USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 744 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 10 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 12 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.14) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0544 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 57:sc= 1.22 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -18:sc= 0.0803 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.133 K(o=-0.13,f=-5.4!) USER MOD Single : A 54 CYS SG : rot 80:sc= -1.49 USER MOD Single : A 65 HIS : no HD1:sc= -2.98! C(o=-3!,f=-4.7!) USER MOD Single : A 67 ASN : amide:sc= -6.41! C(o=-6.4!,f=-15!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -30:sc= 1.07 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00985 USER MOD Single : A 76 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.46 K(o=-0.46,f=-1.5) USER MOD Single : A 89 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.5!) USER MOD Single : A 91 HIS : no HD1:sc= -2.78! C(o=-2.8!,f=-3.7!) USER MOD Single : A 99 SER OG : rot -49:sc= 0.668 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 28:sc= 0.228 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.193 -5.227 10.501 1.00 0.00 N ATOM 2 CA GLY A 1 -11.442 -4.910 9.106 1.00 0.00 C ATOM 3 C GLY A 1 -12.899 -5.081 8.724 1.00 0.00 C ATOM 4 O GLY A 1 -13.323 -6.171 8.341 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.183 -5.095 10.712 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.759 -4.598 11.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.458 -6.216 10.685 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.136 -3.882 8.910 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.826 -5.551 8.475 1.00 0.00 H new ATOM 8 N SER A 2 -13.668 -4.002 8.830 1.00 0.00 N ATOM 9 CA SER A 2 -15.087 -4.039 8.498 1.00 0.00 C ATOM 10 C SER A 2 -15.312 -4.723 7.153 1.00 0.00 C ATOM 11 O SER A 2 -14.362 -5.038 6.437 1.00 0.00 O ATOM 12 CB SER A 2 -15.662 -2.622 8.465 1.00 0.00 C ATOM 13 OG SER A 2 -16.071 -2.207 9.757 1.00 0.00 O ATOM 0 H SER A 2 -13.332 -3.091 9.143 1.00 0.00 H new ATOM 0 HA SER A 2 -15.601 -4.614 9.269 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.913 -1.931 8.078 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.511 -2.587 7.783 1.00 0.00 H new ATOM 0 HG SER A 2 -16.433 -1.298 9.709 1.00 0.00 H new ATOM 19 N SER A 3 -16.578 -4.951 6.817 1.00 0.00 N ATOM 20 CA SER A 3 -16.930 -5.601 5.560 1.00 0.00 C ATOM 21 C SER A 3 -16.816 -4.625 4.393 1.00 0.00 C ATOM 22 O SER A 3 -16.875 -3.410 4.577 1.00 0.00 O ATOM 23 CB SER A 3 -18.351 -6.163 5.632 1.00 0.00 C ATOM 24 OG SER A 3 -18.779 -6.632 4.366 1.00 0.00 O ATOM 0 H SER A 3 -17.377 -4.695 7.398 1.00 0.00 H new ATOM 0 HA SER A 3 -16.231 -6.421 5.395 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.387 -6.977 6.356 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.033 -5.391 5.987 1.00 0.00 H new ATOM 0 HG SER A 3 -19.689 -6.988 4.439 1.00 0.00 H new ATOM 30 N GLY A 4 -16.653 -5.167 3.190 1.00 0.00 N ATOM 31 CA GLY A 4 -16.533 -4.331 2.009 1.00 0.00 C ATOM 32 C GLY A 4 -15.801 -5.026 0.878 1.00 0.00 C ATOM 33 O GLY A 4 -14.573 -5.107 0.882 1.00 0.00 O ATOM 0 H GLY A 4 -16.602 -6.170 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.528 -4.042 1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.005 -3.413 2.269 1.00 0.00 H new ATOM 37 N SER A 5 -16.557 -5.531 -0.091 1.00 0.00 N ATOM 38 CA SER A 5 -15.974 -6.228 -1.231 1.00 0.00 C ATOM 39 C SER A 5 -14.803 -7.102 -0.792 1.00 0.00 C ATOM 40 O SER A 5 -13.774 -7.165 -1.465 1.00 0.00 O ATOM 41 CB SER A 5 -15.506 -5.223 -2.286 1.00 0.00 C ATOM 42 OG SER A 5 -16.608 -4.556 -2.878 1.00 0.00 O ATOM 0 H SER A 5 -17.575 -5.470 -0.109 1.00 0.00 H new ATOM 0 HA SER A 5 -16.742 -6.869 -1.665 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.839 -4.493 -1.827 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.933 -5.739 -3.056 1.00 0.00 H new ATOM 0 HG SER A 5 -16.283 -3.918 -3.547 1.00 0.00 H new ATOM 48 N SER A 6 -14.969 -7.776 0.341 1.00 0.00 N ATOM 49 CA SER A 6 -13.925 -8.645 0.874 1.00 0.00 C ATOM 50 C SER A 6 -14.427 -10.079 1.006 1.00 0.00 C ATOM 51 O SER A 6 -15.185 -10.402 1.920 1.00 0.00 O ATOM 52 CB SER A 6 -13.451 -8.131 2.235 1.00 0.00 C ATOM 53 OG SER A 6 -12.852 -6.852 2.117 1.00 0.00 O ATOM 0 H SER A 6 -15.816 -7.738 0.908 1.00 0.00 H new ATOM 0 HA SER A 6 -13.087 -8.635 0.177 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.296 -8.078 2.922 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.735 -8.833 2.663 1.00 0.00 H new ATOM 0 HG SER A 6 -13.486 -6.231 1.702 1.00 0.00 H new ATOM 59 N GLY A 7 -13.999 -10.937 0.084 1.00 0.00 N ATOM 60 CA GLY A 7 -14.415 -12.327 0.114 1.00 0.00 C ATOM 61 C GLY A 7 -14.333 -12.986 -1.249 1.00 0.00 C ATOM 62 O GLY A 7 -15.239 -13.719 -1.645 1.00 0.00 O ATOM 0 H GLY A 7 -13.372 -10.694 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.789 -12.875 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.439 -12.389 0.483 1.00 0.00 H new ATOM 66 N GLN A 8 -13.247 -12.722 -1.968 1.00 0.00 N ATOM 67 CA GLN A 8 -13.053 -13.294 -3.295 1.00 0.00 C ATOM 68 C GLN A 8 -11.675 -13.936 -3.416 1.00 0.00 C ATOM 69 O GLN A 8 -10.877 -13.895 -2.480 1.00 0.00 O ATOM 70 CB GLN A 8 -13.222 -12.215 -4.367 1.00 0.00 C ATOM 71 CG GLN A 8 -14.621 -11.623 -4.419 1.00 0.00 C ATOM 72 CD GLN A 8 -14.641 -10.226 -5.008 1.00 0.00 C ATOM 73 OE1 GLN A 8 -14.747 -10.053 -6.223 1.00 0.00 O ATOM 74 NE2 GLN A 8 -14.538 -9.219 -4.148 1.00 0.00 N ATOM 0 H GLN A 8 -12.489 -12.116 -1.654 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.807 -14.067 -3.444 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.505 -11.415 -4.182 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.980 -12.641 -5.341 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.265 -12.273 -5.012 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.037 -11.595 -3.412 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.452 -9.408 -3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -14.545 -8.257 -4.486 1.00 0.00 H new ATOM 83 N ALA A 9 -11.404 -14.530 -4.573 1.00 0.00 N ATOM 84 CA ALA A 9 -10.121 -15.179 -4.816 1.00 0.00 C ATOM 85 C ALA A 9 -9.163 -14.247 -5.549 1.00 0.00 C ATOM 86 O ALA A 9 -9.333 -13.977 -6.738 1.00 0.00 O ATOM 87 CB ALA A 9 -10.322 -16.463 -5.609 1.00 0.00 C ATOM 0 H ALA A 9 -12.055 -14.575 -5.357 1.00 0.00 H new ATOM 0 HA ALA A 9 -9.678 -15.425 -3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.356 -16.938 -5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.963 -17.141 -5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.790 -16.230 -6.565 1.00 0.00 H new ATOM 93 N SER A 10 -8.157 -13.756 -4.832 1.00 0.00 N ATOM 94 CA SER A 10 -7.175 -12.850 -5.414 1.00 0.00 C ATOM 95 C SER A 10 -5.777 -13.148 -4.879 1.00 0.00 C ATOM 96 O SER A 10 -5.621 -13.807 -3.853 1.00 0.00 O ATOM 97 CB SER A 10 -7.549 -11.397 -5.113 1.00 0.00 C ATOM 98 OG SER A 10 -6.876 -10.506 -5.985 1.00 0.00 O ATOM 0 H SER A 10 -8.001 -13.971 -3.847 1.00 0.00 H new ATOM 0 HA SER A 10 -7.172 -13.001 -6.493 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.626 -11.267 -5.216 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.296 -11.160 -4.080 1.00 0.00 H new ATOM 0 HG SER A 10 -7.248 -9.605 -5.883 1.00 0.00 H new ATOM 104 N GLY A 11 -4.763 -12.656 -5.585 1.00 0.00 N ATOM 105 CA GLY A 11 -3.391 -12.880 -5.167 1.00 0.00 C ATOM 106 C GLY A 11 -2.950 -11.914 -4.086 1.00 0.00 C ATOM 107 O GLY A 11 -2.123 -12.254 -3.239 1.00 0.00 O ATOM 0 H GLY A 11 -4.867 -12.107 -6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.288 -13.902 -4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.731 -12.782 -6.029 1.00 0.00 H new ATOM 111 N HIS A 12 -3.500 -10.704 -4.114 1.00 0.00 N ATOM 112 CA HIS A 12 -3.157 -9.685 -3.128 1.00 0.00 C ATOM 113 C HIS A 12 -4.239 -9.579 -2.057 1.00 0.00 C ATOM 114 O HIS A 12 -5.312 -10.170 -2.183 1.00 0.00 O ATOM 115 CB HIS A 12 -2.965 -8.331 -3.811 1.00 0.00 C ATOM 116 CG HIS A 12 -3.980 -8.046 -4.875 1.00 0.00 C ATOM 117 ND1 HIS A 12 -5.165 -7.386 -4.627 1.00 0.00 N ATOM 118 CD2 HIS A 12 -3.980 -8.335 -6.197 1.00 0.00 C ATOM 119 CE1 HIS A 12 -5.851 -7.282 -5.751 1.00 0.00 C ATOM 120 NE2 HIS A 12 -5.154 -7.850 -6.719 1.00 0.00 N ATOM 0 H HIS A 12 -4.185 -10.405 -4.808 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.223 -9.978 -2.648 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.010 -7.544 -3.058 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -1.969 -8.294 -4.252 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.202 -8.851 -6.740 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.817 -6.812 -5.860 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -5.441 -7.917 -7.695 1.00 0.00 H new ATOM 129 N PHE A 13 -3.948 -8.824 -1.003 1.00 0.00 N ATOM 130 CA PHE A 13 -4.895 -8.643 0.091 1.00 0.00 C ATOM 131 C PHE A 13 -4.975 -7.176 0.503 1.00 0.00 C ATOM 132 O PHE A 13 -4.201 -6.344 0.030 1.00 0.00 O ATOM 133 CB PHE A 13 -4.490 -9.500 1.292 1.00 0.00 C ATOM 134 CG PHE A 13 -3.100 -9.219 1.787 1.00 0.00 C ATOM 135 CD1 PHE A 13 -2.867 -8.204 2.700 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.025 -9.972 1.339 1.00 0.00 C ATOM 137 CE1 PHE A 13 -1.589 -7.943 3.157 1.00 0.00 C ATOM 138 CE2 PHE A 13 -0.745 -9.716 1.793 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.527 -8.701 2.703 1.00 0.00 C ATOM 0 H PHE A 13 -3.065 -8.328 -0.883 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.878 -8.959 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.197 -9.331 2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.564 -10.553 1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.694 -7.609 3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.190 -10.767 0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.421 -7.148 3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.084 -10.309 1.436 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.472 -8.500 3.059 1.00 0.00 H new ATOM 149 N SER A 14 -5.917 -6.866 1.388 1.00 0.00 N ATOM 150 CA SER A 14 -6.102 -5.499 1.862 1.00 0.00 C ATOM 151 C SER A 14 -5.797 -5.395 3.353 1.00 0.00 C ATOM 152 O SER A 14 -5.824 -6.391 4.075 1.00 0.00 O ATOM 153 CB SER A 14 -7.533 -5.032 1.588 1.00 0.00 C ATOM 154 OG SER A 14 -8.474 -6.020 1.971 1.00 0.00 O ATOM 0 H SER A 14 -6.564 -7.543 1.792 1.00 0.00 H new ATOM 0 HA SER A 14 -5.408 -4.856 1.322 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.728 -4.109 2.133 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.649 -4.807 0.528 1.00 0.00 H new ATOM 0 HG SER A 14 -9.381 -5.697 1.787 1.00 0.00 H new ATOM 160 N VAL A 15 -5.506 -4.180 3.807 1.00 0.00 N ATOM 161 CA VAL A 15 -5.197 -3.943 5.212 1.00 0.00 C ATOM 162 C VAL A 15 -6.036 -2.802 5.775 1.00 0.00 C ATOM 163 O VAL A 15 -6.035 -1.694 5.239 1.00 0.00 O ATOM 164 CB VAL A 15 -3.705 -3.614 5.410 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.318 -3.751 6.875 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.841 -4.512 4.537 1.00 0.00 C ATOM 0 H VAL A 15 -5.478 -3.345 3.222 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.434 -4.862 5.747 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.536 -2.580 5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.261 -3.515 6.996 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.914 -3.063 7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.501 -4.773 7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.790 -4.266 4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.012 -5.554 4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.101 -4.360 3.489 1.00 0.00 H new ATOM 176 N GLU A 16 -6.753 -3.080 6.860 1.00 0.00 N ATOM 177 CA GLU A 16 -7.598 -2.076 7.495 1.00 0.00 C ATOM 178 C GLU A 16 -7.000 -1.625 8.825 1.00 0.00 C ATOM 179 O GLU A 16 -6.687 -2.445 9.688 1.00 0.00 O ATOM 180 CB GLU A 16 -9.006 -2.630 7.718 1.00 0.00 C ATOM 181 CG GLU A 16 -9.704 -3.054 6.437 1.00 0.00 C ATOM 182 CD GLU A 16 -10.442 -1.909 5.769 1.00 0.00 C ATOM 183 OE1 GLU A 16 -9.781 -0.920 5.389 1.00 0.00 O ATOM 184 OE2 GLU A 16 -11.678 -2.004 5.626 1.00 0.00 O ATOM 0 H GLU A 16 -6.765 -3.992 7.317 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.656 -1.214 6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.948 -3.486 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.610 -1.873 8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.968 -3.461 5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.409 -3.855 6.660 1.00 0.00 H new ATOM 191 N LEU A 17 -6.844 -0.315 8.982 1.00 0.00 N ATOM 192 CA LEU A 17 -6.284 0.248 10.206 1.00 0.00 C ATOM 193 C LEU A 17 -7.137 1.405 10.714 1.00 0.00 C ATOM 194 O LEU A 17 -7.864 2.038 9.948 1.00 0.00 O ATOM 195 CB LEU A 17 -4.851 0.725 9.962 1.00 0.00 C ATOM 196 CG LEU A 17 -3.849 -0.349 9.536 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.453 0.241 9.415 1.00 0.00 C ATOM 198 CD2 LEU A 17 -3.857 -1.507 10.524 1.00 0.00 C ATOM 0 H LEU A 17 -7.097 0.377 8.277 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.276 -0.534 10.965 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.873 1.498 9.194 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.485 1.193 10.876 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.146 -0.729 8.559 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.754 -0.538 9.111 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.457 1.036 8.669 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.146 0.649 10.378 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.138 -2.262 10.205 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.585 -1.142 11.514 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.853 -1.947 10.561 1.00 0.00 H new ATOM 210 N VAL A 18 -7.043 1.678 12.012 1.00 0.00 N ATOM 211 CA VAL A 18 -7.804 2.761 12.622 1.00 0.00 C ATOM 212 C VAL A 18 -6.881 3.859 13.137 1.00 0.00 C ATOM 213 O VAL A 18 -6.105 3.646 14.069 1.00 0.00 O ATOM 214 CB VAL A 18 -8.674 2.249 13.786 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.464 3.392 14.405 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.604 1.144 13.310 1.00 0.00 C ATOM 0 H VAL A 18 -6.447 1.164 12.661 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.452 3.169 11.846 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.018 1.835 14.552 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.073 3.011 15.225 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.775 4.147 14.784 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.111 3.838 13.650 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.211 0.794 14.145 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.255 1.529 12.525 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.014 0.315 12.918 1.00 0.00 H new ATOM 226 N ARG A 19 -6.970 5.035 12.525 1.00 0.00 N ATOM 227 CA ARG A 19 -6.141 6.168 12.921 1.00 0.00 C ATOM 228 C ARG A 19 -5.975 6.215 14.437 1.00 0.00 C ATOM 229 O ARG A 19 -6.925 6.490 15.168 1.00 0.00 O ATOM 230 CB ARG A 19 -6.758 7.476 12.423 1.00 0.00 C ATOM 231 CG ARG A 19 -5.812 8.664 12.502 1.00 0.00 C ATOM 232 CD ARG A 19 -6.466 9.932 11.977 1.00 0.00 C ATOM 233 NE ARG A 19 -5.767 11.134 12.425 1.00 0.00 N ATOM 234 CZ ARG A 19 -6.175 12.367 12.148 1.00 0.00 C ATOM 235 NH1 ARG A 19 -7.271 12.561 11.427 1.00 0.00 N ATOM 236 NH2 ARG A 19 -5.485 13.411 12.591 1.00 0.00 N ATOM 0 H ARG A 19 -7.608 5.229 11.753 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.157 6.043 12.469 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.079 7.346 11.390 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.651 7.693 13.009 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.501 8.815 13.536 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.911 8.452 11.926 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.482 9.907 10.887 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.503 9.970 12.311 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.919 11.020 12.981 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.803 11.762 11.083 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.582 13.509 11.216 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.641 13.266 13.145 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.799 14.358 12.378 1.00 0.00 H new ATOM 250 N GLY A 20 -4.759 5.945 14.902 1.00 0.00 N ATOM 251 CA GLY A 20 -4.490 5.962 16.328 1.00 0.00 C ATOM 252 C GLY A 20 -4.464 7.367 16.897 1.00 0.00 C ATOM 253 O GLY A 20 -5.185 8.247 16.427 1.00 0.00 O ATOM 0 H GLY A 20 -3.956 5.715 14.317 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.251 5.378 16.845 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.532 5.478 16.520 1.00 0.00 H new ATOM 257 N TYR A 21 -3.632 7.577 17.911 1.00 0.00 N ATOM 258 CA TYR A 21 -3.518 8.884 18.547 1.00 0.00 C ATOM 259 C TYR A 21 -2.887 9.899 17.598 1.00 0.00 C ATOM 260 O TYR A 21 -3.480 10.934 17.295 1.00 0.00 O ATOM 261 CB TYR A 21 -2.686 8.781 19.827 1.00 0.00 C ATOM 262 CG TYR A 21 -2.759 10.015 20.697 1.00 0.00 C ATOM 263 CD1 TYR A 21 -2.233 11.226 20.266 1.00 0.00 C ATOM 264 CD2 TYR A 21 -3.357 9.970 21.951 1.00 0.00 C ATOM 265 CE1 TYR A 21 -2.297 12.356 21.059 1.00 0.00 C ATOM 266 CE2 TYR A 21 -3.426 11.095 22.750 1.00 0.00 C ATOM 267 CZ TYR A 21 -2.895 12.285 22.300 1.00 0.00 C ATOM 268 OH TYR A 21 -2.961 13.408 23.092 1.00 0.00 O ATOM 0 H TYR A 21 -3.027 6.859 18.310 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.522 9.225 18.800 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.026 7.920 20.403 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.646 8.596 19.560 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.766 11.286 19.294 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.775 9.040 22.307 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.881 13.289 20.709 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.894 11.042 23.722 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.414 13.189 23.933 1.00 0.00 H new ATOM 278 N ALA A 22 -1.681 9.593 17.131 1.00 0.00 N ATOM 279 CA ALA A 22 -0.970 10.475 16.215 1.00 0.00 C ATOM 280 C ALA A 22 -0.543 9.730 14.955 1.00 0.00 C ATOM 281 O ALA A 22 0.557 9.184 14.888 1.00 0.00 O ATOM 282 CB ALA A 22 0.241 11.087 16.904 1.00 0.00 C ATOM 0 H ALA A 22 -1.176 8.740 17.372 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.649 11.275 15.920 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.763 11.744 16.208 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.085 11.663 17.770 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.915 10.294 17.228 1.00 0.00 H new ATOM 288 N GLY A 23 -1.423 9.710 13.958 1.00 0.00 N ATOM 289 CA GLY A 23 -1.118 9.027 12.714 1.00 0.00 C ATOM 290 C GLY A 23 -1.338 7.530 12.805 1.00 0.00 C ATOM 291 O GLY A 23 -1.902 7.037 13.782 1.00 0.00 O ATOM 0 H GLY A 23 -2.341 10.154 13.990 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.740 9.435 11.917 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.081 9.223 12.440 1.00 0.00 H new ATOM 295 N PHE A 24 -0.894 6.805 11.784 1.00 0.00 N ATOM 296 CA PHE A 24 -1.047 5.355 11.752 1.00 0.00 C ATOM 297 C PHE A 24 0.210 4.664 12.269 1.00 0.00 C ATOM 298 O PHE A 24 0.134 3.650 12.962 1.00 0.00 O ATOM 299 CB PHE A 24 -1.352 4.885 10.328 1.00 0.00 C ATOM 300 CG PHE A 24 -2.775 5.126 9.909 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.141 6.321 9.310 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.744 4.158 10.113 1.00 0.00 C ATOM 303 CE1 PHE A 24 -4.449 6.545 8.924 1.00 0.00 C ATOM 304 CE2 PHE A 24 -5.054 4.377 9.729 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.407 5.571 9.133 1.00 0.00 C ATOM 0 H PHE A 24 -0.425 7.198 10.968 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.880 5.088 12.402 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.686 5.397 9.634 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.134 3.820 10.251 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.396 7.085 9.143 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.473 3.221 10.577 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.722 7.481 8.459 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.801 3.614 9.895 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.429 5.744 8.831 1.00 0.00 H new ATOM 315 N GLY A 25 1.368 5.220 11.927 1.00 0.00 N ATOM 316 CA GLY A 25 2.626 4.644 12.364 1.00 0.00 C ATOM 317 C GLY A 25 3.237 3.727 11.323 1.00 0.00 C ATOM 318 O GLY A 25 3.951 2.782 11.659 1.00 0.00 O ATOM 0 H GLY A 25 1.457 6.060 11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.328 5.445 12.595 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.465 4.086 13.286 1.00 0.00 H new ATOM 322 N LEU A 26 2.956 4.005 10.054 1.00 0.00 N ATOM 323 CA LEU A 26 3.482 3.197 8.960 1.00 0.00 C ATOM 324 C LEU A 26 4.330 4.044 8.016 1.00 0.00 C ATOM 325 O LEU A 26 3.884 5.082 7.525 1.00 0.00 O ATOM 326 CB LEU A 26 2.336 2.544 8.185 1.00 0.00 C ATOM 327 CG LEU A 26 2.736 1.478 7.165 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.463 0.330 7.850 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.512 0.967 6.419 1.00 0.00 C ATOM 0 H LEU A 26 2.367 4.784 9.758 1.00 0.00 H new ATOM 0 HA LEU A 26 4.114 2.419 9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.650 2.093 8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.784 3.327 7.665 1.00 0.00 H new ATOM 0 HG LEU A 26 3.414 1.931 6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.740 -0.419 7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.362 0.708 8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.809 -0.122 8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.816 0.209 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.809 0.531 7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.033 1.795 5.896 1.00 0.00 H new ATOM 341 N THR A 27 5.555 3.594 7.765 1.00 0.00 N ATOM 342 CA THR A 27 6.466 4.309 6.880 1.00 0.00 C ATOM 343 C THR A 27 6.921 3.422 5.727 1.00 0.00 C ATOM 344 O THR A 27 7.220 2.242 5.917 1.00 0.00 O ATOM 345 CB THR A 27 7.705 4.818 7.641 1.00 0.00 C ATOM 346 OG1 THR A 27 7.299 5.539 8.810 1.00 0.00 O ATOM 347 CG2 THR A 27 8.553 5.717 6.754 1.00 0.00 C ATOM 0 H THR A 27 5.939 2.737 8.162 1.00 0.00 H new ATOM 0 HA THR A 27 5.916 5.163 6.483 1.00 0.00 H new ATOM 0 HB THR A 27 8.303 3.956 7.935 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.092 5.858 9.289 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.422 6.064 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.884 5.157 5.879 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.961 6.575 6.434 1.00 0.00 H new ATOM 355 N LEU A 28 6.973 3.997 4.530 1.00 0.00 N ATOM 356 CA LEU A 28 7.394 3.258 3.344 1.00 0.00 C ATOM 357 C LEU A 28 8.864 3.521 3.032 1.00 0.00 C ATOM 358 O LEU A 28 9.360 4.630 3.221 1.00 0.00 O ATOM 359 CB LEU A 28 6.528 3.645 2.144 1.00 0.00 C ATOM 360 CG LEU A 28 5.232 2.853 1.968 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.262 3.610 1.074 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.523 1.474 1.396 1.00 0.00 C ATOM 0 H LEU A 28 6.729 4.972 4.355 1.00 0.00 H new ATOM 0 HA LEU A 28 7.270 2.194 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.276 4.702 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.125 3.532 1.239 1.00 0.00 H new ATOM 0 HG LEU A 28 4.769 2.727 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.345 3.031 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.029 4.575 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.716 3.767 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.589 0.925 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.009 1.578 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.180 0.930 2.074 1.00 0.00 H new ATOM 374 N GLY A 29 9.554 2.492 2.549 1.00 0.00 N ATOM 375 CA GLY A 29 10.959 2.633 2.216 1.00 0.00 C ATOM 376 C GLY A 29 11.251 2.274 0.772 1.00 0.00 C ATOM 377 O GLY A 29 11.277 1.098 0.411 1.00 0.00 O ATOM 0 H GLY A 29 9.165 1.564 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.272 3.660 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.551 1.995 2.873 1.00 0.00 H new ATOM 381 N GLY A 30 11.471 3.290 -0.056 1.00 0.00 N ATOM 382 CA GLY A 30 11.758 3.055 -1.460 1.00 0.00 C ATOM 383 C GLY A 30 10.813 3.804 -2.378 1.00 0.00 C ATOM 384 O GLY A 30 10.556 4.991 -2.182 1.00 0.00 O ATOM 0 H GLY A 30 11.456 4.272 0.220 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.783 3.358 -1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.691 1.987 -1.668 1.00 0.00 H new ATOM 388 N GLY A 31 10.295 3.109 -3.386 1.00 0.00 N ATOM 389 CA GLY A 31 9.380 3.733 -4.325 1.00 0.00 C ATOM 390 C GLY A 31 10.094 4.325 -5.523 1.00 0.00 C ATOM 391 O GLY A 31 11.322 4.417 -5.540 1.00 0.00 O ATOM 0 H GLY A 31 10.492 2.125 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.655 2.994 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.820 4.517 -3.815 1.00 0.00 H new ATOM 395 N ARG A 32 9.325 4.727 -6.529 1.00 0.00 N ATOM 396 CA ARG A 32 9.892 5.311 -7.739 1.00 0.00 C ATOM 397 C ARG A 32 10.431 6.712 -7.465 1.00 0.00 C ATOM 398 O ARG A 32 9.665 7.654 -7.263 1.00 0.00 O ATOM 399 CB ARG A 32 8.838 5.367 -8.846 1.00 0.00 C ATOM 400 CG ARG A 32 9.408 5.710 -10.213 1.00 0.00 C ATOM 401 CD ARG A 32 9.611 7.208 -10.372 1.00 0.00 C ATOM 402 NE ARG A 32 9.528 7.627 -11.768 1.00 0.00 N ATOM 403 CZ ARG A 32 10.445 7.327 -12.681 1.00 0.00 C ATOM 404 NH1 ARG A 32 11.508 6.610 -12.346 1.00 0.00 N ATOM 405 NH2 ARG A 32 10.299 7.745 -13.932 1.00 0.00 N ATOM 0 H ARG A 32 8.307 4.659 -6.531 1.00 0.00 H new ATOM 0 HA ARG A 32 10.718 4.679 -8.065 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.333 4.403 -8.904 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.083 6.107 -8.580 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.359 5.196 -10.351 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.735 5.348 -10.990 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.859 7.739 -9.789 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.584 7.487 -9.967 1.00 0.00 H new ATOM 0 HE ARG A 32 8.722 8.180 -12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.623 6.287 -11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.211 6.381 -13.049 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.482 8.297 -14.193 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.004 7.514 -14.632 1.00 0.00 H new ATOM 419 N ASP A 33 11.753 6.840 -7.459 1.00 0.00 N ATOM 420 CA ASP A 33 12.395 8.126 -7.210 1.00 0.00 C ATOM 421 C ASP A 33 13.325 8.500 -8.360 1.00 0.00 C ATOM 422 O ASP A 33 13.987 7.641 -8.943 1.00 0.00 O ATOM 423 CB ASP A 33 13.179 8.083 -5.898 1.00 0.00 C ATOM 424 CG ASP A 33 13.500 9.467 -5.369 1.00 0.00 C ATOM 425 OD1 ASP A 33 14.334 10.160 -5.989 1.00 0.00 O ATOM 426 OD2 ASP A 33 12.918 9.857 -4.335 1.00 0.00 O ATOM 0 H ASP A 33 12.401 6.070 -7.624 1.00 0.00 H new ATOM 0 HA ASP A 33 11.616 8.885 -7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.602 7.537 -5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.107 7.531 -6.051 1.00 0.00 H new ATOM 431 N VAL A 34 13.369 9.789 -8.683 1.00 0.00 N ATOM 432 CA VAL A 34 14.218 10.278 -9.764 1.00 0.00 C ATOM 433 C VAL A 34 15.672 9.878 -9.544 1.00 0.00 C ATOM 434 O VAL A 34 16.484 9.916 -10.468 1.00 0.00 O ATOM 435 CB VAL A 34 14.132 11.810 -9.895 1.00 0.00 C ATOM 436 CG1 VAL A 34 14.787 12.486 -8.700 1.00 0.00 C ATOM 437 CG2 VAL A 34 14.773 12.269 -11.196 1.00 0.00 C ATOM 0 H VAL A 34 12.827 10.513 -8.212 1.00 0.00 H new ATOM 0 HA VAL A 34 13.854 9.821 -10.684 1.00 0.00 H new ATOM 0 HB VAL A 34 13.081 12.098 -9.913 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.716 13.568 -8.810 1.00 0.00 H new ATOM 0 HG12 VAL A 34 14.279 12.181 -7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 34 15.836 12.194 -8.647 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.704 13.354 -11.273 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.821 11.970 -11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.254 11.812 -12.038 1.00 0.00 H new ATOM 447 N ALA A 35 15.995 9.493 -8.313 1.00 0.00 N ATOM 448 CA ALA A 35 17.352 9.083 -7.972 1.00 0.00 C ATOM 449 C ALA A 35 17.480 7.564 -7.962 1.00 0.00 C ATOM 450 O ALA A 35 18.585 7.024 -7.995 1.00 0.00 O ATOM 451 CB ALA A 35 17.753 9.658 -6.622 1.00 0.00 C ATOM 0 H ALA A 35 15.335 9.457 -7.536 1.00 0.00 H new ATOM 0 HA ALA A 35 18.026 9.473 -8.735 1.00 0.00 H new ATOM 0 HB1 ALA A 35 18.768 9.344 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.710 10.746 -6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 35 17.069 9.296 -5.855 1.00 0.00 H new ATOM 457 N GLY A 36 16.342 6.878 -7.917 1.00 0.00 N ATOM 458 CA GLY A 36 16.350 5.427 -7.902 1.00 0.00 C ATOM 459 C GLY A 36 14.953 4.840 -7.938 1.00 0.00 C ATOM 460 O GLY A 36 14.087 5.230 -7.154 1.00 0.00 O ATOM 0 H GLY A 36 15.414 7.302 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.917 5.061 -8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.864 5.079 -7.006 1.00 0.00 H new ATOM 464 N ASP A 37 14.731 3.900 -8.851 1.00 0.00 N ATOM 465 CA ASP A 37 13.429 3.258 -8.986 1.00 0.00 C ATOM 466 C ASP A 37 13.362 1.983 -8.150 1.00 0.00 C ATOM 467 O ASP A 37 14.074 1.014 -8.417 1.00 0.00 O ATOM 468 CB ASP A 37 13.146 2.935 -10.454 1.00 0.00 C ATOM 469 CG ASP A 37 14.131 1.935 -11.028 1.00 0.00 C ATOM 470 OD1 ASP A 37 15.351 2.193 -10.951 1.00 0.00 O ATOM 471 OD2 ASP A 37 13.683 0.895 -11.552 1.00 0.00 O ATOM 0 H ASP A 37 15.436 3.566 -9.508 1.00 0.00 H new ATOM 0 HA ASP A 37 12.670 3.951 -8.621 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.135 2.539 -10.547 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.184 3.854 -11.039 1.00 0.00 H new ATOM 476 N THR A 38 12.502 1.991 -7.136 1.00 0.00 N ATOM 477 CA THR A 38 12.344 0.838 -6.260 1.00 0.00 C ATOM 478 C THR A 38 10.877 0.606 -5.916 1.00 0.00 C ATOM 479 O THR A 38 10.097 1.545 -5.752 1.00 0.00 O ATOM 480 CB THR A 38 13.144 1.010 -4.955 1.00 0.00 C ATOM 481 OG1 THR A 38 12.750 2.217 -4.293 1.00 0.00 O ATOM 482 CG2 THR A 38 14.639 1.045 -5.238 1.00 0.00 C ATOM 0 H THR A 38 11.904 2.784 -6.902 1.00 0.00 H new ATOM 0 HA THR A 38 12.729 -0.026 -6.802 1.00 0.00 H new ATOM 0 HB THR A 38 12.932 0.157 -4.310 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.285 2.801 -4.928 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.184 1.167 -4.302 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.941 0.112 -5.715 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.864 1.881 -5.901 1.00 0.00 H new ATOM 490 N PRO A 39 10.490 -0.673 -5.803 1.00 0.00 N ATOM 491 CA PRO A 39 9.113 -1.058 -5.476 1.00 0.00 C ATOM 492 C PRO A 39 8.742 -0.716 -4.037 1.00 0.00 C ATOM 493 O PRO A 39 9.315 -1.260 -3.092 1.00 0.00 O ATOM 494 CB PRO A 39 9.110 -2.574 -5.684 1.00 0.00 C ATOM 495 CG PRO A 39 10.528 -2.987 -5.486 1.00 0.00 C ATOM 496 CD PRO A 39 11.366 -1.843 -5.986 1.00 0.00 C ATOM 0 HA PRO A 39 8.385 -0.529 -6.090 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.450 -3.070 -4.972 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.757 -2.836 -6.681 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.732 -3.190 -4.435 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.748 -3.902 -6.036 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.291 -1.745 -5.419 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.645 -1.976 -7.031 1.00 0.00 H new ATOM 504 N LEU A 40 7.781 0.187 -3.877 1.00 0.00 N ATOM 505 CA LEU A 40 7.333 0.601 -2.552 1.00 0.00 C ATOM 506 C LEU A 40 7.130 -0.608 -1.644 1.00 0.00 C ATOM 507 O LEU A 40 6.446 -1.564 -2.010 1.00 0.00 O ATOM 508 CB LEU A 40 6.032 1.398 -2.658 1.00 0.00 C ATOM 509 CG LEU A 40 6.183 2.910 -2.824 1.00 0.00 C ATOM 510 CD1 LEU A 40 4.828 3.560 -3.057 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.863 3.515 -1.605 1.00 0.00 C ATOM 0 H LEU A 40 7.297 0.647 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 40 8.105 1.235 -2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.463 1.015 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.439 1.208 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 40 6.809 3.099 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.956 4.636 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.378 3.149 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.178 3.361 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.962 4.592 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.263 3.315 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.851 3.072 -1.483 1.00 0.00 H new ATOM 523 N ALA A 41 7.726 -0.557 -0.457 1.00 0.00 N ATOM 524 CA ALA A 41 7.607 -1.645 0.505 1.00 0.00 C ATOM 525 C ALA A 41 7.737 -1.131 1.935 1.00 0.00 C ATOM 526 O ALA A 41 8.494 -0.197 2.202 1.00 0.00 O ATOM 527 CB ALA A 41 8.656 -2.712 0.228 1.00 0.00 C ATOM 0 H ALA A 41 8.296 0.227 -0.139 1.00 0.00 H new ATOM 0 HA ALA A 41 6.617 -2.087 0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.555 -3.519 0.954 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.514 -3.109 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.651 -2.274 0.308 1.00 0.00 H new ATOM 533 N VAL A 42 6.995 -1.745 2.850 1.00 0.00 N ATOM 534 CA VAL A 42 7.028 -1.349 4.253 1.00 0.00 C ATOM 535 C VAL A 42 8.462 -1.196 4.747 1.00 0.00 C ATOM 536 O VAL A 42 9.313 -2.047 4.488 1.00 0.00 O ATOM 537 CB VAL A 42 6.297 -2.373 5.142 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.395 -1.974 6.607 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.843 -2.508 4.714 1.00 0.00 C ATOM 0 H VAL A 42 6.363 -2.519 2.645 1.00 0.00 H new ATOM 0 HA VAL A 42 6.518 -0.388 4.323 1.00 0.00 H new ATOM 0 HB VAL A 42 6.779 -3.343 5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.873 -2.709 7.220 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.443 -1.933 6.904 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.939 -0.994 6.748 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.342 -3.235 5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.346 -1.542 4.804 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.798 -2.843 3.678 1.00 0.00 H new ATOM 549 N ARG A 43 8.723 -0.105 5.460 1.00 0.00 N ATOM 550 CA ARG A 43 10.055 0.161 5.990 1.00 0.00 C ATOM 551 C ARG A 43 10.083 -0.022 7.504 1.00 0.00 C ATOM 552 O ARG A 43 10.686 -0.966 8.014 1.00 0.00 O ATOM 553 CB ARG A 43 10.497 1.580 5.629 1.00 0.00 C ATOM 554 CG ARG A 43 12.000 1.790 5.712 1.00 0.00 C ATOM 555 CD ARG A 43 12.433 2.166 7.120 1.00 0.00 C ATOM 556 NE ARG A 43 13.870 1.996 7.314 1.00 0.00 N ATOM 557 CZ ARG A 43 14.491 2.246 8.461 1.00 0.00 C ATOM 558 NH1 ARG A 43 13.804 2.673 9.512 1.00 0.00 N ATOM 559 NH2 ARG A 43 15.803 2.067 8.560 1.00 0.00 N ATOM 0 H ARG A 43 8.030 0.609 5.684 1.00 0.00 H new ATOM 0 HA ARG A 43 10.747 -0.552 5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.162 1.809 4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.003 2.286 6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.513 0.879 5.403 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.298 2.575 5.017 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.161 3.203 7.318 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.895 1.551 7.841 1.00 0.00 H new ATOM 0 HE ARG A 43 14.427 1.667 6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.796 2.810 9.441 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.284 2.864 10.392 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.335 1.737 7.755 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.279 2.259 9.441 1.00 0.00 H new ATOM 573 N GLY A 44 9.428 0.888 8.218 1.00 0.00 N ATOM 574 CA GLY A 44 9.392 0.809 9.667 1.00 0.00 C ATOM 575 C GLY A 44 7.981 0.682 10.206 1.00 0.00 C ATOM 576 O GLY A 44 7.028 1.163 9.590 1.00 0.00 O ATOM 0 H GLY A 44 8.922 1.679 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.982 -0.047 9.996 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.860 1.699 10.088 1.00 0.00 H new ATOM 580 N LEU A 45 7.844 0.032 11.356 1.00 0.00 N ATOM 581 CA LEU A 45 6.538 -0.158 11.977 1.00 0.00 C ATOM 582 C LEU A 45 6.492 0.488 13.358 1.00 0.00 C ATOM 583 O LEU A 45 7.150 0.028 14.293 1.00 0.00 O ATOM 584 CB LEU A 45 6.217 -1.650 12.089 1.00 0.00 C ATOM 585 CG LEU A 45 5.687 -2.319 10.820 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.926 -3.820 10.869 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.207 -2.018 10.637 1.00 0.00 C ATOM 0 H LEU A 45 8.622 -0.373 11.878 1.00 0.00 H new ATOM 0 HA LEU A 45 5.790 0.323 11.346 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.121 -2.173 12.401 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.481 -1.784 12.881 1.00 0.00 H new ATOM 0 HG LEU A 45 6.228 -1.913 9.965 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.542 -4.279 9.958 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.995 -4.016 10.952 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.412 -4.242 11.732 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.847 -2.502 9.729 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.650 -2.395 11.495 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.062 -0.941 10.556 1.00 0.00 H new ATOM 599 N LEU A 46 5.711 1.555 13.481 1.00 0.00 N ATOM 600 CA LEU A 46 5.576 2.264 14.748 1.00 0.00 C ATOM 601 C LEU A 46 5.236 1.298 15.879 1.00 0.00 C ATOM 602 O LEU A 46 4.109 0.811 15.976 1.00 0.00 O ATOM 603 CB LEU A 46 4.497 3.342 14.641 1.00 0.00 C ATOM 604 CG LEU A 46 4.675 4.563 15.543 1.00 0.00 C ATOM 605 CD1 LEU A 46 4.966 4.133 16.973 1.00 0.00 C ATOM 606 CD2 LEU A 46 5.789 5.457 15.017 1.00 0.00 C ATOM 0 H LEU A 46 5.161 1.949 12.718 1.00 0.00 H new ATOM 0 HA LEU A 46 6.531 2.738 14.974 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.454 3.683 13.607 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.533 2.886 14.867 1.00 0.00 H new ATOM 0 HG LEU A 46 3.746 5.132 15.538 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.090 5.016 17.600 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.136 3.534 17.349 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.881 3.541 16.996 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.902 6.321 15.672 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.724 4.897 14.992 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.541 5.794 14.011 1.00 0.00 H new ATOM 618 N LYS A 47 6.216 1.027 16.734 1.00 0.00 N ATOM 619 CA LYS A 47 6.021 0.122 17.861 1.00 0.00 C ATOM 620 C LYS A 47 4.736 0.457 18.611 1.00 0.00 C ATOM 621 O LYS A 47 4.405 1.627 18.803 1.00 0.00 O ATOM 622 CB LYS A 47 7.216 0.198 18.814 1.00 0.00 C ATOM 623 CG LYS A 47 7.386 -1.043 19.674 1.00 0.00 C ATOM 624 CD LYS A 47 6.600 -0.935 20.970 1.00 0.00 C ATOM 625 CE LYS A 47 6.303 -2.307 21.557 1.00 0.00 C ATOM 626 NZ LYS A 47 7.469 -2.855 22.304 1.00 0.00 N ATOM 0 H LYS A 47 7.154 1.421 16.668 1.00 0.00 H new ATOM 0 HA LYS A 47 5.939 -0.893 17.471 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.125 0.355 18.233 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.099 1.066 19.462 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.054 -1.920 19.118 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.442 -1.189 19.899 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.164 -0.344 21.691 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.665 -0.406 20.787 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.444 -2.238 22.224 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.030 -2.994 20.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.227 -3.790 22.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.282 -2.945 21.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.714 -2.213 23.085 1.00 0.00 H new ATOM 640 N ASP A 48 4.017 -0.577 19.033 1.00 0.00 N ATOM 641 CA ASP A 48 2.769 -0.392 19.765 1.00 0.00 C ATOM 642 C ASP A 48 1.800 0.483 18.975 1.00 0.00 C ATOM 643 O ASP A 48 1.196 1.406 19.520 1.00 0.00 O ATOM 644 CB ASP A 48 3.043 0.235 21.132 1.00 0.00 C ATOM 645 CG ASP A 48 3.463 -0.791 22.166 1.00 0.00 C ATOM 646 OD1 ASP A 48 3.001 -1.947 22.075 1.00 0.00 O ATOM 647 OD2 ASP A 48 4.253 -0.437 23.067 1.00 0.00 O ATOM 0 H ASP A 48 4.276 -1.552 18.881 1.00 0.00 H new ATOM 0 HA ASP A 48 2.312 -1.371 19.908 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.825 0.988 21.033 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.147 0.750 21.478 1.00 0.00 H new ATOM 652 N GLY A 49 1.658 0.186 17.687 1.00 0.00 N ATOM 653 CA GLY A 49 0.762 0.955 16.843 1.00 0.00 C ATOM 654 C GLY A 49 -0.248 0.083 16.123 1.00 0.00 C ATOM 655 O GLY A 49 -0.243 -1.141 16.248 1.00 0.00 O ATOM 0 H GLY A 49 2.147 -0.573 17.213 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.235 1.689 17.452 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.346 1.510 16.109 1.00 0.00 H new ATOM 659 N PRO A 50 -1.140 0.720 15.350 1.00 0.00 N ATOM 660 CA PRO A 50 -2.179 0.014 14.594 1.00 0.00 C ATOM 661 C PRO A 50 -1.604 -0.793 13.435 1.00 0.00 C ATOM 662 O PRO A 50 -2.194 -1.783 13.003 1.00 0.00 O ATOM 663 CB PRO A 50 -3.067 1.145 14.070 1.00 0.00 C ATOM 664 CG PRO A 50 -2.172 2.335 14.015 1.00 0.00 C ATOM 665 CD PRO A 50 -1.204 2.178 15.155 1.00 0.00 C ATOM 0 HA PRO A 50 -2.710 -0.712 15.210 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.471 0.908 13.086 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.917 1.319 14.730 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.647 2.385 13.061 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.744 3.258 14.113 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.226 2.594 14.912 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.554 2.688 16.052 1.00 0.00 H new ATOM 673 N ALA A 51 -0.450 -0.363 12.936 1.00 0.00 N ATOM 674 CA ALA A 51 0.206 -1.047 11.828 1.00 0.00 C ATOM 675 C ALA A 51 0.878 -2.333 12.298 1.00 0.00 C ATOM 676 O ALA A 51 0.514 -3.427 11.868 1.00 0.00 O ATOM 677 CB ALA A 51 1.223 -0.128 11.167 1.00 0.00 C ATOM 0 H ALA A 51 0.050 0.456 13.281 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.556 -1.313 11.095 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.705 -0.652 10.342 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.718 0.760 10.787 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.976 0.167 11.898 1.00 0.00 H new ATOM 683 N GLN A 52 1.861 -2.192 13.182 1.00 0.00 N ATOM 684 CA GLN A 52 2.585 -3.343 13.708 1.00 0.00 C ATOM 685 C GLN A 52 1.621 -4.380 14.275 1.00 0.00 C ATOM 686 O GLN A 52 1.742 -5.573 13.996 1.00 0.00 O ATOM 687 CB GLN A 52 3.571 -2.901 14.790 1.00 0.00 C ATOM 688 CG GLN A 52 4.529 -3.998 15.226 1.00 0.00 C ATOM 689 CD GLN A 52 4.992 -3.833 16.660 1.00 0.00 C ATOM 690 OE1 GLN A 52 4.622 -2.874 17.338 1.00 0.00 O ATOM 691 NE2 GLN A 52 5.807 -4.770 17.131 1.00 0.00 N ATOM 0 H GLN A 52 2.174 -1.293 13.548 1.00 0.00 H new ATOM 0 HA GLN A 52 3.138 -3.799 12.887 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.147 -2.053 14.420 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.012 -2.552 15.658 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.041 -4.966 15.115 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.397 -4.001 14.566 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.088 -5.548 16.534 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.151 -4.712 18.089 1.00 0.00 H new ATOM 700 N ARG A 53 0.664 -3.917 15.072 1.00 0.00 N ATOM 701 CA ARG A 53 -0.320 -4.804 15.680 1.00 0.00 C ATOM 702 C ARG A 53 -1.104 -5.561 14.611 1.00 0.00 C ATOM 703 O ARG A 53 -1.515 -6.703 14.821 1.00 0.00 O ATOM 704 CB ARG A 53 -1.282 -4.006 16.563 1.00 0.00 C ATOM 705 CG ARG A 53 -0.690 -3.613 17.907 1.00 0.00 C ATOM 706 CD ARG A 53 -1.574 -2.610 18.632 1.00 0.00 C ATOM 707 NE ARG A 53 -2.678 -3.259 19.332 1.00 0.00 N ATOM 708 CZ ARG A 53 -3.644 -2.595 19.957 1.00 0.00 C ATOM 709 NH1 ARG A 53 -3.642 -1.269 19.968 1.00 0.00 N ATOM 710 NH2 ARG A 53 -4.616 -3.257 20.572 1.00 0.00 N ATOM 0 H ARG A 53 0.549 -2.932 15.312 1.00 0.00 H new ATOM 0 HA ARG A 53 0.213 -5.528 16.297 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.586 -3.104 16.032 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.183 -4.596 16.731 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.564 -4.502 18.525 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.302 -3.185 17.758 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.973 -2.047 19.346 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.972 -1.892 17.914 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.710 -4.278 19.342 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.897 -0.756 19.496 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.385 -0.762 20.449 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.622 -4.277 20.565 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.357 -2.746 21.052 1.00 0.00 H new ATOM 724 N CYS A 54 -1.306 -4.917 13.467 1.00 0.00 N ATOM 725 CA CYS A 54 -2.041 -5.529 12.366 1.00 0.00 C ATOM 726 C CYS A 54 -1.368 -6.820 11.913 1.00 0.00 C ATOM 727 O CYS A 54 -2.038 -7.794 11.570 1.00 0.00 O ATOM 728 CB CYS A 54 -2.144 -4.555 11.191 1.00 0.00 C ATOM 729 SG CYS A 54 -3.599 -4.808 10.148 1.00 0.00 S ATOM 0 H CYS A 54 -0.972 -3.972 13.278 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.044 -5.768 12.720 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.160 -3.536 11.578 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.249 -4.648 10.576 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.637 -4.266 10.713 1.00 0.00 H new ATOM 735 N GLY A 55 -0.039 -6.821 11.914 1.00 0.00 N ATOM 736 CA GLY A 55 0.703 -7.997 11.501 1.00 0.00 C ATOM 737 C GLY A 55 0.794 -8.125 9.993 1.00 0.00 C ATOM 738 O GLY A 55 1.852 -8.450 9.453 1.00 0.00 O ATOM 0 H GLY A 55 0.538 -6.027 12.194 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.708 -7.954 11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.225 -8.887 11.910 1.00 0.00 H new ATOM 742 N ARG A 56 -0.318 -7.871 9.311 1.00 0.00 N ATOM 743 CA ARG A 56 -0.360 -7.962 7.857 1.00 0.00 C ATOM 744 C ARG A 56 0.802 -7.197 7.230 1.00 0.00 C ATOM 745 O ARG A 56 1.413 -7.657 6.264 1.00 0.00 O ATOM 746 CB ARG A 56 -1.688 -7.416 7.328 1.00 0.00 C ATOM 747 CG ARG A 56 -2.837 -8.406 7.430 1.00 0.00 C ATOM 748 CD ARG A 56 -3.147 -8.753 8.878 1.00 0.00 C ATOM 749 NE ARG A 56 -4.161 -9.798 8.986 1.00 0.00 N ATOM 750 CZ ARG A 56 -3.887 -11.097 8.923 1.00 0.00 C ATOM 751 NH1 ARG A 56 -2.637 -11.507 8.755 1.00 0.00 N ATOM 752 NH2 ARG A 56 -4.864 -11.988 9.029 1.00 0.00 N ATOM 0 H ARG A 56 -1.202 -7.601 9.742 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.271 -9.013 7.582 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.947 -6.514 7.882 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.562 -7.125 6.285 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.724 -7.985 6.958 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.585 -9.315 6.883 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.234 -9.081 9.375 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.491 -7.859 9.399 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.132 -9.516 9.117 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.883 -10.825 8.674 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.430 -12.505 8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.827 -11.676 9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.653 -12.985 8.981 1.00 0.00 H new ATOM 766 N LEU A 57 1.102 -6.028 7.785 1.00 0.00 N ATOM 767 CA LEU A 57 2.190 -5.198 7.281 1.00 0.00 C ATOM 768 C LEU A 57 3.498 -5.521 7.998 1.00 0.00 C ATOM 769 O LEU A 57 3.593 -5.401 9.219 1.00 0.00 O ATOM 770 CB LEU A 57 1.852 -3.717 7.456 1.00 0.00 C ATOM 771 CG LEU A 57 0.489 -3.272 6.924 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.149 -1.877 7.425 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.471 -3.314 5.403 1.00 0.00 C ATOM 0 H LEU A 57 0.607 -5.633 8.585 1.00 0.00 H new ATOM 0 HA LEU A 57 2.316 -5.412 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.901 -3.477 8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.623 -3.128 6.960 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.268 -3.963 7.296 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.824 -1.578 7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.119 -1.879 8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.908 -1.173 7.084 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.506 -2.994 5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.239 -2.647 5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.668 -4.331 5.065 1.00 0.00 H new ATOM 785 N GLU A 58 4.503 -5.928 7.229 1.00 0.00 N ATOM 786 CA GLU A 58 5.805 -6.266 7.791 1.00 0.00 C ATOM 787 C GLU A 58 6.933 -5.743 6.906 1.00 0.00 C ATOM 788 O GLU A 58 6.813 -5.716 5.681 1.00 0.00 O ATOM 789 CB GLU A 58 5.935 -7.781 7.960 1.00 0.00 C ATOM 790 CG GLU A 58 4.885 -8.384 8.879 1.00 0.00 C ATOM 791 CD GLU A 58 4.992 -9.893 8.976 1.00 0.00 C ATOM 792 OE1 GLU A 58 6.020 -10.384 9.487 1.00 0.00 O ATOM 793 OE2 GLU A 58 4.047 -10.584 8.540 1.00 0.00 O ATOM 0 H GLU A 58 4.440 -6.032 6.216 1.00 0.00 H new ATOM 0 HA GLU A 58 5.884 -5.791 8.769 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.864 -8.255 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.925 -8.010 8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.987 -7.952 9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.893 -8.116 8.516 1.00 0.00 H new ATOM 800 N VAL A 59 8.028 -5.328 7.535 1.00 0.00 N ATOM 801 CA VAL A 59 9.177 -4.807 6.805 1.00 0.00 C ATOM 802 C VAL A 59 9.525 -5.697 5.618 1.00 0.00 C ATOM 803 O VAL A 59 9.958 -6.836 5.788 1.00 0.00 O ATOM 804 CB VAL A 59 10.411 -4.682 7.718 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.628 -4.246 6.915 1.00 0.00 C ATOM 806 CG2 VAL A 59 10.137 -3.709 8.855 1.00 0.00 C ATOM 0 H VAL A 59 8.143 -5.343 8.548 1.00 0.00 H new ATOM 0 HA VAL A 59 8.899 -3.817 6.443 1.00 0.00 H new ATOM 0 HB VAL A 59 10.621 -5.660 8.150 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.490 -4.163 7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.836 -4.983 6.140 1.00 0.00 H new ATOM 0 HG13 VAL A 59 11.431 -3.279 6.453 1.00 0.00 H new ATOM 0 HG21 VAL A 59 11.020 -3.633 9.490 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.900 -2.727 8.445 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.295 -4.068 9.446 1.00 0.00 H new ATOM 816 N GLY A 60 9.333 -5.170 4.413 1.00 0.00 N ATOM 817 CA GLY A 60 9.632 -5.930 3.214 1.00 0.00 C ATOM 818 C GLY A 60 8.422 -6.093 2.314 1.00 0.00 C ATOM 819 O GLY A 60 8.547 -6.094 1.089 1.00 0.00 O ATOM 0 H GLY A 60 8.975 -4.229 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.428 -5.432 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.007 -6.914 3.495 1.00 0.00 H new ATOM 823 N ASP A 61 7.249 -6.233 2.922 1.00 0.00 N ATOM 824 CA ASP A 61 6.012 -6.399 2.168 1.00 0.00 C ATOM 825 C ASP A 61 5.959 -5.428 0.993 1.00 0.00 C ATOM 826 O ASP A 61 6.222 -4.234 1.147 1.00 0.00 O ATOM 827 CB ASP A 61 4.802 -6.184 3.078 1.00 0.00 C ATOM 828 CG ASP A 61 4.413 -7.442 3.830 1.00 0.00 C ATOM 829 OD1 ASP A 61 4.457 -8.533 3.224 1.00 0.00 O ATOM 830 OD2 ASP A 61 4.066 -7.335 5.025 1.00 0.00 O ATOM 0 H ASP A 61 7.129 -6.235 3.935 1.00 0.00 H new ATOM 0 HA ASP A 61 5.987 -7.416 1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.024 -5.391 3.792 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.956 -5.846 2.479 1.00 0.00 H new ATOM 835 N LEU A 62 5.616 -5.947 -0.182 1.00 0.00 N ATOM 836 CA LEU A 62 5.529 -5.126 -1.384 1.00 0.00 C ATOM 837 C LEU A 62 4.116 -4.582 -1.571 1.00 0.00 C ATOM 838 O LEU A 62 3.133 -5.298 -1.379 1.00 0.00 O ATOM 839 CB LEU A 62 5.940 -5.940 -2.612 1.00 0.00 C ATOM 840 CG LEU A 62 7.161 -6.844 -2.440 1.00 0.00 C ATOM 841 CD1 LEU A 62 7.196 -7.908 -3.526 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.441 -6.021 -2.455 1.00 0.00 C ATOM 0 H LEU A 62 5.394 -6.932 -0.327 1.00 0.00 H new ATOM 0 HA LEU A 62 6.211 -4.283 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.094 -6.559 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.137 -5.249 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 62 7.085 -7.343 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.072 -8.541 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.294 -8.518 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.247 -7.429 -4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.299 -6.681 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.523 -5.493 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.419 -5.298 -1.639 1.00 0.00 H new ATOM 854 N VAL A 63 4.022 -3.311 -1.949 1.00 0.00 N ATOM 855 CA VAL A 63 2.729 -2.672 -2.165 1.00 0.00 C ATOM 856 C VAL A 63 2.413 -2.560 -3.653 1.00 0.00 C ATOM 857 O VAL A 63 3.255 -2.138 -4.447 1.00 0.00 O ATOM 858 CB VAL A 63 2.686 -1.267 -1.535 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.247 -0.814 -1.340 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.442 -1.251 -0.216 1.00 0.00 C ATOM 0 H VAL A 63 4.825 -2.704 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 63 1.980 -3.301 -1.684 1.00 0.00 H new ATOM 0 HB VAL A 63 3.173 -0.568 -2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.236 0.180 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.741 -0.785 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.732 -1.513 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.401 -0.251 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.986 -1.962 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.482 -1.529 -0.389 1.00 0.00 H new ATOM 870 N LEU A 64 1.196 -2.940 -4.023 1.00 0.00 N ATOM 871 CA LEU A 64 0.767 -2.882 -5.416 1.00 0.00 C ATOM 872 C LEU A 64 -0.250 -1.765 -5.627 1.00 0.00 C ATOM 873 O LEU A 64 -0.341 -1.191 -6.713 1.00 0.00 O ATOM 874 CB LEU A 64 0.164 -4.222 -5.841 1.00 0.00 C ATOM 875 CG LEU A 64 1.077 -5.442 -5.707 1.00 0.00 C ATOM 876 CD1 LEU A 64 0.271 -6.727 -5.813 1.00 0.00 C ATOM 877 CD2 LEU A 64 2.172 -5.408 -6.764 1.00 0.00 C ATOM 0 H LEU A 64 0.488 -3.292 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 64 1.642 -2.673 -6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.734 -4.398 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.152 -4.142 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 64 1.547 -5.413 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.938 -7.584 -5.715 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.475 -6.755 -5.019 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.228 -6.764 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.812 -6.283 -6.653 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.720 -5.412 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.769 -4.504 -6.640 1.00 0.00 H new ATOM 889 N HIS A 65 -1.011 -1.459 -4.581 1.00 0.00 N ATOM 890 CA HIS A 65 -2.020 -0.408 -4.651 1.00 0.00 C ATOM 891 C HIS A 65 -2.287 0.181 -3.269 1.00 0.00 C ATOM 892 O HIS A 65 -1.854 -0.368 -2.256 1.00 0.00 O ATOM 893 CB HIS A 65 -3.318 -0.956 -5.245 1.00 0.00 C ATOM 894 CG HIS A 65 -3.137 -1.606 -6.583 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.644 -0.938 -7.684 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.385 -2.872 -6.992 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.598 -1.764 -8.713 1.00 0.00 C ATOM 898 NE2 HIS A 65 -3.042 -2.944 -8.320 1.00 0.00 N ATOM 0 H HIS A 65 -0.948 -1.924 -3.675 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.640 0.384 -5.297 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.747 -1.681 -4.553 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.037 -0.142 -5.340 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.779 -3.675 -6.387 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.256 -1.517 -9.707 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.118 -3.774 -8.908 1.00 0.00 H new ATOM 907 N ILE A 66 -3.002 1.300 -3.237 1.00 0.00 N ATOM 908 CA ILE A 66 -3.327 1.962 -1.980 1.00 0.00 C ATOM 909 C ILE A 66 -4.638 2.734 -2.088 1.00 0.00 C ATOM 910 O ILE A 66 -4.852 3.483 -3.040 1.00 0.00 O ATOM 911 CB ILE A 66 -2.209 2.929 -1.547 1.00 0.00 C ATOM 912 CG1 ILE A 66 -0.938 2.151 -1.200 1.00 0.00 C ATOM 913 CG2 ILE A 66 -2.663 3.767 -0.361 1.00 0.00 C ATOM 914 CD1 ILE A 66 0.260 3.036 -0.939 1.00 0.00 C ATOM 0 H ILE A 66 -3.367 1.767 -4.067 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.430 1.179 -1.229 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.987 3.599 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.126 1.539 -0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.705 1.469 -2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.862 4.445 -0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.544 4.345 -0.640 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.909 3.112 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.124 2.417 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.474 3.630 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE A 66 0.046 3.700 -0.102 1.00 0.00 H new ATOM 926 N ASN A 67 -5.511 2.548 -1.103 1.00 0.00 N ATOM 927 CA ASN A 67 -6.801 3.228 -1.087 1.00 0.00 C ATOM 928 C ASN A 67 -7.577 2.955 -2.372 1.00 0.00 C ATOM 929 O ASN A 67 -8.166 3.861 -2.958 1.00 0.00 O ATOM 930 CB ASN A 67 -6.604 4.735 -0.908 1.00 0.00 C ATOM 931 CG ASN A 67 -5.620 5.062 0.199 1.00 0.00 C ATOM 932 OD1 ASN A 67 -4.693 5.849 0.007 1.00 0.00 O ATOM 933 ND2 ASN A 67 -5.817 4.456 1.364 1.00 0.00 N ATOM 0 H ASN A 67 -5.349 1.932 -0.306 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.377 2.840 -0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.250 5.166 -1.844 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.564 5.200 -0.686 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.186 4.636 2.145 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.599 3.811 1.478 1.00 0.00 H new ATOM 940 N GLY A 68 -7.572 1.697 -2.804 1.00 0.00 N ATOM 941 CA GLY A 68 -8.279 1.326 -4.016 1.00 0.00 C ATOM 942 C GLY A 68 -7.829 2.131 -5.219 1.00 0.00 C ATOM 943 O GLY A 68 -8.569 2.271 -6.191 1.00 0.00 O ATOM 0 H GLY A 68 -7.091 0.929 -2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.123 0.265 -4.214 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.349 1.469 -3.867 1.00 0.00 H new ATOM 947 N GLU A 69 -6.612 2.664 -5.151 1.00 0.00 N ATOM 948 CA GLU A 69 -6.067 3.462 -6.243 1.00 0.00 C ATOM 949 C GLU A 69 -4.951 2.709 -6.962 1.00 0.00 C ATOM 950 O GLU A 69 -4.591 1.596 -6.579 1.00 0.00 O ATOM 951 CB GLU A 69 -5.538 4.796 -5.714 1.00 0.00 C ATOM 952 CG GLU A 69 -6.614 5.677 -5.101 1.00 0.00 C ATOM 953 CD GLU A 69 -6.303 7.156 -5.234 1.00 0.00 C ATOM 954 OE1 GLU A 69 -5.447 7.508 -6.072 1.00 0.00 O ATOM 955 OE2 GLU A 69 -6.915 7.960 -4.500 1.00 0.00 O ATOM 0 H GLU A 69 -5.986 2.558 -4.352 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.870 3.654 -6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.770 4.602 -4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.059 5.337 -6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.569 5.466 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.726 5.427 -4.046 1.00 0.00 H new ATOM 962 N SER A 70 -4.409 3.325 -8.008 1.00 0.00 N ATOM 963 CA SER A 70 -3.338 2.712 -8.785 1.00 0.00 C ATOM 964 C SER A 70 -2.026 3.466 -8.589 1.00 0.00 C ATOM 965 O SER A 70 -1.855 4.579 -9.087 1.00 0.00 O ATOM 966 CB SER A 70 -3.707 2.684 -10.269 1.00 0.00 C ATOM 967 OG SER A 70 -4.530 1.571 -10.569 1.00 0.00 O ATOM 0 H SER A 70 -4.694 4.248 -8.337 1.00 0.00 H new ATOM 0 HA SER A 70 -3.206 1.689 -8.432 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.225 3.605 -10.536 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.800 2.642 -10.872 1.00 0.00 H new ATOM 0 HG SER A 70 -4.753 1.577 -11.523 1.00 0.00 H new ATOM 973 N THR A 71 -1.100 2.850 -7.860 1.00 0.00 N ATOM 974 CA THR A 71 0.197 3.462 -7.596 1.00 0.00 C ATOM 975 C THR A 71 1.118 3.339 -8.804 1.00 0.00 C ATOM 976 O THR A 71 2.307 3.645 -8.722 1.00 0.00 O ATOM 977 CB THR A 71 0.882 2.821 -6.375 1.00 0.00 C ATOM 978 OG1 THR A 71 2.121 3.485 -6.104 1.00 0.00 O ATOM 979 CG2 THR A 71 1.136 1.340 -6.612 1.00 0.00 C ATOM 0 H THR A 71 -1.224 1.928 -7.442 1.00 0.00 H new ATOM 0 HA THR A 71 0.013 4.516 -7.388 1.00 0.00 H new ATOM 0 HB THR A 71 0.218 2.927 -5.517 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.495 3.833 -6.940 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.621 0.909 -5.736 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.188 0.832 -6.789 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.782 1.216 -7.481 1.00 0.00 H new ATOM 987 N GLN A 72 0.561 2.891 -9.925 1.00 0.00 N ATOM 988 CA GLN A 72 1.335 2.728 -11.150 1.00 0.00 C ATOM 989 C GLN A 72 1.920 4.061 -11.605 1.00 0.00 C ATOM 990 O GLN A 72 2.972 4.103 -12.242 1.00 0.00 O ATOM 991 CB GLN A 72 0.459 2.138 -12.256 1.00 0.00 C ATOM 992 CG GLN A 72 1.198 1.920 -13.567 1.00 0.00 C ATOM 993 CD GLN A 72 0.436 1.026 -14.525 1.00 0.00 C ATOM 994 OE1 GLN A 72 -0.467 1.478 -15.230 1.00 0.00 O ATOM 995 NE2 GLN A 72 0.798 -0.251 -14.557 1.00 0.00 N ATOM 0 H GLN A 72 -0.423 2.635 -10.010 1.00 0.00 H new ATOM 0 HA GLN A 72 2.157 2.043 -10.943 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.051 1.186 -11.916 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.387 2.803 -12.432 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.379 2.884 -14.042 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.173 1.478 -13.361 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.552 -0.583 -13.955 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.322 -0.900 -15.183 1.00 0.00 H new ATOM 1004 N GLY A 73 1.231 5.148 -11.274 1.00 0.00 N ATOM 1005 CA GLY A 73 1.698 6.468 -11.658 1.00 0.00 C ATOM 1006 C GLY A 73 1.775 7.420 -10.481 1.00 0.00 C ATOM 1007 O GLY A 73 1.672 8.636 -10.648 1.00 0.00 O ATOM 0 H GLY A 73 0.358 5.139 -10.747 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.683 6.382 -12.117 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.029 6.881 -12.413 1.00 0.00 H new ATOM 1011 N LEU A 74 1.956 6.868 -9.286 1.00 0.00 N ATOM 1012 CA LEU A 74 2.046 7.676 -8.075 1.00 0.00 C ATOM 1013 C LEU A 74 3.404 7.501 -7.403 1.00 0.00 C ATOM 1014 O LEU A 74 3.799 6.387 -7.057 1.00 0.00 O ATOM 1015 CB LEU A 74 0.929 7.297 -7.101 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.498 7.423 -7.635 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.463 6.623 -6.773 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.919 8.884 -7.694 1.00 0.00 C ATOM 0 H LEU A 74 2.043 5.864 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 74 1.934 8.723 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.087 6.267 -6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.020 7.923 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.524 7.017 -8.646 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.474 6.725 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.174 5.572 -6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.434 6.998 -5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.937 8.954 -8.076 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.876 9.316 -6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.245 9.430 -8.354 1.00 0.00 H new ATOM 1030 N THR A 75 4.115 8.609 -7.218 1.00 0.00 N ATOM 1031 CA THR A 75 5.428 8.578 -6.586 1.00 0.00 C ATOM 1032 C THR A 75 5.306 8.441 -5.073 1.00 0.00 C ATOM 1033 O THR A 75 4.202 8.416 -4.528 1.00 0.00 O ATOM 1034 CB THR A 75 6.237 9.848 -6.912 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.431 11.012 -6.697 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.727 9.823 -8.352 1.00 0.00 C ATOM 0 H THR A 75 3.803 9.539 -7.497 1.00 0.00 H new ATOM 0 HA THR A 75 5.952 7.710 -6.985 1.00 0.00 H new ATOM 0 HB THR A 75 7.103 9.880 -6.251 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.953 11.815 -6.905 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.295 10.730 -8.559 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.365 8.952 -8.504 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.872 9.769 -9.026 1.00 0.00 H new ATOM 1044 N HIS A 76 6.448 8.352 -4.398 1.00 0.00 N ATOM 1045 CA HIS A 76 6.469 8.218 -2.946 1.00 0.00 C ATOM 1046 C HIS A 76 5.612 9.295 -2.288 1.00 0.00 C ATOM 1047 O HIS A 76 4.812 9.008 -1.399 1.00 0.00 O ATOM 1048 CB HIS A 76 7.905 8.304 -2.425 1.00 0.00 C ATOM 1049 CG HIS A 76 8.015 8.131 -0.942 1.00 0.00 C ATOM 1050 ND1 HIS A 76 9.001 8.730 -0.186 1.00 0.00 N ATOM 1051 CD2 HIS A 76 7.255 7.424 -0.074 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.844 8.396 1.082 1.00 0.00 C ATOM 1053 NE2 HIS A 76 7.791 7.604 1.178 1.00 0.00 N ATOM 0 H HIS A 76 7.370 8.370 -4.833 1.00 0.00 H new ATOM 0 HA HIS A 76 6.055 7.243 -2.690 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.508 7.541 -2.917 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.326 9.270 -2.702 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.388 6.829 -0.320 1.00 0.00 H new ATOM 0 HE1 HIS A 76 9.470 8.716 1.902 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.434 7.193 2.041 1.00 0.00 H new ATOM 1062 N ALA A 77 5.786 10.536 -2.732 1.00 0.00 N ATOM 1063 CA ALA A 77 5.028 11.655 -2.188 1.00 0.00 C ATOM 1064 C ALA A 77 3.534 11.482 -2.442 1.00 0.00 C ATOM 1065 O ALA A 77 2.719 11.643 -1.534 1.00 0.00 O ATOM 1066 CB ALA A 77 5.518 12.966 -2.786 1.00 0.00 C ATOM 0 H ALA A 77 6.446 10.791 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 77 5.187 11.678 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.943 13.793 -2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.573 13.102 -2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.390 12.943 -3.868 1.00 0.00 H new ATOM 1072 N GLN A 78 3.184 11.154 -3.681 1.00 0.00 N ATOM 1073 CA GLN A 78 1.787 10.960 -4.054 1.00 0.00 C ATOM 1074 C GLN A 78 1.147 9.861 -3.213 1.00 0.00 C ATOM 1075 O GLN A 78 0.165 10.096 -2.510 1.00 0.00 O ATOM 1076 CB GLN A 78 1.678 10.612 -5.539 1.00 0.00 C ATOM 1077 CG GLN A 78 1.874 11.806 -6.460 1.00 0.00 C ATOM 1078 CD GLN A 78 0.918 12.943 -6.154 1.00 0.00 C ATOM 1079 OE1 GLN A 78 -0.151 12.733 -5.580 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.300 14.156 -6.535 1.00 0.00 N ATOM 0 H GLN A 78 3.847 11.017 -4.444 1.00 0.00 H new ATOM 0 HA GLN A 78 1.254 11.892 -3.867 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.420 9.851 -5.781 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.699 10.173 -5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.899 12.165 -6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 78 1.736 11.489 -7.494 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.195 14.284 -7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.699 14.960 -6.355 1.00 0.00 H new ATOM 1089 N ALA A 79 1.710 8.659 -3.291 1.00 0.00 N ATOM 1090 CA ALA A 79 1.195 7.524 -2.536 1.00 0.00 C ATOM 1091 C ALA A 79 0.858 7.924 -1.104 1.00 0.00 C ATOM 1092 O ALA A 79 -0.248 7.676 -0.623 1.00 0.00 O ATOM 1093 CB ALA A 79 2.203 6.384 -2.544 1.00 0.00 C ATOM 0 H ALA A 79 2.523 8.447 -3.870 1.00 0.00 H new ATOM 0 HA ALA A 79 0.277 7.186 -3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.805 5.543 -1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.391 6.072 -3.571 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.135 6.720 -2.090 1.00 0.00 H new ATOM 1099 N VAL A 80 1.818 8.545 -0.426 1.00 0.00 N ATOM 1100 CA VAL A 80 1.622 8.980 0.952 1.00 0.00 C ATOM 1101 C VAL A 80 0.397 9.879 1.075 1.00 0.00 C ATOM 1102 O VAL A 80 -0.367 9.773 2.034 1.00 0.00 O ATOM 1103 CB VAL A 80 2.855 9.736 1.482 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.612 10.225 2.901 1.00 0.00 C ATOM 1105 CG2 VAL A 80 4.091 8.851 1.418 1.00 0.00 C ATOM 0 H VAL A 80 2.739 8.758 -0.809 1.00 0.00 H new ATOM 0 HA VAL A 80 1.471 8.081 1.550 1.00 0.00 H new ATOM 0 HB VAL A 80 3.026 10.606 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.494 10.757 3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.754 10.897 2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.414 9.372 3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.952 9.401 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.933 7.961 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.274 8.556 0.385 1.00 0.00 H new ATOM 1115 N GLU A 81 0.216 10.762 0.098 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.917 11.679 0.099 1.00 0.00 C ATOM 1117 C GLU A 81 -2.233 10.918 -0.033 1.00 0.00 C ATOM 1118 O GLU A 81 -3.299 11.439 0.294 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.784 12.691 -1.042 1.00 0.00 C ATOM 1120 CG GLU A 81 -2.004 13.580 -1.212 1.00 0.00 C ATOM 1121 CD GLU A 81 -1.716 14.811 -2.051 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -1.671 14.686 -3.292 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -1.536 15.898 -1.464 1.00 0.00 O ATOM 0 H GLU A 81 0.839 10.861 -0.703 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.919 12.212 1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.089 13.318 -0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.603 12.154 -1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.805 13.006 -1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.363 13.890 -0.231 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.149 9.683 -0.515 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.333 8.850 -0.693 1.00 0.00 C ATOM 1132 C ARG A 82 -3.787 8.260 0.639 1.00 0.00 C ATOM 1133 O ARG A 82 -4.982 8.207 0.930 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.047 7.726 -1.690 1.00 0.00 C ATOM 1135 CG ARG A 82 -2.561 8.220 -3.043 1.00 0.00 C ATOM 1136 CD ARG A 82 -3.658 8.961 -3.792 1.00 0.00 C ATOM 1137 NE ARG A 82 -3.124 9.769 -4.884 1.00 0.00 N ATOM 1138 CZ ARG A 82 -3.819 10.715 -5.506 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -5.069 10.970 -5.144 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -3.264 11.409 -6.491 1.00 0.00 N ATOM 0 H ARG A 82 -1.274 9.237 -0.789 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.133 9.478 -1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.297 7.058 -1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.954 7.138 -1.832 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.704 8.879 -2.905 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.219 7.374 -3.639 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.375 8.242 -4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.201 9.603 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 82 -2.165 9.598 -5.186 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -5.499 10.439 -4.386 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.601 11.697 -5.623 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.302 11.217 -6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.799 12.135 -6.968 1.00 0.00 H new ATOM 1154 N ILE A 83 -2.826 7.817 1.443 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.127 7.232 2.743 1.00 0.00 C ATOM 1156 C ILE A 83 -3.685 8.279 3.701 1.00 0.00 C ATOM 1157 O ILE A 83 -4.707 8.058 4.351 1.00 0.00 O ATOM 1158 CB ILE A 83 -1.878 6.589 3.374 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.268 5.562 2.417 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.232 5.938 4.703 1.00 0.00 C ATOM 1161 CD1 ILE A 83 0.202 5.304 2.665 1.00 0.00 C ATOM 0 H ILE A 83 -1.832 7.852 1.216 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.878 6.460 2.575 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.139 7.369 3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.814 4.623 2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.400 5.909 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.339 5.488 5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.626 6.692 5.384 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.985 5.167 4.541 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.568 4.566 1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.760 6.233 2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.339 4.927 3.678 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.008 9.419 3.782 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.436 10.501 4.661 1.00 0.00 C ATOM 1175 C ARG A 84 -4.861 10.938 4.331 1.00 0.00 C ATOM 1176 O ARG A 84 -5.696 11.089 5.222 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.485 11.693 4.538 1.00 0.00 C ATOM 1178 CG ARG A 84 -2.665 12.487 3.254 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.636 13.601 3.139 1.00 0.00 C ATOM 1180 NE ARG A 84 -1.989 14.758 3.956 1.00 0.00 N ATOM 1181 CZ ARG A 84 -1.681 14.871 5.243 1.00 0.00 C ATOM 1182 NH1 ARG A 84 -1.017 13.901 5.856 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -2.036 15.956 5.919 1.00 0.00 N ATOM 0 H ARG A 84 -2.161 9.618 3.250 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.415 10.132 5.686 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.636 12.357 5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.457 11.334 4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.577 11.819 2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.668 12.912 3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.660 13.226 3.445 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.548 13.907 2.096 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.500 15.522 3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.742 13.066 5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.781 13.990 6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.546 16.705 5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.799 16.041 6.907 1.00 0.00 H new ATOM 1197 N ALA A 85 -5.130 11.140 3.045 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.452 11.557 2.598 1.00 0.00 C ATOM 1199 C ALA A 85 -7.448 10.405 2.679 1.00 0.00 C ATOM 1200 O ALA A 85 -8.660 10.619 2.700 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.383 12.098 1.178 1.00 0.00 C ATOM 0 H ALA A 85 -4.449 11.021 2.295 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.799 12.350 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.378 12.406 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.711 12.955 1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.011 11.321 0.510 1.00 0.00 H new ATOM 1207 N GLY A 86 -6.929 9.182 2.724 1.00 0.00 N ATOM 1208 CA GLY A 86 -7.787 8.014 2.802 1.00 0.00 C ATOM 1209 C GLY A 86 -8.943 8.207 3.763 1.00 0.00 C ATOM 1210 O GLY A 86 -10.023 7.650 3.567 1.00 0.00 O ATOM 0 H GLY A 86 -5.930 8.979 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.177 7.787 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.197 7.154 3.117 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.717 8.998 4.808 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.757 9.247 5.789 1.00 0.00 C ATOM 1216 C GLY A 87 -9.485 8.556 7.110 1.00 0.00 C ATOM 1217 O GLY A 87 -8.337 8.305 7.479 1.00 0.00 O ATOM 0 H GLY A 87 -7.832 9.471 4.992 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.846 10.321 5.956 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.714 8.906 5.394 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.559 8.240 7.849 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.455 7.571 9.149 1.00 0.00 C ATOM 1223 C PRO A 88 -9.994 6.123 9.022 1.00 0.00 C ATOM 1224 O PRO A 88 -9.355 5.585 9.925 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.885 7.631 9.693 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.747 7.727 8.482 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.956 8.509 7.471 1.00 0.00 C ATOM 0 HA PRO A 88 -9.717 8.048 9.795 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.123 6.743 10.279 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.024 8.492 10.347 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.996 6.737 8.101 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.688 8.226 8.712 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.167 8.180 6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.187 9.573 7.516 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.323 5.499 7.895 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.942 4.113 7.651 1.00 0.00 C ATOM 1237 C GLN A 89 -8.830 4.030 6.609 1.00 0.00 C ATOM 1238 O GLN A 89 -8.891 4.683 5.567 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.153 3.303 7.187 1.00 0.00 C ATOM 1240 CG GLN A 89 -12.092 2.912 8.316 1.00 0.00 C ATOM 1241 CD GLN A 89 -13.416 2.371 7.814 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -13.729 2.468 6.627 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -14.203 1.797 8.717 1.00 0.00 N ATOM 0 H GLN A 89 -10.852 5.931 7.137 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.571 3.694 8.587 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.707 3.884 6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.805 2.400 6.686 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.610 2.160 8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.275 3.781 8.948 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.904 1.738 9.690 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.106 1.415 8.437 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.816 3.223 6.898 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.689 3.054 5.987 1.00 0.00 C ATOM 1254 C LEU A 90 -6.809 1.747 5.209 1.00 0.00 C ATOM 1255 O LEU A 90 -7.100 0.696 5.782 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.371 3.080 6.763 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.226 2.259 6.168 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.884 2.885 6.515 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.289 0.821 6.662 1.00 0.00 C ATOM 0 H LEU A 90 -7.751 2.675 7.756 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.701 3.881 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.043 4.116 6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.561 2.722 7.775 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.332 2.255 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.081 2.287 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.840 3.897 6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.768 2.920 7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.467 0.251 6.229 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.208 0.806 7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.237 0.375 6.363 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.581 1.819 3.902 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.660 0.640 3.046 1.00 0.00 C ATOM 1273 C HIS A 91 -5.404 0.504 2.191 1.00 0.00 C ATOM 1274 O HIS A 91 -5.143 1.330 1.316 1.00 0.00 O ATOM 1275 CB HIS A 91 -7.896 0.718 2.148 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.373 -0.618 1.668 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.060 -1.126 0.425 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.143 -1.552 2.272 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.619 -2.315 0.285 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.281 -2.597 1.392 1.00 0.00 N ATOM 0 H HIS A 91 -6.340 2.681 3.412 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.739 -0.239 3.686 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.702 1.207 2.695 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.669 1.345 1.286 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.570 -1.488 3.262 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.547 -2.948 -0.587 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.809 -3.452 1.565 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.629 -0.544 2.451 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.399 -0.789 1.706 1.00 0.00 C ATOM 1291 C LEU A 92 -3.401 -2.186 1.096 1.00 0.00 C ATOM 1292 O LEU A 92 -3.730 -3.167 1.764 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.184 -0.621 2.620 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.173 0.631 3.499 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -0.919 0.669 4.358 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.272 1.885 2.642 1.00 0.00 C ATOM 0 H LEU A 92 -4.831 -1.237 3.172 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.342 -0.060 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.118 -1.496 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.287 -0.614 2.001 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.040 0.596 4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.929 1.567 4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.890 -0.213 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.038 0.680 3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.263 2.766 3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.425 1.926 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.200 1.862 2.070 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.029 -2.271 -0.178 1.00 0.00 N ATOM 1309 CA VAL A 93 -2.984 -3.549 -0.878 1.00 0.00 C ATOM 1310 C VAL A 93 -1.567 -4.111 -0.908 1.00 0.00 C ATOM 1311 O VAL A 93 -0.688 -3.568 -1.578 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.503 -3.417 -2.322 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.882 -4.780 -2.881 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.685 -2.461 -2.378 1.00 0.00 C ATOM 0 H VAL A 93 -2.754 -1.469 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.631 -4.233 -0.328 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.704 -3.007 -2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.246 -4.666 -3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.007 -5.430 -2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.664 -5.222 -2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.039 -2.380 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.489 -2.839 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.375 -1.478 -2.022 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.353 -5.200 -0.178 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.042 -5.836 -0.122 1.00 0.00 C ATOM 1326 C ILE A 94 -0.096 -7.255 -0.678 1.00 0.00 C ATOM 1327 O ILE A 94 -1.114 -7.937 -0.569 1.00 0.00 O ATOM 1328 CB ILE A 94 0.501 -5.881 1.318 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.587 -4.468 1.899 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.864 -6.556 1.349 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.796 -3.693 1.426 1.00 0.00 C ATOM 0 H ILE A 94 -2.070 -5.660 0.383 1.00 0.00 H new ATOM 0 HA ILE A 94 0.628 -5.233 -0.735 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.186 -6.464 1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.315 -3.918 1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.609 -4.532 2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.235 -6.580 2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.774 -7.575 0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.561 -5.997 0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.792 -2.701 1.878 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.704 -4.221 1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.765 -3.597 0.341 1.00 0.00 H new ATOM 1343 N ARG A 95 1.009 -7.693 -1.273 1.00 0.00 N ATOM 1344 CA ARG A 95 1.088 -9.032 -1.846 1.00 0.00 C ATOM 1345 C ARG A 95 2.438 -9.675 -1.541 1.00 0.00 C ATOM 1346 O ARG A 95 3.487 -9.140 -1.900 1.00 0.00 O ATOM 1347 CB ARG A 95 0.868 -8.976 -3.359 1.00 0.00 C ATOM 1348 CG ARG A 95 1.242 -10.263 -4.077 1.00 0.00 C ATOM 1349 CD ARG A 95 1.374 -10.046 -5.576 1.00 0.00 C ATOM 1350 NE ARG A 95 2.511 -9.192 -5.908 1.00 0.00 N ATOM 1351 CZ ARG A 95 2.958 -9.012 -7.146 1.00 0.00 C ATOM 1352 NH1 ARG A 95 2.368 -9.624 -8.163 1.00 0.00 N ATOM 1353 NH2 ARG A 95 3.999 -8.219 -7.368 1.00 0.00 N ATOM 0 H ARG A 95 1.861 -7.141 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 95 0.305 -9.640 -1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.180 -8.751 -3.557 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.454 -8.156 -3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.183 -10.643 -3.679 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.484 -11.022 -3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 95 1.487 -11.009 -6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.458 -9.595 -5.959 1.00 0.00 H new ATOM 0 HE ARG A 95 2.988 -8.707 -5.148 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.569 -10.235 -7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.713 -9.484 -9.112 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.456 -7.747 -6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.342 -8.081 -8.319 1.00 0.00 H new ATOM 1367 N ARG A 96 2.403 -10.824 -0.875 1.00 0.00 N ATOM 1368 CA ARG A 96 3.623 -11.539 -0.520 1.00 0.00 C ATOM 1369 C ARG A 96 4.290 -12.126 -1.760 1.00 0.00 C ATOM 1370 O ARG A 96 3.695 -12.906 -2.504 1.00 0.00 O ATOM 1371 CB ARG A 96 3.314 -12.653 0.482 1.00 0.00 C ATOM 1372 CG ARG A 96 4.523 -13.499 0.845 1.00 0.00 C ATOM 1373 CD ARG A 96 5.304 -12.888 1.999 1.00 0.00 C ATOM 1374 NE ARG A 96 4.499 -12.791 3.214 1.00 0.00 N ATOM 1375 CZ ARG A 96 4.995 -12.457 4.400 1.00 0.00 C ATOM 1376 NH1 ARG A 96 6.287 -12.189 4.529 1.00 0.00 N ATOM 1377 NH2 ARG A 96 4.199 -12.390 5.459 1.00 0.00 N ATOM 0 H ARG A 96 1.543 -11.280 -0.570 1.00 0.00 H new ATOM 0 HA ARG A 96 4.310 -10.828 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.905 -12.210 1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.541 -13.299 0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.198 -14.503 1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.173 -13.598 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.189 -13.492 2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.653 -11.895 1.715 1.00 0.00 H new ATOM 0 HE ARG A 96 3.501 -12.991 3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.902 -12.239 3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.666 -11.933 5.441 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.204 -12.595 5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.581 -12.133 6.369 1.00 0.00 H new ATOM 1391 N PRO A 97 5.555 -11.743 -1.990 1.00 0.00 N ATOM 1392 CA PRO A 97 6.330 -12.220 -3.139 1.00 0.00 C ATOM 1393 C PRO A 97 6.694 -13.696 -3.020 1.00 0.00 C ATOM 1394 O PRO A 97 6.382 -14.345 -2.021 1.00 0.00 O ATOM 1395 CB PRO A 97 7.590 -11.353 -3.101 1.00 0.00 C ATOM 1396 CG PRO A 97 7.727 -10.946 -1.675 1.00 0.00 C ATOM 1397 CD PRO A 97 6.326 -10.816 -1.145 1.00 0.00 C ATOM 0 HA PRO A 97 5.770 -12.140 -4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.464 -11.910 -3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.493 -10.485 -3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.291 -11.688 -1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.266 -10.003 -1.589 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.268 -11.090 -0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.957 -9.794 -1.230 1.00 0.00 H new ATOM 1405 N LEU A 98 7.357 -14.221 -4.045 1.00 0.00 N ATOM 1406 CA LEU A 98 7.765 -15.621 -4.055 1.00 0.00 C ATOM 1407 C LEU A 98 9.283 -15.747 -3.974 1.00 0.00 C ATOM 1408 O LEU A 98 9.864 -16.713 -4.469 1.00 0.00 O ATOM 1409 CB LEU A 98 7.252 -16.313 -5.319 1.00 0.00 C ATOM 1410 CG LEU A 98 7.038 -15.414 -6.537 1.00 0.00 C ATOM 1411 CD1 LEU A 98 5.896 -14.441 -6.288 1.00 0.00 C ATOM 1412 CD2 LEU A 98 8.317 -14.662 -6.876 1.00 0.00 C ATOM 0 H LEU A 98 7.623 -13.698 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 98 7.331 -16.106 -3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.958 -17.098 -5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.307 -16.802 -5.083 1.00 0.00 H new ATOM 0 HG LEU A 98 6.774 -16.043 -7.387 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.758 -13.809 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.979 -14.998 -6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.131 -13.817 -5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.146 -14.027 -7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.612 -14.044 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.111 -15.375 -7.098 1.00 0.00 H new ATOM 1424 N SER A 99 9.920 -14.764 -3.346 1.00 0.00 N ATOM 1425 CA SER A 99 11.371 -14.763 -3.201 1.00 0.00 C ATOM 1426 C SER A 99 11.791 -15.492 -1.928 1.00 0.00 C ATOM 1427 O SER A 99 12.736 -15.090 -1.251 1.00 0.00 O ATOM 1428 CB SER A 99 11.902 -13.329 -3.179 1.00 0.00 C ATOM 1429 OG SER A 99 13.319 -13.309 -3.163 1.00 0.00 O ATOM 0 H SER A 99 9.454 -13.958 -2.929 1.00 0.00 H new ATOM 0 HA SER A 99 11.796 -15.287 -4.057 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.538 -12.790 -4.053 1.00 0.00 H new ATOM 0 HB3 SER A 99 11.518 -12.809 -2.301 1.00 0.00 H new ATOM 0 HG SER A 99 13.647 -13.918 -2.469 1.00 0.00 H new ATOM 1435 N GLY A 100 11.079 -16.569 -1.608 1.00 0.00 N ATOM 1436 CA GLY A 100 11.391 -17.338 -0.417 1.00 0.00 C ATOM 1437 C GLY A 100 11.220 -18.829 -0.629 1.00 0.00 C ATOM 1438 O GLY A 100 11.251 -19.325 -1.755 1.00 0.00 O ATOM 0 H GLY A 100 10.292 -16.922 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.418 -17.133 -0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.747 -17.014 0.400 1.00 0.00 H new ATOM 1442 N PRO A 101 11.037 -19.570 0.474 1.00 0.00 N ATOM 1443 CA PRO A 101 10.859 -21.024 0.430 1.00 0.00 C ATOM 1444 C PRO A 101 9.520 -21.426 -0.181 1.00 0.00 C ATOM 1445 O PRO A 101 8.508 -20.756 0.024 1.00 0.00 O ATOM 1446 CB PRO A 101 10.918 -21.434 1.904 1.00 0.00 C ATOM 1447 CG PRO A 101 10.497 -20.217 2.652 1.00 0.00 C ATOM 1448 CD PRO A 101 10.990 -19.045 1.849 1.00 0.00 C ATOM 0 HA PRO A 101 11.612 -21.508 -0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 101 10.254 -22.274 2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.923 -21.746 2.188 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.413 -20.184 2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 101 10.923 -20.209 3.655 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.318 -18.191 1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.972 -18.711 2.186 1.00 0.00 H new ATOM 1456 N SER A 102 9.523 -22.523 -0.931 1.00 0.00 N ATOM 1457 CA SER A 102 8.309 -23.012 -1.574 1.00 0.00 C ATOM 1458 C SER A 102 7.911 -24.377 -1.019 1.00 0.00 C ATOM 1459 O SER A 102 6.747 -24.613 -0.697 1.00 0.00 O ATOM 1460 CB SER A 102 8.510 -23.104 -3.088 1.00 0.00 C ATOM 1461 OG SER A 102 7.341 -23.583 -3.730 1.00 0.00 O ATOM 0 H SER A 102 10.352 -23.090 -1.108 1.00 0.00 H new ATOM 0 HA SER A 102 7.506 -22.305 -1.363 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.769 -22.122 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.347 -23.767 -3.307 1.00 0.00 H new ATOM 0 HG SER A 102 7.495 -23.631 -4.697 1.00 0.00 H new ATOM 1467 N SER A 103 8.888 -25.271 -0.910 1.00 0.00 N ATOM 1468 CA SER A 103 8.641 -26.614 -0.398 1.00 0.00 C ATOM 1469 C SER A 103 8.457 -26.592 1.117 1.00 0.00 C ATOM 1470 O SER A 103 9.351 -26.184 1.856 1.00 0.00 O ATOM 1471 CB SER A 103 9.798 -27.545 -0.769 1.00 0.00 C ATOM 1472 OG SER A 103 11.041 -27.000 -0.363 1.00 0.00 O ATOM 0 H SER A 103 9.858 -25.090 -1.169 1.00 0.00 H new ATOM 0 HA SER A 103 7.723 -26.987 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 103 9.652 -28.517 -0.298 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.804 -27.711 -1.846 1.00 0.00 H new ATOM 0 HG SER A 103 10.906 -26.424 0.418 1.00 0.00 H new ATOM 1478 N GLY A 104 7.288 -27.035 1.570 1.00 0.00 N ATOM 1479 CA GLY A 104 7.006 -27.059 2.994 1.00 0.00 C ATOM 1480 C GLY A 104 8.230 -27.394 3.822 1.00 0.00 C ATOM 1481 O GLY A 104 8.113 -27.893 4.941 1.00 0.00 O ATOM 0 H GLY A 104 6.532 -27.377 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.618 -26.088 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.224 -27.792 3.194 1.00 0.00 H new TER 1485 GLY A 104