USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 912 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 39:sc= 1.08 USER MOD Set 2.2: A 24 LYS NZ :NH3+ -178:sc= -1.66 (180deg=-1.7) USER MOD Set 2.3: A 33 THR OG1 : rot -140:sc= 0.897 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00915 USER MOD Single : A 3 SER OG : rot 37:sc= 0.571 USER MOD Single : A 4 THR OG1 : rot 33:sc= 0.217 USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= -0.0454 (180deg=-0.279) USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= -0.0144 (180deg=-0.491) USER MOD Single : A 8 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.49) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= -0.0944 (180deg=-0.278) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.122) USER MOD Single : A 30 GLN : amide:sc= -0.785 K(o=-0.78,f=-4.7!) USER MOD Single : A 32 MET CE :methyl 170:sc= 0 (180deg=-0.0754) USER MOD Single : A 41 THR OG1 : rot -170:sc= -0.0219 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.0227 (180deg=-0.191) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 70:sc= -1.05 USER MOD Single : A 62 THR OG1 : rot 15:sc= 0.361 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= -0.693 (180deg=-0.859) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.9!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -110:sc= -1.95 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.16) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.165 11.624 -22.039 1.00 0.00 N ATOM 2 CA ALA A 1 -0.820 12.296 -21.151 1.00 0.00 C ATOM 3 C ALA A 1 -0.815 11.674 -19.759 1.00 0.00 C ATOM 4 O ALA A 1 -0.514 12.345 -18.772 1.00 0.00 O ATOM 5 CB ALA A 1 -2.213 12.219 -21.758 1.00 0.00 C ATOM 0 H1 ALA A 1 0.142 12.066 -22.980 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.119 11.720 -21.635 1.00 0.00 H new ATOM 0 H3 ALA A 1 -0.075 10.616 -22.124 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.533 13.343 -21.055 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.925 12.715 -21.098 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.214 12.713 -22.730 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.499 11.174 -21.881 1.00 0.00 H new ATOM 13 N THR A 2 -1.150 10.391 -19.689 1.00 0.00 N ATOM 14 CA THR A 2 -1.182 9.679 -18.415 1.00 0.00 C ATOM 15 C THR A 2 0.197 9.131 -18.063 1.00 0.00 C ATOM 16 O THR A 2 0.671 8.175 -18.675 1.00 0.00 O ATOM 17 CB THR A 2 -2.199 8.540 -18.470 1.00 0.00 C ATOM 18 OG1 THR A 2 -3.173 8.783 -19.471 1.00 0.00 O ATOM 19 CG2 THR A 2 -2.930 8.328 -17.161 1.00 0.00 C ATOM 0 H THR A 2 -1.403 9.822 -20.497 1.00 0.00 H new ATOM 0 HA THR A 2 -1.480 10.385 -17.640 1.00 0.00 H new ATOM 0 HB THR A 2 -1.618 7.645 -18.694 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.813 8.042 -19.491 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.637 7.505 -17.268 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.211 8.089 -16.377 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.469 9.237 -16.894 1.00 0.00 H new ATOM 27 N SER A 3 0.834 9.744 -17.071 1.00 0.00 N ATOM 28 CA SER A 3 2.158 9.317 -16.635 1.00 0.00 C ATOM 29 C SER A 3 2.086 8.608 -15.287 1.00 0.00 C ATOM 30 O SER A 3 1.821 9.233 -14.259 1.00 0.00 O ATOM 31 CB SER A 3 3.099 10.519 -16.542 1.00 0.00 C ATOM 32 OG SER A 3 2.577 11.509 -15.672 1.00 0.00 O ATOM 0 H SER A 3 0.455 10.538 -16.554 1.00 0.00 H new ATOM 0 HA SER A 3 2.547 8.615 -17.373 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.076 10.194 -16.183 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.249 10.945 -17.534 1.00 0.00 H new ATOM 0 HG SER A 3 2.132 11.076 -14.914 1.00 0.00 H new ATOM 38 N THR A 4 2.322 7.301 -15.298 1.00 0.00 N ATOM 39 CA THR A 4 2.282 6.507 -14.076 1.00 0.00 C ATOM 40 C THR A 4 3.545 6.722 -13.248 1.00 0.00 C ATOM 41 O THR A 4 4.659 6.521 -13.732 1.00 0.00 O ATOM 42 CB THR A 4 2.125 5.023 -14.410 1.00 0.00 C ATOM 43 OG1 THR A 4 3.134 4.604 -15.312 1.00 0.00 O ATOM 44 CG2 THR A 4 0.787 4.688 -15.033 1.00 0.00 C ATOM 0 H THR A 4 2.543 6.769 -16.140 1.00 0.00 H new ATOM 0 HA THR A 4 1.423 6.832 -13.489 1.00 0.00 H new ATOM 0 HB THR A 4 2.205 4.502 -13.456 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.959 5.102 -15.134 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.742 3.620 -15.245 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.013 4.955 -14.343 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.667 5.247 -15.961 1.00 0.00 H new ATOM 52 N LYS A 5 3.363 7.133 -11.997 1.00 0.00 N ATOM 53 CA LYS A 5 4.488 7.375 -11.101 1.00 0.00 C ATOM 54 C LYS A 5 4.896 6.094 -10.381 1.00 0.00 C ATOM 55 O LYS A 5 4.184 5.612 -9.499 1.00 0.00 O ATOM 56 CB LYS A 5 4.128 8.456 -10.080 1.00 0.00 C ATOM 57 CG LYS A 5 5.273 8.814 -9.144 1.00 0.00 C ATOM 58 CD LYS A 5 5.894 10.153 -9.509 1.00 0.00 C ATOM 59 CE LYS A 5 7.082 9.978 -10.440 1.00 0.00 C ATOM 60 NZ LYS A 5 8.244 9.356 -9.749 1.00 0.00 N ATOM 0 H LYS A 5 2.448 7.305 -11.581 1.00 0.00 H new ATOM 0 HA LYS A 5 5.332 7.717 -11.700 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.809 9.353 -10.610 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.278 8.116 -9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.908 8.849 -8.118 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.035 8.035 -9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.145 10.785 -9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.213 10.667 -8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.790 9.358 -11.288 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.375 10.949 -10.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.116 9.570 -10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.319 9.737 -8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.111 8.325 -9.705 1.00 0.00 H new ATOM 74 N LYS A 6 6.047 5.549 -10.759 1.00 0.00 N ATOM 75 CA LYS A 6 6.549 4.324 -10.147 1.00 0.00 C ATOM 76 C LYS A 6 7.684 4.630 -9.173 1.00 0.00 C ATOM 77 O LYS A 6 8.823 4.851 -9.582 1.00 0.00 O ATOM 78 CB LYS A 6 7.033 3.352 -11.226 1.00 0.00 C ATOM 79 CG LYS A 6 7.317 1.952 -10.701 1.00 0.00 C ATOM 80 CD LYS A 6 6.338 0.934 -11.265 1.00 0.00 C ATOM 81 CE LYS A 6 6.655 0.597 -12.714 1.00 0.00 C ATOM 82 NZ LYS A 6 5.701 1.243 -13.657 1.00 0.00 N ATOM 0 H LYS A 6 6.650 5.936 -11.486 1.00 0.00 H new ATOM 0 HA LYS A 6 5.733 3.862 -9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.280 3.291 -12.012 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.939 3.751 -11.683 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.335 1.664 -10.964 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.257 1.952 -9.613 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.370 0.025 -10.664 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.323 1.326 -11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.670 0.919 -12.948 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.624 -0.484 -12.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.673 0.704 -14.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.752 1.261 -13.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.011 2.216 -13.852 1.00 0.00 H new ATOM 96 N LEU A 7 7.363 4.642 -7.884 1.00 0.00 N ATOM 97 CA LEU A 7 8.353 4.923 -6.852 1.00 0.00 C ATOM 98 C LEU A 7 8.916 3.629 -6.270 1.00 0.00 C ATOM 99 O LEU A 7 8.212 2.625 -6.167 1.00 0.00 O ATOM 100 CB LEU A 7 7.733 5.772 -5.742 1.00 0.00 C ATOM 101 CG LEU A 7 8.714 6.662 -4.977 1.00 0.00 C ATOM 102 CD1 LEU A 7 9.638 5.820 -4.112 1.00 0.00 C ATOM 103 CD2 LEU A 7 9.517 7.523 -5.942 1.00 0.00 C ATOM 0 H LEU A 7 6.424 4.460 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 7 9.172 5.478 -7.309 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.959 6.403 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 7 7.240 5.108 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 7 8.143 7.321 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.328 6.471 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.046 5.250 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.203 5.134 -4.743 1.00 0.00 H new ATOM 0 HD21 LEU A 7 10.210 8.150 -5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.078 6.881 -6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.839 8.155 -6.516 1.00 0.00 H new ATOM 115 N HIS A 8 10.189 3.661 -5.891 1.00 0.00 N ATOM 116 CA HIS A 8 10.852 2.493 -5.321 1.00 0.00 C ATOM 117 C HIS A 8 11.226 2.737 -3.862 1.00 0.00 C ATOM 118 O HIS A 8 12.119 3.531 -3.563 1.00 0.00 O ATOM 119 CB HIS A 8 12.100 2.141 -6.131 1.00 0.00 C ATOM 120 CG HIS A 8 11.857 1.109 -7.186 1.00 0.00 C ATOM 121 ND1 HIS A 8 10.992 0.047 -7.017 1.00 0.00 N ATOM 122 CD2 HIS A 8 12.371 0.976 -8.433 1.00 0.00 C ATOM 123 CE1 HIS A 8 10.986 -0.692 -8.113 1.00 0.00 C ATOM 124 NE2 HIS A 8 11.813 -0.149 -8.986 1.00 0.00 N ATOM 0 H HIS A 8 10.784 4.486 -5.968 1.00 0.00 H new ATOM 0 HA HIS A 8 10.156 1.655 -5.362 1.00 0.00 H new ATOM 0 HB2 HIS A 8 12.485 3.046 -6.601 1.00 0.00 H new ATOM 0 HB3 HIS A 8 12.873 1.780 -5.453 1.00 0.00 H new ATOM 0 HD2 HIS A 8 13.087 1.633 -8.904 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.403 -1.588 -8.268 1.00 0.00 H new ATOM 0 HE2 HIS A 8 12.006 -0.508 -9.921 1.00 0.00 H new ATOM 133 N LYS A 9 10.534 2.054 -2.958 1.00 0.00 N ATOM 134 CA LYS A 9 10.786 2.194 -1.528 1.00 0.00 C ATOM 135 C LYS A 9 11.146 0.851 -0.898 1.00 0.00 C ATOM 136 O LYS A 9 10.837 -0.206 -1.447 1.00 0.00 O ATOM 137 CB LYS A 9 9.566 2.788 -0.826 1.00 0.00 C ATOM 138 CG LYS A 9 9.366 4.268 -1.105 1.00 0.00 C ATOM 139 CD LYS A 9 10.018 5.128 -0.035 1.00 0.00 C ATOM 140 CE LYS A 9 11.422 5.552 -0.438 1.00 0.00 C ATOM 141 NZ LYS A 9 11.663 6.997 -0.178 1.00 0.00 N ATOM 0 H LYS A 9 9.791 1.395 -3.191 1.00 0.00 H new ATOM 0 HA LYS A 9 11.632 2.869 -1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.675 2.244 -1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.668 2.640 0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.787 4.516 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.300 4.490 -1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.407 6.013 0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.059 4.574 0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.152 4.958 0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.574 5.344 -1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.631 7.245 -0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.983 7.566 -0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.544 7.192 0.837 1.00 0.00 H new ATOM 155 N GLU A 10 11.801 0.903 0.258 1.00 0.00 N ATOM 156 CA GLU A 10 12.206 -0.306 0.965 1.00 0.00 C ATOM 157 C GLU A 10 11.291 -0.562 2.161 1.00 0.00 C ATOM 158 O GLU A 10 10.547 0.324 2.583 1.00 0.00 O ATOM 159 CB GLU A 10 13.657 -0.186 1.434 1.00 0.00 C ATOM 160 CG GLU A 10 14.666 -0.735 0.440 1.00 0.00 C ATOM 161 CD GLU A 10 14.835 0.158 -0.773 1.00 0.00 C ATOM 162 OE1 GLU A 10 14.817 1.397 -0.608 1.00 0.00 O ATOM 163 OE2 GLU A 10 14.987 -0.379 -1.891 1.00 0.00 O ATOM 0 H GLU A 10 12.063 1.771 0.725 1.00 0.00 H new ATOM 0 HA GLU A 10 12.124 -1.148 0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.882 0.863 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.769 -0.714 2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 10 15.630 -0.855 0.935 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.349 -1.726 0.116 1.00 0.00 H new ATOM 170 N PRO A 11 11.323 -1.786 2.715 1.00 0.00 N ATOM 171 CA PRO A 11 10.483 -2.158 3.858 1.00 0.00 C ATOM 172 C PRO A 11 11.025 -1.633 5.181 1.00 0.00 C ATOM 173 O PRO A 11 12.235 -1.470 5.348 1.00 0.00 O ATOM 174 CB PRO A 11 10.530 -3.683 3.827 1.00 0.00 C ATOM 175 CG PRO A 11 11.875 -3.997 3.267 1.00 0.00 C ATOM 176 CD PRO A 11 12.172 -2.908 2.268 1.00 0.00 C ATOM 0 HA PRO A 11 9.479 -1.739 3.786 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.405 -4.105 4.824 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.734 -4.093 3.205 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.629 -4.022 4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.880 -4.977 2.790 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.228 -2.638 2.271 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.925 -3.217 1.252 1.00 0.00 H new ATOM 184 N ALA A 12 10.121 -1.365 6.117 1.00 0.00 N ATOM 185 CA ALA A 12 10.506 -0.854 7.428 1.00 0.00 C ATOM 186 C ALA A 12 10.033 -1.784 8.544 1.00 0.00 C ATOM 187 O ALA A 12 10.804 -2.601 9.046 1.00 0.00 O ATOM 188 CB ALA A 12 9.957 0.554 7.624 1.00 0.00 C ATOM 0 H ALA A 12 9.117 -1.493 5.993 1.00 0.00 H new ATOM 0 HA ALA A 12 11.594 -0.813 7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.250 0.926 8.606 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.358 1.211 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.869 0.533 7.554 1.00 0.00 H new ATOM 194 N THR A 13 8.763 -1.654 8.931 1.00 0.00 N ATOM 195 CA THR A 13 8.192 -2.487 9.991 1.00 0.00 C ATOM 196 C THR A 13 6.800 -1.996 10.383 1.00 0.00 C ATOM 197 O THR A 13 6.598 -0.806 10.626 1.00 0.00 O ATOM 198 CB THR A 13 9.102 -2.493 11.227 1.00 0.00 C ATOM 199 OG1 THR A 13 9.982 -1.384 11.212 1.00 0.00 O ATOM 200 CG2 THR A 13 9.941 -3.746 11.346 1.00 0.00 C ATOM 0 H THR A 13 8.111 -0.981 8.527 1.00 0.00 H new ATOM 0 HA THR A 13 8.110 -3.503 9.604 1.00 0.00 H new ATOM 0 HB THR A 13 8.426 -2.445 12.081 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.551 -1.407 12.009 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.561 -3.685 12.241 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.288 -4.616 11.415 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.580 -3.841 10.468 1.00 0.00 H new ATOM 208 N LEU A 14 5.847 -2.919 10.448 1.00 0.00 N ATOM 209 CA LEU A 14 4.478 -2.578 10.817 1.00 0.00 C ATOM 210 C LEU A 14 4.221 -2.869 12.292 1.00 0.00 C ATOM 211 O LEU A 14 4.515 -3.959 12.782 1.00 0.00 O ATOM 212 CB LEU A 14 3.479 -3.352 9.955 1.00 0.00 C ATOM 213 CG LEU A 14 2.101 -2.702 9.815 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.492 -2.430 11.181 1.00 0.00 C ATOM 215 CD2 LEU A 14 2.198 -1.416 9.008 1.00 0.00 C ATOM 0 H LEU A 14 5.997 -3.908 10.250 1.00 0.00 H new ATOM 0 HA LEU A 14 4.343 -1.510 10.644 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.905 -3.481 8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.352 -4.348 10.379 1.00 0.00 H new ATOM 0 HG LEU A 14 1.449 -3.395 9.283 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.513 -1.968 11.057 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.384 -3.369 11.725 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.142 -1.758 11.742 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.209 -0.967 8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.868 -0.720 9.512 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.587 -1.638 8.014 1.00 0.00 H new ATOM 227 N ILE A 15 3.664 -1.887 12.993 1.00 0.00 N ATOM 228 CA ILE A 15 3.358 -2.036 14.413 1.00 0.00 C ATOM 229 C ILE A 15 2.006 -2.715 14.619 1.00 0.00 C ATOM 230 O ILE A 15 1.898 -3.695 15.356 1.00 0.00 O ATOM 231 CB ILE A 15 3.360 -0.677 15.148 1.00 0.00 C ATOM 232 CG1 ILE A 15 2.651 0.396 14.314 1.00 0.00 C ATOM 233 CG2 ILE A 15 4.785 -0.250 15.468 1.00 0.00 C ATOM 234 CD1 ILE A 15 1.589 1.153 15.080 1.00 0.00 C ATOM 0 H ILE A 15 3.415 -0.979 12.602 1.00 0.00 H new ATOM 0 HA ILE A 15 4.144 -2.662 14.835 1.00 0.00 H new ATOM 0 HB ILE A 15 2.814 -0.794 16.084 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.392 1.103 13.941 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.194 -0.075 13.444 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.770 0.709 15.986 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.255 -0.999 16.105 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.353 -0.154 14.542 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.130 1.896 14.428 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.827 0.457 15.430 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.044 1.653 15.935 1.00 0.00 H new ATOM 246 N LYS A 16 0.976 -2.191 13.961 1.00 0.00 N ATOM 247 CA LYS A 16 -0.369 -2.746 14.067 1.00 0.00 C ATOM 248 C LYS A 16 -1.256 -2.216 12.945 1.00 0.00 C ATOM 249 O LYS A 16 -1.049 -1.111 12.445 1.00 0.00 O ATOM 250 CB LYS A 16 -0.980 -2.402 15.426 1.00 0.00 C ATOM 251 CG LYS A 16 -2.077 -3.362 15.856 1.00 0.00 C ATOM 252 CD LYS A 16 -2.950 -2.761 16.946 1.00 0.00 C ATOM 253 CE LYS A 16 -4.355 -3.339 16.914 1.00 0.00 C ATOM 254 NZ LYS A 16 -5.154 -2.801 15.779 1.00 0.00 N ATOM 0 H LYS A 16 1.048 -1.380 13.347 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.302 -3.830 13.975 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.193 -2.401 16.180 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.386 -1.391 15.388 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.694 -3.619 14.995 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.630 -4.289 16.216 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.499 -2.950 17.920 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.997 -1.679 16.821 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.299 -4.425 16.835 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.861 -3.114 17.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.167 -2.937 15.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.957 -1.786 15.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.898 -3.303 14.905 1.00 0.00 H new ATOM 268 N ALA A 17 -2.244 -3.014 12.550 1.00 0.00 N ATOM 269 CA ALA A 17 -3.157 -2.622 11.482 1.00 0.00 C ATOM 270 C ALA A 17 -4.612 -2.701 11.936 1.00 0.00 C ATOM 271 O ALA A 17 -4.972 -3.543 12.760 1.00 0.00 O ATOM 272 CB ALA A 17 -2.939 -3.498 10.258 1.00 0.00 C ATOM 0 H ALA A 17 -2.432 -3.932 12.952 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.944 -1.585 11.222 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.626 -3.196 9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.912 -3.386 9.909 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.122 -4.540 10.519 1.00 0.00 H new ATOM 278 N ILE A 18 -5.444 -1.818 11.391 1.00 0.00 N ATOM 279 CA ILE A 18 -6.860 -1.786 11.736 1.00 0.00 C ATOM 280 C ILE A 18 -7.729 -1.926 10.487 1.00 0.00 C ATOM 281 O ILE A 18 -7.238 -2.287 9.417 1.00 0.00 O ATOM 282 CB ILE A 18 -7.228 -0.485 12.482 1.00 0.00 C ATOM 283 CG1 ILE A 18 -7.053 0.732 11.570 1.00 0.00 C ATOM 284 CG2 ILE A 18 -6.375 -0.338 13.733 1.00 0.00 C ATOM 285 CD1 ILE A 18 -7.449 2.037 12.225 1.00 0.00 C ATOM 0 H ILE A 18 -5.161 -1.115 10.708 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.050 -2.631 12.398 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.276 -0.541 12.776 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.011 0.794 11.255 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.650 0.590 10.669 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.644 0.583 14.250 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.547 -1.188 14.393 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.322 -0.303 13.453 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.300 2.857 11.522 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.499 1.995 12.515 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.834 2.201 13.110 1.00 0.00 H new ATOM 297 N ASP A 19 -9.022 -1.647 10.626 1.00 0.00 N ATOM 298 CA ASP A 19 -9.952 -1.751 9.505 1.00 0.00 C ATOM 299 C ASP A 19 -9.721 -0.639 8.483 1.00 0.00 C ATOM 300 O ASP A 19 -10.602 0.186 8.239 1.00 0.00 O ATOM 301 CB ASP A 19 -11.396 -1.703 10.012 1.00 0.00 C ATOM 302 CG ASP A 19 -11.904 -3.067 10.438 1.00 0.00 C ATOM 303 OD1 ASP A 19 -11.564 -4.064 9.768 1.00 0.00 O ATOM 304 OD2 ASP A 19 -12.644 -3.136 11.442 1.00 0.00 O ATOM 0 H ASP A 19 -9.449 -1.348 11.502 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.774 -2.706 9.011 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.460 -1.015 10.855 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -12.041 -1.307 9.228 1.00 0.00 H new ATOM 309 N GLY A 20 -8.532 -0.630 7.880 1.00 0.00 N ATOM 310 CA GLY A 20 -8.205 0.379 6.882 1.00 0.00 C ATOM 311 C GLY A 20 -8.624 1.778 7.291 1.00 0.00 C ATOM 312 O GLY A 20 -9.631 2.297 6.811 1.00 0.00 O ATOM 0 H GLY A 20 -7.789 -1.304 8.065 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.130 0.367 6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.691 0.121 5.941 1.00 0.00 H new ATOM 316 N ASP A 21 -7.848 2.390 8.180 1.00 0.00 N ATOM 317 CA ASP A 21 -8.143 3.737 8.651 1.00 0.00 C ATOM 318 C ASP A 21 -6.858 4.494 8.965 1.00 0.00 C ATOM 319 O ASP A 21 -6.692 5.650 8.575 1.00 0.00 O ATOM 320 CB ASP A 21 -9.037 3.683 9.892 1.00 0.00 C ATOM 321 CG ASP A 21 -10.496 3.939 9.567 1.00 0.00 C ATOM 322 OD1 ASP A 21 -10.766 4.642 8.571 1.00 0.00 O ATOM 323 OD2 ASP A 21 -11.366 3.435 10.307 1.00 0.00 O ATOM 0 H ASP A 21 -7.011 1.974 8.588 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.671 4.266 7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.939 2.705 10.364 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.694 4.422 10.616 1.00 0.00 H new ATOM 328 N THR A 22 -5.951 3.831 9.677 1.00 0.00 N ATOM 329 CA THR A 22 -4.680 4.437 10.049 1.00 0.00 C ATOM 330 C THR A 22 -3.716 3.387 10.595 1.00 0.00 C ATOM 331 O THR A 22 -3.878 2.904 11.716 1.00 0.00 O ATOM 332 CB THR A 22 -4.900 5.536 11.095 1.00 0.00 C ATOM 333 OG1 THR A 22 -3.697 5.824 11.784 1.00 0.00 O ATOM 334 CG2 THR A 22 -5.945 5.178 12.131 1.00 0.00 C ATOM 0 H THR A 22 -6.074 2.874 10.007 1.00 0.00 H new ATOM 0 HA THR A 22 -4.241 4.879 9.154 1.00 0.00 H new ATOM 0 HB THR A 22 -5.250 6.401 10.532 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.945 5.794 11.156 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.051 5.999 12.840 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.900 5.000 11.638 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.637 4.277 12.662 1.00 0.00 H new ATOM 342 N VAL A 23 -2.709 3.045 9.799 1.00 0.00 N ATOM 343 CA VAL A 23 -1.715 2.061 10.206 1.00 0.00 C ATOM 344 C VAL A 23 -0.317 2.669 10.188 1.00 0.00 C ATOM 345 O VAL A 23 0.202 3.029 9.132 1.00 0.00 O ATOM 346 CB VAL A 23 -1.739 0.815 9.299 1.00 0.00 C ATOM 347 CG1 VAL A 23 -3.080 0.105 9.405 1.00 0.00 C ATOM 348 CG2 VAL A 23 -1.438 1.189 7.853 1.00 0.00 C ATOM 0 H VAL A 23 -2.560 3.435 8.868 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.968 1.754 11.221 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.961 0.131 9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.079 -0.772 8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.247 -0.205 10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.876 0.783 9.096 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.461 0.293 7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.187 1.896 7.497 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.450 1.646 7.793 1.00 0.00 H new ATOM 358 N LYS A 24 0.284 2.790 11.364 1.00 0.00 N ATOM 359 CA LYS A 24 1.616 3.364 11.482 1.00 0.00 C ATOM 360 C LYS A 24 2.696 2.301 11.311 1.00 0.00 C ATOM 361 O LYS A 24 2.510 1.145 11.686 1.00 0.00 O ATOM 362 CB LYS A 24 1.774 4.063 12.832 1.00 0.00 C ATOM 363 CG LYS A 24 1.816 5.579 12.731 1.00 0.00 C ATOM 364 CD LYS A 24 1.324 6.239 14.010 1.00 0.00 C ATOM 365 CE LYS A 24 -0.177 6.468 13.976 1.00 0.00 C ATOM 366 NZ LYS A 24 -0.920 5.238 13.588 1.00 0.00 N ATOM 0 H LYS A 24 -0.130 2.498 12.249 1.00 0.00 H new ATOM 0 HA LYS A 24 1.736 4.097 10.684 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.947 3.773 13.481 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.690 3.713 13.308 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.836 5.902 12.523 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.201 5.906 11.892 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.578 5.613 14.865 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.835 7.191 14.149 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.515 6.802 14.957 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.406 7.267 13.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.938 5.447 13.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.592 4.914 12.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.750 4.493 14.293 1.00 0.00 H new ATOM 380 N LEU A 25 3.825 2.708 10.744 1.00 0.00 N ATOM 381 CA LEU A 25 4.945 1.804 10.525 1.00 0.00 C ATOM 382 C LEU A 25 6.256 2.498 10.872 1.00 0.00 C ATOM 383 O LEU A 25 6.457 3.665 10.536 1.00 0.00 O ATOM 384 CB LEU A 25 4.973 1.329 9.069 1.00 0.00 C ATOM 385 CG LEU A 25 4.562 2.380 8.035 1.00 0.00 C ATOM 386 CD1 LEU A 25 5.399 2.247 6.774 1.00 0.00 C ATOM 387 CD2 LEU A 25 3.079 2.254 7.709 1.00 0.00 C ATOM 0 H LEU A 25 3.989 3.663 10.426 1.00 0.00 H new ATOM 0 HA LEU A 25 4.821 0.936 11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.981 0.986 8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.312 0.468 8.971 1.00 0.00 H new ATOM 0 HG LEU A 25 4.739 3.368 8.460 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.091 3.003 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.452 2.387 7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.255 1.255 6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.803 3.008 6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.878 1.262 7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.493 2.401 8.616 1.00 0.00 H new ATOM 399 N MET A 26 7.142 1.783 11.555 1.00 0.00 N ATOM 400 CA MET A 26 8.425 2.348 11.950 1.00 0.00 C ATOM 401 C MET A 26 9.349 2.491 10.746 1.00 0.00 C ATOM 402 O MET A 26 9.983 1.528 10.318 1.00 0.00 O ATOM 403 CB MET A 26 9.087 1.471 13.012 1.00 0.00 C ATOM 404 CG MET A 26 9.941 2.250 13.999 1.00 0.00 C ATOM 405 SD MET A 26 8.966 3.008 15.311 1.00 0.00 S ATOM 406 CE MET A 26 10.262 3.621 16.385 1.00 0.00 C ATOM 0 H MET A 26 6.996 0.816 11.845 1.00 0.00 H new ATOM 0 HA MET A 26 8.244 3.338 12.368 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.314 0.932 13.560 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.708 0.723 12.518 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.680 1.582 14.441 1.00 0.00 H new ATOM 0 HG3 MET A 26 10.491 3.025 13.465 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.816 4.118 17.246 1.00 0.00 H new ATOM 0 HE2 MET A 26 10.877 2.788 16.725 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.883 4.331 15.838 1.00 0.00 H new ATOM 416 N TYR A 27 9.423 3.705 10.209 1.00 0.00 N ATOM 417 CA TYR A 27 10.272 3.981 9.056 1.00 0.00 C ATOM 418 C TYR A 27 11.333 5.021 9.404 1.00 0.00 C ATOM 419 O TYR A 27 11.013 6.167 9.716 1.00 0.00 O ATOM 420 CB TYR A 27 9.425 4.468 7.878 1.00 0.00 C ATOM 421 CG TYR A 27 10.240 4.879 6.672 1.00 0.00 C ATOM 422 CD1 TYR A 27 10.608 3.950 5.709 1.00 0.00 C ATOM 423 CD2 TYR A 27 10.641 6.198 6.500 1.00 0.00 C ATOM 424 CE1 TYR A 27 11.356 4.322 4.606 1.00 0.00 C ATOM 425 CE2 TYR A 27 11.387 6.578 5.401 1.00 0.00 C ATOM 426 CZ TYR A 27 11.742 5.637 4.457 1.00 0.00 C ATOM 427 OH TYR A 27 12.485 6.012 3.362 1.00 0.00 O ATOM 0 H TYR A 27 8.905 4.513 10.554 1.00 0.00 H new ATOM 0 HA TYR A 27 10.774 3.056 8.772 1.00 0.00 H new ATOM 0 HB2 TYR A 27 8.735 3.676 7.586 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.820 5.315 8.202 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.305 2.919 5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.365 6.938 7.237 1.00 0.00 H new ATOM 0 HE1 TYR A 27 11.636 3.587 3.866 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.691 7.607 5.282 1.00 0.00 H new ATOM 0 HH TYR A 27 12.673 6.973 3.408 1.00 0.00 H new ATOM 437 N LYS A 28 12.596 4.610 9.350 1.00 0.00 N ATOM 438 CA LYS A 28 13.703 5.506 9.661 1.00 0.00 C ATOM 439 C LYS A 28 13.579 6.052 11.082 1.00 0.00 C ATOM 440 O LYS A 28 14.052 7.149 11.378 1.00 0.00 O ATOM 441 CB LYS A 28 13.748 6.662 8.661 1.00 0.00 C ATOM 442 CG LYS A 28 14.557 6.354 7.412 1.00 0.00 C ATOM 443 CD LYS A 28 15.996 6.002 7.754 1.00 0.00 C ATOM 444 CE LYS A 28 16.899 6.105 6.534 1.00 0.00 C ATOM 445 NZ LYS A 28 16.367 5.324 5.383 1.00 0.00 N ATOM 0 H LYS A 28 12.878 3.664 9.094 1.00 0.00 H new ATOM 0 HA LYS A 28 14.629 4.936 9.589 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.730 6.920 8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.171 7.539 9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.097 5.525 6.874 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.541 7.216 6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.360 6.670 8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.039 4.990 8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.003 7.151 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.896 5.744 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.079 5.293 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.148 4.355 5.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.502 5.777 5.026 1.00 0.00 H new ATOM 459 N GLY A 29 12.942 5.279 11.954 1.00 0.00 N ATOM 460 CA GLY A 29 12.768 5.701 13.331 1.00 0.00 C ATOM 461 C GLY A 29 11.685 6.752 13.485 1.00 0.00 C ATOM 462 O GLY A 29 11.708 7.540 14.430 1.00 0.00 O ATOM 0 H GLY A 29 12.543 4.367 11.732 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.519 4.835 13.944 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.711 6.098 13.708 1.00 0.00 H new ATOM 466 N GLN A 30 10.735 6.764 12.556 1.00 0.00 N ATOM 467 CA GLN A 30 9.641 7.727 12.595 1.00 0.00 C ATOM 468 C GLN A 30 8.329 7.081 12.146 1.00 0.00 C ATOM 469 O GLN A 30 8.183 6.709 10.981 1.00 0.00 O ATOM 470 CB GLN A 30 9.962 8.929 11.703 1.00 0.00 C ATOM 471 CG GLN A 30 9.444 10.247 12.252 1.00 0.00 C ATOM 472 CD GLN A 30 8.162 10.694 11.577 1.00 0.00 C ATOM 473 OE1 GLN A 30 7.285 9.883 11.282 1.00 0.00 O ATOM 474 NE2 GLN A 30 8.047 11.995 11.328 1.00 0.00 N ATOM 0 H GLN A 30 10.701 6.118 11.767 1.00 0.00 H new ATOM 0 HA GLN A 30 9.524 8.066 13.624 1.00 0.00 H new ATOM 0 HB2 GLN A 30 11.042 8.998 11.574 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.533 8.763 10.715 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.271 10.147 13.324 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.206 11.015 12.122 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.799 12.633 11.590 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.207 12.355 10.875 1.00 0.00 H new ATOM 483 N PRO A 31 7.355 6.936 13.063 1.00 0.00 N ATOM 484 CA PRO A 31 6.057 6.328 12.745 1.00 0.00 C ATOM 485 C PRO A 31 5.314 7.090 11.654 1.00 0.00 C ATOM 486 O PRO A 31 5.338 8.320 11.616 1.00 0.00 O ATOM 487 CB PRO A 31 5.283 6.403 14.067 1.00 0.00 C ATOM 488 CG PRO A 31 6.326 6.564 15.117 1.00 0.00 C ATOM 489 CD PRO A 31 7.437 7.343 14.476 1.00 0.00 C ATOM 0 HA PRO A 31 6.171 5.314 12.363 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.588 7.242 14.070 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.694 5.501 14.231 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.929 7.091 15.984 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.680 5.595 15.468 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.297 8.417 14.595 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.406 7.097 14.911 1.00 0.00 H new ATOM 497 N MET A 32 4.656 6.351 10.767 1.00 0.00 N ATOM 498 CA MET A 32 3.908 6.957 9.672 1.00 0.00 C ATOM 499 C MET A 32 2.614 6.190 9.403 1.00 0.00 C ATOM 500 O MET A 32 2.640 5.057 8.925 1.00 0.00 O ATOM 501 CB MET A 32 4.769 6.995 8.408 1.00 0.00 C ATOM 502 CG MET A 32 5.464 8.329 8.186 1.00 0.00 C ATOM 503 SD MET A 32 4.496 9.457 7.166 1.00 0.00 S ATOM 504 CE MET A 32 5.344 11.004 7.476 1.00 0.00 C ATOM 0 H MET A 32 4.626 5.332 10.785 1.00 0.00 H new ATOM 0 HA MET A 32 3.647 7.976 9.959 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.521 6.208 8.467 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.142 6.773 7.544 1.00 0.00 H new ATOM 0 HG2 MET A 32 5.661 8.796 9.151 1.00 0.00 H new ATOM 0 HG3 MET A 32 6.430 8.156 7.712 1.00 0.00 H new ATOM 0 HE1 MET A 32 4.980 11.764 6.784 1.00 0.00 H new ATOM 0 HE2 MET A 32 5.153 11.324 8.500 1.00 0.00 H new ATOM 0 HE3 MET A 32 6.416 10.867 7.332 1.00 0.00 H new ATOM 514 N THR A 33 1.483 6.820 9.714 1.00 0.00 N ATOM 515 CA THR A 33 0.175 6.200 9.511 1.00 0.00 C ATOM 516 C THR A 33 -0.245 6.265 8.045 1.00 0.00 C ATOM 517 O THR A 33 -0.035 7.274 7.371 1.00 0.00 O ATOM 518 CB THR A 33 -0.880 6.884 10.383 1.00 0.00 C ATOM 519 OG1 THR A 33 -2.183 6.499 9.982 1.00 0.00 O ATOM 520 CG2 THR A 33 -0.815 8.394 10.335 1.00 0.00 C ATOM 0 H THR A 33 1.446 7.760 10.108 1.00 0.00 H new ATOM 0 HA THR A 33 0.255 5.152 9.800 1.00 0.00 H new ATOM 0 HB THR A 33 -0.664 6.562 11.402 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.779 7.276 10.017 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.591 8.812 10.976 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.162 8.727 10.684 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.969 8.732 9.310 1.00 0.00 H new ATOM 528 N PHE A 34 -0.845 5.181 7.558 1.00 0.00 N ATOM 529 CA PHE A 34 -1.299 5.109 6.172 1.00 0.00 C ATOM 530 C PHE A 34 -2.637 4.377 6.066 1.00 0.00 C ATOM 531 O PHE A 34 -2.852 3.358 6.720 1.00 0.00 O ATOM 532 CB PHE A 34 -0.255 4.398 5.309 1.00 0.00 C ATOM 533 CG PHE A 34 1.073 5.100 5.264 1.00 0.00 C ATOM 534 CD1 PHE A 34 1.143 6.466 5.048 1.00 0.00 C ATOM 535 CD2 PHE A 34 2.251 4.390 5.435 1.00 0.00 C ATOM 536 CE1 PHE A 34 2.364 7.113 5.004 1.00 0.00 C ATOM 537 CE2 PHE A 34 3.475 5.032 5.391 1.00 0.00 C ATOM 538 CZ PHE A 34 3.530 6.396 5.175 1.00 0.00 C ATOM 0 H PHE A 34 -1.028 4.339 8.104 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.434 6.129 5.812 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.109 3.387 5.691 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.640 4.303 4.294 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.233 7.032 4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.213 3.324 5.604 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.405 8.179 4.836 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.386 4.468 5.525 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.485 6.900 5.140 1.00 0.00 H new ATOM 548 N ARG A 35 -3.527 4.900 5.230 1.00 0.00 N ATOM 549 CA ARG A 35 -4.839 4.294 5.028 1.00 0.00 C ATOM 550 C ARG A 35 -4.866 3.488 3.730 1.00 0.00 C ATOM 551 O ARG A 35 -4.187 3.832 2.763 1.00 0.00 O ATOM 552 CB ARG A 35 -5.922 5.372 4.999 1.00 0.00 C ATOM 553 CG ARG A 35 -7.329 4.827 5.181 1.00 0.00 C ATOM 554 CD ARG A 35 -8.381 5.870 4.837 1.00 0.00 C ATOM 555 NE ARG A 35 -8.851 6.582 6.022 1.00 0.00 N ATOM 556 CZ ARG A 35 -9.591 7.687 5.977 1.00 0.00 C ATOM 557 NH1 ARG A 35 -9.945 8.209 4.810 1.00 0.00 N ATOM 558 NH2 ARG A 35 -9.975 8.273 7.103 1.00 0.00 N ATOM 0 H ARG A 35 -3.364 5.744 4.680 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.036 3.618 5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -5.719 6.100 5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.868 5.904 4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.465 3.950 4.549 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.463 4.500 6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.965 6.584 4.126 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.225 5.386 4.346 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.597 6.211 6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.650 7.763 3.941 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.512 9.056 4.781 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.703 7.877 8.003 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.542 9.120 7.069 1.00 0.00 H new ATOM 572 N LEU A 36 -5.653 2.416 3.717 1.00 0.00 N ATOM 573 CA LEU A 36 -5.764 1.560 2.538 1.00 0.00 C ATOM 574 C LEU A 36 -6.197 2.358 1.311 1.00 0.00 C ATOM 575 O LEU A 36 -6.598 3.518 1.420 1.00 0.00 O ATOM 576 CB LEU A 36 -6.755 0.422 2.792 1.00 0.00 C ATOM 577 CG LEU A 36 -8.048 0.822 3.509 1.00 0.00 C ATOM 578 CD1 LEU A 36 -8.706 2.007 2.818 1.00 0.00 C ATOM 579 CD2 LEU A 36 -9.005 -0.359 3.568 1.00 0.00 C ATOM 0 H LEU A 36 -6.223 2.119 4.509 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.778 1.139 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.016 -0.030 1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.256 -0.347 3.382 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.797 1.120 4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.622 2.273 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.024 2.857 2.825 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.944 1.741 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.920 -0.061 4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.245 -0.684 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.537 -1.180 4.111 1.00 0.00 H new ATOM 591 N LEU A 37 -6.116 1.726 0.145 1.00 0.00 N ATOM 592 CA LEU A 37 -6.502 2.372 -1.106 1.00 0.00 C ATOM 593 C LEU A 37 -7.939 2.021 -1.480 1.00 0.00 C ATOM 594 O LEU A 37 -8.508 1.062 -0.961 1.00 0.00 O ATOM 595 CB LEU A 37 -5.552 1.977 -2.247 1.00 0.00 C ATOM 596 CG LEU A 37 -5.180 0.491 -2.338 1.00 0.00 C ATOM 597 CD1 LEU A 37 -4.074 0.145 -1.352 1.00 0.00 C ATOM 598 CD2 LEU A 37 -6.399 -0.396 -2.114 1.00 0.00 C ATOM 0 H LEU A 37 -5.786 0.767 0.039 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.434 3.449 -0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.009 2.274 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.633 2.554 -2.142 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.808 0.304 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.829 -0.914 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.189 0.741 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.411 0.359 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.105 -1.443 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.814 -0.201 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.151 -0.179 -2.872 1.00 0.00 H new ATOM 610 N LEU A 38 -8.517 2.802 -2.385 1.00 0.00 N ATOM 611 CA LEU A 38 -9.886 2.571 -2.831 1.00 0.00 C ATOM 612 C LEU A 38 -9.903 1.921 -4.210 1.00 0.00 C ATOM 613 O LEU A 38 -9.798 2.602 -5.230 1.00 0.00 O ATOM 614 CB LEU A 38 -10.665 3.888 -2.865 1.00 0.00 C ATOM 615 CG LEU A 38 -9.974 5.030 -3.613 1.00 0.00 C ATOM 616 CD1 LEU A 38 -10.993 5.863 -4.375 1.00 0.00 C ATOM 617 CD2 LEU A 38 -9.190 5.904 -2.644 1.00 0.00 C ATOM 0 H LEU A 38 -8.059 3.601 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.364 1.895 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.636 3.707 -3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.854 4.207 -1.840 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.277 4.598 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -10.483 6.670 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.513 5.232 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.715 6.285 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.705 6.711 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.869 6.326 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.434 5.302 -2.141 1.00 0.00 H new ATOM 629 N VAL A 39 -10.036 0.600 -4.234 1.00 0.00 N ATOM 630 CA VAL A 39 -10.066 -0.144 -5.487 1.00 0.00 C ATOM 631 C VAL A 39 -11.466 -0.677 -5.778 1.00 0.00 C ATOM 632 O VAL A 39 -12.030 -1.433 -4.985 1.00 0.00 O ATOM 633 CB VAL A 39 -9.067 -1.317 -5.466 1.00 0.00 C ATOM 634 CG1 VAL A 39 -9.443 -2.327 -4.390 1.00 0.00 C ATOM 635 CG2 VAL A 39 -8.996 -1.983 -6.833 1.00 0.00 C ATOM 0 H VAL A 39 -10.125 0.022 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.779 0.550 -6.277 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.080 -0.922 -5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.724 -3.146 -4.393 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.434 -1.840 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -10.440 -2.718 -4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.286 -2.809 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.981 -2.363 -7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.670 -1.255 -7.576 1.00 0.00 H new ATOM 645 N ASP A 40 -12.018 -0.283 -6.919 1.00 0.00 N ATOM 646 CA ASP A 40 -13.349 -0.723 -7.316 1.00 0.00 C ATOM 647 C ASP A 40 -13.308 -1.421 -8.670 1.00 0.00 C ATOM 648 O ASP A 40 -12.526 -1.053 -9.548 1.00 0.00 O ATOM 649 CB ASP A 40 -14.308 0.468 -7.373 1.00 0.00 C ATOM 650 CG ASP A 40 -15.761 0.047 -7.279 1.00 0.00 C ATOM 651 OD1 ASP A 40 -16.272 -0.078 -6.146 1.00 0.00 O ATOM 652 OD2 ASP A 40 -16.388 -0.159 -8.339 1.00 0.00 O ATOM 0 H ASP A 40 -11.564 0.341 -7.586 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.707 -1.433 -6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.078 1.155 -6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.150 1.013 -8.304 1.00 0.00 H new ATOM 657 N THR A 41 -14.154 -2.433 -8.835 1.00 0.00 N ATOM 658 CA THR A 41 -14.214 -3.185 -10.082 1.00 0.00 C ATOM 659 C THR A 41 -15.416 -2.753 -10.923 1.00 0.00 C ATOM 660 O THR A 41 -16.563 -2.930 -10.510 1.00 0.00 O ATOM 661 CB THR A 41 -14.294 -4.685 -9.793 1.00 0.00 C ATOM 662 OG1 THR A 41 -14.597 -5.407 -10.973 1.00 0.00 O ATOM 663 CG2 THR A 41 -15.339 -5.040 -8.758 1.00 0.00 C ATOM 0 H THR A 41 -14.808 -2.751 -8.120 1.00 0.00 H new ATOM 0 HA THR A 41 -13.305 -2.977 -10.646 1.00 0.00 H new ATOM 0 HB THR A 41 -13.313 -4.957 -9.404 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.799 -6.338 -10.744 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.343 -6.119 -8.600 1.00 0.00 H new ATOM 0 HG22 THR A 41 -15.107 -4.537 -7.819 1.00 0.00 H new ATOM 0 HG23 THR A 41 -16.321 -4.721 -9.108 1.00 0.00 H new ATOM 671 N PRO A 42 -15.175 -2.180 -12.117 1.00 0.00 N ATOM 672 CA PRO A 42 -16.252 -1.729 -13.005 1.00 0.00 C ATOM 673 C PRO A 42 -17.063 -2.893 -13.563 1.00 0.00 C ATOM 674 O PRO A 42 -16.611 -4.039 -13.554 1.00 0.00 O ATOM 675 CB PRO A 42 -15.511 -1.005 -14.131 1.00 0.00 C ATOM 676 CG PRO A 42 -14.144 -1.596 -14.130 1.00 0.00 C ATOM 677 CD PRO A 42 -13.841 -1.930 -12.696 1.00 0.00 C ATOM 0 HA PRO A 42 -16.974 -1.101 -12.483 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.006 -1.155 -15.090 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.477 0.070 -13.955 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.103 -2.488 -14.756 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.414 -0.892 -14.530 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.196 -2.805 -12.614 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.330 -1.110 -12.191 1.00 0.00 H new ATOM 685 N GLU A 43 -18.262 -2.594 -14.048 1.00 0.00 N ATOM 686 CA GLU A 43 -19.136 -3.619 -14.609 1.00 0.00 C ATOM 687 C GLU A 43 -18.630 -4.075 -15.977 1.00 0.00 C ATOM 688 O GLU A 43 -17.949 -5.096 -16.086 1.00 0.00 O ATOM 689 CB GLU A 43 -20.570 -3.093 -14.717 1.00 0.00 C ATOM 690 CG GLU A 43 -21.532 -4.070 -15.376 1.00 0.00 C ATOM 691 CD GLU A 43 -22.601 -4.571 -14.424 1.00 0.00 C ATOM 692 OE1 GLU A 43 -22.375 -4.519 -13.197 1.00 0.00 O ATOM 693 OE2 GLU A 43 -23.666 -5.012 -14.906 1.00 0.00 O ATOM 0 H GLU A 43 -18.652 -1.652 -14.065 1.00 0.00 H new ATOM 0 HA GLU A 43 -19.129 -4.479 -13.940 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -20.936 -2.854 -13.718 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -20.565 -2.163 -15.285 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -22.008 -3.585 -16.228 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -20.971 -4.920 -15.765 1.00 0.00 H new ATOM 700 N THR A 44 -18.964 -3.316 -17.017 1.00 0.00 N ATOM 701 CA THR A 44 -18.539 -3.649 -18.373 1.00 0.00 C ATOM 702 C THR A 44 -17.519 -2.639 -18.888 1.00 0.00 C ATOM 703 O THR A 44 -17.880 -1.540 -19.312 1.00 0.00 O ATOM 704 CB THR A 44 -19.746 -3.700 -19.313 1.00 0.00 C ATOM 705 OG1 THR A 44 -20.954 -3.787 -18.577 1.00 0.00 O ATOM 706 CG2 THR A 44 -19.708 -4.870 -20.271 1.00 0.00 C ATOM 0 H THR A 44 -19.526 -2.468 -16.947 1.00 0.00 H new ATOM 0 HA THR A 44 -18.068 -4.632 -18.347 1.00 0.00 H new ATOM 0 HB THR A 44 -19.701 -2.776 -19.889 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.713 -3.817 -19.196 1.00 0.00 H new ATOM 0 HG21 THR A 44 -20.592 -4.847 -20.909 1.00 0.00 H new ATOM 0 HG22 THR A 44 -18.813 -4.805 -20.889 1.00 0.00 H new ATOM 0 HG23 THR A 44 -19.692 -5.802 -19.706 1.00 0.00 H new ATOM 714 N LYS A 45 -16.245 -3.017 -18.850 1.00 0.00 N ATOM 715 CA LYS A 45 -15.175 -2.142 -19.316 1.00 0.00 C ATOM 716 C LYS A 45 -13.820 -2.835 -19.211 1.00 0.00 C ATOM 717 O LYS A 45 -13.281 -3.317 -20.208 1.00 0.00 O ATOM 718 CB LYS A 45 -15.164 -0.841 -18.509 1.00 0.00 C ATOM 719 CG LYS A 45 -15.864 0.314 -19.207 1.00 0.00 C ATOM 720 CD LYS A 45 -15.134 1.628 -18.981 1.00 0.00 C ATOM 721 CE LYS A 45 -16.104 2.795 -18.898 1.00 0.00 C ATOM 722 NZ LYS A 45 -15.584 3.891 -18.035 1.00 0.00 N ATOM 0 H LYS A 45 -15.929 -3.922 -18.502 1.00 0.00 H new ATOM 0 HA LYS A 45 -15.360 -1.908 -20.364 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.643 -1.017 -17.546 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.131 -0.559 -18.304 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.926 0.110 -20.276 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.887 0.397 -18.839 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.553 1.570 -18.060 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.427 1.798 -19.793 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.294 3.181 -19.900 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.059 2.446 -18.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.276 4.667 -18.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.427 3.530 -17.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.686 4.242 -18.424 1.00 0.00 H new ATOM 736 N HIS A 46 -13.273 -2.881 -18.001 1.00 0.00 N ATOM 737 CA HIS A 46 -11.980 -3.515 -17.769 1.00 0.00 C ATOM 738 C HIS A 46 -12.134 -4.774 -16.917 1.00 0.00 C ATOM 739 O HIS A 46 -13.166 -4.980 -16.279 1.00 0.00 O ATOM 740 CB HIS A 46 -11.025 -2.536 -17.083 1.00 0.00 C ATOM 741 CG HIS A 46 -10.292 -1.648 -18.038 1.00 0.00 C ATOM 742 ND1 HIS A 46 -8.917 -1.583 -18.101 1.00 0.00 N ATOM 743 CD2 HIS A 46 -10.751 -0.785 -18.976 1.00 0.00 C ATOM 744 CE1 HIS A 46 -8.560 -0.717 -19.034 1.00 0.00 C ATOM 745 NE2 HIS A 46 -9.655 -0.221 -19.579 1.00 0.00 N ATOM 0 H HIS A 46 -13.705 -2.487 -17.165 1.00 0.00 H new ATOM 0 HA HIS A 46 -11.566 -3.801 -18.736 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -11.590 -1.918 -16.386 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -10.301 -3.099 -16.495 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -11.786 -0.579 -19.206 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.546 -0.460 -19.304 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.682 0.471 -20.328 1.00 0.00 H new ATOM 754 N PRO A 47 -11.103 -5.636 -16.898 1.00 0.00 N ATOM 755 CA PRO A 47 -11.128 -6.880 -16.120 1.00 0.00 C ATOM 756 C PRO A 47 -11.480 -6.640 -14.657 1.00 0.00 C ATOM 757 O PRO A 47 -11.166 -5.590 -14.096 1.00 0.00 O ATOM 758 CB PRO A 47 -9.697 -7.410 -16.244 1.00 0.00 C ATOM 759 CG PRO A 47 -9.183 -6.817 -17.511 1.00 0.00 C ATOM 760 CD PRO A 47 -9.834 -5.467 -17.630 1.00 0.00 C ATOM 0 HA PRO A 47 -11.885 -7.573 -16.487 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.088 -7.110 -15.391 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.680 -8.499 -16.281 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.097 -6.726 -17.487 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.431 -7.447 -18.365 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.217 -4.683 -17.190 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.004 -5.193 -18.671 1.00 0.00 H new ATOM 768 N LYS A 48 -12.137 -7.620 -14.044 1.00 0.00 N ATOM 769 CA LYS A 48 -12.532 -7.515 -12.644 1.00 0.00 C ATOM 770 C LYS A 48 -11.351 -7.793 -11.722 1.00 0.00 C ATOM 771 O LYS A 48 -10.522 -8.657 -12.003 1.00 0.00 O ATOM 772 CB LYS A 48 -13.670 -8.491 -12.341 1.00 0.00 C ATOM 773 CG LYS A 48 -13.284 -9.950 -12.524 1.00 0.00 C ATOM 774 CD LYS A 48 -14.220 -10.875 -11.762 1.00 0.00 C ATOM 775 CE LYS A 48 -15.255 -11.498 -12.682 1.00 0.00 C ATOM 776 NZ LYS A 48 -14.646 -12.484 -13.617 1.00 0.00 N ATOM 0 H LYS A 48 -12.407 -8.495 -14.494 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.876 -6.496 -12.465 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.005 -8.338 -11.315 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.516 -8.263 -12.990 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.305 -10.203 -13.584 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.261 -10.102 -12.180 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.641 -11.662 -11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.722 -10.316 -10.972 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.022 -11.990 -12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.751 -10.714 -13.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.381 -13.131 -13.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.216 -11.982 -14.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.914 -13.029 -13.118 1.00 0.00 H new ATOM 790 N LYS A 49 -11.281 -7.054 -10.620 1.00 0.00 N ATOM 791 CA LYS A 49 -10.201 -7.220 -9.655 1.00 0.00 C ATOM 792 C LYS A 49 -10.505 -6.471 -8.363 1.00 0.00 C ATOM 793 O LYS A 49 -10.295 -6.990 -7.266 1.00 0.00 O ATOM 794 CB LYS A 49 -8.879 -6.725 -10.247 1.00 0.00 C ATOM 795 CG LYS A 49 -8.944 -5.301 -10.776 1.00 0.00 C ATOM 796 CD LYS A 49 -7.615 -4.868 -11.371 1.00 0.00 C ATOM 797 CE LYS A 49 -7.298 -3.420 -11.030 1.00 0.00 C ATOM 798 NZ LYS A 49 -6.698 -3.287 -9.675 1.00 0.00 N ATOM 0 H LYS A 49 -11.960 -6.334 -10.373 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.113 -8.282 -9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.104 -6.785 -9.483 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.581 -7.391 -11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.724 -5.228 -11.534 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.220 -4.624 -9.968 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.820 -5.513 -10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.643 -4.990 -12.454 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.611 -3.014 -11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.211 -2.827 -11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.497 -2.285 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.364 -3.650 -8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.813 -3.832 -9.632 1.00 0.00 H new ATOM 812 N GLY A 50 -11.004 -5.245 -8.499 1.00 0.00 N ATOM 813 CA GLY A 50 -11.331 -4.444 -7.335 1.00 0.00 C ATOM 814 C GLY A 50 -12.388 -5.091 -6.463 1.00 0.00 C ATOM 815 O GLY A 50 -13.006 -6.080 -6.854 1.00 0.00 O ATOM 0 H GLY A 50 -11.187 -4.793 -9.395 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.429 -4.280 -6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.682 -3.464 -7.659 1.00 0.00 H new ATOM 819 N VAL A 51 -12.596 -4.531 -5.274 1.00 0.00 N ATOM 820 CA VAL A 51 -13.587 -5.060 -4.345 1.00 0.00 C ATOM 821 C VAL A 51 -14.849 -4.204 -4.344 1.00 0.00 C ATOM 822 O VAL A 51 -14.821 -3.039 -4.743 1.00 0.00 O ATOM 823 CB VAL A 51 -13.024 -5.140 -2.910 1.00 0.00 C ATOM 824 CG1 VAL A 51 -12.646 -3.756 -2.403 1.00 0.00 C ATOM 825 CG2 VAL A 51 -14.026 -5.803 -1.976 1.00 0.00 C ATOM 0 H VAL A 51 -12.092 -3.713 -4.933 1.00 0.00 H new ATOM 0 HA VAL A 51 -13.837 -6.066 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.122 -5.752 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -12.251 -3.835 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.887 -3.324 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -13.528 -3.116 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.610 -5.850 -0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -14.948 -5.222 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -14.239 -6.813 -2.328 1.00 0.00 H new ATOM 835 N GLU A 52 -15.955 -4.786 -3.890 1.00 0.00 N ATOM 836 CA GLU A 52 -17.226 -4.075 -3.836 1.00 0.00 C ATOM 837 C GLU A 52 -17.424 -3.422 -2.472 1.00 0.00 C ATOM 838 O GLU A 52 -16.934 -3.922 -1.458 1.00 0.00 O ATOM 839 CB GLU A 52 -18.383 -5.031 -4.130 1.00 0.00 C ATOM 840 CG GLU A 52 -18.178 -5.869 -5.381 1.00 0.00 C ATOM 841 CD GLU A 52 -17.775 -7.297 -5.068 1.00 0.00 C ATOM 842 OE1 GLU A 52 -16.564 -7.542 -4.878 1.00 0.00 O ATOM 843 OE2 GLU A 52 -18.667 -8.168 -5.014 1.00 0.00 O ATOM 0 H GLU A 52 -15.996 -5.748 -3.554 1.00 0.00 H new ATOM 0 HA GLU A 52 -17.210 -3.293 -4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.520 -5.695 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -19.302 -4.454 -4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -19.099 -5.875 -5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -17.410 -5.407 -6.002 1.00 0.00 H new ATOM 850 N LYS A 53 -18.143 -2.306 -2.453 1.00 0.00 N ATOM 851 CA LYS A 53 -18.403 -1.587 -1.210 1.00 0.00 C ATOM 852 C LYS A 53 -19.127 -2.478 -0.208 1.00 0.00 C ATOM 853 O LYS A 53 -20.357 -2.533 -0.184 1.00 0.00 O ATOM 854 CB LYS A 53 -19.230 -0.330 -1.488 1.00 0.00 C ATOM 855 CG LYS A 53 -18.785 0.882 -0.686 1.00 0.00 C ATOM 856 CD LYS A 53 -19.039 2.176 -1.444 1.00 0.00 C ATOM 857 CE LYS A 53 -20.284 2.887 -0.936 1.00 0.00 C ATOM 858 NZ LYS A 53 -19.950 4.136 -0.199 1.00 0.00 N ATOM 0 H LYS A 53 -18.556 -1.879 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.445 -1.294 -0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -19.170 -0.094 -2.550 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -20.277 -0.538 -1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -19.317 0.906 0.265 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.723 0.797 -0.455 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -18.176 2.834 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -19.151 1.960 -2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -20.934 3.125 -1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -20.842 2.218 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -20.826 4.590 0.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -19.350 3.907 0.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -19.440 4.786 -0.831 1.00 0.00 H new ATOM 872 N TYR A 54 -18.357 -3.176 0.620 1.00 0.00 N ATOM 873 CA TYR A 54 -18.925 -4.066 1.627 1.00 0.00 C ATOM 874 C TYR A 54 -18.660 -3.537 3.033 1.00 0.00 C ATOM 875 O TYR A 54 -19.481 -3.706 3.935 1.00 0.00 O ATOM 876 CB TYR A 54 -18.344 -5.473 1.482 1.00 0.00 C ATOM 877 CG TYR A 54 -19.111 -6.350 0.518 1.00 0.00 C ATOM 878 CD1 TYR A 54 -20.487 -6.506 0.635 1.00 0.00 C ATOM 879 CD2 TYR A 54 -18.459 -7.020 -0.510 1.00 0.00 C ATOM 880 CE1 TYR A 54 -21.192 -7.306 -0.244 1.00 0.00 C ATOM 881 CE2 TYR A 54 -19.157 -7.821 -1.394 1.00 0.00 C ATOM 882 CZ TYR A 54 -20.522 -7.961 -1.257 1.00 0.00 C ATOM 883 OH TYR A 54 -21.220 -8.758 -2.134 1.00 0.00 O ATOM 0 H TYR A 54 -17.338 -3.143 0.614 1.00 0.00 H new ATOM 0 HA TYR A 54 -20.003 -4.108 1.471 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -17.310 -5.397 1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -18.327 -5.952 2.461 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -21.014 -5.993 1.426 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -17.390 -6.913 -0.620 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -22.261 -7.418 -0.139 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -18.636 -8.335 -2.188 1.00 0.00 H new ATOM 0 HH TYR A 54 -20.601 -9.146 -2.787 1.00 0.00 H new ATOM 893 N GLY A 55 -17.510 -2.897 3.214 1.00 0.00 N ATOM 894 CA GLY A 55 -17.160 -2.355 4.514 1.00 0.00 C ATOM 895 C GLY A 55 -15.715 -2.633 4.888 1.00 0.00 C ATOM 896 O GLY A 55 -14.848 -2.696 4.017 1.00 0.00 O ATOM 0 H GLY A 55 -16.814 -2.744 2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.332 -1.279 4.514 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.817 -2.782 5.271 1.00 0.00 H new ATOM 900 N PRO A 56 -15.423 -2.806 6.190 1.00 0.00 N ATOM 901 CA PRO A 56 -14.062 -3.079 6.665 1.00 0.00 C ATOM 902 C PRO A 56 -13.566 -4.466 6.260 1.00 0.00 C ATOM 903 O PRO A 56 -12.387 -4.783 6.420 1.00 0.00 O ATOM 904 CB PRO A 56 -14.188 -2.980 8.186 1.00 0.00 C ATOM 905 CG PRO A 56 -15.619 -3.284 8.469 1.00 0.00 C ATOM 906 CD PRO A 56 -16.395 -2.748 7.299 1.00 0.00 C ATOM 0 HA PRO A 56 -13.338 -2.385 6.237 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.527 -3.689 8.685 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.917 -1.986 8.542 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.775 -4.357 8.582 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.941 -2.815 9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.278 -3.352 7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.740 -1.730 7.478 1.00 0.00 H new ATOM 914 N GLU A 57 -14.469 -5.292 5.736 1.00 0.00 N ATOM 915 CA GLU A 57 -14.118 -6.643 5.312 1.00 0.00 C ATOM 916 C GLU A 57 -12.957 -6.621 4.321 1.00 0.00 C ATOM 917 O GLU A 57 -12.170 -7.566 4.252 1.00 0.00 O ATOM 918 CB GLU A 57 -15.329 -7.332 4.681 1.00 0.00 C ATOM 919 CG GLU A 57 -15.328 -8.842 4.853 1.00 0.00 C ATOM 920 CD GLU A 57 -15.153 -9.580 3.540 1.00 0.00 C ATOM 921 OE1 GLU A 57 -13.994 -9.765 3.113 1.00 0.00 O ATOM 922 OE2 GLU A 57 -16.174 -9.972 2.938 1.00 0.00 O ATOM 0 H GLU A 57 -15.449 -5.048 5.595 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.807 -7.203 6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.239 -6.925 5.122 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.357 -7.096 3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.526 -9.126 5.534 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.264 -9.151 5.317 1.00 0.00 H new ATOM 929 N ALA A 58 -12.857 -5.539 3.556 1.00 0.00 N ATOM 930 CA ALA A 58 -11.793 -5.398 2.569 1.00 0.00 C ATOM 931 C ALA A 58 -10.441 -5.196 3.246 1.00 0.00 C ATOM 932 O ALA A 58 -9.406 -5.605 2.721 1.00 0.00 O ATOM 933 CB ALA A 58 -12.094 -4.238 1.632 1.00 0.00 C ATOM 0 H ALA A 58 -13.499 -4.748 3.601 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.745 -6.318 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.292 -4.144 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.036 -4.422 1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.170 -3.316 2.208 1.00 0.00 H new ATOM 939 N SER A 59 -10.459 -4.564 4.415 1.00 0.00 N ATOM 940 CA SER A 59 -9.234 -4.308 5.165 1.00 0.00 C ATOM 941 C SER A 59 -8.677 -5.597 5.762 1.00 0.00 C ATOM 942 O SER A 59 -7.480 -5.699 6.036 1.00 0.00 O ATOM 943 CB SER A 59 -9.495 -3.290 6.276 1.00 0.00 C ATOM 944 OG SER A 59 -8.388 -3.197 7.156 1.00 0.00 O ATOM 0 H SER A 59 -11.308 -4.220 4.864 1.00 0.00 H new ATOM 0 HA SER A 59 -8.495 -3.902 4.474 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.697 -2.313 5.837 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.385 -3.579 6.836 1.00 0.00 H new ATOM 0 HG SER A 59 -7.638 -2.767 6.694 1.00 0.00 H new ATOM 950 N ALA A 60 -9.550 -6.580 5.961 1.00 0.00 N ATOM 951 CA ALA A 60 -9.143 -7.864 6.527 1.00 0.00 C ATOM 952 C ALA A 60 -8.016 -8.497 5.716 1.00 0.00 C ATOM 953 O ALA A 60 -7.262 -9.326 6.228 1.00 0.00 O ATOM 954 CB ALA A 60 -10.335 -8.805 6.602 1.00 0.00 C ATOM 0 H ALA A 60 -10.543 -6.513 5.739 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.768 -7.685 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.020 -9.759 7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.107 -8.365 7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.734 -8.967 5.601 1.00 0.00 H new ATOM 960 N PHE A 61 -7.906 -8.107 4.449 1.00 0.00 N ATOM 961 CA PHE A 61 -6.869 -8.641 3.569 1.00 0.00 C ATOM 962 C PHE A 61 -5.486 -8.485 4.193 1.00 0.00 C ATOM 963 O PHE A 61 -4.725 -9.449 4.288 1.00 0.00 O ATOM 964 CB PHE A 61 -6.912 -7.937 2.212 1.00 0.00 C ATOM 965 CG PHE A 61 -6.505 -8.816 1.065 1.00 0.00 C ATOM 966 CD1 PHE A 61 -7.269 -9.917 0.714 1.00 0.00 C ATOM 967 CD2 PHE A 61 -5.358 -8.541 0.337 1.00 0.00 C ATOM 968 CE1 PHE A 61 -6.898 -10.728 -0.341 1.00 0.00 C ATOM 969 CE2 PHE A 61 -4.982 -9.349 -0.719 1.00 0.00 C ATOM 970 CZ PHE A 61 -5.752 -10.444 -1.058 1.00 0.00 C ATOM 0 H PHE A 61 -8.522 -7.423 4.008 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.062 -9.704 3.427 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.922 -7.568 2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.256 -7.067 2.243 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.165 -10.144 1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.752 -7.686 0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -7.503 -11.583 -0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.086 -9.124 -1.279 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.459 -11.077 -1.882 1.00 0.00 H new ATOM 980 N THR A 62 -5.165 -7.268 4.615 1.00 0.00 N ATOM 981 CA THR A 62 -3.873 -6.986 5.230 1.00 0.00 C ATOM 982 C THR A 62 -3.685 -7.806 6.502 1.00 0.00 C ATOM 983 O THR A 62 -2.647 -8.432 6.703 1.00 0.00 O ATOM 984 CB THR A 62 -3.750 -5.495 5.548 1.00 0.00 C ATOM 985 OG1 THR A 62 -4.998 -4.964 5.957 1.00 0.00 O ATOM 986 CG2 THR A 62 -3.264 -4.671 4.374 1.00 0.00 C ATOM 0 H THR A 62 -5.782 -6.459 4.543 1.00 0.00 H new ATOM 0 HA THR A 62 -3.093 -7.265 4.521 1.00 0.00 H new ATOM 0 HB THR A 62 -3.012 -5.431 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.610 -5.698 6.175 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.199 -3.623 4.667 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.280 -5.023 4.065 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.963 -4.773 3.544 1.00 0.00 H new ATOM 994 N LYS A 63 -4.700 -7.802 7.359 1.00 0.00 N ATOM 995 CA LYS A 63 -4.647 -8.545 8.614 1.00 0.00 C ATOM 996 C LYS A 63 -4.346 -10.024 8.373 1.00 0.00 C ATOM 997 O LYS A 63 -3.912 -10.731 9.282 1.00 0.00 O ATOM 998 CB LYS A 63 -5.967 -8.399 9.371 1.00 0.00 C ATOM 999 CG LYS A 63 -6.223 -6.988 9.881 1.00 0.00 C ATOM 1000 CD LYS A 63 -6.457 -6.963 11.385 1.00 0.00 C ATOM 1001 CE LYS A 63 -7.848 -6.452 11.725 1.00 0.00 C ATOM 1002 NZ LYS A 63 -8.301 -6.923 13.064 1.00 0.00 N ATOM 0 H LYS A 63 -5.570 -7.292 7.208 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.839 -8.128 9.215 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.787 -8.694 8.716 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.970 -9.088 10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.372 -6.353 9.635 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.091 -6.569 9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.328 -7.966 11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.709 -6.328 11.860 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.850 -5.362 11.704 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.554 -6.787 10.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.253 -6.553 13.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.324 -7.963 13.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.642 -6.582 13.793 1.00 0.00 H new ATOM 1016 N LYS A 64 -4.585 -10.490 7.150 1.00 0.00 N ATOM 1017 CA LYS A 64 -4.341 -11.886 6.804 1.00 0.00 C ATOM 1018 C LYS A 64 -2.885 -12.114 6.405 1.00 0.00 C ATOM 1019 O LYS A 64 -2.180 -12.909 7.026 1.00 0.00 O ATOM 1020 CB LYS A 64 -5.267 -12.316 5.665 1.00 0.00 C ATOM 1021 CG LYS A 64 -5.840 -13.713 5.843 1.00 0.00 C ATOM 1022 CD LYS A 64 -7.201 -13.676 6.518 1.00 0.00 C ATOM 1023 CE LYS A 64 -7.905 -15.021 6.431 1.00 0.00 C ATOM 1024 NZ LYS A 64 -8.506 -15.418 7.734 1.00 0.00 N ATOM 0 H LYS A 64 -4.947 -9.922 6.384 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.549 -12.491 7.687 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.088 -11.603 5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.717 -12.275 4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.928 -14.198 4.871 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.154 -14.315 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.082 -13.394 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.819 -12.910 6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.685 -14.974 5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.194 -15.783 6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.976 -16.340 7.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.759 -15.488 8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.203 -14.704 8.027 1.00 0.00 H new ATOM 1038 N MET A 65 -2.443 -11.420 5.361 1.00 0.00 N ATOM 1039 CA MET A 65 -1.072 -11.558 4.876 1.00 0.00 C ATOM 1040 C MET A 65 -0.138 -10.564 5.562 1.00 0.00 C ATOM 1041 O MET A 65 0.924 -10.935 6.056 1.00 0.00 O ATOM 1042 CB MET A 65 -1.027 -11.358 3.361 1.00 0.00 C ATOM 1043 CG MET A 65 -1.727 -12.460 2.582 1.00 0.00 C ATOM 1044 SD MET A 65 -2.436 -11.871 1.032 1.00 0.00 S ATOM 1045 CE MET A 65 -3.638 -13.156 0.698 1.00 0.00 C ATOM 0 H MET A 65 -3.012 -10.757 4.835 1.00 0.00 H new ATOM 0 HA MET A 65 -0.730 -12.565 5.117 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.488 -10.401 3.115 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.013 -11.302 3.041 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.016 -13.259 2.372 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.517 -12.890 3.198 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.160 -12.933 -0.232 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.129 -14.116 0.607 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.357 -13.203 1.516 1.00 0.00 H new ATOM 1055 N TRP A 66 -0.534 -9.298 5.582 1.00 0.00 N ATOM 1056 CA TRP A 66 0.274 -8.253 6.202 1.00 0.00 C ATOM 1057 C TRP A 66 0.610 -8.598 7.652 1.00 0.00 C ATOM 1058 O TRP A 66 1.686 -8.261 8.147 1.00 0.00 O ATOM 1059 CB TRP A 66 -0.464 -6.912 6.143 1.00 0.00 C ATOM 1060 CG TRP A 66 0.446 -5.720 6.181 1.00 0.00 C ATOM 1061 CD1 TRP A 66 0.956 -5.113 7.293 1.00 0.00 C ATOM 1062 CD2 TRP A 66 0.945 -4.985 5.058 1.00 0.00 C ATOM 1063 NE1 TRP A 66 1.742 -4.046 6.929 1.00 0.00 N ATOM 1064 CE2 TRP A 66 1.752 -3.947 5.564 1.00 0.00 C ATOM 1065 CE3 TRP A 66 0.791 -5.102 3.673 1.00 0.00 C ATOM 1066 CZ2 TRP A 66 2.401 -3.035 4.735 1.00 0.00 C ATOM 1067 CZ3 TRP A 66 1.435 -4.196 2.852 1.00 0.00 C ATOM 1068 CH2 TRP A 66 2.231 -3.175 3.385 1.00 0.00 C ATOM 0 H TRP A 66 -1.410 -8.969 5.176 1.00 0.00 H new ATOM 0 HA TRP A 66 1.208 -8.177 5.646 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -1.059 -6.875 5.230 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -1.160 -6.853 6.980 1.00 0.00 H new ATOM 0 HD1 TRP A 66 0.769 -5.426 8.310 1.00 0.00 H new ATOM 0 HE1 TRP A 66 2.237 -3.428 7.572 1.00 0.00 H new ATOM 0 HE3 TRP A 66 0.180 -5.887 3.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 3.016 -2.246 5.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 1.322 -4.277 1.781 1.00 0.00 H new ATOM 0 HH2 TRP A 66 2.721 -2.483 2.716 1.00 0.00 H new ATOM 1079 N GLU A 67 -0.323 -9.256 8.335 1.00 0.00 N ATOM 1080 CA GLU A 67 -0.130 -9.626 9.734 1.00 0.00 C ATOM 1081 C GLU A 67 0.417 -11.048 9.893 1.00 0.00 C ATOM 1082 O GLU A 67 1.401 -11.265 10.600 1.00 0.00 O ATOM 1083 CB GLU A 67 -1.447 -9.488 10.500 1.00 0.00 C ATOM 1084 CG GLU A 67 -1.451 -8.339 11.498 1.00 0.00 C ATOM 1085 CD GLU A 67 -2.049 -8.729 12.835 1.00 0.00 C ATOM 1086 OE1 GLU A 67 -3.190 -9.239 12.849 1.00 0.00 O ATOM 1087 OE2 GLU A 67 -1.378 -8.524 13.868 1.00 0.00 O ATOM 0 H GLU A 67 -1.220 -9.544 7.943 1.00 0.00 H new ATOM 0 HA GLU A 67 0.613 -8.943 10.147 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.259 -9.343 9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.650 -10.419 11.029 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.429 -7.991 11.649 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.014 -7.504 11.082 1.00 0.00 H new ATOM 1094 N ASN A 68 -0.243 -12.017 9.262 1.00 0.00 N ATOM 1095 CA ASN A 68 0.167 -13.417 9.371 1.00 0.00 C ATOM 1096 C ASN A 68 1.346 -13.752 8.460 1.00 0.00 C ATOM 1097 O ASN A 68 2.131 -14.652 8.761 1.00 0.00 O ATOM 1098 CB ASN A 68 -1.013 -14.335 9.047 1.00 0.00 C ATOM 1099 CG ASN A 68 -1.082 -15.536 9.970 1.00 0.00 C ATOM 1100 OD1 ASN A 68 -0.742 -16.653 9.578 1.00 0.00 O ATOM 1101 ND2 ASN A 68 -1.525 -15.313 11.200 1.00 0.00 N ATOM 0 H ASN A 68 -1.060 -11.861 8.672 1.00 0.00 H new ATOM 0 HA ASN A 68 0.493 -13.577 10.399 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.941 -13.769 9.122 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.931 -14.677 8.015 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.595 -16.084 11.864 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -1.796 -14.371 11.482 1.00 0.00 H new ATOM 1108 N ALA A 69 1.470 -13.038 7.349 1.00 0.00 N ATOM 1109 CA ALA A 69 2.560 -13.283 6.410 1.00 0.00 C ATOM 1110 C ALA A 69 3.602 -12.169 6.470 1.00 0.00 C ATOM 1111 O ALA A 69 3.285 -11.025 6.798 1.00 0.00 O ATOM 1112 CB ALA A 69 2.021 -13.443 4.996 1.00 0.00 C ATOM 0 H ALA A 69 0.834 -12.289 7.076 1.00 0.00 H new ATOM 0 HA ALA A 69 3.051 -14.212 6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.848 -13.625 4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.330 -14.285 4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.498 -12.533 4.701 1.00 0.00 H new ATOM 1118 N LYS A 70 4.849 -12.514 6.163 1.00 0.00 N ATOM 1119 CA LYS A 70 5.943 -11.548 6.198 1.00 0.00 C ATOM 1120 C LYS A 70 6.114 -10.845 4.854 1.00 0.00 C ATOM 1121 O LYS A 70 6.829 -11.327 3.976 1.00 0.00 O ATOM 1122 CB LYS A 70 7.248 -12.242 6.587 1.00 0.00 C ATOM 1123 CG LYS A 70 8.234 -11.332 7.300 1.00 0.00 C ATOM 1124 CD LYS A 70 9.362 -12.125 7.943 1.00 0.00 C ATOM 1125 CE LYS A 70 10.695 -11.403 7.822 1.00 0.00 C ATOM 1126 NZ LYS A 70 11.764 -12.297 7.297 1.00 0.00 N ATOM 0 H LYS A 70 5.127 -13.456 5.887 1.00 0.00 H new ATOM 0 HA LYS A 70 5.694 -10.795 6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.020 -13.091 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.719 -12.641 5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.650 -10.617 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.712 -10.756 8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.134 -12.295 8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.434 -13.105 7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.584 -10.543 7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.990 -11.019 8.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.657 -11.768 7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.888 -13.105 7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.495 -12.644 6.354 1.00 0.00 H new ATOM 1140 N LYS A 71 5.466 -9.693 4.709 1.00 0.00 N ATOM 1141 CA LYS A 71 5.557 -8.907 3.483 1.00 0.00 C ATOM 1142 C LYS A 71 5.009 -7.502 3.706 1.00 0.00 C ATOM 1143 O LYS A 71 3.799 -7.284 3.669 1.00 0.00 O ATOM 1144 CB LYS A 71 4.787 -9.589 2.354 1.00 0.00 C ATOM 1145 CG LYS A 71 3.325 -9.842 2.678 1.00 0.00 C ATOM 1146 CD LYS A 71 3.050 -11.317 2.914 1.00 0.00 C ATOM 1147 CE LYS A 71 2.600 -12.012 1.641 1.00 0.00 C ATOM 1148 NZ LYS A 71 1.922 -13.308 1.922 1.00 0.00 N ATOM 0 H LYS A 71 4.870 -9.282 5.428 1.00 0.00 H new ATOM 0 HA LYS A 71 6.608 -8.835 3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.850 -8.971 1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.268 -10.539 2.120 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.045 -9.273 3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 71 2.703 -9.482 1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.951 -11.799 3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.282 -11.427 3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.921 -11.359 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.463 -12.186 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.571 -13.716 1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.598 -13.965 2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.123 -13.149 2.568 1.00 0.00 H new ATOM 1162 N ILE A 72 5.902 -6.549 3.944 1.00 0.00 N ATOM 1163 CA ILE A 72 5.485 -5.174 4.178 1.00 0.00 C ATOM 1164 C ILE A 72 6.414 -4.177 3.498 1.00 0.00 C ATOM 1165 O ILE A 72 7.631 -4.229 3.666 1.00 0.00 O ATOM 1166 CB ILE A 72 5.418 -4.868 5.682 1.00 0.00 C ATOM 1167 CG1 ILE A 72 6.719 -5.279 6.372 1.00 0.00 C ATOM 1168 CG2 ILE A 72 4.232 -5.589 6.300 1.00 0.00 C ATOM 1169 CD1 ILE A 72 7.054 -4.436 7.582 1.00 0.00 C ATOM 0 H ILE A 72 6.910 -6.701 3.980 1.00 0.00 H new ATOM 0 HA ILE A 72 4.491 -5.068 3.744 1.00 0.00 H new ATOM 0 HB ILE A 72 5.288 -3.795 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.645 -6.323 6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.538 -5.213 5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.188 -5.369 7.367 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.312 -5.252 5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.344 -6.664 6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.989 -4.784 8.020 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.160 -3.394 7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.254 -4.522 8.318 1.00 0.00 H new ATOM 1181 N GLU A 73 5.824 -3.263 2.737 1.00 0.00 N ATOM 1182 CA GLU A 73 6.590 -2.241 2.033 1.00 0.00 C ATOM 1183 C GLU A 73 5.692 -1.085 1.599 1.00 0.00 C ATOM 1184 O GLU A 73 4.467 -1.166 1.698 1.00 0.00 O ATOM 1185 CB GLU A 73 7.291 -2.844 0.814 1.00 0.00 C ATOM 1186 CG GLU A 73 8.807 -2.793 0.903 1.00 0.00 C ATOM 1187 CD GLU A 73 9.467 -4.011 0.285 1.00 0.00 C ATOM 1188 OE1 GLU A 73 9.494 -5.071 0.946 1.00 0.00 O ATOM 1189 OE2 GLU A 73 9.957 -3.905 -0.860 1.00 0.00 O ATOM 0 H GLU A 73 4.816 -3.208 2.591 1.00 0.00 H new ATOM 0 HA GLU A 73 7.342 -1.853 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.976 -3.881 0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.969 -2.312 -0.081 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.167 -1.895 0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.104 -2.714 1.949 1.00 0.00 H new ATOM 1196 N VAL A 74 6.309 -0.012 1.113 1.00 0.00 N ATOM 1197 CA VAL A 74 5.569 1.158 0.657 1.00 0.00 C ATOM 1198 C VAL A 74 5.675 1.310 -0.857 1.00 0.00 C ATOM 1199 O VAL A 74 6.645 0.859 -1.467 1.00 0.00 O ATOM 1200 CB VAL A 74 6.072 2.453 1.334 1.00 0.00 C ATOM 1201 CG1 VAL A 74 5.378 2.663 2.672 1.00 0.00 C ATOM 1202 CG2 VAL A 74 7.584 2.422 1.508 1.00 0.00 C ATOM 0 H VAL A 74 7.322 0.070 1.025 1.00 0.00 H new ATOM 0 HA VAL A 74 4.527 1.002 0.936 1.00 0.00 H new ATOM 0 HB VAL A 74 5.825 3.294 0.686 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.746 3.580 3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.302 2.742 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.588 1.818 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.914 3.344 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.861 1.571 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.061 2.329 0.532 1.00 0.00 H new ATOM 1212 N GLU A 75 4.671 1.935 -1.463 1.00 0.00 N ATOM 1213 CA GLU A 75 4.658 2.129 -2.910 1.00 0.00 C ATOM 1214 C GLU A 75 5.250 3.481 -3.299 1.00 0.00 C ATOM 1215 O GLU A 75 6.405 3.560 -3.716 1.00 0.00 O ATOM 1216 CB GLU A 75 3.231 2.001 -3.450 1.00 0.00 C ATOM 1217 CG GLU A 75 3.137 2.143 -4.961 1.00 0.00 C ATOM 1218 CD GLU A 75 1.957 1.390 -5.545 1.00 0.00 C ATOM 1219 OE1 GLU A 75 0.901 1.337 -4.880 1.00 0.00 O ATOM 1220 OE2 GLU A 75 2.090 0.853 -6.664 1.00 0.00 O ATOM 0 H GLU A 75 3.858 2.315 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 75 5.279 1.352 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.827 1.032 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.605 2.761 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.053 3.199 -5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.058 1.776 -5.415 1.00 0.00 H new ATOM 1227 N PHE A 76 4.456 4.541 -3.171 1.00 0.00 N ATOM 1228 CA PHE A 76 4.913 5.882 -3.522 1.00 0.00 C ATOM 1229 C PHE A 76 4.636 6.874 -2.398 1.00 0.00 C ATOM 1230 O PHE A 76 3.593 6.814 -1.747 1.00 0.00 O ATOM 1231 CB PHE A 76 4.233 6.352 -4.813 1.00 0.00 C ATOM 1232 CG PHE A 76 2.775 6.678 -4.647 1.00 0.00 C ATOM 1233 CD1 PHE A 76 1.856 5.681 -4.361 1.00 0.00 C ATOM 1234 CD2 PHE A 76 2.325 7.983 -4.776 1.00 0.00 C ATOM 1235 CE1 PHE A 76 0.514 5.978 -4.208 1.00 0.00 C ATOM 1236 CE2 PHE A 76 0.986 8.286 -4.625 1.00 0.00 C ATOM 1237 CZ PHE A 76 0.080 7.282 -4.339 1.00 0.00 C ATOM 0 H PHE A 76 3.496 4.497 -2.828 1.00 0.00 H new ATOM 0 HA PHE A 76 5.991 5.838 -3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.753 7.235 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.338 5.576 -5.571 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.192 4.660 -4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.029 8.771 -4.997 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.193 5.192 -3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.647 9.306 -4.730 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.967 7.518 -4.218 1.00 0.00 H new ATOM 1247 N ASP A 77 5.576 7.788 -2.181 1.00 0.00 N ATOM 1248 CA ASP A 77 5.433 8.799 -1.139 1.00 0.00 C ATOM 1249 C ASP A 77 5.074 10.153 -1.745 1.00 0.00 C ATOM 1250 O ASP A 77 5.895 10.782 -2.413 1.00 0.00 O ATOM 1251 CB ASP A 77 6.727 8.917 -0.330 1.00 0.00 C ATOM 1252 CG ASP A 77 6.471 9.286 1.118 1.00 0.00 C ATOM 1253 OD1 ASP A 77 5.797 10.309 1.360 1.00 0.00 O ATOM 1254 OD2 ASP A 77 6.946 8.553 2.010 1.00 0.00 O ATOM 0 H ASP A 77 6.445 7.850 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 77 4.626 8.490 -0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.266 7.970 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.370 9.670 -0.786 1.00 0.00 H new ATOM 1259 N LYS A 78 3.842 10.596 -1.508 1.00 0.00 N ATOM 1260 CA LYS A 78 3.376 11.874 -2.033 1.00 0.00 C ATOM 1261 C LYS A 78 4.254 13.019 -1.537 1.00 0.00 C ATOM 1262 O LYS A 78 4.493 13.988 -2.259 1.00 0.00 O ATOM 1263 CB LYS A 78 1.922 12.117 -1.623 1.00 0.00 C ATOM 1264 CG LYS A 78 1.180 13.066 -2.552 1.00 0.00 C ATOM 1265 CD LYS A 78 -0.052 12.411 -3.157 1.00 0.00 C ATOM 1266 CE LYS A 78 -0.531 13.161 -4.391 1.00 0.00 C ATOM 1267 NZ LYS A 78 -1.382 12.306 -5.265 1.00 0.00 N ATOM 0 H LYS A 78 3.150 10.089 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 78 3.439 11.837 -3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.396 11.163 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.901 12.521 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.884 13.958 -2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.848 13.391 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.176 11.379 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.850 12.380 -2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.095 14.042 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.330 13.516 -4.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.688 12.854 -6.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.836 11.478 -5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.217 11.988 -4.733 1.00 0.00 H new ATOM 1281 N GLY A 79 4.731 12.903 -0.303 1.00 0.00 N ATOM 1282 CA GLY A 79 5.577 13.936 0.265 1.00 0.00 C ATOM 1283 C GLY A 79 4.853 14.771 1.302 1.00 0.00 C ATOM 1284 O GLY A 79 5.181 15.941 1.506 1.00 0.00 O ATOM 0 H GLY A 79 4.547 12.112 0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.453 13.474 0.721 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.938 14.585 -0.533 1.00 0.00 H new ATOM 1288 N GLN A 80 3.866 14.172 1.958 1.00 0.00 N ATOM 1289 CA GLN A 80 3.092 14.869 2.980 1.00 0.00 C ATOM 1290 C GLN A 80 3.461 14.371 4.374 1.00 0.00 C ATOM 1291 O GLN A 80 4.041 13.296 4.526 1.00 0.00 O ATOM 1292 CB GLN A 80 1.596 14.676 2.735 1.00 0.00 C ATOM 1293 CG GLN A 80 0.765 15.910 3.050 1.00 0.00 C ATOM 1294 CD GLN A 80 0.724 16.894 1.897 1.00 0.00 C ATOM 1295 OE1 GLN A 80 1.166 16.589 0.789 1.00 0.00 O ATOM 1296 NE2 GLN A 80 0.190 18.083 2.154 1.00 0.00 N ATOM 0 H GLN A 80 3.582 13.205 1.801 1.00 0.00 H new ATOM 0 HA GLN A 80 3.328 15.931 2.919 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.440 14.399 1.692 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.241 13.844 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.251 15.605 3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 80 1.175 16.405 3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.164 18.292 3.087 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.134 18.787 1.418 1.00 0.00 H new ATOM 1305 N ARG A 81 3.123 15.160 5.388 1.00 0.00 N ATOM 1306 CA ARG A 81 3.420 14.800 6.769 1.00 0.00 C ATOM 1307 C ARG A 81 2.160 14.859 7.630 1.00 0.00 C ATOM 1308 O ARG A 81 2.176 15.394 8.738 1.00 0.00 O ATOM 1309 CB ARG A 81 4.487 15.733 7.342 1.00 0.00 C ATOM 1310 CG ARG A 81 4.107 17.204 7.285 1.00 0.00 C ATOM 1311 CD ARG A 81 3.714 17.736 8.656 1.00 0.00 C ATOM 1312 NE ARG A 81 2.276 17.974 8.760 1.00 0.00 N ATOM 1313 CZ ARG A 81 1.626 18.091 9.916 1.00 0.00 C ATOM 1314 NH1 ARG A 81 2.283 17.996 11.067 1.00 0.00 N ATOM 1315 NH2 ARG A 81 0.318 18.304 9.922 1.00 0.00 N ATOM 0 H ARG A 81 2.643 16.053 5.279 1.00 0.00 H new ATOM 0 HA ARG A 81 3.798 13.778 6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.680 15.457 8.379 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.418 15.586 6.794 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.946 17.782 6.897 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.278 17.339 6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.020 17.024 9.422 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.250 18.665 8.852 1.00 0.00 H new ATOM 0 HE ARG A 81 1.739 18.055 7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.290 17.833 11.068 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.781 18.086 11.950 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.191 18.378 9.041 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.180 18.394 10.808 1.00 0.00 H new ATOM 1329 N THR A 82 1.069 14.305 7.111 1.00 0.00 N ATOM 1330 CA THR A 82 -0.198 14.293 7.830 1.00 0.00 C ATOM 1331 C THR A 82 -0.387 12.978 8.580 1.00 0.00 C ATOM 1332 O THR A 82 -0.292 11.900 7.995 1.00 0.00 O ATOM 1333 CB THR A 82 -1.361 14.515 6.862 1.00 0.00 C ATOM 1334 OG1 THR A 82 -1.124 13.855 5.630 1.00 0.00 O ATOM 1335 CG2 THR A 82 -1.618 15.976 6.560 1.00 0.00 C ATOM 0 H THR A 82 1.038 13.858 6.194 1.00 0.00 H new ATOM 0 HA THR A 82 -0.181 15.105 8.557 1.00 0.00 H new ATOM 0 HB THR A 82 -2.237 14.106 7.365 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.880 14.008 5.026 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.455 16.063 5.868 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.856 16.502 7.484 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.728 16.417 6.110 1.00 0.00 H new ATOM 1343 N ASP A 83 -0.654 13.077 9.879 1.00 0.00 N ATOM 1344 CA ASP A 83 -0.855 11.894 10.708 1.00 0.00 C ATOM 1345 C ASP A 83 -2.286 11.836 11.239 1.00 0.00 C ATOM 1346 O ASP A 83 -2.964 10.818 11.112 1.00 0.00 O ATOM 1347 CB ASP A 83 0.134 11.892 11.876 1.00 0.00 C ATOM 1348 CG ASP A 83 1.568 11.718 11.417 1.00 0.00 C ATOM 1349 OD1 ASP A 83 1.946 12.341 10.404 1.00 0.00 O ATOM 1350 OD2 ASP A 83 2.314 10.960 12.073 1.00 0.00 O ATOM 0 H ASP A 83 -0.736 13.962 10.379 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.681 11.014 10.089 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.043 12.828 12.428 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -0.124 11.089 12.566 1.00 0.00 H new ATOM 1355 N LYS A 84 -2.736 12.937 11.832 1.00 0.00 N ATOM 1356 CA LYS A 84 -4.084 13.013 12.383 1.00 0.00 C ATOM 1357 C LYS A 84 -5.000 13.841 11.485 1.00 0.00 C ATOM 1358 O LYS A 84 -6.223 13.711 11.545 1.00 0.00 O ATOM 1359 CB LYS A 84 -4.050 13.617 13.789 1.00 0.00 C ATOM 1360 CG LYS A 84 -3.901 12.582 14.893 1.00 0.00 C ATOM 1361 CD LYS A 84 -2.573 12.727 15.619 1.00 0.00 C ATOM 1362 CE LYS A 84 -2.655 12.194 17.042 1.00 0.00 C ATOM 1363 NZ LYS A 84 -1.430 11.438 17.423 1.00 0.00 N ATOM 0 H LYS A 84 -2.187 13.789 11.943 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.481 11.999 12.437 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.223 14.324 13.852 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.967 14.183 13.954 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.719 12.688 15.605 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.977 11.581 14.467 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.798 12.190 15.072 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.280 13.777 15.639 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.799 13.025 17.733 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.526 11.546 17.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.525 11.092 18.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.306 10.630 16.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.602 12.063 17.357 1.00 0.00 H new ATOM 1377 N TYR A 85 -4.403 14.695 10.659 1.00 0.00 N ATOM 1378 CA TYR A 85 -5.169 15.545 9.753 1.00 0.00 C ATOM 1379 C TYR A 85 -6.095 14.715 8.866 1.00 0.00 C ATOM 1380 O TYR A 85 -7.164 15.174 8.468 1.00 0.00 O ATOM 1381 CB TYR A 85 -4.225 16.380 8.885 1.00 0.00 C ATOM 1382 CG TYR A 85 -4.653 17.824 8.744 1.00 0.00 C ATOM 1383 CD1 TYR A 85 -5.902 18.152 8.232 1.00 0.00 C ATOM 1384 CD2 TYR A 85 -3.806 18.859 9.122 1.00 0.00 C ATOM 1385 CE1 TYR A 85 -6.295 19.471 8.101 1.00 0.00 C ATOM 1386 CE2 TYR A 85 -4.191 20.179 8.994 1.00 0.00 C ATOM 1387 CZ TYR A 85 -5.437 20.480 8.485 1.00 0.00 C ATOM 1388 OH TYR A 85 -5.825 21.794 8.356 1.00 0.00 O ATOM 0 H TYR A 85 -3.392 14.817 10.598 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.784 16.211 10.358 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -3.224 16.346 9.315 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.162 15.930 7.894 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -6.577 17.364 7.931 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.830 18.627 9.523 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.269 19.710 7.700 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.520 20.971 9.291 1.00 0.00 H new ATOM 0 HH TYR A 85 -5.106 22.380 8.672 1.00 0.00 H new ATOM 1398 N GLY A 86 -5.675 13.491 8.560 1.00 0.00 N ATOM 1399 CA GLY A 86 -6.481 12.623 7.721 1.00 0.00 C ATOM 1400 C GLY A 86 -5.720 12.110 6.515 1.00 0.00 C ATOM 1401 O GLY A 86 -6.191 12.219 5.382 1.00 0.00 O ATOM 0 H GLY A 86 -4.794 13.086 8.877 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.833 11.777 8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.364 13.166 7.385 1.00 0.00 H new ATOM 1405 N ARG A 87 -4.538 11.549 6.754 1.00 0.00 N ATOM 1406 CA ARG A 87 -3.713 11.020 5.674 1.00 0.00 C ATOM 1407 C ARG A 87 -4.457 9.939 4.899 1.00 0.00 C ATOM 1408 O ARG A 87 -4.738 8.863 5.427 1.00 0.00 O ATOM 1409 CB ARG A 87 -2.402 10.455 6.228 1.00 0.00 C ATOM 1410 CG ARG A 87 -1.187 10.801 5.382 1.00 0.00 C ATOM 1411 CD ARG A 87 -0.202 9.646 5.323 1.00 0.00 C ATOM 1412 NE ARG A 87 0.911 9.921 4.416 1.00 0.00 N ATOM 1413 CZ ARG A 87 1.886 10.788 4.681 1.00 0.00 C ATOM 1414 NH1 ARG A 87 1.890 11.464 5.823 1.00 0.00 N ATOM 1415 NH2 ARG A 87 2.859 10.978 3.802 1.00 0.00 N ATOM 0 H ARG A 87 -4.131 11.449 7.684 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.486 11.840 4.993 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.251 10.834 7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.486 9.371 6.303 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.507 11.059 4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.693 11.681 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.185 9.448 6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.720 8.744 4.998 1.00 0.00 H new ATOM 0 HE ARG A 87 0.942 9.419 3.528 1.00 0.00 H new ATOM 0 HH11 ARG A 87 1.144 11.321 6.503 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.640 12.127 6.021 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.861 10.460 2.923 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.606 11.642 4.004 1.00 0.00 H new ATOM 1429 N GLY A 88 -4.776 10.235 3.644 1.00 0.00 N ATOM 1430 CA GLY A 88 -5.487 9.281 2.814 1.00 0.00 C ATOM 1431 C GLY A 88 -4.590 8.627 1.780 1.00 0.00 C ATOM 1432 O GLY A 88 -5.071 8.121 0.765 1.00 0.00 O ATOM 0 H GLY A 88 -4.555 11.119 3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.927 8.511 3.447 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.310 9.787 2.309 1.00 0.00 H new ATOM 1436 N LEU A 89 -3.286 8.633 2.036 1.00 0.00 N ATOM 1437 CA LEU A 89 -2.326 8.033 1.116 1.00 0.00 C ATOM 1438 C LEU A 89 -2.317 6.514 1.261 1.00 0.00 C ATOM 1439 O LEU A 89 -2.551 5.984 2.349 1.00 0.00 O ATOM 1440 CB LEU A 89 -0.924 8.590 1.370 1.00 0.00 C ATOM 1441 CG LEU A 89 -0.665 9.983 0.793 1.00 0.00 C ATOM 1442 CD1 LEU A 89 0.626 10.561 1.351 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -0.614 9.929 -0.726 1.00 0.00 C ATOM 0 H LEU A 89 -2.870 9.046 2.871 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.627 8.284 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.752 8.622 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.194 7.898 0.950 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.487 10.635 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.793 11.552 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.552 10.636 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.460 9.910 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.429 10.928 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.188 9.261 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.565 9.559 -1.109 1.00 0.00 H new ATOM 1455 N ALA A 90 -2.055 5.819 0.161 1.00 0.00 N ATOM 1456 CA ALA A 90 -2.026 4.363 0.170 1.00 0.00 C ATOM 1457 C ALA A 90 -0.599 3.832 0.092 1.00 0.00 C ATOM 1458 O ALA A 90 0.206 4.292 -0.718 1.00 0.00 O ATOM 1459 CB ALA A 90 -2.858 3.813 -0.977 1.00 0.00 C ATOM 0 H ALA A 90 -1.860 6.240 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.455 4.026 1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.828 2.724 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.890 4.149 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.454 4.171 -1.924 1.00 0.00 H new ATOM 1465 N TYR A 91 -0.295 2.853 0.939 1.00 0.00 N ATOM 1466 CA TYR A 91 1.029 2.247 0.973 1.00 0.00 C ATOM 1467 C TYR A 91 0.922 0.746 1.222 1.00 0.00 C ATOM 1468 O TYR A 91 0.916 0.299 2.369 1.00 0.00 O ATOM 1469 CB TYR A 91 1.882 2.893 2.065 1.00 0.00 C ATOM 1470 CG TYR A 91 2.199 4.350 1.811 1.00 0.00 C ATOM 1471 CD1 TYR A 91 3.329 4.717 1.094 1.00 0.00 C ATOM 1472 CD2 TYR A 91 1.372 5.356 2.292 1.00 0.00 C ATOM 1473 CE1 TYR A 91 3.627 6.048 0.864 1.00 0.00 C ATOM 1474 CE2 TYR A 91 1.662 6.688 2.065 1.00 0.00 C ATOM 1475 CZ TYR A 91 2.790 7.029 1.352 1.00 0.00 C ATOM 1476 OH TYR A 91 3.083 8.354 1.124 1.00 0.00 O ATOM 0 H TYR A 91 -0.953 2.462 1.614 1.00 0.00 H new ATOM 0 HA TYR A 91 1.506 2.412 0.007 1.00 0.00 H new ATOM 0 HB2 TYR A 91 1.362 2.805 3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.816 2.339 2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.986 3.951 0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.487 5.093 2.853 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.511 6.317 0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.007 7.458 2.445 1.00 0.00 H new ATOM 0 HH TYR A 91 3.351 8.779 1.965 1.00 0.00 H new ATOM 1486 N ILE A 92 0.828 -0.028 0.146 1.00 0.00 N ATOM 1487 CA ILE A 92 0.712 -1.478 0.261 1.00 0.00 C ATOM 1488 C ILE A 92 1.650 -2.199 -0.699 1.00 0.00 C ATOM 1489 O ILE A 92 1.518 -2.087 -1.918 1.00 0.00 O ATOM 1490 CB ILE A 92 -0.731 -1.946 -0.006 1.00 0.00 C ATOM 1491 CG1 ILE A 92 -1.722 -1.107 0.803 1.00 0.00 C ATOM 1492 CG2 ILE A 92 -0.879 -3.423 0.331 1.00 0.00 C ATOM 1493 CD1 ILE A 92 -1.558 -1.254 2.300 1.00 0.00 C ATOM 0 H ILE A 92 0.830 0.322 -0.812 1.00 0.00 H new ATOM 0 HA ILE A 92 0.992 -1.729 1.284 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.951 -1.811 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.602 -0.058 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.737 -1.392 0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.904 -3.739 0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.196 -4.007 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.643 -3.582 1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.293 -0.631 2.809 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.708 -2.296 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.555 -0.941 2.589 1.00 0.00 H new ATOM 1505 N TYR A 93 2.590 -2.952 -0.136 1.00 0.00 N ATOM 1506 CA TYR A 93 3.546 -3.712 -0.929 1.00 0.00 C ATOM 1507 C TYR A 93 3.994 -4.957 -0.169 1.00 0.00 C ATOM 1508 O TYR A 93 4.581 -4.862 0.908 1.00 0.00 O ATOM 1509 CB TYR A 93 4.757 -2.848 -1.287 1.00 0.00 C ATOM 1510 CG TYR A 93 4.854 -2.525 -2.762 1.00 0.00 C ATOM 1511 CD1 TYR A 93 4.925 -3.538 -3.710 1.00 0.00 C ATOM 1512 CD2 TYR A 93 4.875 -1.209 -3.206 1.00 0.00 C ATOM 1513 CE1 TYR A 93 5.014 -3.248 -5.060 1.00 0.00 C ATOM 1514 CE2 TYR A 93 4.962 -0.912 -4.552 1.00 0.00 C ATOM 1515 CZ TYR A 93 5.032 -1.934 -5.474 1.00 0.00 C ATOM 1516 OH TYR A 93 5.118 -1.642 -6.815 1.00 0.00 O ATOM 0 H TYR A 93 2.709 -3.051 0.872 1.00 0.00 H new ATOM 0 HA TYR A 93 3.057 -4.021 -1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.709 -1.917 -0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.666 -3.363 -0.976 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.910 -4.569 -3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.822 -0.405 -2.487 1.00 0.00 H new ATOM 0 HE1 TYR A 93 5.069 -4.047 -5.785 1.00 0.00 H new ATOM 0 HE2 TYR A 93 4.975 0.117 -4.881 1.00 0.00 H new ATOM 0 HH TYR A 93 5.118 -0.670 -6.939 1.00 0.00 H new ATOM 1526 N ALA A 94 3.701 -6.122 -0.735 1.00 0.00 N ATOM 1527 CA ALA A 94 4.058 -7.388 -0.110 1.00 0.00 C ATOM 1528 C ALA A 94 5.395 -7.916 -0.628 1.00 0.00 C ATOM 1529 O ALA A 94 5.518 -8.282 -1.796 1.00 0.00 O ATOM 1530 CB ALA A 94 2.961 -8.415 -0.346 1.00 0.00 C ATOM 0 H ALA A 94 3.216 -6.215 -1.628 1.00 0.00 H new ATOM 0 HA ALA A 94 4.164 -7.212 0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.238 -9.358 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.027 -8.055 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.831 -8.569 -1.417 1.00 0.00 H new ATOM 1536 N ASP A 95 6.392 -7.955 0.256 1.00 0.00 N ATOM 1537 CA ASP A 95 7.721 -8.446 -0.101 1.00 0.00 C ATOM 1538 C ASP A 95 8.224 -7.781 -1.376 1.00 0.00 C ATOM 1539 O ASP A 95 9.046 -8.343 -2.101 1.00 0.00 O ATOM 1540 CB ASP A 95 7.697 -9.965 -0.282 1.00 0.00 C ATOM 1541 CG ASP A 95 9.078 -10.581 -0.178 1.00 0.00 C ATOM 1542 OD1 ASP A 95 9.703 -10.457 0.896 1.00 0.00 O ATOM 1543 OD2 ASP A 95 9.533 -11.187 -1.171 1.00 0.00 O ATOM 0 H ASP A 95 6.303 -7.652 1.226 1.00 0.00 H new ATOM 0 HA ASP A 95 8.402 -8.194 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.047 -10.408 0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.267 -10.206 -1.254 1.00 0.00 H new ATOM 1548 N GLY A 96 7.723 -6.581 -1.643 1.00 0.00 N ATOM 1549 CA GLY A 96 8.127 -5.858 -2.833 1.00 0.00 C ATOM 1550 C GLY A 96 7.823 -6.628 -4.103 1.00 0.00 C ATOM 1551 O GLY A 96 8.539 -7.566 -4.455 1.00 0.00 O ATOM 0 H GLY A 96 7.044 -6.096 -1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.616 -4.896 -2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.196 -5.649 -2.784 1.00 0.00 H new ATOM 1555 N LYS A 97 6.758 -6.232 -4.790 1.00 0.00 N ATOM 1556 CA LYS A 97 6.359 -6.893 -6.025 1.00 0.00 C ATOM 1557 C LYS A 97 7.082 -6.286 -7.221 1.00 0.00 C ATOM 1558 O LYS A 97 6.695 -5.233 -7.728 1.00 0.00 O ATOM 1559 CB LYS A 97 4.844 -6.787 -6.221 1.00 0.00 C ATOM 1560 CG LYS A 97 4.047 -6.995 -4.944 1.00 0.00 C ATOM 1561 CD LYS A 97 2.594 -6.581 -5.116 1.00 0.00 C ATOM 1562 CE LYS A 97 1.668 -7.789 -5.141 1.00 0.00 C ATOM 1563 NZ LYS A 97 0.392 -7.498 -5.850 1.00 0.00 N ATOM 0 H LYS A 97 6.156 -5.457 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 97 6.634 -7.945 -5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.607 -5.805 -6.631 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.530 -7.525 -6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.095 -8.044 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.497 -6.418 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.305 -5.917 -4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.483 -6.017 -6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.172 -8.623 -5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.452 -8.102 -4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.210 -8.346 -5.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.103 -6.720 -5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.595 -7.224 -6.833 1.00 0.00 H new ATOM 1577 N MET A 98 8.136 -6.961 -7.666 1.00 0.00 N ATOM 1578 CA MET A 98 8.920 -6.495 -8.803 1.00 0.00 C ATOM 1579 C MET A 98 8.258 -6.896 -10.118 1.00 0.00 C ATOM 1580 O MET A 98 7.705 -7.988 -10.238 1.00 0.00 O ATOM 1581 CB MET A 98 10.340 -7.063 -8.741 1.00 0.00 C ATOM 1582 CG MET A 98 11.012 -6.877 -7.389 1.00 0.00 C ATOM 1583 SD MET A 98 12.611 -6.050 -7.510 1.00 0.00 S ATOM 1584 CE MET A 98 13.710 -7.455 -7.677 1.00 0.00 C ATOM 0 H MET A 98 8.467 -7.834 -7.256 1.00 0.00 H new ATOM 0 HA MET A 98 8.970 -5.407 -8.756 1.00 0.00 H new ATOM 0 HB2 MET A 98 10.308 -8.126 -8.978 1.00 0.00 H new ATOM 0 HB3 MET A 98 10.948 -6.584 -9.508 1.00 0.00 H new ATOM 0 HG2 MET A 98 10.356 -6.297 -6.739 1.00 0.00 H new ATOM 0 HG3 MET A 98 11.147 -7.851 -6.918 1.00 0.00 H new ATOM 0 HE1 MET A 98 14.738 -7.104 -7.763 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.617 -8.096 -6.800 1.00 0.00 H new ATOM 0 HE3 MET A 98 13.444 -8.021 -8.570 1.00 0.00 H new ATOM 1594 N VAL A 99 8.318 -6.002 -11.099 1.00 0.00 N ATOM 1595 CA VAL A 99 7.723 -6.262 -12.404 1.00 0.00 C ATOM 1596 C VAL A 99 8.795 -6.600 -13.438 1.00 0.00 C ATOM 1597 O VAL A 99 8.548 -7.360 -14.375 1.00 0.00 O ATOM 1598 CB VAL A 99 6.904 -5.053 -12.900 1.00 0.00 C ATOM 1599 CG1 VAL A 99 7.797 -3.832 -13.076 1.00 0.00 C ATOM 1600 CG2 VAL A 99 6.184 -5.390 -14.196 1.00 0.00 C ATOM 0 H VAL A 99 8.772 -5.092 -11.015 1.00 0.00 H new ATOM 0 HA VAL A 99 7.056 -7.116 -12.285 1.00 0.00 H new ATOM 0 HB VAL A 99 6.153 -4.815 -12.146 1.00 0.00 H new ATOM 0 HG11 VAL A 99 7.199 -2.991 -13.426 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.257 -3.577 -12.121 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.575 -4.053 -13.806 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.612 -4.525 -14.530 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.915 -5.658 -14.959 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.509 -6.229 -14.029 1.00 0.00 H new ATOM 1610 N ASN A 100 9.982 -6.030 -13.262 1.00 0.00 N ATOM 1611 CA ASN A 100 11.089 -6.272 -14.181 1.00 0.00 C ATOM 1612 C ASN A 100 12.338 -6.717 -13.427 1.00 0.00 C ATOM 1613 O ASN A 100 12.730 -7.882 -13.488 1.00 0.00 O ATOM 1614 CB ASN A 100 11.388 -5.009 -14.994 1.00 0.00 C ATOM 1615 CG ASN A 100 11.509 -5.293 -16.478 1.00 0.00 C ATOM 1616 OD1 ASN A 100 12.392 -6.034 -16.912 1.00 0.00 O ATOM 1617 ND2 ASN A 100 10.619 -4.703 -17.268 1.00 0.00 N ATOM 0 H ASN A 100 10.203 -5.398 -12.492 1.00 0.00 H new ATOM 0 HA ASN A 100 10.797 -7.072 -14.861 1.00 0.00 H new ATOM 0 HB2 ASN A 100 10.596 -4.278 -14.830 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.315 -4.560 -14.636 1.00 0.00 H new ATOM 0 HD21 ASN A 100 10.651 -4.856 -18.276 1.00 0.00 H new ATOM 0 HD22 ASN A 100 9.904 -4.096 -16.867 1.00 0.00 H new ATOM 1624 N GLU A 101 12.960 -5.782 -12.717 1.00 0.00 N ATOM 1625 CA GLU A 101 14.166 -6.079 -11.951 1.00 0.00 C ATOM 1626 C GLU A 101 14.630 -4.855 -11.169 1.00 0.00 C ATOM 1627 O GLU A 101 13.985 -3.807 -11.196 1.00 0.00 O ATOM 1628 CB GLU A 101 15.282 -6.557 -12.882 1.00 0.00 C ATOM 1629 CG GLU A 101 15.588 -5.586 -14.010 1.00 0.00 C ATOM 1630 CD GLU A 101 16.101 -6.284 -15.255 1.00 0.00 C ATOM 1631 OE1 GLU A 101 15.432 -7.228 -15.726 1.00 0.00 O ATOM 1632 OE2 GLU A 101 17.173 -5.886 -15.760 1.00 0.00 O ATOM 0 H GLU A 101 12.650 -4.812 -12.656 1.00 0.00 H new ATOM 0 HA GLU A 101 13.929 -6.872 -11.242 1.00 0.00 H new ATOM 0 HB2 GLU A 101 16.187 -6.719 -12.297 1.00 0.00 H new ATOM 0 HB3 GLU A 101 15.001 -7.520 -13.308 1.00 0.00 H new ATOM 0 HG2 GLU A 101 14.686 -5.026 -14.257 1.00 0.00 H new ATOM 0 HG3 GLU A 101 16.330 -4.863 -13.671 1.00 0.00 H new ATOM 1639 N ALA A 102 15.754 -4.994 -10.473 1.00 0.00 N ATOM 1640 CA ALA A 102 16.305 -3.901 -9.683 1.00 0.00 C ATOM 1641 C ALA A 102 17.586 -3.361 -10.308 1.00 0.00 C ATOM 1642 O ALA A 102 18.251 -4.052 -11.080 1.00 0.00 O ATOM 1643 CB ALA A 102 16.564 -4.359 -8.256 1.00 0.00 C ATOM 0 H ALA A 102 16.301 -5.854 -10.441 1.00 0.00 H new ATOM 0 HA ALA A 102 15.573 -3.094 -9.667 1.00 0.00 H new ATOM 0 HB1 ALA A 102 16.976 -3.532 -7.677 1.00 0.00 H new ATOM 0 HB2 ALA A 102 15.628 -4.688 -7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 102 17.274 -5.186 -8.263 1.00 0.00 H new ATOM 1649 N LEU A 103 17.925 -2.121 -9.973 1.00 0.00 N ATOM 1650 CA LEU A 103 19.126 -1.486 -10.501 1.00 0.00 C ATOM 1651 C LEU A 103 20.305 -1.678 -9.551 1.00 0.00 C ATOM 1652 O LEU A 103 20.193 -2.376 -8.543 1.00 0.00 O ATOM 1653 CB LEU A 103 18.881 0.005 -10.735 1.00 0.00 C ATOM 1654 CG LEU A 103 18.452 0.376 -12.156 1.00 0.00 C ATOM 1655 CD1 LEU A 103 17.783 1.741 -12.172 1.00 0.00 C ATOM 1656 CD2 LEU A 103 19.647 0.355 -13.096 1.00 0.00 C ATOM 0 H LEU A 103 17.384 -1.535 -9.337 1.00 0.00 H new ATOM 0 HA LEU A 103 19.368 -1.959 -11.453 1.00 0.00 H new ATOM 0 HB2 LEU A 103 18.113 0.345 -10.040 1.00 0.00 H new ATOM 0 HB3 LEU A 103 19.794 0.550 -10.493 1.00 0.00 H new ATOM 0 HG LEU A 103 17.730 -0.364 -12.502 1.00 0.00 H new ATOM 0 HD11 LEU A 103 17.485 1.988 -13.191 1.00 0.00 H new ATOM 0 HD12 LEU A 103 16.902 1.722 -11.530 1.00 0.00 H new ATOM 0 HD13 LEU A 103 18.482 2.493 -11.806 1.00 0.00 H new ATOM 0 HD21 LEU A 103 19.323 0.621 -14.102 1.00 0.00 H new ATOM 0 HD22 LEU A 103 20.392 1.072 -12.753 1.00 0.00 H new ATOM 0 HD23 LEU A 103 20.083 -0.644 -13.108 1.00 0.00 H new ATOM 1668 N VAL A 104 21.432 -1.054 -9.879 1.00 0.00 N ATOM 1669 CA VAL A 104 22.631 -1.156 -9.055 1.00 0.00 C ATOM 1670 C VAL A 104 22.354 -0.717 -7.620 1.00 0.00 C ATOM 1671 O VAL A 104 21.429 0.054 -7.364 1.00 0.00 O ATOM 1672 CB VAL A 104 23.779 -0.303 -9.625 1.00 0.00 C ATOM 1673 CG1 VAL A 104 24.225 -0.842 -10.976 1.00 0.00 C ATOM 1674 CG2 VAL A 104 23.357 1.155 -9.737 1.00 0.00 C ATOM 0 H VAL A 104 21.540 -0.472 -10.710 1.00 0.00 H new ATOM 0 HA VAL A 104 22.928 -2.205 -9.061 1.00 0.00 H new ATOM 0 HB VAL A 104 24.625 -0.361 -8.940 1.00 0.00 H new ATOM 0 HG11 VAL A 104 25.037 -0.226 -11.363 1.00 0.00 H new ATOM 0 HG12 VAL A 104 24.571 -1.869 -10.862 1.00 0.00 H new ATOM 0 HG13 VAL A 104 23.387 -0.817 -11.672 1.00 0.00 H new ATOM 0 HG21 VAL A 104 24.181 1.742 -10.142 1.00 0.00 H new ATOM 0 HG22 VAL A 104 22.495 1.234 -10.400 1.00 0.00 H new ATOM 0 HG23 VAL A 104 23.092 1.534 -8.750 1.00 0.00 H new ATOM 1684 N ARG A 105 23.161 -1.214 -6.689 1.00 0.00 N ATOM 1685 CA ARG A 105 23.003 -0.873 -5.280 1.00 0.00 C ATOM 1686 C ARG A 105 23.465 0.555 -5.010 1.00 0.00 C ATOM 1687 O ARG A 105 22.677 1.404 -4.593 1.00 0.00 O ATOM 1688 CB ARG A 105 23.789 -1.855 -4.406 1.00 0.00 C ATOM 1689 CG ARG A 105 22.902 -2.796 -3.604 1.00 0.00 C ATOM 1690 CD ARG A 105 22.971 -2.503 -2.112 1.00 0.00 C ATOM 1691 NE ARG A 105 21.753 -1.858 -1.625 1.00 0.00 N ATOM 1692 CZ ARG A 105 21.518 -0.551 -1.716 1.00 0.00 C ATOM 1693 NH1 ARG A 105 22.414 0.257 -2.269 1.00 0.00 N ATOM 1694 NH2 ARG A 105 20.383 -0.048 -1.249 1.00 0.00 N ATOM 0 H ARG A 105 23.931 -1.854 -6.884 1.00 0.00 H new ATOM 0 HA ARG A 105 21.944 -0.943 -5.030 1.00 0.00 H new ATOM 0 HB2 ARG A 105 24.451 -2.445 -5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 105 24.422 -1.292 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 105 21.871 -2.703 -3.945 1.00 0.00 H new ATOM 0 HG3 ARG A 105 23.207 -3.827 -3.787 1.00 0.00 H new ATOM 0 HD2 ARG A 105 23.132 -3.433 -1.567 1.00 0.00 H new ATOM 0 HD3 ARG A 105 23.828 -1.861 -1.908 1.00 0.00 H new ATOM 0 HE ARG A 105 21.041 -2.444 -1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 105 23.290 -0.122 -2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 105 22.226 1.257 -2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 105 19.691 -0.663 -0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 105 20.202 0.953 -1.318 1.00 0.00 H new ATOM 1708 N GLN A 106 24.747 0.814 -5.249 1.00 0.00 N ATOM 1709 CA GLN A 106 25.311 2.141 -5.030 1.00 0.00 C ATOM 1710 C GLN A 106 26.587 2.334 -5.842 1.00 0.00 C ATOM 1711 O GLN A 106 27.504 3.037 -5.417 1.00 0.00 O ATOM 1712 CB GLN A 106 25.597 2.355 -3.541 1.00 0.00 C ATOM 1713 CG GLN A 106 25.039 3.659 -2.997 1.00 0.00 C ATOM 1714 CD GLN A 106 26.087 4.750 -2.907 1.00 0.00 C ATOM 1715 OE1 GLN A 106 27.148 4.561 -2.314 1.00 0.00 O ATOM 1716 NE2 GLN A 106 25.793 5.903 -3.498 1.00 0.00 N ATOM 0 H GLN A 106 25.414 0.123 -5.594 1.00 0.00 H new ATOM 0 HA GLN A 106 24.581 2.879 -5.362 1.00 0.00 H new ATOM 0 HB2 GLN A 106 25.175 1.524 -2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 106 26.675 2.335 -3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 106 24.224 3.996 -3.637 1.00 0.00 H new ATOM 0 HG3 GLN A 106 24.616 3.484 -2.008 1.00 0.00 H new ATOM 0 HE21 GLN A 106 24.901 6.017 -3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 106 26.460 6.675 -3.471 1.00 0.00 H new ATOM 1725 N GLY A 107 26.641 1.705 -7.011 1.00 0.00 N ATOM 1726 CA GLY A 107 27.810 1.825 -7.862 1.00 0.00 C ATOM 1727 C GLY A 107 28.194 0.511 -8.513 1.00 0.00 C ATOM 1728 O GLY A 107 27.597 0.105 -9.511 1.00 0.00 O ATOM 0 H GLY A 107 25.897 1.115 -7.384 1.00 0.00 H new ATOM 0 HA2 GLY A 107 27.616 2.567 -8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 107 28.649 2.192 -7.271 1.00 0.00 H new ATOM 1732 N LEU A 108 29.195 -0.155 -7.947 1.00 0.00 N ATOM 1733 CA LEU A 108 29.662 -1.432 -8.480 1.00 0.00 C ATOM 1734 C LEU A 108 29.488 -2.549 -7.454 1.00 0.00 C ATOM 1735 O LEU A 108 30.460 -3.018 -6.860 1.00 0.00 O ATOM 1736 CB LEU A 108 31.131 -1.339 -8.914 1.00 0.00 C ATOM 1737 CG LEU A 108 32.019 -0.402 -8.085 1.00 0.00 C ATOM 1738 CD1 LEU A 108 31.649 1.055 -8.330 1.00 0.00 C ATOM 1739 CD2 LEU A 108 31.927 -0.739 -6.603 1.00 0.00 C ATOM 0 H LEU A 108 29.699 0.167 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 108 29.055 -1.668 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 108 31.563 -2.339 -8.882 1.00 0.00 H new ATOM 0 HB3 LEU A 108 31.162 -1.012 -9.953 1.00 0.00 H new ATOM 0 HG LEU A 108 33.051 -0.548 -8.403 1.00 0.00 H new ATOM 0 HD11 LEU A 108 32.292 1.699 -7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 108 31.781 1.291 -9.386 1.00 0.00 H new ATOM 0 HD13 LEU A 108 30.609 1.219 -8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 108 32.565 -0.062 -6.036 1.00 0.00 H new ATOM 0 HD22 LEU A 108 30.895 -0.631 -6.269 1.00 0.00 H new ATOM 0 HD23 LEU A 108 32.255 -1.766 -6.442 1.00 0.00 H new ATOM 1751 N ALA A 109 28.245 -2.973 -7.253 1.00 0.00 N ATOM 1752 CA ALA A 109 27.943 -4.034 -6.301 1.00 0.00 C ATOM 1753 C ALA A 109 28.704 -5.311 -6.641 1.00 0.00 C ATOM 1754 O ALA A 109 29.233 -5.985 -5.757 1.00 0.00 O ATOM 1755 CB ALA A 109 26.445 -4.304 -6.270 1.00 0.00 C ATOM 0 H ALA A 109 27.430 -2.597 -7.738 1.00 0.00 H new ATOM 0 HA ALA A 109 28.263 -3.703 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 109 26.233 -5.099 -5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 109 25.918 -3.398 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 109 26.110 -4.609 -7.261 1.00 0.00 H new ATOM 1761 N LYS A 110 28.756 -5.638 -7.929 1.00 0.00 N ATOM 1762 CA LYS A 110 29.454 -6.832 -8.386 1.00 0.00 C ATOM 1763 C LYS A 110 30.215 -6.559 -9.679 1.00 0.00 C ATOM 1764 O LYS A 110 29.654 -5.871 -10.559 1.00 0.00 O ATOM 1765 CB LYS A 110 28.462 -7.978 -8.597 1.00 0.00 C ATOM 1766 CG LYS A 110 27.522 -8.194 -7.422 1.00 0.00 C ATOM 1767 CD LYS A 110 27.232 -9.670 -7.203 1.00 0.00 C ATOM 1768 CE LYS A 110 26.189 -10.186 -8.181 1.00 0.00 C ATOM 1769 NZ LYS A 110 25.134 -10.985 -7.499 1.00 0.00 N ATOM 1770 OXT LYS A 110 31.363 -7.033 -9.802 1.00 0.00 O ATOM 0 H LYS A 110 28.323 -5.092 -8.674 1.00 0.00 H new ATOM 0 HA LYS A 110 30.172 -7.118 -7.618 1.00 0.00 H new ATOM 0 HB2 LYS A 110 27.872 -7.777 -9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 110 29.017 -8.898 -8.782 1.00 0.00 H new ATOM 0 HG2 LYS A 110 27.963 -7.771 -6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 110 26.588 -7.661 -7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 110 28.152 -10.243 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 110 26.883 -9.825 -6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 110 25.729 -9.344 -8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 110 26.675 -10.799 -8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 24.443 -11.318 -8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 25.569 -11.803 -7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 24.652 -10.393 -6.793 1.00 0.00 H new TER 1784 LYS A 110