USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 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 25 THR OG1 : rot 180:sc= 0.569 USER MOD Set 1.2: A 28 THR OG1 : rot 83:sc= 0.629 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 120:sc= 0.702 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0503 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -167:sc= 0 (180deg=-0.0448) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0248) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -72:sc= -0.421 USER MOD Single : A 30 CYS SG : rot 180:sc= -1.93 USER MOD Single : A 31 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.32) USER MOD Single : A 39 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.59) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.287 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -179:sc= 0 (180deg=-1.88e-05) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.02) USER MOD Single : A 63 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.7) USER MOD Single : A 65 ASN : amide:sc= -1.86 K(o=-1.9,f=-2.5!) USER MOD Single : A 69 SER OG : rot 108:sc= 1.19 USER MOD Single : A 71 ASN : amide:sc= -3.62 K(o=-3.6,f=-11!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0923 K(o=-0.092,f=-2!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.472 X(o=-0.47,f=0.019) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.0381 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.239 4.331 -10.581 1.00 0.00 N ATOM 2 CA GLY A 1 8.416 5.644 -9.988 1.00 0.00 C ATOM 3 C GLY A 1 7.108 6.397 -9.848 1.00 0.00 C ATOM 4 O GLY A 1 6.116 5.850 -9.368 1.00 0.00 O ATOM 0 H1 GLY A 1 9.161 3.856 -10.655 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.605 3.763 -9.984 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.824 4.431 -11.529 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.877 5.537 -9.006 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.104 6.227 -10.601 1.00 0.00 H new ATOM 8 N SER A 2 7.106 7.659 -10.268 1.00 0.00 N ATOM 9 CA SER A 2 5.912 8.491 -10.182 1.00 0.00 C ATOM 10 C SER A 2 6.025 9.701 -11.105 1.00 0.00 C ATOM 11 O SER A 2 7.125 10.117 -11.469 1.00 0.00 O ATOM 12 CB SER A 2 5.690 8.954 -8.741 1.00 0.00 C ATOM 13 OG SER A 2 6.571 10.011 -8.403 1.00 0.00 O ATOM 0 H SER A 2 7.918 8.127 -10.671 1.00 0.00 H new ATOM 0 HA SER A 2 5.058 7.892 -10.499 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.658 9.283 -8.616 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.843 8.117 -8.059 1.00 0.00 H new ATOM 0 HG SER A 2 6.051 10.804 -8.157 1.00 0.00 H new ATOM 19 N SER A 3 4.879 10.260 -11.480 1.00 0.00 N ATOM 20 CA SER A 3 4.848 11.420 -12.363 1.00 0.00 C ATOM 21 C SER A 3 5.128 12.702 -11.586 1.00 0.00 C ATOM 22 O SER A 3 5.199 13.787 -12.162 1.00 0.00 O ATOM 23 CB SER A 3 3.490 11.519 -13.061 1.00 0.00 C ATOM 24 OG SER A 3 2.435 11.189 -12.174 1.00 0.00 O ATOM 0 H SER A 3 3.960 9.929 -11.186 1.00 0.00 H new ATOM 0 HA SER A 3 5.627 11.295 -13.115 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.346 12.530 -13.442 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.470 10.849 -13.920 1.00 0.00 H new ATOM 0 HG SER A 3 1.578 11.262 -12.644 1.00 0.00 H new ATOM 30 N GLY A 4 5.287 12.569 -10.273 1.00 0.00 N ATOM 31 CA GLY A 4 5.557 13.724 -9.437 1.00 0.00 C ATOM 32 C GLY A 4 6.670 13.471 -8.440 1.00 0.00 C ATOM 33 O GLY A 4 6.562 12.586 -7.591 1.00 0.00 O ATOM 0 H GLY A 4 5.234 11.682 -9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.825 14.571 -10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.649 14.001 -8.901 1.00 0.00 H new ATOM 37 N SER A 5 7.744 14.247 -8.544 1.00 0.00 N ATOM 38 CA SER A 5 8.884 14.098 -7.647 1.00 0.00 C ATOM 39 C SER A 5 8.425 13.717 -6.243 1.00 0.00 C ATOM 40 O SER A 5 8.839 12.692 -5.700 1.00 0.00 O ATOM 41 CB SER A 5 9.693 15.396 -7.596 1.00 0.00 C ATOM 42 OG SER A 5 10.570 15.494 -8.705 1.00 0.00 O ATOM 0 H SER A 5 7.849 14.985 -9.240 1.00 0.00 H new ATOM 0 HA SER A 5 9.516 13.299 -8.033 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.016 16.250 -7.587 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.267 15.435 -6.670 1.00 0.00 H new ATOM 0 HG SER A 5 11.074 16.333 -8.650 1.00 0.00 H new ATOM 48 N SER A 6 7.567 14.548 -5.661 1.00 0.00 N ATOM 49 CA SER A 6 7.054 14.302 -4.319 1.00 0.00 C ATOM 50 C SER A 6 5.998 13.200 -4.335 1.00 0.00 C ATOM 51 O SER A 6 5.495 12.822 -5.392 1.00 0.00 O ATOM 52 CB SER A 6 6.460 15.584 -3.733 1.00 0.00 C ATOM 53 OG SER A 6 7.425 16.620 -3.691 1.00 0.00 O ATOM 0 H SER A 6 7.212 15.398 -6.098 1.00 0.00 H new ATOM 0 HA SER A 6 7.885 13.977 -3.693 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.607 15.901 -4.333 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.087 15.389 -2.728 1.00 0.00 H new ATOM 0 HG SER A 6 7.020 17.429 -3.314 1.00 0.00 H new ATOM 59 N GLY A 7 5.668 12.688 -3.153 1.00 0.00 N ATOM 60 CA GLY A 7 4.675 11.634 -3.053 1.00 0.00 C ATOM 61 C GLY A 7 4.032 11.573 -1.682 1.00 0.00 C ATOM 62 O GLY A 7 4.490 12.225 -0.744 1.00 0.00 O ATOM 0 H GLY A 7 6.070 12.984 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.903 11.793 -3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.144 10.675 -3.274 1.00 0.00 H new ATOM 66 N MET A 8 2.965 10.789 -1.565 1.00 0.00 N ATOM 67 CA MET A 8 2.257 10.646 -0.298 1.00 0.00 C ATOM 68 C MET A 8 2.764 9.432 0.474 1.00 0.00 C ATOM 69 O MET A 8 3.162 8.430 -0.119 1.00 0.00 O ATOM 70 CB MET A 8 0.752 10.519 -0.541 1.00 0.00 C ATOM 71 CG MET A 8 0.138 11.742 -1.203 1.00 0.00 C ATOM 72 SD MET A 8 -0.265 13.042 -0.021 1.00 0.00 S ATOM 73 CE MET A 8 -2.035 13.181 -0.261 1.00 0.00 C ATOM 0 H MET A 8 2.572 10.243 -2.332 1.00 0.00 H new ATOM 0 HA MET A 8 2.447 11.539 0.298 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.566 9.646 -1.166 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.252 10.342 0.411 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.832 12.135 -1.947 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.766 11.447 -1.735 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.397 14.089 0.221 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.255 13.224 -1.328 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.531 12.315 0.178 1.00 0.00 H new ATOM 83 N GLU A 9 2.747 9.529 1.800 1.00 0.00 N ATOM 84 CA GLU A 9 3.206 8.438 2.652 1.00 0.00 C ATOM 85 C GLU A 9 2.031 7.767 3.357 1.00 0.00 C ATOM 86 O GLU A 9 1.290 8.410 4.103 1.00 0.00 O ATOM 87 CB GLU A 9 4.207 8.956 3.686 1.00 0.00 C ATOM 88 CG GLU A 9 5.499 9.475 3.077 1.00 0.00 C ATOM 89 CD GLU A 9 6.429 10.081 4.109 1.00 0.00 C ATOM 90 OE1 GLU A 9 5.941 10.839 4.974 1.00 0.00 O ATOM 91 OE2 GLU A 9 7.644 9.799 4.053 1.00 0.00 O ATOM 0 H GLU A 9 2.420 10.352 2.307 1.00 0.00 H new ATOM 0 HA GLU A 9 3.698 7.699 2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.740 9.755 4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.442 8.154 4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.010 8.658 2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.264 10.224 2.321 1.00 0.00 H new ATOM 98 N LEU A 10 1.865 6.471 3.115 1.00 0.00 N ATOM 99 CA LEU A 10 0.780 5.711 3.726 1.00 0.00 C ATOM 100 C LEU A 10 1.291 4.877 4.896 1.00 0.00 C ATOM 101 O LEU A 10 2.151 4.012 4.727 1.00 0.00 O ATOM 102 CB LEU A 10 0.120 4.803 2.687 1.00 0.00 C ATOM 103 CG LEU A 10 -1.364 4.502 2.906 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.211 5.718 2.563 1.00 0.00 C ATOM 105 CD2 LEU A 10 -1.791 3.300 2.076 1.00 0.00 C ATOM 0 H LEU A 10 2.468 5.925 2.500 1.00 0.00 H new ATOM 0 HA LEU A 10 0.041 6.418 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.236 5.263 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.662 3.858 2.663 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.517 4.264 3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.264 5.486 2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.922 6.554 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.055 5.987 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.849 3.100 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.624 3.510 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.206 2.429 2.370 1.00 0.00 H new ATOM 117 N LYS A 11 0.755 5.141 6.083 1.00 0.00 N ATOM 118 CA LYS A 11 1.153 4.413 7.282 1.00 0.00 C ATOM 119 C LYS A 11 0.168 3.290 7.589 1.00 0.00 C ATOM 120 O LYS A 11 -1.002 3.539 7.880 1.00 0.00 O ATOM 121 CB LYS A 11 1.244 5.366 8.476 1.00 0.00 C ATOM 122 CG LYS A 11 1.929 6.683 8.152 1.00 0.00 C ATOM 123 CD LYS A 11 2.373 7.405 9.413 1.00 0.00 C ATOM 124 CE LYS A 11 3.332 8.542 9.095 1.00 0.00 C ATOM 125 NZ LYS A 11 2.697 9.580 8.237 1.00 0.00 N ATOM 0 H LYS A 11 0.043 5.854 6.240 1.00 0.00 H new ATOM 0 HA LYS A 11 2.134 3.973 7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.239 5.570 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.786 4.873 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.793 6.497 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.247 7.320 7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.501 7.798 9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.856 6.698 10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.675 8.998 10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.213 8.144 8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.347 10.384 8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.485 9.176 7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.815 9.906 8.682 1.00 0.00 H new ATOM 139 N VAL A 12 0.649 2.052 7.523 1.00 0.00 N ATOM 140 CA VAL A 12 -0.188 0.891 7.796 1.00 0.00 C ATOM 141 C VAL A 12 0.414 0.025 8.897 1.00 0.00 C ATOM 142 O VAL A 12 1.611 0.100 9.173 1.00 0.00 O ATOM 143 CB VAL A 12 -0.386 0.032 6.533 1.00 0.00 C ATOM 144 CG1 VAL A 12 -0.720 0.910 5.337 1.00 0.00 C ATOM 145 CG2 VAL A 12 0.854 -0.806 6.260 1.00 0.00 C ATOM 0 H VAL A 12 1.615 1.828 7.283 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.156 1.270 8.124 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.224 -0.644 6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.856 0.286 4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.638 1.462 5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.095 1.612 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.697 -1.407 5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.711 -0.149 6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.043 -1.463 7.109 1.00 0.00 H new ATOM 155 N TRP A 13 -0.423 -0.795 9.521 1.00 0.00 N ATOM 156 CA TRP A 13 0.027 -1.676 10.593 1.00 0.00 C ATOM 157 C TRP A 13 0.160 -3.112 10.098 1.00 0.00 C ATOM 158 O TRP A 13 -0.836 -3.812 9.920 1.00 0.00 O ATOM 159 CB TRP A 13 -0.945 -1.618 11.772 1.00 0.00 C ATOM 160 CG TRP A 13 -0.892 -0.322 12.523 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.701 0.763 12.343 1.00 0.00 C ATOM 162 CD2 TRP A 13 0.020 0.024 13.571 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.347 1.763 13.217 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.294 1.334 13.981 1.00 0.00 C ATOM 165 CE3 TRP A 13 1.070 -0.646 14.204 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.405 1.985 14.994 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.764 0.001 15.209 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.429 1.305 15.597 1.00 0.00 C ATOM 0 H TRP A 13 -1.417 -0.869 9.304 1.00 0.00 H new ATOM 0 HA TRP A 13 1.007 -1.333 10.923 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.959 -1.776 11.405 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.723 -2.436 12.457 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.501 0.826 11.620 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.796 2.676 13.286 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.335 -1.652 13.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.149 2.990 15.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.578 -0.507 15.704 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.989 1.783 16.387 1.00 0.00 H new ATOM 179 N VAL A 14 1.397 -3.545 9.876 1.00 0.00 N ATOM 180 CA VAL A 14 1.660 -4.898 9.402 1.00 0.00 C ATOM 181 C VAL A 14 2.263 -5.760 10.506 1.00 0.00 C ATOM 182 O VAL A 14 3.459 -5.678 10.788 1.00 0.00 O ATOM 183 CB VAL A 14 2.612 -4.894 8.191 1.00 0.00 C ATOM 184 CG1 VAL A 14 2.886 -6.315 7.722 1.00 0.00 C ATOM 185 CG2 VAL A 14 2.034 -4.054 7.062 1.00 0.00 C ATOM 0 H VAL A 14 2.233 -2.978 10.017 1.00 0.00 H new ATOM 0 HA VAL A 14 0.701 -5.319 9.099 1.00 0.00 H new ATOM 0 HB VAL A 14 3.559 -4.449 8.497 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.560 -6.292 6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.346 -6.883 8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.948 -6.790 7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.720 -4.062 6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.073 -4.468 6.756 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.894 -3.029 7.406 1.00 0.00 H new ATOM 195 N ASP A 15 1.429 -6.586 11.127 1.00 0.00 N ATOM 196 CA ASP A 15 1.880 -7.464 12.200 1.00 0.00 C ATOM 197 C ASP A 15 2.393 -6.654 13.386 1.00 0.00 C ATOM 198 O ASP A 15 3.353 -7.045 14.049 1.00 0.00 O ATOM 199 CB ASP A 15 2.977 -8.401 11.693 1.00 0.00 C ATOM 200 CG ASP A 15 3.265 -9.532 12.661 1.00 0.00 C ATOM 201 OD1 ASP A 15 2.301 -10.094 13.220 1.00 0.00 O ATOM 202 OD2 ASP A 15 4.455 -9.855 12.859 1.00 0.00 O ATOM 0 H ASP A 15 0.437 -6.666 10.906 1.00 0.00 H new ATOM 0 HA ASP A 15 1.029 -8.059 12.531 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.679 -8.817 10.731 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.890 -7.830 11.524 1.00 0.00 H new ATOM 207 N GLY A 16 1.746 -5.522 13.648 1.00 0.00 N ATOM 208 CA GLY A 16 2.152 -4.674 14.753 1.00 0.00 C ATOM 209 C GLY A 16 3.332 -3.790 14.403 1.00 0.00 C ATOM 210 O GLY A 16 4.097 -3.387 15.279 1.00 0.00 O ATOM 0 H GLY A 16 0.948 -5.177 13.114 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.311 -4.049 15.055 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.410 -5.297 15.609 1.00 0.00 H new ATOM 214 N VAL A 17 3.481 -3.487 13.117 1.00 0.00 N ATOM 215 CA VAL A 17 4.577 -2.645 12.652 1.00 0.00 C ATOM 216 C VAL A 17 4.068 -1.535 11.739 1.00 0.00 C ATOM 217 O VAL A 17 3.347 -1.793 10.776 1.00 0.00 O ATOM 218 CB VAL A 17 5.637 -3.469 11.898 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.748 -2.567 11.383 1.00 0.00 C ATOM 220 CG2 VAL A 17 6.199 -4.562 12.795 1.00 0.00 C ATOM 0 H VAL A 17 2.857 -3.812 12.379 1.00 0.00 H new ATOM 0 HA VAL A 17 5.034 -2.203 13.537 1.00 0.00 H new ATOM 0 HB VAL A 17 5.160 -3.944 11.040 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.488 -3.167 10.853 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.329 -1.825 10.704 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.225 -2.062 12.223 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.947 -5.135 12.246 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.661 -4.110 13.673 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.393 -5.225 13.109 1.00 0.00 H new ATOM 230 N GLN A 18 4.449 -0.300 12.049 1.00 0.00 N ATOM 231 CA GLN A 18 4.030 0.849 11.256 1.00 0.00 C ATOM 232 C GLN A 18 4.905 1.003 10.016 1.00 0.00 C ATOM 233 O GLN A 18 5.886 1.746 10.025 1.00 0.00 O ATOM 234 CB GLN A 18 4.089 2.125 12.097 1.00 0.00 C ATOM 235 CG GLN A 18 3.585 3.360 11.367 1.00 0.00 C ATOM 236 CD GLN A 18 3.267 4.505 12.308 1.00 0.00 C ATOM 237 OE1 GLN A 18 4.147 5.018 13.000 1.00 0.00 O ATOM 238 NE2 GLN A 18 2.004 4.913 12.339 1.00 0.00 N ATOM 0 H GLN A 18 5.047 -0.070 12.843 1.00 0.00 H new ATOM 0 HA GLN A 18 3.002 0.681 10.935 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.498 1.981 13.001 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.118 2.295 12.413 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.337 3.684 10.648 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.691 3.102 10.799 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.307 4.459 11.749 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.731 5.680 12.953 1.00 0.00 H new ATOM 247 N ARG A 19 4.542 0.295 8.951 1.00 0.00 N ATOM 248 CA ARG A 19 5.295 0.352 7.704 1.00 0.00 C ATOM 249 C ARG A 19 4.776 1.471 6.806 1.00 0.00 C ATOM 250 O ARG A 19 3.604 1.486 6.430 1.00 0.00 O ATOM 251 CB ARG A 19 5.208 -0.987 6.969 1.00 0.00 C ATOM 252 CG ARG A 19 5.879 -2.133 7.710 1.00 0.00 C ATOM 253 CD ARG A 19 6.142 -3.313 6.789 1.00 0.00 C ATOM 254 NE ARG A 19 6.684 -4.461 7.511 1.00 0.00 N ATOM 255 CZ ARG A 19 7.942 -4.540 7.928 1.00 0.00 C ATOM 256 NH1 ARG A 19 8.785 -3.543 7.696 1.00 0.00 N ATOM 257 NH2 ARG A 19 8.360 -5.618 8.579 1.00 0.00 N ATOM 0 H ARG A 19 3.732 -0.324 8.927 1.00 0.00 H new ATOM 0 HA ARG A 19 6.337 0.558 7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.159 -1.235 6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.667 -0.883 5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.820 -1.789 8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.247 -2.451 8.539 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.214 -3.601 6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 19 6.840 -3.014 6.007 1.00 0.00 H new ATOM 0 HE ARG A 19 6.062 -5.245 7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.468 -2.713 7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.751 -3.607 8.018 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.715 -6.387 8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.327 -5.678 8.899 1.00 0.00 H new ATOM 271 N ILE A 20 5.657 2.406 6.466 1.00 0.00 N ATOM 272 CA ILE A 20 5.288 3.529 5.612 1.00 0.00 C ATOM 273 C ILE A 20 5.592 3.229 4.148 1.00 0.00 C ATOM 274 O ILE A 20 6.715 2.865 3.798 1.00 0.00 O ATOM 275 CB ILE A 20 6.025 4.816 6.024 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.689 5.181 7.472 1.00 0.00 C ATOM 277 CG2 ILE A 20 5.662 5.958 5.087 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.525 6.317 8.019 1.00 0.00 C ATOM 0 H ILE A 20 6.631 2.408 6.769 1.00 0.00 H new ATOM 0 HA ILE A 20 4.215 3.680 5.735 1.00 0.00 H new ATOM 0 HB ILE A 20 7.098 4.641 5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.635 5.453 7.534 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.829 4.302 8.101 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.191 6.861 5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.947 5.697 4.068 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.587 6.136 5.129 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.232 6.521 9.049 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.579 6.040 7.989 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.367 7.209 7.413 1.00 0.00 H new ATOM 290 N VAL A 21 4.584 3.386 3.296 1.00 0.00 N ATOM 291 CA VAL A 21 4.744 3.135 1.868 1.00 0.00 C ATOM 292 C VAL A 21 5.094 4.417 1.121 1.00 0.00 C ATOM 293 O VAL A 21 4.366 5.408 1.193 1.00 0.00 O ATOM 294 CB VAL A 21 3.466 2.531 1.258 1.00 0.00 C ATOM 295 CG1 VAL A 21 3.705 2.122 -0.187 1.00 0.00 C ATOM 296 CG2 VAL A 21 2.990 1.345 2.084 1.00 0.00 C ATOM 0 H VAL A 21 3.648 3.686 3.569 1.00 0.00 H new ATOM 0 HA VAL A 21 5.561 2.421 1.761 1.00 0.00 H new ATOM 0 HB VAL A 21 2.685 3.291 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.790 1.697 -0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.995 2.996 -0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.501 1.379 -0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.086 0.931 1.638 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.767 0.581 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.776 1.673 3.101 1.00 0.00 H new ATOM 306 N CYS A 22 6.211 4.391 0.403 1.00 0.00 N ATOM 307 CA CYS A 22 6.659 5.552 -0.358 1.00 0.00 C ATOM 308 C CYS A 22 6.272 5.420 -1.828 1.00 0.00 C ATOM 309 O CYS A 22 6.094 4.314 -2.337 1.00 0.00 O ATOM 310 CB CYS A 22 8.173 5.719 -0.230 1.00 0.00 C ATOM 311 SG CYS A 22 8.739 6.049 1.455 1.00 0.00 S ATOM 0 H CYS A 22 6.823 3.578 0.332 1.00 0.00 H new ATOM 0 HA CYS A 22 6.168 6.435 0.051 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.660 4.814 -0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.494 6.536 -0.876 1.00 0.00 H new ATOM 0 HG CYS A 22 10.033 6.173 1.462 1.00 0.00 H new ATOM 317 N GLY A 23 6.142 6.557 -2.505 1.00 0.00 N ATOM 318 CA GLY A 23 5.775 6.546 -3.909 1.00 0.00 C ATOM 319 C GLY A 23 4.298 6.278 -4.121 1.00 0.00 C ATOM 320 O GLY A 23 3.914 5.587 -5.064 1.00 0.00 O ATOM 0 H GLY A 23 6.284 7.485 -2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.035 7.505 -4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.357 5.784 -4.427 1.00 0.00 H new ATOM 324 N VAL A 24 3.467 6.824 -3.239 1.00 0.00 N ATOM 325 CA VAL A 24 2.024 6.640 -3.333 1.00 0.00 C ATOM 326 C VAL A 24 1.342 7.897 -3.861 1.00 0.00 C ATOM 327 O VAL A 24 1.460 8.974 -3.275 1.00 0.00 O ATOM 328 CB VAL A 24 1.414 6.275 -1.966 1.00 0.00 C ATOM 329 CG1 VAL A 24 -0.097 6.138 -2.074 1.00 0.00 C ATOM 330 CG2 VAL A 24 2.037 4.994 -1.430 1.00 0.00 C ATOM 0 H VAL A 24 3.769 7.397 -2.451 1.00 0.00 H new ATOM 0 HA VAL A 24 1.855 5.819 -4.029 1.00 0.00 H new ATOM 0 HB VAL A 24 1.632 7.080 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.510 5.880 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.525 7.082 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.341 5.353 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.595 4.751 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.852 4.179 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.112 5.134 -1.312 1.00 0.00 H new ATOM 340 N THR A 25 0.627 7.753 -4.973 1.00 0.00 N ATOM 341 CA THR A 25 -0.073 8.877 -5.581 1.00 0.00 C ATOM 342 C THR A 25 -1.578 8.638 -5.606 1.00 0.00 C ATOM 343 O THR A 25 -2.053 7.571 -5.219 1.00 0.00 O ATOM 344 CB THR A 25 0.418 9.134 -7.019 1.00 0.00 C ATOM 345 OG1 THR A 25 0.722 7.891 -7.662 1.00 0.00 O ATOM 346 CG2 THR A 25 1.651 10.025 -7.018 1.00 0.00 C ATOM 0 H THR A 25 0.518 6.869 -5.470 1.00 0.00 H new ATOM 0 HA THR A 25 0.144 9.753 -4.969 1.00 0.00 H new ATOM 0 HB THR A 25 -0.377 9.641 -7.566 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.032 8.063 -8.576 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.980 10.193 -8.044 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.409 10.981 -6.554 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.449 9.541 -6.456 1.00 0.00 H new ATOM 354 N GLU A 26 -2.324 9.639 -6.064 1.00 0.00 N ATOM 355 CA GLU A 26 -3.777 9.536 -6.139 1.00 0.00 C ATOM 356 C GLU A 26 -4.197 8.541 -7.217 1.00 0.00 C ATOM 357 O GLU A 26 -5.085 7.715 -7.004 1.00 0.00 O ATOM 358 CB GLU A 26 -4.394 10.907 -6.426 1.00 0.00 C ATOM 359 CG GLU A 26 -4.174 11.918 -5.313 1.00 0.00 C ATOM 360 CD GLU A 26 -5.087 13.123 -5.431 1.00 0.00 C ATOM 361 OE1 GLU A 26 -4.905 13.915 -6.378 1.00 0.00 O ATOM 362 OE2 GLU A 26 -5.984 13.272 -4.574 1.00 0.00 O ATOM 0 H GLU A 26 -1.947 10.529 -6.388 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.140 9.177 -5.176 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.972 11.300 -7.351 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.465 10.787 -6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.339 11.435 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.136 12.250 -5.329 1.00 0.00 H new ATOM 369 N VAL A 27 -3.553 8.628 -8.377 1.00 0.00 N ATOM 370 CA VAL A 27 -3.859 7.736 -9.489 1.00 0.00 C ATOM 371 C VAL A 27 -3.699 6.275 -9.083 1.00 0.00 C ATOM 372 O VAL A 27 -4.449 5.408 -9.532 1.00 0.00 O ATOM 373 CB VAL A 27 -2.954 8.022 -10.703 1.00 0.00 C ATOM 374 CG1 VAL A 27 -3.247 9.400 -11.275 1.00 0.00 C ATOM 375 CG2 VAL A 27 -1.488 7.898 -10.314 1.00 0.00 C ATOM 0 H VAL A 27 -2.817 9.307 -8.571 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.897 7.921 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.166 7.282 -11.475 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.598 9.584 -12.131 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.289 9.448 -11.592 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.064 10.157 -10.512 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.862 8.103 -11.183 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.259 8.614 -9.525 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.291 6.888 -9.955 1.00 0.00 H new ATOM 385 N THR A 28 -2.717 6.009 -8.228 1.00 0.00 N ATOM 386 CA THR A 28 -2.457 4.653 -7.760 1.00 0.00 C ATOM 387 C THR A 28 -3.691 4.056 -7.092 1.00 0.00 C ATOM 388 O THR A 28 -4.191 4.587 -6.100 1.00 0.00 O ATOM 389 CB THR A 28 -1.282 4.617 -6.765 1.00 0.00 C ATOM 390 OG1 THR A 28 -0.120 5.209 -7.358 1.00 0.00 O ATOM 391 CG2 THR A 28 -0.971 3.188 -6.347 1.00 0.00 C ATOM 0 H THR A 28 -2.088 6.715 -7.845 1.00 0.00 H new ATOM 0 HA THR A 28 -2.199 4.060 -8.638 1.00 0.00 H new ATOM 0 HB THR A 28 -1.567 5.184 -5.879 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.165 6.183 -7.263 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.138 3.188 -5.644 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.848 2.749 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.704 2.602 -7.226 1.00 0.00 H new ATOM 399 N THR A 29 -4.179 2.948 -7.643 1.00 0.00 N ATOM 400 CA THR A 29 -5.355 2.279 -7.101 1.00 0.00 C ATOM 401 C THR A 29 -5.008 1.492 -5.842 1.00 0.00 C ATOM 402 O THR A 29 -3.864 1.075 -5.655 1.00 0.00 O ATOM 403 CB THR A 29 -5.983 1.325 -8.133 1.00 0.00 C ATOM 404 OG1 THR A 29 -5.001 0.395 -8.603 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.558 2.101 -9.308 1.00 0.00 C ATOM 0 H THR A 29 -3.777 2.496 -8.464 1.00 0.00 H new ATOM 0 HA THR A 29 -6.076 3.058 -6.852 1.00 0.00 H new ATOM 0 HB THR A 29 -6.793 0.781 -7.646 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.366 0.858 -9.189 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.996 1.406 -10.024 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.327 2.786 -8.950 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.764 2.668 -9.793 1.00 0.00 H new ATOM 413 N CYS A 30 -6.001 1.291 -4.983 1.00 0.00 N ATOM 414 CA CYS A 30 -5.801 0.553 -3.741 1.00 0.00 C ATOM 415 C CYS A 30 -5.006 -0.725 -3.991 1.00 0.00 C ATOM 416 O CYS A 30 -4.064 -1.032 -3.261 1.00 0.00 O ATOM 417 CB CYS A 30 -7.148 0.214 -3.102 1.00 0.00 C ATOM 418 SG CYS A 30 -7.924 1.598 -2.236 1.00 0.00 S ATOM 0 H CYS A 30 -6.953 1.629 -5.124 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.233 1.185 -3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.826 -0.142 -3.877 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.008 -0.608 -2.399 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.059 1.213 -1.732 1.00 0.00 H new ATOM 424 N GLN A 31 -5.394 -1.465 -5.024 1.00 0.00 N ATOM 425 CA GLN A 31 -4.719 -2.710 -5.368 1.00 0.00 C ATOM 426 C GLN A 31 -3.214 -2.496 -5.499 1.00 0.00 C ATOM 427 O GLN A 31 -2.429 -3.063 -4.740 1.00 0.00 O ATOM 428 CB GLN A 31 -5.281 -3.277 -6.672 1.00 0.00 C ATOM 429 CG GLN A 31 -4.477 -4.443 -7.226 1.00 0.00 C ATOM 430 CD GLN A 31 -4.790 -5.751 -6.528 1.00 0.00 C ATOM 431 OE1 GLN A 31 -3.901 -6.406 -5.982 1.00 0.00 O ATOM 432 NE2 GLN A 31 -6.060 -6.141 -6.542 1.00 0.00 N ATOM 0 H GLN A 31 -6.172 -1.224 -5.637 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.897 -3.424 -4.564 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.308 -3.602 -6.504 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.316 -2.483 -7.418 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.681 -4.546 -8.292 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.413 -4.227 -7.125 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.764 -5.568 -7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.331 -7.014 -6.089 1.00 0.00 H new ATOM 441 N GLU A 32 -2.821 -1.674 -6.467 1.00 0.00 N ATOM 442 CA GLU A 32 -1.410 -1.386 -6.697 1.00 0.00 C ATOM 443 C GLU A 32 -0.649 -1.303 -5.378 1.00 0.00 C ATOM 444 O GLU A 32 0.406 -1.917 -5.217 1.00 0.00 O ATOM 445 CB GLU A 32 -1.254 -0.076 -7.472 1.00 0.00 C ATOM 446 CG GLU A 32 -1.842 -0.123 -8.873 1.00 0.00 C ATOM 447 CD GLU A 32 -1.744 1.209 -9.591 1.00 0.00 C ATOM 448 OE1 GLU A 32 -0.642 1.797 -9.602 1.00 0.00 O ATOM 449 OE2 GLU A 32 -2.769 1.663 -10.142 1.00 0.00 O ATOM 0 H GLU A 32 -3.459 -1.196 -7.104 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.991 -2.201 -7.287 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.734 0.727 -6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.195 0.172 -7.540 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.323 -0.885 -9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.888 -0.424 -8.814 1.00 0.00 H new ATOM 456 N VAL A 33 -1.192 -0.540 -4.435 1.00 0.00 N ATOM 457 CA VAL A 33 -0.566 -0.376 -3.128 1.00 0.00 C ATOM 458 C VAL A 33 -0.343 -1.725 -2.453 1.00 0.00 C ATOM 459 O VAL A 33 0.787 -2.089 -2.128 1.00 0.00 O ATOM 460 CB VAL A 33 -1.418 0.514 -2.205 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.776 0.626 -0.830 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.616 1.889 -2.824 1.00 0.00 C ATOM 0 H VAL A 33 -2.065 -0.025 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 33 0.397 0.106 -3.296 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.397 0.051 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.392 1.259 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.692 -0.366 -0.386 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.217 1.065 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.221 2.504 -2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.646 2.363 -2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.123 1.787 -3.783 1.00 0.00 H new ATOM 472 N VAL A 34 -1.429 -2.463 -2.245 1.00 0.00 N ATOM 473 CA VAL A 34 -1.353 -3.773 -1.610 1.00 0.00 C ATOM 474 C VAL A 34 -0.130 -4.546 -2.090 1.00 0.00 C ATOM 475 O VAL A 34 0.750 -4.889 -1.301 1.00 0.00 O ATOM 476 CB VAL A 34 -2.617 -4.607 -1.889 1.00 0.00 C ATOM 477 CG1 VAL A 34 -2.485 -5.996 -1.285 1.00 0.00 C ATOM 478 CG2 VAL A 34 -3.851 -3.898 -1.353 1.00 0.00 C ATOM 0 H VAL A 34 -2.372 -2.176 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.272 -3.600 -0.537 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.729 -4.716 -2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.388 -6.570 -1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.624 -6.502 -1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.348 -5.912 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.735 -4.501 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.751 -3.756 -0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.953 -2.928 -1.839 1.00 0.00 H new ATOM 488 N ILE A 35 -0.083 -4.818 -3.390 1.00 0.00 N ATOM 489 CA ILE A 35 1.033 -5.550 -3.977 1.00 0.00 C ATOM 490 C ILE A 35 2.366 -5.055 -3.425 1.00 0.00 C ATOM 491 O ILE A 35 3.269 -5.846 -3.156 1.00 0.00 O ATOM 492 CB ILE A 35 1.046 -5.422 -5.511 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.221 -6.040 -6.107 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.287 -6.086 -6.088 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.545 -5.534 -7.495 1.00 0.00 C ATOM 0 H ILE A 35 -0.804 -4.543 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 35 0.898 -6.598 -3.710 1.00 0.00 H new ATOM 0 HB ILE A 35 1.069 -4.364 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.105 -7.123 -6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.063 -5.830 -5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.281 -5.987 -7.173 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.178 -5.605 -5.684 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.292 -7.143 -5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.455 -6.015 -7.854 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.693 -4.455 -7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.279 -5.768 -8.169 1.00 0.00 H new ATOM 507 N ALA A 36 2.480 -3.742 -3.259 1.00 0.00 N ATOM 508 CA ALA A 36 3.701 -3.141 -2.736 1.00 0.00 C ATOM 509 C ALA A 36 4.077 -3.748 -1.388 1.00 0.00 C ATOM 510 O ALA A 36 5.246 -4.036 -1.131 1.00 0.00 O ATOM 511 CB ALA A 36 3.536 -1.634 -2.611 1.00 0.00 C ATOM 0 H ALA A 36 1.742 -3.074 -3.479 1.00 0.00 H new ATOM 0 HA ALA A 36 4.509 -3.350 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.455 -1.199 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.322 -1.209 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.712 -1.413 -1.932 1.00 0.00 H new ATOM 517 N LEU A 37 3.080 -3.938 -0.531 1.00 0.00 N ATOM 518 CA LEU A 37 3.306 -4.510 0.792 1.00 0.00 C ATOM 519 C LEU A 37 3.806 -5.947 0.685 1.00 0.00 C ATOM 520 O LEU A 37 4.877 -6.281 1.191 1.00 0.00 O ATOM 521 CB LEU A 37 2.018 -4.465 1.615 1.00 0.00 C ATOM 522 CG LEU A 37 1.654 -3.109 2.220 1.00 0.00 C ATOM 523 CD1 LEU A 37 2.487 -2.837 3.463 1.00 0.00 C ATOM 524 CD2 LEU A 37 1.845 -2.000 1.195 1.00 0.00 C ATOM 0 H LEU A 37 2.107 -3.704 -0.728 1.00 0.00 H new ATOM 0 HA LEU A 37 4.070 -3.916 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.194 -4.790 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.102 -5.190 2.424 1.00 0.00 H new ATOM 0 HG LEU A 37 0.604 -3.133 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.214 -1.867 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.301 -3.615 4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.544 -2.833 3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.581 -1.042 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.886 -1.976 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.204 -2.187 0.333 1.00 0.00 H new ATOM 536 N ALA A 38 3.025 -6.792 0.021 1.00 0.00 N ATOM 537 CA ALA A 38 3.390 -8.192 -0.155 1.00 0.00 C ATOM 538 C ALA A 38 4.848 -8.330 -0.581 1.00 0.00 C ATOM 539 O ALA A 38 5.574 -9.183 -0.072 1.00 0.00 O ATOM 540 CB ALA A 38 2.476 -8.851 -1.178 1.00 0.00 C ATOM 0 H ALA A 38 2.135 -6.531 -0.404 1.00 0.00 H new ATOM 0 HA ALA A 38 3.269 -8.696 0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.760 -9.896 -1.300 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.443 -8.793 -0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.569 -8.336 -2.134 1.00 0.00 H new ATOM 546 N GLN A 39 5.269 -7.485 -1.517 1.00 0.00 N ATOM 547 CA GLN A 39 6.640 -7.514 -2.011 1.00 0.00 C ATOM 548 C GLN A 39 7.623 -7.128 -0.911 1.00 0.00 C ATOM 549 O GLN A 39 8.737 -7.648 -0.849 1.00 0.00 O ATOM 550 CB GLN A 39 6.795 -6.570 -3.204 1.00 0.00 C ATOM 551 CG GLN A 39 6.515 -7.232 -4.544 1.00 0.00 C ATOM 552 CD GLN A 39 7.522 -8.314 -4.882 1.00 0.00 C ATOM 553 OE1 GLN A 39 8.720 -8.161 -4.639 1.00 0.00 O ATOM 554 NE2 GLN A 39 7.042 -9.415 -5.447 1.00 0.00 N ATOM 0 H GLN A 39 4.680 -6.772 -1.948 1.00 0.00 H new ATOM 0 HA GLN A 39 6.862 -8.532 -2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.119 -5.724 -3.078 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.809 -6.170 -3.211 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.514 -7.664 -4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.524 -6.475 -5.328 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.042 -9.500 -5.630 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.673 -10.176 -5.698 1.00 0.00 H new ATOM 563 N ALA A 40 7.204 -6.212 -0.044 1.00 0.00 N ATOM 564 CA ALA A 40 8.047 -5.757 1.055 1.00 0.00 C ATOM 565 C ALA A 40 8.189 -6.838 2.122 1.00 0.00 C ATOM 566 O ALA A 40 9.295 -7.141 2.568 1.00 0.00 O ATOM 567 CB ALA A 40 7.479 -4.483 1.663 1.00 0.00 C ATOM 0 H ALA A 40 6.285 -5.770 -0.081 1.00 0.00 H new ATOM 0 HA ALA A 40 9.039 -5.545 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.118 -4.154 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.436 -3.704 0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.475 -4.676 2.041 1.00 0.00 H new ATOM 573 N ILE A 41 7.062 -7.414 2.526 1.00 0.00 N ATOM 574 CA ILE A 41 7.062 -8.461 3.541 1.00 0.00 C ATOM 575 C ILE A 41 7.632 -9.763 2.987 1.00 0.00 C ATOM 576 O ILE A 41 8.145 -10.595 3.734 1.00 0.00 O ATOM 577 CB ILE A 41 5.643 -8.723 4.079 1.00 0.00 C ATOM 578 CG1 ILE A 41 4.715 -9.159 2.943 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.099 -7.479 4.767 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.250 -8.925 3.236 1.00 0.00 C ATOM 0 H ILE A 41 6.138 -7.174 2.167 1.00 0.00 H new ATOM 0 HA ILE A 41 7.692 -8.109 4.358 1.00 0.00 H new ATOM 0 HB ILE A 41 5.692 -9.528 4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.986 -8.619 2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.872 -10.219 2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.095 -7.680 5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.750 -7.209 5.599 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.062 -6.656 4.054 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.652 -9.257 2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.963 -9.486 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.078 -7.862 3.407 1.00 0.00 H new ATOM 592 N GLY A 42 7.539 -9.931 1.672 1.00 0.00 N ATOM 593 CA GLY A 42 8.051 -11.133 1.040 1.00 0.00 C ATOM 594 C GLY A 42 6.970 -12.168 0.799 1.00 0.00 C ATOM 595 O GLY A 42 6.713 -12.554 -0.341 1.00 0.00 O ATOM 0 H GLY A 42 7.118 -9.257 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.516 -10.870 0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.830 -11.566 1.667 1.00 0.00 H new ATOM 599 N ARG A 43 6.335 -12.619 1.876 1.00 0.00 N ATOM 600 CA ARG A 43 5.277 -13.617 1.777 1.00 0.00 C ATOM 601 C ARG A 43 4.424 -13.384 0.534 1.00 0.00 C ATOM 602 O ARG A 43 4.156 -12.242 0.156 1.00 0.00 O ATOM 603 CB ARG A 43 4.396 -13.584 3.027 1.00 0.00 C ATOM 604 CG ARG A 43 3.056 -14.279 2.847 1.00 0.00 C ATOM 605 CD ARG A 43 2.459 -14.692 4.183 1.00 0.00 C ATOM 606 NE ARG A 43 3.343 -15.589 4.924 1.00 0.00 N ATOM 607 CZ ARG A 43 2.995 -16.197 6.052 1.00 0.00 C ATOM 608 NH1 ARG A 43 1.787 -16.008 6.566 1.00 0.00 N ATOM 609 NH2 ARG A 43 3.855 -16.999 6.667 1.00 0.00 N ATOM 0 H ARG A 43 6.535 -12.309 2.827 1.00 0.00 H new ATOM 0 HA ARG A 43 5.745 -14.598 1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.932 -14.055 3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.222 -12.546 3.311 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.366 -13.613 2.329 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.183 -15.159 2.216 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.260 -13.803 4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.501 -15.184 4.015 1.00 0.00 H new ATOM 0 HE ARG A 43 4.279 -15.757 4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 43 1.123 -15.394 6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.523 -16.476 7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.784 -17.149 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.587 -17.466 7.533 1.00 0.00 H new ATOM 623 N THR A 44 3.999 -14.473 -0.100 1.00 0.00 N ATOM 624 CA THR A 44 3.178 -14.387 -1.301 1.00 0.00 C ATOM 625 C THR A 44 1.764 -14.893 -1.038 1.00 0.00 C ATOM 626 O THR A 44 1.573 -16.012 -0.563 1.00 0.00 O ATOM 627 CB THR A 44 3.793 -15.194 -2.460 1.00 0.00 C ATOM 628 OG1 THR A 44 5.102 -14.700 -2.760 1.00 0.00 O ATOM 629 CG2 THR A 44 2.917 -15.111 -3.701 1.00 0.00 C ATOM 0 H THR A 44 4.210 -15.425 0.199 1.00 0.00 H new ATOM 0 HA THR A 44 3.138 -13.335 -1.582 1.00 0.00 H new ATOM 0 HB THR A 44 3.861 -16.237 -2.152 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.487 -15.219 -3.497 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.371 -15.688 -4.506 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.930 -15.515 -3.477 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.822 -14.070 -4.010 1.00 0.00 H new ATOM 637 N GLY A 45 0.775 -14.062 -1.350 1.00 0.00 N ATOM 638 CA GLY A 45 -0.609 -14.444 -1.141 1.00 0.00 C ATOM 639 C GLY A 45 -1.576 -13.322 -1.465 1.00 0.00 C ATOM 640 O GLY A 45 -1.430 -12.643 -2.481 1.00 0.00 O ATOM 0 H GLY A 45 0.907 -13.131 -1.744 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.841 -15.310 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.746 -14.749 -0.104 1.00 0.00 H new ATOM 644 N ARG A 46 -2.567 -13.129 -0.600 1.00 0.00 N ATOM 645 CA ARG A 46 -3.563 -12.083 -0.802 1.00 0.00 C ATOM 646 C ARG A 46 -3.654 -11.177 0.422 1.00 0.00 C ATOM 647 O ARG A 46 -3.352 -11.594 1.541 1.00 0.00 O ATOM 648 CB ARG A 46 -4.931 -12.702 -1.095 1.00 0.00 C ATOM 649 CG ARG A 46 -5.087 -13.185 -2.528 1.00 0.00 C ATOM 650 CD ARG A 46 -6.539 -13.493 -2.857 1.00 0.00 C ATOM 651 NE ARG A 46 -7.340 -12.279 -2.985 1.00 0.00 N ATOM 652 CZ ARG A 46 -8.655 -12.283 -3.177 1.00 0.00 C ATOM 653 NH1 ARG A 46 -9.312 -13.431 -3.262 1.00 0.00 N ATOM 654 NH2 ARG A 46 -9.315 -11.136 -3.284 1.00 0.00 N ATOM 0 H ARG A 46 -2.701 -13.682 0.246 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.254 -11.481 -1.657 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.093 -13.541 -0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.706 -11.966 -0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.711 -12.424 -3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.481 -14.078 -2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.588 -14.059 -3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.961 -14.125 -2.076 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.864 -11.379 -2.924 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.808 -14.314 -3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.321 -13.431 -3.409 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.813 -10.251 -3.219 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.324 -11.140 -3.431 1.00 0.00 H new ATOM 668 N TYR A 47 -4.072 -9.935 0.202 1.00 0.00 N ATOM 669 CA TYR A 47 -4.201 -8.969 1.287 1.00 0.00 C ATOM 670 C TYR A 47 -5.317 -7.970 0.997 1.00 0.00 C ATOM 671 O TYR A 47 -5.899 -7.967 -0.089 1.00 0.00 O ATOM 672 CB TYR A 47 -2.880 -8.227 1.496 1.00 0.00 C ATOM 673 CG TYR A 47 -1.842 -9.037 2.239 1.00 0.00 C ATOM 674 CD1 TYR A 47 -0.987 -9.898 1.562 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.715 -8.941 3.620 1.00 0.00 C ATOM 676 CE1 TYR A 47 -0.038 -10.640 2.237 1.00 0.00 C ATOM 677 CE2 TYR A 47 -0.768 -9.679 4.303 1.00 0.00 C ATOM 678 CZ TYR A 47 0.068 -10.527 3.607 1.00 0.00 C ATOM 679 OH TYR A 47 1.013 -11.264 4.284 1.00 0.00 O ATOM 0 H TYR A 47 -4.327 -9.574 -0.717 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.453 -9.514 2.197 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.477 -7.939 0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.073 -7.306 2.047 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.066 -9.989 0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.368 -8.278 4.168 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.618 -11.305 1.695 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.683 -9.593 5.376 1.00 0.00 H new ATOM 0 HH TYR A 47 0.956 -11.067 5.242 1.00 0.00 H new ATOM 689 N THR A 48 -5.612 -7.121 1.976 1.00 0.00 N ATOM 690 CA THR A 48 -6.658 -6.117 1.828 1.00 0.00 C ATOM 691 C THR A 48 -6.429 -4.941 2.771 1.00 0.00 C ATOM 692 O THR A 48 -5.783 -5.083 3.811 1.00 0.00 O ATOM 693 CB THR A 48 -8.052 -6.714 2.100 1.00 0.00 C ATOM 694 OG1 THR A 48 -9.067 -5.822 1.627 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.250 -6.974 3.585 1.00 0.00 C ATOM 0 H THR A 48 -5.141 -7.109 2.881 1.00 0.00 H new ATOM 0 HA THR A 48 -6.616 -5.766 0.797 1.00 0.00 H new ATOM 0 HB THR A 48 -8.126 -7.663 1.569 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.950 -6.209 1.802 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.241 -7.395 3.752 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.494 -7.676 3.935 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.157 -6.037 4.134 1.00 0.00 H new ATOM 703 N LEU A 49 -6.962 -3.782 2.404 1.00 0.00 N ATOM 704 CA LEU A 49 -6.817 -2.580 3.218 1.00 0.00 C ATOM 705 C LEU A 49 -8.020 -2.396 4.138 1.00 0.00 C ATOM 706 O LEU A 49 -9.139 -2.174 3.674 1.00 0.00 O ATOM 707 CB LEU A 49 -6.652 -1.351 2.323 1.00 0.00 C ATOM 708 CG LEU A 49 -5.321 -1.237 1.578 1.00 0.00 C ATOM 709 CD1 LEU A 49 -5.497 -0.448 0.289 1.00 0.00 C ATOM 710 CD2 LEU A 49 -4.268 -0.587 2.463 1.00 0.00 C ATOM 0 H LEU A 49 -7.499 -3.648 1.547 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.926 -2.695 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.458 -1.350 1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.779 -0.459 2.937 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.983 -2.241 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.540 -0.377 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.219 -0.954 -0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.859 0.554 0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.328 -0.514 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.599 0.411 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.121 -1.192 3.358 1.00 0.00 H new ATOM 722 N ILE A 50 -7.781 -2.488 5.441 1.00 0.00 N ATOM 723 CA ILE A 50 -8.845 -2.328 6.425 1.00 0.00 C ATOM 724 C ILE A 50 -8.670 -1.038 7.219 1.00 0.00 C ATOM 725 O ILE A 50 -7.625 -0.809 7.826 1.00 0.00 O ATOM 726 CB ILE A 50 -8.891 -3.517 7.403 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.071 -4.829 6.636 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.012 -3.330 8.413 1.00 0.00 C ATOM 729 CD1 ILE A 50 -8.817 -6.061 7.478 1.00 0.00 C ATOM 0 H ILE A 50 -6.861 -2.672 5.840 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.783 -2.287 5.871 1.00 0.00 H new ATOM 0 HB ILE A 50 -7.946 -3.560 7.944 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.085 -4.873 6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.394 -4.837 5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.031 -4.179 9.097 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -9.844 -2.413 8.978 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.966 -3.264 7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -8.963 -6.954 6.870 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.794 -6.041 7.853 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.511 -6.077 8.318 1.00 0.00 H new ATOM 741 N GLU A 51 -9.702 -0.201 7.212 1.00 0.00 N ATOM 742 CA GLU A 51 -9.663 1.066 7.933 1.00 0.00 C ATOM 743 C GLU A 51 -10.315 0.932 9.305 1.00 0.00 C ATOM 744 O GLU A 51 -11.531 0.772 9.415 1.00 0.00 O ATOM 745 CB GLU A 51 -10.366 2.160 7.126 1.00 0.00 C ATOM 746 CG GLU A 51 -9.589 2.608 5.900 1.00 0.00 C ATOM 747 CD GLU A 51 -8.450 3.550 6.244 1.00 0.00 C ATOM 748 OE1 GLU A 51 -7.746 3.290 7.241 1.00 0.00 O ATOM 749 OE2 GLU A 51 -8.265 4.546 5.514 1.00 0.00 O ATOM 0 H GLU A 51 -10.575 -0.377 6.715 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.618 1.343 8.073 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.344 1.796 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.538 3.022 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.190 1.733 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.267 3.103 5.205 1.00 0.00 H new ATOM 756 N LYS A 52 -9.498 0.997 10.351 1.00 0.00 N ATOM 757 CA LYS A 52 -9.993 0.884 11.718 1.00 0.00 C ATOM 758 C LYS A 52 -10.325 2.257 12.292 1.00 0.00 C ATOM 759 O LYS A 52 -9.480 3.152 12.312 1.00 0.00 O ATOM 760 CB LYS A 52 -8.956 0.187 12.602 1.00 0.00 C ATOM 761 CG LYS A 52 -9.441 -0.076 14.017 1.00 0.00 C ATOM 762 CD LYS A 52 -8.455 -0.933 14.794 1.00 0.00 C ATOM 763 CE LYS A 52 -8.582 -0.707 16.293 1.00 0.00 C ATOM 764 NZ LYS A 52 -7.919 0.555 16.722 1.00 0.00 N ATOM 0 H LYS A 52 -8.489 1.127 10.278 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.905 0.288 11.699 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.676 -0.760 12.141 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.056 0.800 12.644 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.587 0.872 14.535 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.410 -0.574 13.984 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.628 -1.985 14.567 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.439 -0.701 14.475 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.636 -0.675 16.567 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.140 -1.549 16.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.013 0.664 17.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.911 0.521 16.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.369 1.363 16.246 1.00 0.00 H new ATOM 778 N TRP A 53 -11.558 2.415 12.759 1.00 0.00 N ATOM 779 CA TRP A 53 -12.001 3.680 13.335 1.00 0.00 C ATOM 780 C TRP A 53 -13.101 3.454 14.366 1.00 0.00 C ATOM 781 O TRP A 53 -13.879 2.505 14.258 1.00 0.00 O ATOM 782 CB TRP A 53 -12.500 4.618 12.235 1.00 0.00 C ATOM 783 CG TRP A 53 -12.619 6.045 12.679 1.00 0.00 C ATOM 784 CD1 TRP A 53 -11.598 6.933 12.865 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.826 6.746 12.996 1.00 0.00 C ATOM 786 NE1 TRP A 53 -12.098 8.144 13.277 1.00 0.00 N ATOM 787 CE2 TRP A 53 -13.462 8.056 13.365 1.00 0.00 C ATOM 788 CE3 TRP A 53 -15.179 6.396 13.002 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -14.403 9.013 13.736 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -16.111 7.347 13.370 1.00 0.00 C ATOM 791 CH2 TRP A 53 -15.720 8.643 13.733 1.00 0.00 C ATOM 0 H TRP A 53 -12.269 1.684 12.750 1.00 0.00 H new ATOM 0 HA TRP A 53 -11.149 4.140 13.836 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -11.819 4.565 11.386 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -13.473 4.271 11.886 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -10.552 6.715 12.711 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -11.543 8.975 13.484 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -15.490 5.400 12.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.104 10.012 14.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -17.159 7.087 13.378 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -16.473 9.364 14.016 1.00 0.00 H new ATOM 802 N ARG A 54 -13.161 4.330 15.363 1.00 0.00 N ATOM 803 CA ARG A 54 -14.167 4.223 16.414 1.00 0.00 C ATOM 804 C ARG A 54 -14.453 2.762 16.747 1.00 0.00 C ATOM 805 O ARG A 54 -15.580 2.401 17.084 1.00 0.00 O ATOM 806 CB ARG A 54 -15.458 4.922 15.985 1.00 0.00 C ATOM 807 CG ARG A 54 -16.249 5.506 17.145 1.00 0.00 C ATOM 808 CD ARG A 54 -17.738 5.542 16.841 1.00 0.00 C ATOM 809 NE ARG A 54 -18.544 5.599 18.058 1.00 0.00 N ATOM 810 CZ ARG A 54 -18.709 4.567 18.878 1.00 0.00 C ATOM 811 NH1 ARG A 54 -18.128 3.405 18.613 1.00 0.00 N ATOM 812 NH2 ARG A 54 -19.457 4.696 19.967 1.00 0.00 N ATOM 0 H ARG A 54 -12.526 5.121 15.466 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.777 4.711 17.307 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.213 5.721 15.285 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -16.086 4.210 15.450 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -16.074 4.912 18.042 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.895 6.515 17.357 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -17.960 6.409 16.218 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -18.012 4.658 16.266 1.00 0.00 H new ATOM 0 HE ARG A 54 -19.005 6.479 18.291 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.552 3.302 17.777 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.257 2.615 19.245 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.906 5.588 20.175 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -19.583 3.903 20.596 1.00 0.00 H new ATOM 826 N ASP A 55 -13.425 1.926 16.649 1.00 0.00 N ATOM 827 CA ASP A 55 -13.565 0.504 16.941 1.00 0.00 C ATOM 828 C ASP A 55 -14.446 -0.179 15.900 1.00 0.00 C ATOM 829 O ASP A 55 -15.349 -0.944 16.240 1.00 0.00 O ATOM 830 CB ASP A 55 -14.155 0.304 18.337 1.00 0.00 C ATOM 831 CG ASP A 55 -13.565 1.258 19.358 1.00 0.00 C ATOM 832 OD1 ASP A 55 -12.436 1.741 19.134 1.00 0.00 O ATOM 833 OD2 ASP A 55 -14.232 1.520 20.381 1.00 0.00 O ATOM 0 H ASP A 55 -12.486 2.209 16.370 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.574 0.051 16.906 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -15.235 0.444 18.295 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.979 -0.722 18.659 1.00 0.00 H new ATOM 838 N THR A 56 -14.178 0.102 14.628 1.00 0.00 N ATOM 839 CA THR A 56 -14.947 -0.483 13.538 1.00 0.00 C ATOM 840 C THR A 56 -14.032 -0.975 12.422 1.00 0.00 C ATOM 841 O THR A 56 -13.035 -0.332 12.096 1.00 0.00 O ATOM 842 CB THR A 56 -15.953 0.527 12.954 1.00 0.00 C ATOM 843 OG1 THR A 56 -17.050 -0.167 12.350 1.00 0.00 O ATOM 844 CG2 THR A 56 -15.283 1.423 11.923 1.00 0.00 C ATOM 0 H THR A 56 -13.434 0.732 14.328 1.00 0.00 H new ATOM 0 HA THR A 56 -15.494 -1.328 13.955 1.00 0.00 H new ATOM 0 HB THR A 56 -16.323 1.150 13.768 1.00 0.00 H new ATOM 0 HG1 THR A 56 -17.686 0.482 11.983 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.013 2.128 11.524 1.00 0.00 H new ATOM 0 HG22 THR A 56 -14.467 1.972 12.393 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.888 0.812 11.111 1.00 0.00 H new ATOM 852 N GLU A 57 -14.379 -2.118 11.839 1.00 0.00 N ATOM 853 CA GLU A 57 -13.587 -2.695 10.759 1.00 0.00 C ATOM 854 C GLU A 57 -14.367 -2.684 9.447 1.00 0.00 C ATOM 855 O GLU A 57 -15.434 -3.288 9.342 1.00 0.00 O ATOM 856 CB GLU A 57 -13.174 -4.127 11.108 1.00 0.00 C ATOM 857 CG GLU A 57 -12.312 -4.225 12.355 1.00 0.00 C ATOM 858 CD GLU A 57 -13.091 -3.945 13.626 1.00 0.00 C ATOM 859 OE1 GLU A 57 -14.154 -4.572 13.819 1.00 0.00 O ATOM 860 OE2 GLU A 57 -12.638 -3.101 14.426 1.00 0.00 O ATOM 0 H GLU A 57 -15.202 -2.662 12.096 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.691 -2.087 10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.071 -4.731 11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.630 -4.555 10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.875 -5.222 12.413 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.485 -3.519 12.277 1.00 0.00 H new ATOM 867 N ARG A 58 -13.825 -1.993 8.450 1.00 0.00 N ATOM 868 CA ARG A 58 -14.470 -1.901 7.145 1.00 0.00 C ATOM 869 C ARG A 58 -13.468 -2.160 6.024 1.00 0.00 C ATOM 870 O ARG A 58 -12.476 -1.443 5.885 1.00 0.00 O ATOM 871 CB ARG A 58 -15.109 -0.523 6.964 1.00 0.00 C ATOM 872 CG ARG A 58 -16.136 -0.470 5.844 1.00 0.00 C ATOM 873 CD ARG A 58 -17.023 0.760 5.960 1.00 0.00 C ATOM 874 NE ARG A 58 -18.332 0.549 5.347 1.00 0.00 N ATOM 875 CZ ARG A 58 -19.241 1.508 5.209 1.00 0.00 C ATOM 876 NH1 ARG A 58 -18.985 2.736 5.639 1.00 0.00 N ATOM 877 NH2 ARG A 58 -20.410 1.239 4.641 1.00 0.00 N ATOM 0 H ARG A 58 -12.941 -1.489 8.520 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.248 -2.663 7.097 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.587 -0.228 7.898 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.326 0.208 6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.626 -0.463 4.881 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.752 -1.369 5.871 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.152 1.016 7.012 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.532 1.608 5.483 1.00 0.00 H new ATOM 0 HE ARG A 58 -18.560 -0.385 5.007 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.088 2.946 6.077 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -19.685 3.470 5.532 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -20.611 0.295 4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -21.107 1.976 4.535 1.00 0.00 H new ATOM 891 N HIS A 59 -13.733 -3.189 5.226 1.00 0.00 N ATOM 892 CA HIS A 59 -12.854 -3.543 4.117 1.00 0.00 C ATOM 893 C HIS A 59 -13.035 -2.575 2.951 1.00 0.00 C ATOM 894 O HIS A 59 -14.156 -2.190 2.618 1.00 0.00 O ATOM 895 CB HIS A 59 -13.132 -4.974 3.655 1.00 0.00 C ATOM 896 CG HIS A 59 -12.836 -6.008 4.697 1.00 0.00 C ATOM 897 ND1 HIS A 59 -11.947 -7.043 4.499 1.00 0.00 N ATOM 898 CD2 HIS A 59 -13.316 -6.162 5.953 1.00 0.00 C ATOM 899 CE1 HIS A 59 -11.894 -7.789 5.588 1.00 0.00 C ATOM 900 NE2 HIS A 59 -12.716 -7.276 6.486 1.00 0.00 N ATOM 0 H HIS A 59 -14.549 -3.792 5.326 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.824 -3.476 4.466 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.179 -5.055 3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.535 -5.183 2.768 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.037 -5.526 6.445 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.282 -8.669 5.722 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.878 -7.647 7.422 1.00 0.00 H new ATOM 909 N LEU A 60 -11.924 -2.186 2.335 1.00 0.00 N ATOM 910 CA LEU A 60 -11.959 -1.262 1.206 1.00 0.00 C ATOM 911 C LEU A 60 -11.922 -2.018 -0.118 1.00 0.00 C ATOM 912 O LEU A 60 -11.493 -3.170 -0.174 1.00 0.00 O ATOM 913 CB LEU A 60 -10.783 -0.287 1.283 1.00 0.00 C ATOM 914 CG LEU A 60 -10.862 0.776 2.379 1.00 0.00 C ATOM 915 CD1 LEU A 60 -9.507 1.434 2.584 1.00 0.00 C ATOM 916 CD2 LEU A 60 -11.917 1.818 2.036 1.00 0.00 C ATOM 0 H LEU A 60 -10.988 -2.496 2.598 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.892 -0.701 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.869 -0.863 1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.692 0.218 0.321 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.150 0.289 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.583 2.188 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.777 0.679 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.188 1.907 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.960 2.567 2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.659 2.300 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.889 1.334 1.942 1.00 0.00 H new ATOM 928 N ALA A 61 -12.374 -1.362 -1.181 1.00 0.00 N ATOM 929 CA ALA A 61 -12.388 -1.970 -2.505 1.00 0.00 C ATOM 930 C ALA A 61 -11.045 -1.794 -3.205 1.00 0.00 C ATOM 931 O ALA A 61 -10.318 -0.829 -2.971 1.00 0.00 O ATOM 932 CB ALA A 61 -13.507 -1.375 -3.348 1.00 0.00 C ATOM 0 H ALA A 61 -12.736 -0.409 -1.151 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.568 -3.038 -2.384 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.505 -1.839 -4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.465 -1.559 -2.862 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.353 -0.301 -3.452 1.00 0.00 H new ATOM 938 N PRO A 62 -10.706 -2.748 -4.085 1.00 0.00 N ATOM 939 CA PRO A 62 -9.448 -2.720 -4.837 1.00 0.00 C ATOM 940 C PRO A 62 -9.421 -1.610 -5.882 1.00 0.00 C ATOM 941 O PRO A 62 -8.378 -1.006 -6.135 1.00 0.00 O ATOM 942 CB PRO A 62 -9.408 -4.092 -5.514 1.00 0.00 C ATOM 943 CG PRO A 62 -10.836 -4.503 -5.621 1.00 0.00 C ATOM 944 CD PRO A 62 -11.524 -3.927 -4.414 1.00 0.00 C ATOM 0 HA PRO A 62 -8.592 -2.523 -4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.938 -4.036 -6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.833 -4.807 -4.926 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.283 -4.127 -6.541 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.929 -5.589 -5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.556 -3.652 -4.633 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.552 -4.639 -3.589 1.00 0.00 H new ATOM 952 N HIS A 63 -10.575 -1.345 -6.486 1.00 0.00 N ATOM 953 CA HIS A 63 -10.684 -0.305 -7.504 1.00 0.00 C ATOM 954 C HIS A 63 -10.645 1.082 -6.870 1.00 0.00 C ATOM 955 O HIS A 63 -10.344 2.071 -7.537 1.00 0.00 O ATOM 956 CB HIS A 63 -11.976 -0.478 -8.303 1.00 0.00 C ATOM 957 CG HIS A 63 -13.207 -0.513 -7.450 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.903 0.621 -7.087 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.867 -1.553 -6.890 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.937 0.279 -6.339 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.938 -1.035 -6.205 1.00 0.00 N ATOM 0 H HIS A 63 -11.447 -1.835 -6.289 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.833 -0.400 -8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -12.063 0.339 -9.019 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.917 -1.401 -8.879 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -13.601 -2.597 -6.968 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.659 0.958 -5.910 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.623 -1.577 -5.678 1.00 0.00 H new ATOM 970 N GLU A 64 -10.952 1.146 -5.578 1.00 0.00 N ATOM 971 CA GLU A 64 -10.953 2.412 -4.855 1.00 0.00 C ATOM 972 C GLU A 64 -9.531 2.931 -4.664 1.00 0.00 C ATOM 973 O GLU A 64 -8.569 2.324 -5.133 1.00 0.00 O ATOM 974 CB GLU A 64 -11.636 2.249 -3.496 1.00 0.00 C ATOM 975 CG GLU A 64 -13.149 2.143 -3.583 1.00 0.00 C ATOM 976 CD GLU A 64 -13.824 3.497 -3.680 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.787 4.102 -4.772 1.00 0.00 O ATOM 978 OE2 GLU A 64 -14.390 3.951 -2.664 1.00 0.00 O ATOM 0 H GLU A 64 -11.203 0.336 -5.011 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.509 3.138 -5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.245 1.356 -3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.376 3.098 -2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.418 1.544 -4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.524 1.616 -2.705 1.00 0.00 H new ATOM 985 N ASN A 65 -9.407 4.059 -3.971 1.00 0.00 N ATOM 986 CA ASN A 65 -8.103 4.660 -3.718 1.00 0.00 C ATOM 987 C ASN A 65 -7.890 4.890 -2.225 1.00 0.00 C ATOM 988 O ASN A 65 -8.816 5.222 -1.485 1.00 0.00 O ATOM 989 CB ASN A 65 -7.974 5.985 -4.473 1.00 0.00 C ATOM 990 CG ASN A 65 -7.595 5.787 -5.928 1.00 0.00 C ATOM 991 OD1 ASN A 65 -6.532 5.248 -6.236 1.00 0.00 O ATOM 992 ND2 ASN A 65 -8.465 6.225 -6.831 1.00 0.00 N ATOM 0 H ASN A 65 -10.193 4.574 -3.575 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.338 3.970 -4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.919 6.525 -4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.222 6.606 -3.986 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.264 6.120 -7.826 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.334 6.666 -6.530 1.00 0.00 H new ATOM 999 N PRO A 66 -6.641 4.711 -1.771 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.277 4.894 -0.363 1.00 0.00 C ATOM 1001 C PRO A 66 -6.326 6.357 0.063 1.00 0.00 C ATOM 1002 O PRO A 66 -6.762 6.677 1.169 1.00 0.00 O ATOM 1003 CB PRO A 66 -4.842 4.366 -0.296 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.314 4.525 -1.680 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.488 4.315 -2.597 1.00 0.00 C ATOM 0 HA PRO A 66 -6.967 4.380 0.306 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.246 4.929 0.422 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.818 3.323 0.019 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.881 5.515 -1.821 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.526 3.800 -1.883 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.410 4.926 -3.497 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.564 3.277 -2.922 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.878 7.242 -0.822 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.873 8.671 -0.537 1.00 0.00 C ATOM 1015 C ILE A 67 -7.293 9.217 -0.441 1.00 0.00 C ATOM 1016 O ILE A 67 -7.720 9.682 0.616 1.00 0.00 O ATOM 1017 CB ILE A 67 -5.104 9.457 -1.616 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.743 8.809 -1.877 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.933 10.908 -1.192 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.828 8.818 -0.672 1.00 0.00 C ATOM 0 H ILE A 67 -5.514 6.994 -1.742 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.371 8.800 0.422 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.680 9.434 -2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.896 7.779 -2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.253 9.331 -2.699 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.388 11.451 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.913 11.364 -1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.375 10.950 -0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.882 8.343 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.645 9.847 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.298 8.271 0.146 1.00 0.00 H new ATOM 1032 N ILE A 68 -8.020 9.157 -1.552 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.394 9.643 -1.592 1.00 0.00 C ATOM 1034 C ILE A 68 -10.238 8.997 -0.499 1.00 0.00 C ATOM 1035 O ILE A 68 -11.106 9.640 0.091 1.00 0.00 O ATOM 1036 CB ILE A 68 -10.048 9.369 -2.959 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -9.342 10.168 -4.056 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.529 9.713 -2.916 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -8.180 9.432 -4.687 1.00 0.00 C ATOM 0 H ILE A 68 -7.681 8.777 -2.436 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.353 10.720 -1.427 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.948 8.308 -3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.065 10.422 -4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.982 11.107 -3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.977 9.514 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.022 9.104 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.651 10.768 -2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.727 10.058 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.438 9.201 -3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.537 8.506 -5.137 1.00 0.00 H new ATOM 1051 N SER A 69 -9.976 7.721 -0.233 1.00 0.00 N ATOM 1052 CA SER A 69 -10.713 6.986 0.789 1.00 0.00 C ATOM 1053 C SER A 69 -10.592 7.673 2.146 1.00 0.00 C ATOM 1054 O SER A 69 -11.568 7.781 2.890 1.00 0.00 O ATOM 1055 CB SER A 69 -10.198 5.549 0.884 1.00 0.00 C ATOM 1056 OG SER A 69 -10.865 4.706 -0.039 1.00 0.00 O ATOM 0 H SER A 69 -9.259 7.175 -0.711 1.00 0.00 H new ATOM 0 HA SER A 69 -11.765 6.969 0.503 1.00 0.00 H new ATOM 0 HB2 SER A 69 -9.126 5.530 0.689 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.345 5.173 1.896 1.00 0.00 H new ATOM 0 HG SER A 69 -10.255 4.474 -0.770 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.388 8.137 2.461 1.00 0.00 N ATOM 1063 CA LEU A 70 -9.137 8.814 3.729 1.00 0.00 C ATOM 1064 C LEU A 70 -9.634 10.255 3.684 1.00 0.00 C ATOM 1065 O LEU A 70 -10.394 10.687 4.550 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.643 8.788 4.056 1.00 0.00 C ATOM 1067 CG LEU A 70 -7.149 7.574 4.843 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -5.643 7.645 5.045 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -7.864 7.479 6.183 1.00 0.00 C ATOM 0 H LEU A 70 -8.570 8.057 1.856 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.683 8.285 4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.086 8.841 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.400 9.687 4.623 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.376 6.676 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.310 6.773 5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.146 7.663 4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.392 8.550 5.598 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.499 6.609 6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.669 8.380 6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.937 7.380 6.017 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.202 10.994 2.667 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.605 12.386 2.509 1.00 0.00 C ATOM 1083 C ASN A 71 -11.039 12.595 2.986 1.00 0.00 C ATOM 1084 O ASN A 71 -11.347 13.588 3.646 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.476 12.813 1.045 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.080 12.585 0.497 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -7.912 12.158 -0.645 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.072 12.870 1.313 1.00 0.00 N ATOM 0 H ASN A 71 -8.573 10.652 1.940 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.944 13.001 3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.195 12.258 0.443 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.731 13.869 0.953 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.110 12.737 1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.260 13.222 2.252 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.913 11.653 2.649 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.314 11.731 3.044 1.00 0.00 C ATOM 1097 C LYS A 72 -13.453 12.330 4.440 1.00 0.00 C ATOM 1098 O LYS A 72 -14.063 13.386 4.614 1.00 0.00 O ATOM 1099 CB LYS A 72 -13.953 10.341 3.008 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.258 9.847 1.605 1.00 0.00 C ATOM 1101 CD LYS A 72 -14.414 8.336 1.566 1.00 0.00 C ATOM 1102 CE LYS A 72 -15.041 7.874 0.260 1.00 0.00 C ATOM 1103 NZ LYS A 72 -14.822 6.420 0.024 1.00 0.00 N ATOM 0 H LYS A 72 -11.675 10.825 2.102 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.830 12.380 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.286 9.631 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.877 10.360 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.173 10.317 1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.457 10.148 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -13.439 7.865 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.033 8.011 2.403 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.111 8.082 0.277 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.618 8.444 -0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.264 6.144 -0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.801 6.225 -0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.247 5.874 0.801 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.884 11.652 5.429 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.944 12.119 6.810 1.00 0.00 C ATOM 1119 C TRP A 73 -12.352 13.519 6.937 1.00 0.00 C ATOM 1120 O TRP A 73 -12.962 14.410 7.525 1.00 0.00 O ATOM 1121 CB TRP A 73 -12.198 11.152 7.730 1.00 0.00 C ATOM 1122 CG TRP A 73 -12.509 9.711 7.454 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.822 8.869 6.627 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.587 8.946 8.005 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.408 7.626 6.631 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.492 7.647 7.468 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -14.621 9.231 8.900 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -14.393 6.639 7.798 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -15.515 8.229 9.226 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -15.396 6.946 8.677 1.00 0.00 C ATOM 0 H TRP A 73 -12.376 10.777 5.301 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.992 12.159 7.109 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -11.125 11.312 7.621 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -12.451 11.379 8.766 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.947 9.140 6.054 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.087 6.818 6.097 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.720 10.217 9.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.304 5.649 7.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -16.319 8.439 9.916 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -16.110 6.184 8.953 1.00 0.00 H new ATOM 1141 N GLY A 74 -11.159 13.705 6.380 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.505 14.999 6.443 1.00 0.00 C ATOM 1143 C GLY A 74 -10.164 15.409 7.862 1.00 0.00 C ATOM 1144 O GLY A 74 -9.124 15.021 8.393 1.00 0.00 O ATOM 0 H GLY A 74 -10.634 12.983 5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.593 14.971 5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.154 15.752 5.997 1.00 0.00 H new ATOM 1148 N GLN A 75 -11.042 16.195 8.476 1.00 0.00 N ATOM 1149 CA GLN A 75 -10.826 16.659 9.842 1.00 0.00 C ATOM 1150 C GLN A 75 -10.376 15.513 10.742 1.00 0.00 C ATOM 1151 O GLN A 75 -9.391 15.632 11.470 1.00 0.00 O ATOM 1152 CB GLN A 75 -12.106 17.287 10.398 1.00 0.00 C ATOM 1153 CG GLN A 75 -13.355 16.465 10.124 1.00 0.00 C ATOM 1154 CD GLN A 75 -14.600 17.321 9.991 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -14.546 18.542 10.145 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -15.729 16.684 9.705 1.00 0.00 N ATOM 0 H GLN A 75 -11.909 16.524 8.050 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.038 17.412 9.823 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.998 17.420 11.474 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.232 18.279 9.965 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.214 15.891 9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.497 15.747 10.932 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.727 15.671 9.586 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.599 17.208 9.604 1.00 0.00 H new ATOM 1165 N TYR A 76 -11.104 14.403 10.686 1.00 0.00 N ATOM 1166 CA TYR A 76 -10.781 13.236 11.498 1.00 0.00 C ATOM 1167 C TYR A 76 -10.082 12.168 10.663 1.00 0.00 C ATOM 1168 O TYR A 76 -10.195 10.974 10.941 1.00 0.00 O ATOM 1169 CB TYR A 76 -12.051 12.658 12.126 1.00 0.00 C ATOM 1170 CG TYR A 76 -12.378 13.247 13.480 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -12.747 14.580 13.609 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -12.320 12.469 14.630 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -13.047 15.122 14.844 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -12.620 13.002 15.869 1.00 0.00 C ATOM 1175 CZ TYR A 76 -12.982 14.329 15.971 1.00 0.00 C ATOM 1176 OH TYR A 76 -13.280 14.865 17.203 1.00 0.00 O ATOM 0 H TYR A 76 -11.921 14.287 10.087 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.103 13.553 12.291 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.890 12.830 11.452 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.938 11.578 12.226 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.800 15.203 12.729 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.036 11.430 14.554 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.331 16.161 14.927 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.571 12.383 16.753 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.187 14.174 17.892 1.00 0.00 H new ATOM 1186 N ALA A 77 -9.358 12.607 9.639 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.638 11.690 8.764 1.00 0.00 C ATOM 1188 C ALA A 77 -7.398 11.132 9.454 1.00 0.00 C ATOM 1189 O ALA A 77 -6.814 10.148 9.001 1.00 0.00 O ATOM 1190 CB ALA A 77 -8.253 12.389 7.468 1.00 0.00 C ATOM 0 H ALA A 77 -9.254 13.592 9.395 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.299 10.855 8.531 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.716 11.692 6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.153 12.733 6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.614 13.243 7.691 1.00 0.00 H new ATOM 1196 N SER A 78 -7.002 11.768 10.552 1.00 0.00 N ATOM 1197 CA SER A 78 -5.828 11.337 11.303 1.00 0.00 C ATOM 1198 C SER A 78 -6.176 10.189 12.245 1.00 0.00 C ATOM 1199 O SER A 78 -5.307 9.415 12.646 1.00 0.00 O ATOM 1200 CB SER A 78 -5.249 12.508 12.100 1.00 0.00 C ATOM 1201 OG SER A 78 -6.188 12.999 13.039 1.00 0.00 O ATOM 0 H SER A 78 -7.476 12.583 10.941 1.00 0.00 H new ATOM 0 HA SER A 78 -5.081 10.985 10.591 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.345 12.188 12.618 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.959 13.308 11.419 1.00 0.00 H new ATOM 0 HG SER A 78 -5.793 13.745 13.537 1.00 0.00 H new ATOM 1207 N ASP A 79 -7.454 10.085 12.593 1.00 0.00 N ATOM 1208 CA ASP A 79 -7.920 9.031 13.487 1.00 0.00 C ATOM 1209 C ASP A 79 -7.951 7.685 12.770 1.00 0.00 C ATOM 1210 O ASP A 79 -7.734 6.639 13.381 1.00 0.00 O ATOM 1211 CB ASP A 79 -9.311 9.368 14.026 1.00 0.00 C ATOM 1212 CG ASP A 79 -9.255 10.239 15.266 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -8.436 11.180 15.293 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -10.031 9.979 16.209 1.00 0.00 O ATOM 0 H ASP A 79 -8.186 10.718 12.270 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.223 8.962 14.322 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.884 9.879 13.252 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.841 8.444 14.258 1.00 0.00 H new ATOM 1219 N VAL A 80 -8.224 7.719 11.469 1.00 0.00 N ATOM 1220 CA VAL A 80 -8.284 6.502 10.668 1.00 0.00 C ATOM 1221 C VAL A 80 -6.895 5.907 10.468 1.00 0.00 C ATOM 1222 O VAL A 80 -5.968 6.599 10.048 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.920 6.767 9.291 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.901 5.506 8.442 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -10.340 7.290 9.452 1.00 0.00 C ATOM 0 H VAL A 80 -8.407 8.576 10.948 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.905 5.793 11.216 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.332 7.529 8.779 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.355 5.713 7.473 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.871 5.180 8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.464 4.720 8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.774 7.472 8.469 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.941 6.552 9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.323 8.221 10.019 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.759 4.620 10.771 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.482 3.932 10.624 1.00 0.00 C ATOM 1237 C GLN A 81 -5.597 2.776 9.636 1.00 0.00 C ATOM 1238 O GLN A 81 -6.612 2.079 9.595 1.00 0.00 O ATOM 1239 CB GLN A 81 -4.999 3.413 11.979 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.453 4.503 12.888 1.00 0.00 C ATOM 1241 CD GLN A 81 -4.142 3.997 14.283 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -5.018 3.483 14.979 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -2.890 4.142 14.700 1.00 0.00 N ATOM 0 H GLN A 81 -7.517 4.033 11.120 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.756 4.647 10.237 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.826 2.912 12.482 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.224 2.664 11.817 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.548 4.920 12.446 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.178 5.314 12.953 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.196 4.574 14.090 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.622 3.822 15.631 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.551 2.578 8.840 1.00 0.00 N ATOM 1253 CA LEU A 82 -4.535 1.506 7.851 1.00 0.00 C ATOM 1254 C LEU A 82 -4.007 0.211 8.460 1.00 0.00 C ATOM 1255 O LEU A 82 -3.091 0.229 9.283 1.00 0.00 O ATOM 1256 CB LEU A 82 -3.675 1.906 6.651 1.00 0.00 C ATOM 1257 CG LEU A 82 -4.370 2.745 5.578 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -5.592 2.017 5.039 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -4.761 4.106 6.135 1.00 0.00 C ATOM 0 H LEU A 82 -3.704 3.146 8.861 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.559 1.338 7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.812 2.463 7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.294 0.998 6.184 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.671 2.898 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.073 2.629 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.286 1.067 4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.294 1.832 5.852 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.254 4.689 5.357 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.442 3.973 6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.867 4.632 6.471 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.589 -0.911 8.049 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.174 -2.215 8.552 1.00 0.00 C ATOM 1273 C ILE A 83 -4.205 -3.265 7.447 1.00 0.00 C ATOM 1274 O ILE A 83 -5.271 -3.619 6.941 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.071 -2.681 9.713 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -4.984 -1.697 10.881 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.673 -4.080 10.161 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -5.993 -0.573 10.802 1.00 0.00 C ATOM 0 H ILE A 83 -5.349 -0.943 7.369 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.152 -2.103 8.915 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.104 -2.712 9.365 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -5.130 -2.240 11.815 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.981 -1.272 10.913 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.316 -4.396 10.982 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.782 -4.774 9.327 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.635 -4.074 10.494 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.873 0.085 11.663 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.834 -0.005 9.886 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.001 -0.988 10.801 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.029 -3.761 7.077 1.00 0.00 N ATOM 1291 CA LEU A 84 -2.921 -4.774 6.033 1.00 0.00 C ATOM 1292 C LEU A 84 -3.119 -6.173 6.608 1.00 0.00 C ATOM 1293 O LEU A 84 -2.204 -6.746 7.201 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.558 -4.681 5.345 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.459 -5.323 3.960 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -2.069 -4.413 2.906 1.00 0.00 C ATOM 1297 CD2 LEU A 84 -0.010 -5.639 3.621 1.00 0.00 C ATOM 0 H LEU A 84 -2.138 -3.478 7.484 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.705 -4.589 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.290 -3.628 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.814 -5.145 5.993 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.020 -6.258 3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.990 -4.886 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.119 -4.238 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.536 -3.462 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.041 -6.095 2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.574 -4.719 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.394 -6.330 4.361 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.317 -6.718 6.426 1.00 0.00 N ATOM 1310 CA ARG A 85 -4.635 -8.050 6.926 1.00 0.00 C ATOM 1311 C ARG A 85 -4.799 -9.038 5.775 1.00 0.00 C ATOM 1312 O ARG A 85 -5.093 -8.646 4.645 1.00 0.00 O ATOM 1313 CB ARG A 85 -5.913 -8.012 7.766 1.00 0.00 C ATOM 1314 CG ARG A 85 -6.052 -9.189 8.717 1.00 0.00 C ATOM 1315 CD ARG A 85 -7.102 -8.922 9.784 1.00 0.00 C ATOM 1316 NE ARG A 85 -7.728 -10.154 10.256 1.00 0.00 N ATOM 1317 CZ ARG A 85 -8.725 -10.182 11.133 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -9.206 -9.052 11.631 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -9.243 -11.343 11.514 1.00 0.00 N ATOM 0 H ARG A 85 -5.084 -6.258 5.936 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.807 -8.382 7.552 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.932 -7.087 8.342 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.775 -7.991 7.100 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.322 -10.083 8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.092 -9.390 9.192 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.641 -8.404 10.625 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.867 -8.258 9.382 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.381 -11.041 9.892 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.810 -8.158 11.341 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -9.972 -9.077 12.304 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.875 -12.215 11.133 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.009 -11.363 12.188 1.00 0.00 H new ATOM 1333 N ARG A 86 -4.606 -10.319 6.069 1.00 0.00 N ATOM 1334 CA ARG A 86 -4.732 -11.362 5.059 1.00 0.00 C ATOM 1335 C ARG A 86 -6.157 -11.906 5.012 1.00 0.00 C ATOM 1336 O ARG A 86 -6.730 -12.265 6.041 1.00 0.00 O ATOM 1337 CB ARG A 86 -3.750 -12.500 5.345 1.00 0.00 C ATOM 1338 CG ARG A 86 -2.291 -12.092 5.218 1.00 0.00 C ATOM 1339 CD ARG A 86 -1.368 -13.299 5.277 1.00 0.00 C ATOM 1340 NE ARG A 86 -1.000 -13.640 6.649 1.00 0.00 N ATOM 1341 CZ ARG A 86 -1.754 -14.387 7.447 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -2.911 -14.869 7.013 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -1.352 -14.655 8.683 1.00 0.00 N ATOM 0 H ARG A 86 -4.362 -10.660 6.999 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.497 -10.923 4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.927 -12.877 6.353 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.950 -13.322 4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.141 -11.563 4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.035 -11.398 6.018 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.858 -14.153 4.810 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.466 -13.094 4.700 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.116 -13.285 7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.224 -14.666 6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.488 -15.442 7.629 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.463 -14.287 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.932 -15.229 9.295 1.00 0.00 H new ATOM 1357 N THR A 87 -6.724 -11.963 3.811 1.00 0.00 N ATOM 1358 CA THR A 87 -8.082 -12.460 3.630 1.00 0.00 C ATOM 1359 C THR A 87 -8.169 -13.395 2.429 1.00 0.00 C ATOM 1360 O THR A 87 -7.861 -13.006 1.303 1.00 0.00 O ATOM 1361 CB THR A 87 -9.083 -11.305 3.440 1.00 0.00 C ATOM 1362 OG1 THR A 87 -10.331 -11.813 2.956 1.00 0.00 O ATOM 1363 CG2 THR A 87 -8.538 -10.271 2.466 1.00 0.00 C ATOM 0 H THR A 87 -6.263 -11.671 2.949 1.00 0.00 H new ATOM 0 HA THR A 87 -8.341 -13.009 4.535 1.00 0.00 H new ATOM 0 HB THR A 87 -9.237 -10.825 4.406 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.962 -11.073 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.262 -9.465 2.348 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.603 -9.865 2.852 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.358 -10.741 1.499 1.00 0.00 H new ATOM 1371 N GLY A 88 -8.592 -14.631 2.676 1.00 0.00 N ATOM 1372 CA GLY A 88 -8.713 -15.602 1.604 1.00 0.00 C ATOM 1373 C GLY A 88 -7.644 -16.675 1.671 1.00 0.00 C ATOM 1374 O GLY A 88 -6.770 -16.658 2.538 1.00 0.00 O ATOM 0 H GLY A 88 -8.853 -14.977 3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.696 -16.070 1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.649 -15.089 0.644 1.00 0.00 H new ATOM 1378 N PRO A 89 -7.706 -17.636 0.738 1.00 0.00 N ATOM 1379 CA PRO A 89 -6.744 -18.740 0.673 1.00 0.00 C ATOM 1380 C PRO A 89 -5.357 -18.276 0.242 1.00 0.00 C ATOM 1381 O PRO A 89 -5.223 -17.338 -0.543 1.00 0.00 O ATOM 1382 CB PRO A 89 -7.346 -19.675 -0.379 1.00 0.00 C ATOM 1383 CG PRO A 89 -8.184 -18.790 -1.236 1.00 0.00 C ATOM 1384 CD PRO A 89 -8.721 -17.720 -0.327 1.00 0.00 C ATOM 0 HA PRO A 89 -6.597 -19.209 1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.568 -20.169 -0.961 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.944 -20.460 0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.594 -18.356 -2.043 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.995 -19.351 -1.700 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.836 -16.770 -0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -9.700 -17.985 0.071 1.00 0.00 H new ATOM 1392 N SER A 90 -4.328 -18.939 0.760 1.00 0.00 N ATOM 1393 CA SER A 90 -2.951 -18.591 0.431 1.00 0.00 C ATOM 1394 C SER A 90 -2.190 -19.811 -0.080 1.00 0.00 C ATOM 1395 O SER A 90 -2.663 -20.942 0.028 1.00 0.00 O ATOM 1396 CB SER A 90 -2.242 -18.011 1.656 1.00 0.00 C ATOM 1397 OG SER A 90 -2.120 -18.981 2.682 1.00 0.00 O ATOM 0 H SER A 90 -4.422 -19.720 1.409 1.00 0.00 H new ATOM 0 HA SER A 90 -2.971 -17.839 -0.358 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.253 -17.652 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.798 -17.151 2.029 1.00 0.00 H new ATOM 0 HG SER A 90 -1.662 -18.586 3.453 1.00 0.00 H new ATOM 1403 N GLY A 91 -1.007 -19.572 -0.639 1.00 0.00 N ATOM 1404 CA GLY A 91 -0.199 -20.659 -1.159 1.00 0.00 C ATOM 1405 C GLY A 91 1.124 -20.180 -1.723 1.00 0.00 C ATOM 1406 O GLY A 91 1.271 -19.972 -2.927 1.00 0.00 O ATOM 0 H GLY A 91 -0.594 -18.645 -0.741 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.011 -21.381 -0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.755 -21.180 -1.938 1.00 0.00 H new ATOM 1410 N PRO A 92 2.116 -19.996 -0.839 1.00 0.00 N ATOM 1411 CA PRO A 92 3.451 -19.535 -1.232 1.00 0.00 C ATOM 1412 C PRO A 92 4.219 -20.589 -2.022 1.00 0.00 C ATOM 1413 O PRO A 92 4.122 -21.783 -1.739 1.00 0.00 O ATOM 1414 CB PRO A 92 4.140 -19.263 0.107 1.00 0.00 C ATOM 1415 CG PRO A 92 3.437 -20.143 1.081 1.00 0.00 C ATOM 1416 CD PRO A 92 2.011 -20.224 0.612 1.00 0.00 C ATOM 0 HA PRO A 92 3.406 -18.666 -1.888 1.00 0.00 H new ATOM 0 HB2 PRO A 92 5.204 -19.496 0.059 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.056 -18.214 0.389 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.894 -21.132 1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.493 -19.732 2.089 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.569 -21.195 0.835 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.386 -19.471 1.093 1.00 0.00 H new ATOM 1424 N SER A 93 4.981 -20.139 -3.014 1.00 0.00 N ATOM 1425 CA SER A 93 5.763 -21.044 -3.848 1.00 0.00 C ATOM 1426 C SER A 93 7.221 -20.599 -3.913 1.00 0.00 C ATOM 1427 O SER A 93 7.532 -19.424 -3.721 1.00 0.00 O ATOM 1428 CB SER A 93 5.174 -21.110 -5.258 1.00 0.00 C ATOM 1429 OG SER A 93 6.039 -21.804 -6.140 1.00 0.00 O ATOM 0 H SER A 93 5.073 -19.153 -3.260 1.00 0.00 H new ATOM 0 HA SER A 93 5.724 -22.037 -3.400 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.205 -21.608 -5.228 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.002 -20.100 -5.631 1.00 0.00 H new ATOM 0 HG SER A 93 5.639 -21.834 -7.034 1.00 0.00 H new ATOM 1435 N SER A 94 8.111 -21.548 -4.187 1.00 0.00 N ATOM 1436 CA SER A 94 9.537 -21.256 -4.275 1.00 0.00 C ATOM 1437 C SER A 94 9.816 -20.234 -5.373 1.00 0.00 C ATOM 1438 O SER A 94 9.193 -20.260 -6.434 1.00 0.00 O ATOM 1439 CB SER A 94 10.326 -22.538 -4.544 1.00 0.00 C ATOM 1440 OG SER A 94 10.628 -23.214 -3.335 1.00 0.00 O ATOM 0 H SER A 94 7.870 -22.525 -4.352 1.00 0.00 H new ATOM 0 HA SER A 94 9.856 -20.835 -3.321 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.749 -23.193 -5.197 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.250 -22.297 -5.070 1.00 0.00 H new ATOM 0 HG SER A 94 11.131 -24.031 -3.534 1.00 0.00 H new ATOM 1446 N GLY A 95 10.758 -19.333 -5.110 1.00 0.00 N ATOM 1447 CA GLY A 95 11.103 -18.315 -6.084 1.00 0.00 C ATOM 1448 C GLY A 95 12.601 -18.122 -6.215 1.00 0.00 C ATOM 1449 O GLY A 95 13.310 -18.019 -5.215 1.00 0.00 O ATOM 0 H GLY A 95 11.288 -19.290 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.689 -18.590 -7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.642 -17.370 -5.796 1.00 0.00 H new TER 1453 GLY A 95