USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 609 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 62 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 65 SER OG : rot -130:sc= 0.767 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -59:sc= 1.04 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00604 USER MOD Single : A 30 ASN : amide:sc= -4.05! C(o=-4.1!,f=-4.1!) USER MOD Single : A 31 HIS : no HD1:sc= -1.05 K(o=-1,f=-0.52) USER MOD Single : A 33 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.863) USER MOD Single : A 34 SER OG : rot 5:sc= 0.163 USER MOD Single : A 35 CYS SG : rot 25:sc= -2.58 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -116:sc= -4.99! (180deg=-7.39!) USER MOD Single : A 44 ASN : amide:sc= -0.0868 X(o=-0.087,f=-0.068) USER MOD Single : A 45 THR OG1 : rot 76:sc= 0.0763 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 70:sc= 0.854 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.954 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 113:sc= -0.395! USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0548 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.164 13.324 -22.664 1.00 0.00 N ATOM 2 CA GLY A 1 -5.313 13.238 -21.492 1.00 0.00 C ATOM 3 C GLY A 1 -5.931 12.405 -20.386 1.00 0.00 C ATOM 4 O GLY A 1 -6.952 12.783 -19.812 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.697 13.903 -23.390 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.335 12.369 -23.040 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.071 13.761 -22.403 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.353 12.806 -21.775 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.113 14.242 -21.118 1.00 0.00 H new ATOM 8 N SER A 2 -5.312 11.267 -20.088 1.00 0.00 N ATOM 9 CA SER A 2 -5.811 10.375 -19.048 1.00 0.00 C ATOM 10 C SER A 2 -5.723 11.038 -17.677 1.00 0.00 C ATOM 11 O SER A 2 -4.633 11.315 -17.178 1.00 0.00 O ATOM 12 CB SER A 2 -5.020 9.066 -19.046 1.00 0.00 C ATOM 13 OG SER A 2 -5.774 8.015 -18.467 1.00 0.00 O ATOM 0 H SER A 2 -4.464 10.941 -20.552 1.00 0.00 H new ATOM 0 HA SER A 2 -6.858 10.158 -19.261 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.746 8.801 -20.067 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.091 9.200 -18.491 1.00 0.00 H new ATOM 0 HG SER A 2 -5.247 7.189 -18.479 1.00 0.00 H new ATOM 19 N SER A 3 -6.880 11.289 -17.072 1.00 0.00 N ATOM 20 CA SER A 3 -6.936 11.923 -15.760 1.00 0.00 C ATOM 21 C SER A 3 -8.361 11.918 -15.215 1.00 0.00 C ATOM 22 O SER A 3 -9.323 12.103 -15.959 1.00 0.00 O ATOM 23 CB SER A 3 -6.413 13.358 -15.841 1.00 0.00 C ATOM 24 OG SER A 3 -5.899 13.785 -14.591 1.00 0.00 O ATOM 0 H SER A 3 -7.792 11.063 -17.470 1.00 0.00 H new ATOM 0 HA SER A 3 -6.304 11.352 -15.080 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.633 13.422 -16.599 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.217 14.024 -16.154 1.00 0.00 H new ATOM 0 HG SER A 3 -5.569 14.705 -14.670 1.00 0.00 H new ATOM 30 N GLY A 4 -8.487 11.706 -13.908 1.00 0.00 N ATOM 31 CA GLY A 4 -9.797 11.681 -13.284 1.00 0.00 C ATOM 32 C GLY A 4 -9.741 12.015 -11.806 1.00 0.00 C ATOM 33 O GLY A 4 -8.713 11.821 -11.157 1.00 0.00 O ATOM 0 H GLY A 4 -7.706 11.551 -13.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.451 12.392 -13.790 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.239 10.693 -13.414 1.00 0.00 H new ATOM 37 N SER A 5 -10.849 12.520 -11.273 1.00 0.00 N ATOM 38 CA SER A 5 -10.921 12.886 -9.863 1.00 0.00 C ATOM 39 C SER A 5 -12.216 12.380 -9.235 1.00 0.00 C ATOM 40 O SER A 5 -13.211 13.101 -9.172 1.00 0.00 O ATOM 41 CB SER A 5 -10.823 14.405 -9.704 1.00 0.00 C ATOM 42 OG SER A 5 -10.669 14.766 -8.343 1.00 0.00 O ATOM 0 H SER A 5 -11.709 12.685 -11.796 1.00 0.00 H new ATOM 0 HA SER A 5 -10.082 12.418 -9.348 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.978 14.780 -10.281 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.719 14.875 -10.109 1.00 0.00 H new ATOM 0 HG SER A 5 -10.607 15.741 -8.268 1.00 0.00 H new ATOM 48 N SER A 6 -12.194 11.134 -8.773 1.00 0.00 N ATOM 49 CA SER A 6 -13.366 10.528 -8.153 1.00 0.00 C ATOM 50 C SER A 6 -13.550 11.036 -6.726 1.00 0.00 C ATOM 51 O SER A 6 -13.737 10.253 -5.796 1.00 0.00 O ATOM 52 CB SER A 6 -13.238 9.003 -8.151 1.00 0.00 C ATOM 53 OG SER A 6 -14.363 8.396 -8.761 1.00 0.00 O ATOM 0 H SER A 6 -11.377 10.525 -8.816 1.00 0.00 H new ATOM 0 HA SER A 6 -14.242 10.811 -8.737 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.331 8.710 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.138 8.645 -7.126 1.00 0.00 H new ATOM 0 HG SER A 6 -14.256 7.422 -8.749 1.00 0.00 H new ATOM 59 N GLY A 7 -13.495 12.354 -6.562 1.00 0.00 N ATOM 60 CA GLY A 7 -13.657 12.946 -5.247 1.00 0.00 C ATOM 61 C GLY A 7 -14.722 12.247 -4.424 1.00 0.00 C ATOM 62 O GLY A 7 -15.906 12.568 -4.528 1.00 0.00 O ATOM 0 H GLY A 7 -13.341 13.023 -7.317 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.707 12.907 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.918 13.999 -5.355 1.00 0.00 H new ATOM 66 N ARG A 8 -14.300 11.289 -3.605 1.00 0.00 N ATOM 67 CA ARG A 8 -15.227 10.542 -2.764 1.00 0.00 C ATOM 68 C ARG A 8 -14.517 9.991 -1.530 1.00 0.00 C ATOM 69 O ARG A 8 -13.501 9.304 -1.639 1.00 0.00 O ATOM 70 CB ARG A 8 -15.858 9.395 -3.556 1.00 0.00 C ATOM 71 CG ARG A 8 -16.833 9.859 -4.626 1.00 0.00 C ATOM 72 CD ARG A 8 -17.393 8.686 -5.415 1.00 0.00 C ATOM 73 NE ARG A 8 -18.424 7.968 -4.672 1.00 0.00 N ATOM 74 CZ ARG A 8 -19.354 7.213 -5.246 1.00 0.00 C ATOM 75 NH1 ARG A 8 -19.380 7.077 -6.565 1.00 0.00 N ATOM 76 NH2 ARG A 8 -20.259 6.591 -4.502 1.00 0.00 N ATOM 0 H ARG A 8 -13.323 11.012 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 8 -16.012 11.224 -2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -15.067 8.811 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -16.378 8.731 -2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.651 10.410 -4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -16.330 10.548 -5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -17.809 9.048 -6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.584 8.000 -5.667 1.00 0.00 H new ATOM 0 HE ARG A 8 -18.431 8.051 -3.655 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -18.685 7.553 -7.141 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.095 6.497 -7.004 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -20.242 6.692 -3.487 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -20.972 6.012 -4.945 1.00 0.00 H new ATOM 90 N LYS A 9 -15.059 10.297 -0.356 1.00 0.00 N ATOM 91 CA LYS A 9 -14.480 9.833 0.899 1.00 0.00 C ATOM 92 C LYS A 9 -14.279 8.322 0.880 1.00 0.00 C ATOM 93 O LYS A 9 -15.179 7.556 0.534 1.00 0.00 O ATOM 94 CB LYS A 9 -15.379 10.224 2.074 1.00 0.00 C ATOM 95 CG LYS A 9 -14.872 9.729 3.418 1.00 0.00 C ATOM 96 CD LYS A 9 -14.170 10.834 4.190 1.00 0.00 C ATOM 97 CE LYS A 9 -13.982 10.459 5.652 1.00 0.00 C ATOM 98 NZ LYS A 9 -15.185 10.784 6.468 1.00 0.00 N ATOM 0 H LYS A 9 -15.899 10.865 -0.248 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.507 10.309 1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.469 11.310 2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -16.379 9.826 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.707 9.348 4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.184 8.897 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.199 11.036 3.737 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.751 11.754 4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.769 9.393 5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.117 10.987 6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.017 10.513 7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.374 11.805 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.005 10.261 6.101 1.00 0.00 H new ATOM 112 N PRO A 10 -13.071 7.879 1.261 1.00 0.00 N ATOM 113 CA PRO A 10 -12.725 6.455 1.297 1.00 0.00 C ATOM 114 C PRO A 10 -13.457 5.709 2.408 1.00 0.00 C ATOM 115 O PRO A 10 -13.202 5.909 3.595 1.00 0.00 O ATOM 116 CB PRO A 10 -11.217 6.464 1.562 1.00 0.00 C ATOM 117 CG PRO A 10 -10.962 7.757 2.256 1.00 0.00 C ATOM 118 CD PRO A 10 -11.951 8.736 1.685 1.00 0.00 C ATOM 0 HA PRO A 10 -13.007 5.943 0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.919 5.617 2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.651 6.395 0.633 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.092 7.654 3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.939 8.094 2.090 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.265 9.470 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.529 9.291 0.847 1.00 0.00 H new ATOM 126 N PRO A 11 -14.388 4.828 2.015 1.00 0.00 N ATOM 127 CA PRO A 11 -15.176 4.033 2.963 1.00 0.00 C ATOM 128 C PRO A 11 -14.335 2.977 3.672 1.00 0.00 C ATOM 129 O PRO A 11 -13.422 2.386 3.096 1.00 0.00 O ATOM 130 CB PRO A 11 -16.232 3.369 2.076 1.00 0.00 C ATOM 131 CG PRO A 11 -15.612 3.315 0.723 1.00 0.00 C ATOM 132 CD PRO A 11 -14.745 4.539 0.616 1.00 0.00 C ATOM 0 HA PRO A 11 -15.594 4.646 3.761 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.481 2.371 2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -17.158 3.944 2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.022 2.407 0.600 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.375 3.308 -0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.861 4.353 0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.279 5.371 0.158 1.00 0.00 H new ATOM 140 N PRO A 12 -14.648 2.733 4.953 1.00 0.00 N ATOM 141 CA PRO A 12 -13.934 1.746 5.768 1.00 0.00 C ATOM 142 C PRO A 12 -14.215 0.315 5.324 1.00 0.00 C ATOM 143 O PRO A 12 -15.158 0.059 4.576 1.00 0.00 O ATOM 144 CB PRO A 12 -14.482 1.986 7.177 1.00 0.00 C ATOM 145 CG PRO A 12 -15.829 2.584 6.963 1.00 0.00 C ATOM 146 CD PRO A 12 -15.725 3.401 5.704 1.00 0.00 C ATOM 0 HA PRO A 12 -12.853 1.860 5.691 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -14.547 1.055 7.740 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.837 2.657 7.744 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -16.589 1.809 6.863 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -16.118 3.207 7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.662 3.403 5.147 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.480 4.441 5.919 1.00 0.00 H new ATOM 154 N LYS A 13 -13.390 -0.617 5.791 1.00 0.00 N ATOM 155 CA LYS A 13 -13.550 -2.024 5.444 1.00 0.00 C ATOM 156 C LYS A 13 -12.785 -2.915 6.417 1.00 0.00 C ATOM 157 O LYS A 13 -11.780 -2.501 6.996 1.00 0.00 O ATOM 158 CB LYS A 13 -13.064 -2.277 4.015 1.00 0.00 C ATOM 159 CG LYS A 13 -13.416 -3.657 3.488 1.00 0.00 C ATOM 160 CD LYS A 13 -14.839 -3.705 2.957 1.00 0.00 C ATOM 161 CE LYS A 13 -15.401 -5.117 2.997 1.00 0.00 C ATOM 162 NZ LYS A 13 -16.711 -5.173 3.703 1.00 0.00 N ATOM 0 H LYS A 13 -12.604 -0.423 6.411 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.610 -2.270 5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -13.495 -1.524 3.355 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.982 -2.149 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.721 -3.933 2.695 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.299 -4.392 4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.472 -3.043 3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.859 -3.333 1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.521 -5.489 1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.691 -5.776 3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.061 -6.152 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.592 -4.842 4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.396 -4.564 3.212 1.00 0.00 H new ATOM 176 N LYS A 14 -13.265 -4.141 6.593 1.00 0.00 N ATOM 177 CA LYS A 14 -12.626 -5.093 7.494 1.00 0.00 C ATOM 178 C LYS A 14 -12.616 -6.493 6.889 1.00 0.00 C ATOM 179 O LYS A 14 -13.573 -7.253 7.039 1.00 0.00 O ATOM 180 CB LYS A 14 -13.348 -5.114 8.843 1.00 0.00 C ATOM 181 CG LYS A 14 -14.857 -5.237 8.723 1.00 0.00 C ATOM 182 CD LYS A 14 -15.443 -6.041 9.871 1.00 0.00 C ATOM 183 CE LYS A 14 -15.716 -7.481 9.461 1.00 0.00 C ATOM 184 NZ LYS A 14 -14.875 -8.444 10.224 1.00 0.00 N ATOM 0 H LYS A 14 -14.096 -4.499 6.123 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.595 -4.775 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.970 -5.947 9.435 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.108 -4.201 9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.304 -4.243 8.708 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.110 -5.715 7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -14.754 -6.026 10.716 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.369 -5.575 10.207 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -16.769 -7.711 9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.524 -7.597 8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.091 -9.414 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.870 -8.241 10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.076 -8.351 11.240 1.00 0.00 H new ATOM 198 N LYS A 15 -11.527 -6.829 6.204 1.00 0.00 N ATOM 199 CA LYS A 15 -11.391 -8.139 5.579 1.00 0.00 C ATOM 200 C LYS A 15 -10.207 -8.902 6.166 1.00 0.00 C ATOM 201 O LYS A 15 -9.426 -9.511 5.436 1.00 0.00 O ATOM 202 CB LYS A 15 -11.214 -7.988 4.066 1.00 0.00 C ATOM 203 CG LYS A 15 -9.907 -7.323 3.670 1.00 0.00 C ATOM 204 CD LYS A 15 -10.049 -5.811 3.604 1.00 0.00 C ATOM 205 CE LYS A 15 -9.241 -5.225 2.456 1.00 0.00 C ATOM 206 NZ LYS A 15 -9.761 -3.895 2.035 1.00 0.00 N ATOM 0 H LYS A 15 -10.726 -6.212 6.068 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.301 -8.706 5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.266 -8.973 3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.044 -7.404 3.668 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.131 -7.586 4.389 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.584 -7.702 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.100 -5.548 3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.718 -5.372 4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.198 -5.128 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.265 -5.910 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.184 -3.529 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.748 -3.991 1.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.714 -3.234 2.837 1.00 0.00 H new ATOM 220 N MET A 16 -10.083 -8.864 7.489 1.00 0.00 N ATOM 221 CA MET A 16 -8.996 -9.555 8.173 1.00 0.00 C ATOM 222 C MET A 16 -7.656 -8.891 7.873 1.00 0.00 C ATOM 223 O MET A 16 -7.287 -8.709 6.712 1.00 0.00 O ATOM 224 CB MET A 16 -8.955 -11.026 7.755 1.00 0.00 C ATOM 225 CG MET A 16 -8.804 -11.986 8.924 1.00 0.00 C ATOM 226 SD MET A 16 -7.089 -12.459 9.218 1.00 0.00 S ATOM 227 CE MET A 16 -7.281 -13.588 10.595 1.00 0.00 C ATOM 0 H MET A 16 -10.721 -8.363 8.108 1.00 0.00 H new ATOM 0 HA MET A 16 -9.179 -9.495 9.246 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.870 -11.267 7.213 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.126 -11.176 7.063 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.208 -11.523 9.824 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.396 -12.881 8.733 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.304 -13.967 10.893 1.00 0.00 H new ATOM 0 HE2 MET A 16 -7.739 -13.064 11.434 1.00 0.00 H new ATOM 0 HE3 MET A 16 -7.918 -14.421 10.297 1.00 0.00 H new ATOM 237 N THR A 17 -6.930 -8.530 8.927 1.00 0.00 N ATOM 238 CA THR A 17 -5.632 -7.885 8.776 1.00 0.00 C ATOM 239 C THR A 17 -4.895 -8.412 7.550 1.00 0.00 C ATOM 240 O THR A 17 -4.822 -9.620 7.329 1.00 0.00 O ATOM 241 CB THR A 17 -4.750 -8.099 10.021 1.00 0.00 C ATOM 242 OG1 THR A 17 -5.393 -7.550 11.177 1.00 0.00 O ATOM 243 CG2 THR A 17 -3.387 -7.450 9.837 1.00 0.00 C ATOM 0 H THR A 17 -7.219 -8.674 9.894 1.00 0.00 H new ATOM 0 HA THR A 17 -5.822 -6.819 8.652 1.00 0.00 H new ATOM 0 HB THR A 17 -4.609 -9.171 10.159 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.827 -7.692 11.964 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.782 -7.614 10.729 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.888 -7.890 8.974 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.513 -6.379 9.676 1.00 0.00 H new ATOM 251 N GLY A 18 -4.350 -7.497 6.754 1.00 0.00 N ATOM 252 CA GLY A 18 -3.625 -7.889 5.560 1.00 0.00 C ATOM 253 C GLY A 18 -2.158 -8.154 5.832 1.00 0.00 C ATOM 254 O GLY A 18 -1.658 -7.866 6.920 1.00 0.00 O ATOM 0 H GLY A 18 -4.398 -6.491 6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.081 -8.786 5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.716 -7.104 4.810 1.00 0.00 H new ATOM 258 N THR A 19 -1.464 -8.707 4.842 1.00 0.00 N ATOM 259 CA THR A 19 -0.046 -9.014 4.981 1.00 0.00 C ATOM 260 C THR A 19 0.801 -8.113 4.090 1.00 0.00 C ATOM 261 O THR A 19 0.376 -7.720 3.003 1.00 0.00 O ATOM 262 CB THR A 19 0.247 -10.485 4.631 1.00 0.00 C ATOM 263 OG1 THR A 19 1.626 -10.782 4.880 1.00 0.00 O ATOM 264 CG2 THR A 19 -0.084 -10.771 3.174 1.00 0.00 C ATOM 0 H THR A 19 -1.861 -8.951 3.935 1.00 0.00 H new ATOM 0 HA THR A 19 0.215 -8.838 6.024 1.00 0.00 H new ATOM 0 HB THR A 19 -0.380 -11.117 5.260 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.804 -11.719 4.657 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.131 -11.816 2.950 1.00 0.00 H new ATOM 0 HG22 THR A 19 -1.141 -10.572 2.995 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.520 -10.131 2.531 1.00 0.00 H new ATOM 272 N LEU A 20 2.002 -7.788 4.556 1.00 0.00 N ATOM 273 CA LEU A 20 2.911 -6.933 3.801 1.00 0.00 C ATOM 274 C LEU A 20 3.245 -7.555 2.448 1.00 0.00 C ATOM 275 O LEU A 20 4.225 -8.287 2.317 1.00 0.00 O ATOM 276 CB LEU A 20 4.196 -6.692 4.595 1.00 0.00 C ATOM 277 CG LEU A 20 4.378 -5.286 5.166 1.00 0.00 C ATOM 278 CD1 LEU A 20 3.351 -5.013 6.254 1.00 0.00 C ATOM 279 CD2 LEU A 20 5.790 -5.108 5.705 1.00 0.00 C ATOM 0 H LEU A 20 2.369 -8.104 5.454 1.00 0.00 H new ATOM 0 HA LEU A 20 2.414 -5.978 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.229 -7.404 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.046 -6.913 3.949 1.00 0.00 H new ATOM 0 HG LEU A 20 4.224 -4.566 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.497 -4.007 6.648 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.348 -5.097 5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.471 -5.739 7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.902 -4.101 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.973 -5.837 6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.509 -5.258 4.899 1.00 0.00 H new ATOM 291 N GLU A 21 2.425 -7.254 1.446 1.00 0.00 N ATOM 292 CA GLU A 21 2.635 -7.783 0.103 1.00 0.00 C ATOM 293 C GLU A 21 2.851 -6.653 -0.899 1.00 0.00 C ATOM 294 O GLU A 21 2.662 -6.829 -2.103 1.00 0.00 O ATOM 295 CB GLU A 21 1.441 -8.638 -0.325 1.00 0.00 C ATOM 296 CG GLU A 21 0.123 -7.882 -0.334 1.00 0.00 C ATOM 297 CD GLU A 21 -0.995 -8.666 -0.992 1.00 0.00 C ATOM 298 OE1 GLU A 21 -0.729 -9.335 -2.013 1.00 0.00 O ATOM 299 OE2 GLU A 21 -2.136 -8.612 -0.487 1.00 0.00 O ATOM 0 H GLU A 21 1.610 -6.647 1.538 1.00 0.00 H new ATOM 0 HA GLU A 21 3.530 -8.405 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.629 -9.036 -1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.356 -9.491 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.161 -7.642 0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.255 -6.935 -0.858 1.00 0.00 H new ATOM 306 N THR A 22 3.248 -5.489 -0.393 1.00 0.00 N ATOM 307 CA THR A 22 3.488 -4.329 -1.242 1.00 0.00 C ATOM 308 C THR A 22 2.452 -4.239 -2.356 1.00 0.00 C ATOM 309 O THR A 22 2.712 -3.664 -3.412 1.00 0.00 O ATOM 310 CB THR A 22 4.895 -4.372 -1.867 1.00 0.00 C ATOM 311 OG1 THR A 22 5.032 -3.328 -2.838 1.00 0.00 O ATOM 312 CG2 THR A 22 5.154 -5.719 -2.524 1.00 0.00 C ATOM 0 H THR A 22 3.410 -5.325 0.601 1.00 0.00 H new ATOM 0 HA THR A 22 3.409 -3.449 -0.604 1.00 0.00 H new ATOM 0 HB THR A 22 5.626 -4.226 -1.072 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.355 -3.441 -3.538 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.154 -5.726 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.078 -6.509 -1.777 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.416 -5.889 -3.308 1.00 0.00 H new ATOM 320 N GLN A 23 1.276 -4.809 -2.112 1.00 0.00 N ATOM 321 CA GLN A 23 0.201 -4.793 -3.096 1.00 0.00 C ATOM 322 C GLN A 23 -1.088 -4.252 -2.485 1.00 0.00 C ATOM 323 O GLN A 23 -1.411 -4.544 -1.334 1.00 0.00 O ATOM 324 CB GLN A 23 -0.034 -6.199 -3.650 1.00 0.00 C ATOM 325 CG GLN A 23 0.731 -6.484 -4.932 1.00 0.00 C ATOM 326 CD GLN A 23 0.731 -7.955 -5.297 1.00 0.00 C ATOM 327 OE1 GLN A 23 1.498 -8.744 -4.744 1.00 0.00 O ATOM 328 NE2 GLN A 23 -0.131 -8.333 -6.234 1.00 0.00 N ATOM 0 H GLN A 23 1.044 -5.287 -1.241 1.00 0.00 H new ATOM 0 HA GLN A 23 0.499 -4.135 -3.912 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.254 -6.931 -2.895 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.100 -6.334 -3.835 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.291 -5.911 -5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.760 -6.141 -4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.748 -7.646 -6.666 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.176 -9.311 -6.521 1.00 0.00 H new ATOM 337 N PHE A 24 -1.820 -3.462 -3.264 1.00 0.00 N ATOM 338 CA PHE A 24 -3.073 -2.879 -2.799 1.00 0.00 C ATOM 339 C PHE A 24 -3.958 -2.480 -3.976 1.00 0.00 C ATOM 340 O PHE A 24 -3.473 -2.270 -5.089 1.00 0.00 O ATOM 341 CB PHE A 24 -2.797 -1.659 -1.918 1.00 0.00 C ATOM 342 CG PHE A 24 -1.689 -1.874 -0.926 1.00 0.00 C ATOM 343 CD1 PHE A 24 -0.365 -1.727 -1.304 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.973 -2.224 0.384 1.00 0.00 C ATOM 345 CE1 PHE A 24 0.656 -1.925 -0.394 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.956 -2.423 1.299 1.00 0.00 C ATOM 347 CZ PHE A 24 0.360 -2.272 0.910 1.00 0.00 C ATOM 0 H PHE A 24 -1.567 -3.211 -4.220 1.00 0.00 H new ATOM 0 HA PHE A 24 -3.598 -3.632 -2.211 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.545 -0.811 -2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.708 -1.395 -1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.128 -1.454 -2.322 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.001 -2.343 0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.685 -1.809 -0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.191 -2.696 2.317 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.156 -2.425 1.623 1.00 0.00 H new ATOM 357 N THR A 25 -5.259 -2.378 -3.724 1.00 0.00 N ATOM 358 CA THR A 25 -6.212 -2.007 -4.762 1.00 0.00 C ATOM 359 C THR A 25 -6.045 -0.546 -5.164 1.00 0.00 C ATOM 360 O THR A 25 -5.642 0.290 -4.355 1.00 0.00 O ATOM 361 CB THR A 25 -7.663 -2.237 -4.300 1.00 0.00 C ATOM 362 OG1 THR A 25 -7.784 -3.527 -3.690 1.00 0.00 O ATOM 363 CG2 THR A 25 -8.627 -2.132 -5.473 1.00 0.00 C ATOM 0 H THR A 25 -5.677 -2.547 -2.809 1.00 0.00 H new ATOM 0 HA THR A 25 -6.007 -2.644 -5.622 1.00 0.00 H new ATOM 0 HB THR A 25 -7.916 -1.466 -3.572 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.709 -3.665 -3.397 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.646 -2.298 -5.123 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.553 -1.139 -5.917 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.373 -2.883 -6.221 1.00 0.00 H new ATOM 371 N CYS A 26 -6.356 -0.244 -6.420 1.00 0.00 N ATOM 372 CA CYS A 26 -6.241 1.117 -6.931 1.00 0.00 C ATOM 373 C CYS A 26 -7.605 1.800 -6.972 1.00 0.00 C ATOM 374 O CYS A 26 -8.536 1.343 -7.635 1.00 0.00 O ATOM 375 CB CYS A 26 -5.621 1.108 -8.330 1.00 0.00 C ATOM 376 SG CYS A 26 -5.303 2.766 -9.013 1.00 0.00 S ATOM 0 H CYS A 26 -6.690 -0.924 -7.103 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.593 1.678 -6.257 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.683 0.555 -8.296 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.285 0.569 -9.006 1.00 0.00 H new ATOM 381 N PRO A 27 -7.727 2.922 -6.248 1.00 0.00 N ATOM 382 CA PRO A 27 -8.972 3.693 -6.185 1.00 0.00 C ATOM 383 C PRO A 27 -9.287 4.393 -7.503 1.00 0.00 C ATOM 384 O PRO A 27 -10.434 4.756 -7.765 1.00 0.00 O ATOM 385 CB PRO A 27 -8.698 4.722 -5.085 1.00 0.00 C ATOM 386 CG PRO A 27 -7.216 4.873 -5.070 1.00 0.00 C ATOM 387 CD PRO A 27 -6.658 3.525 -5.434 1.00 0.00 C ATOM 0 HA PRO A 27 -9.835 3.058 -5.987 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.191 5.671 -5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.071 4.379 -4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.894 5.633 -5.781 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.866 5.188 -4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.727 3.613 -5.995 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.441 2.927 -4.549 1.00 0.00 H new ATOM 395 N PHE A 28 -8.263 4.579 -8.329 1.00 0.00 N ATOM 396 CA PHE A 28 -8.431 5.236 -9.619 1.00 0.00 C ATOM 397 C PHE A 28 -9.209 4.347 -10.585 1.00 0.00 C ATOM 398 O PHE A 28 -10.237 4.752 -11.128 1.00 0.00 O ATOM 399 CB PHE A 28 -7.067 5.587 -10.218 1.00 0.00 C ATOM 400 CG PHE A 28 -6.409 6.766 -9.560 1.00 0.00 C ATOM 401 CD1 PHE A 28 -6.633 8.051 -10.028 1.00 0.00 C ATOM 402 CD2 PHE A 28 -5.568 6.590 -8.474 1.00 0.00 C ATOM 403 CE1 PHE A 28 -6.028 9.138 -9.425 1.00 0.00 C ATOM 404 CE2 PHE A 28 -4.960 7.673 -7.866 1.00 0.00 C ATOM 405 CZ PHE A 28 -5.192 8.948 -8.342 1.00 0.00 C ATOM 0 H PHE A 28 -7.308 4.284 -8.128 1.00 0.00 H new ATOM 0 HA PHE A 28 -8.998 6.153 -9.460 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.409 4.722 -10.136 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -7.189 5.795 -11.281 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.287 8.205 -10.873 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.385 5.595 -8.097 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.209 10.134 -9.800 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.305 7.522 -7.021 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.720 9.796 -7.868 1.00 0.00 H new ATOM 415 N CYS A 29 -8.711 3.133 -10.795 1.00 0.00 N ATOM 416 CA CYS A 29 -9.357 2.186 -11.695 1.00 0.00 C ATOM 417 C CYS A 29 -9.948 1.013 -10.918 1.00 0.00 C ATOM 418 O CYS A 29 -11.019 0.510 -11.253 1.00 0.00 O ATOM 419 CB CYS A 29 -8.356 1.672 -12.732 1.00 0.00 C ATOM 420 SG CYS A 29 -6.909 0.829 -12.016 1.00 0.00 S ATOM 0 H CYS A 29 -7.861 2.782 -10.353 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.167 2.705 -12.207 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.868 0.984 -13.405 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -8.012 2.512 -13.336 1.00 0.00 H new ATOM 425 N ASN A 30 -9.241 0.584 -9.877 1.00 0.00 N ATOM 426 CA ASN A 30 -9.695 -0.530 -9.052 1.00 0.00 C ATOM 427 C ASN A 30 -9.754 -1.820 -9.864 1.00 0.00 C ATOM 428 O ASN A 30 -10.824 -2.238 -10.308 1.00 0.00 O ATOM 429 CB ASN A 30 -11.071 -0.224 -8.458 1.00 0.00 C ATOM 430 CG ASN A 30 -11.014 0.849 -7.388 1.00 0.00 C ATOM 431 OD1 ASN A 30 -10.653 0.580 -6.242 1.00 0.00 O ATOM 432 ND2 ASN A 30 -11.370 2.074 -7.758 1.00 0.00 N ATOM 0 H ASN A 30 -8.352 0.991 -9.585 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.979 -0.665 -8.241 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.744 0.096 -9.254 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.491 -1.136 -8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.351 2.837 -7.081 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.663 2.252 -8.719 1.00 0.00 H new ATOM 439 N HIS A 31 -8.597 -2.447 -10.054 1.00 0.00 N ATOM 440 CA HIS A 31 -8.517 -3.691 -10.812 1.00 0.00 C ATOM 441 C HIS A 31 -8.121 -4.853 -9.907 1.00 0.00 C ATOM 442 O HIS A 31 -7.337 -5.717 -10.299 1.00 0.00 O ATOM 443 CB HIS A 31 -7.511 -3.552 -11.955 1.00 0.00 C ATOM 444 CG HIS A 31 -8.066 -3.938 -13.291 1.00 0.00 C ATOM 445 ND1 HIS A 31 -7.658 -5.061 -13.980 1.00 0.00 N ATOM 446 CD2 HIS A 31 -9.004 -3.344 -14.066 1.00 0.00 C ATOM 447 CE1 HIS A 31 -8.320 -5.140 -15.120 1.00 0.00 C ATOM 448 NE2 HIS A 31 -9.143 -4.110 -15.197 1.00 0.00 N ATOM 0 H HIS A 31 -7.703 -2.114 -9.694 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.502 -3.899 -11.229 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.164 -2.520 -11.999 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.641 -4.172 -11.739 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -9.543 -2.436 -13.837 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.207 -5.915 -15.863 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -9.778 -3.915 -15.971 1.00 0.00 H new ATOM 456 N GLU A 32 -8.668 -4.868 -8.696 1.00 0.00 N ATOM 457 CA GLU A 32 -8.369 -5.924 -7.736 1.00 0.00 C ATOM 458 C GLU A 32 -6.863 -6.127 -7.602 1.00 0.00 C ATOM 459 O GLU A 32 -6.272 -6.953 -8.299 1.00 0.00 O ATOM 460 CB GLU A 32 -9.036 -7.233 -8.161 1.00 0.00 C ATOM 461 CG GLU A 32 -9.561 -8.056 -6.996 1.00 0.00 C ATOM 462 CD GLU A 32 -9.719 -9.524 -7.342 1.00 0.00 C ATOM 463 OE1 GLU A 32 -10.451 -9.830 -8.306 1.00 0.00 O ATOM 464 OE2 GLU A 32 -9.110 -10.366 -6.649 1.00 0.00 O ATOM 0 H GLU A 32 -9.320 -4.161 -8.356 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.764 -5.621 -6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.861 -7.008 -8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.318 -7.831 -8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.880 -7.957 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.524 -7.656 -6.678 1.00 0.00 H new ATOM 471 N LYS A 33 -6.247 -5.369 -6.702 1.00 0.00 N ATOM 472 CA LYS A 33 -4.810 -5.465 -6.474 1.00 0.00 C ATOM 473 C LYS A 33 -4.041 -5.328 -7.785 1.00 0.00 C ATOM 474 O LYS A 33 -3.856 -6.304 -8.511 1.00 0.00 O ATOM 475 CB LYS A 33 -4.466 -6.798 -5.806 1.00 0.00 C ATOM 476 CG LYS A 33 -5.264 -7.068 -4.542 1.00 0.00 C ATOM 477 CD LYS A 33 -4.675 -6.341 -3.344 1.00 0.00 C ATOM 478 CE LYS A 33 -5.715 -6.126 -2.256 1.00 0.00 C ATOM 479 NZ LYS A 33 -5.102 -5.633 -0.992 1.00 0.00 N ATOM 0 H LYS A 33 -6.721 -4.680 -6.118 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.517 -4.649 -5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.641 -7.606 -6.516 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.403 -6.810 -5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.297 -6.752 -4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.283 -8.140 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.840 -6.916 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.275 -5.378 -3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.460 -5.409 -2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.239 -7.062 -2.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.654 -5.978 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.125 -5.983 -0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.098 -4.593 -0.991 1.00 0.00 H new ATOM 493 N SER A 34 -3.595 -4.111 -8.079 1.00 0.00 N ATOM 494 CA SER A 34 -2.848 -3.847 -9.304 1.00 0.00 C ATOM 495 C SER A 34 -1.935 -2.637 -9.132 1.00 0.00 C ATOM 496 O SER A 34 -1.843 -1.784 -10.016 1.00 0.00 O ATOM 497 CB SER A 34 -3.808 -3.614 -10.472 1.00 0.00 C ATOM 498 OG SER A 34 -4.494 -4.806 -10.813 1.00 0.00 O ATOM 0 H SER A 34 -3.737 -3.293 -7.487 1.00 0.00 H new ATOM 0 HA SER A 34 -2.231 -4.719 -9.519 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.528 -2.840 -10.207 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.253 -3.250 -11.336 1.00 0.00 H new ATOM 0 HG SER A 34 -4.261 -5.512 -10.174 1.00 0.00 H new ATOM 504 N CYS A 35 -1.261 -2.569 -7.989 1.00 0.00 N ATOM 505 CA CYS A 35 -0.355 -1.464 -7.700 1.00 0.00 C ATOM 506 C CYS A 35 0.888 -1.957 -6.966 1.00 0.00 C ATOM 507 O CYS A 35 0.815 -2.873 -6.147 1.00 0.00 O ATOM 508 CB CYS A 35 -1.067 -0.399 -6.864 1.00 0.00 C ATOM 509 SG CYS A 35 -2.122 0.710 -7.826 1.00 0.00 S ATOM 0 H CYS A 35 -1.325 -3.266 -7.247 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.044 -1.024 -8.648 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.674 -0.893 -6.106 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.319 0.194 -6.337 1.00 0.00 H new ATOM 0 HG CYS A 35 -2.506 0.109 -8.913 1.00 0.00 H new ATOM 515 N ASP A 36 2.028 -1.344 -7.266 1.00 0.00 N ATOM 516 CA ASP A 36 3.287 -1.721 -6.636 1.00 0.00 C ATOM 517 C ASP A 36 3.914 -0.530 -5.918 1.00 0.00 C ATOM 518 O ASP A 36 4.044 0.554 -6.488 1.00 0.00 O ATOM 519 CB ASP A 36 4.260 -2.272 -7.679 1.00 0.00 C ATOM 520 CG ASP A 36 5.400 -3.052 -7.054 1.00 0.00 C ATOM 521 OD1 ASP A 36 5.158 -3.755 -6.050 1.00 0.00 O ATOM 522 OD2 ASP A 36 6.534 -2.960 -7.568 1.00 0.00 O ATOM 0 H ASP A 36 2.106 -0.584 -7.942 1.00 0.00 H new ATOM 0 HA ASP A 36 3.077 -2.497 -5.900 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.719 -2.917 -8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.666 -1.447 -8.264 1.00 0.00 H new ATOM 527 N VAL A 37 4.299 -0.738 -4.663 1.00 0.00 N ATOM 528 CA VAL A 37 4.912 0.319 -3.866 1.00 0.00 C ATOM 529 C VAL A 37 6.425 0.147 -3.795 1.00 0.00 C ATOM 530 O VAL A 37 6.924 -0.892 -3.361 1.00 0.00 O ATOM 531 CB VAL A 37 4.342 0.346 -2.436 1.00 0.00 C ATOM 532 CG1 VAL A 37 4.996 1.451 -1.621 1.00 0.00 C ATOM 533 CG2 VAL A 37 2.831 0.518 -2.468 1.00 0.00 C ATOM 0 H VAL A 37 4.197 -1.628 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 37 4.679 1.263 -4.360 1.00 0.00 H new ATOM 0 HB VAL A 37 4.566 -0.607 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.580 1.455 -0.613 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.071 1.278 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.806 2.414 -2.095 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.445 0.535 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.582 1.455 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.382 -0.313 -3.012 1.00 0.00 H new ATOM 543 N LYS A 38 7.152 1.172 -4.225 1.00 0.00 N ATOM 544 CA LYS A 38 8.610 1.137 -4.210 1.00 0.00 C ATOM 545 C LYS A 38 9.159 1.876 -2.994 1.00 0.00 C ATOM 546 O LYS A 38 9.268 3.102 -2.998 1.00 0.00 O ATOM 547 CB LYS A 38 9.169 1.757 -5.492 1.00 0.00 C ATOM 548 CG LYS A 38 9.875 0.758 -6.393 1.00 0.00 C ATOM 549 CD LYS A 38 11.341 1.114 -6.579 1.00 0.00 C ATOM 550 CE LYS A 38 12.205 0.502 -5.487 1.00 0.00 C ATOM 551 NZ LYS A 38 13.604 1.009 -5.538 1.00 0.00 N ATOM 0 H LYS A 38 6.755 2.038 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 38 8.923 0.095 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.354 2.221 -6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.867 2.551 -5.227 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.794 -0.241 -5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.380 0.729 -7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.681 0.763 -7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.457 2.198 -6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.772 0.727 -4.512 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.208 -0.583 -5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.161 0.568 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.026 0.772 -6.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.604 2.041 -5.413 1.00 0.00 H new ATOM 565 N MET A 39 9.505 1.122 -1.955 1.00 0.00 N ATOM 566 CA MET A 39 10.046 1.707 -0.734 1.00 0.00 C ATOM 567 C MET A 39 11.538 1.985 -0.878 1.00 0.00 C ATOM 568 O MET A 39 12.365 1.088 -0.714 1.00 0.00 O ATOM 569 CB MET A 39 9.801 0.775 0.455 1.00 0.00 C ATOM 570 CG MET A 39 8.329 0.516 0.731 1.00 0.00 C ATOM 571 SD MET A 39 7.981 0.290 2.486 1.00 0.00 S ATOM 572 CE MET A 39 7.628 1.974 2.981 1.00 0.00 C ATOM 0 H MET A 39 9.420 0.106 -1.935 1.00 0.00 H new ATOM 0 HA MET A 39 9.535 2.653 -0.557 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.300 -0.176 0.270 1.00 0.00 H new ATOM 0 HB3 MET A 39 10.259 1.207 1.345 1.00 0.00 H new ATOM 0 HG2 MET A 39 7.740 1.351 0.352 1.00 0.00 H new ATOM 0 HG3 MET A 39 8.011 -0.372 0.184 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.378 2.307 3.698 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.649 2.623 2.105 1.00 0.00 H new ATOM 0 HE3 MET A 39 6.641 2.019 3.442 1.00 0.00 H new ATOM 582 N ASP A 40 11.876 3.232 -1.187 1.00 0.00 N ATOM 583 CA ASP A 40 13.270 3.628 -1.353 1.00 0.00 C ATOM 584 C ASP A 40 13.824 4.222 -0.062 1.00 0.00 C ATOM 585 O ASP A 40 13.500 5.354 0.300 1.00 0.00 O ATOM 586 CB ASP A 40 13.403 4.639 -2.493 1.00 0.00 C ATOM 587 CG ASP A 40 14.816 4.718 -3.035 1.00 0.00 C ATOM 588 OD1 ASP A 40 15.762 4.432 -2.271 1.00 0.00 O ATOM 589 OD2 ASP A 40 14.977 5.065 -4.224 1.00 0.00 O ATOM 0 H ASP A 40 11.204 3.986 -1.328 1.00 0.00 H new ATOM 0 HA ASP A 40 13.848 2.737 -1.599 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.723 4.365 -3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 40 13.097 5.624 -2.139 1.00 0.00 H new ATOM 594 N ARG A 41 14.658 3.452 0.628 1.00 0.00 N ATOM 595 CA ARG A 41 15.255 3.902 1.880 1.00 0.00 C ATOM 596 C ARG A 41 16.261 5.022 1.631 1.00 0.00 C ATOM 597 O ARG A 41 16.151 6.106 2.202 1.00 0.00 O ATOM 598 CB ARG A 41 15.941 2.734 2.591 1.00 0.00 C ATOM 599 CG ARG A 41 14.986 1.861 3.389 1.00 0.00 C ATOM 600 CD ARG A 41 14.240 0.886 2.491 1.00 0.00 C ATOM 601 NE ARG A 41 14.885 -0.424 2.450 1.00 0.00 N ATOM 602 CZ ARG A 41 15.771 -0.779 1.526 1.00 0.00 C ATOM 603 NH1 ARG A 41 16.115 0.074 0.571 1.00 0.00 N ATOM 604 NH2 ARG A 41 16.314 -1.989 1.556 1.00 0.00 N ATOM 0 H ARG A 41 14.936 2.513 0.342 1.00 0.00 H new ATOM 0 HA ARG A 41 14.458 4.288 2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.451 2.118 1.850 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.707 3.126 3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 41 15.543 1.308 4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 41 14.271 2.491 3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.216 0.775 2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 41 14.183 1.294 1.482 1.00 0.00 H new ATOM 0 HE ARG A 41 14.642 -1.104 3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.699 1.005 0.545 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.796 -0.201 -0.137 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.051 -2.648 2.289 1.00 0.00 H new ATOM 0 HH22 ARG A 41 16.994 -2.261 0.846 1.00 0.00 H new ATOM 618 N ALA A 42 17.241 4.750 0.776 1.00 0.00 N ATOM 619 CA ALA A 42 18.266 5.735 0.451 1.00 0.00 C ATOM 620 C ALA A 42 17.641 7.075 0.079 1.00 0.00 C ATOM 621 O ALA A 42 18.200 8.133 0.368 1.00 0.00 O ATOM 622 CB ALA A 42 19.144 5.227 -0.683 1.00 0.00 C ATOM 0 H ALA A 42 17.347 3.856 0.296 1.00 0.00 H new ATOM 0 HA ALA A 42 18.884 5.886 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 42 19.905 5.972 -0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 42 19.627 4.297 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 42 18.530 5.047 -1.566 1.00 0.00 H new ATOM 628 N ARG A 43 16.479 7.023 -0.564 1.00 0.00 N ATOM 629 CA ARG A 43 15.779 8.233 -0.978 1.00 0.00 C ATOM 630 C ARG A 43 14.694 8.604 0.029 1.00 0.00 C ATOM 631 O ARG A 43 14.064 9.655 -0.082 1.00 0.00 O ATOM 632 CB ARG A 43 15.160 8.042 -2.363 1.00 0.00 C ATOM 633 CG ARG A 43 16.098 8.398 -3.504 1.00 0.00 C ATOM 634 CD ARG A 43 15.378 8.384 -4.843 1.00 0.00 C ATOM 635 NE ARG A 43 14.858 9.702 -5.199 1.00 0.00 N ATOM 636 CZ ARG A 43 14.255 9.968 -6.352 1.00 0.00 C ATOM 637 NH1 ARG A 43 14.098 9.012 -7.257 1.00 0.00 N ATOM 638 NH2 ARG A 43 13.808 11.192 -6.603 1.00 0.00 N ATOM 0 H ARG A 43 16.002 6.155 -0.810 1.00 0.00 H new ATOM 0 HA ARG A 43 16.504 9.045 -1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.847 7.003 -2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 43 14.262 8.655 -2.438 1.00 0.00 H new ATOM 0 HG2 ARG A 43 16.526 9.385 -3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 43 16.927 7.691 -3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 43 16.063 8.043 -5.619 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.557 7.668 -4.805 1.00 0.00 H new ATOM 0 HE ARG A 43 14.964 10.460 -4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.441 8.070 -7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.635 9.219 -8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.927 11.931 -5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.345 11.394 -7.489 1.00 0.00 H new ATOM 652 N ASN A 44 14.482 7.734 1.011 1.00 0.00 N ATOM 653 CA ASN A 44 13.473 7.970 2.037 1.00 0.00 C ATOM 654 C ASN A 44 12.163 8.442 1.413 1.00 0.00 C ATOM 655 O ASN A 44 11.439 9.249 1.997 1.00 0.00 O ATOM 656 CB ASN A 44 13.973 9.007 3.045 1.00 0.00 C ATOM 657 CG ASN A 44 15.327 8.644 3.623 1.00 0.00 C ATOM 658 OD1 ASN A 44 16.356 9.174 3.204 1.00 0.00 O ATOM 659 ND2 ASN A 44 15.333 7.736 4.592 1.00 0.00 N ATOM 0 H ASN A 44 14.995 6.859 1.118 1.00 0.00 H new ATOM 0 HA ASN A 44 13.290 7.028 2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.037 9.981 2.559 1.00 0.00 H new ATOM 0 HB3 ASN A 44 13.249 9.102 3.854 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.215 7.452 5.020 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.456 7.322 4.909 1.00 0.00 H new ATOM 666 N THR A 45 11.864 7.933 0.222 1.00 0.00 N ATOM 667 CA THR A 45 10.642 8.302 -0.482 1.00 0.00 C ATOM 668 C THR A 45 9.994 7.085 -1.132 1.00 0.00 C ATOM 669 O THR A 45 10.606 6.411 -1.960 1.00 0.00 O ATOM 670 CB THR A 45 10.916 9.363 -1.564 1.00 0.00 C ATOM 671 OG1 THR A 45 11.185 10.629 -0.951 1.00 0.00 O ATOM 672 CG2 THR A 45 9.730 9.492 -2.508 1.00 0.00 C ATOM 0 H THR A 45 12.452 7.264 -0.275 1.00 0.00 H new ATOM 0 HA THR A 45 9.962 8.719 0.261 1.00 0.00 H new ATOM 0 HB THR A 45 11.786 9.047 -2.140 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.090 10.625 -0.576 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.947 10.247 -3.264 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.546 8.534 -2.995 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.846 9.787 -1.943 1.00 0.00 H new ATOM 680 N GLY A 46 8.749 6.810 -0.753 1.00 0.00 N ATOM 681 CA GLY A 46 8.038 5.674 -1.310 1.00 0.00 C ATOM 682 C GLY A 46 7.235 6.040 -2.542 1.00 0.00 C ATOM 683 O GLY A 46 6.252 6.776 -2.455 1.00 0.00 O ATOM 0 H GLY A 46 8.221 7.354 -0.071 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.753 4.892 -1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.370 5.261 -0.554 1.00 0.00 H new ATOM 687 N VAL A 47 7.655 5.528 -3.694 1.00 0.00 N ATOM 688 CA VAL A 47 6.969 5.806 -4.950 1.00 0.00 C ATOM 689 C VAL A 47 6.045 4.657 -5.337 1.00 0.00 C ATOM 690 O VAL A 47 6.490 3.523 -5.518 1.00 0.00 O ATOM 691 CB VAL A 47 7.970 6.053 -6.094 1.00 0.00 C ATOM 692 CG1 VAL A 47 7.235 6.343 -7.394 1.00 0.00 C ATOM 693 CG2 VAL A 47 8.912 7.193 -5.740 1.00 0.00 C ATOM 0 H VAL A 47 8.468 4.918 -3.784 1.00 0.00 H new ATOM 0 HA VAL A 47 6.377 6.708 -4.794 1.00 0.00 H new ATOM 0 HB VAL A 47 8.565 5.150 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.959 6.515 -8.191 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.605 5.492 -7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.614 7.230 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 47 9.613 7.354 -6.559 1.00 0.00 H new ATOM 0 HG22 VAL A 47 8.335 8.103 -5.572 1.00 0.00 H new ATOM 0 HG23 VAL A 47 9.464 6.941 -4.835 1.00 0.00 H new ATOM 703 N ILE A 48 4.757 4.957 -5.464 1.00 0.00 N ATOM 704 CA ILE A 48 3.770 3.949 -5.832 1.00 0.00 C ATOM 705 C ILE A 48 3.249 4.181 -7.246 1.00 0.00 C ATOM 706 O ILE A 48 3.381 5.274 -7.796 1.00 0.00 O ATOM 707 CB ILE A 48 2.581 3.942 -4.853 1.00 0.00 C ATOM 708 CG1 ILE A 48 1.638 2.780 -5.170 1.00 0.00 C ATOM 709 CG2 ILE A 48 1.837 5.267 -4.914 1.00 0.00 C ATOM 710 CD1 ILE A 48 0.596 2.538 -4.101 1.00 0.00 C ATOM 0 H ILE A 48 4.372 5.890 -5.317 1.00 0.00 H new ATOM 0 HA ILE A 48 4.273 2.983 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 48 2.963 3.809 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.136 2.978 -6.117 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.226 1.872 -5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.000 5.246 -4.217 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.514 6.077 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.463 5.428 -5.925 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.037 1.700 -4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.090 2.308 -3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.017 3.431 -3.982 1.00 0.00 H new ATOM 722 N SER A 49 2.653 3.145 -7.828 1.00 0.00 N ATOM 723 CA SER A 49 2.113 3.234 -9.179 1.00 0.00 C ATOM 724 C SER A 49 1.076 2.141 -9.423 1.00 0.00 C ATOM 725 O SER A 49 0.944 1.207 -8.632 1.00 0.00 O ATOM 726 CB SER A 49 3.239 3.124 -10.210 1.00 0.00 C ATOM 727 OG SER A 49 3.705 1.790 -10.315 1.00 0.00 O ATOM 0 H SER A 49 2.532 2.234 -7.385 1.00 0.00 H new ATOM 0 HA SER A 49 1.626 4.203 -9.286 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.882 3.465 -11.182 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.062 3.779 -9.925 1.00 0.00 H new ATOM 0 HG SER A 49 4.423 1.746 -10.981 1.00 0.00 H new ATOM 733 N CYS A 50 0.343 2.266 -10.524 1.00 0.00 N ATOM 734 CA CYS A 50 -0.683 1.291 -10.875 1.00 0.00 C ATOM 735 C CYS A 50 -0.280 0.499 -12.116 1.00 0.00 C ATOM 736 O CYS A 50 0.638 0.884 -12.841 1.00 0.00 O ATOM 737 CB CYS A 50 -2.021 1.992 -11.116 1.00 0.00 C ATOM 738 SG CYS A 50 -3.428 0.854 -11.332 1.00 0.00 S ATOM 0 H CYS A 50 0.440 3.033 -11.189 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.789 0.597 -10.041 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.229 2.654 -10.276 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.936 2.620 -12.003 1.00 0.00 H new ATOM 743 N THR A 51 -0.973 -0.610 -12.354 1.00 0.00 N ATOM 744 CA THR A 51 -0.688 -1.456 -13.506 1.00 0.00 C ATOM 745 C THR A 51 -1.930 -1.648 -14.368 1.00 0.00 C ATOM 746 O THR A 51 -2.166 -2.732 -14.902 1.00 0.00 O ATOM 747 CB THR A 51 -0.160 -2.837 -13.072 1.00 0.00 C ATOM 748 OG1 THR A 51 -1.255 -3.701 -12.749 1.00 0.00 O ATOM 749 CG2 THR A 51 0.763 -2.709 -11.869 1.00 0.00 C ATOM 0 H THR A 51 -1.736 -0.943 -11.764 1.00 0.00 H new ATOM 0 HA THR A 51 0.080 -0.948 -14.089 1.00 0.00 H new ATOM 0 HB THR A 51 0.405 -3.262 -13.901 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.738 -3.937 -13.568 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.124 -3.696 -11.580 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.611 -2.074 -12.127 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.217 -2.265 -11.037 1.00 0.00 H new ATOM 757 N VAL A 52 -2.722 -0.589 -14.501 1.00 0.00 N ATOM 758 CA VAL A 52 -3.940 -0.641 -15.300 1.00 0.00 C ATOM 759 C VAL A 52 -4.284 0.731 -15.868 1.00 0.00 C ATOM 760 O VAL A 52 -4.596 0.865 -17.052 1.00 0.00 O ATOM 761 CB VAL A 52 -5.134 -1.155 -14.472 1.00 0.00 C ATOM 762 CG1 VAL A 52 -6.400 -1.171 -15.315 1.00 0.00 C ATOM 763 CG2 VAL A 52 -4.837 -2.538 -13.914 1.00 0.00 C ATOM 0 H VAL A 52 -2.542 0.316 -14.065 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.750 -1.334 -16.120 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.293 -0.477 -13.634 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.233 -1.537 -14.714 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.619 -0.161 -15.662 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.257 -1.827 -16.174 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.690 -2.886 -13.332 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.652 -3.230 -14.736 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.956 -2.491 -13.274 1.00 0.00 H new ATOM 773 N CYS A 53 -4.223 1.750 -15.017 1.00 0.00 N ATOM 774 CA CYS A 53 -4.527 3.114 -15.433 1.00 0.00 C ATOM 775 C CYS A 53 -3.247 3.898 -15.703 1.00 0.00 C ATOM 776 O CYS A 53 -3.276 4.960 -16.328 1.00 0.00 O ATOM 777 CB CYS A 53 -5.356 3.823 -14.360 1.00 0.00 C ATOM 778 SG CYS A 53 -4.540 3.922 -12.734 1.00 0.00 S ATOM 0 H CYS A 53 -3.966 1.657 -14.034 1.00 0.00 H new ATOM 0 HA CYS A 53 -5.104 3.066 -16.356 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.585 4.832 -14.701 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.306 3.301 -14.246 1.00 0.00 H new ATOM 783 N LEU A 54 -2.124 3.369 -15.230 1.00 0.00 N ATOM 784 CA LEU A 54 -0.832 4.019 -15.420 1.00 0.00 C ATOM 785 C LEU A 54 -0.706 5.252 -14.532 1.00 0.00 C ATOM 786 O LEU A 54 -0.497 6.362 -15.021 1.00 0.00 O ATOM 787 CB LEU A 54 -0.648 4.412 -16.887 1.00 0.00 C ATOM 788 CG LEU A 54 -1.054 3.359 -17.920 1.00 0.00 C ATOM 789 CD1 LEU A 54 -1.180 3.987 -19.300 1.00 0.00 C ATOM 790 CD2 LEU A 54 -0.048 2.217 -17.941 1.00 0.00 C ATOM 0 H LEU A 54 -2.082 2.491 -14.712 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.052 3.311 -15.139 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.225 5.318 -17.075 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.401 4.663 -17.046 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.026 2.955 -17.637 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.469 3.224 -20.022 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.938 4.770 -19.276 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.223 4.418 -19.592 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.353 1.477 -18.681 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.937 2.605 -18.200 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.007 1.750 -16.957 1.00 0.00 H new ATOM 802 N GLU A 55 -0.833 5.049 -13.224 1.00 0.00 N ATOM 803 CA GLU A 55 -0.732 6.145 -12.268 1.00 0.00 C ATOM 804 C GLU A 55 0.553 6.039 -11.452 1.00 0.00 C ATOM 805 O GLU A 55 1.279 5.049 -11.545 1.00 0.00 O ATOM 806 CB GLU A 55 -1.944 6.149 -11.334 1.00 0.00 C ATOM 807 CG GLU A 55 -3.166 6.832 -11.924 1.00 0.00 C ATOM 808 CD GLU A 55 -2.947 8.312 -12.168 1.00 0.00 C ATOM 809 OE1 GLU A 55 -2.284 8.959 -11.330 1.00 0.00 O ATOM 810 OE2 GLU A 55 -3.438 8.824 -13.195 1.00 0.00 O ATOM 0 H GLU A 55 -1.006 4.136 -12.803 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.710 7.080 -12.827 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.200 5.120 -11.081 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.673 6.648 -10.404 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.429 6.348 -12.864 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.012 6.700 -11.250 1.00 0.00 H new ATOM 817 N GLU A 56 0.827 7.066 -10.654 1.00 0.00 N ATOM 818 CA GLU A 56 2.025 7.089 -9.823 1.00 0.00 C ATOM 819 C GLU A 56 1.949 8.207 -8.789 1.00 0.00 C ATOM 820 O GLU A 56 1.368 9.263 -9.041 1.00 0.00 O ATOM 821 CB GLU A 56 3.272 7.267 -10.692 1.00 0.00 C ATOM 822 CG GLU A 56 4.552 7.440 -9.892 1.00 0.00 C ATOM 823 CD GLU A 56 5.658 8.097 -10.695 1.00 0.00 C ATOM 824 OE1 GLU A 56 6.032 7.547 -11.751 1.00 0.00 O ATOM 825 OE2 GLU A 56 6.149 9.163 -10.266 1.00 0.00 O ATOM 0 H GLU A 56 0.236 7.893 -10.565 1.00 0.00 H new ATOM 0 HA GLU A 56 2.090 6.136 -9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.376 6.401 -11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.135 8.136 -11.335 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.344 8.041 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.892 6.465 -9.542 1.00 0.00 H new ATOM 832 N PHE A 57 2.539 7.968 -7.622 1.00 0.00 N ATOM 833 CA PHE A 57 2.537 8.954 -6.547 1.00 0.00 C ATOM 834 C PHE A 57 3.853 8.920 -5.776 1.00 0.00 C ATOM 835 O PHE A 57 4.621 7.965 -5.882 1.00 0.00 O ATOM 836 CB PHE A 57 1.367 8.698 -5.594 1.00 0.00 C ATOM 837 CG PHE A 57 1.352 9.614 -4.405 1.00 0.00 C ATOM 838 CD1 PHE A 57 1.205 10.982 -4.569 1.00 0.00 C ATOM 839 CD2 PHE A 57 1.484 9.108 -3.122 1.00 0.00 C ATOM 840 CE1 PHE A 57 1.192 11.828 -3.476 1.00 0.00 C ATOM 841 CE2 PHE A 57 1.471 9.949 -2.025 1.00 0.00 C ATOM 842 CZ PHE A 57 1.324 11.311 -2.202 1.00 0.00 C ATOM 0 H PHE A 57 3.025 7.100 -7.397 1.00 0.00 H new ATOM 0 HA PHE A 57 2.423 9.942 -6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.431 8.811 -6.142 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.411 7.666 -5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.099 11.392 -5.563 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.598 8.044 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.079 12.893 -3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.576 9.541 -1.030 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.312 11.970 -1.346 1.00 0.00 H new ATOM 852 N GLN A 58 4.105 9.970 -5.001 1.00 0.00 N ATOM 853 CA GLN A 58 5.328 10.062 -4.214 1.00 0.00 C ATOM 854 C GLN A 58 5.022 10.487 -2.781 1.00 0.00 C ATOM 855 O GLN A 58 4.081 11.241 -2.533 1.00 0.00 O ATOM 856 CB GLN A 58 6.300 11.053 -4.856 1.00 0.00 C ATOM 857 CG GLN A 58 6.621 10.736 -6.308 1.00 0.00 C ATOM 858 CD GLN A 58 7.508 11.784 -6.951 1.00 0.00 C ATOM 859 OE1 GLN A 58 7.056 12.568 -7.787 1.00 0.00 O ATOM 860 NE2 GLN A 58 8.778 11.803 -6.565 1.00 0.00 N ATOM 0 H GLN A 58 3.478 10.769 -4.902 1.00 0.00 H new ATOM 0 HA GLN A 58 5.790 9.075 -4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.876 12.055 -4.797 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.226 11.064 -4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.113 9.765 -6.364 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.692 10.656 -6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.110 11.135 -5.869 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.422 12.486 -6.964 1.00 0.00 H new ATOM 869 N THR A 59 5.824 9.998 -1.840 1.00 0.00 N ATOM 870 CA THR A 59 5.639 10.326 -0.432 1.00 0.00 C ATOM 871 C THR A 59 6.887 9.996 0.378 1.00 0.00 C ATOM 872 O THR A 59 7.588 9.019 0.113 1.00 0.00 O ATOM 873 CB THR A 59 4.437 9.572 0.167 1.00 0.00 C ATOM 874 OG1 THR A 59 4.411 9.741 1.589 1.00 0.00 O ATOM 875 CG2 THR A 59 4.505 8.090 -0.171 1.00 0.00 C ATOM 0 H THR A 59 6.608 9.373 -2.028 1.00 0.00 H new ATOM 0 HA THR A 59 5.449 11.398 -0.379 1.00 0.00 H new ATOM 0 HB THR A 59 3.526 9.986 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.643 9.260 1.962 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.646 7.578 0.263 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.495 7.963 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.423 7.666 0.236 1.00 0.00 H new ATOM 883 N PRO A 60 7.173 10.828 1.391 1.00 0.00 N ATOM 884 CA PRO A 60 8.338 10.643 2.262 1.00 0.00 C ATOM 885 C PRO A 60 8.195 9.427 3.172 1.00 0.00 C ATOM 886 O PRO A 60 7.266 9.349 3.976 1.00 0.00 O ATOM 887 CB PRO A 60 8.369 11.930 3.090 1.00 0.00 C ATOM 888 CG PRO A 60 6.959 12.412 3.094 1.00 0.00 C ATOM 889 CD PRO A 60 6.381 12.012 1.764 1.00 0.00 C ATOM 0 HA PRO A 60 9.249 10.465 1.691 1.00 0.00 H new ATOM 0 HB2 PRO A 60 8.726 11.741 4.103 1.00 0.00 H new ATOM 0 HB3 PRO A 60 9.039 12.668 2.649 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.396 11.966 3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.916 13.493 3.229 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.319 11.777 1.841 1.00 0.00 H new ATOM 0 HD3 PRO A 60 6.478 12.809 1.027 1.00 0.00 H new ATOM 897 N ILE A 61 9.119 8.483 3.038 1.00 0.00 N ATOM 898 CA ILE A 61 9.096 7.272 3.850 1.00 0.00 C ATOM 899 C ILE A 61 10.481 6.956 4.405 1.00 0.00 C ATOM 900 O ILE A 61 11.471 7.584 4.030 1.00 0.00 O ATOM 901 CB ILE A 61 8.590 6.062 3.042 1.00 0.00 C ATOM 902 CG1 ILE A 61 9.578 5.718 1.925 1.00 0.00 C ATOM 903 CG2 ILE A 61 7.211 6.349 2.467 1.00 0.00 C ATOM 904 CD1 ILE A 61 10.474 4.544 2.252 1.00 0.00 C ATOM 0 H ILE A 61 9.893 8.532 2.375 1.00 0.00 H new ATOM 0 HA ILE A 61 8.410 7.459 4.676 1.00 0.00 H new ATOM 0 HB ILE A 61 8.513 5.204 3.710 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.022 5.498 1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.197 6.591 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.867 5.485 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.513 6.551 3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.264 7.217 1.810 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.148 4.357 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.057 4.769 3.145 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.863 3.659 2.431 1.00 0.00 H new ATOM 916 N THR A 62 10.543 5.975 5.301 1.00 0.00 N ATOM 917 CA THR A 62 11.806 5.574 5.907 1.00 0.00 C ATOM 918 C THR A 62 11.873 4.062 6.088 1.00 0.00 C ATOM 919 O THR A 62 10.846 3.383 6.112 1.00 0.00 O ATOM 920 CB THR A 62 12.014 6.253 7.274 1.00 0.00 C ATOM 921 OG1 THR A 62 10.858 6.058 8.098 1.00 0.00 O ATOM 922 CG2 THR A 62 12.277 7.741 7.105 1.00 0.00 C ATOM 0 H THR A 62 9.733 5.444 5.622 1.00 0.00 H new ATOM 0 HA THR A 62 12.597 5.891 5.228 1.00 0.00 H new ATOM 0 HB THR A 62 12.882 5.799 7.752 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.998 6.491 8.966 1.00 0.00 H new ATOM 0 HG21 THR A 62 12.421 8.199 8.084 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.173 7.886 6.502 1.00 0.00 H new ATOM 0 HG23 THR A 62 11.426 8.207 6.608 1.00 0.00 H new ATOM 930 N TYR A 63 13.088 3.539 6.217 1.00 0.00 N ATOM 931 CA TYR A 63 13.289 2.106 6.394 1.00 0.00 C ATOM 932 C TYR A 63 12.158 1.495 7.217 1.00 0.00 C ATOM 933 O TYR A 63 11.653 0.418 6.897 1.00 0.00 O ATOM 934 CB TYR A 63 14.632 1.838 7.075 1.00 0.00 C ATOM 935 CG TYR A 63 15.027 2.902 8.075 1.00 0.00 C ATOM 936 CD1 TYR A 63 15.606 4.094 7.658 1.00 0.00 C ATOM 937 CD2 TYR A 63 14.822 2.714 9.436 1.00 0.00 C ATOM 938 CE1 TYR A 63 15.968 5.068 8.568 1.00 0.00 C ATOM 939 CE2 TYR A 63 15.180 3.683 10.353 1.00 0.00 C ATOM 940 CZ TYR A 63 15.753 4.858 9.914 1.00 0.00 C ATOM 941 OH TYR A 63 16.113 5.825 10.825 1.00 0.00 O ATOM 0 H TYR A 63 13.948 4.087 6.202 1.00 0.00 H new ATOM 0 HA TYR A 63 13.290 1.641 5.408 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.587 0.874 7.582 1.00 0.00 H new ATOM 0 HB3 TYR A 63 15.408 1.762 6.313 1.00 0.00 H new ATOM 0 HD1 TYR A 63 15.776 4.262 6.605 1.00 0.00 H new ATOM 0 HD2 TYR A 63 14.375 1.794 9.783 1.00 0.00 H new ATOM 0 HE1 TYR A 63 16.417 5.989 8.227 1.00 0.00 H new ATOM 0 HE2 TYR A 63 15.012 3.521 11.408 1.00 0.00 H new ATOM 0 HH TYR A 63 15.893 5.520 11.730 1.00 0.00 H new ATOM 951 N LEU A 64 11.765 2.192 8.278 1.00 0.00 N ATOM 952 CA LEU A 64 10.693 1.720 9.148 1.00 0.00 C ATOM 953 C LEU A 64 9.353 1.740 8.421 1.00 0.00 C ATOM 954 O LEU A 64 8.572 0.793 8.511 1.00 0.00 O ATOM 955 CB LEU A 64 10.616 2.583 10.408 1.00 0.00 C ATOM 956 CG LEU A 64 11.888 2.651 11.254 1.00 0.00 C ATOM 957 CD1 LEU A 64 11.846 3.853 12.185 1.00 0.00 C ATOM 958 CD2 LEU A 64 12.070 1.366 12.048 1.00 0.00 C ATOM 0 H LEU A 64 12.172 3.085 8.556 1.00 0.00 H new ATOM 0 HA LEU A 64 10.915 0.691 9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.345 3.597 10.114 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.807 2.206 11.034 1.00 0.00 H new ATOM 0 HG LEU A 64 12.741 2.765 10.585 1.00 0.00 H new ATOM 0 HD11 LEU A 64 12.759 3.885 12.779 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.764 4.767 11.596 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.985 3.770 12.848 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.980 1.432 12.644 1.00 0.00 H new ATOM 0 HD22 LEU A 64 11.214 1.221 12.707 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.146 0.522 11.362 1.00 0.00 H new ATOM 970 N SER A 65 9.093 2.825 7.698 1.00 0.00 N ATOM 971 CA SER A 65 7.846 2.970 6.957 1.00 0.00 C ATOM 972 C SER A 65 7.446 1.649 6.305 1.00 0.00 C ATOM 973 O SER A 65 8.282 0.773 6.089 1.00 0.00 O ATOM 974 CB SER A 65 7.987 4.056 5.889 1.00 0.00 C ATOM 975 OG SER A 65 8.127 5.337 6.479 1.00 0.00 O ATOM 0 H SER A 65 9.730 3.617 7.610 1.00 0.00 H new ATOM 0 HA SER A 65 7.065 3.260 7.660 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.854 3.844 5.263 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.113 4.046 5.238 1.00 0.00 H new ATOM 0 HG SER A 65 7.494 5.959 6.064 1.00 0.00 H new ATOM 981 N GLU A 66 6.160 1.516 5.996 1.00 0.00 N ATOM 982 CA GLU A 66 5.648 0.302 5.370 1.00 0.00 C ATOM 983 C GLU A 66 5.013 0.614 4.018 1.00 0.00 C ATOM 984 O GLU A 66 4.557 1.728 3.759 1.00 0.00 O ATOM 985 CB GLU A 66 4.623 -0.375 6.283 1.00 0.00 C ATOM 986 CG GLU A 66 5.213 -0.883 7.588 1.00 0.00 C ATOM 987 CD GLU A 66 4.182 -0.973 8.697 1.00 0.00 C ATOM 988 OE1 GLU A 66 3.126 -0.317 8.581 1.00 0.00 O ATOM 989 OE2 GLU A 66 4.433 -1.700 9.681 1.00 0.00 O ATOM 0 H GLU A 66 5.455 2.232 6.168 1.00 0.00 H new ATOM 0 HA GLU A 66 6.486 -0.376 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.824 0.332 6.506 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.169 -1.210 5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.653 -1.867 7.425 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.020 -0.220 7.900 1.00 0.00 H new ATOM 996 N PRO A 67 4.982 -0.394 3.133 1.00 0.00 N ATOM 997 CA PRO A 67 4.407 -0.253 1.792 1.00 0.00 C ATOM 998 C PRO A 67 2.889 -0.106 1.826 1.00 0.00 C ATOM 999 O PRO A 67 2.254 0.121 0.796 1.00 0.00 O ATOM 1000 CB PRO A 67 4.803 -1.558 1.097 1.00 0.00 C ATOM 1001 CG PRO A 67 4.984 -2.537 2.205 1.00 0.00 C ATOM 1002 CD PRO A 67 5.507 -1.748 3.373 1.00 0.00 C ATOM 0 HA PRO A 67 4.768 0.642 1.285 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.031 -1.886 0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.721 -1.437 0.521 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.041 -3.024 2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 67 5.683 -3.323 1.921 1.00 0.00 H new ATOM 0 HD2 PRO A 67 5.155 -2.153 4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 67 6.596 -1.756 3.408 1.00 0.00 H new ATOM 1010 N VAL A 68 2.312 -0.238 3.016 1.00 0.00 N ATOM 1011 CA VAL A 68 0.869 -0.119 3.184 1.00 0.00 C ATOM 1012 C VAL A 68 0.479 1.294 3.603 1.00 0.00 C ATOM 1013 O VAL A 68 -0.602 1.777 3.267 1.00 0.00 O ATOM 1014 CB VAL A 68 0.341 -1.117 4.231 1.00 0.00 C ATOM 1015 CG1 VAL A 68 1.076 -0.945 5.552 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -1.159 -0.948 4.420 1.00 0.00 C ATOM 0 H VAL A 68 2.822 -0.428 3.879 1.00 0.00 H new ATOM 0 HA VAL A 68 0.419 -0.346 2.218 1.00 0.00 H new ATOM 0 HB VAL A 68 0.527 -2.128 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.689 -1.659 6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.141 -1.122 5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.925 0.069 5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.515 -1.661 5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.371 0.066 4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.668 -1.127 3.473 1.00 0.00 H new ATOM 1026 N ASP A 69 1.368 1.953 4.340 1.00 0.00 N ATOM 1027 CA ASP A 69 1.118 3.312 4.804 1.00 0.00 C ATOM 1028 C ASP A 69 0.994 4.275 3.627 1.00 0.00 C ATOM 1029 O ASP A 69 0.111 5.132 3.603 1.00 0.00 O ATOM 1030 CB ASP A 69 2.240 3.769 5.737 1.00 0.00 C ATOM 1031 CG ASP A 69 1.717 4.276 7.067 1.00 0.00 C ATOM 1032 OD1 ASP A 69 0.817 5.141 7.060 1.00 0.00 O ATOM 1033 OD2 ASP A 69 2.209 3.807 8.116 1.00 0.00 O ATOM 0 H ASP A 69 2.267 1.568 4.628 1.00 0.00 H new ATOM 0 HA ASP A 69 0.176 3.315 5.352 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.924 2.939 5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.814 4.558 5.251 1.00 0.00 H new ATOM 1038 N VAL A 70 1.886 4.127 2.653 1.00 0.00 N ATOM 1039 CA VAL A 70 1.877 4.984 1.473 1.00 0.00 C ATOM 1040 C VAL A 70 0.503 4.995 0.812 1.00 0.00 C ATOM 1041 O VAL A 70 0.018 6.042 0.382 1.00 0.00 O ATOM 1042 CB VAL A 70 2.926 4.528 0.441 1.00 0.00 C ATOM 1043 CG1 VAL A 70 2.833 5.369 -0.823 1.00 0.00 C ATOM 1044 CG2 VAL A 70 4.324 4.599 1.036 1.00 0.00 C ATOM 0 H VAL A 70 2.624 3.422 2.657 1.00 0.00 H new ATOM 0 HA VAL A 70 2.123 5.991 1.811 1.00 0.00 H new ATOM 0 HB VAL A 70 2.721 3.491 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.582 5.032 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.840 5.263 -1.259 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.011 6.416 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.052 4.273 0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.542 5.625 1.332 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.381 3.949 1.909 1.00 0.00 H new ATOM 1054 N TYR A 71 -0.120 3.825 0.736 1.00 0.00 N ATOM 1055 CA TYR A 71 -1.439 3.699 0.127 1.00 0.00 C ATOM 1056 C TYR A 71 -2.420 4.694 0.741 1.00 0.00 C ATOM 1057 O TYR A 71 -3.013 5.512 0.038 1.00 0.00 O ATOM 1058 CB TYR A 71 -1.968 2.274 0.295 1.00 0.00 C ATOM 1059 CG TYR A 71 -3.399 2.102 -0.163 1.00 0.00 C ATOM 1060 CD1 TYR A 71 -3.791 2.484 -1.440 1.00 0.00 C ATOM 1061 CD2 TYR A 71 -4.359 1.557 0.682 1.00 0.00 C ATOM 1062 CE1 TYR A 71 -5.097 2.329 -1.862 1.00 0.00 C ATOM 1063 CE2 TYR A 71 -5.667 1.397 0.267 1.00 0.00 C ATOM 1064 CZ TYR A 71 -6.031 1.785 -1.006 1.00 0.00 C ATOM 1065 OH TYR A 71 -7.333 1.628 -1.422 1.00 0.00 O ATOM 0 H TYR A 71 0.267 2.950 1.089 1.00 0.00 H new ATOM 0 HA TYR A 71 -1.343 3.920 -0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.331 1.590 -0.266 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.894 1.989 1.345 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.062 2.909 -2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.078 1.254 1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.385 2.632 -2.858 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.400 0.971 0.935 1.00 0.00 H new ATOM 0 HH TYR A 71 -7.862 1.230 -0.699 1.00 0.00 H new ATOM 1075 N SER A 72 -2.584 4.617 2.058 1.00 0.00 N ATOM 1076 CA SER A 72 -3.494 5.508 2.768 1.00 0.00 C ATOM 1077 C SER A 72 -3.269 6.959 2.353 1.00 0.00 C ATOM 1078 O SER A 72 -4.220 7.713 2.152 1.00 0.00 O ATOM 1079 CB SER A 72 -3.308 5.363 4.279 1.00 0.00 C ATOM 1080 OG SER A 72 -4.489 4.878 4.894 1.00 0.00 O ATOM 0 H SER A 72 -2.099 3.947 2.655 1.00 0.00 H new ATOM 0 HA SER A 72 -4.514 5.228 2.506 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.482 4.682 4.483 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.040 6.328 4.710 1.00 0.00 H new ATOM 0 HG SER A 72 -4.344 4.792 5.859 1.00 0.00 H new ATOM 1086 N ASP A 73 -2.003 7.341 2.227 1.00 0.00 N ATOM 1087 CA ASP A 73 -1.650 8.701 1.836 1.00 0.00 C ATOM 1088 C ASP A 73 -2.089 8.985 0.402 1.00 0.00 C ATOM 1089 O ASP A 73 -2.640 10.046 0.111 1.00 0.00 O ATOM 1090 CB ASP A 73 -0.143 8.919 1.973 1.00 0.00 C ATOM 1091 CG ASP A 73 0.275 9.186 3.406 1.00 0.00 C ATOM 1092 OD1 ASP A 73 -0.360 8.626 4.324 1.00 0.00 O ATOM 1093 OD2 ASP A 73 1.238 9.954 3.609 1.00 0.00 O ATOM 0 H ASP A 73 -1.204 6.728 2.390 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.171 9.391 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.384 8.040 1.602 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.158 9.759 1.347 1.00 0.00 H new ATOM 1098 N TRP A 74 -1.841 8.030 -0.487 1.00 0.00 N ATOM 1099 CA TRP A 74 -2.210 8.178 -1.890 1.00 0.00 C ATOM 1100 C TRP A 74 -3.695 8.495 -2.032 1.00 0.00 C ATOM 1101 O TRP A 74 -4.098 9.233 -2.932 1.00 0.00 O ATOM 1102 CB TRP A 74 -1.871 6.904 -2.665 1.00 0.00 C ATOM 1103 CG TRP A 74 -1.942 7.077 -4.152 1.00 0.00 C ATOM 1104 CD1 TRP A 74 -1.809 8.243 -4.849 1.00 0.00 C ATOM 1105 CD2 TRP A 74 -2.166 6.050 -5.124 1.00 0.00 C ATOM 1106 NE1 TRP A 74 -1.936 8.004 -6.196 1.00 0.00 N ATOM 1107 CE2 TRP A 74 -2.155 6.665 -6.391 1.00 0.00 C ATOM 1108 CE3 TRP A 74 -2.373 4.670 -5.048 1.00 0.00 C ATOM 1109 CZ2 TRP A 74 -2.344 5.948 -7.569 1.00 0.00 C ATOM 1110 CZ3 TRP A 74 -2.561 3.959 -6.218 1.00 0.00 C ATOM 1111 CH2 TRP A 74 -2.545 4.598 -7.465 1.00 0.00 C ATOM 0 H TRP A 74 -1.386 7.145 -0.261 1.00 0.00 H new ATOM 0 HA TRP A 74 -1.639 9.009 -2.304 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -0.868 6.577 -2.392 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.557 6.112 -2.365 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.630 9.212 -4.406 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.877 8.708 -6.931 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -2.386 4.168 -4.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -2.332 6.439 -8.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -2.723 2.892 -6.170 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -2.694 4.014 -8.361 1.00 0.00 H new ATOM 1122 N ILE A 75 -4.503 7.933 -1.140 1.00 0.00 N ATOM 1123 CA ILE A 75 -5.943 8.157 -1.166 1.00 0.00 C ATOM 1124 C ILE A 75 -6.277 9.618 -0.884 1.00 0.00 C ATOM 1125 O ILE A 75 -6.967 10.270 -1.668 1.00 0.00 O ATOM 1126 CB ILE A 75 -6.670 7.268 -0.140 1.00 0.00 C ATOM 1127 CG1 ILE A 75 -6.252 5.806 -0.312 1.00 0.00 C ATOM 1128 CG2 ILE A 75 -8.177 7.414 -0.287 1.00 0.00 C ATOM 1129 CD1 ILE A 75 -6.664 5.212 -1.640 1.00 0.00 C ATOM 0 H ILE A 75 -4.185 7.319 -0.390 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.285 7.895 -2.167 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.389 7.591 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.169 5.732 -0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.689 5.215 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.677 6.780 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -8.460 8.453 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.475 7.114 -1.291 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.335 4.174 -1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.749 5.254 -1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -6.206 5.779 -2.450 1.00 0.00 H new ATOM 1141 N ASP A 76 -5.782 10.126 0.239 1.00 0.00 N ATOM 1142 CA ASP A 76 -6.026 11.511 0.624 1.00 0.00 C ATOM 1143 C ASP A 76 -5.404 12.472 -0.384 1.00 0.00 C ATOM 1144 O ASP A 76 -5.807 13.631 -0.482 1.00 0.00 O ATOM 1145 CB ASP A 76 -5.462 11.781 2.020 1.00 0.00 C ATOM 1146 CG ASP A 76 -6.546 12.107 3.029 1.00 0.00 C ATOM 1147 OD1 ASP A 76 -7.251 13.119 2.835 1.00 0.00 O ATOM 1148 OD2 ASP A 76 -6.688 11.351 4.012 1.00 0.00 O ATOM 0 H ASP A 76 -5.209 9.599 0.899 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.104 11.675 0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.905 10.908 2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.756 12.610 1.969 1.00 0.00 H new ATOM 1153 N ALA A 77 -4.419 11.983 -1.131 1.00 0.00 N ATOM 1154 CA ALA A 77 -3.742 12.798 -2.132 1.00 0.00 C ATOM 1155 C ALA A 77 -4.580 12.918 -3.400 1.00 0.00 C ATOM 1156 O ALA A 77 -4.418 13.860 -4.176 1.00 0.00 O ATOM 1157 CB ALA A 77 -2.375 12.213 -2.453 1.00 0.00 C ATOM 0 H ALA A 77 -4.072 11.026 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.608 13.798 -1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.881 12.832 -3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.769 12.186 -1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.494 11.201 -2.840 1.00 0.00 H new ATOM 1163 N CYS A 78 -5.474 11.957 -3.606 1.00 0.00 N ATOM 1164 CA CYS A 78 -6.336 11.954 -4.782 1.00 0.00 C ATOM 1165 C CYS A 78 -7.673 12.622 -4.478 1.00 0.00 C ATOM 1166 O CYS A 78 -8.115 13.509 -5.208 1.00 0.00 O ATOM 1167 CB CYS A 78 -6.567 10.522 -5.267 1.00 0.00 C ATOM 1168 SG CYS A 78 -7.338 10.411 -6.899 1.00 0.00 S ATOM 0 H CYS A 78 -5.621 11.170 -2.974 1.00 0.00 H new ATOM 0 HA CYS A 78 -5.838 12.521 -5.568 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -5.611 10.000 -5.292 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -7.195 10.002 -4.544 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.492 9.902 -7.745 1.00 0.00 H new ATOM 1174 N GLU A 79 -8.313 12.189 -3.396 1.00 0.00 N ATOM 1175 CA GLU A 79 -9.601 12.745 -2.998 1.00 0.00 C ATOM 1176 C GLU A 79 -9.490 14.244 -2.737 1.00 0.00 C ATOM 1177 O GLU A 79 -10.497 14.946 -2.650 1.00 0.00 O ATOM 1178 CB GLU A 79 -10.122 12.035 -1.746 1.00 0.00 C ATOM 1179 CG GLU A 79 -9.252 12.249 -0.519 1.00 0.00 C ATOM 1180 CD GLU A 79 -10.004 12.904 0.623 1.00 0.00 C ATOM 1181 OE1 GLU A 79 -10.617 12.173 1.428 1.00 0.00 O ATOM 1182 OE2 GLU A 79 -9.979 14.150 0.711 1.00 0.00 O ATOM 0 H GLU A 79 -7.961 11.456 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 79 -10.304 12.588 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.131 12.388 -1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.194 10.966 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.858 11.289 -0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.397 12.869 -0.788 1.00 0.00 H new ATOM 1189 N SER A 80 -8.258 14.727 -2.612 1.00 0.00 N ATOM 1190 CA SER A 80 -8.014 16.142 -2.356 1.00 0.00 C ATOM 1191 C SER A 80 -6.791 16.630 -3.127 1.00 0.00 C ATOM 1192 O SER A 80 -5.713 16.043 -3.040 1.00 0.00 O ATOM 1193 CB SER A 80 -7.818 16.385 -0.859 1.00 0.00 C ATOM 1194 OG SER A 80 -8.353 17.639 -0.471 1.00 0.00 O ATOM 0 H SER A 80 -7.413 14.160 -2.684 1.00 0.00 H new ATOM 0 HA SER A 80 -8.884 16.703 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.301 15.589 -0.292 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.756 16.349 -0.618 1.00 0.00 H new ATOM 0 HG SER A 80 -8.216 17.769 0.491 1.00 0.00 H new ATOM 1200 N GLY A 81 -6.966 17.710 -3.882 1.00 0.00 N ATOM 1201 CA GLY A 81 -5.870 18.260 -4.657 1.00 0.00 C ATOM 1202 C GLY A 81 -6.346 18.991 -5.897 1.00 0.00 C ATOM 1203 O GLY A 81 -7.465 18.792 -6.370 1.00 0.00 O ATOM 0 H GLY A 81 -7.848 18.214 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.296 18.945 -4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.196 17.455 -4.950 1.00 0.00 H new ATOM 1207 N PRO A 82 -5.483 19.860 -6.444 1.00 0.00 N ATOM 1208 CA PRO A 82 -5.800 20.642 -7.643 1.00 0.00 C ATOM 1209 C PRO A 82 -5.873 19.776 -8.896 1.00 0.00 C ATOM 1210 O PRO A 82 -5.382 18.648 -8.912 1.00 0.00 O ATOM 1211 CB PRO A 82 -4.634 21.629 -7.742 1.00 0.00 C ATOM 1212 CG PRO A 82 -3.507 20.955 -7.037 1.00 0.00 C ATOM 1213 CD PRO A 82 -4.132 20.148 -5.933 1.00 0.00 C ATOM 0 HA PRO A 82 -6.776 21.121 -7.571 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.381 21.840 -8.781 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.881 22.582 -7.274 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.947 20.315 -7.719 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.805 21.686 -6.636 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.573 19.233 -5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.167 20.706 -4.997 1.00 0.00 H new ATOM 1221 N SER A 83 -6.489 20.312 -9.945 1.00 0.00 N ATOM 1222 CA SER A 83 -6.629 19.587 -11.202 1.00 0.00 C ATOM 1223 C SER A 83 -7.082 20.521 -12.320 1.00 0.00 C ATOM 1224 O SER A 83 -7.137 21.738 -12.144 1.00 0.00 O ATOM 1225 CB SER A 83 -7.629 18.439 -11.045 1.00 0.00 C ATOM 1226 OG SER A 83 -7.353 17.394 -11.961 1.00 0.00 O ATOM 0 H SER A 83 -6.899 21.246 -9.949 1.00 0.00 H new ATOM 0 HA SER A 83 -5.654 19.177 -11.467 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.588 18.054 -10.026 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.641 18.810 -11.206 1.00 0.00 H new ATOM 0 HG SER A 83 -8.004 16.672 -11.840 1.00 0.00 H new ATOM 1232 N SER A 84 -7.405 19.941 -13.472 1.00 0.00 N ATOM 1233 CA SER A 84 -7.850 20.721 -14.622 1.00 0.00 C ATOM 1234 C SER A 84 -9.094 20.100 -15.251 1.00 0.00 C ATOM 1235 O SER A 84 -10.155 20.721 -15.297 1.00 0.00 O ATOM 1236 CB SER A 84 -6.732 20.817 -15.662 1.00 0.00 C ATOM 1237 OG SER A 84 -7.120 21.634 -16.753 1.00 0.00 O ATOM 0 H SER A 84 -7.367 18.935 -13.634 1.00 0.00 H new ATOM 0 HA SER A 84 -8.102 21.723 -14.276 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.834 21.226 -15.199 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.479 19.820 -16.022 1.00 0.00 H new ATOM 0 HG SER A 84 -6.388 21.681 -17.403 1.00 0.00 H new ATOM 1243 N GLY A 85 -8.953 18.870 -15.734 1.00 0.00 N ATOM 1244 CA GLY A 85 -10.072 18.185 -16.355 1.00 0.00 C ATOM 1245 C GLY A 85 -9.629 17.163 -17.382 1.00 0.00 C ATOM 1246 O GLY A 85 -8.427 16.965 -17.550 1.00 0.00 O ATOM 0 H GLY A 85 -8.085 18.336 -15.707 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -10.663 17.689 -15.585 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.722 18.918 -16.833 1.00 0.00 H new TER 1250 GLY A 85 HETATM 1251 ZN ZN A 201 -5.256 2.302 -11.312 1.00 0.00 ZN