1 TRP A 75 62.052 -9.151 2.489 1.00 0.00 C ATOM 1118 CD2 TRP A 75 62.858 -7.254 3.388 1.00 0.00 C ATOM 1119 NE1 TRP A 75 61.171 -8.681 3.447 1.00 0.00 N ATOM 1120 CE2 TRP A 75 61.624 -7.514 4.029 1.00 0.00 C ATOM 1121 CE3 TRP A 75 63.577 -6.109 3.771 1.00 0.00 C ATOM 1122 CZ2 TRP A 75 61.120 -6.667 5.016 1.00 0.00 C ATOM 1123 CZ3 TRP A 75 63.074 -5.254 4.765 1.00 0.00 C ATOM 1124 CH2 TRP A 75 61.847 -5.533 5.386 1.00 0.00 C ATOM 0 H TRP A 75 65.770 -7.823 -0.416 1.00 0.00 H new ATOM 0 HA TRP A 75 63.354 -9.465 -0.170 1.00 0.00 H new ATOM 0 HB2 TRP A 75 64.807 -9.395 1.727 1.00 0.00 H new ATOM 0 HB3 TRP A 75 64.983 -7.654 1.644 1.00 0.00 H new ATOM 0 HD1 TRP A 75 61.919 -10.044 1.897 1.00 0.00 H new ATOM 0 HE1 TRP A 75 60.294 -9.141 3.693 1.00 0.00 H new ATOM 0 HE3 TRP A 75 64.522 -5.885 3.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 60.175 -6.886 5.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 63.635 -4.377 5.053 1.00 0.00 H new ATOM 0 HH2 TRP A 75 61.465 -4.871 6.149 1.00 0.00 H new ATOM 1135 N ILE A 76 63.195 -6.163 -0.282 1.00 0.00 N ATOM 1136 CA ILE A 76 62.235 -5.050 -0.520 1.00 0.00 C ATOM 1137 C ILE A 76 61.548 -5.277 -1.866 1.00 0.00 C ATOM 1138 O ILE A 76 60.369 -5.029 -2.026 1.00 0.00 O ATOM 1139 CB ILE A 76 62.987 -3.718 -0.548 1.00 0.00 C ATOM 1140 CG1 ILE A 76 63.414 -3.339 0.873 1.00 0.00 C ATOM 1141 CG2 ILE A 76 62.074 -2.624 -1.109 1.00 0.00 C ATOM 1142 CD1 ILE A 76 64.309 -2.099 0.823 1.00 0.00 C ATOM 0 H ILE A 76 64.173 -5.884 -0.204 1.00 0.00 H new ATOM 0 HA ILE A 76 61.493 -5.023 0.278 1.00 0.00 H new ATOM 0 HB ILE A 76 63.869 -3.817 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 76 62.536 -3.142 1.488 1.00 0.00 H new ATOM 0 HG13 ILE A 76 63.949 -4.168 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 76 62.611 -1.676 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 76 61.769 -2.889 -2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 76 61.191 -2.528 -0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 76 64.613 -1.829 1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 76 65.193 -2.313 0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 76 63.759 -1.271 0.376 1.00 0.00 H new ATOM 1154 N LEU A 77 62.279 -5.758 -2.835 1.00 0.00 N ATOM 1155 CA LEU A 77 61.674 -6.014 -4.171 1.00 0.00 C ATOM 1156 C LEU A 77 60.770 -7.244 -4.080 1.00 0.00 C ATOM 1157 O LEU A 77 59.806 -7.375 -4.807 1.00 0.00 O ATOM 1158 CB LEU A 77 62.784 -6.268 -5.194 1.00 0.00 C ATOM 1159 CG LEU A 77 63.532 -4.963 -5.473 1.00 0.00 C ATOM 1160 CD1 LEU A 77 64.802 -5.263 -6.270 1.00 0.00 C ATOM 1161 CD2 LEU A 77 62.633 -4.026 -6.282 1.00 0.00 C ATOM 0 H LEU A 77 63.270 -5.985 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 77 61.089 -5.149 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 77 63.475 -7.022 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 77 62.359 -6.660 -6.118 1.00 0.00 H new ATOM 0 HG LEU A 77 63.800 -4.488 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 77 65.335 -4.333 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 77 65.442 -5.933 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 77 64.535 -5.737 -7.214 1.00 0.00 H new ATOM 0 HD21 LEU A 77 63.164 -3.095 -6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 77 62.367 -4.502 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 77 61.727 -3.812 -5.715 1.00 0.00 H new ATOM 1173 N SER A 78 61.073 -8.145 -3.185 1.00 0.00 N ATOM 1174 CA SER A 78 60.231 -9.364 -3.038 1.00 0.00 C ATOM 1175 C SER A 78 59.017 -9.039 -2.162 1.00 0.00 C ATOM 1176 O SER A 78 58.243 -9.906 -1.811 1.00 0.00 O ATOM 1177 CB SER A 78 61.051 -10.475 -2.382 1.00 0.00 C ATOM 1178 OG SER A 78 61.072 -11.610 -3.237 1.00 0.00 O ATOM 0 H SER A 78 61.868 -8.088 -2.549 1.00 0.00 H new ATOM 0 HA SER A 78 59.894 -9.695 -4.020 1.00 0.00 H new ATOM 0 HB2 SER A 78 62.067 -10.129 -2.192 1.00 0.00 H new ATOM 0 HB3 SER A 78 60.619 -10.740 -1.417 1.00 0.00 H new ATOM 0 HG SER A 78 61.598 -12.324 -2.820 1.00 0.00 H new ATOM 1184 N ILE A 79 58.847 -7.793 -1.808 1.00 0.00 N ATOM 1185 CA ILE A 79 57.685 -7.411 -0.958 1.00 0.00 C ATOM 1186 C ILE A 79 56.611 -6.760 -1.835 1.00 0.00 C ATOM 1187 O ILE A 79 56.697 -5.597 -2.178 1.00 0.00 O ATOM 1188 CB ILE A 79 58.148 -6.424 0.120 1.00 0.00 C ATOM 1189 CG1 ILE A 79 58.882 -7.189 1.224 1.00 0.00 C ATOM 1190 CG2 ILE A 79 56.938 -5.708 0.724 1.00 0.00 C ATOM 1191 CD1 ILE A 79 59.208 -6.237 2.376 1.00 0.00 C ATOM 0 H ILE A 79 59.463 -7.024 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 79 57.269 -8.297 -0.478 1.00 0.00 H new ATOM 0 HB ILE A 79 58.815 -5.689 -0.329 1.00 0.00 H new ATOM 0 HG12 ILE A 79 58.264 -8.012 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 79 59.799 -7.627 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 79 57.274 -5.008 1.489 1.00 0.00 H new ATOM 0 HG22 ILE A 79 56.409 -5.164 -0.059 1.00 0.00 H new ATOM 0 HG23 ILE A 79 56.268 -6.441 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 79 59.731 -6.782 3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 79 59.842 -5.429 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 79 58.284 -5.821 2.776 1.00 0.00 H new ATOM 1203 N LYS A 80 55.602 -7.502 -2.201 1.00 0.00 N ATOM 1204 CA LYS A 80 54.525 -6.927 -3.056 1.00 0.00 C ATOM 1205 C LYS A 80 55.079 -6.643 -4.454 1.00 0.00 C ATOM 1206 O LYS A 80 56.286 -6.721 -4.619 1.00 0.00 O ATOM 1207 CB LYS A 80 54.017 -5.624 -2.434 1.00 0.00 C ATOM 1208 CG LYS A 80 52.526 -5.756 -2.116 1.00 0.00 C ATOM 1209 CD LYS A 80 52.251 -5.200 -0.716 1.00 0.00 C ATOM 1210 CE LYS A 80 52.286 -6.341 0.302 1.00 0.00 C ATOM 1211 NZ LYS A 80 52.946 -5.869 1.552 1.00 0.00 N ATOM 1212 OXT LYS A 80 54.287 -6.351 -5.336 1.00 0.00 O ATOM 0 H LYS A 80 55.477 -8.481 -1.945 1.00 0.00 H new ATOM 0 HA LYS A 80 53.702 -7.639 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 80 54.575 -5.401 -1.525 1.00 0.00 H new ATOM 0 HB3 LYS A 80 54.181 -4.793 -3.120 1.00 0.00 H new ATOM 0 HG2 LYS A 80 51.936 -5.215 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 80 52.223 -6.802 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 80 52.996 -4.447 -0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 80 51.279 -4.708 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 80 51.273 -6.681 0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 80 52.827 -7.193 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 53.062 -6.669 2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 53.879 -5.471 1.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 52.358 -5.138 2.000 1.00 0.00 H new