USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 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 THR OG1 : rot 180:sc= 0.882 USER MOD Set 1.2: A 51 THR OG1 : rot -81:sc= 1.01 USER MOD Set 2.1: A 11 GLN : amide:sc= 0 X(o=-0.12,f=-0.11) USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= -0.117 USER MOD Set 3.1: A 22 CYS SG : rot 48:sc= 0.356 USER MOD Set 3.2: A 71 TYR OH : rot -147:sc= 0.384 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.876 K(o=0.88,f=-7.3!) USER MOD Single : A 12 MET CE :methyl 172:sc= 0 (180deg=-0.0899) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 17 MET CE :methyl -174:sc= -0.429 (180deg=-0.617) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.00878 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0.446 X(o=0.45,f=0) USER MOD Single : A 58 SER OG : rot 114:sc= 1.34 USER MOD Single : A 61 THR OG1 : rot -140:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.067 X(o=-0.067,f=-0.085) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N LEU A 7 -4.993 -5.589 -15.277 1.00 0.00 N ATOM 14 CA LEU A 7 -4.984 -4.504 -14.288 1.00 0.00 C ATOM 15 C LEU A 7 -3.565 -4.019 -13.942 1.00 0.00 C ATOM 16 O LEU A 7 -2.576 -4.537 -14.471 1.00 0.00 O ATOM 17 CB LEU A 7 -5.845 -4.928 -13.079 1.00 0.00 C ATOM 18 CG LEU A 7 -5.202 -5.838 -12.008 1.00 0.00 C ATOM 19 CD1 LEU A 7 -6.286 -6.244 -11.000 1.00 0.00 C ATOM 20 CD2 LEU A 7 -4.555 -7.112 -12.569 1.00 0.00 C ATOM 0 HA LEU A 7 -5.441 -3.612 -14.715 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.190 -4.022 -12.582 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.729 -5.438 -13.462 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.400 -5.260 -11.549 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.850 -6.887 -10.236 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.699 -5.351 -10.530 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.080 -6.782 -11.517 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.128 -7.693 -11.752 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.310 -7.708 -13.082 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.767 -6.841 -13.272 1.00 0.00 H new ATOM 31 N LYS A 8 -3.456 -3.011 -13.070 1.00 0.00 N ATOM 32 CA LYS A 8 -2.190 -2.324 -12.771 1.00 0.00 C ATOM 33 C LYS A 8 -1.534 -2.829 -11.477 1.00 0.00 C ATOM 34 O LYS A 8 -2.223 -3.168 -10.514 1.00 0.00 O ATOM 35 CB LYS A 8 -2.418 -0.798 -12.712 1.00 0.00 C ATOM 36 CG LYS A 8 -2.618 -0.206 -14.117 1.00 0.00 C ATOM 37 CD LYS A 8 -2.842 1.318 -14.129 1.00 0.00 C ATOM 38 CE LYS A 8 -1.677 2.136 -13.550 1.00 0.00 C ATOM 39 NZ LYS A 8 -1.930 3.595 -13.659 1.00 0.00 N ATOM 0 H LYS A 8 -4.250 -2.644 -12.546 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.496 -2.554 -13.580 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.292 -0.583 -12.097 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.564 -0.319 -12.232 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.745 -0.439 -14.726 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.473 -0.692 -14.587 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.020 1.639 -15.155 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.746 1.545 -13.563 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.528 1.869 -12.504 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.757 1.885 -14.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.125 4.118 -13.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.048 3.853 -14.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.795 3.837 -13.135 1.00 0.00 H new ATOM 49 N THR A 9 -0.196 -2.817 -11.442 1.00 0.00 N ATOM 50 CA THR A 9 0.652 -3.137 -10.279 1.00 0.00 C ATOM 51 C THR A 9 1.583 -1.962 -10.010 1.00 0.00 C ATOM 52 O THR A 9 1.986 -1.267 -10.946 1.00 0.00 O ATOM 53 CB THR A 9 1.433 -4.437 -10.525 1.00 0.00 C ATOM 54 OG1 THR A 9 0.498 -5.475 -10.700 1.00 0.00 O ATOM 55 CG2 THR A 9 2.338 -4.852 -9.363 1.00 0.00 C ATOM 0 H THR A 9 0.356 -2.572 -12.264 1.00 0.00 H new ATOM 0 HA THR A 9 0.031 -3.299 -9.398 1.00 0.00 H new ATOM 0 HB THR A 9 2.067 -4.260 -11.393 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.971 -6.318 -10.861 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.853 -5.778 -9.616 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.072 -4.068 -9.175 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.734 -5.005 -8.469 1.00 0.00 H new ATOM 63 N GLN A 10 1.962 -1.731 -8.754 1.00 0.00 N ATOM 64 CA GLN A 10 2.861 -0.646 -8.384 1.00 0.00 C ATOM 65 C GLN A 10 3.689 -1.015 -7.155 1.00 0.00 C ATOM 66 O GLN A 10 3.250 -1.804 -6.312 1.00 0.00 O ATOM 67 CB GLN A 10 2.054 0.652 -8.169 1.00 0.00 C ATOM 68 CG GLN A 10 2.879 1.930 -7.918 1.00 0.00 C ATOM 69 CD GLN A 10 3.902 2.240 -9.017 1.00 0.00 C ATOM 70 OE1 GLN A 10 4.789 1.453 -9.321 1.00 0.00 O ATOM 71 NE2 GLN A 10 3.813 3.371 -9.670 1.00 0.00 N ATOM 0 H GLN A 10 1.651 -2.295 -7.963 1.00 0.00 H new ATOM 0 HA GLN A 10 3.566 -0.475 -9.198 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.427 0.815 -9.045 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.385 0.504 -7.321 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.198 2.776 -7.821 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.402 1.831 -6.967 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.081 4.041 -9.433 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.475 3.583 -10.416 1.00 0.00 H new ATOM 78 N GLN A 11 4.880 -0.417 -7.077 1.00 0.00 N ATOM 79 CA GLN A 11 5.842 -0.537 -5.988 1.00 0.00 C ATOM 80 C GLN A 11 6.181 0.857 -5.441 1.00 0.00 C ATOM 81 O GLN A 11 6.175 1.839 -6.186 1.00 0.00 O ATOM 82 CB GLN A 11 7.097 -1.258 -6.509 1.00 0.00 C ATOM 83 CG GLN A 11 6.807 -2.745 -6.748 1.00 0.00 C ATOM 84 CD GLN A 11 8.037 -3.579 -7.097 1.00 0.00 C ATOM 85 OE1 GLN A 11 8.501 -4.395 -6.305 1.00 0.00 O ATOM 86 NE2 GLN A 11 8.603 -3.418 -8.271 1.00 0.00 N ATOM 0 H GLN A 11 5.215 0.199 -7.818 1.00 0.00 H new ATOM 0 HA GLN A 11 5.420 -1.121 -5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.431 -0.794 -7.437 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.909 -1.152 -5.789 1.00 0.00 H new ATOM 0 HG2 GLN A 11 6.343 -3.161 -5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.080 -2.836 -7.555 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.222 -2.742 -8.933 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.424 -3.969 -8.521 1.00 0.00 H new ATOM 93 N MET A 12 6.471 0.966 -4.140 1.00 0.00 N ATOM 94 CA MET A 12 6.517 2.254 -3.432 1.00 0.00 C ATOM 95 C MET A 12 7.284 2.186 -2.107 1.00 0.00 C ATOM 96 O MET A 12 7.255 1.165 -1.412 1.00 0.00 O ATOM 97 CB MET A 12 5.082 2.772 -3.199 1.00 0.00 C ATOM 98 CG MET A 12 4.178 1.769 -2.461 1.00 0.00 C ATOM 99 SD MET A 12 2.487 2.342 -2.146 1.00 0.00 S ATOM 100 CE MET A 12 1.826 2.335 -3.832 1.00 0.00 C ATOM 0 H MET A 12 6.681 0.164 -3.546 1.00 0.00 H new ATOM 0 HA MET A 12 7.065 2.950 -4.067 1.00 0.00 H new ATOM 0 HB2 MET A 12 5.127 3.698 -2.626 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.631 3.015 -4.161 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.130 0.849 -3.044 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.643 1.518 -1.508 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.753 2.526 -3.803 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.317 3.112 -4.418 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.010 1.363 -4.291 1.00 0.00 H new ATOM 108 N GLN A 13 7.907 3.308 -1.731 1.00 0.00 N ATOM 109 CA GLN A 13 8.341 3.563 -0.359 1.00 0.00 C ATOM 110 C GLN A 13 7.156 4.083 0.475 1.00 0.00 C ATOM 111 O GLN A 13 6.358 4.887 -0.004 1.00 0.00 O ATOM 112 CB GLN A 13 9.481 4.596 -0.319 1.00 0.00 C ATOM 113 CG GLN A 13 10.787 4.141 -0.988 1.00 0.00 C ATOM 114 CD GLN A 13 11.923 5.155 -0.819 1.00 0.00 C ATOM 115 OE1 GLN A 13 11.820 6.158 -0.116 1.00 0.00 O ATOM 116 NE2 GLN A 13 13.055 4.931 -1.443 1.00 0.00 N ATOM 0 H GLN A 13 8.124 4.068 -2.376 1.00 0.00 H new ATOM 0 HA GLN A 13 8.707 2.625 0.058 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.140 5.511 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.690 4.845 0.721 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.093 3.185 -0.564 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.608 3.976 -2.050 1.00 0.00 H new ATOM 0 HE21 GLN A 13 13.158 4.104 -2.031 1.00 0.00 H new ATOM 0 HE22 GLN A 13 13.832 5.584 -1.341 1.00 0.00 H new ATOM 123 N VAL A 14 7.058 3.675 1.740 1.00 0.00 N ATOM 124 CA VAL A 14 5.893 3.864 2.618 1.00 0.00 C ATOM 125 C VAL A 14 6.355 3.993 4.075 1.00 0.00 C ATOM 126 O VAL A 14 7.095 3.143 4.571 1.00 0.00 O ATOM 127 CB VAL A 14 4.897 2.683 2.441 1.00 0.00 C ATOM 128 CG1 VAL A 14 3.870 2.567 3.581 1.00 0.00 C ATOM 129 CG2 VAL A 14 4.129 2.808 1.119 1.00 0.00 C ATOM 0 H VAL A 14 7.820 3.181 2.206 1.00 0.00 H new ATOM 0 HA VAL A 14 5.375 4.783 2.344 1.00 0.00 H new ATOM 0 HB VAL A 14 5.515 1.785 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.209 1.722 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.391 2.414 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.282 3.483 3.635 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.439 1.970 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.569 3.743 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.833 2.800 0.287 1.00 0.00 H new ATOM 139 N GLY A 15 5.879 5.023 4.787 1.00 0.00 N ATOM 140 CA GLY A 15 6.249 5.270 6.193 1.00 0.00 C ATOM 141 C GLY A 15 5.744 4.187 7.152 1.00 0.00 C ATOM 142 O GLY A 15 6.384 3.893 8.159 1.00 0.00 O ATOM 0 H GLY A 15 5.227 5.710 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.334 5.336 6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.848 6.235 6.503 1.00 0.00 H new ATOM 146 N GLY A 16 4.647 3.511 6.792 1.00 0.00 N ATOM 147 CA GLY A 16 4.057 2.379 7.523 1.00 0.00 C ATOM 148 C GLY A 16 4.808 1.047 7.385 1.00 0.00 C ATOM 149 O GLY A 16 4.253 0.020 7.758 1.00 0.00 O ATOM 0 H GLY A 16 4.123 3.746 5.949 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.003 2.639 8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.033 2.238 7.177 1.00 0.00 H new ATOM 153 N MET A 17 6.038 1.047 6.853 1.00 0.00 N ATOM 154 CA MET A 17 6.851 -0.161 6.619 1.00 0.00 C ATOM 155 C MET A 17 8.229 -0.171 7.311 1.00 0.00 C ATOM 156 O MET A 17 8.973 -1.139 7.150 1.00 0.00 O ATOM 157 CB MET A 17 7.032 -0.331 5.098 1.00 0.00 C ATOM 158 CG MET A 17 5.774 -0.840 4.388 1.00 0.00 C ATOM 159 SD MET A 17 5.122 -2.422 4.987 1.00 0.00 S ATOM 160 CE MET A 17 6.629 -3.436 4.959 1.00 0.00 C ATOM 0 H MET A 17 6.509 1.905 6.566 1.00 0.00 H new ATOM 0 HA MET A 17 6.307 -0.992 7.068 1.00 0.00 H new ATOM 0 HB2 MET A 17 7.322 0.626 4.665 1.00 0.00 H new ATOM 0 HB3 MET A 17 7.851 -1.026 4.913 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.993 -0.086 4.485 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.993 -0.937 3.325 1.00 0.00 H new ATOM 0 HE1 MET A 17 6.377 -4.469 5.199 1.00 0.00 H new ATOM 0 HE2 MET A 17 7.078 -3.393 3.967 1.00 0.00 H new ATOM 0 HE3 MET A 17 7.337 -3.055 5.695 1.00 0.00 H new ATOM 219 N CYS A 22 4.450 -2.017 11.637 1.00 0.00 N ATOM 220 CA CYS A 22 3.193 -1.664 10.981 1.00 0.00 C ATOM 221 C CYS A 22 2.819 -2.472 9.727 1.00 0.00 C ATOM 222 O CYS A 22 1.657 -2.418 9.321 1.00 0.00 O ATOM 223 CB CYS A 22 3.244 -0.153 10.730 1.00 0.00 C ATOM 224 SG CYS A 22 3.207 0.710 12.327 1.00 0.00 S ATOM 0 HA CYS A 22 2.376 -1.939 11.647 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.149 0.108 10.182 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.399 0.156 10.115 1.00 0.00 H new ATOM 0 HG CYS A 22 4.065 0.163 13.136 1.00 0.00 H new ATOM 229 N ALA A 23 3.731 -3.268 9.157 1.00 0.00 N ATOM 230 CA ALA A 23 3.457 -4.125 8.003 1.00 0.00 C ATOM 231 C ALA A 23 2.222 -5.035 8.181 1.00 0.00 C ATOM 232 O ALA A 23 1.453 -5.202 7.234 1.00 0.00 O ATOM 233 CB ALA A 23 4.720 -4.941 7.734 1.00 0.00 C ATOM 0 H ALA A 23 4.693 -3.334 9.491 1.00 0.00 H new ATOM 0 HA ALA A 23 3.206 -3.495 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.555 -5.595 6.878 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.550 -4.267 7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.957 -5.544 8.611 1.00 0.00 H new ATOM 239 N SER A 24 1.974 -5.568 9.386 1.00 0.00 N ATOM 240 CA SER A 24 0.817 -6.451 9.638 1.00 0.00 C ATOM 241 C SER A 24 -0.508 -5.684 9.498 1.00 0.00 C ATOM 242 O SER A 24 -1.434 -6.135 8.835 1.00 0.00 O ATOM 243 CB SER A 24 0.870 -7.090 11.042 1.00 0.00 C ATOM 244 OG SER A 24 2.118 -7.689 11.354 1.00 0.00 O ATOM 0 H SER A 24 2.559 -5.405 10.206 1.00 0.00 H new ATOM 0 HA SER A 24 0.868 -7.241 8.888 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.649 -6.326 11.787 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.087 -7.845 11.117 1.00 0.00 H new ATOM 0 HG SER A 24 2.081 -8.071 12.256 1.00 0.00 H new ATOM 249 N SER A 25 -0.586 -4.480 10.064 1.00 0.00 N ATOM 250 CA SER A 25 -1.764 -3.597 10.027 1.00 0.00 C ATOM 251 C SER A 25 -1.957 -2.884 8.687 1.00 0.00 C ATOM 252 O SER A 25 -2.981 -2.230 8.477 1.00 0.00 O ATOM 253 CB SER A 25 -1.717 -2.577 11.174 1.00 0.00 C ATOM 254 OG SER A 25 -1.507 -3.209 12.431 1.00 0.00 O ATOM 0 H SER A 25 0.194 -4.073 10.580 1.00 0.00 H new ATOM 0 HA SER A 25 -2.629 -4.248 10.154 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.918 -1.859 10.990 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.651 -2.015 11.200 1.00 0.00 H new ATOM 0 HG SER A 25 -1.481 -2.531 13.138 1.00 0.00 H new ATOM 259 N ILE A 26 -1.016 -3.046 7.754 1.00 0.00 N ATOM 260 CA ILE A 26 -1.281 -2.862 6.329 1.00 0.00 C ATOM 261 C ILE A 26 -1.799 -4.166 5.720 1.00 0.00 C ATOM 262 O ILE A 26 -2.946 -4.195 5.281 1.00 0.00 O ATOM 263 CB ILE A 26 -0.048 -2.280 5.603 1.00 0.00 C ATOM 264 CG1 ILE A 26 0.415 -0.931 6.206 1.00 0.00 C ATOM 265 CG2 ILE A 26 -0.356 -2.114 4.103 1.00 0.00 C ATOM 266 CD1 ILE A 26 -0.680 0.141 6.316 1.00 0.00 C ATOM 0 H ILE A 26 -0.053 -3.307 7.966 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.070 -2.121 6.197 1.00 0.00 H new ATOM 0 HB ILE A 26 0.772 -2.986 5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.823 -1.115 7.200 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.228 -0.537 5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.517 -1.703 3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.603 -3.085 3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.201 -1.437 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.259 1.048 6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.074 0.362 5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.485 -0.225 6.953 1.00 0.00 H new ATOM 277 N GLU A 27 -0.999 -5.236 5.699 1.00 0.00 N ATOM 278 CA GLU A 27 -1.282 -6.420 4.876 1.00 0.00 C ATOM 279 C GLU A 27 -2.588 -7.123 5.282 1.00 0.00 C ATOM 280 O GLU A 27 -3.369 -7.503 4.405 1.00 0.00 O ATOM 281 CB GLU A 27 -0.083 -7.390 4.893 1.00 0.00 C ATOM 282 CG GLU A 27 -0.070 -8.316 3.663 1.00 0.00 C ATOM 283 CD GLU A 27 1.258 -9.061 3.480 1.00 0.00 C ATOM 284 OE1 GLU A 27 1.613 -9.909 4.332 1.00 0.00 O ATOM 285 OE2 GLU A 27 1.932 -8.863 2.435 1.00 0.00 O ATOM 0 H GLU A 27 -0.142 -5.308 6.247 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.430 -6.076 3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.845 -6.819 4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.118 -7.993 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.877 -9.043 3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.274 -7.725 2.770 1.00 0.00 H new ATOM 290 N ARG A 28 -2.878 -7.212 6.591 1.00 0.00 N ATOM 291 CA ARG A 28 -4.081 -7.871 7.130 1.00 0.00 C ATOM 292 C ARG A 28 -5.391 -7.239 6.640 1.00 0.00 C ATOM 293 O ARG A 28 -6.396 -7.945 6.500 1.00 0.00 O ATOM 294 CB ARG A 28 -3.993 -7.833 8.664 1.00 0.00 C ATOM 295 CG ARG A 28 -5.183 -8.478 9.396 1.00 0.00 C ATOM 296 CD ARG A 28 -4.917 -8.582 10.903 1.00 0.00 C ATOM 297 NE ARG A 28 -4.598 -7.272 11.497 1.00 0.00 N ATOM 298 CZ ARG A 28 -3.531 -6.944 12.210 1.00 0.00 C ATOM 299 NH1 ARG A 28 -2.595 -7.796 12.558 1.00 0.00 N ATOM 300 NH2 ARG A 28 -3.385 -5.703 12.598 1.00 0.00 N ATOM 0 H ARG A 28 -2.275 -6.823 7.316 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.104 -8.898 6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.078 -8.337 8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.908 -6.794 8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.083 -7.888 9.223 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.370 -9.471 8.988 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.793 -9.001 11.398 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.091 -9.271 11.079 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.280 -6.530 11.341 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.666 -8.774 12.278 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.797 -7.480 13.109 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.087 -5.005 12.351 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.569 -5.433 13.148 1.00 0.00 H new ATOM 311 N ALA A 29 -5.390 -5.930 6.370 1.00 0.00 N ATOM 312 CA ALA A 29 -6.519 -5.196 5.797 1.00 0.00 C ATOM 313 C ALA A 29 -6.428 -5.128 4.262 1.00 0.00 C ATOM 314 O ALA A 29 -7.426 -5.346 3.573 1.00 0.00 O ATOM 315 CB ALA A 29 -6.537 -3.794 6.421 1.00 0.00 C ATOM 0 H ALA A 29 -4.580 -5.336 6.550 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.450 -5.715 6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.371 -3.224 6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.652 -3.878 7.502 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.601 -3.283 6.194 1.00 0.00 H new ATOM 321 N LEU A 30 -5.228 -4.871 3.725 1.00 0.00 N ATOM 322 CA LEU A 30 -4.971 -4.678 2.296 1.00 0.00 C ATOM 323 C LEU A 30 -5.361 -5.897 1.453 1.00 0.00 C ATOM 324 O LEU A 30 -5.895 -5.719 0.360 1.00 0.00 O ATOM 325 CB LEU A 30 -3.488 -4.297 2.119 1.00 0.00 C ATOM 326 CG LEU A 30 -3.077 -3.905 0.687 1.00 0.00 C ATOM 327 CD1 LEU A 30 -3.883 -2.701 0.178 1.00 0.00 C ATOM 328 CD2 LEU A 30 -1.578 -3.568 0.661 1.00 0.00 C ATOM 0 H LEU A 30 -4.385 -4.790 4.293 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.603 -3.870 1.927 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.261 -3.465 2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.873 -5.138 2.439 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.285 -4.750 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.566 -2.453 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.945 -2.949 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.711 -1.846 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.285 -3.290 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.380 -2.736 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.004 -4.438 0.979 1.00 0.00 H new ATOM 339 N GLU A 31 -5.168 -7.117 1.965 1.00 0.00 N ATOM 340 CA GLU A 31 -5.562 -8.342 1.265 1.00 0.00 C ATOM 341 C GLU A 31 -7.058 -8.664 1.370 1.00 0.00 C ATOM 342 O GLU A 31 -7.509 -9.623 0.743 1.00 0.00 O ATOM 343 CB GLU A 31 -4.703 -9.532 1.719 1.00 0.00 C ATOM 344 CG GLU A 31 -5.026 -10.062 3.125 1.00 0.00 C ATOM 345 CD GLU A 31 -3.993 -11.071 3.638 1.00 0.00 C ATOM 346 OE1 GLU A 31 -3.227 -11.652 2.832 1.00 0.00 O ATOM 347 OE2 GLU A 31 -3.990 -11.350 4.865 1.00 0.00 O ATOM 0 H GLU A 31 -4.735 -7.282 2.874 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.377 -8.156 0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.826 -10.345 1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.654 -9.237 1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.082 -9.223 3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.009 -10.532 3.113 1.00 0.00 H new ATOM 352 N ARG A 32 -7.832 -7.893 2.149 1.00 0.00 N ATOM 353 CA ARG A 32 -9.279 -8.090 2.295 1.00 0.00 C ATOM 354 C ARG A 32 -10.114 -6.997 1.611 1.00 0.00 C ATOM 355 O ARG A 32 -11.192 -7.287 1.084 1.00 0.00 O ATOM 356 CB ARG A 32 -9.673 -8.171 3.780 1.00 0.00 C ATOM 357 CG ARG A 32 -9.021 -9.369 4.484 1.00 0.00 C ATOM 358 CD ARG A 32 -9.584 -9.601 5.892 1.00 0.00 C ATOM 359 NE ARG A 32 -9.295 -8.477 6.804 1.00 0.00 N ATOM 360 CZ ARG A 32 -10.181 -7.809 7.538 1.00 0.00 C ATOM 361 NH1 ARG A 32 -11.477 -7.982 7.411 1.00 0.00 N ATOM 362 NH2 ARG A 32 -9.792 -6.923 8.426 1.00 0.00 N ATOM 0 H ARG A 32 -7.469 -7.113 2.697 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.500 -9.033 1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.379 -7.250 4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.757 -8.247 3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.173 -10.266 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.945 -9.207 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.662 -9.747 5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.161 -10.518 6.303 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.321 -8.184 6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.838 -8.649 6.729 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.122 -7.449 7.994 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.798 -6.739 8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.484 -6.419 8.981 1.00 0.00 H new ATOM 373 N LEU A 33 -9.660 -5.739 1.639 1.00 0.00 N ATOM 374 CA LEU A 33 -10.405 -4.587 1.114 1.00 0.00 C ATOM 375 C LEU A 33 -10.572 -4.630 -0.417 1.00 0.00 C ATOM 376 O LEU A 33 -9.737 -5.176 -1.138 1.00 0.00 O ATOM 377 CB LEU A 33 -9.806 -3.281 1.684 1.00 0.00 C ATOM 378 CG LEU A 33 -8.343 -2.949 1.309 1.00 0.00 C ATOM 379 CD1 LEU A 33 -8.223 -2.288 -0.069 1.00 0.00 C ATOM 380 CD2 LEU A 33 -7.743 -1.993 2.354 1.00 0.00 C ATOM 0 H LEU A 33 -8.753 -5.488 2.032 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.436 -4.630 1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.434 -2.452 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.874 -3.325 2.771 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.803 -3.896 1.283 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.175 -2.077 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.619 -2.960 -0.831 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.790 -1.357 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.712 -1.762 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.326 -1.072 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.765 -2.467 3.336 1.00 0.00 H new ATOM 391 N LYS A 34 -11.678 -4.075 -0.914 1.00 0.00 N ATOM 392 CA LYS A 34 -12.111 -4.175 -2.318 1.00 0.00 C ATOM 393 C LYS A 34 -11.207 -3.396 -3.295 1.00 0.00 C ATOM 394 O LYS A 34 -10.487 -2.477 -2.894 1.00 0.00 O ATOM 395 CB LYS A 34 -13.581 -3.722 -2.368 1.00 0.00 C ATOM 396 CG LYS A 34 -14.284 -3.976 -3.710 1.00 0.00 C ATOM 397 CD LYS A 34 -15.806 -3.926 -3.525 1.00 0.00 C ATOM 398 CE LYS A 34 -16.545 -4.129 -4.851 1.00 0.00 C ATOM 399 NZ LYS A 34 -18.004 -4.270 -4.629 1.00 0.00 N ATOM 0 H LYS A 34 -12.319 -3.527 -0.339 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.022 -5.206 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.133 -4.236 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.627 -2.656 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.974 -3.228 -4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.990 -4.948 -4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -16.112 -4.696 -2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.089 -2.966 -3.094 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.354 -3.283 -5.511 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.162 -5.018 -5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.483 -4.406 -5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.184 -5.092 -4.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.370 -3.411 -4.171 1.00 0.00 H new ATOM 409 N GLY A 35 -11.222 -3.757 -4.584 1.00 0.00 N ATOM 410 CA GLY A 35 -10.525 -3.059 -5.678 1.00 0.00 C ATOM 411 C GLY A 35 -9.057 -3.462 -5.811 1.00 0.00 C ATOM 412 O GLY A 35 -8.589 -3.689 -6.928 1.00 0.00 O ATOM 0 H GLY A 35 -11.739 -4.574 -4.909 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.038 -3.266 -6.617 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.586 -1.984 -5.511 1.00 0.00 H new ATOM 416 N VAL A 36 -8.361 -3.593 -4.681 1.00 0.00 N ATOM 417 CA VAL A 36 -7.064 -4.282 -4.567 1.00 0.00 C ATOM 418 C VAL A 36 -7.268 -5.788 -4.767 1.00 0.00 C ATOM 419 O VAL A 36 -8.224 -6.359 -4.242 1.00 0.00 O ATOM 420 CB VAL A 36 -6.381 -3.986 -3.210 1.00 0.00 C ATOM 421 CG1 VAL A 36 -5.092 -4.801 -2.995 1.00 0.00 C ATOM 422 CG2 VAL A 36 -6.046 -2.487 -3.108 1.00 0.00 C ATOM 0 H VAL A 36 -8.688 -3.214 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.399 -3.906 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.089 -4.279 -2.435 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.660 -4.549 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.326 -5.865 -3.023 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.377 -4.566 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.566 -2.286 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.372 -2.209 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.963 -1.903 -3.183 1.00 0.00 H new ATOM 432 N ALA A 37 -6.377 -6.410 -5.544 1.00 0.00 N ATOM 433 CA ALA A 37 -6.508 -7.781 -6.045 1.00 0.00 C ATOM 434 C ALA A 37 -5.329 -8.719 -5.711 1.00 0.00 C ATOM 435 O ALA A 37 -5.506 -9.942 -5.753 1.00 0.00 O ATOM 436 CB ALA A 37 -6.668 -7.671 -7.565 1.00 0.00 C ATOM 0 H ALA A 37 -5.516 -5.958 -5.852 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.364 -8.238 -5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.770 -8.668 -7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.557 -7.084 -7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.791 -7.182 -7.989 1.00 0.00 H new ATOM 442 N GLU A 38 -4.150 -8.171 -5.397 1.00 0.00 N ATOM 443 CA GLU A 38 -2.935 -8.900 -4.999 1.00 0.00 C ATOM 444 C GLU A 38 -1.977 -7.920 -4.298 1.00 0.00 C ATOM 445 O GLU A 38 -1.918 -6.751 -4.681 1.00 0.00 O ATOM 446 CB GLU A 38 -2.273 -9.589 -6.216 1.00 0.00 C ATOM 447 CG GLU A 38 -1.778 -11.014 -5.924 1.00 0.00 C ATOM 448 CD GLU A 38 -0.621 -11.056 -4.933 1.00 0.00 C ATOM 449 OE1 GLU A 38 -0.882 -11.120 -3.710 1.00 0.00 O ATOM 450 OE2 GLU A 38 0.556 -11.013 -5.363 1.00 0.00 O ATOM 0 H GLU A 38 -4.008 -7.161 -5.413 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.195 -9.696 -4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.989 -9.624 -7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.432 -8.983 -6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.605 -11.606 -5.532 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.465 -11.482 -6.858 1.00 0.00 H new ATOM 455 N ALA A 39 -1.212 -8.343 -3.286 1.00 0.00 N ATOM 456 CA ALA A 39 -0.366 -7.451 -2.481 1.00 0.00 C ATOM 457 C ALA A 39 0.754 -8.181 -1.723 1.00 0.00 C ATOM 458 O ALA A 39 0.606 -9.329 -1.300 1.00 0.00 O ATOM 459 CB ALA A 39 -1.252 -6.654 -1.508 1.00 0.00 C ATOM 0 H ALA A 39 -1.161 -9.321 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 39 0.140 -6.777 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.629 -5.991 -0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.972 -6.063 -2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.784 -7.343 -0.852 1.00 0.00 H new ATOM 465 N SER A 40 1.865 -7.484 -1.489 1.00 0.00 N ATOM 466 CA SER A 40 3.027 -7.993 -0.749 1.00 0.00 C ATOM 467 C SER A 40 3.723 -6.868 0.034 1.00 0.00 C ATOM 468 O SER A 40 4.389 -6.023 -0.571 1.00 0.00 O ATOM 469 CB SER A 40 4.044 -8.617 -1.722 1.00 0.00 C ATOM 470 OG SER A 40 3.530 -9.749 -2.401 1.00 0.00 O ATOM 0 H SER A 40 1.989 -6.526 -1.815 1.00 0.00 H new ATOM 0 HA SER A 40 2.667 -8.746 -0.048 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.348 -7.868 -2.453 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.939 -8.905 -1.170 1.00 0.00 H new ATOM 0 HG SER A 40 4.213 -10.106 -3.006 1.00 0.00 H new ATOM 475 N VAL A 41 3.627 -6.865 1.370 1.00 0.00 N ATOM 476 CA VAL A 41 4.490 -6.011 2.220 1.00 0.00 C ATOM 477 C VAL A 41 5.889 -6.637 2.337 1.00 0.00 C ATOM 478 O VAL A 41 5.999 -7.858 2.478 1.00 0.00 O ATOM 479 CB VAL A 41 3.883 -5.715 3.617 1.00 0.00 C ATOM 480 CG1 VAL A 41 2.492 -5.073 3.480 1.00 0.00 C ATOM 481 CG2 VAL A 41 3.861 -6.929 4.556 1.00 0.00 C ATOM 0 H VAL A 41 2.965 -7.440 1.891 1.00 0.00 H new ATOM 0 HA VAL A 41 4.567 -5.042 1.727 1.00 0.00 H new ATOM 0 HB VAL A 41 4.552 -5.000 4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.084 -4.874 4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.576 -4.137 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.829 -5.752 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.423 -6.642 5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.266 -7.725 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.879 -7.284 4.716 1.00 0.00 H new ATOM 491 N THR A 42 6.944 -5.815 2.266 1.00 0.00 N ATOM 492 CA THR A 42 8.353 -6.245 2.297 1.00 0.00 C ATOM 493 C THR A 42 9.035 -5.607 3.500 1.00 0.00 C ATOM 494 O THR A 42 9.478 -4.463 3.434 1.00 0.00 O ATOM 495 CB THR A 42 9.056 -5.837 0.995 1.00 0.00 C ATOM 496 OG1 THR A 42 8.349 -6.379 -0.091 1.00 0.00 O ATOM 497 CG2 THR A 42 10.487 -6.357 0.895 1.00 0.00 C ATOM 0 H THR A 42 6.841 -4.804 2.183 1.00 0.00 H new ATOM 0 HA THR A 42 8.409 -7.330 2.385 1.00 0.00 H new ATOM 0 HB THR A 42 9.082 -4.747 0.984 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.789 -6.123 -0.928 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.927 -6.033 -0.048 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.076 -5.963 1.724 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.482 -7.446 0.938 1.00 0.00 H new ATOM 505 N VAL A 43 9.101 -6.334 4.612 1.00 0.00 N ATOM 506 CA VAL A 43 9.596 -5.824 5.902 1.00 0.00 C ATOM 507 C VAL A 43 11.112 -5.573 5.895 1.00 0.00 C ATOM 508 O VAL A 43 11.549 -4.588 6.485 1.00 0.00 O ATOM 509 CB VAL A 43 9.212 -6.788 7.051 1.00 0.00 C ATOM 510 CG1 VAL A 43 9.846 -6.420 8.405 1.00 0.00 C ATOM 511 CG2 VAL A 43 7.685 -6.771 7.219 1.00 0.00 C ATOM 0 H VAL A 43 8.809 -7.311 4.650 1.00 0.00 H new ATOM 0 HA VAL A 43 9.115 -4.860 6.067 1.00 0.00 H new ATOM 0 HB VAL A 43 9.589 -7.772 6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.532 -7.139 9.161 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.932 -6.439 8.315 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.523 -5.421 8.698 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.400 -7.446 8.026 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.357 -5.760 7.459 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.213 -7.095 6.291 1.00 0.00 H new ATOM 521 N ALA A 44 11.914 -6.420 5.234 1.00 0.00 N ATOM 522 CA ALA A 44 13.380 -6.400 5.351 1.00 0.00 C ATOM 523 C ALA A 44 14.022 -5.097 4.836 1.00 0.00 C ATOM 524 O ALA A 44 14.928 -4.547 5.474 1.00 0.00 O ATOM 525 CB ALA A 44 13.928 -7.636 4.625 1.00 0.00 C ATOM 0 H ALA A 44 11.564 -7.140 4.602 1.00 0.00 H new ATOM 0 HA ALA A 44 13.646 -6.432 6.408 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.016 -7.647 4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.525 -8.538 5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 44 13.633 -7.603 3.576 1.00 0.00 H new ATOM 531 N THR A 45 13.516 -4.589 3.706 1.00 0.00 N ATOM 532 CA THR A 45 13.890 -3.305 3.086 1.00 0.00 C ATOM 533 C THR A 45 12.859 -2.202 3.342 1.00 0.00 C ATOM 534 O THR A 45 13.161 -1.034 3.091 1.00 0.00 O ATOM 535 CB THR A 45 14.130 -3.503 1.585 1.00 0.00 C ATOM 536 OG1 THR A 45 13.027 -4.181 1.037 1.00 0.00 O ATOM 537 CG2 THR A 45 15.394 -4.327 1.335 1.00 0.00 C ATOM 0 H THR A 45 12.801 -5.082 3.171 1.00 0.00 H new ATOM 0 HA THR A 45 14.814 -2.969 3.556 1.00 0.00 H new ATOM 0 HB THR A 45 14.256 -2.526 1.118 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.168 -4.312 0.076 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.540 -4.452 0.262 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.255 -3.811 1.761 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.289 -5.306 1.804 1.00 0.00 H new ATOM 545 N GLY A 46 11.671 -2.533 3.861 1.00 0.00 N ATOM 546 CA GLY A 46 10.613 -1.599 4.241 1.00 0.00 C ATOM 547 C GLY A 46 9.865 -1.007 3.047 1.00 0.00 C ATOM 548 O GLY A 46 9.536 0.176 3.088 1.00 0.00 O ATOM 0 H GLY A 46 11.412 -3.504 4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.901 -2.112 4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 46 11.048 -0.788 4.826 1.00 0.00 H new ATOM 552 N ARG A 47 9.598 -1.796 1.998 1.00 0.00 N ATOM 553 CA ARG A 47 8.884 -1.377 0.776 1.00 0.00 C ATOM 554 C ARG A 47 7.586 -2.174 0.561 1.00 0.00 C ATOM 555 O ARG A 47 7.210 -3.010 1.386 1.00 0.00 O ATOM 556 CB ARG A 47 9.833 -1.422 -0.444 1.00 0.00 C ATOM 557 CG ARG A 47 10.340 -2.830 -0.815 1.00 0.00 C ATOM 558 CD ARG A 47 11.359 -2.831 -1.970 1.00 0.00 C ATOM 559 NE ARG A 47 12.546 -2.020 -1.648 1.00 0.00 N ATOM 560 CZ ARG A 47 13.630 -1.817 -2.384 1.00 0.00 C ATOM 561 NH1 ARG A 47 13.786 -2.301 -3.597 1.00 0.00 N ATOM 562 NH2 ARG A 47 14.584 -1.080 -1.870 1.00 0.00 N ATOM 0 H ARG A 47 9.880 -2.776 1.972 1.00 0.00 H new ATOM 0 HA ARG A 47 8.568 -0.341 0.902 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.316 -0.998 -1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.693 -0.783 -0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.797 -3.286 0.063 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.489 -3.453 -1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.665 -3.855 -2.185 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.887 -2.443 -2.873 1.00 0.00 H new ATOM 0 HE ARG A 47 12.532 -1.554 -0.741 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.049 -2.866 -4.019 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.644 -2.111 -4.116 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.477 -0.686 -0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.434 -0.900 -2.405 1.00 0.00 H new ATOM 573 N LEU A 48 6.874 -1.902 -0.534 1.00 0.00 N ATOM 574 CA LEU A 48 5.545 -2.464 -0.812 1.00 0.00 C ATOM 575 C LEU A 48 5.359 -2.780 -2.300 1.00 0.00 C ATOM 576 O LEU A 48 5.982 -2.140 -3.152 1.00 0.00 O ATOM 577 CB LEU A 48 4.486 -1.451 -0.314 1.00 0.00 C ATOM 578 CG LEU A 48 3.505 -2.039 0.716 1.00 0.00 C ATOM 579 CD1 LEU A 48 2.744 -0.889 1.384 1.00 0.00 C ATOM 580 CD2 LEU A 48 2.493 -2.998 0.070 1.00 0.00 C ATOM 0 H LEU A 48 7.207 -1.275 -1.266 1.00 0.00 H new ATOM 0 HA LEU A 48 5.432 -3.412 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.995 -0.595 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.922 -1.079 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 48 4.083 -2.606 1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.045 -1.292 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.451 -0.226 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.194 -0.329 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.822 -3.388 0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.914 -2.463 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.025 -3.824 -0.402 1.00 0.00 H new ATOM 591 N THR A 49 4.464 -3.728 -2.598 1.00 0.00 N ATOM 592 CA THR A 49 3.930 -4.040 -3.935 1.00 0.00 C ATOM 593 C THR A 49 2.434 -4.262 -3.790 1.00 0.00 C ATOM 594 O THR A 49 2.009 -4.955 -2.866 1.00 0.00 O ATOM 595 CB THR A 49 4.575 -5.295 -4.539 1.00 0.00 C ATOM 596 OG1 THR A 49 5.972 -5.171 -4.488 1.00 0.00 O ATOM 597 CG2 THR A 49 4.184 -5.483 -6.006 1.00 0.00 C ATOM 0 H THR A 49 4.070 -4.332 -1.877 1.00 0.00 H new ATOM 0 HA THR A 49 4.153 -3.211 -4.607 1.00 0.00 H new ATOM 0 HB THR A 49 4.226 -6.151 -3.961 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.386 -5.972 -4.872 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.661 -6.382 -6.397 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.101 -5.583 -6.084 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.511 -4.618 -6.583 1.00 0.00 H new ATOM 605 N VAL A 50 1.651 -3.679 -4.694 1.00 0.00 N ATOM 606 CA VAL A 50 0.182 -3.781 -4.694 1.00 0.00 C ATOM 607 C VAL A 50 -0.365 -3.790 -6.125 1.00 0.00 C ATOM 608 O VAL A 50 0.171 -3.099 -6.992 1.00 0.00 O ATOM 609 CB VAL A 50 -0.449 -2.663 -3.826 1.00 0.00 C ATOM 610 CG1 VAL A 50 -0.194 -1.251 -4.384 1.00 0.00 C ATOM 611 CG2 VAL A 50 -1.957 -2.887 -3.617 1.00 0.00 C ATOM 0 H VAL A 50 2.017 -3.114 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.101 -4.731 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 50 0.051 -2.725 -2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.661 -0.512 -3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.879 -1.067 -4.431 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.620 -1.173 -5.384 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.363 -2.082 -3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.461 -2.896 -4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.117 -3.841 -3.116 1.00 0.00 H new ATOM 621 N THR A 51 -1.421 -4.578 -6.360 1.00 0.00 N ATOM 622 CA THR A 51 -2.096 -4.797 -7.648 1.00 0.00 C ATOM 623 C THR A 51 -3.582 -4.525 -7.473 1.00 0.00 C ATOM 624 O THR A 51 -4.171 -4.972 -6.492 1.00 0.00 O ATOM 625 CB THR A 51 -1.871 -6.238 -8.117 1.00 0.00 C ATOM 626 OG1 THR A 51 -0.485 -6.453 -8.246 1.00 0.00 O ATOM 627 CG2 THR A 51 -2.519 -6.544 -9.468 1.00 0.00 C ATOM 0 H THR A 51 -1.856 -5.114 -5.609 1.00 0.00 H new ATOM 0 HA THR A 51 -1.688 -4.123 -8.401 1.00 0.00 H new ATOM 0 HB THR A 51 -2.330 -6.891 -7.374 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.176 -6.089 -9.102 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.321 -7.581 -9.740 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.595 -6.386 -9.399 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.103 -5.883 -10.229 1.00 0.00 H new ATOM 635 N TYR A 52 -4.187 -3.789 -8.404 1.00 0.00 N ATOM 636 CA TYR A 52 -5.511 -3.170 -8.241 1.00 0.00 C ATOM 637 C TYR A 52 -6.169 -2.781 -9.578 1.00 0.00 C ATOM 638 O TYR A 52 -5.491 -2.546 -10.581 1.00 0.00 O ATOM 639 CB TYR A 52 -5.395 -1.945 -7.312 1.00 0.00 C ATOM 640 CG TYR A 52 -4.360 -0.911 -7.733 1.00 0.00 C ATOM 641 CD1 TYR A 52 -3.022 -1.057 -7.316 1.00 0.00 C ATOM 642 CD2 TYR A 52 -4.720 0.186 -8.545 1.00 0.00 C ATOM 643 CE1 TYR A 52 -2.041 -0.143 -7.731 1.00 0.00 C ATOM 644 CE2 TYR A 52 -3.744 1.122 -8.944 1.00 0.00 C ATOM 645 CZ TYR A 52 -2.399 0.952 -8.541 1.00 0.00 C ATOM 646 OH TYR A 52 -1.437 1.835 -8.915 1.00 0.00 O ATOM 0 H TYR A 52 -3.766 -3.600 -9.313 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.165 -3.917 -7.792 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -6.369 -1.459 -7.254 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.152 -2.292 -6.308 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.749 -1.879 -6.671 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.745 0.309 -8.861 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.013 -0.279 -7.430 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -4.023 1.967 -9.556 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.835 2.536 -9.472 1.00 0.00 H new ATOM 655 N ASP A 53 -7.503 -2.688 -9.590 1.00 0.00 N ATOM 656 CA ASP A 53 -8.299 -2.288 -10.747 1.00 0.00 C ATOM 657 C ASP A 53 -8.383 -0.753 -10.804 1.00 0.00 C ATOM 658 O ASP A 53 -9.044 -0.161 -9.942 1.00 0.00 O ATOM 659 CB ASP A 53 -9.693 -2.916 -10.645 1.00 0.00 C ATOM 660 CG ASP A 53 -10.610 -2.467 -11.784 1.00 0.00 C ATOM 661 OD1 ASP A 53 -10.376 -2.900 -12.934 1.00 0.00 O ATOM 662 OD2 ASP A 53 -11.562 -1.694 -11.517 1.00 0.00 O ATOM 0 H ASP A 53 -8.072 -2.896 -8.769 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.830 -2.639 -11.666 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.603 -4.002 -10.659 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.143 -2.646 -9.690 1.00 0.00 H new ATOM 666 N PRO A 54 -7.765 -0.099 -11.809 1.00 0.00 N ATOM 667 CA PRO A 54 -7.664 1.358 -11.891 1.00 0.00 C ATOM 668 C PRO A 54 -8.991 2.036 -12.275 1.00 0.00 C ATOM 669 O PRO A 54 -8.998 3.216 -12.630 1.00 0.00 O ATOM 670 CB PRO A 54 -6.557 1.606 -12.919 1.00 0.00 C ATOM 671 CG PRO A 54 -6.722 0.438 -13.888 1.00 0.00 C ATOM 672 CD PRO A 54 -7.082 -0.708 -12.947 1.00 0.00 C ATOM 0 HA PRO A 54 -7.431 1.799 -10.922 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.679 2.566 -13.420 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.570 1.611 -12.456 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.506 0.625 -14.622 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.806 0.237 -14.444 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.725 -1.433 -13.445 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.189 -1.243 -12.625 1.00 0.00 H new ATOM 677 N LYS A 55 -10.108 1.297 -12.229 1.00 0.00 N ATOM 678 CA LYS A 55 -11.419 1.732 -12.718 1.00 0.00 C ATOM 679 C LYS A 55 -12.491 1.756 -11.608 1.00 0.00 C ATOM 680 O LYS A 55 -13.350 2.637 -11.631 1.00 0.00 O ATOM 681 CB LYS A 55 -11.761 0.848 -13.930 1.00 0.00 C ATOM 682 CG LYS A 55 -13.014 1.323 -14.675 1.00 0.00 C ATOM 683 CD LYS A 55 -13.099 0.753 -16.099 1.00 0.00 C ATOM 684 CE LYS A 55 -13.146 -0.779 -16.216 1.00 0.00 C ATOM 685 NZ LYS A 55 -14.376 -1.365 -15.638 1.00 0.00 N ATOM 0 H LYS A 55 -10.122 0.354 -11.839 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.392 2.773 -13.041 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.916 0.839 -14.618 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.910 -0.179 -13.595 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.901 1.027 -14.114 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.015 2.412 -14.722 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.989 1.160 -16.578 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.239 1.113 -16.664 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.075 -1.060 -17.267 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.277 -1.203 -15.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.352 -2.399 -15.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.434 -1.123 -14.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.208 -0.985 -16.133 1.00 0.00 H new ATOM 695 N GLN A 56 -12.409 0.875 -10.600 1.00 0.00 N ATOM 696 CA GLN A 56 -13.195 0.974 -9.354 1.00 0.00 C ATOM 697 C GLN A 56 -12.413 1.605 -8.182 1.00 0.00 C ATOM 698 O GLN A 56 -13.037 2.029 -7.208 1.00 0.00 O ATOM 699 CB GLN A 56 -13.773 -0.407 -8.987 1.00 0.00 C ATOM 700 CG GLN A 56 -12.774 -1.384 -8.339 1.00 0.00 C ATOM 701 CD GLN A 56 -13.202 -2.839 -8.525 1.00 0.00 C ATOM 702 OE1 GLN A 56 -13.729 -3.499 -7.635 1.00 0.00 O ATOM 703 NE2 GLN A 56 -13.010 -3.376 -9.705 1.00 0.00 N ATOM 0 H GLN A 56 -11.790 0.065 -10.624 1.00 0.00 H new ATOM 0 HA GLN A 56 -14.019 1.662 -9.544 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -14.611 -0.263 -8.305 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -14.173 -0.867 -9.890 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -11.786 -1.237 -8.776 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.688 -1.164 -7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -12.572 -2.831 -10.448 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.298 -4.339 -9.880 1.00 0.00 H new ATOM 710 N VAL A 57 -11.078 1.689 -8.261 1.00 0.00 N ATOM 711 CA VAL A 57 -10.201 2.354 -7.275 1.00 0.00 C ATOM 712 C VAL A 57 -8.958 2.930 -7.974 1.00 0.00 C ATOM 713 O VAL A 57 -8.758 2.727 -9.168 1.00 0.00 O ATOM 714 CB VAL A 57 -9.753 1.413 -6.118 1.00 0.00 C ATOM 715 CG1 VAL A 57 -10.913 0.920 -5.240 1.00 0.00 C ATOM 716 CG2 VAL A 57 -8.945 0.194 -6.603 1.00 0.00 C ATOM 0 H VAL A 57 -10.557 1.283 -9.038 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.792 3.154 -6.829 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.106 2.047 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.525 0.270 -4.456 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -11.415 1.775 -4.787 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.623 0.365 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.664 -0.420 -5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.553 -0.396 -7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.046 0.534 -7.116 1.00 0.00 H new ATOM 726 N SER A 58 -8.075 3.590 -7.226 1.00 0.00 N ATOM 727 CA SER A 58 -6.706 3.909 -7.658 1.00 0.00 C ATOM 728 C SER A 58 -5.718 3.759 -6.483 1.00 0.00 C ATOM 729 O SER A 58 -6.065 3.171 -5.455 1.00 0.00 O ATOM 730 CB SER A 58 -6.667 5.316 -8.286 1.00 0.00 C ATOM 731 OG SER A 58 -6.725 6.339 -7.301 1.00 0.00 O ATOM 0 H SER A 58 -8.290 3.925 -6.287 1.00 0.00 H new ATOM 0 HA SER A 58 -6.392 3.201 -8.425 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.754 5.427 -8.871 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.503 5.429 -8.976 1.00 0.00 H new ATOM 0 HG SER A 58 -5.881 6.837 -7.297 1.00 0.00 H new ATOM 736 N GLU A 59 -4.508 4.329 -6.578 1.00 0.00 N ATOM 737 CA GLU A 59 -3.565 4.467 -5.451 1.00 0.00 C ATOM 738 C GLU A 59 -4.164 5.160 -4.203 1.00 0.00 C ATOM 739 O GLU A 59 -3.669 4.984 -3.091 1.00 0.00 O ATOM 740 CB GLU A 59 -2.274 5.171 -5.921 1.00 0.00 C ATOM 741 CG GLU A 59 -2.411 6.647 -6.339 1.00 0.00 C ATOM 742 CD GLU A 59 -3.270 6.844 -7.588 1.00 0.00 C ATOM 743 OE1 GLU A 59 -2.898 6.324 -8.666 1.00 0.00 O ATOM 744 OE2 GLU A 59 -4.360 7.457 -7.491 1.00 0.00 O ATOM 0 H GLU A 59 -4.149 4.714 -7.452 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.328 3.455 -5.124 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.540 5.110 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.869 4.613 -6.765 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.846 7.212 -5.515 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.419 7.060 -6.520 1.00 0.00 H new ATOM 749 N ILE A 60 -5.279 5.883 -4.359 1.00 0.00 N ATOM 750 CA ILE A 60 -6.091 6.425 -3.256 1.00 0.00 C ATOM 751 C ILE A 60 -6.490 5.354 -2.226 1.00 0.00 C ATOM 752 O ILE A 60 -6.487 5.639 -1.029 1.00 0.00 O ATOM 753 CB ILE A 60 -7.326 7.136 -3.864 1.00 0.00 C ATOM 754 CG1 ILE A 60 -6.958 8.474 -4.548 1.00 0.00 C ATOM 755 CG2 ILE A 60 -8.474 7.328 -2.857 1.00 0.00 C ATOM 756 CD1 ILE A 60 -6.430 9.578 -3.619 1.00 0.00 C ATOM 0 H ILE A 60 -5.654 6.115 -5.279 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.492 7.143 -2.696 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.695 6.459 -4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.204 8.275 -5.310 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.841 8.851 -5.064 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.307 7.832 -3.347 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.803 6.356 -2.490 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.126 7.933 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.204 10.469 -4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.186 9.817 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.524 9.232 -3.121 1.00 0.00 H new ATOM 767 N THR A 61 -6.810 4.124 -2.648 1.00 0.00 N ATOM 768 CA THR A 61 -7.313 3.079 -1.737 1.00 0.00 C ATOM 769 C THR A 61 -6.238 2.567 -0.784 1.00 0.00 C ATOM 770 O THR A 61 -6.511 2.438 0.410 1.00 0.00 O ATOM 771 CB THR A 61 -8.011 1.984 -2.542 1.00 0.00 C ATOM 772 OG1 THR A 61 -9.275 2.502 -2.875 1.00 0.00 O ATOM 773 CG2 THR A 61 -8.272 0.702 -1.760 1.00 0.00 C ATOM 0 H THR A 61 -6.730 3.824 -3.620 1.00 0.00 H new ATOM 0 HA THR A 61 -8.062 3.516 -1.076 1.00 0.00 H new ATOM 0 HB THR A 61 -7.368 1.728 -3.384 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.950 1.796 -2.793 1.00 0.00 H new ATOM 0 HG21 THR A 61 -8.770 -0.022 -2.405 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.325 0.288 -1.413 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.908 0.922 -0.902 1.00 0.00 H new ATOM 781 N ILE A 62 -5.007 2.335 -1.249 1.00 0.00 N ATOM 782 CA ILE A 62 -3.871 2.036 -0.361 1.00 0.00 C ATOM 783 C ILE A 62 -3.420 3.274 0.432 1.00 0.00 C ATOM 784 O ILE A 62 -3.110 3.139 1.619 1.00 0.00 O ATOM 785 CB ILE A 62 -2.743 1.306 -1.131 1.00 0.00 C ATOM 786 CG1 ILE A 62 -1.829 0.586 -0.118 1.00 0.00 C ATOM 787 CG2 ILE A 62 -1.961 2.238 -2.073 1.00 0.00 C ATOM 788 CD1 ILE A 62 -0.684 -0.227 -0.732 1.00 0.00 C ATOM 0 H ILE A 62 -4.767 2.348 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.199 1.333 0.405 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.195 0.564 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.404 1.330 0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.441 -0.081 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.184 1.670 -2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.642 2.666 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.502 3.039 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.102 -0.693 0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.094 -1.000 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.041 0.433 -1.314 1.00 0.00 H new ATOM 799 N GLN A 63 -3.485 4.479 -0.153 1.00 0.00 N ATOM 800 CA GLN A 63 -3.277 5.739 0.574 1.00 0.00 C ATOM 801 C GLN A 63 -4.228 5.848 1.772 1.00 0.00 C ATOM 802 O GLN A 63 -3.785 6.228 2.850 1.00 0.00 O ATOM 803 CB GLN A 63 -3.409 6.937 -0.392 1.00 0.00 C ATOM 804 CG GLN A 63 -3.187 8.336 0.227 1.00 0.00 C ATOM 805 CD GLN A 63 -4.488 9.033 0.640 1.00 0.00 C ATOM 806 OE1 GLN A 63 -5.073 9.819 -0.104 1.00 0.00 O ATOM 807 NE2 GLN A 63 -5.001 8.762 1.819 1.00 0.00 N ATOM 0 H GLN A 63 -3.684 4.607 -1.145 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.265 5.752 0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.694 6.804 -1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.404 6.912 -0.836 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.542 8.240 1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.660 8.963 -0.492 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.525 8.112 2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.875 9.202 2.108 1.00 0.00 H new ATOM 814 N GLU A 64 -5.511 5.503 1.627 1.00 0.00 N ATOM 815 CA GLU A 64 -6.514 5.585 2.697 1.00 0.00 C ATOM 816 C GLU A 64 -6.358 4.535 3.808 1.00 0.00 C ATOM 817 O GLU A 64 -6.961 4.714 4.868 1.00 0.00 O ATOM 818 CB GLU A 64 -7.924 5.523 2.081 1.00 0.00 C ATOM 819 CG GLU A 64 -8.359 6.866 1.476 1.00 0.00 C ATOM 820 CD GLU A 64 -8.501 7.943 2.548 1.00 0.00 C ATOM 821 OE1 GLU A 64 -9.324 7.766 3.474 1.00 0.00 O ATOM 822 OE2 GLU A 64 -7.766 8.960 2.491 1.00 0.00 O ATOM 0 H GLU A 64 -5.890 5.152 0.747 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.353 6.541 3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.946 4.755 1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.639 5.224 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.628 7.185 0.733 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.309 6.741 0.956 1.00 0.00 H new ATOM 827 N ARG A 65 -5.553 3.482 3.617 1.00 0.00 N ATOM 828 CA ARG A 65 -5.153 2.542 4.681 1.00 0.00 C ATOM 829 C ARG A 65 -3.815 2.966 5.298 1.00 0.00 C ATOM 830 O ARG A 65 -3.701 3.023 6.522 1.00 0.00 O ATOM 831 CB ARG A 65 -5.164 1.109 4.108 1.00 0.00 C ATOM 832 CG ARG A 65 -4.421 -0.004 4.874 1.00 0.00 C ATOM 833 CD ARG A 65 -4.611 -0.146 6.396 1.00 0.00 C ATOM 834 NE ARG A 65 -6.013 -0.250 6.832 1.00 0.00 N ATOM 835 CZ ARG A 65 -6.416 -0.634 8.041 1.00 0.00 C ATOM 836 NH1 ARG A 65 -5.590 -1.136 8.937 1.00 0.00 N ATOM 837 NH2 ARG A 65 -7.686 -0.505 8.345 1.00 0.00 N ATOM 0 H ARG A 65 -5.154 3.253 2.707 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.864 2.560 5.507 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.205 0.802 4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.746 1.153 3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.704 -0.954 4.421 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.355 0.132 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.072 -1.031 6.735 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.154 0.713 6.888 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.734 -0.008 6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.600 -1.243 8.715 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.941 -1.418 9.852 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.337 -0.118 7.662 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.022 -0.791 9.265 1.00 0.00 H new ATOM 848 N ILE A 66 -2.817 3.339 4.492 1.00 0.00 N ATOM 849 CA ILE A 66 -1.514 3.832 4.989 1.00 0.00 C ATOM 850 C ILE A 66 -1.679 5.111 5.825 1.00 0.00 C ATOM 851 O ILE A 66 -1.087 5.218 6.899 1.00 0.00 O ATOM 852 CB ILE A 66 -0.544 4.019 3.799 1.00 0.00 C ATOM 853 CG1 ILE A 66 -0.175 2.643 3.190 1.00 0.00 C ATOM 854 CG2 ILE A 66 0.736 4.757 4.234 1.00 0.00 C ATOM 855 CD1 ILE A 66 0.451 2.748 1.796 1.00 0.00 C ATOM 0 H ILE A 66 -2.882 3.310 3.474 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.082 3.090 5.661 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.049 4.624 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.521 2.133 3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.072 2.026 3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.398 4.873 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.474 5.740 4.626 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.243 4.181 5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.686 1.750 1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.252 3.230 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.365 3.339 1.851 1.00 0.00 H new ATOM 866 N ALA A 67 -2.523 6.042 5.377 1.00 0.00 N ATOM 867 CA ALA A 67 -2.831 7.265 6.112 1.00 0.00 C ATOM 868 C ALA A 67 -3.563 6.977 7.437 1.00 0.00 C ATOM 869 O ALA A 67 -3.288 7.634 8.439 1.00 0.00 O ATOM 870 CB ALA A 67 -3.678 8.179 5.216 1.00 0.00 C ATOM 0 H ALA A 67 -3.015 5.966 4.487 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.894 7.758 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.915 9.097 5.754 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.119 8.422 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.602 7.668 4.945 1.00 0.00 H new ATOM 876 N ALA A 68 -4.471 5.992 7.465 1.00 0.00 N ATOM 877 CA ALA A 68 -5.316 5.683 8.623 1.00 0.00 C ATOM 878 C ALA A 68 -4.522 5.060 9.782 1.00 0.00 C ATOM 879 O ALA A 68 -4.846 5.295 10.948 1.00 0.00 O ATOM 880 CB ALA A 68 -6.449 4.764 8.152 1.00 0.00 C ATOM 0 H ALA A 68 -4.641 5.378 6.669 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.729 6.609 9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.093 4.519 8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.034 5.271 7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.027 3.848 7.740 1.00 0.00 H new ATOM 886 N LEU A 69 -3.446 4.336 9.450 1.00 0.00 N ATOM 887 CA LEU A 69 -2.436 3.837 10.390 1.00 0.00 C ATOM 888 C LEU A 69 -1.474 4.942 10.892 1.00 0.00 C ATOM 889 O LEU A 69 -0.635 4.690 11.761 1.00 0.00 O ATOM 890 CB LEU A 69 -1.713 2.672 9.683 1.00 0.00 C ATOM 891 CG LEU A 69 -0.961 1.707 10.621 1.00 0.00 C ATOM 892 CD1 LEU A 69 -1.884 1.055 11.661 1.00 0.00 C ATOM 893 CD2 LEU A 69 -0.311 0.609 9.776 1.00 0.00 C ATOM 0 H LEU A 69 -3.248 4.072 8.485 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.910 3.484 11.306 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.446 2.102 9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.003 3.086 8.967 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.215 2.287 11.164 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.302 0.385 12.295 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.343 1.829 12.276 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.662 0.487 11.151 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.225 -0.082 10.427 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.082 0.067 9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.387 1.059 9.070 1.00 0.00 H new ATOM 904 N GLY A 70 -1.595 6.167 10.359 1.00 0.00 N ATOM 905 CA GLY A 70 -0.922 7.390 10.816 1.00 0.00 C ATOM 906 C GLY A 70 0.300 7.818 10.000 1.00 0.00 C ATOM 907 O GLY A 70 1.004 8.734 10.422 1.00 0.00 O ATOM 0 H GLY A 70 -2.198 6.339 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.645 8.205 10.808 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.613 7.248 11.852 1.00 0.00 H new ATOM 911 N TYR A 71 0.565 7.196 8.849 1.00 0.00 N ATOM 912 CA TYR A 71 1.744 7.463 8.005 1.00 0.00 C ATOM 913 C TYR A 71 1.376 8.148 6.667 1.00 0.00 C ATOM 914 O TYR A 71 0.281 8.697 6.522 1.00 0.00 O ATOM 915 CB TYR A 71 2.489 6.129 7.805 1.00 0.00 C ATOM 916 CG TYR A 71 3.004 5.524 9.097 1.00 0.00 C ATOM 917 CD1 TYR A 71 4.226 5.967 9.637 1.00 0.00 C ATOM 918 CD2 TYR A 71 2.256 4.536 9.769 1.00 0.00 C ATOM 919 CE1 TYR A 71 4.709 5.419 10.839 1.00 0.00 C ATOM 920 CE2 TYR A 71 2.730 3.991 10.976 1.00 0.00 C ATOM 921 CZ TYR A 71 3.963 4.429 11.514 1.00 0.00 C ATOM 922 OH TYR A 71 4.438 3.899 12.673 1.00 0.00 O ATOM 0 H TYR A 71 -0.045 6.475 8.464 1.00 0.00 H new ATOM 0 HA TYR A 71 2.399 8.177 8.504 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.820 5.417 7.321 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.328 6.289 7.128 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.795 6.730 9.127 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.317 4.197 9.356 1.00 0.00 H new ATOM 0 HE1 TYR A 71 5.651 5.756 11.246 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.153 3.238 11.492 1.00 0.00 H new ATOM 0 HH TYR A 71 4.168 2.959 12.738 1.00 0.00 H new ATOM 931 N THR A 72 2.276 8.102 5.675 1.00 0.00 N ATOM 932 CA THR A 72 2.031 8.474 4.271 1.00 0.00 C ATOM 933 C THR A 72 2.722 7.468 3.337 1.00 0.00 C ATOM 934 O THR A 72 3.433 6.573 3.807 1.00 0.00 O ATOM 935 CB THR A 72 2.549 9.893 3.964 1.00 0.00 C ATOM 936 OG1 THR A 72 3.951 9.910 4.088 1.00 0.00 O ATOM 937 CG2 THR A 72 1.979 10.986 4.869 1.00 0.00 C ATOM 0 H THR A 72 3.235 7.792 5.833 1.00 0.00 H new ATOM 0 HA THR A 72 0.954 8.459 4.105 1.00 0.00 H new ATOM 0 HB THR A 72 2.218 10.116 2.950 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.286 10.810 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.397 11.951 4.582 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.894 11.016 4.765 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.238 10.772 5.906 1.00 0.00 H new ATOM 945 N LEU A 73 2.540 7.632 2.023 1.00 0.00 N ATOM 946 CA LEU A 73 3.170 6.844 0.951 1.00 0.00 C ATOM 947 C LEU A 73 3.929 7.735 -0.045 1.00 0.00 C ATOM 948 O LEU A 73 3.635 8.924 -0.153 1.00 0.00 O ATOM 949 CB LEU A 73 2.098 5.994 0.225 1.00 0.00 C ATOM 950 CG LEU A 73 1.171 6.709 -0.790 1.00 0.00 C ATOM 951 CD1 LEU A 73 0.243 5.667 -1.436 1.00 0.00 C ATOM 952 CD2 LEU A 73 0.311 7.818 -0.168 1.00 0.00 C ATOM 0 H LEU A 73 1.919 8.353 1.656 1.00 0.00 H new ATOM 0 HA LEU A 73 3.904 6.180 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.610 5.188 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.468 5.531 0.984 1.00 0.00 H new ATOM 0 HG LEU A 73 1.820 7.187 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.414 6.160 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.842 4.915 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.358 5.186 -0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.311 8.272 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.326 7.393 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.958 8.578 0.270 1.00 0.00 H new ATOM 963 N ALA A 74 4.834 7.151 -0.834 1.00 0.00 N ATOM 964 CA ALA A 74 5.476 7.788 -1.987 1.00 0.00 C ATOM 965 C ALA A 74 5.266 6.938 -3.254 1.00 0.00 C ATOM 966 O ALA A 74 6.036 6.015 -3.530 1.00 0.00 O ATOM 967 CB ALA A 74 6.961 7.993 -1.658 1.00 0.00 C ATOM 0 H ALA A 74 5.150 6.193 -0.684 1.00 0.00 H new ATOM 0 HA ALA A 74 5.028 8.761 -2.191 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.459 8.467 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.054 8.630 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.426 7.028 -1.457 1.00 0.00 H new ATOM 973 N GLU A 75 4.223 7.243 -4.029 1.00 0.00 N ATOM 974 CA GLU A 75 3.871 6.535 -5.264 1.00 0.00 C ATOM 975 C GLU A 75 4.528 7.284 -6.439 1.00 0.00 C ATOM 976 O GLU A 75 4.312 8.494 -6.575 1.00 0.00 O ATOM 977 CB GLU A 75 2.339 6.440 -5.360 1.00 0.00 C ATOM 978 CG GLU A 75 1.824 5.520 -6.477 1.00 0.00 C ATOM 979 CD GLU A 75 1.795 6.169 -7.863 1.00 0.00 C ATOM 980 OE1 GLU A 75 1.345 7.333 -7.989 1.00 0.00 O ATOM 981 OE2 GLU A 75 2.165 5.495 -8.853 1.00 0.00 O ATOM 0 H GLU A 75 3.584 8.007 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 75 4.243 5.511 -5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.950 6.084 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.935 7.440 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.453 4.631 -6.518 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.817 5.188 -6.223 1.00 0.00 H new ATOM 986 N PRO A 76 5.402 6.640 -7.234 1.00 0.00 N ATOM 987 CA PRO A 76 6.471 7.354 -7.933 1.00 0.00 C ATOM 988 C PRO A 76 6.021 8.150 -9.166 1.00 0.00 C ATOM 989 O PRO A 76 6.291 9.374 -9.181 1.00 0.00 O ATOM 990 CB PRO A 76 7.536 6.298 -8.254 1.00 0.00 C ATOM 991 CG PRO A 76 6.735 4.998 -8.323 1.00 0.00 C ATOM 992 CD PRO A 76 5.682 5.209 -7.239 1.00 0.00 C ATOM 0 HA PRO A 76 6.866 8.142 -7.292 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.041 6.510 -9.197 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.305 6.256 -7.483 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.285 4.849 -9.304 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.357 4.126 -8.122 1.00 0.00 H new ATOM 0 HD2 PRO A 76 4.781 4.634 -7.452 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.049 4.878 -6.267 1.00 0.00 H new