USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 478 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 20 THR OG1 : rot -62:sc= 0.0281 USER MOD Set 1.2: A 27 CYS SG : rot 89:sc= 0.0307 USER MOD Set 2.1: A 10 LYS NZ :NH3+ -151:sc= -0.221 (180deg=-0.0221) USER MOD Set 2.2: A 14 MET CE :methyl -104:sc= -2.65! (180deg=-4.8!) 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 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -120:sc= -0.728 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= -0.579 (180deg=-1.39!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.81) USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.106) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00482) USER MOD Single : A 33 THR OG1 : rot 77:sc= 0.937 USER MOD Single : A 34 CYS SG : rot 82:sc= -2.5 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 46 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-2.5) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -57:sc= 0.562 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.939 24.056 10.359 1.00 0.00 N ATOM 2 CA GLY A 1 21.448 22.786 10.842 1.00 0.00 C ATOM 3 C GLY A 1 21.139 21.641 9.897 1.00 0.00 C ATOM 4 O GLY A 1 21.892 21.382 8.959 1.00 0.00 O ATOM 0 H1 GLY A 1 21.176 24.806 11.039 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.370 24.275 9.438 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.906 23.998 10.253 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.527 22.859 10.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.016 22.573 11.820 1.00 0.00 H new ATOM 8 N SER A 2 20.030 20.953 10.147 1.00 0.00 N ATOM 9 CA SER A 2 19.626 19.825 9.315 1.00 0.00 C ATOM 10 C SER A 2 18.175 19.972 8.868 1.00 0.00 C ATOM 11 O SER A 2 17.265 20.048 9.692 1.00 0.00 O ATOM 12 CB SER A 2 19.807 18.511 10.077 1.00 0.00 C ATOM 13 OG SER A 2 19.610 17.396 9.225 1.00 0.00 O ATOM 0 H SER A 2 19.395 21.157 10.919 1.00 0.00 H new ATOM 0 HA SER A 2 20.261 19.813 8.429 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.808 18.471 10.507 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.101 18.468 10.907 1.00 0.00 H new ATOM 0 HG SER A 2 19.733 16.569 9.735 1.00 0.00 H new ATOM 19 N SER A 3 17.968 20.011 7.555 1.00 0.00 N ATOM 20 CA SER A 3 16.628 20.152 6.997 1.00 0.00 C ATOM 21 C SER A 3 16.309 18.997 6.053 1.00 0.00 C ATOM 22 O SER A 3 16.980 18.804 5.040 1.00 0.00 O ATOM 23 CB SER A 3 16.501 21.483 6.254 1.00 0.00 C ATOM 24 OG SER A 3 16.206 22.541 7.149 1.00 0.00 O ATOM 0 H SER A 3 18.711 19.947 6.859 1.00 0.00 H new ATOM 0 HA SER A 3 15.914 20.133 7.820 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.430 21.698 5.726 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.716 21.409 5.502 1.00 0.00 H new ATOM 0 HG SER A 3 16.132 23.381 6.650 1.00 0.00 H new ATOM 30 N GLY A 4 15.276 18.231 6.393 1.00 0.00 N ATOM 31 CA GLY A 4 14.884 17.104 5.567 1.00 0.00 C ATOM 32 C GLY A 4 14.841 15.803 6.343 1.00 0.00 C ATOM 33 O GLY A 4 15.184 15.766 7.525 1.00 0.00 O ATOM 0 H GLY A 4 14.704 18.371 7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.902 17.298 5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.584 17.005 4.737 1.00 0.00 H new ATOM 37 N SER A 5 14.418 14.733 5.678 1.00 0.00 N ATOM 38 CA SER A 5 14.327 13.424 6.315 1.00 0.00 C ATOM 39 C SER A 5 14.882 12.335 5.402 1.00 0.00 C ATOM 40 O SER A 5 14.918 12.492 4.182 1.00 0.00 O ATOM 41 CB SER A 5 12.873 13.111 6.677 1.00 0.00 C ATOM 42 OG SER A 5 12.790 11.962 7.503 1.00 0.00 O ATOM 0 H SER A 5 14.133 14.746 4.699 1.00 0.00 H new ATOM 0 HA SER A 5 14.925 13.448 7.226 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.431 13.965 7.190 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.294 12.951 5.767 1.00 0.00 H new ATOM 0 HG SER A 5 11.852 11.784 7.722 1.00 0.00 H new ATOM 48 N SER A 6 15.315 11.232 6.004 1.00 0.00 N ATOM 49 CA SER A 6 15.873 10.118 5.246 1.00 0.00 C ATOM 50 C SER A 6 15.130 8.822 5.560 1.00 0.00 C ATOM 51 O SER A 6 14.707 8.594 6.692 1.00 0.00 O ATOM 52 CB SER A 6 17.361 9.954 5.561 1.00 0.00 C ATOM 53 OG SER A 6 17.846 8.705 5.098 1.00 0.00 O ATOM 0 H SER A 6 15.290 11.086 7.013 1.00 0.00 H new ATOM 0 HA SER A 6 15.755 10.337 4.185 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.926 10.762 5.096 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.519 10.033 6.637 1.00 0.00 H new ATOM 0 HG SER A 6 18.799 8.625 5.310 1.00 0.00 H new ATOM 59 N GLY A 7 14.976 7.976 4.546 1.00 0.00 N ATOM 60 CA GLY A 7 14.284 6.714 4.732 1.00 0.00 C ATOM 61 C GLY A 7 13.239 6.462 3.663 1.00 0.00 C ATOM 62 O GLY A 7 13.566 6.340 2.482 1.00 0.00 O ATOM 0 H GLY A 7 15.318 8.142 3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.010 5.901 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.806 6.706 5.712 1.00 0.00 H new ATOM 66 N SER A 8 11.979 6.382 4.076 1.00 0.00 N ATOM 67 CA SER A 8 10.883 6.137 3.146 1.00 0.00 C ATOM 68 C SER A 8 10.462 7.428 2.450 1.00 0.00 C ATOM 69 O SER A 8 10.643 8.522 2.986 1.00 0.00 O ATOM 70 CB SER A 8 9.687 5.529 3.882 1.00 0.00 C ATOM 71 OG SER A 8 8.923 4.705 3.018 1.00 0.00 O ATOM 0 H SER A 8 11.691 6.483 5.049 1.00 0.00 H new ATOM 0 HA SER A 8 11.232 5.433 2.390 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.038 4.944 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.058 6.325 4.281 1.00 0.00 H new ATOM 0 HG SER A 8 8.166 4.327 3.512 1.00 0.00 H new ATOM 77 N SER A 9 9.901 7.292 1.253 1.00 0.00 N ATOM 78 CA SER A 9 9.458 8.447 0.481 1.00 0.00 C ATOM 79 C SER A 9 8.157 9.010 1.044 1.00 0.00 C ATOM 80 O SER A 9 7.066 8.609 0.637 1.00 0.00 O ATOM 81 CB SER A 9 9.268 8.063 -0.988 1.00 0.00 C ATOM 82 OG SER A 9 8.571 6.834 -1.107 1.00 0.00 O ATOM 0 H SER A 9 9.742 6.394 0.797 1.00 0.00 H new ATOM 0 HA SER A 9 10.227 9.217 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.717 8.849 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.240 7.982 -1.475 1.00 0.00 H new ATOM 0 HG SER A 9 9.131 6.185 -1.583 1.00 0.00 H new ATOM 88 N LYS A 10 8.280 9.942 1.982 1.00 0.00 N ATOM 89 CA LYS A 10 7.115 10.563 2.602 1.00 0.00 C ATOM 90 C LYS A 10 6.126 11.042 1.544 1.00 0.00 C ATOM 91 O LYS A 10 4.972 10.615 1.522 1.00 0.00 O ATOM 92 CB LYS A 10 7.546 11.739 3.482 1.00 0.00 C ATOM 93 CG LYS A 10 6.591 12.023 4.629 1.00 0.00 C ATOM 94 CD LYS A 10 5.306 12.667 4.137 1.00 0.00 C ATOM 95 CE LYS A 10 5.521 14.126 3.765 1.00 0.00 C ATOM 96 NZ LYS A 10 5.633 14.996 4.968 1.00 0.00 N ATOM 0 H LYS A 10 9.175 10.285 2.330 1.00 0.00 H new ATOM 0 HA LYS A 10 6.622 9.814 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.537 11.534 3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.633 12.632 2.863 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.358 11.093 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.075 12.680 5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.932 12.121 3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.543 12.597 4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.426 14.218 3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.692 14.468 3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.293 15.952 4.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.057 14.600 5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.627 15.045 5.270 1.00 0.00 H new ATOM 110 N GLU A 11 6.587 11.930 0.668 1.00 0.00 N ATOM 111 CA GLU A 11 5.741 12.465 -0.392 1.00 0.00 C ATOM 112 C GLU A 11 4.939 11.353 -1.061 1.00 0.00 C ATOM 113 O GLU A 11 3.716 11.442 -1.184 1.00 0.00 O ATOM 114 CB GLU A 11 6.592 13.193 -1.435 1.00 0.00 C ATOM 115 CG GLU A 11 5.834 14.265 -2.199 1.00 0.00 C ATOM 116 CD GLU A 11 4.731 13.693 -3.068 1.00 0.00 C ATOM 117 OE1 GLU A 11 5.052 12.981 -4.042 1.00 0.00 O ATOM 118 OE2 GLU A 11 3.547 13.957 -2.773 1.00 0.00 O ATOM 0 H GLU A 11 7.540 12.293 0.672 1.00 0.00 H new ATOM 0 HA GLU A 11 5.044 13.173 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.448 13.650 -0.938 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.986 12.464 -2.143 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.403 14.974 -1.492 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.532 14.822 -2.824 1.00 0.00 H new ATOM 125 N LEU A 12 5.634 10.307 -1.493 1.00 0.00 N ATOM 126 CA LEU A 12 4.988 9.177 -2.151 1.00 0.00 C ATOM 127 C LEU A 12 3.938 8.546 -1.242 1.00 0.00 C ATOM 128 O LEU A 12 2.855 8.171 -1.694 1.00 0.00 O ATOM 129 CB LEU A 12 6.029 8.130 -2.550 1.00 0.00 C ATOM 130 CG LEU A 12 6.710 8.342 -3.902 1.00 0.00 C ATOM 131 CD1 LEU A 12 7.607 9.570 -3.861 1.00 0.00 C ATOM 132 CD2 LEU A 12 7.510 7.108 -4.295 1.00 0.00 C ATOM 0 H LEU A 12 6.646 10.218 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 12 4.491 9.546 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.799 8.100 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.547 7.152 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 12 5.939 8.506 -4.654 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.083 9.705 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.009 10.450 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.373 9.436 -3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.988 7.276 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.273 6.914 -3.541 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.843 6.249 -4.366 1.00 0.00 H new ATOM 144 N LEU A 13 4.264 8.433 0.041 1.00 0.00 N ATOM 145 CA LEU A 13 3.348 7.850 1.015 1.00 0.00 C ATOM 146 C LEU A 13 2.055 8.656 1.097 1.00 0.00 C ATOM 147 O LEU A 13 0.973 8.095 1.268 1.00 0.00 O ATOM 148 CB LEU A 13 4.010 7.784 2.392 1.00 0.00 C ATOM 149 CG LEU A 13 3.068 7.595 3.581 1.00 0.00 C ATOM 150 CD1 LEU A 13 2.760 6.120 3.788 1.00 0.00 C ATOM 151 CD2 LEU A 13 3.673 8.197 4.841 1.00 0.00 C ATOM 0 H LEU A 13 5.156 8.737 0.431 1.00 0.00 H new ATOM 0 HA LEU A 13 3.104 6.839 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.728 6.964 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.576 8.703 2.545 1.00 0.00 H new ATOM 0 HG LEU A 13 2.134 8.114 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.088 6.004 4.639 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.285 5.718 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.686 5.579 3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.989 8.053 5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.621 7.706 5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.842 9.263 4.690 1.00 0.00 H new ATOM 163 N MET A 14 2.176 9.973 0.973 1.00 0.00 N ATOM 164 CA MET A 14 1.017 10.856 1.031 1.00 0.00 C ATOM 165 C MET A 14 0.142 10.685 -0.207 1.00 0.00 C ATOM 166 O MET A 14 -1.085 10.751 -0.127 1.00 0.00 O ATOM 167 CB MET A 14 1.464 12.313 1.156 1.00 0.00 C ATOM 168 CG MET A 14 1.997 12.669 2.535 1.00 0.00 C ATOM 169 SD MET A 14 1.855 14.429 2.902 1.00 0.00 S ATOM 170 CE MET A 14 2.413 14.466 4.603 1.00 0.00 C ATOM 0 H MET A 14 3.065 10.453 0.832 1.00 0.00 H new ATOM 0 HA MET A 14 0.431 10.587 1.910 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.237 12.512 0.414 1.00 0.00 H new ATOM 0 HB3 MET A 14 0.622 12.964 0.922 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.453 12.100 3.289 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.043 12.371 2.604 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.555 14.579 5.265 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.931 13.536 4.836 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.093 15.306 4.745 1.00 0.00 H new ATOM 180 N LYS A 15 0.780 10.466 -1.352 1.00 0.00 N ATOM 181 CA LYS A 15 0.061 10.285 -2.607 1.00 0.00 C ATOM 182 C LYS A 15 -0.518 8.877 -2.704 1.00 0.00 C ATOM 183 O LYS A 15 -1.595 8.675 -3.266 1.00 0.00 O ATOM 184 CB LYS A 15 0.991 10.548 -3.794 1.00 0.00 C ATOM 185 CG LYS A 15 1.111 12.017 -4.159 1.00 0.00 C ATOM 186 CD LYS A 15 2.248 12.258 -5.137 1.00 0.00 C ATOM 187 CE LYS A 15 2.026 11.513 -6.444 1.00 0.00 C ATOM 188 NZ LYS A 15 2.662 12.210 -7.596 1.00 0.00 N ATOM 0 H LYS A 15 1.795 10.410 -1.436 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.761 11.000 -2.632 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.982 10.158 -3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.626 9.996 -4.660 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.174 12.362 -4.597 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.276 12.605 -3.256 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.338 13.326 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.189 11.937 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.432 10.505 -6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.956 11.412 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.488 11.670 -8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.257 13.163 -7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.687 12.284 -7.434 1.00 0.00 H new ATOM 202 N LEU A 16 0.201 7.907 -2.151 1.00 0.00 N ATOM 203 CA LEU A 16 -0.242 6.517 -2.174 1.00 0.00 C ATOM 204 C LEU A 16 -1.428 6.309 -1.238 1.00 0.00 C ATOM 205 O LEU A 16 -2.339 5.537 -1.536 1.00 0.00 O ATOM 206 CB LEU A 16 0.906 5.588 -1.775 1.00 0.00 C ATOM 207 CG LEU A 16 0.687 4.098 -2.041 1.00 0.00 C ATOM 208 CD1 LEU A 16 0.042 3.431 -0.836 1.00 0.00 C ATOM 209 CD2 LEU A 16 -0.167 3.898 -3.284 1.00 0.00 C ATOM 0 H LEU A 16 1.094 8.057 -1.681 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.557 6.279 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.804 5.903 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.102 5.722 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 16 1.657 3.632 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.106 2.371 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.691 3.544 0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.921 3.899 -0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.312 2.832 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.135 4.378 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.334 4.341 -4.145 1.00 0.00 H new ATOM 221 N ARG A 17 -1.411 7.005 -0.105 1.00 0.00 N ATOM 222 CA ARG A 17 -2.486 6.897 0.874 1.00 0.00 C ATOM 223 C ARG A 17 -3.835 7.223 0.239 1.00 0.00 C ATOM 224 O ARG A 17 -4.779 6.438 0.326 1.00 0.00 O ATOM 225 CB ARG A 17 -2.226 7.835 2.054 1.00 0.00 C ATOM 226 CG ARG A 17 -2.814 7.341 3.366 1.00 0.00 C ATOM 227 CD ARG A 17 -4.332 7.427 3.363 1.00 0.00 C ATOM 228 NE ARG A 17 -4.802 8.810 3.382 1.00 0.00 N ATOM 229 CZ ARG A 17 -6.071 9.157 3.197 1.00 0.00 C ATOM 230 NH1 ARG A 17 -6.991 8.228 2.980 1.00 0.00 N ATOM 231 NH2 ARG A 17 -6.421 10.437 3.229 1.00 0.00 N ATOM 0 H ARG A 17 -0.665 7.649 0.157 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.513 5.869 1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.150 7.965 2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.642 8.816 1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -2.507 6.309 3.538 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.416 7.933 4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.722 6.924 2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.727 6.898 4.230 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.119 9.549 3.546 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.726 7.243 2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.964 8.498 2.838 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.716 11.155 3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.395 10.703 3.087 1.00 0.00 H new ATOM 245 N ARG A 18 -3.917 8.386 -0.399 1.00 0.00 N ATOM 246 CA ARG A 18 -5.150 8.817 -1.047 1.00 0.00 C ATOM 247 C ARG A 18 -5.488 7.912 -2.228 1.00 0.00 C ATOM 248 O ARG A 18 -6.646 7.806 -2.632 1.00 0.00 O ATOM 249 CB ARG A 18 -5.023 10.266 -1.520 1.00 0.00 C ATOM 250 CG ARG A 18 -3.817 10.513 -2.411 1.00 0.00 C ATOM 251 CD ARG A 18 -3.921 11.848 -3.132 1.00 0.00 C ATOM 252 NE ARG A 18 -3.382 12.944 -2.332 1.00 0.00 N ATOM 253 CZ ARG A 18 -4.069 13.567 -1.381 1.00 0.00 C ATOM 254 NH1 ARG A 18 -5.315 13.202 -1.111 1.00 0.00 N ATOM 255 NH2 ARG A 18 -3.510 14.556 -0.696 1.00 0.00 N ATOM 0 H ARG A 18 -3.144 9.047 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.957 8.750 -0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.927 10.543 -2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.961 10.919 -0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.908 10.493 -1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.733 9.709 -3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.384 11.792 -4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.965 12.052 -3.370 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.425 13.248 -2.513 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.748 12.441 -1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.840 13.682 -0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.551 14.839 -0.899 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.039 15.033 0.034 1.00 0.00 H new ATOM 269 N LYS A 19 -4.468 7.262 -2.780 1.00 0.00 N ATOM 270 CA LYS A 19 -4.656 6.366 -3.915 1.00 0.00 C ATOM 271 C LYS A 19 -5.348 5.078 -3.482 1.00 0.00 C ATOM 272 O LYS A 19 -6.475 4.797 -3.894 1.00 0.00 O ATOM 273 CB LYS A 19 -3.308 6.041 -4.562 1.00 0.00 C ATOM 274 CG LYS A 19 -2.742 7.179 -5.393 1.00 0.00 C ATOM 275 CD LYS A 19 -3.207 7.099 -6.838 1.00 0.00 C ATOM 276 CE LYS A 19 -2.271 6.244 -7.678 1.00 0.00 C ATOM 277 NZ LYS A 19 -2.499 4.789 -7.456 1.00 0.00 N ATOM 0 H LYS A 19 -3.503 7.339 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.290 6.871 -4.644 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.593 5.782 -3.781 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.421 5.161 -5.195 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.049 8.132 -4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.653 7.150 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.214 6.682 -6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.262 8.103 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.415 6.477 -8.733 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.237 6.491 -7.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.202 4.258 -8.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.945 4.472 -6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.509 4.619 -7.278 1.00 0.00 H new ATOM 291 N THR A 20 -4.668 4.297 -2.648 1.00 0.00 N ATOM 292 CA THR A 20 -5.218 3.039 -2.160 1.00 0.00 C ATOM 293 C THR A 20 -6.279 3.280 -1.092 1.00 0.00 C ATOM 294 O THR A 20 -7.256 2.538 -0.995 1.00 0.00 O ATOM 295 CB THR A 20 -4.117 2.133 -1.577 1.00 0.00 C ATOM 296 OG1 THR A 20 -3.573 2.724 -0.391 1.00 0.00 O ATOM 297 CG2 THR A 20 -3.007 1.909 -2.593 1.00 0.00 C ATOM 0 H THR A 20 -3.735 4.514 -2.297 1.00 0.00 H new ATOM 0 HA THR A 20 -5.674 2.541 -3.016 1.00 0.00 H new ATOM 0 HB THR A 20 -4.563 1.169 -1.330 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.153 3.580 -0.615 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.241 1.266 -2.159 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.419 1.433 -3.483 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.565 2.867 -2.866 1.00 0.00 H new ATOM 305 N GLY A 21 -6.081 4.324 -0.292 1.00 0.00 N ATOM 306 CA GLY A 21 -7.031 4.644 0.757 1.00 0.00 C ATOM 307 C GLY A 21 -6.573 4.162 2.120 1.00 0.00 C ATOM 308 O GLY A 21 -6.840 4.805 3.135 1.00 0.00 O ATOM 0 H GLY A 21 -5.280 4.953 -0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.183 5.723 0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.995 4.193 0.520 1.00 0.00 H new ATOM 312 N TYR A 22 -5.883 3.027 2.143 1.00 0.00 N ATOM 313 CA TYR A 22 -5.391 2.457 3.391 1.00 0.00 C ATOM 314 C TYR A 22 -4.738 3.528 4.259 1.00 0.00 C ATOM 315 O TYR A 22 -4.372 4.598 3.774 1.00 0.00 O ATOM 316 CB TYR A 22 -4.390 1.336 3.105 1.00 0.00 C ATOM 317 CG TYR A 22 -5.023 0.093 2.522 1.00 0.00 C ATOM 318 CD1 TYR A 22 -5.374 0.033 1.179 1.00 0.00 C ATOM 319 CD2 TYR A 22 -5.271 -1.021 3.314 1.00 0.00 C ATOM 320 CE1 TYR A 22 -5.953 -1.100 0.641 1.00 0.00 C ATOM 321 CE2 TYR A 22 -5.848 -2.159 2.785 1.00 0.00 C ATOM 322 CZ TYR A 22 -6.188 -2.194 1.448 1.00 0.00 C ATOM 323 OH TYR A 22 -6.764 -3.325 0.918 1.00 0.00 O ATOM 0 H TYR A 22 -5.652 2.484 1.311 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.242 2.045 3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.631 1.705 2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.878 1.073 4.030 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -5.191 0.887 0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.008 -0.997 4.361 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.220 -1.129 -0.405 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.032 -3.017 3.415 1.00 0.00 H new ATOM 0 HH TYR A 22 -6.859 -4.003 1.619 1.00 0.00 H new ATOM 333 N SER A 23 -4.596 3.231 5.547 1.00 0.00 N ATOM 334 CA SER A 23 -3.991 4.168 6.485 1.00 0.00 C ATOM 335 C SER A 23 -2.525 4.413 6.139 1.00 0.00 C ATOM 336 O SER A 23 -1.985 3.809 5.212 1.00 0.00 O ATOM 337 CB SER A 23 -4.107 3.638 7.916 1.00 0.00 C ATOM 338 OG SER A 23 -4.062 4.696 8.857 1.00 0.00 O ATOM 0 H SER A 23 -4.892 2.349 5.964 1.00 0.00 H new ATOM 0 HA SER A 23 -4.527 5.114 6.411 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.041 3.087 8.028 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.297 2.936 8.114 1.00 0.00 H new ATOM 0 HG SER A 23 -4.140 4.331 9.763 1.00 0.00 H new ATOM 344 N PHE A 24 -1.887 5.304 6.891 1.00 0.00 N ATOM 345 CA PHE A 24 -0.484 5.630 6.664 1.00 0.00 C ATOM 346 C PHE A 24 0.411 4.434 6.978 1.00 0.00 C ATOM 347 O PHE A 24 1.247 4.040 6.165 1.00 0.00 O ATOM 348 CB PHE A 24 -0.072 6.828 7.522 1.00 0.00 C ATOM 349 CG PHE A 24 -0.461 8.152 6.929 1.00 0.00 C ATOM 350 CD1 PHE A 24 -1.792 8.459 6.699 1.00 0.00 C ATOM 351 CD2 PHE A 24 0.505 9.091 6.602 1.00 0.00 C ATOM 352 CE1 PHE A 24 -2.153 9.676 6.153 1.00 0.00 C ATOM 353 CE2 PHE A 24 0.150 10.310 6.056 1.00 0.00 C ATOM 354 CZ PHE A 24 -1.181 10.603 5.832 1.00 0.00 C ATOM 0 H PHE A 24 -2.319 5.813 7.662 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.362 5.886 5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.527 6.733 8.508 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.008 6.807 7.667 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.557 7.739 6.949 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.547 8.867 6.776 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.194 9.902 5.977 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.912 11.033 5.805 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.461 11.555 5.407 1.00 0.00 H new ATOM 364 N VAL A 25 0.228 3.861 8.163 1.00 0.00 N ATOM 365 CA VAL A 25 1.017 2.710 8.585 1.00 0.00 C ATOM 366 C VAL A 25 0.905 1.569 7.581 1.00 0.00 C ATOM 367 O VAL A 25 1.893 0.906 7.267 1.00 0.00 O ATOM 368 CB VAL A 25 0.576 2.205 9.972 1.00 0.00 C ATOM 369 CG1 VAL A 25 1.379 0.978 10.374 1.00 0.00 C ATOM 370 CG2 VAL A 25 0.716 3.308 11.010 1.00 0.00 C ATOM 0 H VAL A 25 -0.460 4.175 8.848 1.00 0.00 H new ATOM 0 HA VAL A 25 2.054 3.040 8.640 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.475 1.920 9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.053 0.636 11.356 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.222 0.185 9.643 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.438 1.233 10.411 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.400 2.934 11.984 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.757 3.627 11.064 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.091 4.155 10.727 1.00 0.00 H new ATOM 380 N ASN A 26 -0.305 1.346 7.080 1.00 0.00 N ATOM 381 CA ASN A 26 -0.547 0.284 6.110 1.00 0.00 C ATOM 382 C ASN A 26 0.247 0.525 4.830 1.00 0.00 C ATOM 383 O ASN A 26 1.142 -0.249 4.488 1.00 0.00 O ATOM 384 CB ASN A 26 -2.040 0.189 5.788 1.00 0.00 C ATOM 385 CG ASN A 26 -2.880 -0.102 7.016 1.00 0.00 C ATOM 386 OD1 ASN A 26 -2.373 -0.592 8.026 1.00 0.00 O ATOM 387 ND2 ASN A 26 -4.171 0.198 6.935 1.00 0.00 N ATOM 0 H ASN A 26 -1.133 1.886 7.329 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.217 -0.657 6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.372 1.125 5.338 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.200 -0.595 5.048 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.786 0.024 7.730 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.548 0.603 6.078 1.00 0.00 H new ATOM 394 N CYS A 27 -0.087 1.602 4.127 1.00 0.00 N ATOM 395 CA CYS A 27 0.595 1.945 2.885 1.00 0.00 C ATOM 396 C CYS A 27 2.105 1.797 3.034 1.00 0.00 C ATOM 397 O CYS A 27 2.740 1.033 2.306 1.00 0.00 O ATOM 398 CB CYS A 27 0.249 3.375 2.468 1.00 0.00 C ATOM 399 SG CYS A 27 -1.525 3.705 2.361 1.00 0.00 S ATOM 0 H CYS A 27 -0.826 2.252 4.396 1.00 0.00 H new ATOM 0 HA CYS A 27 0.256 1.256 2.111 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.694 4.068 3.182 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.705 3.580 1.499 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.965 4.094 3.521 1.00 0.00 H new ATOM 405 N LYS A 28 2.676 2.534 3.981 1.00 0.00 N ATOM 406 CA LYS A 28 4.112 2.486 4.227 1.00 0.00 C ATOM 407 C LYS A 28 4.659 1.082 3.989 1.00 0.00 C ATOM 408 O LYS A 28 5.677 0.905 3.320 1.00 0.00 O ATOM 409 CB LYS A 28 4.420 2.928 5.659 1.00 0.00 C ATOM 410 CG LYS A 28 5.812 3.512 5.830 1.00 0.00 C ATOM 411 CD LYS A 28 6.153 3.723 7.295 1.00 0.00 C ATOM 412 CE LYS A 28 5.621 5.053 7.805 1.00 0.00 C ATOM 413 NZ LYS A 28 6.415 6.203 7.290 1.00 0.00 N ATOM 0 H LYS A 28 2.165 3.172 4.591 1.00 0.00 H new ATOM 0 HA LYS A 28 4.597 3.169 3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.684 3.670 5.967 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.310 2.073 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.545 2.845 5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.876 4.462 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.733 2.911 7.888 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.234 3.688 7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.580 5.167 7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.640 5.058 8.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.181 7.058 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.429 5.996 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.190 6.359 6.287 1.00 0.00 H new ATOM 427 N LYS A 29 3.975 0.084 4.539 1.00 0.00 N ATOM 428 CA LYS A 29 4.389 -1.305 4.385 1.00 0.00 C ATOM 429 C LYS A 29 4.352 -1.724 2.918 1.00 0.00 C ATOM 430 O LYS A 29 5.318 -2.281 2.398 1.00 0.00 O ATOM 431 CB LYS A 29 3.485 -2.223 5.211 1.00 0.00 C ATOM 432 CG LYS A 29 4.179 -3.485 5.694 1.00 0.00 C ATOM 433 CD LYS A 29 3.248 -4.348 6.529 1.00 0.00 C ATOM 434 CE LYS A 29 3.993 -5.505 7.177 1.00 0.00 C ATOM 435 NZ LYS A 29 4.789 -5.062 8.355 1.00 0.00 N ATOM 0 H LYS A 29 3.130 0.212 5.096 1.00 0.00 H new ATOM 0 HA LYS A 29 5.414 -1.395 4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.111 -1.671 6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.619 -2.502 4.611 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.535 -4.056 4.837 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.055 -3.216 6.284 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.779 -3.738 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.447 -4.736 5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.279 -6.268 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.655 -5.967 6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.241 -5.887 8.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.521 -4.390 8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.162 -4.599 9.043 1.00 0.00 H new ATOM 449 N ALA A 30 3.232 -1.451 2.258 1.00 0.00 N ATOM 450 CA ALA A 30 3.071 -1.797 0.851 1.00 0.00 C ATOM 451 C ALA A 30 4.113 -1.090 -0.010 1.00 0.00 C ATOM 452 O ALA A 30 4.834 -1.728 -0.779 1.00 0.00 O ATOM 453 CB ALA A 30 1.668 -1.447 0.378 1.00 0.00 C ATOM 0 H ALA A 30 2.422 -0.991 2.675 1.00 0.00 H new ATOM 0 HA ALA A 30 3.220 -2.872 0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.562 -1.711 -0.674 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.937 -2.001 0.966 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.498 -0.378 0.503 1.00 0.00 H new ATOM 459 N LEU A 31 4.186 0.230 0.121 1.00 0.00 N ATOM 460 CA LEU A 31 5.139 1.024 -0.645 1.00 0.00 C ATOM 461 C LEU A 31 6.570 0.568 -0.374 1.00 0.00 C ATOM 462 O LEU A 31 7.369 0.420 -1.298 1.00 0.00 O ATOM 463 CB LEU A 31 4.991 2.507 -0.302 1.00 0.00 C ATOM 464 CG LEU A 31 3.919 3.271 -1.080 1.00 0.00 C ATOM 465 CD1 LEU A 31 3.714 4.656 -0.486 1.00 0.00 C ATOM 466 CD2 LEU A 31 4.295 3.371 -2.551 1.00 0.00 C ATOM 0 H LEU A 31 3.596 0.773 0.751 1.00 0.00 H new ATOM 0 HA LEU A 31 4.925 0.880 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.770 2.593 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.951 2.996 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 31 2.981 2.721 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.948 5.185 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.398 4.563 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.649 5.214 -0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.520 3.918 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.245 3.897 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.390 2.370 -2.971 1.00 0.00 H new ATOM 478 N GLU A 32 6.883 0.346 0.898 1.00 0.00 N ATOM 479 CA GLU A 32 8.217 -0.094 1.290 1.00 0.00 C ATOM 480 C GLU A 32 8.550 -1.445 0.663 1.00 0.00 C ATOM 481 O GLU A 32 9.539 -1.581 -0.059 1.00 0.00 O ATOM 482 CB GLU A 32 8.321 -0.188 2.814 1.00 0.00 C ATOM 483 CG GLU A 32 8.630 1.139 3.485 1.00 0.00 C ATOM 484 CD GLU A 32 9.213 0.968 4.875 1.00 0.00 C ATOM 485 OE1 GLU A 32 8.443 0.650 5.805 1.00 0.00 O ATOM 486 OE2 GLU A 32 10.437 1.153 5.032 1.00 0.00 O ATOM 0 H GLU A 32 6.232 0.463 1.674 1.00 0.00 H new ATOM 0 HA GLU A 32 8.935 0.643 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.383 -0.576 3.211 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.099 -0.907 3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.332 1.700 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.717 1.731 3.548 1.00 0.00 H new ATOM 493 N THR A 33 7.718 -2.443 0.943 1.00 0.00 N ATOM 494 CA THR A 33 7.923 -3.783 0.409 1.00 0.00 C ATOM 495 C THR A 33 8.000 -3.763 -1.113 1.00 0.00 C ATOM 496 O THR A 33 8.809 -4.472 -1.713 1.00 0.00 O ATOM 497 CB THR A 33 6.796 -4.740 0.842 1.00 0.00 C ATOM 498 OG1 THR A 33 6.669 -4.733 2.268 1.00 0.00 O ATOM 499 CG2 THR A 33 7.072 -6.155 0.359 1.00 0.00 C ATOM 0 H THR A 33 6.895 -2.348 1.538 1.00 0.00 H new ATOM 0 HA THR A 33 8.869 -4.142 0.813 1.00 0.00 H new ATOM 0 HB THR A 33 5.864 -4.396 0.393 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.202 -3.919 2.551 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.263 -6.812 0.677 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.139 -6.162 -0.729 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.013 -6.507 0.782 1.00 0.00 H new ATOM 507 N CYS A 34 7.155 -2.945 -1.733 1.00 0.00 N ATOM 508 CA CYS A 34 7.128 -2.833 -3.187 1.00 0.00 C ATOM 509 C CYS A 34 8.369 -2.110 -3.699 1.00 0.00 C ATOM 510 O CYS A 34 9.270 -2.727 -4.266 1.00 0.00 O ATOM 511 CB CYS A 34 5.869 -2.092 -3.638 1.00 0.00 C ATOM 512 SG CYS A 34 4.339 -3.030 -3.411 1.00 0.00 S ATOM 0 H CYS A 34 6.480 -2.350 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 34 7.118 -3.840 -3.605 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.794 -1.156 -3.085 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.971 -1.833 -4.692 1.00 0.00 H new ATOM 0 HG CYS A 34 3.943 -2.923 -2.177 1.00 0.00 H new ATOM 518 N GLY A 35 8.408 -0.796 -3.498 1.00 0.00 N ATOM 519 CA GLY A 35 9.542 -0.010 -3.947 1.00 0.00 C ATOM 520 C GLY A 35 9.164 1.422 -4.270 1.00 0.00 C ATOM 521 O GLY A 35 9.731 2.033 -5.175 1.00 0.00 O ATOM 0 H GLY A 35 7.674 -0.262 -3.032 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.311 -0.014 -3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.976 -0.476 -4.832 1.00 0.00 H new ATOM 525 N GLY A 36 8.200 1.959 -3.528 1.00 0.00 N ATOM 526 CA GLY A 36 7.762 3.324 -3.756 1.00 0.00 C ATOM 527 C GLY A 36 6.821 3.440 -4.939 1.00 0.00 C ATOM 528 O GLY A 36 6.143 4.454 -5.104 1.00 0.00 O ATOM 0 H GLY A 36 7.715 1.473 -2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.264 3.697 -2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.632 3.958 -3.924 1.00 0.00 H new ATOM 532 N ASP A 37 6.782 2.401 -5.766 1.00 0.00 N ATOM 533 CA ASP A 37 5.918 2.391 -6.941 1.00 0.00 C ATOM 534 C ASP A 37 4.449 2.468 -6.536 1.00 0.00 C ATOM 535 O ASP A 37 3.788 1.443 -6.360 1.00 0.00 O ATOM 536 CB ASP A 37 6.166 1.131 -7.772 1.00 0.00 C ATOM 537 CG ASP A 37 7.384 1.258 -8.666 1.00 0.00 C ATOM 538 OD1 ASP A 37 7.637 2.372 -9.171 1.00 0.00 O ATOM 539 OD2 ASP A 37 8.085 0.243 -8.860 1.00 0.00 O ATOM 0 H ASP A 37 7.339 1.555 -5.645 1.00 0.00 H new ATOM 0 HA ASP A 37 6.156 3.267 -7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.296 0.279 -7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.289 0.925 -8.385 1.00 0.00 H new ATOM 544 N LEU A 38 3.944 3.688 -6.389 1.00 0.00 N ATOM 545 CA LEU A 38 2.553 3.899 -6.004 1.00 0.00 C ATOM 546 C LEU A 38 1.637 2.898 -6.702 1.00 0.00 C ATOM 547 O LEU A 38 0.735 2.330 -6.085 1.00 0.00 O ATOM 548 CB LEU A 38 2.120 5.326 -6.343 1.00 0.00 C ATOM 549 CG LEU A 38 2.334 6.370 -5.247 1.00 0.00 C ATOM 550 CD1 LEU A 38 3.755 6.911 -5.294 1.00 0.00 C ATOM 551 CD2 LEU A 38 1.326 7.502 -5.385 1.00 0.00 C ATOM 0 H LEU A 38 4.477 4.546 -6.531 1.00 0.00 H new ATOM 0 HA LEU A 38 2.473 3.748 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.661 5.647 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.061 5.311 -6.601 1.00 0.00 H new ATOM 0 HG LEU A 38 2.182 5.890 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.888 7.653 -4.506 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.461 6.094 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.936 7.375 -6.264 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.493 8.236 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.446 7.980 -6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.316 7.102 -5.300 1.00 0.00 H new ATOM 563 N LYS A 39 1.876 2.685 -7.991 1.00 0.00 N ATOM 564 CA LYS A 39 1.076 1.750 -8.774 1.00 0.00 C ATOM 565 C LYS A 39 1.082 0.364 -8.138 1.00 0.00 C ATOM 566 O LYS A 39 0.027 -0.217 -7.884 1.00 0.00 O ATOM 567 CB LYS A 39 1.606 1.668 -10.207 1.00 0.00 C ATOM 568 CG LYS A 39 0.828 0.707 -11.089 1.00 0.00 C ATOM 569 CD LYS A 39 -0.465 1.330 -11.588 1.00 0.00 C ATOM 570 CE LYS A 39 -1.036 0.560 -12.769 1.00 0.00 C ATOM 571 NZ LYS A 39 -2.453 0.929 -13.039 1.00 0.00 N ATOM 0 H LYS A 39 2.618 3.147 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 39 0.050 2.117 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.577 2.662 -10.653 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.651 1.360 -10.182 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.443 0.413 -11.939 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.603 -0.201 -10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.195 1.352 -10.779 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.283 2.364 -11.881 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.434 0.757 -13.656 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.971 -0.510 -12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.805 0.383 -13.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.032 0.718 -12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.512 1.945 -13.253 1.00 0.00 H new ATOM 585 N GLN A 40 2.277 -0.160 -7.883 1.00 0.00 N ATOM 586 CA GLN A 40 2.419 -1.478 -7.277 1.00 0.00 C ATOM 587 C GLN A 40 1.909 -1.474 -5.840 1.00 0.00 C ATOM 588 O GLN A 40 1.087 -2.308 -5.460 1.00 0.00 O ATOM 589 CB GLN A 40 3.883 -1.922 -7.309 1.00 0.00 C ATOM 590 CG GLN A 40 4.274 -2.635 -8.594 1.00 0.00 C ATOM 591 CD GLN A 40 4.038 -4.131 -8.526 1.00 0.00 C ATOM 592 OE1 GLN A 40 4.524 -4.807 -7.619 1.00 0.00 O ATOM 593 NE2 GLN A 40 3.290 -4.657 -9.489 1.00 0.00 N ATOM 0 H GLN A 40 3.160 0.308 -8.087 1.00 0.00 H new ATOM 0 HA GLN A 40 1.820 -2.182 -7.854 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.522 -1.049 -7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.072 -2.584 -6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.704 -2.218 -9.424 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.327 -2.446 -8.804 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.907 -4.059 -10.221 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.098 -5.659 -9.496 1.00 0.00 H new ATOM 602 N ALA A 41 2.401 -0.529 -5.045 1.00 0.00 N ATOM 603 CA ALA A 41 1.993 -0.416 -3.650 1.00 0.00 C ATOM 604 C ALA A 41 0.525 -0.789 -3.475 1.00 0.00 C ATOM 605 O ALA A 41 0.166 -1.512 -2.546 1.00 0.00 O ATOM 606 CB ALA A 41 2.245 0.995 -3.140 1.00 0.00 C ATOM 0 H ALA A 41 3.082 0.169 -5.343 1.00 0.00 H new ATOM 0 HA ALA A 41 2.590 -1.115 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.936 1.066 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.307 1.227 -3.220 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.673 1.705 -3.737 1.00 0.00 H new ATOM 612 N GLU A 42 -0.319 -0.291 -4.373 1.00 0.00 N ATOM 613 CA GLU A 42 -1.748 -0.572 -4.316 1.00 0.00 C ATOM 614 C GLU A 42 -2.012 -2.072 -4.419 1.00 0.00 C ATOM 615 O GLU A 42 -2.675 -2.656 -3.561 1.00 0.00 O ATOM 616 CB GLU A 42 -2.481 0.164 -5.439 1.00 0.00 C ATOM 617 CG GLU A 42 -3.917 -0.293 -5.631 1.00 0.00 C ATOM 618 CD GLU A 42 -4.811 0.803 -6.177 1.00 0.00 C ATOM 619 OE1 GLU A 42 -5.165 1.719 -5.405 1.00 0.00 O ATOM 620 OE2 GLU A 42 -5.157 0.746 -7.375 1.00 0.00 O ATOM 0 H GLU A 42 -0.038 0.309 -5.148 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.123 -0.219 -3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.474 1.233 -5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.936 0.021 -6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.935 -1.144 -6.312 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.315 -0.639 -4.677 1.00 0.00 H new ATOM 627 N ILE A 43 -1.490 -2.687 -5.474 1.00 0.00 N ATOM 628 CA ILE A 43 -1.668 -4.118 -5.689 1.00 0.00 C ATOM 629 C ILE A 43 -1.333 -4.909 -4.430 1.00 0.00 C ATOM 630 O ILE A 43 -2.134 -5.718 -3.961 1.00 0.00 O ATOM 631 CB ILE A 43 -0.793 -4.626 -6.850 1.00 0.00 C ATOM 632 CG1 ILE A 43 -1.138 -3.881 -8.141 1.00 0.00 C ATOM 633 CG2 ILE A 43 -0.973 -6.125 -7.032 1.00 0.00 C ATOM 634 CD1 ILE A 43 0.005 -3.829 -9.132 1.00 0.00 C ATOM 0 H ILE A 43 -0.940 -2.217 -6.193 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.717 -4.271 -5.942 1.00 0.00 H new ATOM 0 HB ILE A 43 0.252 -4.432 -6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.995 -4.363 -8.612 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.441 -2.863 -7.894 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.348 -6.469 -7.856 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.682 -6.640 -6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.018 -6.342 -7.254 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.310 -3.286 -10.023 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.856 -3.320 -8.679 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.294 -4.843 -9.408 1.00 0.00 H new ATOM 646 N TRP A 44 -0.145 -4.669 -3.886 1.00 0.00 N ATOM 647 CA TRP A 44 0.296 -5.359 -2.679 1.00 0.00 C ATOM 648 C TRP A 44 -0.836 -5.454 -1.662 1.00 0.00 C ATOM 649 O TRP A 44 -1.264 -6.549 -1.295 1.00 0.00 O ATOM 650 CB TRP A 44 1.493 -4.634 -2.062 1.00 0.00 C ATOM 651 CG TRP A 44 2.161 -5.413 -0.969 1.00 0.00 C ATOM 652 CD1 TRP A 44 3.142 -6.352 -1.114 1.00 0.00 C ATOM 653 CD2 TRP A 44 1.894 -5.322 0.435 1.00 0.00 C ATOM 654 NE1 TRP A 44 3.502 -6.850 0.115 1.00 0.00 N ATOM 655 CE2 TRP A 44 2.751 -6.234 1.082 1.00 0.00 C ATOM 656 CE3 TRP A 44 1.016 -4.559 1.208 1.00 0.00 C ATOM 657 CZ2 TRP A 44 2.753 -6.401 2.464 1.00 0.00 C ATOM 658 CZ3 TRP A 44 1.018 -4.726 2.580 1.00 0.00 C ATOM 659 CH2 TRP A 44 1.883 -5.640 3.196 1.00 0.00 C ATOM 0 H TRP A 44 0.530 -4.002 -4.261 1.00 0.00 H new ATOM 0 HA TRP A 44 0.595 -6.370 -2.956 1.00 0.00 H new ATOM 0 HB2 TRP A 44 2.222 -4.421 -2.844 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.162 -3.675 -1.664 1.00 0.00 H new ATOM 0 HD1 TRP A 44 3.572 -6.658 -2.056 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.213 -7.563 0.281 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.347 -3.851 0.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.418 -7.106 2.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 0.342 -4.142 3.187 1.00 0.00 H new ATOM 0 HH2 TRP A 44 1.863 -5.746 4.271 1.00 0.00 H new ATOM 670 N LEU A 45 -1.317 -4.302 -1.209 1.00 0.00 N ATOM 671 CA LEU A 45 -2.401 -4.255 -0.234 1.00 0.00 C ATOM 672 C LEU A 45 -3.549 -5.169 -0.652 1.00 0.00 C ATOM 673 O LEU A 45 -4.110 -5.894 0.170 1.00 0.00 O ATOM 674 CB LEU A 45 -2.908 -2.821 -0.073 1.00 0.00 C ATOM 675 CG LEU A 45 -2.014 -1.881 0.736 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.272 -0.433 0.347 1.00 0.00 C ATOM 677 CD2 LEU A 45 -2.239 -2.082 2.227 1.00 0.00 C ATOM 0 H LEU A 45 -0.973 -3.387 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.012 -4.605 0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.048 -2.393 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.889 -2.855 0.401 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.974 -2.117 0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.627 0.222 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.059 -0.298 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.315 -0.184 0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.594 -1.405 2.787 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.281 -1.874 2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.003 -3.112 2.495 1.00 0.00 H new ATOM 689 N HIS A 46 -3.892 -5.130 -1.936 1.00 0.00 N ATOM 690 CA HIS A 46 -4.972 -5.956 -2.464 1.00 0.00 C ATOM 691 C HIS A 46 -4.621 -7.437 -2.364 1.00 0.00 C ATOM 692 O HIS A 46 -5.470 -8.267 -2.039 1.00 0.00 O ATOM 693 CB HIS A 46 -5.261 -5.585 -3.919 1.00 0.00 C ATOM 694 CG HIS A 46 -5.770 -4.187 -4.090 1.00 0.00 C ATOM 695 ND1 HIS A 46 -5.508 -3.175 -3.191 1.00 0.00 N ATOM 696 CD2 HIS A 46 -6.527 -3.634 -5.066 1.00 0.00 C ATOM 697 CE1 HIS A 46 -6.084 -2.061 -3.605 1.00 0.00 C ATOM 698 NE2 HIS A 46 -6.709 -2.312 -4.742 1.00 0.00 N ATOM 0 H HIS A 46 -3.438 -4.536 -2.629 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.864 -5.771 -1.866 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.349 -5.705 -4.504 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.994 -6.282 -4.325 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.916 -4.139 -5.938 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.050 -1.107 -3.100 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -7.240 -1.635 -5.289 1.00 0.00 H new ATOM 707 N LYS A 47 -3.364 -7.763 -2.648 1.00 0.00 N ATOM 708 CA LYS A 47 -2.899 -9.144 -2.590 1.00 0.00 C ATOM 709 C LYS A 47 -2.967 -9.681 -1.165 1.00 0.00 C ATOM 710 O LYS A 47 -3.460 -10.785 -0.931 1.00 0.00 O ATOM 711 CB LYS A 47 -1.465 -9.243 -3.116 1.00 0.00 C ATOM 712 CG LYS A 47 -1.382 -9.497 -4.611 1.00 0.00 C ATOM 713 CD LYS A 47 0.010 -9.213 -5.149 1.00 0.00 C ATOM 714 CE LYS A 47 0.304 -10.031 -6.397 1.00 0.00 C ATOM 715 NZ LYS A 47 1.694 -9.817 -6.887 1.00 0.00 N ATOM 0 H LYS A 47 -2.649 -7.089 -2.921 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.553 -9.748 -3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.937 -8.318 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.949 -10.046 -2.590 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.649 -10.533 -4.820 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.108 -8.870 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.103 -8.151 -5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.751 -9.439 -4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.154 -11.089 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.403 -9.762 -7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.854 -10.392 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.830 -8.812 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.370 -10.097 -6.148 1.00 0.00 H new ATOM 729 N GLU A 48 -2.470 -8.894 -0.215 1.00 0.00 N ATOM 730 CA GLU A 48 -2.476 -9.293 1.187 1.00 0.00 C ATOM 731 C GLU A 48 -3.904 -9.423 1.710 1.00 0.00 C ATOM 732 O GLU A 48 -4.233 -10.373 2.419 1.00 0.00 O ATOM 733 CB GLU A 48 -1.703 -8.278 2.032 1.00 0.00 C ATOM 734 CG GLU A 48 -0.194 -8.401 1.900 1.00 0.00 C ATOM 735 CD GLU A 48 0.244 -8.719 0.483 1.00 0.00 C ATOM 736 OE1 GLU A 48 0.296 -9.917 0.134 1.00 0.00 O ATOM 737 OE2 GLU A 48 0.534 -7.771 -0.276 1.00 0.00 O ATOM 0 H GLU A 48 -2.059 -7.977 -0.391 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.989 -10.265 1.263 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.004 -7.271 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.979 -8.404 3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.272 -7.469 2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.163 -9.183 2.571 1.00 0.00 H new ATOM 744 N ALA A 49 -4.748 -8.459 1.355 1.00 0.00 N ATOM 745 CA ALA A 49 -6.140 -8.466 1.786 1.00 0.00 C ATOM 746 C ALA A 49 -6.864 -9.711 1.284 1.00 0.00 C ATOM 747 O ALA A 49 -7.514 -10.415 2.057 1.00 0.00 O ATOM 748 CB ALA A 49 -6.849 -7.210 1.302 1.00 0.00 C ATOM 0 H ALA A 49 -4.491 -7.664 0.770 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.157 -8.482 2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.888 -7.229 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.354 -6.331 1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.814 -7.169 0.213 1.00 0.00 H new ATOM 754 N GLN A 50 -6.748 -9.975 -0.013 1.00 0.00 N ATOM 755 CA GLN A 50 -7.394 -11.134 -0.617 1.00 0.00 C ATOM 756 C GLN A 50 -7.069 -12.405 0.161 1.00 0.00 C ATOM 757 O GLN A 50 -7.938 -13.249 0.384 1.00 0.00 O ATOM 758 CB GLN A 50 -6.954 -11.288 -2.074 1.00 0.00 C ATOM 759 CG GLN A 50 -8.006 -11.930 -2.963 1.00 0.00 C ATOM 760 CD GLN A 50 -7.402 -12.718 -4.108 1.00 0.00 C ATOM 761 OE1 GLN A 50 -6.772 -13.756 -3.899 1.00 0.00 O ATOM 762 NE2 GLN A 50 -7.589 -12.229 -5.328 1.00 0.00 N ATOM 0 H GLN A 50 -6.213 -9.402 -0.666 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.472 -10.975 -0.585 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.702 -10.306 -2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.045 -11.889 -2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.630 -12.591 -2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.658 -11.155 -3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.117 -11.366 -5.456 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.204 -12.716 -6.137 1.00 0.00 H new ATOM 771 N LYS A 51 -5.813 -12.536 0.573 1.00 0.00 N ATOM 772 CA LYS A 51 -5.372 -13.703 1.328 1.00 0.00 C ATOM 773 C LYS A 51 -5.847 -13.626 2.776 1.00 0.00 C ATOM 774 O LYS A 51 -6.616 -14.471 3.232 1.00 0.00 O ATOM 775 CB LYS A 51 -3.847 -13.818 1.285 1.00 0.00 C ATOM 776 CG LYS A 51 -3.300 -14.150 -0.092 1.00 0.00 C ATOM 777 CD LYS A 51 -1.900 -13.592 -0.285 1.00 0.00 C ATOM 778 CE LYS A 51 -0.866 -14.408 0.476 1.00 0.00 C ATOM 779 NZ LYS A 51 -0.465 -15.632 -0.271 1.00 0.00 N ATOM 0 H LYS A 51 -5.081 -11.848 0.397 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.810 -14.589 0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.411 -12.878 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.529 -14.588 1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.283 -15.231 -0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.963 -13.744 -0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.652 -13.587 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.870 -12.557 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.014 -13.793 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.271 -14.692 1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.241 -16.160 0.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.300 -16.231 -0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.055 -15.361 -1.187 1.00 0.00 H new ATOM 793 N GLU A 52 -5.383 -12.606 3.492 1.00 0.00 N ATOM 794 CA GLU A 52 -5.762 -12.419 4.888 1.00 0.00 C ATOM 795 C GLU A 52 -7.279 -12.352 5.036 1.00 0.00 C ATOM 796 O GLU A 52 -7.888 -13.201 5.686 1.00 0.00 O ATOM 797 CB GLU A 52 -5.127 -11.143 5.445 1.00 0.00 C ATOM 798 CG GLU A 52 -3.612 -11.115 5.327 1.00 0.00 C ATOM 799 CD GLU A 52 -2.922 -11.719 6.535 1.00 0.00 C ATOM 800 OE1 GLU A 52 -2.678 -12.944 6.526 1.00 0.00 O ATOM 801 OE2 GLU A 52 -2.627 -10.969 7.488 1.00 0.00 O ATOM 0 H GLU A 52 -4.745 -11.898 3.129 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.397 -13.275 5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.540 -10.282 4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.403 -11.038 6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.311 -11.659 4.432 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.280 -10.084 5.201 1.00 0.00 H new ATOM 808 N GLY A 53 -7.883 -11.336 4.428 1.00 0.00 N ATOM 809 CA GLY A 53 -9.323 -11.175 4.504 1.00 0.00 C ATOM 810 C GLY A 53 -9.730 -9.987 5.352 1.00 0.00 C ATOM 811 O GLY A 53 -10.654 -10.080 6.161 1.00 0.00 O ATOM 0 H GLY A 53 -7.400 -10.621 3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.725 -11.054 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.765 -12.081 4.918 1.00 0.00 H new ATOM 815 N TRP A 54 -9.039 -8.867 5.169 1.00 0.00 N ATOM 816 CA TRP A 54 -9.333 -7.655 5.925 1.00 0.00 C ATOM 817 C TRP A 54 -10.751 -7.170 5.645 1.00 0.00 C ATOM 818 O TRP A 54 -11.319 -7.456 4.591 1.00 0.00 O ATOM 819 CB TRP A 54 -8.327 -6.557 5.579 1.00 0.00 C ATOM 820 CG TRP A 54 -6.908 -6.934 5.882 1.00 0.00 C ATOM 821 CD1 TRP A 54 -6.468 -7.697 6.925 1.00 0.00 C ATOM 822 CD2 TRP A 54 -5.745 -6.562 5.135 1.00 0.00 C ATOM 823 NE1 TRP A 54 -5.101 -7.823 6.872 1.00 0.00 N ATOM 824 CE2 TRP A 54 -4.633 -7.136 5.783 1.00 0.00 C ATOM 825 CE3 TRP A 54 -5.533 -5.802 3.982 1.00 0.00 C ATOM 826 CZ2 TRP A 54 -3.332 -6.972 5.314 1.00 0.00 C ATOM 827 CZ3 TRP A 54 -4.242 -5.640 3.518 1.00 0.00 C ATOM 828 CH2 TRP A 54 -3.155 -6.223 4.183 1.00 0.00 C ATOM 0 H TRP A 54 -8.271 -8.773 4.504 1.00 0.00 H new ATOM 0 HA TRP A 54 -9.252 -7.890 6.986 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.413 -6.316 4.519 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -8.581 -5.653 6.133 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.102 -8.137 7.681 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.528 -8.344 7.536 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.364 -5.349 3.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.493 -7.420 5.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.067 -5.054 2.628 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.158 -6.078 3.795 1.00 0.00 H new ATOM 839 N SER A 55 -11.318 -6.434 6.596 1.00 0.00 N ATOM 840 CA SER A 55 -12.672 -5.911 6.452 1.00 0.00 C ATOM 841 C SER A 55 -12.913 -5.410 5.032 1.00 0.00 C ATOM 842 O SER A 55 -12.126 -4.631 4.493 1.00 0.00 O ATOM 843 CB SER A 55 -12.913 -4.779 7.453 1.00 0.00 C ATOM 844 OG SER A 55 -14.263 -4.350 7.422 1.00 0.00 O ATOM 0 H SER A 55 -10.861 -6.187 7.474 1.00 0.00 H new ATOM 0 HA SER A 55 -13.372 -6.722 6.656 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.659 -5.117 8.457 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.256 -3.940 7.223 1.00 0.00 H new ATOM 0 HG SER A 55 -14.392 -3.628 8.072 1.00 0.00 H new ATOM 850 N LYS A 56 -14.008 -5.862 4.430 1.00 0.00 N ATOM 851 CA LYS A 56 -14.356 -5.460 3.072 1.00 0.00 C ATOM 852 C LYS A 56 -15.869 -5.362 2.905 1.00 0.00 C ATOM 853 O LYS A 56 -16.620 -6.133 3.501 1.00 0.00 O ATOM 854 CB LYS A 56 -13.784 -6.456 2.060 1.00 0.00 C ATOM 855 CG LYS A 56 -14.022 -6.058 0.614 1.00 0.00 C ATOM 856 CD LYS A 56 -13.648 -7.179 -0.341 1.00 0.00 C ATOM 857 CE LYS A 56 -13.596 -6.691 -1.781 1.00 0.00 C ATOM 858 NZ LYS A 56 -12.285 -6.064 -2.107 1.00 0.00 N ATOM 0 H LYS A 56 -14.670 -6.507 4.861 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.923 -4.477 2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.712 -6.557 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -14.228 -7.436 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.071 -5.796 0.476 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.437 -5.169 0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.678 -7.590 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -14.373 -7.988 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.776 -7.529 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -14.396 -5.969 -1.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.289 -5.745 -3.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.125 -5.249 -1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.524 -6.760 -1.971 1.00 0.00 H new ATOM 872 N ALA A 57 -16.309 -4.410 2.088 1.00 0.00 N ATOM 873 CA ALA A 57 -17.732 -4.214 1.840 1.00 0.00 C ATOM 874 C ALA A 57 -18.237 -5.165 0.760 1.00 0.00 C ATOM 875 O ALA A 57 -17.587 -5.353 -0.268 1.00 0.00 O ATOM 876 CB ALA A 57 -18.005 -2.771 1.445 1.00 0.00 C ATOM 0 H ALA A 57 -15.700 -3.763 1.587 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.270 -4.435 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.072 -2.639 1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.690 -2.107 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.450 -2.531 0.538 1.00 0.00 H new ATOM 882 N ALA A 58 -19.399 -5.763 1.001 1.00 0.00 N ATOM 883 CA ALA A 58 -19.991 -6.694 0.048 1.00 0.00 C ATOM 884 C ALA A 58 -21.448 -6.339 -0.233 1.00 0.00 C ATOM 885 O ALA A 58 -22.304 -7.219 -0.326 1.00 0.00 O ATOM 886 CB ALA A 58 -19.884 -8.120 0.567 1.00 0.00 C ATOM 0 H ALA A 58 -19.949 -5.619 1.848 1.00 0.00 H new ATOM 0 HA ALA A 58 -19.438 -6.618 -0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -20.330 -8.804 -0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -18.835 -8.377 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -20.411 -8.202 1.518 1.00 0.00 H new ATOM 892 N SER A 59 -21.722 -5.045 -0.367 1.00 0.00 N ATOM 893 CA SER A 59 -23.076 -4.575 -0.632 1.00 0.00 C ATOM 894 C SER A 59 -23.464 -4.829 -2.086 1.00 0.00 C ATOM 895 O SER A 59 -22.625 -5.190 -2.910 1.00 0.00 O ATOM 896 CB SER A 59 -23.191 -3.082 -0.316 1.00 0.00 C ATOM 897 OG SER A 59 -24.546 -2.693 -0.180 1.00 0.00 O ATOM 0 H SER A 59 -21.024 -4.304 -0.296 1.00 0.00 H new ATOM 0 HA SER A 59 -23.759 -5.130 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 59 -22.651 -2.859 0.604 1.00 0.00 H new ATOM 0 HB3 SER A 59 -22.721 -2.502 -1.110 1.00 0.00 H new ATOM 0 HG SER A 59 -24.593 -1.735 0.023 1.00 0.00 H new ATOM 903 N GLY A 60 -24.744 -4.638 -2.392 1.00 0.00 N ATOM 904 CA GLY A 60 -25.223 -4.852 -3.745 1.00 0.00 C ATOM 905 C GLY A 60 -25.089 -3.614 -4.610 1.00 0.00 C ATOM 906 O GLY A 60 -24.290 -2.720 -4.331 1.00 0.00 O ATOM 0 H GLY A 60 -25.457 -4.339 -1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -24.665 -5.671 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -26.269 -5.158 -3.713 1.00 0.00 H new ATOM 910 N PRO A 61 -25.884 -3.552 -5.688 1.00 0.00 N ATOM 911 CA PRO A 61 -25.868 -2.420 -6.619 1.00 0.00 C ATOM 912 C PRO A 61 -26.445 -1.152 -5.999 1.00 0.00 C ATOM 913 O PRO A 61 -27.614 -1.114 -5.615 1.00 0.00 O ATOM 914 CB PRO A 61 -26.749 -2.899 -7.775 1.00 0.00 C ATOM 915 CG PRO A 61 -27.657 -3.911 -7.166 1.00 0.00 C ATOM 916 CD PRO A 61 -26.859 -4.583 -6.082 1.00 0.00 C ATOM 0 HA PRO A 61 -24.855 -2.154 -6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -27.312 -2.074 -8.212 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -26.150 -3.335 -8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -28.550 -3.438 -6.757 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -27.991 -4.634 -7.910 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -27.490 -4.881 -5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -26.366 -5.484 -6.446 1.00 0.00 H new ATOM 924 N SER A 62 -25.619 -0.115 -5.906 1.00 0.00 N ATOM 925 CA SER A 62 -26.047 1.154 -5.329 1.00 0.00 C ATOM 926 C SER A 62 -25.583 2.325 -6.190 1.00 0.00 C ATOM 927 O SER A 62 -24.568 2.239 -6.881 1.00 0.00 O ATOM 928 CB SER A 62 -25.500 1.303 -3.908 1.00 0.00 C ATOM 929 OG SER A 62 -26.206 2.302 -3.192 1.00 0.00 O ATOM 0 H SER A 62 -24.650 -0.129 -6.223 1.00 0.00 H new ATOM 0 HA SER A 62 -27.136 1.160 -5.293 1.00 0.00 H new ATOM 0 HB2 SER A 62 -25.578 0.351 -3.383 1.00 0.00 H new ATOM 0 HB3 SER A 62 -24.441 1.559 -3.947 1.00 0.00 H new ATOM 0 HG SER A 62 -25.839 2.377 -2.287 1.00 0.00 H new ATOM 935 N SER A 63 -26.335 3.421 -6.142 1.00 0.00 N ATOM 936 CA SER A 63 -26.005 4.609 -6.920 1.00 0.00 C ATOM 937 C SER A 63 -25.962 4.288 -8.411 1.00 0.00 C ATOM 938 O SER A 63 -25.075 4.744 -9.130 1.00 0.00 O ATOM 939 CB SER A 63 -24.658 5.180 -6.471 1.00 0.00 C ATOM 940 OG SER A 63 -24.379 6.404 -7.129 1.00 0.00 O ATOM 0 H SER A 63 -27.176 3.510 -5.572 1.00 0.00 H new ATOM 0 HA SER A 63 -26.783 5.353 -6.749 1.00 0.00 H new ATOM 0 HB2 SER A 63 -24.667 5.337 -5.392 1.00 0.00 H new ATOM 0 HB3 SER A 63 -23.866 4.461 -6.682 1.00 0.00 H new ATOM 0 HG SER A 63 -24.390 6.264 -8.099 1.00 0.00 H new ATOM 946 N GLY A 64 -26.930 3.499 -8.868 1.00 0.00 N ATOM 947 CA GLY A 64 -26.985 3.129 -10.270 1.00 0.00 C ATOM 948 C GLY A 64 -28.404 3.084 -10.802 1.00 0.00 C ATOM 949 O GLY A 64 -29.138 4.068 -10.715 1.00 0.00 O ATOM 0 H GLY A 64 -27.677 3.110 -8.292 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -26.404 3.842 -10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -26.519 2.153 -10.404 1.00 0.00 H new TER 953 GLY A 64