USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 550 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 HECFE :(H bumps) USER MOD NoAdj-H: A 201 HEC HAC : A 201 HEC CAC : A 38 CYS SG :(H bumps) USER MOD NoAdj-H: A 201 HEC HAB : A 201 HEC CAB : A 35 CYS SG :(H bumps) USER MOD Set 1.1: A 47 HIS : no HD1:sc= -3! C(o=-2.3!,f=-14!) USER MOD Set 1.2: A 50 LYS NZ :NH3+ -160:sc= 0.597 (180deg=0) USER MOD Set 1.3: A 201 HEC O2D : rot 122:sc= 0.0824 USER MOD Single : A 33 THR OG1 : rot 15:sc= 0.855 USER MOD Single : A 34 HIS : no HD1:sc= -0.405 X(o=-0.41,f=0.078) USER MOD Single : A 41 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.076) USER MOD Single : A 44 ASN : amide:sc= -6.12! C(o=-6.1!,f=-10!) USER MOD Single : A 45 THR OG1 : rot 128:sc= -1.33 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.07 F(o=-2.2!,f=-0.07) USER MOD Single : A 64 THR OG1 : rot -92:sc= -2.56! USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.087 K(o=-0.087,f=-1.8!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -154:sc= -0.133 (180deg=-0.731) USER MOD Single : A 94 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00389) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 61:sc= 0.0918 USER MOD Single : A 201 HEC O2A : rot -130:sc= -3.17 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 25 -12.123 -8.035 -7.277 1.00 1.00 N ATOM 2 CA ALA A 25 -12.287 -8.412 -5.883 1.00 1.00 C ATOM 3 C ALA A 25 -11.252 -9.479 -5.523 1.00 1.00 C ATOM 4 O ALA A 25 -10.963 -10.365 -6.326 1.00 1.00 O ATOM 5 CB ALA A 25 -13.722 -8.888 -5.648 1.00 1.00 C ATOM 0 HA ALA A 25 -12.117 -7.555 -5.231 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -13.845 -9.171 -4.603 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -14.416 -8.084 -5.890 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -13.928 -9.749 -6.283 1.00 1.00 H new ATOM 11 N GLY A 26 -10.721 -9.360 -4.315 1.00 1.00 N ATOM 12 CA GLY A 26 -9.724 -10.303 -3.839 1.00 1.00 C ATOM 13 C GLY A 26 -8.668 -9.600 -2.984 1.00 1.00 C ATOM 14 O GLY A 26 -8.743 -9.622 -1.756 1.00 1.00 O ATOM 0 H GLY A 26 -10.963 -8.624 -3.651 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -10.208 -11.085 -3.255 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -9.244 -10.790 -4.688 1.00 1.00 H new ATOM 18 N GLY A 27 -7.708 -8.993 -3.666 1.00 1.00 N ATOM 19 CA GLY A 27 -6.638 -8.285 -2.985 1.00 1.00 C ATOM 20 C GLY A 27 -7.196 -7.166 -2.102 1.00 1.00 C ATOM 21 O GLY A 27 -6.568 -6.773 -1.121 1.00 1.00 O ATOM 0 H GLY A 27 -7.649 -8.977 -4.684 1.00 1.00 H new ATOM 0 HA2 GLY A 27 -6.066 -8.984 -2.375 1.00 1.00 H new ATOM 0 HA3 GLY A 27 -5.950 -7.865 -3.719 1.00 1.00 H new ATOM 25 N GLY A 28 -8.370 -6.685 -2.484 1.00 1.00 N ATOM 26 CA GLY A 28 -9.020 -5.620 -1.739 1.00 1.00 C ATOM 27 C GLY A 28 -9.446 -6.101 -0.351 1.00 1.00 C ATOM 28 O GLY A 28 -9.288 -5.383 0.635 1.00 1.00 O ATOM 0 H GLY A 28 -8.888 -7.013 -3.299 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -8.341 -4.773 -1.641 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -9.892 -5.267 -2.289 1.00 1.00 H new ATOM 32 N GLU A 29 -9.978 -7.314 -0.318 1.00 1.00 N ATOM 33 CA GLU A 29 -10.427 -7.900 0.933 1.00 1.00 C ATOM 34 C GLU A 29 -9.284 -7.924 1.950 1.00 1.00 C ATOM 35 O GLU A 29 -9.517 -7.829 3.154 1.00 1.00 O ATOM 36 CB GLU A 29 -10.991 -9.305 0.709 1.00 1.00 C ATOM 37 CG GLU A 29 -11.605 -9.861 1.996 1.00 1.00 C ATOM 38 CD GLU A 29 -13.120 -10.021 1.855 1.00 1.00 C ATOM 39 OE1 GLU A 29 -13.785 -9.152 1.272 1.00 1.00 O ATOM 40 OE2 GLU A 29 -13.605 -11.097 2.376 1.00 1.00 O ATOM 0 H GLU A 29 -10.108 -7.907 -1.138 1.00 1.00 H new ATOM 0 HA GLU A 29 -11.230 -7.281 1.333 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -11.747 -9.277 -0.076 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -10.198 -9.968 0.364 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -11.154 -10.825 2.232 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -11.382 -9.193 2.828 1.00 1.00 H new ATOM 48 N LEU A 30 -8.073 -8.051 1.427 1.00 1.00 N ATOM 49 CA LEU A 30 -6.893 -8.088 2.274 1.00 1.00 C ATOM 50 C LEU A 30 -6.517 -6.662 2.680 1.00 1.00 C ATOM 51 O LEU A 30 -6.173 -6.412 3.835 1.00 1.00 O ATOM 52 CB LEU A 30 -5.760 -8.849 1.582 1.00 1.00 C ATOM 53 CG LEU A 30 -6.101 -10.258 1.091 1.00 1.00 C ATOM 54 CD1 LEU A 30 -4.879 -10.929 0.459 1.00 1.00 C ATOM 55 CD2 LEU A 30 -6.699 -11.102 2.219 1.00 1.00 C ATOM 0 H LEU A 30 -7.884 -8.130 0.428 1.00 1.00 H new ATOM 0 HA LEU A 30 -7.101 -8.637 3.192 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.421 -8.260 0.729 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -4.921 -8.920 2.274 1.00 1.00 H new ATOM 0 HG LEU A 30 -6.861 -10.175 0.314 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -5.148 -11.929 0.118 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.537 -10.337 -0.390 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -4.080 -11.000 1.197 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -6.932 -12.098 1.843 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -5.980 -11.181 3.035 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -7.611 -10.629 2.583 1.00 1.00 H new ATOM 67 N PHE A 31 -6.595 -5.764 1.709 1.00 1.00 N ATOM 68 CA PHE A 31 -6.267 -4.370 1.952 1.00 1.00 C ATOM 69 C PHE A 31 -7.322 -3.704 2.837 1.00 1.00 C ATOM 70 O PHE A 31 -7.019 -2.763 3.569 1.00 1.00 O ATOM 71 CB PHE A 31 -6.247 -3.672 0.590 1.00 1.00 C ATOM 72 CG PHE A 31 -6.294 -2.145 0.673 1.00 1.00 C ATOM 73 CD1 PHE A 31 -5.154 -1.420 0.517 1.00 1.00 C ATOM 74 CD2 PHE A 31 -7.476 -1.512 0.903 1.00 1.00 C ATOM 75 CE1 PHE A 31 -5.197 -0.003 0.594 1.00 1.00 C ATOM 76 CE2 PHE A 31 -7.519 -0.095 0.979 1.00 1.00 C ATOM 77 CZ PHE A 31 -6.379 0.630 0.823 1.00 1.00 C ATOM 0 H PHE A 31 -6.881 -5.975 0.753 1.00 1.00 H new ATOM 0 HA PHE A 31 -5.306 -4.297 2.462 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -5.345 -3.969 0.054 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -7.096 -4.020 0.002 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -4.216 -1.922 0.334 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -8.381 -2.087 1.028 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -4.291 0.572 0.471 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -8.458 0.407 1.161 1.00 1.00 H new ATOM 0 HZ PHE A 31 -6.412 1.708 0.881 1.00 1.00 H new ATOM 87 N ALA A 32 -8.539 -4.220 2.743 1.00 1.00 N ATOM 88 CA ALA A 32 -9.640 -3.687 3.526 1.00 1.00 C ATOM 89 C ALA A 32 -9.716 -4.429 4.862 1.00 1.00 C ATOM 90 O ALA A 32 -10.794 -4.838 5.289 1.00 1.00 O ATOM 91 CB ALA A 32 -10.938 -3.798 2.724 1.00 1.00 C ATOM 0 H ALA A 32 -8.786 -5.002 2.136 1.00 1.00 H new ATOM 0 HA ALA A 32 -9.480 -2.631 3.743 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -11.764 -3.398 3.312 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -10.843 -3.231 1.798 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -11.133 -4.845 2.490 1.00 1.00 H new ATOM 97 N THR A 33 -8.556 -4.581 5.485 1.00 1.00 N ATOM 98 CA THR A 33 -8.477 -5.266 6.763 1.00 1.00 C ATOM 99 C THR A 33 -7.100 -5.057 7.396 1.00 1.00 C ATOM 100 O THR A 33 -6.993 -4.856 8.605 1.00 1.00 O ATOM 101 CB THR A 33 -8.822 -6.739 6.532 1.00 1.00 C ATOM 102 OG1 THR A 33 -10.246 -6.773 6.581 1.00 1.00 O ATOM 103 CG2 THR A 33 -8.388 -7.632 7.696 1.00 1.00 C ATOM 0 H THR A 33 -7.663 -4.241 5.128 1.00 1.00 H new ATOM 0 HA THR A 33 -9.193 -4.857 7.476 1.00 1.00 H new ATOM 0 HB THR A 33 -8.346 -7.084 5.614 1.00 1.00 H new ATOM 0 HG1 THR A 33 -10.598 -5.862 6.499 1.00 1.00 H new ATOM 0 HG21 THR A 33 -8.656 -8.666 7.481 1.00 1.00 H new ATOM 0 HG22 THR A 33 -7.309 -7.557 7.829 1.00 1.00 H new ATOM 0 HG23 THR A 33 -8.889 -7.309 8.609 1.00 1.00 H new ATOM 111 N HIS A 34 -6.081 -5.112 6.551 1.00 1.00 N ATOM 112 CA HIS A 34 -4.715 -4.931 7.013 1.00 1.00 C ATOM 113 C HIS A 34 -4.232 -3.526 6.649 1.00 1.00 C ATOM 114 O HIS A 34 -3.154 -3.108 7.069 1.00 1.00 O ATOM 115 CB HIS A 34 -3.806 -6.032 6.463 1.00 1.00 C ATOM 116 CG HIS A 34 -4.309 -7.432 6.724 1.00 1.00 C ATOM 117 ND1 HIS A 34 -4.149 -8.071 7.941 1.00 1.00 N ATOM 118 CD2 HIS A 34 -4.970 -8.307 5.913 1.00 1.00 C ATOM 119 CE1 HIS A 34 -4.693 -9.276 7.855 1.00 1.00 C ATOM 120 NE2 HIS A 34 -5.200 -9.421 6.597 1.00 1.00 N ATOM 0 H HIS A 34 -6.174 -5.279 5.549 1.00 1.00 H new ATOM 0 HA HIS A 34 -4.679 -5.019 8.099 1.00 1.00 H new ATOM 0 HB2 HIS A 34 -3.693 -5.892 5.388 1.00 1.00 H new ATOM 0 HB3 HIS A 34 -2.815 -5.925 6.904 1.00 1.00 H new ATOM 0 HD2 HIS A 34 -5.257 -8.124 4.888 1.00 1.00 H new ATOM 0 HE1 HIS A 34 -4.729 -10.014 8.643 1.00 1.00 H new ATOM 0 HE2 HIS A 34 -5.677 -10.249 6.241 1.00 1.00 H new ATOM 128 N CYS A 35 -5.054 -2.836 5.872 1.00 1.00 N ATOM 129 CA CYS A 35 -4.724 -1.486 5.446 1.00 1.00 C ATOM 130 C CYS A 35 -5.894 -0.569 5.808 1.00 1.00 C ATOM 131 O CYS A 35 -5.690 0.522 6.339 1.00 1.00 O ATOM 132 CB CYS A 35 -4.394 -1.428 3.953 1.00 1.00 C ATOM 133 SG CYS A 35 -3.429 -2.851 3.325 1.00 1.00 S ATOM 0 H CYS A 35 -5.948 -3.186 5.526 1.00 1.00 H new ATOM 0 HA CYS A 35 -3.825 -1.149 5.962 1.00 1.00 H new ATOM 0 HB2 CYS A 35 -5.326 -1.363 3.391 1.00 1.00 H new ATOM 0 HB3 CYS A 35 -3.837 -0.513 3.754 1.00 1.00 H new ATOM 138 N ALA A 36 -7.093 -1.045 5.507 1.00 1.00 N ATOM 139 CA ALA A 36 -8.295 -0.281 5.794 1.00 1.00 C ATOM 140 C ALA A 36 -8.123 0.451 7.126 1.00 1.00 C ATOM 141 O ALA A 36 -8.635 1.555 7.303 1.00 1.00 O ATOM 142 CB ALA A 36 -9.506 -1.217 5.795 1.00 1.00 C ATOM 0 H ALA A 36 -7.258 -1.950 5.067 1.00 1.00 H new ATOM 0 HA ALA A 36 -8.465 0.472 5.024 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -10.408 -0.644 6.010 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -9.601 -1.690 4.818 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -9.372 -1.984 6.558 1.00 1.00 H new ATOM 148 N GLY A 37 -7.399 -0.193 8.030 1.00 1.00 N ATOM 149 CA GLY A 37 -7.153 0.383 9.341 1.00 1.00 C ATOM 150 C GLY A 37 -5.987 1.372 9.295 1.00 1.00 C ATOM 151 O GLY A 37 -5.097 1.328 10.143 1.00 1.00 O ATOM 0 H GLY A 37 -6.975 -1.108 7.880 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -8.051 0.890 9.694 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -6.934 -0.410 10.055 1.00 1.00 H new ATOM 155 N CYS A 38 -6.029 2.241 8.296 1.00 1.00 N ATOM 156 CA CYS A 38 -4.987 3.240 8.128 1.00 1.00 C ATOM 157 C CYS A 38 -5.159 3.886 6.752 1.00 1.00 C ATOM 158 O CYS A 38 -4.842 5.061 6.571 1.00 1.00 O ATOM 159 CB CYS A 38 -3.592 2.637 8.306 1.00 1.00 C ATOM 160 SG CYS A 38 -2.862 3.203 9.885 1.00 1.00 S ATOM 0 H CYS A 38 -6.769 2.274 7.594 1.00 1.00 H new ATOM 0 HA CYS A 38 -5.082 4.003 8.901 1.00 1.00 H new ATOM 0 HB2 CYS A 38 -3.653 1.549 8.294 1.00 1.00 H new ATOM 0 HB3 CYS A 38 -2.951 2.930 7.474 1.00 1.00 H new ATOM 165 N HIS A 39 -5.659 3.091 5.818 1.00 1.00 N ATOM 166 CA HIS A 39 -5.877 3.572 4.464 1.00 1.00 C ATOM 167 C HIS A 39 -7.371 3.529 4.138 1.00 1.00 C ATOM 168 O HIS A 39 -7.820 2.842 3.224 1.00 1.00 O ATOM 169 CB HIS A 39 -5.029 2.782 3.465 1.00 1.00 C ATOM 170 CG HIS A 39 -3.559 3.124 3.501 1.00 1.00 C ATOM 171 ND1 HIS A 39 -3.069 4.364 3.130 1.00 1.00 N ATOM 172 CD2 HIS A 39 -2.478 2.377 3.868 1.00 1.00 C ATOM 173 CE1 HIS A 39 -1.751 4.352 3.270 1.00 1.00 C ATOM 174 NE2 HIS A 39 -1.387 3.119 3.727 1.00 1.00 N ATOM 0 H HIS A 39 -5.920 2.117 5.972 1.00 1.00 H new ATOM 0 HA HIS A 39 -5.554 4.610 4.386 1.00 1.00 H new ATOM 0 HB2 HIS A 39 -5.149 1.717 3.665 1.00 1.00 H new ATOM 0 HB3 HIS A 39 -5.409 2.962 2.459 1.00 1.00 H new ATOM 0 HD1 HIS A 39 -3.627 5.153 2.804 1.00 1.00 H new ATOM 0 HD2 HIS A 39 -2.506 1.355 4.215 1.00 1.00 H new ATOM 0 HE1 HIS A 39 -1.083 5.174 3.059 1.00 1.00 H new ATOM 182 N PRO A 40 -8.140 4.291 4.919 1.00 1.00 N ATOM 183 CA PRO A 40 -9.577 4.403 4.788 1.00 1.00 C ATOM 184 C PRO A 40 -9.914 5.239 3.562 1.00 1.00 C ATOM 185 O PRO A 40 -9.534 6.408 3.517 1.00 1.00 O ATOM 186 CB PRO A 40 -10.034 5.101 6.068 1.00 1.00 C ATOM 187 CG PRO A 40 -8.790 6.067 6.329 1.00 1.00 C ATOM 188 CD PRO A 40 -7.645 5.111 6.004 1.00 1.00 C ATOM 0 HA PRO A 40 -10.068 3.438 4.661 1.00 1.00 H new ATOM 0 HB2 PRO A 40 -10.965 5.651 5.931 1.00 1.00 H new ATOM 0 HB3 PRO A 40 -10.195 4.401 6.888 1.00 1.00 H new ATOM 0 HG2 PRO A 40 -8.799 6.943 5.681 1.00 1.00 H new ATOM 0 HG3 PRO A 40 -8.752 6.430 7.356 1.00 1.00 H new ATOM 0 HD2 PRO A 40 -6.748 5.655 5.710 1.00 1.00 H new ATOM 0 HD3 PRO A 40 -7.380 4.503 6.869 1.00 1.00 H new ATOM 196 N GLN A 41 -10.607 4.637 2.606 1.00 1.00 N ATOM 197 CA GLN A 41 -10.979 5.346 1.393 1.00 1.00 C ATOM 198 C GLN A 41 -9.747 5.991 0.756 1.00 1.00 C ATOM 199 O GLN A 41 -9.713 7.203 0.551 1.00 1.00 O ATOM 200 CB GLN A 41 -12.060 6.391 1.678 1.00 1.00 C ATOM 201 CG GLN A 41 -13.444 5.869 1.287 1.00 1.00 C ATOM 202 CD GLN A 41 -14.539 6.856 1.697 1.00 1.00 C ATOM 203 OE1 GLN A 41 -14.432 8.056 1.505 1.00 1.00 O ATOM 204 NE2 GLN A 41 -15.594 6.286 2.272 1.00 1.00 N ATOM 0 H GLN A 41 -10.920 3.667 2.647 1.00 1.00 H new ATOM 0 HA GLN A 41 -11.393 4.626 0.687 1.00 1.00 H new ATOM 0 HB2 GLN A 41 -12.051 6.650 2.737 1.00 1.00 H new ATOM 0 HB3 GLN A 41 -11.842 7.305 1.125 1.00 1.00 H new ATOM 0 HG2 GLN A 41 -13.483 5.704 0.210 1.00 1.00 H new ATOM 0 HG3 GLN A 41 -13.621 4.905 1.764 1.00 1.00 H new ATOM 0 HE21 GLN A 41 -15.619 5.275 2.403 1.00 1.00 H new ATOM 0 HE22 GLN A 41 -16.378 6.860 2.582 1.00 1.00 H new ATOM 213 N GLY A 42 -8.765 5.152 0.460 1.00 1.00 N ATOM 214 CA GLY A 42 -7.534 5.625 -0.150 1.00 1.00 C ATOM 215 C GLY A 42 -7.038 6.900 0.536 1.00 1.00 C ATOM 216 O GLY A 42 -6.404 7.743 -0.097 1.00 1.00 O ATOM 0 H GLY A 42 -8.797 4.147 0.631 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.770 4.851 -0.083 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.700 5.819 -1.210 1.00 1.00 H new ATOM 220 N GLY A 43 -7.346 7.001 1.821 1.00 1.00 N ATOM 221 CA GLY A 43 -6.939 8.159 2.598 1.00 1.00 C ATOM 222 C GLY A 43 -5.778 7.812 3.532 1.00 1.00 C ATOM 223 O GLY A 43 -5.019 6.881 3.265 1.00 1.00 O ATOM 0 H GLY A 43 -7.872 6.300 2.343 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -6.642 8.965 1.927 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -7.784 8.525 3.182 1.00 1.00 H new ATOM 227 N ASN A 44 -5.676 8.578 4.608 1.00 1.00 N ATOM 228 CA ASN A 44 -4.620 8.363 5.583 1.00 1.00 C ATOM 229 C ASN A 44 -5.104 8.819 6.961 1.00 1.00 C ATOM 230 O ASN A 44 -5.830 9.805 7.073 1.00 1.00 O ATOM 231 CB ASN A 44 -3.371 9.172 5.229 1.00 1.00 C ATOM 232 CG ASN A 44 -2.724 8.649 3.945 1.00 1.00 C ATOM 233 OD1 ASN A 44 -3.213 8.852 2.846 1.00 1.00 O ATOM 234 ND2 ASN A 44 -1.601 7.966 4.145 1.00 1.00 N ATOM 0 H ASN A 44 -6.307 9.349 4.826 1.00 1.00 H new ATOM 0 HA ASN A 44 -4.373 7.301 5.585 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -3.637 10.222 5.105 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -2.655 9.119 6.049 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -1.094 7.575 3.351 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -1.247 7.833 5.092 1.00 1.00 H new ATOM 241 N THR A 45 -4.681 8.079 7.976 1.00 1.00 N ATOM 242 CA THR A 45 -5.062 8.394 9.342 1.00 1.00 C ATOM 243 C THR A 45 -3.855 8.911 10.127 1.00 1.00 C ATOM 244 O THR A 45 -3.993 9.348 11.268 1.00 1.00 O ATOM 245 CB THR A 45 -5.697 7.145 9.956 1.00 1.00 C ATOM 246 OG1 THR A 45 -4.868 6.077 9.507 1.00 1.00 O ATOM 247 CG2 THR A 45 -7.069 6.830 9.356 1.00 1.00 C ATOM 0 H THR A 45 -4.078 7.262 7.879 1.00 1.00 H new ATOM 0 HA THR A 45 -5.797 9.198 9.372 1.00 1.00 H new ATOM 0 HB THR A 45 -5.795 7.280 11.033 1.00 1.00 H new ATOM 0 HG1 THR A 45 -4.587 5.536 10.274 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.475 5.935 9.827 1.00 1.00 H new ATOM 0 HG22 THR A 45 -7.743 7.669 9.529 1.00 1.00 H new ATOM 0 HG23 THR A 45 -6.967 6.662 8.284 1.00 1.00 H new ATOM 255 N VAL A 46 -2.699 8.843 9.483 1.00 1.00 N ATOM 256 CA VAL A 46 -1.468 9.299 10.107 1.00 1.00 C ATOM 257 C VAL A 46 -0.966 10.549 9.381 1.00 1.00 C ATOM 258 O VAL A 46 -0.762 11.591 10.002 1.00 1.00 O ATOM 259 CB VAL A 46 -0.440 8.165 10.125 1.00 1.00 C ATOM 260 CG1 VAL A 46 0.900 8.649 10.684 1.00 1.00 C ATOM 261 CG2 VAL A 46 -0.963 6.964 10.915 1.00 1.00 C ATOM 0 H VAL A 46 -2.589 8.479 8.536 1.00 1.00 H new ATOM 0 HA VAL A 46 -1.646 9.576 11.146 1.00 1.00 H new ATOM 0 HB VAL A 46 -0.277 7.843 9.096 1.00 1.00 H new ATOM 0 HG11 VAL A 46 1.613 7.824 10.686 1.00 1.00 H new ATOM 0 HG12 VAL A 46 1.283 9.458 10.062 1.00 1.00 H new ATOM 0 HG13 VAL A 46 0.760 9.010 11.703 1.00 1.00 H new ATOM 0 HG21 VAL A 46 -0.214 6.172 10.912 1.00 1.00 H new ATOM 0 HG22 VAL A 46 -1.169 7.266 11.942 1.00 1.00 H new ATOM 0 HG23 VAL A 46 -1.880 6.597 10.454 1.00 1.00 H new ATOM 271 N HIS A 47 -0.781 10.403 8.078 1.00 1.00 N ATOM 272 CA HIS A 47 -0.306 11.508 7.261 1.00 1.00 C ATOM 273 C HIS A 47 -1.388 11.902 6.253 1.00 1.00 C ATOM 274 O HIS A 47 -1.701 11.173 5.314 1.00 1.00 O ATOM 275 CB HIS A 47 1.026 11.159 6.596 1.00 1.00 C ATOM 276 CG HIS A 47 2.180 11.030 7.562 1.00 1.00 C ATOM 277 ND1 HIS A 47 3.466 10.717 7.156 1.00 1.00 N ATOM 278 CD2 HIS A 47 2.228 11.176 8.917 1.00 1.00 C ATOM 279 CE1 HIS A 47 4.244 10.678 8.228 1.00 1.00 C ATOM 280 NE2 HIS A 47 3.475 10.962 9.318 1.00 1.00 N ATOM 0 H HIS A 47 -0.951 9.537 7.567 1.00 1.00 H new ATOM 0 HA HIS A 47 -0.113 12.375 7.892 1.00 1.00 H new ATOM 0 HB2 HIS A 47 0.914 10.221 6.052 1.00 1.00 H new ATOM 0 HB3 HIS A 47 1.265 11.927 5.861 1.00 1.00 H new ATOM 0 HD2 HIS A 47 1.393 11.424 9.556 1.00 1.00 H new ATOM 0 HE1 HIS A 47 5.302 10.460 8.237 1.00 1.00 H new ATOM 0 HE2 HIS A 47 3.804 11.003 10.283 1.00 1.00 H new ATOM 288 N PRO A 48 -1.958 13.089 6.472 1.00 1.00 N ATOM 289 CA PRO A 48 -2.999 13.659 5.644 1.00 1.00 C ATOM 290 C PRO A 48 -2.374 14.338 4.433 1.00 1.00 C ATOM 291 O PRO A 48 -3.046 15.144 3.792 1.00 1.00 O ATOM 292 CB PRO A 48 -3.699 14.677 6.541 1.00 1.00 C ATOM 293 CG PRO A 48 -2.536 15.177 7.405 1.00 1.00 C ATOM 294 CD PRO A 48 -1.613 13.971 7.565 1.00 1.00 C ATOM 0 HA PRO A 48 -3.697 12.912 5.265 1.00 1.00 H new ATOM 0 HB2 PRO A 48 -4.158 15.482 5.967 1.00 1.00 H new ATOM 0 HB3 PRO A 48 -4.488 14.222 7.140 1.00 1.00 H new ATOM 0 HG2 PRO A 48 -2.019 16.009 6.927 1.00 1.00 H new ATOM 0 HG3 PRO A 48 -2.889 15.535 8.372 1.00 1.00 H new ATOM 0 HD2 PRO A 48 -0.565 14.267 7.518 1.00 1.00 H new ATOM 0 HD3 PRO A 48 -1.764 13.484 8.528 1.00 1.00 H new ATOM 302 N GLU A 49 -1.123 14.009 4.148 1.00 1.00 N ATOM 303 CA GLU A 49 -0.433 14.601 3.014 1.00 1.00 C ATOM 304 C GLU A 49 0.191 13.509 2.143 1.00 1.00 C ATOM 305 O GLU A 49 0.874 13.805 1.164 1.00 1.00 O ATOM 306 CB GLU A 49 0.625 15.603 3.478 1.00 1.00 C ATOM 307 CG GLU A 49 1.668 14.926 4.371 1.00 1.00 C ATOM 308 CD GLU A 49 3.005 15.667 4.310 1.00 1.00 C ATOM 309 OE1 GLU A 49 3.475 16.182 5.335 1.00 1.00 O ATOM 310 OE2 GLU A 49 3.560 15.695 3.146 1.00 1.00 O ATOM 0 H GLU A 49 -0.569 13.340 4.683 1.00 1.00 H new ATOM 0 HA GLU A 49 -1.162 15.145 2.414 1.00 1.00 H new ATOM 0 HB2 GLU A 49 1.116 16.046 2.612 1.00 1.00 H new ATOM 0 HB3 GLU A 49 0.146 16.416 4.024 1.00 1.00 H new ATOM 0 HG2 GLU A 49 1.309 14.900 5.400 1.00 1.00 H new ATOM 0 HG3 GLU A 49 1.806 13.892 4.055 1.00 1.00 H new ATOM 318 N LYS A 50 -0.066 12.268 2.531 1.00 1.00 N ATOM 319 CA LYS A 50 0.462 11.130 1.797 1.00 1.00 C ATOM 320 C LYS A 50 -0.686 10.186 1.434 1.00 1.00 C ATOM 321 O LYS A 50 -0.948 9.218 2.146 1.00 1.00 O ATOM 322 CB LYS A 50 1.584 10.457 2.589 1.00 1.00 C ATOM 323 CG LYS A 50 2.583 11.491 3.113 1.00 1.00 C ATOM 324 CD LYS A 50 4.003 11.168 2.645 1.00 1.00 C ATOM 325 CE LYS A 50 4.968 12.302 2.997 1.00 1.00 C ATOM 326 NZ LYS A 50 6.185 11.765 3.645 1.00 1.00 N ATOM 0 H LYS A 50 -0.633 12.026 3.344 1.00 1.00 H new ATOM 0 HA LYS A 50 0.915 11.457 0.861 1.00 1.00 H new ATOM 0 HB2 LYS A 50 1.160 9.900 3.424 1.00 1.00 H new ATOM 0 HB3 LYS A 50 2.100 9.737 1.954 1.00 1.00 H new ATOM 0 HG2 LYS A 50 2.299 12.485 2.766 1.00 1.00 H new ATOM 0 HG3 LYS A 50 2.551 11.513 4.202 1.00 1.00 H new ATOM 0 HD2 LYS A 50 4.341 10.241 3.109 1.00 1.00 H new ATOM 0 HD3 LYS A 50 4.006 11.004 1.567 1.00 1.00 H new ATOM 0 HE2 LYS A 50 5.241 12.849 2.094 1.00 1.00 H new ATOM 0 HE3 LYS A 50 4.477 13.011 3.663 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 6.661 12.524 4.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 5.921 11.001 4.300 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 6.829 11.392 2.919 1.00 1.00 H new ATOM 339 N THR A 51 -1.340 10.501 0.325 1.00 1.00 N ATOM 340 CA THR A 51 -2.454 9.693 -0.141 1.00 1.00 C ATOM 341 C THR A 51 -1.980 8.689 -1.195 1.00 1.00 C ATOM 342 O THR A 51 -0.798 8.651 -1.533 1.00 1.00 O ATOM 343 CB THR A 51 -3.544 10.639 -0.650 1.00 1.00 C ATOM 344 OG1 THR A 51 -3.050 11.093 -1.908 1.00 1.00 O ATOM 345 CG2 THR A 51 -3.652 11.913 0.189 1.00 1.00 C ATOM 0 H THR A 51 -1.120 11.304 -0.264 1.00 1.00 H new ATOM 0 HA THR A 51 -2.874 9.095 0.667 1.00 1.00 H new ATOM 0 HB THR A 51 -4.503 10.121 -0.649 1.00 1.00 H new ATOM 0 HG1 THR A 51 -3.696 11.711 -2.310 1.00 1.00 H new ATOM 0 HG21 THR A 51 -4.440 12.549 -0.215 1.00 1.00 H new ATOM 0 HG22 THR A 51 -3.890 11.651 1.220 1.00 1.00 H new ATOM 0 HG23 THR A 51 -2.703 12.449 0.161 1.00 1.00 H new ATOM 353 N LEU A 52 -2.927 7.902 -1.684 1.00 1.00 N ATOM 354 CA LEU A 52 -2.621 6.901 -2.691 1.00 1.00 C ATOM 355 C LEU A 52 -2.826 7.505 -4.082 1.00 1.00 C ATOM 356 O LEU A 52 -2.935 6.778 -5.069 1.00 1.00 O ATOM 357 CB LEU A 52 -3.436 5.629 -2.448 1.00 1.00 C ATOM 358 CG LEU A 52 -3.141 4.883 -1.145 1.00 1.00 C ATOM 359 CD1 LEU A 52 -4.083 3.691 -0.970 1.00 1.00 C ATOM 360 CD2 LEU A 52 -1.671 4.467 -1.071 1.00 1.00 C ATOM 0 H LEU A 52 -3.906 7.937 -1.401 1.00 1.00 H new ATOM 0 HA LEU A 52 -1.576 6.600 -2.623 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -4.494 5.891 -2.462 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -3.265 4.947 -3.281 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.325 5.564 -0.314 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -3.852 3.178 -0.036 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -5.114 4.043 -0.945 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -3.955 3.001 -1.804 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -1.489 3.939 -0.135 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -1.436 3.811 -1.909 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.039 5.354 -1.116 1.00 1.00 H new ATOM 372 N ALA A 53 -2.871 8.829 -4.117 1.00 1.00 N ATOM 373 CA ALA A 53 -3.060 9.538 -5.371 1.00 1.00 C ATOM 374 C ALA A 53 -1.727 9.612 -6.116 1.00 1.00 C ATOM 375 O ALA A 53 -0.711 10.000 -5.542 1.00 1.00 O ATOM 376 CB ALA A 53 -3.649 10.922 -5.090 1.00 1.00 C ATOM 0 H ALA A 53 -2.780 9.429 -3.297 1.00 1.00 H new ATOM 0 HA ALA A 53 -3.765 9.007 -6.010 1.00 1.00 H new ATOM 0 HB1 ALA A 53 -3.791 11.455 -6.030 1.00 1.00 H new ATOM 0 HB2 ALA A 53 -4.609 10.813 -4.586 1.00 1.00 H new ATOM 0 HB3 ALA A 53 -2.967 11.485 -4.453 1.00 1.00 H new ATOM 382 N ARG A 54 -1.773 9.234 -7.385 1.00 1.00 N ATOM 383 CA ARG A 54 -0.580 9.252 -8.215 1.00 1.00 C ATOM 384 C ARG A 54 0.141 10.594 -8.079 1.00 1.00 C ATOM 385 O ARG A 54 1.358 10.634 -7.903 1.00 1.00 O ATOM 386 CB ARG A 54 -0.930 9.016 -9.686 1.00 1.00 C ATOM 387 CG ARG A 54 0.336 8.892 -10.537 1.00 1.00 C ATOM 388 CD ARG A 54 0.013 9.046 -12.025 1.00 1.00 C ATOM 389 NE ARG A 54 -0.060 10.481 -12.381 1.00 1.00 N ATOM 390 CZ ARG A 54 -1.200 11.204 -12.380 1.00 1.00 C ATOM 391 NH1 ARG A 54 -1.149 12.479 -12.715 1.00 1.00 N ATOM 392 NH2 ARG A 54 -2.374 10.631 -12.040 1.00 1.00 N ATOM 0 H ARG A 54 -2.617 8.913 -7.859 1.00 1.00 H new ATOM 0 HA ARG A 54 0.073 8.449 -7.875 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -1.527 8.109 -9.781 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -1.541 9.840 -10.055 1.00 1.00 H new ATOM 0 HG2 ARG A 54 1.056 9.653 -10.237 1.00 1.00 H new ATOM 0 HG3 ARG A 54 0.804 7.923 -10.361 1.00 1.00 H new ATOM 0 HD2 ARG A 54 0.778 8.552 -12.625 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -0.935 8.558 -12.252 1.00 1.00 H new ATOM 0 HE ARG A 54 0.805 10.953 -12.643 1.00 1.00 H new ATOM 0 HH11 ARG A 54 -0.257 12.904 -12.970 1.00 1.00 H new ATOM 0 HH12 ARG A 54 -2.001 13.040 -12.719 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -2.404 9.645 -11.781 1.00 1.00 H new ATOM 0 HH22 ARG A 54 -3.231 11.184 -12.042 1.00 1.00 H new ATOM 402 N ALA A 55 -0.640 11.661 -8.165 1.00 1.00 N ATOM 403 CA ALA A 55 -0.091 13.002 -8.054 1.00 1.00 C ATOM 404 C ALA A 55 0.947 13.031 -6.930 1.00 1.00 C ATOM 405 O ALA A 55 2.041 13.565 -7.104 1.00 1.00 O ATOM 406 CB ALA A 55 -1.227 14.001 -7.825 1.00 1.00 C ATOM 0 H ALA A 55 -1.649 11.624 -8.310 1.00 1.00 H new ATOM 0 HA ALA A 55 0.414 13.289 -8.977 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -0.816 15.007 -7.742 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -1.921 13.961 -8.664 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -1.755 13.747 -6.906 1.00 1.00 H new ATOM 412 N ARG A 56 0.567 12.450 -5.801 1.00 1.00 N ATOM 413 CA ARG A 56 1.451 12.403 -4.649 1.00 1.00 C ATOM 414 C ARG A 56 2.402 11.211 -4.759 1.00 1.00 C ATOM 415 O ARG A 56 3.592 11.333 -4.472 1.00 1.00 O ATOM 416 CB ARG A 56 0.654 12.293 -3.348 1.00 1.00 C ATOM 417 CG ARG A 56 0.047 13.643 -2.960 1.00 1.00 C ATOM 418 CD ARG A 56 0.986 14.421 -2.035 1.00 1.00 C ATOM 419 NE ARG A 56 0.278 15.585 -1.458 1.00 1.00 N ATOM 420 CZ ARG A 56 -0.744 15.492 -0.582 1.00 1.00 C ATOM 421 NH1 ARG A 56 -1.304 16.599 -0.131 1.00 1.00 N ATOM 422 NH2 ARG A 56 -1.188 14.284 -0.173 1.00 1.00 N ATOM 0 H ARG A 56 -0.341 12.008 -5.660 1.00 1.00 H new ATOM 0 HA ARG A 56 2.025 13.330 -4.633 1.00 1.00 H new ATOM 0 HB2 ARG A 56 -0.139 11.554 -3.465 1.00 1.00 H new ATOM 0 HB3 ARG A 56 1.304 11.939 -2.548 1.00 1.00 H new ATOM 0 HG2 ARG A 56 -0.152 14.228 -3.858 1.00 1.00 H new ATOM 0 HG3 ARG A 56 -0.911 13.486 -2.464 1.00 1.00 H new ATOM 0 HD2 ARG A 56 1.345 13.771 -1.237 1.00 1.00 H new ATOM 0 HD3 ARG A 56 1.862 14.756 -2.591 1.00 1.00 H new ATOM 0 HE ARG A 56 0.582 16.517 -1.740 1.00 1.00 H new ATOM 0 HH11 ARG A 56 -0.963 17.508 -0.445 1.00 1.00 H new ATOM 0 HH12 ARG A 56 -2.078 16.546 0.532 1.00 1.00 H new ATOM 0 HH21 ARG A 56 -0.750 13.433 -0.527 1.00 1.00 H new ATOM 0 HH22 ARG A 56 -1.961 14.222 0.489 1.00 1.00 H new ATOM 432 N ARG A 57 1.843 10.084 -5.174 1.00 1.00 N ATOM 433 CA ARG A 57 2.627 8.870 -5.326 1.00 1.00 C ATOM 434 C ARG A 57 3.782 9.103 -6.301 1.00 1.00 C ATOM 435 O ARG A 57 4.737 8.328 -6.335 1.00 1.00 O ATOM 436 CB ARG A 57 1.762 7.716 -5.836 1.00 1.00 C ATOM 437 CG ARG A 57 1.728 6.568 -4.824 1.00 1.00 C ATOM 438 CD ARG A 57 0.300 6.308 -4.339 1.00 1.00 C ATOM 439 NE ARG A 57 -0.201 5.034 -4.899 1.00 1.00 N ATOM 440 CZ ARG A 57 -0.831 4.926 -6.089 1.00 1.00 C ATOM 441 NH1 ARG A 57 -1.237 3.737 -6.492 1.00 1.00 N ATOM 442 NH2 ARG A 57 -1.042 6.018 -6.854 1.00 1.00 N ATOM 0 H ARG A 57 0.856 9.986 -5.410 1.00 1.00 H new ATOM 0 HA ARG A 57 3.023 8.606 -4.345 1.00 1.00 H new ATOM 0 HB2 ARG A 57 0.749 8.071 -6.023 1.00 1.00 H new ATOM 0 HB3 ARG A 57 2.154 7.356 -6.787 1.00 1.00 H new ATOM 0 HG2 ARG A 57 2.131 5.664 -5.280 1.00 1.00 H new ATOM 0 HG3 ARG A 57 2.367 6.808 -3.974 1.00 1.00 H new ATOM 0 HD2 ARG A 57 0.279 6.269 -3.250 1.00 1.00 H new ATOM 0 HD3 ARG A 57 -0.351 7.128 -4.642 1.00 1.00 H new ATOM 0 HE ARG A 57 -0.062 4.184 -4.353 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -1.074 2.917 -5.908 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -1.714 3.638 -7.388 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -0.725 6.933 -6.535 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -1.519 5.928 -7.751 1.00 1.00 H new ATOM 452 N GLU A 58 3.658 10.174 -7.071 1.00 1.00 N ATOM 453 CA GLU A 58 4.680 10.518 -8.045 1.00 1.00 C ATOM 454 C GLU A 58 5.865 11.195 -7.354 1.00 1.00 C ATOM 455 O GLU A 58 7.017 10.844 -7.604 1.00 1.00 O ATOM 456 CB GLU A 58 4.107 11.409 -9.149 1.00 1.00 C ATOM 457 CG GLU A 58 4.454 12.879 -8.902 1.00 1.00 C ATOM 458 CD GLU A 58 3.909 13.767 -10.023 1.00 1.00 C ATOM 459 OE1 GLU A 58 2.694 13.778 -10.270 1.00 1.00 O ATOM 460 OE2 GLU A 58 4.797 14.463 -10.648 1.00 1.00 O ATOM 0 H GLU A 58 2.865 10.815 -7.040 1.00 1.00 H new ATOM 0 HA GLU A 58 5.034 9.599 -8.512 1.00 1.00 H new ATOM 0 HB2 GLU A 58 4.502 11.096 -10.116 1.00 1.00 H new ATOM 0 HB3 GLU A 58 3.024 11.289 -9.193 1.00 1.00 H new ATOM 0 HG2 GLU A 58 4.039 13.199 -7.946 1.00 1.00 H new ATOM 0 HG3 GLU A 58 5.536 12.995 -8.835 1.00 1.00 H new ATOM 468 N ALA A 59 5.542 12.152 -6.497 1.00 1.00 N ATOM 469 CA ALA A 59 6.566 12.881 -5.768 1.00 1.00 C ATOM 470 C ALA A 59 7.511 11.886 -5.093 1.00 1.00 C ATOM 471 O ALA A 59 8.727 11.963 -5.267 1.00 1.00 O ATOM 472 CB ALA A 59 5.902 13.827 -4.765 1.00 1.00 C ATOM 0 H ALA A 59 4.585 12.440 -6.291 1.00 1.00 H new ATOM 0 HA ALA A 59 7.161 13.491 -6.448 1.00 1.00 H new ATOM 0 HB1 ALA A 59 6.670 14.374 -4.218 1.00 1.00 H new ATOM 0 HB2 ALA A 59 5.264 14.532 -5.297 1.00 1.00 H new ATOM 0 HB3 ALA A 59 5.299 13.249 -4.064 1.00 1.00 H new ATOM 478 N ASN A 60 6.918 10.974 -4.337 1.00 1.00 N ATOM 479 CA ASN A 60 7.692 9.964 -3.635 1.00 1.00 C ATOM 480 C ASN A 60 8.149 8.895 -4.630 1.00 1.00 C ATOM 481 O ASN A 60 9.208 8.293 -4.457 1.00 1.00 O ATOM 482 CB ASN A 60 6.853 9.278 -2.556 1.00 1.00 C ATOM 483 CG ASN A 60 6.730 10.160 -1.313 1.00 1.00 C ATOM 484 OD1 ASN A 60 6.428 11.428 -1.577 1.00 1.00 O flip ATOM 485 ND2 ASN A 60 6.899 9.719 -0.188 1.00 1.00 N flip ATOM 0 H ASN A 60 5.910 10.913 -4.195 1.00 1.00 H new ATOM 0 HA ASN A 60 8.545 10.457 -3.169 1.00 1.00 H new ATOM 0 HB2 ASN A 60 5.861 9.056 -2.948 1.00 1.00 H new ATOM 0 HB3 ASN A 60 7.309 8.325 -2.287 1.00 1.00 H new ATOM 0 HD21 ASN A 60 7.129 8.734 -0.056 1.00 1.00 H new ATOM 0 HD22 ASN A 60 6.810 10.335 0.620 1.00 1.00 H new ATOM 492 N GLY A 61 7.328 8.692 -5.650 1.00 1.00 N ATOM 493 CA GLY A 61 7.635 7.706 -6.673 1.00 1.00 C ATOM 494 C GLY A 61 7.157 6.314 -6.253 1.00 1.00 C ATOM 495 O GLY A 61 7.961 5.472 -5.855 1.00 1.00 O ATOM 0 H GLY A 61 6.451 9.193 -5.790 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.159 7.990 -7.612 1.00 1.00 H new ATOM 0 HA3 GLY A 61 8.710 7.686 -6.854 1.00 1.00 H new ATOM 499 N ILE A 62 5.852 6.115 -6.356 1.00 1.00 N ATOM 500 CA ILE A 62 5.258 4.840 -5.992 1.00 1.00 C ATOM 501 C ILE A 62 4.193 4.465 -7.024 1.00 1.00 C ATOM 502 O ILE A 62 3.041 4.218 -6.671 1.00 1.00 O ATOM 503 CB ILE A 62 4.734 4.884 -4.555 1.00 1.00 C ATOM 504 CG1 ILE A 62 5.840 5.291 -3.580 1.00 1.00 C ATOM 505 CG2 ILE A 62 4.089 3.552 -4.167 1.00 1.00 C ATOM 506 CD1 ILE A 62 5.481 4.894 -2.147 1.00 1.00 C ATOM 0 H ILE A 62 5.188 6.816 -6.687 1.00 1.00 H new ATOM 0 HA ILE A 62 6.010 4.051 -6.009 1.00 1.00 H new ATOM 0 HB ILE A 62 3.958 5.647 -4.497 1.00 1.00 H new ATOM 0 HG12 ILE A 62 6.777 4.816 -3.869 1.00 1.00 H new ATOM 0 HG13 ILE A 62 5.999 6.368 -3.634 1.00 1.00 H new ATOM 0 HG21 ILE A 62 3.725 3.609 -3.141 1.00 1.00 H new ATOM 0 HG22 ILE A 62 3.255 3.343 -4.837 1.00 1.00 H new ATOM 0 HG23 ILE A 62 4.827 2.754 -4.246 1.00 1.00 H new ATOM 0 HD11 ILE A 62 6.284 5.195 -1.474 1.00 1.00 H new ATOM 0 HD12 ILE A 62 4.556 5.390 -1.853 1.00 1.00 H new ATOM 0 HD13 ILE A 62 5.347 3.814 -2.092 1.00 1.00 H new ATOM 518 N ARG A 63 4.616 4.434 -8.280 1.00 1.00 N ATOM 519 CA ARG A 63 3.712 4.094 -9.366 1.00 1.00 C ATOM 520 C ARG A 63 4.085 2.734 -9.959 1.00 1.00 C ATOM 521 O ARG A 63 4.320 2.620 -11.161 1.00 1.00 O ATOM 522 CB ARG A 63 3.754 5.153 -10.469 1.00 1.00 C ATOM 523 CG ARG A 63 5.098 5.131 -11.199 1.00 1.00 C ATOM 524 CD ARG A 63 4.898 5.063 -12.715 1.00 1.00 C ATOM 525 NE ARG A 63 4.583 6.409 -13.245 1.00 1.00 N ATOM 526 CZ ARG A 63 3.960 6.633 -14.421 1.00 1.00 C ATOM 527 NH1 ARG A 63 3.729 7.877 -14.797 1.00 1.00 N ATOM 528 NH2 ARG A 63 3.578 5.599 -15.201 1.00 1.00 N ATOM 0 H ARG A 63 5.572 4.639 -8.569 1.00 1.00 H new ATOM 0 HA ARG A 63 2.702 4.052 -8.957 1.00 1.00 H new ATOM 0 HB2 ARG A 63 2.947 4.975 -11.180 1.00 1.00 H new ATOM 0 HB3 ARG A 63 3.587 6.140 -10.037 1.00 1.00 H new ATOM 0 HG2 ARG A 63 5.669 6.024 -10.944 1.00 1.00 H new ATOM 0 HG3 ARG A 63 5.682 4.273 -10.867 1.00 1.00 H new ATOM 0 HD2 ARG A 63 5.799 4.677 -13.192 1.00 1.00 H new ATOM 0 HD3 ARG A 63 4.090 4.371 -12.953 1.00 1.00 H new ATOM 0 HE ARG A 63 4.854 7.218 -12.686 1.00 1.00 H new ATOM 0 HH11 ARG A 63 4.020 8.652 -14.202 1.00 1.00 H new ATOM 0 HH12 ARG A 63 3.259 8.063 -15.683 1.00 1.00 H new ATOM 0 HH21 ARG A 63 3.760 4.641 -14.903 1.00 1.00 H new ATOM 0 HH22 ARG A 63 3.108 5.776 -16.089 1.00 1.00 H new ATOM 538 N THR A 64 4.127 1.735 -9.089 1.00 1.00 N ATOM 539 CA THR A 64 4.467 0.387 -9.512 1.00 1.00 C ATOM 540 C THR A 64 3.867 -0.640 -8.550 1.00 1.00 C ATOM 541 O THR A 64 3.802 -0.404 -7.345 1.00 1.00 O ATOM 542 CB THR A 64 5.990 0.298 -9.625 1.00 1.00 C ATOM 543 OG1 THR A 64 6.457 0.671 -8.332 1.00 1.00 O ATOM 544 CG2 THR A 64 6.572 1.365 -10.554 1.00 1.00 C ATOM 0 H THR A 64 3.931 1.832 -8.093 1.00 1.00 H new ATOM 0 HA THR A 64 4.041 0.158 -10.489 1.00 1.00 H new ATOM 0 HB THR A 64 6.269 -0.691 -9.989 1.00 1.00 H new ATOM 0 HG1 THR A 64 6.628 1.636 -8.312 1.00 1.00 H new ATOM 0 HG21 THR A 64 7.656 1.257 -10.598 1.00 1.00 H new ATOM 0 HG22 THR A 64 6.154 1.244 -11.553 1.00 1.00 H new ATOM 0 HG23 THR A 64 6.321 2.355 -10.173 1.00 1.00 H new ATOM 552 N VAL A 65 3.445 -1.760 -9.119 1.00 1.00 N ATOM 553 CA VAL A 65 2.853 -2.825 -8.328 1.00 1.00 C ATOM 554 C VAL A 65 3.881 -3.333 -7.314 1.00 1.00 C ATOM 555 O VAL A 65 3.618 -3.350 -6.113 1.00 1.00 O ATOM 556 CB VAL A 65 2.324 -3.928 -9.246 1.00 1.00 C ATOM 557 CG1 VAL A 65 2.086 -5.223 -8.467 1.00 1.00 C ATOM 558 CG2 VAL A 65 1.051 -3.479 -9.965 1.00 1.00 C ATOM 0 H VAL A 65 3.502 -1.953 -10.119 1.00 1.00 H new ATOM 0 HA VAL A 65 1.997 -2.452 -7.765 1.00 1.00 H new ATOM 0 HB VAL A 65 3.083 -4.127 -10.002 1.00 1.00 H new ATOM 0 HG11 VAL A 65 1.710 -5.991 -9.143 1.00 1.00 H new ATOM 0 HG12 VAL A 65 3.023 -5.558 -8.023 1.00 1.00 H new ATOM 0 HG13 VAL A 65 1.355 -5.044 -7.679 1.00 1.00 H new ATOM 0 HG21 VAL A 65 0.696 -4.282 -10.611 1.00 1.00 H new ATOM 0 HG22 VAL A 65 0.283 -3.239 -9.230 1.00 1.00 H new ATOM 0 HG23 VAL A 65 1.265 -2.596 -10.567 1.00 1.00 H new ATOM 568 N ARG A 66 5.031 -3.734 -7.836 1.00 1.00 N ATOM 569 CA ARG A 66 6.100 -4.241 -6.992 1.00 1.00 C ATOM 570 C ARG A 66 6.257 -3.362 -5.750 1.00 1.00 C ATOM 571 O ARG A 66 6.085 -3.832 -4.626 1.00 1.00 O ATOM 572 CB ARG A 66 7.428 -4.283 -7.751 1.00 1.00 C ATOM 573 CG ARG A 66 7.425 -5.397 -8.799 1.00 1.00 C ATOM 574 CD ARG A 66 8.850 -5.857 -9.114 1.00 1.00 C ATOM 575 NE ARG A 66 8.869 -7.317 -9.356 1.00 1.00 N ATOM 576 CZ ARG A 66 8.534 -8.241 -8.431 1.00 1.00 C ATOM 577 NH1 ARG A 66 8.587 -9.520 -8.755 1.00 1.00 N ATOM 578 NH2 ARG A 66 8.150 -7.865 -7.193 1.00 1.00 N ATOM 0 H ARG A 66 5.246 -3.718 -8.833 1.00 1.00 H new ATOM 0 HA ARG A 66 5.834 -5.255 -6.692 1.00 1.00 H new ATOM 0 HB2 ARG A 66 7.604 -3.323 -8.236 1.00 1.00 H new ATOM 0 HB3 ARG A 66 8.247 -4.441 -7.049 1.00 1.00 H new ATOM 0 HG2 ARG A 66 6.838 -6.241 -8.436 1.00 1.00 H new ATOM 0 HG3 ARG A 66 6.944 -5.043 -9.710 1.00 1.00 H new ATOM 0 HD2 ARG A 66 9.226 -5.330 -9.991 1.00 1.00 H new ATOM 0 HD3 ARG A 66 9.513 -5.609 -8.285 1.00 1.00 H new ATOM 0 HE ARG A 66 9.153 -7.645 -10.279 1.00 1.00 H new ATOM 0 HH11 ARG A 66 8.878 -9.797 -9.693 1.00 1.00 H new ATOM 0 HH12 ARG A 66 8.337 -10.231 -8.068 1.00 1.00 H new ATOM 0 HH21 ARG A 66 8.111 -6.875 -6.950 1.00 1.00 H new ATOM 0 HH22 ARG A 66 7.899 -8.571 -6.501 1.00 1.00 H new ATOM 588 N ASP A 67 6.582 -2.101 -5.994 1.00 1.00 N ATOM 589 CA ASP A 67 6.765 -1.151 -4.909 1.00 1.00 C ATOM 590 C ASP A 67 5.751 -1.447 -3.802 1.00 1.00 C ATOM 591 O ASP A 67 6.070 -1.342 -2.619 1.00 1.00 O ATOM 592 CB ASP A 67 6.537 0.283 -5.388 1.00 1.00 C ATOM 593 CG ASP A 67 7.751 0.949 -6.040 1.00 1.00 C ATOM 594 OD1 ASP A 67 8.716 0.275 -6.430 1.00 1.00 O ATOM 595 OD2 ASP A 67 7.679 2.233 -6.142 1.00 1.00 O ATOM 0 H ASP A 67 6.723 -1.715 -6.927 1.00 1.00 H new ATOM 0 HA ASP A 67 7.787 -1.250 -4.543 1.00 1.00 H new ATOM 0 HB2 ASP A 67 5.714 0.285 -6.102 1.00 1.00 H new ATOM 0 HB3 ASP A 67 6.223 0.888 -4.538 1.00 1.00 H new ATOM 601 N VAL A 68 4.550 -1.811 -4.226 1.00 1.00 N ATOM 602 CA VAL A 68 3.487 -2.123 -3.286 1.00 1.00 C ATOM 603 C VAL A 68 3.568 -3.602 -2.903 1.00 1.00 C ATOM 604 O VAL A 68 2.572 -4.321 -2.972 1.00 1.00 O ATOM 605 CB VAL A 68 2.132 -1.733 -3.879 1.00 1.00 C ATOM 606 CG1 VAL A 68 0.990 -2.116 -2.936 1.00 1.00 C ATOM 607 CG2 VAL A 68 2.089 -0.241 -4.214 1.00 1.00 C ATOM 0 H VAL A 68 4.289 -1.897 -5.208 1.00 1.00 H new ATOM 0 HA VAL A 68 3.605 -1.543 -2.371 1.00 1.00 H new ATOM 0 HB VAL A 68 2.001 -2.289 -4.807 1.00 1.00 H new ATOM 0 HG11 VAL A 68 0.038 -1.828 -3.382 1.00 1.00 H new ATOM 0 HG12 VAL A 68 1.001 -3.193 -2.770 1.00 1.00 H new ATOM 0 HG13 VAL A 68 1.116 -1.600 -1.984 1.00 1.00 H new ATOM 0 HG21 VAL A 68 1.115 0.010 -4.634 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.254 0.340 -3.307 1.00 1.00 H new ATOM 0 HG23 VAL A 68 2.868 -0.009 -4.940 1.00 1.00 H new ATOM 617 N ALA A 69 4.764 -4.013 -2.507 1.00 1.00 N ATOM 618 CA ALA A 69 4.989 -5.394 -2.114 1.00 1.00 C ATOM 619 C ALA A 69 6.306 -5.492 -1.342 1.00 1.00 C ATOM 620 O ALA A 69 6.386 -6.185 -0.329 1.00 1.00 O ATOM 621 CB ALA A 69 4.972 -6.288 -3.355 1.00 1.00 C ATOM 0 H ALA A 69 5.587 -3.414 -2.450 1.00 1.00 H new ATOM 0 HA ALA A 69 4.194 -5.739 -1.454 1.00 1.00 H new ATOM 0 HB1 ALA A 69 5.141 -7.324 -3.060 1.00 1.00 H new ATOM 0 HB2 ALA A 69 4.004 -6.205 -3.850 1.00 1.00 H new ATOM 0 HB3 ALA A 69 5.759 -5.973 -4.041 1.00 1.00 H new ATOM 627 N ALA A 70 7.307 -4.788 -1.851 1.00 1.00 N ATOM 628 CA ALA A 70 8.616 -4.787 -1.222 1.00 1.00 C ATOM 629 C ALA A 70 8.575 -3.911 0.032 1.00 1.00 C ATOM 630 O ALA A 70 8.738 -4.376 1.158 1.00 1.00 O ATOM 631 CB ALA A 70 9.666 -4.312 -2.229 1.00 1.00 C ATOM 0 H ALA A 70 7.237 -4.215 -2.692 1.00 1.00 H new ATOM 0 HA ALA A 70 8.892 -5.795 -0.912 1.00 1.00 H new ATOM 0 HB1 ALA A 70 10.649 -4.311 -1.757 1.00 1.00 H new ATOM 0 HB2 ALA A 70 9.676 -4.983 -3.088 1.00 1.00 H new ATOM 0 HB3 ALA A 70 9.422 -3.303 -2.560 1.00 1.00 H new ATOM 637 N TYR A 71 8.349 -2.615 -0.192 1.00 1.00 N ATOM 638 CA TYR A 71 8.282 -1.654 0.891 1.00 1.00 C ATOM 639 C TYR A 71 7.404 -2.197 2.009 1.00 1.00 C ATOM 640 O TYR A 71 7.872 -2.283 3.144 1.00 1.00 O ATOM 641 CB TYR A 71 7.730 -0.333 0.363 1.00 1.00 C ATOM 642 CG TYR A 71 8.783 0.735 0.192 1.00 1.00 C ATOM 643 CD1 TYR A 71 8.566 2.021 0.701 1.00 1.00 C ATOM 644 CD2 TYR A 71 9.977 0.440 -0.477 1.00 1.00 C ATOM 645 CE1 TYR A 71 9.542 3.011 0.543 1.00 1.00 C ATOM 646 CE2 TYR A 71 10.954 1.431 -0.635 1.00 1.00 C ATOM 647 CZ TYR A 71 10.737 2.716 -0.125 1.00 1.00 C ATOM 648 OH TYR A 71 11.688 3.681 -0.279 1.00 1.00 O ATOM 0 H TYR A 71 8.210 -2.214 -1.119 1.00 1.00 H new ATOM 0 HA TYR A 71 9.281 -1.482 1.292 1.00 1.00 H new ATOM 0 HB2 TYR A 71 7.244 -0.509 -0.596 1.00 1.00 H new ATOM 0 HB3 TYR A 71 6.963 0.030 1.047 1.00 1.00 H new ATOM 0 HD1 TYR A 71 7.645 2.249 1.216 1.00 1.00 H new ATOM 0 HD2 TYR A 71 10.145 -0.551 -0.871 1.00 1.00 H new ATOM 0 HE1 TYR A 71 9.374 4.003 0.936 1.00 1.00 H new ATOM 0 HE2 TYR A 71 11.875 1.203 -1.151 1.00 1.00 H new ATOM 0 HH TYR A 71 12.455 3.310 -0.764 1.00 1.00 H new ATOM 658 N ILE A 72 6.170 -2.548 1.678 1.00 1.00 N ATOM 659 CA ILE A 72 5.251 -3.078 2.671 1.00 1.00 C ATOM 660 C ILE A 72 6.008 -4.021 3.608 1.00 1.00 C ATOM 661 O ILE A 72 5.734 -4.062 4.807 1.00 1.00 O ATOM 662 CB ILE A 72 4.043 -3.726 1.990 1.00 1.00 C ATOM 663 CG1 ILE A 72 4.482 -4.855 1.055 1.00 1.00 C ATOM 664 CG2 ILE A 72 3.194 -2.679 1.267 1.00 1.00 C ATOM 665 CD1 ILE A 72 3.416 -5.950 0.980 1.00 1.00 C ATOM 0 H ILE A 72 5.785 -2.476 0.736 1.00 1.00 H new ATOM 0 HA ILE A 72 4.848 -2.273 3.286 1.00 1.00 H new ATOM 0 HB ILE A 72 3.414 -4.172 2.761 1.00 1.00 H new ATOM 0 HG12 ILE A 72 4.668 -4.455 0.058 1.00 1.00 H new ATOM 0 HG13 ILE A 72 5.421 -5.280 1.408 1.00 1.00 H new ATOM 0 HG21 ILE A 72 2.342 -3.166 0.792 1.00 1.00 H new ATOM 0 HG22 ILE A 72 2.836 -1.942 1.985 1.00 1.00 H new ATOM 0 HG23 ILE A 72 3.798 -2.182 0.508 1.00 1.00 H new ATOM 0 HD11 ILE A 72 3.753 -6.740 0.309 1.00 1.00 H new ATOM 0 HD12 ILE A 72 3.250 -6.365 1.974 1.00 1.00 H new ATOM 0 HD13 ILE A 72 2.485 -5.526 0.603 1.00 1.00 H new ATOM 677 N ARG A 73 6.945 -4.755 3.027 1.00 1.00 N ATOM 678 CA ARG A 73 7.744 -5.695 3.796 1.00 1.00 C ATOM 679 C ARG A 73 8.647 -4.945 4.778 1.00 1.00 C ATOM 680 O ARG A 73 8.563 -5.153 5.987 1.00 1.00 O ATOM 681 CB ARG A 73 8.608 -6.562 2.879 1.00 1.00 C ATOM 682 CG ARG A 73 9.140 -7.787 3.626 1.00 1.00 C ATOM 683 CD ARG A 73 8.902 -9.066 2.820 1.00 1.00 C ATOM 684 NE ARG A 73 9.972 -10.049 3.104 1.00 1.00 N ATOM 685 CZ ARG A 73 10.255 -11.108 2.316 1.00 1.00 C ATOM 686 NH1 ARG A 73 11.233 -11.923 2.666 1.00 1.00 N ATOM 687 NH2 ARG A 73 9.550 -11.329 1.186 1.00 1.00 N ATOM 0 H ARG A 73 7.169 -4.718 2.033 1.00 1.00 H new ATOM 0 HA ARG A 73 7.059 -6.340 4.347 1.00 1.00 H new ATOM 0 HB2 ARG A 73 8.022 -6.883 2.018 1.00 1.00 H new ATOM 0 HB3 ARG A 73 9.442 -5.974 2.496 1.00 1.00 H new ATOM 0 HG2 ARG A 73 10.206 -7.666 3.817 1.00 1.00 H new ATOM 0 HG3 ARG A 73 8.649 -7.867 4.596 1.00 1.00 H new ATOM 0 HD2 ARG A 73 7.930 -9.490 3.073 1.00 1.00 H new ATOM 0 HD3 ARG A 73 8.881 -8.836 1.755 1.00 1.00 H new ATOM 0 HE ARG A 73 10.530 -9.918 3.948 1.00 1.00 H new ATOM 0 HH11 ARG A 73 11.762 -11.748 3.521 1.00 1.00 H new ATOM 0 HH12 ARG A 73 11.460 -12.728 2.082 1.00 1.00 H new ATOM 0 HH21 ARG A 73 8.797 -10.693 0.922 1.00 1.00 H new ATOM 0 HH22 ARG A 73 9.770 -12.131 0.596 1.00 1.00 H new ATOM 697 N ASN A 74 9.489 -4.088 4.220 1.00 1.00 N ATOM 698 CA ASN A 74 10.407 -3.306 5.032 1.00 1.00 C ATOM 699 C ASN A 74 10.293 -1.830 4.644 1.00 1.00 C ATOM 700 O ASN A 74 11.167 -1.255 3.999 1.00 1.00 O ATOM 701 CB ASN A 74 11.855 -3.744 4.803 1.00 1.00 C ATOM 702 CG ASN A 74 12.720 -3.439 6.027 1.00 1.00 C ATOM 703 OD1 ASN A 74 12.262 -2.914 7.028 1.00 1.00 O ATOM 704 ND2 ASN A 74 13.994 -3.795 5.891 1.00 1.00 N ATOM 0 H ASN A 74 9.555 -3.918 3.217 1.00 1.00 H new ATOM 0 HA ASN A 74 10.145 -3.459 6.079 1.00 1.00 H new ATOM 0 HB2 ASN A 74 11.886 -4.812 4.588 1.00 1.00 H new ATOM 0 HB3 ASN A 74 12.260 -3.232 3.930 1.00 1.00 H new ATOM 0 HD21 ASN A 74 14.653 -3.632 6.652 1.00 1.00 H new ATOM 0 HD22 ASN A 74 14.312 -4.231 5.025 1.00 1.00 H new ATOM 711 N PRO A 75 9.179 -1.222 5.059 1.00 1.00 N ATOM 712 CA PRO A 75 8.866 0.168 4.807 1.00 1.00 C ATOM 713 C PRO A 75 9.535 1.041 5.858 1.00 1.00 C ATOM 714 O PRO A 75 10.132 0.499 6.787 1.00 1.00 O ATOM 715 CB PRO A 75 7.345 0.252 4.913 1.00 1.00 C ATOM 716 CG PRO A 75 6.992 -0.851 5.863 1.00 1.00 C ATOM 717 CD PRO A 75 8.131 -1.868 5.819 1.00 1.00 C ATOM 0 HA PRO A 75 9.220 0.513 3.835 1.00 1.00 H new ATOM 0 HB2 PRO A 75 7.023 1.223 5.290 1.00 1.00 H new ATOM 0 HB3 PRO A 75 6.868 0.113 3.943 1.00 1.00 H new ATOM 0 HG2 PRO A 75 6.863 -0.462 6.873 1.00 1.00 H new ATOM 0 HG3 PRO A 75 6.049 -1.317 5.578 1.00 1.00 H new ATOM 0 HD2 PRO A 75 8.471 -2.124 6.823 1.00 1.00 H new ATOM 0 HD3 PRO A 75 7.813 -2.796 5.344 1.00 1.00 H new ATOM 725 N GLY A 76 9.428 2.352 5.698 1.00 1.00 N ATOM 726 CA GLY A 76 10.032 3.274 6.644 1.00 1.00 C ATOM 727 C GLY A 76 9.077 3.577 7.800 1.00 1.00 C ATOM 728 O GLY A 76 8.034 2.948 7.967 1.00 1.00 O ATOM 0 H GLY A 76 8.931 2.798 4.926 1.00 1.00 H new ATOM 0 HA2 GLY A 76 10.956 2.847 7.033 1.00 1.00 H new ATOM 0 HA3 GLY A 76 10.298 4.200 6.135 1.00 1.00 H new ATOM 732 N PRO A 77 9.462 4.570 8.605 1.00 1.00 N ATOM 733 CA PRO A 77 8.713 5.024 9.757 1.00 1.00 C ATOM 734 C PRO A 77 7.343 5.517 9.311 1.00 1.00 C ATOM 735 O PRO A 77 7.212 5.954 8.169 1.00 1.00 O ATOM 736 CB PRO A 77 9.543 6.166 10.339 1.00 1.00 C ATOM 737 CG PRO A 77 10.467 6.604 9.251 1.00 1.00 C ATOM 738 CD PRO A 77 10.682 5.330 8.438 1.00 1.00 C ATOM 0 HA PRO A 77 8.545 4.237 10.492 1.00 1.00 H new ATOM 0 HB2 PRO A 77 8.903 6.988 10.661 1.00 1.00 H new ATOM 0 HB3 PRO A 77 10.101 5.835 11.215 1.00 1.00 H new ATOM 0 HG2 PRO A 77 10.028 7.398 8.646 1.00 1.00 H new ATOM 0 HG3 PRO A 77 11.405 6.989 9.651 1.00 1.00 H new ATOM 0 HD2 PRO A 77 10.865 5.558 7.388 1.00 1.00 H new ATOM 0 HD3 PRO A 77 11.547 4.773 8.798 1.00 1.00 H new ATOM 746 N GLY A 78 6.366 5.440 10.203 1.00 1.00 N ATOM 747 CA GLY A 78 5.021 5.883 9.878 1.00 1.00 C ATOM 748 C GLY A 78 4.132 4.699 9.491 1.00 1.00 C ATOM 749 O GLY A 78 2.939 4.689 9.791 1.00 1.00 O ATOM 0 H GLY A 78 6.479 5.078 11.150 1.00 1.00 H new ATOM 0 HA2 GLY A 78 4.589 6.403 10.733 1.00 1.00 H new ATOM 0 HA3 GLY A 78 5.058 6.598 9.056 1.00 1.00 H new ATOM 753 N MET A 79 4.748 3.729 8.831 1.00 1.00 N ATOM 754 CA MET A 79 4.028 2.543 8.400 1.00 1.00 C ATOM 755 C MET A 79 4.641 1.279 9.005 1.00 1.00 C ATOM 756 O MET A 79 5.850 1.057 8.966 1.00 1.00 O ATOM 757 CB MET A 79 4.066 2.449 6.873 1.00 1.00 C ATOM 758 CG MET A 79 2.846 1.696 6.339 1.00 1.00 C ATOM 759 SD MET A 79 2.620 2.052 4.605 1.00 1.00 S ATOM 760 CE MET A 79 3.127 0.492 3.899 1.00 1.00 C ATOM 0 H MET A 79 5.738 3.740 8.584 1.00 1.00 H new ATOM 0 HA MET A 79 2.996 2.623 8.742 1.00 1.00 H new ATOM 0 HB2 MET A 79 4.096 3.451 6.444 1.00 1.00 H new ATOM 0 HB3 MET A 79 4.978 1.941 6.559 1.00 1.00 H new ATOM 0 HG2 MET A 79 2.978 0.624 6.484 1.00 1.00 H new ATOM 0 HG3 MET A 79 1.956 1.986 6.897 1.00 1.00 H new ATOM 0 HE1 MET A 79 3.047 0.541 2.813 1.00 1.00 H new ATOM 0 HE2 MET A 79 4.160 0.285 4.177 1.00 1.00 H new ATOM 0 HE3 MET A 79 2.484 -0.304 4.275 1.00 1.00 H new ATOM 770 N PRO A 80 3.768 0.444 9.573 1.00 1.00 N ATOM 771 CA PRO A 80 4.128 -0.808 10.203 1.00 1.00 C ATOM 772 C PRO A 80 4.921 -1.663 9.225 1.00 1.00 C ATOM 773 O PRO A 80 5.682 -1.108 8.434 1.00 1.00 O ATOM 774 CB PRO A 80 2.795 -1.468 10.552 1.00 1.00 C ATOM 775 CG PRO A 80 1.814 -0.384 10.603 1.00 1.00 C ATOM 776 CD PRO A 80 2.341 0.674 9.637 1.00 1.00 C ATOM 0 HA PRO A 80 4.752 -0.674 11.087 1.00 1.00 H new ATOM 0 HB2 PRO A 80 2.519 -2.210 9.803 1.00 1.00 H new ATOM 0 HB3 PRO A 80 2.854 -1.987 11.509 1.00 1.00 H new ATOM 0 HG2 PRO A 80 0.825 -0.733 10.305 1.00 1.00 H new ATOM 0 HG3 PRO A 80 1.720 0.016 11.613 1.00 1.00 H new ATOM 0 HD2 PRO A 80 1.881 0.575 8.654 1.00 1.00 H new ATOM 0 HD3 PRO A 80 2.119 1.680 9.993 1.00 1.00 H new ATOM 784 N ALA A 81 4.735 -2.972 9.295 1.00 1.00 N ATOM 785 CA ALA A 81 5.445 -3.877 8.407 1.00 1.00 C ATOM 786 C ALA A 81 4.558 -5.087 8.103 1.00 1.00 C ATOM 787 O ALA A 81 3.520 -5.274 8.735 1.00 1.00 O ATOM 788 CB ALA A 81 6.777 -4.277 9.044 1.00 1.00 C ATOM 0 H ALA A 81 4.103 -3.428 9.953 1.00 1.00 H new ATOM 0 HA ALA A 81 5.670 -3.387 7.460 1.00 1.00 H new ATOM 0 HB1 ALA A 81 7.310 -4.956 8.378 1.00 1.00 H new ATOM 0 HB2 ALA A 81 7.382 -3.386 9.213 1.00 1.00 H new ATOM 0 HB3 ALA A 81 6.590 -4.775 9.996 1.00 1.00 H new ATOM 794 N PHE A 82 5.000 -5.876 7.135 1.00 1.00 N ATOM 795 CA PHE A 82 4.260 -7.062 6.740 1.00 1.00 C ATOM 796 C PHE A 82 5.188 -8.103 6.109 1.00 1.00 C ATOM 797 O PHE A 82 5.651 -7.925 4.984 1.00 1.00 O ATOM 798 CB PHE A 82 3.228 -6.620 5.700 1.00 1.00 C ATOM 799 CG PHE A 82 2.205 -5.612 6.229 1.00 1.00 C ATOM 800 CD1 PHE A 82 2.524 -4.292 6.298 1.00 1.00 C ATOM 801 CD2 PHE A 82 0.977 -6.037 6.630 1.00 1.00 C ATOM 802 CE1 PHE A 82 1.574 -3.357 6.788 1.00 1.00 C ATOM 803 CE2 PHE A 82 0.027 -5.102 7.121 1.00 1.00 C ATOM 804 CZ PHE A 82 0.346 -3.782 7.189 1.00 1.00 C ATOM 0 H PHE A 82 5.861 -5.717 6.613 1.00 1.00 H new ATOM 0 HA PHE A 82 3.790 -7.515 7.613 1.00 1.00 H new ATOM 0 HB2 PHE A 82 3.749 -6.181 4.849 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.700 -7.499 5.331 1.00 1.00 H new ATOM 0 HD1 PHE A 82 3.500 -3.955 5.980 1.00 1.00 H new ATOM 0 HD2 PHE A 82 0.724 -7.086 6.575 1.00 1.00 H new ATOM 0 HE1 PHE A 82 1.827 -2.308 6.842 1.00 1.00 H new ATOM 0 HE2 PHE A 82 -0.948 -5.439 7.440 1.00 1.00 H new ATOM 0 HZ PHE A 82 -0.376 -3.071 7.562 1.00 1.00 H new ATOM 814 N GLY A 83 5.431 -9.165 6.862 1.00 1.00 N ATOM 815 CA GLY A 83 6.295 -10.234 6.391 1.00 1.00 C ATOM 816 C GLY A 83 5.473 -11.432 5.911 1.00 1.00 C ATOM 817 O GLY A 83 4.256 -11.335 5.763 1.00 1.00 O ATOM 0 H GLY A 83 5.045 -9.308 7.795 1.00 1.00 H new ATOM 0 HA2 GLY A 83 6.921 -9.868 5.577 1.00 1.00 H new ATOM 0 HA3 GLY A 83 6.964 -10.545 7.193 1.00 1.00 H new ATOM 821 N GLU A 84 6.172 -12.534 5.681 1.00 1.00 N ATOM 822 CA GLU A 84 5.522 -13.750 5.221 1.00 1.00 C ATOM 823 C GLU A 84 4.819 -14.450 6.386 1.00 1.00 C ATOM 824 O GLU A 84 4.254 -15.529 6.216 1.00 1.00 O ATOM 825 CB GLU A 84 6.525 -14.685 4.543 1.00 1.00 C ATOM 826 CG GLU A 84 7.572 -15.182 5.542 1.00 1.00 C ATOM 827 CD GLU A 84 8.494 -16.220 4.899 1.00 1.00 C ATOM 828 OE1 GLU A 84 8.047 -17.329 4.572 1.00 1.00 O ATOM 829 OE2 GLU A 84 9.717 -15.840 4.741 1.00 1.00 O ATOM 0 H GLU A 84 7.182 -12.610 5.805 1.00 1.00 H new ATOM 0 HA GLU A 84 4.770 -13.479 4.480 1.00 1.00 H new ATOM 0 HB2 GLU A 84 5.999 -15.535 4.109 1.00 1.00 H new ATOM 0 HB3 GLU A 84 7.018 -14.163 3.723 1.00 1.00 H new ATOM 0 HG2 GLU A 84 8.163 -14.340 5.904 1.00 1.00 H new ATOM 0 HG3 GLU A 84 7.075 -15.619 6.408 1.00 1.00 H new ATOM 837 N ALA A 85 4.879 -13.807 7.543 1.00 1.00 N ATOM 838 CA ALA A 85 4.255 -14.355 8.736 1.00 1.00 C ATOM 839 C ALA A 85 2.740 -14.418 8.531 1.00 1.00 C ATOM 840 O ALA A 85 2.102 -15.405 8.894 1.00 1.00 O ATOM 841 CB ALA A 85 4.645 -13.509 9.950 1.00 1.00 C ATOM 0 H ALA A 85 5.350 -12.912 7.680 1.00 1.00 H new ATOM 0 HA ALA A 85 4.605 -15.371 8.920 1.00 1.00 H new ATOM 0 HB1 ALA A 85 4.177 -13.919 10.845 1.00 1.00 H new ATOM 0 HB2 ALA A 85 5.728 -13.521 10.069 1.00 1.00 H new ATOM 0 HB3 ALA A 85 4.307 -12.483 9.802 1.00 1.00 H new ATOM 847 N MET A 86 2.209 -13.352 7.951 1.00 1.00 N ATOM 848 CA MET A 86 0.781 -13.275 7.694 1.00 1.00 C ATOM 849 C MET A 86 0.497 -13.215 6.192 1.00 1.00 C ATOM 850 O MET A 86 -0.266 -14.026 5.668 1.00 1.00 O ATOM 851 CB MET A 86 0.207 -12.029 8.372 1.00 1.00 C ATOM 852 CG MET A 86 -1.311 -12.140 8.528 1.00 1.00 C ATOM 853 SD MET A 86 -1.902 -10.885 9.652 1.00 1.00 S ATOM 854 CE MET A 86 -1.312 -11.553 11.199 1.00 1.00 C ATOM 0 H MET A 86 2.741 -12.535 7.652 1.00 1.00 H new ATOM 0 HA MET A 86 0.309 -14.170 8.099 1.00 1.00 H new ATOM 0 HB2 MET A 86 0.668 -11.898 9.351 1.00 1.00 H new ATOM 0 HB3 MET A 86 0.452 -11.145 7.784 1.00 1.00 H new ATOM 0 HG2 MET A 86 -1.794 -12.027 7.557 1.00 1.00 H new ATOM 0 HG3 MET A 86 -1.575 -13.129 8.902 1.00 1.00 H new ATOM 0 HE1 MET A 86 -1.942 -11.196 12.013 1.00 1.00 H new ATOM 0 HE2 MET A 86 -1.349 -12.642 11.163 1.00 1.00 H new ATOM 0 HE3 MET A 86 -0.285 -11.230 11.367 1.00 1.00 H new ATOM 864 N ILE A 87 1.125 -12.248 5.541 1.00 1.00 N ATOM 865 CA ILE A 87 0.950 -12.072 4.109 1.00 1.00 C ATOM 866 C ILE A 87 2.292 -12.283 3.405 1.00 1.00 C ATOM 867 O ILE A 87 3.254 -11.544 3.599 1.00 1.00 O ATOM 868 CB ILE A 87 0.306 -10.717 3.810 1.00 1.00 C ATOM 869 CG1 ILE A 87 -0.950 -10.508 4.659 1.00 1.00 C ATOM 870 CG2 ILE A 87 0.020 -10.563 2.315 1.00 1.00 C ATOM 871 CD1 ILE A 87 -1.942 -9.582 3.952 1.00 1.00 C ATOM 0 H ILE A 87 1.757 -11.577 5.979 1.00 1.00 H new ATOM 0 HA ILE A 87 0.262 -12.820 3.715 1.00 1.00 H new ATOM 0 HB ILE A 87 1.014 -9.935 4.084 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -1.423 -11.470 4.858 1.00 1.00 H new ATOM 0 HG13 ILE A 87 -0.674 -10.083 5.624 1.00 1.00 H new ATOM 0 HG21 ILE A 87 -0.438 -9.591 2.130 1.00 1.00 H new ATOM 0 HG22 ILE A 87 0.953 -10.637 1.757 1.00 1.00 H new ATOM 0 HG23 ILE A 87 -0.660 -11.351 1.991 1.00 1.00 H new ATOM 0 HD11 ILE A 87 -2.825 -9.450 4.577 1.00 1.00 H new ATOM 0 HD12 ILE A 87 -1.474 -8.613 3.776 1.00 1.00 H new ATOM 0 HD13 ILE A 87 -2.234 -10.022 2.998 1.00 1.00 H new ATOM 883 N PRO A 88 2.334 -13.325 2.572 1.00 1.00 N ATOM 884 CA PRO A 88 3.498 -13.708 1.802 1.00 1.00 C ATOM 885 C PRO A 88 3.698 -12.728 0.656 1.00 1.00 C ATOM 886 O PRO A 88 2.732 -12.176 0.133 1.00 1.00 O ATOM 887 CB PRO A 88 3.178 -15.106 1.278 1.00 1.00 C ATOM 888 CG PRO A 88 1.700 -15.139 1.202 1.00 1.00 C ATOM 889 CD PRO A 88 1.221 -14.216 2.320 1.00 1.00 C ATOM 0 HA PRO A 88 4.416 -13.701 2.389 1.00 1.00 H new ATOM 0 HB2 PRO A 88 3.630 -15.278 0.301 1.00 1.00 H new ATOM 0 HB3 PRO A 88 3.559 -15.878 1.946 1.00 1.00 H new ATOM 0 HG2 PRO A 88 1.348 -14.795 0.229 1.00 1.00 H new ATOM 0 HG3 PRO A 88 1.321 -16.152 1.338 1.00 1.00 H new ATOM 0 HD2 PRO A 88 0.332 -13.662 2.020 1.00 1.00 H new ATOM 0 HD3 PRO A 88 0.958 -14.782 3.214 1.00 1.00 H new ATOM 897 N PRO A 89 4.956 -12.510 0.266 1.00 1.00 N ATOM 898 CA PRO A 89 5.335 -11.613 -0.804 1.00 1.00 C ATOM 899 C PRO A 89 4.532 -11.942 -2.054 1.00 1.00 C ATOM 900 O PRO A 89 4.098 -11.019 -2.741 1.00 1.00 O ATOM 901 CB PRO A 89 6.824 -11.875 -1.025 1.00 1.00 C ATOM 902 CG PRO A 89 7.161 -13.169 -0.253 1.00 1.00 C ATOM 903 CD PRO A 89 6.115 -13.142 0.859 1.00 1.00 C ATOM 0 HA PRO A 89 5.143 -10.566 -0.569 1.00 1.00 H new ATOM 0 HB2 PRO A 89 7.045 -11.988 -2.086 1.00 1.00 H new ATOM 0 HB3 PRO A 89 7.423 -11.040 -0.662 1.00 1.00 H new ATOM 0 HG2 PRO A 89 7.070 -14.056 -0.880 1.00 1.00 H new ATOM 0 HG3 PRO A 89 8.178 -13.159 0.140 1.00 1.00 H new ATOM 0 HD2 PRO A 89 5.882 -14.149 1.206 1.00 1.00 H new ATOM 0 HD3 PRO A 89 6.472 -12.581 1.723 1.00 1.00 H new ATOM 911 N ALA A 90 4.352 -13.227 -2.324 1.00 1.00 N ATOM 912 CA ALA A 90 3.602 -13.648 -3.494 1.00 1.00 C ATOM 913 C ALA A 90 2.155 -13.169 -3.366 1.00 1.00 C ATOM 914 O ALA A 90 1.487 -12.923 -4.370 1.00 1.00 O ATOM 915 CB ALA A 90 3.702 -15.167 -3.646 1.00 1.00 C ATOM 0 H ALA A 90 4.713 -13.990 -1.752 1.00 1.00 H new ATOM 0 HA ALA A 90 4.018 -13.202 -4.397 1.00 1.00 H new ATOM 0 HB1 ALA A 90 3.139 -15.483 -4.524 1.00 1.00 H new ATOM 0 HB2 ALA A 90 4.747 -15.453 -3.763 1.00 1.00 H new ATOM 0 HB3 ALA A 90 3.291 -15.649 -2.759 1.00 1.00 H new ATOM 921 N ASP A 91 1.712 -13.050 -2.123 1.00 1.00 N ATOM 922 CA ASP A 91 0.356 -12.605 -1.851 1.00 1.00 C ATOM 923 C ASP A 91 0.317 -11.075 -1.849 1.00 1.00 C ATOM 924 O ASP A 91 -0.759 -10.478 -1.865 1.00 1.00 O ATOM 925 CB ASP A 91 -0.119 -13.091 -0.481 1.00 1.00 C ATOM 926 CG ASP A 91 -0.514 -14.568 -0.420 1.00 1.00 C ATOM 927 OD1 ASP A 91 0.043 -15.408 -1.142 1.00 1.00 O ATOM 928 OD2 ASP A 91 -1.449 -14.848 0.423 1.00 1.00 O ATOM 0 H ASP A 91 2.268 -13.254 -1.293 1.00 1.00 H new ATOM 0 HA ASP A 91 -0.294 -13.014 -2.624 1.00 1.00 H new ATOM 0 HB2 ASP A 91 0.673 -12.912 0.246 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -0.974 -12.489 -0.175 1.00 1.00 H new ATOM 934 N ALA A 92 1.503 -10.485 -1.831 1.00 1.00 N ATOM 935 CA ALA A 92 1.618 -9.036 -1.827 1.00 1.00 C ATOM 936 C ALA A 92 1.490 -8.515 -3.259 1.00 1.00 C ATOM 937 O ALA A 92 0.872 -7.477 -3.493 1.00 1.00 O ATOM 938 CB ALA A 92 2.941 -8.631 -1.175 1.00 1.00 C ATOM 0 H ALA A 92 2.393 -10.984 -1.819 1.00 1.00 H new ATOM 0 HA ALA A 92 0.815 -8.589 -1.241 1.00 1.00 H new ATOM 0 HB1 ALA A 92 3.027 -7.544 -1.172 1.00 1.00 H new ATOM 0 HB2 ALA A 92 2.969 -9.000 -0.150 1.00 1.00 H new ATOM 0 HB3 ALA A 92 3.770 -9.059 -1.738 1.00 1.00 H new ATOM 944 N LEU A 93 2.083 -9.259 -4.181 1.00 1.00 N ATOM 945 CA LEU A 93 2.043 -8.884 -5.584 1.00 1.00 C ATOM 946 C LEU A 93 0.587 -8.831 -6.052 1.00 1.00 C ATOM 947 O LEU A 93 0.290 -8.265 -7.103 1.00 1.00 O ATOM 948 CB LEU A 93 2.922 -9.822 -6.414 1.00 1.00 C ATOM 949 CG LEU A 93 4.428 -9.731 -6.160 1.00 1.00 C ATOM 950 CD1 LEU A 93 5.155 -10.950 -6.732 1.00 1.00 C ATOM 951 CD2 LEU A 93 4.997 -8.418 -6.701 1.00 1.00 C ATOM 0 H LEU A 93 2.594 -10.120 -3.984 1.00 1.00 H new ATOM 0 HA LEU A 93 2.460 -7.887 -5.724 1.00 1.00 H new ATOM 0 HB2 LEU A 93 2.603 -10.847 -6.226 1.00 1.00 H new ATOM 0 HB3 LEU A 93 2.739 -9.620 -7.469 1.00 1.00 H new ATOM 0 HG LEU A 93 4.594 -9.734 -5.083 1.00 1.00 H new ATOM 0 HD11 LEU A 93 6.224 -10.860 -6.538 1.00 1.00 H new ATOM 0 HD12 LEU A 93 4.775 -11.855 -6.259 1.00 1.00 H new ATOM 0 HD13 LEU A 93 4.985 -11.004 -7.807 1.00 1.00 H new ATOM 0 HD21 LEU A 93 6.069 -8.379 -6.507 1.00 1.00 H new ATOM 0 HD22 LEU A 93 4.820 -8.360 -7.775 1.00 1.00 H new ATOM 0 HD23 LEU A 93 4.508 -7.579 -6.207 1.00 1.00 H new ATOM 963 N LYS A 94 -0.281 -9.428 -5.249 1.00 1.00 N ATOM 964 CA LYS A 94 -1.698 -9.455 -5.568 1.00 1.00 C ATOM 965 C LYS A 94 -2.363 -8.187 -5.028 1.00 1.00 C ATOM 966 O LYS A 94 -3.359 -7.722 -5.579 1.00 1.00 O ATOM 967 CB LYS A 94 -2.337 -10.749 -5.058 1.00 1.00 C ATOM 968 CG LYS A 94 -3.856 -10.720 -5.241 1.00 1.00 C ATOM 969 CD LYS A 94 -4.573 -10.956 -3.911 1.00 1.00 C ATOM 970 CE LYS A 94 -5.179 -12.360 -3.857 1.00 1.00 C ATOM 971 NZ LYS A 94 -6.610 -12.322 -4.232 1.00 1.00 N ATOM 0 H LYS A 94 -0.030 -9.897 -4.378 1.00 1.00 H new ATOM 0 HA LYS A 94 -1.845 -9.457 -6.648 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -1.919 -11.601 -5.594 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -2.097 -10.886 -4.004 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -4.158 -9.758 -5.655 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -4.154 -11.484 -5.959 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -3.871 -10.827 -3.087 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -5.358 -10.212 -3.780 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -4.638 -13.022 -4.532 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -5.071 -12.771 -2.853 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -6.997 -13.287 -4.223 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -7.132 -11.733 -3.552 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -6.708 -11.919 -5.185 1.00 1.00 H new ATOM 984 N ILE A 95 -1.784 -7.664 -3.957 1.00 1.00 N ATOM 985 CA ILE A 95 -2.307 -6.459 -3.337 1.00 1.00 C ATOM 986 C ILE A 95 -1.995 -5.255 -4.228 1.00 1.00 C ATOM 987 O ILE A 95 -2.857 -4.408 -4.457 1.00 1.00 O ATOM 988 CB ILE A 95 -1.780 -6.319 -1.908 1.00 1.00 C ATOM 989 CG1 ILE A 95 -1.957 -7.623 -1.127 1.00 1.00 C ATOM 990 CG2 ILE A 95 -2.431 -5.132 -1.196 1.00 1.00 C ATOM 991 CD1 ILE A 95 -3.417 -7.821 -0.714 1.00 1.00 C ATOM 0 H ILE A 95 -0.958 -8.053 -3.503 1.00 1.00 H new ATOM 0 HA ILE A 95 -3.392 -6.517 -3.248 1.00 1.00 H new ATOM 0 HB ILE A 95 -0.710 -6.117 -1.958 1.00 1.00 H new ATOM 0 HG12 ILE A 95 -1.631 -8.464 -1.738 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.323 -7.609 -0.240 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -2.038 -5.056 -0.182 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -2.209 -4.215 -1.741 1.00 1.00 H new ATOM 0 HG23 ILE A 95 -3.510 -5.279 -1.157 1.00 1.00 H new ATOM 0 HD11 ILE A 95 -3.515 -8.755 -0.161 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -3.732 -6.990 -0.083 1.00 1.00 H new ATOM 0 HD13 ILE A 95 -4.045 -7.859 -1.604 1.00 1.00 H new ATOM 1003 N GLY A 96 -0.760 -5.218 -4.706 1.00 1.00 N ATOM 1004 CA GLY A 96 -0.324 -4.132 -5.567 1.00 1.00 C ATOM 1005 C GLY A 96 -1.332 -3.884 -6.691 1.00 1.00 C ATOM 1006 O GLY A 96 -1.406 -2.781 -7.232 1.00 1.00 O ATOM 0 H GLY A 96 -0.048 -5.922 -4.513 1.00 1.00 H new ATOM 0 HA2 GLY A 96 -0.200 -3.223 -4.978 1.00 1.00 H new ATOM 0 HA3 GLY A 96 0.650 -4.370 -5.994 1.00 1.00 H new ATOM 1010 N GLU A 97 -2.084 -4.927 -7.009 1.00 1.00 N ATOM 1011 CA GLU A 97 -3.085 -4.837 -8.058 1.00 1.00 C ATOM 1012 C GLU A 97 -4.243 -3.942 -7.612 1.00 1.00 C ATOM 1013 O GLU A 97 -4.625 -2.985 -8.281 1.00 1.00 O ATOM 1014 CB GLU A 97 -3.588 -6.225 -8.458 1.00 1.00 C ATOM 1015 CG GLU A 97 -2.435 -7.230 -8.515 1.00 1.00 C ATOM 1016 CD GLU A 97 -2.843 -8.489 -9.284 1.00 1.00 C ATOM 1017 OE1 GLU A 97 -3.704 -9.249 -8.816 1.00 1.00 O ATOM 1018 OE2 GLU A 97 -2.232 -8.664 -10.406 1.00 1.00 O ATOM 0 H GLU A 97 -2.020 -5.840 -6.558 1.00 1.00 H new ATOM 0 HA GLU A 97 -2.622 -4.388 -8.936 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -4.336 -6.565 -7.742 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -4.078 -6.172 -9.430 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -1.571 -6.771 -8.995 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -2.132 -7.500 -7.503 1.00 1.00 H new ATOM 1026 N TYR A 98 -4.801 -4.280 -6.447 1.00 1.00 N ATOM 1027 CA TYR A 98 -5.909 -3.534 -5.886 1.00 1.00 C ATOM 1028 C TYR A 98 -5.601 -2.044 -5.925 1.00 1.00 C ATOM 1029 O TYR A 98 -6.534 -1.246 -5.990 1.00 1.00 O ATOM 1030 CB TYR A 98 -6.160 -3.998 -4.454 1.00 1.00 C ATOM 1031 CG TYR A 98 -7.390 -3.384 -3.829 1.00 1.00 C ATOM 1032 CD1 TYR A 98 -7.262 -2.529 -2.728 1.00 1.00 C ATOM 1033 CD2 TYR A 98 -8.657 -3.671 -4.350 1.00 1.00 C ATOM 1034 CE1 TYR A 98 -8.402 -1.960 -2.148 1.00 1.00 C ATOM 1035 CE2 TYR A 98 -9.797 -3.101 -3.770 1.00 1.00 C ATOM 1036 CZ TYR A 98 -9.670 -2.246 -2.669 1.00 1.00 C ATOM 1037 OH TYR A 98 -10.781 -1.691 -2.104 1.00 1.00 O ATOM 0 H TYR A 98 -4.496 -5.070 -5.879 1.00 1.00 H new ATOM 0 HA TYR A 98 -6.809 -3.713 -6.475 1.00 1.00 H new ATOM 0 HB2 TYR A 98 -6.260 -5.083 -4.444 1.00 1.00 H new ATOM 0 HB3 TYR A 98 -5.291 -3.753 -3.843 1.00 1.00 H new ATOM 0 HD1 TYR A 98 -6.284 -2.308 -2.326 1.00 1.00 H new ATOM 0 HD2 TYR A 98 -8.755 -4.332 -5.199 1.00 1.00 H new ATOM 0 HE1 TYR A 98 -8.304 -1.300 -1.299 1.00 1.00 H new ATOM 0 HE2 TYR A 98 -10.775 -3.321 -4.172 1.00 1.00 H new ATOM 0 HH TYR A 98 -11.579 -1.992 -2.587 1.00 1.00 H new ATOM 1047 N VAL A 99 -4.322 -1.702 -5.886 1.00 1.00 N ATOM 1048 CA VAL A 99 -3.919 -0.306 -5.918 1.00 1.00 C ATOM 1049 C VAL A 99 -3.594 0.093 -7.359 1.00 1.00 C ATOM 1050 O VAL A 99 -2.729 0.937 -7.593 1.00 1.00 O ATOM 1051 CB VAL A 99 -2.752 -0.076 -4.956 1.00 1.00 C ATOM 1052 CG1 VAL A 99 -2.197 1.343 -5.097 1.00 1.00 C ATOM 1053 CG2 VAL A 99 -3.168 -0.361 -3.512 1.00 1.00 C ATOM 0 H VAL A 99 -3.551 -2.367 -5.833 1.00 1.00 H new ATOM 0 HA VAL A 99 -4.733 0.335 -5.579 1.00 1.00 H new ATOM 0 HB VAL A 99 -1.958 -0.774 -5.220 1.00 1.00 H new ATOM 0 HG11 VAL A 99 -1.368 1.480 -4.402 1.00 1.00 H new ATOM 0 HG12 VAL A 99 -1.844 1.496 -6.117 1.00 1.00 H new ATOM 0 HG13 VAL A 99 -2.982 2.065 -4.872 1.00 1.00 H new ATOM 0 HG21 VAL A 99 -2.320 -0.190 -2.849 1.00 1.00 H new ATOM 0 HG22 VAL A 99 -3.987 0.301 -3.232 1.00 1.00 H new ATOM 0 HG23 VAL A 99 -3.493 -1.398 -3.425 1.00 1.00 H new ATOM 1063 N VAL A 100 -4.304 -0.531 -8.287 1.00 1.00 N ATOM 1064 CA VAL A 100 -4.102 -0.251 -9.698 1.00 1.00 C ATOM 1065 C VAL A 100 -5.455 -0.245 -10.412 1.00 1.00 C ATOM 1066 O VAL A 100 -5.514 -0.309 -11.639 1.00 1.00 O ATOM 1067 CB VAL A 100 -3.115 -1.257 -10.295 1.00 1.00 C ATOM 1068 CG1 VAL A 100 -3.063 -1.135 -11.820 1.00 1.00 C ATOM 1069 CG2 VAL A 100 -1.723 -1.089 -9.684 1.00 1.00 C ATOM 0 H VAL A 100 -5.020 -1.230 -8.089 1.00 1.00 H new ATOM 0 HA VAL A 100 -3.660 0.736 -9.832 1.00 1.00 H new ATOM 0 HB VAL A 100 -3.469 -2.259 -10.051 1.00 1.00 H new ATOM 0 HG11 VAL A 100 -2.354 -1.861 -12.219 1.00 1.00 H new ATOM 0 HG12 VAL A 100 -4.052 -1.328 -12.234 1.00 1.00 H new ATOM 0 HG13 VAL A 100 -2.745 -0.129 -12.094 1.00 1.00 H new ATOM 0 HG21 VAL A 100 -1.042 -1.816 -10.126 1.00 1.00 H new ATOM 0 HG22 VAL A 100 -1.358 -0.082 -9.883 1.00 1.00 H new ATOM 0 HG23 VAL A 100 -1.776 -1.250 -8.607 1.00 1.00 H new ATOM 1079 N ALA A 101 -6.509 -0.169 -9.613 1.00 1.00 N ATOM 1080 CA ALA A 101 -7.858 -0.154 -10.153 1.00 1.00 C ATOM 1081 C ALA A 101 -8.639 1.006 -9.531 1.00 1.00 C ATOM 1082 O ALA A 101 -9.789 0.840 -9.129 1.00 1.00 O ATOM 1083 CB ALA A 101 -8.525 -1.507 -9.899 1.00 1.00 C ATOM 0 H ALA A 101 -6.456 -0.117 -8.596 1.00 1.00 H new ATOM 0 HA ALA A 101 -7.837 0.002 -11.232 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -9.537 -1.496 -10.304 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -7.948 -2.294 -10.385 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -8.566 -1.697 -8.826 1.00 1.00 H new ATOM 1089 N SER A 102 -7.981 2.155 -9.472 1.00 1.00 N ATOM 1090 CA SER A 102 -8.599 3.342 -8.906 1.00 1.00 C ATOM 1091 C SER A 102 -7.634 4.526 -8.992 1.00 1.00 C ATOM 1092 O SER A 102 -8.052 5.656 -9.241 1.00 1.00 O ATOM 1093 CB SER A 102 -9.021 3.106 -7.455 1.00 1.00 C ATOM 1094 OG SER A 102 -10.438 3.085 -7.307 1.00 1.00 O ATOM 0 H SER A 102 -7.027 2.289 -9.807 1.00 1.00 H new ATOM 0 HA SER A 102 -9.495 3.569 -9.484 1.00 1.00 H new ATOM 0 HB2 SER A 102 -8.606 2.160 -7.106 1.00 1.00 H new ATOM 0 HB3 SER A 102 -8.602 3.890 -6.824 1.00 1.00 H new ATOM 0 HG SER A 102 -10.813 2.360 -7.850 1.00 1.00 H new ATOM 1100 N PHE A 103 -6.361 4.227 -8.781 1.00 1.00 N ATOM 1101 CA PHE A 103 -5.332 5.252 -8.831 1.00 1.00 C ATOM 1102 C PHE A 103 -3.943 4.629 -8.978 1.00 1.00 C ATOM 1103 O PHE A 103 -3.172 4.522 -8.027 1.00 1.00 O ATOM 1104 CB PHE A 103 -5.398 6.017 -7.508 1.00 1.00 C ATOM 1105 CG PHE A 103 -5.934 5.190 -6.337 1.00 1.00 C ATOM 1106 CD1 PHE A 103 -5.438 3.946 -6.100 1.00 1.00 C ATOM 1107 CD2 PHE A 103 -6.906 5.699 -5.534 1.00 1.00 C ATOM 1108 CE1 PHE A 103 -5.935 3.179 -5.014 1.00 1.00 C ATOM 1109 CE2 PHE A 103 -7.404 4.931 -4.448 1.00 1.00 C ATOM 1110 CZ PHE A 103 -6.907 3.688 -4.211 1.00 1.00 C ATOM 0 H PHE A 103 -6.018 3.289 -8.575 1.00 1.00 H new ATOM 0 HA PHE A 103 -5.499 5.905 -9.687 1.00 1.00 H new ATOM 0 HB2 PHE A 103 -4.400 6.377 -7.258 1.00 1.00 H new ATOM 0 HB3 PHE A 103 -6.030 6.895 -7.639 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -4.666 3.542 -6.738 1.00 1.00 H new ATOM 0 HD2 PHE A 103 -7.299 6.687 -5.722 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -5.541 2.191 -4.826 1.00 1.00 H new ATOM 0 HE2 PHE A 103 -8.177 5.334 -3.811 1.00 1.00 H new ATOM 0 HZ PHE A 103 -7.285 3.104 -3.384 1.00 1.00 H new ATOM 1120 N PRO A 104 -3.638 4.214 -10.210 1.00 1.00 N ATOM 1121 CA PRO A 104 -2.381 3.597 -10.575 1.00 1.00 C ATOM 1122 C PRO A 104 -1.355 4.677 -10.887 1.00 1.00 C ATOM 1123 O PRO A 104 -0.315 4.755 -10.236 1.00 1.00 O ATOM 1124 CB PRO A 104 -2.698 2.768 -11.817 1.00 1.00 C ATOM 1125 CG PRO A 104 -3.853 3.497 -12.447 1.00 1.00 C ATOM 1126 CD PRO A 104 -4.521 4.323 -11.351 1.00 1.00 C ATOM 0 HA PRO A 104 -1.963 2.981 -9.779 1.00 1.00 H new ATOM 0 HB2 PRO A 104 -1.843 2.714 -12.491 1.00 1.00 H new ATOM 0 HB3 PRO A 104 -2.965 1.744 -11.557 1.00 1.00 H new ATOM 0 HG2 PRO A 104 -3.506 4.140 -13.256 1.00 1.00 H new ATOM 0 HG3 PRO A 104 -4.561 2.792 -12.882 1.00 1.00 H new ATOM 0 HD2 PRO A 104 -4.643 5.362 -11.658 1.00 1.00 H new ATOM 0 HD3 PRO A 104 -5.515 3.941 -11.119 1.00 1.00 H new TER 1134 PRO A 104 HETATM 1135 FE HEC A 201 0.455 2.570 4.225 1.00 1.00 FE HETATM 1136 CHA HEC A 201 1.842 5.317 2.664 1.00 1.00 C HETATM 1137 CHB HEC A 201 0.291 1.003 1.018 1.00 1.00 C HETATM 1138 CHC HEC A 201 -0.955 -0.280 5.549 1.00 1.00 C HETATM 1139 CHD HEC A 201 0.288 4.188 7.139 1.00 1.00 C HETATM 1140 NA HEC A 201 0.985 3.042 2.242 1.00 1.00 N HETATM 1141 C1A HEC A 201 1.500 4.259 1.828 1.00 1.00 C HETATM 1142 C2A HEC A 201 1.635 4.283 0.391 1.00 1.00 C HETATM 1143 C3A HEC A 201 1.205 3.089 -0.068 1.00 1.00 C HETATM 1144 C4A HEC A 201 0.800 2.313 1.080 1.00 1.00 C HETATM 1145 CMA HEC A 201 1.143 2.614 -1.491 1.00 1.00 C HETATM 1146 CAA HEC A 201 2.160 5.443 -0.403 1.00 1.00 C HETATM 1147 CBA HEC A 201 1.221 6.645 -0.442 1.00 1.00 C HETATM 1148 CGA HEC A 201 0.387 6.730 0.828 1.00 1.00 C HETATM 1149 O1A HEC A 201 0.737 7.572 1.683 1.00 1.00 O HETATM 1150 O2A HEC A 201 -0.587 5.951 0.921 1.00 1.00 O HETATM 1151 NB HEC A 201 -0.199 0.741 3.422 1.00 1.00 N HETATM 1152 C1B HEC A 201 -0.177 0.286 2.115 1.00 1.00 C HETATM 1153 C2B HEC A 201 -0.714 -1.052 2.041 1.00 1.00 C HETATM 1154 C3B HEC A 201 -1.060 -1.411 3.295 1.00 1.00 C HETATM 1155 C4B HEC A 201 -0.741 -0.298 4.159 1.00 1.00 C HETATM 1156 CMB HEC A 201 -0.844 -1.857 0.781 1.00 1.00 C HETATM 1157 CAB HEC A 201 -1.664 -2.707 3.753 1.00 1.00 C HETATM 1158 CBB HEC A 201 -0.909 -3.945 3.277 1.00 1.00 C HETATM 1159 NC HEC A 201 -0.136 2.029 6.002 1.00 1.00 N HETATM 1160 C1C HEC A 201 -0.744 0.854 6.409 1.00 1.00 C HETATM 1161 C2C HEC A 201 -1.199 0.973 7.774 1.00 1.00 C HETATM 1162 C3C HEC A 201 -0.871 2.212 8.196 1.00 1.00 C HETATM 1163 C4C HEC A 201 -0.209 2.873 7.096 1.00 1.00 C HETATM 1164 CMC HEC A 201 -1.903 -0.109 8.541 1.00 1.00 C HETATM 1165 CAC HEC A 201 -1.125 2.828 9.541 1.00 1.00 C HETATM 1166 CBC HEC A 201 -0.691 1.955 10.715 1.00 1.00 C HETATM 1167 ND HEC A 201 0.890 4.393 4.756 1.00 1.00 N HETATM 1168 C1D HEC A 201 0.881 4.843 6.065 1.00 1.00 C HETATM 1169 C2D HEC A 201 1.579 6.103 6.166 1.00 1.00 C HETATM 1170 C3D HEC A 201 2.011 6.419 4.927 1.00 1.00 C HETATM 1171 C4D HEC A 201 1.585 5.358 4.046 1.00 1.00 C HETATM 1172 CMD HEC A 201 1.765 6.882 7.436 1.00 1.00 C HETATM 1173 CAD HEC A 201 2.789 7.630 4.500 1.00 1.00 C HETATM 1174 CBD HEC A 201 4.300 7.476 4.637 1.00 1.00 C HETATM 1175 CGD HEC A 201 4.878 8.540 5.560 1.00 1.00 C HETATM 1176 O1D HEC A 201 5.463 8.140 6.590 1.00 1.00 O HETATM 1177 O2D HEC A 201 4.723 9.732 5.219 1.00 1.00 O HETATM 0 HMD3 HEC A 201 0.791 7.144 7.848 1.00 1.00 H new HETATM 0 HMD2 HEC A 201 2.313 6.276 8.158 1.00 1.00 H new HETATM 0 HMD1 HEC A 201 2.327 7.792 7.226 1.00 1.00 H new HETATM 0 HMC3 HEC A 201 -2.828 -0.374 8.030 1.00 1.00 H new HETATM 0 HMC2 HEC A 201 -1.260 -0.987 8.606 1.00 1.00 H new HETATM 0 HMC1 HEC A 201 -2.133 0.247 9.545 1.00 1.00 H new HETATM 0 HMB3 HEC A 201 -1.488 -1.330 0.077 1.00 1.00 H new HETATM 0 HMB2 HEC A 201 0.141 -1.998 0.336 1.00 1.00 H new HETATM 0 HMB1 HEC A 201 -1.279 -2.829 1.013 1.00 1.00 H new HETATM 0 HMA3 HEC A 201 0.494 3.274 -2.067 1.00 1.00 H new HETATM 0 HMA2 HEC A 201 2.144 2.624 -1.922 1.00 1.00 H new HETATM 0 HMA1 HEC A 201 0.746 1.599 -1.519 1.00 1.00 H new HETATM 0 HBD2 HEC A 201 4.534 6.486 5.027 1.00 1.00 H new HETATM 0 HBD1 HEC A 201 4.767 7.550 3.655 1.00 1.00 H new HETATM 0 HBC3 HEC A 201 -1.234 1.010 10.686 1.00 1.00 H new HETATM 0 HBC2 HEC A 201 0.379 1.760 10.648 1.00 1.00 H new HETATM 0 HBC1 HEC A 201 -0.908 2.470 11.651 1.00 1.00 H new HETATM 0 HBB3 HEC A 201 -0.893 -3.965 2.187 1.00 1.00 H new HETATM 0 HBB2 HEC A 201 0.113 -3.915 3.654 1.00 1.00 H new HETATM 0 HBB1 HEC A 201 -1.407 -4.840 3.649 1.00 1.00 H new HETATM 0 HBA2 HEC A 201 1.801 7.560 -0.562 1.00 1.00 H new HETATM 0 HBA1 HEC A 201 0.564 6.569 -1.308 1.00 1.00 H new HETATM 0 HAD2 HEC A 201 2.550 7.855 3.461 1.00 1.00 H new HETATM 0 HAD1 HEC A 201 2.466 8.485 5.094 1.00 1.00 H new HETATM 0 HAA2 HEC A 201 3.116 5.755 0.018 1.00 1.00 H new HETATM 0 HAA1 HEC A 201 2.354 5.113 -1.424 1.00 1.00 H new HETATM 0 HHD HEC A 201 0.202 4.732 8.080 1.00 1.00 H new HETATM 0 HHC HEC A 201 -1.310 -1.200 6.013 1.00 1.00 H new HETATM 0 HHB HEC A 201 0.261 0.516 0.043 1.00 1.00 H new HETATM 0 HHA HEC A 201 2.344 6.174 2.216 1.00 1.00 H new HETATM 0 H2D HEC A 201 4.247 10.215 5.926 1.00 1.00 H new HETATM 0 H2A HEC A 201 -1.387 6.457 1.175 1.00 1.00 H new