USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 27 HIS HE2 : A 27 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD NoAdj-H: A 87 HIS HE2 : A 87 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD Set 1.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0357 (180deg=0) USER MOD Single : A 2 SER OG : rot 40:sc= 1.05 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 53:sc= 1.31 USER MOD Single : A 9 HIS :FLIP no HD1:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 150:sc= -0.298 (180deg=-1.34!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -170:sc= 0 (180deg=-0.129) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= -0.083 (180deg=-0.514) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 58:sc= 0.6 USER MOD Single : A 50 SER OG : rot 180:sc= -0.136 USER MOD Single : A 53 ASN : amide:sc=-0.00758 K(o=-0.0076,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= -0.0226 (180deg=-0.31) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 63:sc= 1.32 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 77 SER OG : rot 180:sc= -0.146 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0592 USER MOD Single : A 79 GLN : amide:sc= -0.0552 K(o=-0.055,f=-0.73) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 56:sc= 0.505 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= -0.0127 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.495 22.056 -16.350 1.00 0.00 N ATOM 2 CA GLY A 1 -4.444 21.202 -16.872 1.00 0.00 C ATOM 3 C GLY A 1 -3.755 20.400 -15.786 1.00 0.00 C ATOM 4 O GLY A 1 -3.705 20.822 -14.630 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.420 21.700 -16.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.459 22.055 -15.311 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.360 23.026 -16.700 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.867 20.520 -17.610 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.706 21.815 -17.390 1.00 0.00 H new ATOM 8 N SER A 2 -3.224 19.239 -16.155 1.00 0.00 N ATOM 9 CA SER A 2 -2.540 18.373 -15.202 1.00 0.00 C ATOM 10 C SER A 2 -1.755 17.283 -15.925 1.00 0.00 C ATOM 11 O SER A 2 -1.900 17.095 -17.133 1.00 0.00 O ATOM 12 CB SER A 2 -3.549 17.739 -14.242 1.00 0.00 C ATOM 13 OG SER A 2 -3.746 18.554 -13.099 1.00 0.00 O ATOM 0 H SER A 2 -3.254 18.876 -17.108 1.00 0.00 H new ATOM 0 HA SER A 2 -1.840 18.983 -14.631 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.499 17.590 -14.754 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.195 16.755 -13.935 1.00 0.00 H new ATOM 0 HG SER A 2 -3.773 19.496 -13.369 1.00 0.00 H new ATOM 19 N SER A 3 -0.922 16.567 -15.176 1.00 0.00 N ATOM 20 CA SER A 3 -0.110 15.498 -15.745 1.00 0.00 C ATOM 21 C SER A 3 0.382 14.551 -14.655 1.00 0.00 C ATOM 22 O SER A 3 0.395 14.898 -13.475 1.00 0.00 O ATOM 23 CB SER A 3 1.082 16.083 -16.505 1.00 0.00 C ATOM 24 OG SER A 3 1.484 15.227 -17.560 1.00 0.00 O ATOM 0 H SER A 3 -0.792 16.708 -14.174 1.00 0.00 H new ATOM 0 HA SER A 3 -0.732 14.933 -16.439 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.817 17.061 -16.907 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.915 16.236 -15.819 1.00 0.00 H new ATOM 0 HG SER A 3 2.246 15.624 -18.031 1.00 0.00 H new ATOM 30 N GLY A 4 0.787 13.351 -15.060 1.00 0.00 N ATOM 31 CA GLY A 4 1.275 12.372 -14.107 1.00 0.00 C ATOM 32 C GLY A 4 2.178 11.337 -14.749 1.00 0.00 C ATOM 33 O GLY A 4 2.165 11.163 -15.967 1.00 0.00 O ATOM 0 H GLY A 4 0.786 13.040 -16.031 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.820 12.883 -13.313 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.427 11.870 -13.640 1.00 0.00 H new ATOM 37 N SER A 5 2.966 10.650 -13.928 1.00 0.00 N ATOM 38 CA SER A 5 3.883 9.631 -14.423 1.00 0.00 C ATOM 39 C SER A 5 4.310 8.691 -13.300 1.00 0.00 C ATOM 40 O SER A 5 4.001 8.923 -12.131 1.00 0.00 O ATOM 41 CB SER A 5 5.116 10.286 -15.050 1.00 0.00 C ATOM 42 OG SER A 5 5.859 11.006 -14.082 1.00 0.00 O ATOM 0 H SER A 5 2.987 10.781 -12.917 1.00 0.00 H new ATOM 0 HA SER A 5 3.362 9.048 -15.183 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.747 9.521 -15.503 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.807 10.959 -15.850 1.00 0.00 H new ATOM 0 HG SER A 5 6.642 11.413 -14.507 1.00 0.00 H new ATOM 48 N SER A 6 5.021 7.629 -13.663 1.00 0.00 N ATOM 49 CA SER A 6 5.487 6.650 -12.688 1.00 0.00 C ATOM 50 C SER A 6 6.494 5.693 -13.317 1.00 0.00 C ATOM 51 O SER A 6 6.430 5.403 -14.511 1.00 0.00 O ATOM 52 CB SER A 6 4.305 5.863 -12.118 1.00 0.00 C ATOM 53 OG SER A 6 3.697 6.562 -11.046 1.00 0.00 O ATOM 0 H SER A 6 5.287 7.424 -14.626 1.00 0.00 H new ATOM 0 HA SER A 6 5.980 7.188 -11.878 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.570 5.684 -12.903 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.646 4.887 -11.773 1.00 0.00 H new ATOM 0 HG SER A 6 3.481 7.474 -11.331 1.00 0.00 H new ATOM 59 N GLY A 7 7.425 5.204 -12.503 1.00 0.00 N ATOM 60 CA GLY A 7 8.433 4.284 -12.997 1.00 0.00 C ATOM 61 C GLY A 7 8.496 3.003 -12.189 1.00 0.00 C ATOM 62 O GLY A 7 9.412 2.790 -11.394 1.00 0.00 O ATOM 0 H GLY A 7 7.499 5.429 -11.511 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.221 4.043 -14.039 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.407 4.772 -12.975 1.00 0.00 H new ATOM 66 N PRO A 8 7.502 2.125 -12.386 1.00 0.00 N ATOM 67 CA PRO A 8 7.424 0.844 -11.678 1.00 0.00 C ATOM 68 C PRO A 8 8.507 -0.132 -12.124 1.00 0.00 C ATOM 69 O PRO A 8 9.199 0.104 -13.115 1.00 0.00 O ATOM 70 CB PRO A 8 6.038 0.314 -12.054 1.00 0.00 C ATOM 71 CG PRO A 8 5.728 0.958 -13.360 1.00 0.00 C ATOM 72 CD PRO A 8 6.377 2.314 -13.318 1.00 0.00 C ATOM 0 HA PRO A 8 7.573 0.962 -10.605 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.039 -0.773 -12.139 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.296 0.574 -11.299 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.115 0.366 -14.189 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.651 1.045 -13.506 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.720 2.626 -14.304 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.686 3.079 -12.964 1.00 0.00 H new ATOM 80 N HIS A 9 8.649 -1.229 -11.387 1.00 0.00 N ATOM 81 CA HIS A 9 9.648 -2.242 -11.708 1.00 0.00 C ATOM 82 C HIS A 9 8.987 -3.587 -11.991 1.00 0.00 C ATOM 83 O HIS A 9 7.967 -3.928 -11.391 1.00 0.00 O ATOM 84 CB HIS A 9 10.649 -2.384 -10.561 1.00 0.00 C ATOM 85 CG HIS A 9 11.639 -1.262 -10.488 1.00 0.00 C ATOM 86 ND1 HIS A 9 11.553 0.023 -10.903 1.00 0.00 N flip ATOM 87 CD2 HIS A 9 12.895 -1.402 -9.936 1.00 0.00 C flip ATOM 88 CE1 HIS A 9 12.746 0.631 -10.596 1.00 0.00 C flip ATOM 89 NE2 HIS A 9 13.538 -0.251 -10.013 1.00 0.00 N flip ATOM 0 H HIS A 9 8.085 -1.439 -10.564 1.00 0.00 H new ATOM 0 HA HIS A 9 10.178 -1.922 -12.605 1.00 0.00 H new ATOM 0 HB2 HIS A 9 10.104 -2.439 -9.619 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.187 -3.325 -10.673 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.291 -2.311 -9.508 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.996 1.662 -10.798 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.485 -0.073 -9.679 1.00 0.00 H new ATOM 97 N LYS A 10 9.573 -4.348 -12.909 1.00 0.00 N ATOM 98 CA LYS A 10 9.041 -5.656 -13.272 1.00 0.00 C ATOM 99 C LYS A 10 9.955 -6.772 -12.774 1.00 0.00 C ATOM 100 O LYS A 10 11.177 -6.691 -12.900 1.00 0.00 O ATOM 101 CB LYS A 10 8.875 -5.759 -14.790 1.00 0.00 C ATOM 102 CG LYS A 10 10.089 -6.336 -15.498 1.00 0.00 C ATOM 103 CD LYS A 10 9.970 -6.203 -17.007 1.00 0.00 C ATOM 104 CE LYS A 10 9.193 -7.363 -17.609 1.00 0.00 C ATOM 105 NZ LYS A 10 8.923 -7.157 -19.059 1.00 0.00 N ATOM 0 H LYS A 10 10.417 -4.081 -13.416 1.00 0.00 H new ATOM 0 HA LYS A 10 8.066 -5.768 -12.797 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.007 -6.380 -15.011 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.668 -4.767 -15.192 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.988 -5.823 -15.156 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.201 -7.387 -15.232 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.473 -5.264 -17.253 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.965 -6.162 -17.449 1.00 0.00 H new ATOM 0 HE2 LYS A 10 9.755 -8.287 -17.472 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.249 -7.483 -17.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.392 -7.969 -19.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.365 -6.289 -19.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.824 -7.068 -19.571 1.00 0.00 H new ATOM 119 N CYS A 11 9.354 -7.814 -12.208 1.00 0.00 N ATOM 120 CA CYS A 11 10.113 -8.947 -11.692 1.00 0.00 C ATOM 121 C CYS A 11 10.700 -9.773 -12.832 1.00 0.00 C ATOM 122 O CYS A 11 10.330 -9.599 -13.992 1.00 0.00 O ATOM 123 CB CYS A 11 9.220 -9.828 -10.816 1.00 0.00 C ATOM 124 SG CYS A 11 10.106 -10.677 -9.469 1.00 0.00 S ATOM 0 H CYS A 11 8.344 -7.897 -12.095 1.00 0.00 H new ATOM 0 HA CYS A 11 10.934 -8.559 -11.089 1.00 0.00 H new ATOM 0 HB2 CYS A 11 8.430 -9.212 -10.386 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.735 -10.575 -11.445 1.00 0.00 H new ATOM 129 N GLU A 12 11.618 -10.673 -12.492 1.00 0.00 N ATOM 130 CA GLU A 12 12.257 -11.525 -13.487 1.00 0.00 C ATOM 131 C GLU A 12 12.015 -13.000 -13.177 1.00 0.00 C ATOM 132 O GLU A 12 11.687 -13.787 -14.064 1.00 0.00 O ATOM 133 CB GLU A 12 13.760 -11.244 -13.542 1.00 0.00 C ATOM 134 CG GLU A 12 14.466 -11.441 -12.211 1.00 0.00 C ATOM 135 CD GLU A 12 14.068 -10.401 -11.181 1.00 0.00 C ATOM 136 OE1 GLU A 12 14.184 -9.194 -11.480 1.00 0.00 O ATOM 137 OE2 GLU A 12 13.640 -10.795 -10.076 1.00 0.00 O ATOM 0 H GLU A 12 11.935 -10.830 -11.535 1.00 0.00 H new ATOM 0 HA GLU A 12 11.817 -11.299 -14.458 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.216 -11.898 -14.286 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.917 -10.219 -13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.237 -12.435 -11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.544 -11.400 -12.366 1.00 0.00 H new ATOM 144 N VAL A 13 12.181 -13.366 -11.910 1.00 0.00 N ATOM 145 CA VAL A 13 11.980 -14.745 -11.480 1.00 0.00 C ATOM 146 C VAL A 13 10.601 -15.252 -11.887 1.00 0.00 C ATOM 147 O VAL A 13 10.460 -16.371 -12.381 1.00 0.00 O ATOM 148 CB VAL A 13 12.137 -14.887 -9.955 1.00 0.00 C ATOM 149 CG1 VAL A 13 13.594 -14.716 -9.550 1.00 0.00 C ATOM 150 CG2 VAL A 13 11.253 -13.881 -9.233 1.00 0.00 C ATOM 0 H VAL A 13 12.454 -12.727 -11.163 1.00 0.00 H new ATOM 0 HA VAL A 13 12.745 -15.344 -11.973 1.00 0.00 H new ATOM 0 HB VAL A 13 11.820 -15.889 -9.666 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.686 -14.820 -8.469 1.00 0.00 H new ATOM 0 HG12 VAL A 13 14.200 -15.478 -10.040 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.942 -13.728 -9.851 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.376 -13.995 -8.156 1.00 0.00 H new ATOM 0 HG22 VAL A 13 11.538 -12.870 -9.526 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.211 -14.056 -9.499 1.00 0.00 H new ATOM 160 N CYS A 14 9.585 -14.421 -11.677 1.00 0.00 N ATOM 161 CA CYS A 14 8.216 -14.784 -12.021 1.00 0.00 C ATOM 162 C CYS A 14 7.736 -14.000 -13.239 1.00 0.00 C ATOM 163 O CYS A 14 6.987 -14.517 -14.068 1.00 0.00 O ATOM 164 CB CYS A 14 7.284 -14.527 -10.835 1.00 0.00 C ATOM 165 SG CYS A 14 7.224 -12.786 -10.301 1.00 0.00 S ATOM 0 H CYS A 14 9.685 -13.491 -11.270 1.00 0.00 H new ATOM 0 HA CYS A 14 8.198 -15.846 -12.264 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.277 -14.849 -11.101 1.00 0.00 H new ATOM 0 HB3 CYS A 14 7.604 -15.143 -9.995 1.00 0.00 H new ATOM 170 N GLY A 15 8.172 -12.748 -13.340 1.00 0.00 N ATOM 171 CA GLY A 15 7.777 -11.913 -14.459 1.00 0.00 C ATOM 172 C GLY A 15 6.483 -11.168 -14.198 1.00 0.00 C ATOM 173 O GLY A 15 5.604 -11.112 -15.058 1.00 0.00 O ATOM 0 H GLY A 15 8.792 -12.297 -12.667 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.570 -11.195 -14.670 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.663 -12.533 -15.348 1.00 0.00 H new ATOM 177 N LYS A 16 6.363 -10.594 -13.005 1.00 0.00 N ATOM 178 CA LYS A 16 5.167 -9.848 -12.631 1.00 0.00 C ATOM 179 C LYS A 16 5.425 -8.346 -12.682 1.00 0.00 C ATOM 180 O LYS A 16 6.575 -7.904 -12.709 1.00 0.00 O ATOM 181 CB LYS A 16 4.709 -10.251 -11.228 1.00 0.00 C ATOM 182 CG LYS A 16 3.693 -11.380 -11.220 1.00 0.00 C ATOM 183 CD LYS A 16 4.322 -12.698 -11.638 1.00 0.00 C ATOM 184 CE LYS A 16 3.316 -13.599 -12.338 1.00 0.00 C ATOM 185 NZ LYS A 16 3.250 -13.326 -13.800 1.00 0.00 N ATOM 0 H LYS A 16 7.080 -10.631 -12.280 1.00 0.00 H new ATOM 0 HA LYS A 16 4.380 -10.088 -13.346 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.579 -10.552 -10.644 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.277 -9.382 -10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.266 -11.480 -10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.872 -11.137 -11.895 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.164 -12.506 -12.303 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.719 -13.207 -10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.588 -14.642 -12.175 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.330 -13.454 -11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.553 -13.960 -14.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.966 -12.338 -13.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.185 -13.489 -14.226 1.00 0.00 H new ATOM 199 N CYS A 17 4.350 -7.566 -12.693 1.00 0.00 N ATOM 200 CA CYS A 17 4.460 -6.112 -12.740 1.00 0.00 C ATOM 201 C CYS A 17 3.765 -5.475 -11.541 1.00 0.00 C ATOM 202 O CYS A 17 2.803 -6.024 -11.004 1.00 0.00 O ATOM 203 CB CYS A 17 3.857 -5.575 -14.038 1.00 0.00 C ATOM 204 SG CYS A 17 2.115 -5.998 -14.273 1.00 0.00 S ATOM 0 H CYS A 17 3.392 -7.916 -12.670 1.00 0.00 H new ATOM 0 HA CYS A 17 5.518 -5.852 -12.705 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.962 -4.490 -14.053 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.431 -5.962 -14.880 1.00 0.00 H new ATOM 0 HG CYS A 17 1.695 -5.498 -15.397 1.00 0.00 H new ATOM 210 N PHE A 18 4.261 -4.315 -11.124 1.00 0.00 N ATOM 211 CA PHE A 18 3.689 -3.604 -9.986 1.00 0.00 C ATOM 212 C PHE A 18 3.622 -2.104 -10.259 1.00 0.00 C ATOM 213 O PHE A 18 4.160 -1.619 -11.254 1.00 0.00 O ATOM 214 CB PHE A 18 4.516 -3.868 -8.725 1.00 0.00 C ATOM 215 CG PHE A 18 4.513 -5.308 -8.297 1.00 0.00 C ATOM 216 CD1 PHE A 18 3.474 -5.816 -7.535 1.00 0.00 C ATOM 217 CD2 PHE A 18 5.550 -6.153 -8.658 1.00 0.00 C ATOM 218 CE1 PHE A 18 3.469 -7.140 -7.139 1.00 0.00 C ATOM 219 CE2 PHE A 18 5.551 -7.479 -8.266 1.00 0.00 C ATOM 220 CZ PHE A 18 4.509 -7.973 -7.506 1.00 0.00 C ATOM 0 H PHE A 18 5.057 -3.847 -11.557 1.00 0.00 H new ATOM 0 HA PHE A 18 2.675 -3.973 -9.831 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.544 -3.552 -8.902 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.129 -3.255 -7.911 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.658 -5.170 -7.247 1.00 0.00 H new ATOM 0 HD2 PHE A 18 6.367 -5.772 -9.252 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.654 -7.523 -6.544 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.365 -8.127 -8.554 1.00 0.00 H new ATOM 0 HZ PHE A 18 4.507 -9.008 -7.199 1.00 0.00 H new ATOM 230 N SER A 19 2.958 -1.376 -9.368 1.00 0.00 N ATOM 231 CA SER A 19 2.816 0.068 -9.514 1.00 0.00 C ATOM 232 C SER A 19 3.876 0.803 -8.699 1.00 0.00 C ATOM 233 O SER A 19 4.571 1.680 -9.212 1.00 0.00 O ATOM 234 CB SER A 19 1.420 0.512 -9.074 1.00 0.00 C ATOM 235 OG SER A 19 0.426 0.015 -9.953 1.00 0.00 O ATOM 0 H SER A 19 2.510 -1.762 -8.537 1.00 0.00 H new ATOM 0 HA SER A 19 2.954 0.317 -10.566 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.225 0.158 -8.062 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.373 1.601 -9.046 1.00 0.00 H new ATOM 0 HG SER A 19 -0.457 0.311 -9.649 1.00 0.00 H new ATOM 241 N ARG A 20 3.993 0.439 -7.426 1.00 0.00 N ATOM 242 CA ARG A 20 4.966 1.064 -6.539 1.00 0.00 C ATOM 243 C ARG A 20 6.300 0.325 -6.588 1.00 0.00 C ATOM 244 O ARG A 20 6.370 -0.872 -6.309 1.00 0.00 O ATOM 245 CB ARG A 20 4.438 1.089 -5.104 1.00 0.00 C ATOM 246 CG ARG A 20 3.144 1.871 -4.945 1.00 0.00 C ATOM 247 CD ARG A 20 2.651 1.846 -3.506 1.00 0.00 C ATOM 248 NE ARG A 20 1.800 2.992 -3.199 1.00 0.00 N ATOM 249 CZ ARG A 20 1.528 3.395 -1.963 1.00 0.00 C ATOM 250 NH1 ARG A 20 2.039 2.749 -0.924 1.00 0.00 N ATOM 251 NH2 ARG A 20 0.745 4.448 -1.764 1.00 0.00 N ATOM 0 H ARG A 20 3.426 -0.286 -6.986 1.00 0.00 H new ATOM 0 HA ARG A 20 5.124 2.088 -6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.278 0.065 -4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.197 1.523 -4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.300 2.903 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.381 1.450 -5.600 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.096 0.925 -3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.506 1.838 -2.830 1.00 0.00 H new ATOM 0 HE ARG A 20 1.392 3.512 -3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.643 1.940 -1.073 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.828 3.061 0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.351 4.949 -2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.537 4.757 -0.814 1.00 0.00 H new ATOM 265 N LYS A 21 7.357 1.046 -6.946 1.00 0.00 N ATOM 266 CA LYS A 21 8.690 0.460 -7.032 1.00 0.00 C ATOM 267 C LYS A 21 9.094 -0.170 -5.702 1.00 0.00 C ATOM 268 O LYS A 21 10.069 -0.918 -5.630 1.00 0.00 O ATOM 269 CB LYS A 21 9.713 1.525 -7.435 1.00 0.00 C ATOM 270 CG LYS A 21 9.975 2.557 -6.352 1.00 0.00 C ATOM 271 CD LYS A 21 9.036 3.745 -6.474 1.00 0.00 C ATOM 272 CE LYS A 21 9.574 4.959 -5.732 1.00 0.00 C ATOM 273 NZ LYS A 21 9.106 4.996 -4.318 1.00 0.00 N ATOM 0 H LYS A 21 7.317 2.038 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 21 8.668 -0.320 -7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.652 1.035 -7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.361 2.034 -8.332 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.854 2.096 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.008 2.900 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.896 3.993 -7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.057 3.479 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.664 4.945 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.257 5.868 -6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.494 5.838 -3.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.067 5.035 -4.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.430 4.141 -3.823 1.00 0.00 H new ATOM 287 N ASP A 22 8.338 0.135 -4.654 1.00 0.00 N ATOM 288 CA ASP A 22 8.615 -0.403 -3.328 1.00 0.00 C ATOM 289 C ASP A 22 8.042 -1.809 -3.181 1.00 0.00 C ATOM 290 O ASP A 22 8.707 -2.714 -2.676 1.00 0.00 O ATOM 291 CB ASP A 22 8.035 0.513 -2.250 1.00 0.00 C ATOM 292 CG ASP A 22 7.795 -0.213 -0.941 1.00 0.00 C ATOM 293 OD1 ASP A 22 6.712 -0.815 -0.787 1.00 0.00 O ATOM 294 OD2 ASP A 22 8.689 -0.177 -0.069 1.00 0.00 O ATOM 0 H ASP A 22 7.528 0.753 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 22 9.697 -0.456 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.717 1.346 -2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.095 0.937 -2.605 1.00 0.00 H new ATOM 299 N LYS A 23 6.802 -1.986 -3.625 1.00 0.00 N ATOM 300 CA LYS A 23 6.137 -3.281 -3.544 1.00 0.00 C ATOM 301 C LYS A 23 7.116 -4.414 -3.832 1.00 0.00 C ATOM 302 O LYS A 23 7.131 -5.428 -3.132 1.00 0.00 O ATOM 303 CB LYS A 23 4.968 -3.340 -4.530 1.00 0.00 C ATOM 304 CG LYS A 23 3.706 -2.666 -4.019 1.00 0.00 C ATOM 305 CD LYS A 23 2.817 -3.643 -3.269 1.00 0.00 C ATOM 306 CE LYS A 23 3.120 -3.644 -1.779 1.00 0.00 C ATOM 307 NZ LYS A 23 3.067 -2.272 -1.202 1.00 0.00 N ATOM 0 H LYS A 23 6.237 -1.248 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 23 5.756 -3.403 -2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.269 -2.868 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.747 -4.383 -4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.975 -1.839 -3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.154 -2.241 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.771 -3.380 -3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.958 -4.646 -3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.403 -4.283 -1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.108 -4.072 -1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.772 -2.325 -0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.008 -1.834 -1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.383 -1.697 -1.735 1.00 0.00 H new ATOM 321 N LEU A 24 7.934 -4.236 -4.863 1.00 0.00 N ATOM 322 CA LEU A 24 8.918 -5.243 -5.243 1.00 0.00 C ATOM 323 C LEU A 24 9.815 -5.600 -4.062 1.00 0.00 C ATOM 324 O LEU A 24 9.974 -6.772 -3.720 1.00 0.00 O ATOM 325 CB LEU A 24 9.769 -4.739 -6.410 1.00 0.00 C ATOM 326 CG LEU A 24 10.887 -5.672 -6.878 1.00 0.00 C ATOM 327 CD1 LEU A 24 10.358 -6.669 -7.898 1.00 0.00 C ATOM 328 CD2 LEU A 24 12.041 -4.870 -7.461 1.00 0.00 C ATOM 0 H LEU A 24 7.935 -3.403 -5.451 1.00 0.00 H new ATOM 0 HA LEU A 24 8.382 -6.140 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.110 -4.542 -7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.214 -3.786 -6.124 1.00 0.00 H new ATOM 0 HG LEU A 24 11.256 -6.227 -6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.167 -7.324 -8.220 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.565 -7.266 -7.446 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.962 -6.132 -8.760 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.827 -5.550 -7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.686 -4.288 -8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.437 -4.197 -6.701 1.00 0.00 H new ATOM 340 N LYS A 25 10.398 -4.581 -3.439 1.00 0.00 N ATOM 341 CA LYS A 25 11.277 -4.785 -2.294 1.00 0.00 C ATOM 342 C LYS A 25 10.816 -5.977 -1.460 1.00 0.00 C ATOM 343 O LYS A 25 11.613 -6.849 -1.112 1.00 0.00 O ATOM 344 CB LYS A 25 11.316 -3.526 -1.424 1.00 0.00 C ATOM 345 CG LYS A 25 12.088 -2.378 -2.050 1.00 0.00 C ATOM 346 CD LYS A 25 11.942 -1.100 -1.241 1.00 0.00 C ATOM 347 CE LYS A 25 13.152 -0.194 -1.406 1.00 0.00 C ATOM 348 NZ LYS A 25 14.235 -0.534 -0.442 1.00 0.00 N ATOM 0 H LYS A 25 10.277 -3.605 -3.708 1.00 0.00 H new ATOM 0 HA LYS A 25 12.279 -4.992 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.295 -3.200 -1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.765 -3.773 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.142 -2.645 -2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.731 -2.209 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.043 -0.570 -1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.813 -1.348 -0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.532 -0.278 -2.424 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.851 0.844 -1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 15.042 0.106 -0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.880 -0.430 0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.540 -1.516 -0.595 1.00 0.00 H new ATOM 362 N THR A 26 9.525 -6.009 -1.144 1.00 0.00 N ATOM 363 CA THR A 26 8.959 -7.094 -0.353 1.00 0.00 C ATOM 364 C THR A 26 8.608 -8.290 -1.230 1.00 0.00 C ATOM 365 O THR A 26 8.713 -9.439 -0.802 1.00 0.00 O ATOM 366 CB THR A 26 7.697 -6.638 0.403 1.00 0.00 C ATOM 367 OG1 THR A 26 7.919 -5.355 0.998 1.00 0.00 O ATOM 368 CG2 THR A 26 7.319 -7.643 1.481 1.00 0.00 C ATOM 0 H THR A 26 8.852 -5.296 -1.424 1.00 0.00 H new ATOM 0 HA THR A 26 9.720 -7.389 0.369 1.00 0.00 H new ATOM 0 HB THR A 26 6.877 -6.570 -0.312 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.111 -5.072 1.475 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.425 -7.299 2.001 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.122 -8.612 1.022 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.139 -7.739 2.193 1.00 0.00 H new ATOM 376 N HIS A 27 8.191 -8.012 -2.461 1.00 0.00 N ATOM 377 CA HIS A 27 7.825 -9.067 -3.401 1.00 0.00 C ATOM 378 C HIS A 27 8.847 -10.199 -3.370 1.00 0.00 C ATOM 379 O HIS A 27 8.548 -11.328 -3.759 1.00 0.00 O ATOM 380 CB HIS A 27 7.715 -8.501 -4.817 1.00 0.00 C ATOM 381 CG HIS A 27 7.376 -9.533 -5.849 1.00 0.00 C ATOM 382 ND1 HIS A 27 6.159 -10.180 -5.894 1.00 0.00 N ATOM 383 CD2 HIS A 27 8.102 -10.027 -6.879 1.00 0.00 C ATOM 384 CE1 HIS A 27 6.152 -11.029 -6.907 1.00 0.00 C ATOM 385 NE2 HIS A 27 7.319 -10.955 -7.520 1.00 0.00 N ATOM 0 H HIS A 27 8.098 -7.066 -2.831 1.00 0.00 H new ATOM 0 HA HIS A 27 6.856 -9.467 -3.102 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.953 -7.722 -4.830 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.660 -8.028 -5.085 1.00 0.00 H new ATOM 0 HD1 HIS A 27 5.385 -10.027 -5.247 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.109 -9.744 -7.147 1.00 0.00 H new ATOM 0 HE1 HIS A 27 5.331 -11.673 -7.186 1.00 0.00 H new ATOM 393 N MET A 28 10.053 -9.889 -2.907 1.00 0.00 N ATOM 394 CA MET A 28 11.119 -10.882 -2.827 1.00 0.00 C ATOM 395 C MET A 28 10.864 -11.861 -1.685 1.00 0.00 C ATOM 396 O MET A 28 11.106 -13.061 -1.818 1.00 0.00 O ATOM 397 CB MET A 28 12.472 -10.195 -2.633 1.00 0.00 C ATOM 398 CG MET A 28 12.921 -9.386 -3.839 1.00 0.00 C ATOM 399 SD MET A 28 13.843 -10.373 -5.032 1.00 0.00 S ATOM 400 CE MET A 28 12.742 -10.314 -6.443 1.00 0.00 C ATOM 0 H MET A 28 10.317 -8.959 -2.582 1.00 0.00 H new ATOM 0 HA MET A 28 11.134 -11.439 -3.764 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.415 -9.538 -1.765 1.00 0.00 H new ATOM 0 HB3 MET A 28 13.226 -10.951 -2.412 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.048 -8.955 -4.328 1.00 0.00 H new ATOM 0 HG3 MET A 28 13.542 -8.555 -3.504 1.00 0.00 H new ATOM 0 HE1 MET A 28 13.083 -11.020 -7.200 1.00 0.00 H new ATOM 0 HE2 MET A 28 11.733 -10.579 -6.128 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.739 -9.307 -6.861 1.00 0.00 H new ATOM 410 N ARG A 29 10.376 -11.341 -0.563 1.00 0.00 N ATOM 411 CA ARG A 29 10.090 -12.169 0.602 1.00 0.00 C ATOM 412 C ARG A 29 9.172 -13.330 0.232 1.00 0.00 C ATOM 413 O ARG A 29 9.049 -14.300 0.981 1.00 0.00 O ATOM 414 CB ARG A 29 9.447 -11.329 1.707 1.00 0.00 C ATOM 415 CG ARG A 29 7.937 -11.209 1.580 1.00 0.00 C ATOM 416 CD ARG A 29 7.300 -10.792 2.896 1.00 0.00 C ATOM 417 NE ARG A 29 6.967 -11.943 3.732 1.00 0.00 N ATOM 418 CZ ARG A 29 6.238 -11.861 4.839 1.00 0.00 C ATOM 419 NH1 ARG A 29 5.767 -10.689 5.241 1.00 0.00 N ATOM 420 NH2 ARG A 29 5.978 -12.953 5.547 1.00 0.00 N ATOM 0 H ARG A 29 10.171 -10.350 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 29 11.033 -12.576 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.688 -11.770 2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.885 -10.331 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.692 -10.479 0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.521 -12.164 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.982 -10.136 3.437 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.396 -10.216 2.695 1.00 0.00 H new ATOM 0 HE ARG A 29 7.313 -12.860 3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.964 -9.847 4.700 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.207 -10.629 6.092 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.338 -13.857 5.241 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.418 -12.888 6.397 1.00 0.00 H new ATOM 434 N CYS A 30 8.530 -13.224 -0.926 1.00 0.00 N ATOM 435 CA CYS A 30 7.621 -14.264 -1.395 1.00 0.00 C ATOM 436 C CYS A 30 8.374 -15.324 -2.194 1.00 0.00 C ATOM 437 O CYS A 30 7.933 -16.469 -2.295 1.00 0.00 O ATOM 438 CB CYS A 30 6.513 -13.653 -2.254 1.00 0.00 C ATOM 439 SG CYS A 30 5.215 -12.826 -1.305 1.00 0.00 S ATOM 0 H CYS A 30 8.622 -12.428 -1.558 1.00 0.00 H new ATOM 0 HA CYS A 30 7.173 -14.741 -0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.957 -12.936 -2.944 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.061 -14.439 -2.859 1.00 0.00 H new ATOM 0 HG CYS A 30 4.325 -12.340 -2.119 1.00 0.00 H new ATOM 445 N HIS A 31 9.511 -14.933 -2.760 1.00 0.00 N ATOM 446 CA HIS A 31 10.325 -15.850 -3.551 1.00 0.00 C ATOM 447 C HIS A 31 11.312 -16.603 -2.664 1.00 0.00 C ATOM 448 O HIS A 31 12.440 -16.884 -3.070 1.00 0.00 O ATOM 449 CB HIS A 31 11.081 -15.086 -4.639 1.00 0.00 C ATOM 450 CG HIS A 31 10.195 -14.565 -5.729 1.00 0.00 C ATOM 451 ND1 HIS A 31 9.256 -15.344 -6.372 1.00 0.00 N ATOM 452 CD2 HIS A 31 10.109 -13.336 -6.288 1.00 0.00 C ATOM 453 CE1 HIS A 31 8.632 -14.616 -7.281 1.00 0.00 C ATOM 454 NE2 HIS A 31 9.130 -13.393 -7.250 1.00 0.00 N ATOM 0 H HIS A 31 9.890 -13.989 -2.686 1.00 0.00 H new ATOM 0 HA HIS A 31 9.659 -16.574 -4.021 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.612 -14.251 -4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 31 11.834 -15.742 -5.076 1.00 0.00 H new ATOM 0 HD1 HIS A 31 9.072 -16.328 -6.176 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.700 -12.471 -6.027 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.848 -14.962 -7.938 1.00 0.00 H new ATOM 462 N THR A 32 10.880 -16.929 -1.450 1.00 0.00 N ATOM 463 CA THR A 32 11.725 -17.648 -0.505 1.00 0.00 C ATOM 464 C THR A 32 10.931 -18.085 0.721 1.00 0.00 C ATOM 465 O THR A 32 10.359 -17.258 1.429 1.00 0.00 O ATOM 466 CB THR A 32 12.918 -16.786 -0.049 1.00 0.00 C ATOM 467 OG1 THR A 32 13.728 -17.520 0.876 1.00 0.00 O ATOM 468 CG2 THR A 32 12.437 -15.498 0.602 1.00 0.00 C ATOM 0 H THR A 32 9.949 -16.706 -1.098 1.00 0.00 H new ATOM 0 HA THR A 32 12.100 -18.530 -1.025 1.00 0.00 H new ATOM 0 HB THR A 32 13.511 -16.532 -0.928 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.485 -16.966 1.160 1.00 0.00 H new ATOM 0 HG21 THR A 32 13.297 -14.906 0.916 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.845 -14.927 -0.114 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.824 -15.737 1.471 1.00 0.00 H new ATOM 476 N GLY A 33 10.901 -19.392 0.966 1.00 0.00 N ATOM 477 CA GLY A 33 10.175 -19.916 2.108 1.00 0.00 C ATOM 478 C GLY A 33 9.278 -21.081 1.739 1.00 0.00 C ATOM 479 O GLY A 33 9.744 -22.091 1.212 1.00 0.00 O ATOM 0 H GLY A 33 11.366 -20.097 0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.885 -20.235 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.572 -19.121 2.547 1.00 0.00 H new ATOM 483 N VAL A 34 7.985 -20.942 2.017 1.00 0.00 N ATOM 484 CA VAL A 34 7.020 -21.991 1.712 1.00 0.00 C ATOM 485 C VAL A 34 5.730 -21.404 1.149 1.00 0.00 C ATOM 486 O VAL A 34 5.631 -20.199 0.921 1.00 0.00 O ATOM 487 CB VAL A 34 6.688 -22.829 2.961 1.00 0.00 C ATOM 488 CG1 VAL A 34 7.958 -23.396 3.577 1.00 0.00 C ATOM 489 CG2 VAL A 34 5.921 -21.992 3.974 1.00 0.00 C ATOM 0 H VAL A 34 7.582 -20.113 2.453 1.00 0.00 H new ATOM 0 HA VAL A 34 7.480 -22.636 0.963 1.00 0.00 H new ATOM 0 HB VAL A 34 6.055 -23.664 2.660 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.703 -23.985 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.463 -24.031 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.619 -22.579 3.866 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.694 -22.599 4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.527 -21.136 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.992 -21.640 3.526 1.00 0.00 H new ATOM 499 N LYS A 35 4.744 -22.266 0.926 1.00 0.00 N ATOM 500 CA LYS A 35 3.458 -21.834 0.391 1.00 0.00 C ATOM 501 C LYS A 35 3.621 -21.236 -1.003 1.00 0.00 C ATOM 502 O LYS A 35 3.202 -20.111 -1.274 1.00 0.00 O ATOM 503 CB LYS A 35 2.811 -20.809 1.325 1.00 0.00 C ATOM 504 CG LYS A 35 2.460 -21.369 2.693 1.00 0.00 C ATOM 505 CD LYS A 35 2.547 -20.302 3.771 1.00 0.00 C ATOM 506 CE LYS A 35 1.251 -19.514 3.883 1.00 0.00 C ATOM 507 NZ LYS A 35 1.263 -18.589 5.050 1.00 0.00 N ATOM 0 H LYS A 35 4.811 -23.268 1.107 1.00 0.00 H new ATOM 0 HA LYS A 35 2.812 -22.709 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.489 -19.965 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.906 -20.423 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.452 -21.783 2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.136 -22.189 2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.773 -20.769 4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.369 -19.622 3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.093 -18.943 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.413 -20.205 3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.362 -18.071 5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.388 -19.136 5.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.047 -17.913 4.949 1.00 0.00 H new ATOM 521 N PRO A 36 4.243 -22.005 -1.909 1.00 0.00 N ATOM 522 CA PRO A 36 4.474 -21.572 -3.290 1.00 0.00 C ATOM 523 C PRO A 36 3.183 -21.496 -4.097 1.00 0.00 C ATOM 524 O PRO A 36 3.188 -21.085 -5.258 1.00 0.00 O ATOM 525 CB PRO A 36 5.394 -22.658 -3.853 1.00 0.00 C ATOM 526 CG PRO A 36 5.103 -23.865 -3.030 1.00 0.00 C ATOM 527 CD PRO A 36 4.769 -23.357 -1.654 1.00 0.00 C ATOM 0 HA PRO A 36 4.898 -20.569 -3.337 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.192 -22.840 -4.908 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.442 -22.369 -3.775 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.272 -24.432 -3.449 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.963 -24.534 -3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.031 -23.989 -1.160 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.648 -23.332 -1.010 1.00 0.00 H new ATOM 535 N TYR A 37 2.078 -21.893 -3.476 1.00 0.00 N ATOM 536 CA TYR A 37 0.779 -21.872 -4.138 1.00 0.00 C ATOM 537 C TYR A 37 0.029 -20.581 -3.823 1.00 0.00 C ATOM 538 O TYR A 37 -0.656 -20.479 -2.805 1.00 0.00 O ATOM 539 CB TYR A 37 -0.056 -23.079 -3.707 1.00 0.00 C ATOM 540 CG TYR A 37 0.538 -24.406 -4.120 1.00 0.00 C ATOM 541 CD1 TYR A 37 1.447 -25.067 -3.304 1.00 0.00 C ATOM 542 CD2 TYR A 37 0.191 -24.999 -5.328 1.00 0.00 C ATOM 543 CE1 TYR A 37 1.993 -26.279 -3.678 1.00 0.00 C ATOM 544 CE2 TYR A 37 0.731 -26.212 -5.710 1.00 0.00 C ATOM 545 CZ TYR A 37 1.632 -26.848 -4.882 1.00 0.00 C ATOM 546 OH TYR A 37 2.173 -28.056 -5.258 1.00 0.00 O ATOM 0 H TYR A 37 2.056 -22.233 -2.515 1.00 0.00 H new ATOM 0 HA TYR A 37 0.946 -21.921 -5.214 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.169 -23.063 -2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.055 -22.990 -4.133 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.732 -24.625 -2.360 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.513 -24.503 -5.980 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.699 -26.779 -3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.449 -26.660 -6.652 1.00 0.00 H new ATOM 0 HH TYR A 37 1.814 -28.318 -6.131 1.00 0.00 H new ATOM 556 N LYS A 38 0.163 -19.597 -4.706 1.00 0.00 N ATOM 557 CA LYS A 38 -0.503 -18.312 -4.526 1.00 0.00 C ATOM 558 C LYS A 38 -1.527 -18.071 -5.631 1.00 0.00 C ATOM 559 O LYS A 38 -1.320 -18.463 -6.780 1.00 0.00 O ATOM 560 CB LYS A 38 0.526 -17.179 -4.513 1.00 0.00 C ATOM 561 CG LYS A 38 1.163 -16.952 -3.153 1.00 0.00 C ATOM 562 CD LYS A 38 2.155 -15.802 -3.187 1.00 0.00 C ATOM 563 CE LYS A 38 1.458 -14.459 -3.030 1.00 0.00 C ATOM 564 NZ LYS A 38 0.828 -14.316 -1.689 1.00 0.00 N ATOM 0 H LYS A 38 0.727 -19.665 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.025 -18.332 -3.569 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.308 -17.401 -5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.043 -16.257 -4.837 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.387 -16.742 -2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.670 -17.862 -2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.887 -15.928 -2.390 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.703 -15.821 -4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.179 -13.656 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.696 -14.352 -3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.744 -13.307 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.117 -14.749 -1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.417 -14.792 -0.976 1.00 0.00 H new ATOM 578 N CYS A 39 -2.630 -17.421 -5.277 1.00 0.00 N ATOM 579 CA CYS A 39 -3.686 -17.125 -6.238 1.00 0.00 C ATOM 580 C CYS A 39 -3.159 -16.253 -7.374 1.00 0.00 C ATOM 581 O CYS A 39 -2.069 -15.687 -7.283 1.00 0.00 O ATOM 582 CB CYS A 39 -4.856 -16.425 -5.543 1.00 0.00 C ATOM 583 SG CYS A 39 -6.386 -16.377 -6.531 1.00 0.00 S ATOM 0 H CYS A 39 -2.816 -17.089 -4.331 1.00 0.00 H new ATOM 0 HA CYS A 39 -4.034 -18.068 -6.659 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.061 -16.932 -4.600 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.562 -15.404 -5.299 1.00 0.00 H new ATOM 588 N LYS A 40 -3.940 -16.149 -8.444 1.00 0.00 N ATOM 589 CA LYS A 40 -3.555 -15.346 -9.598 1.00 0.00 C ATOM 590 C LYS A 40 -3.883 -13.873 -9.369 1.00 0.00 C ATOM 591 O LYS A 40 -3.042 -12.999 -9.581 1.00 0.00 O ATOM 592 CB LYS A 40 -4.267 -15.848 -10.856 1.00 0.00 C ATOM 593 CG LYS A 40 -3.773 -17.203 -11.334 1.00 0.00 C ATOM 594 CD LYS A 40 -2.362 -17.117 -11.891 1.00 0.00 C ATOM 595 CE LYS A 40 -2.063 -18.275 -12.831 1.00 0.00 C ATOM 596 NZ LYS A 40 -1.727 -19.521 -12.088 1.00 0.00 N ATOM 0 H LYS A 40 -4.844 -16.612 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.478 -15.444 -9.734 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.337 -15.910 -10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.133 -15.119 -11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.796 -17.912 -10.507 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.445 -17.586 -12.101 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.236 -16.174 -12.422 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.645 -17.119 -11.070 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.927 -18.456 -13.471 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.233 -18.007 -13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.530 -20.286 -12.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.887 -19.357 -11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.529 -19.792 -11.483 1.00 0.00 H new ATOM 610 N THR A 41 -5.111 -13.606 -8.935 1.00 0.00 N ATOM 611 CA THR A 41 -5.549 -12.240 -8.677 1.00 0.00 C ATOM 612 C THR A 41 -5.388 -11.879 -7.205 1.00 0.00 C ATOM 613 O THR A 41 -4.837 -10.830 -6.869 1.00 0.00 O ATOM 614 CB THR A 41 -7.021 -12.036 -9.086 1.00 0.00 C ATOM 615 OG1 THR A 41 -7.387 -10.661 -8.927 1.00 0.00 O ATOM 616 CG2 THR A 41 -7.941 -12.911 -8.248 1.00 0.00 C ATOM 0 H THR A 41 -5.819 -14.317 -8.755 1.00 0.00 H new ATOM 0 HA THR A 41 -4.918 -11.587 -9.279 1.00 0.00 H new ATOM 0 HB THR A 41 -7.128 -12.321 -10.133 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.323 -10.539 -9.190 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.975 -12.750 -8.554 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.678 -13.959 -8.393 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.830 -12.652 -7.195 1.00 0.00 H new ATOM 624 N CYS A 42 -5.870 -12.754 -6.330 1.00 0.00 N ATOM 625 CA CYS A 42 -5.779 -12.528 -4.892 1.00 0.00 C ATOM 626 C CYS A 42 -4.334 -12.639 -4.415 1.00 0.00 C ATOM 627 O CYS A 42 -3.449 -13.046 -5.168 1.00 0.00 O ATOM 628 CB CYS A 42 -6.654 -13.533 -4.140 1.00 0.00 C ATOM 629 SG CYS A 42 -8.286 -13.811 -4.900 1.00 0.00 S ATOM 0 H CYS A 42 -6.328 -13.627 -6.591 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.136 -11.519 -4.685 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -6.126 -14.485 -4.080 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.796 -13.182 -3.118 1.00 0.00 H new ATOM 634 N ASP A 43 -4.102 -12.275 -3.158 1.00 0.00 N ATOM 635 CA ASP A 43 -2.765 -12.335 -2.579 1.00 0.00 C ATOM 636 C ASP A 43 -2.722 -13.315 -1.410 1.00 0.00 C ATOM 637 O ASP A 43 -2.108 -13.040 -0.379 1.00 0.00 O ATOM 638 CB ASP A 43 -2.326 -10.946 -2.112 1.00 0.00 C ATOM 639 CG ASP A 43 -2.751 -9.852 -3.072 1.00 0.00 C ATOM 640 OD1 ASP A 43 -3.948 -9.497 -3.075 1.00 0.00 O ATOM 641 OD2 ASP A 43 -1.885 -9.350 -3.819 1.00 0.00 O ATOM 0 H ASP A 43 -4.823 -11.935 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.078 -12.686 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.749 -10.746 -1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.242 -10.928 -2.002 1.00 0.00 H new ATOM 646 N TYR A 44 -3.380 -14.456 -1.579 1.00 0.00 N ATOM 647 CA TYR A 44 -3.420 -15.476 -0.537 1.00 0.00 C ATOM 648 C TYR A 44 -2.395 -16.572 -0.807 1.00 0.00 C ATOM 649 O TYR A 44 -2.258 -17.045 -1.935 1.00 0.00 O ATOM 650 CB TYR A 44 -4.821 -16.084 -0.443 1.00 0.00 C ATOM 651 CG TYR A 44 -4.828 -17.513 0.051 1.00 0.00 C ATOM 652 CD1 TYR A 44 -4.390 -17.828 1.331 1.00 0.00 C ATOM 653 CD2 TYR A 44 -5.275 -18.547 -0.762 1.00 0.00 C ATOM 654 CE1 TYR A 44 -4.394 -19.133 1.787 1.00 0.00 C ATOM 655 CE2 TYR A 44 -5.285 -19.854 -0.314 1.00 0.00 C ATOM 656 CZ TYR A 44 -4.843 -20.142 0.960 1.00 0.00 C ATOM 657 OH TYR A 44 -4.851 -21.442 1.411 1.00 0.00 O ATOM 0 H TYR A 44 -3.893 -14.698 -2.427 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.173 -14.999 0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.429 -15.474 0.226 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.292 -16.046 -1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -4.040 -17.040 1.981 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.620 -18.326 -1.761 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.048 -19.361 2.784 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.637 -20.646 -0.958 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.197 -22.030 0.708 1.00 0.00 H new ATOM 667 N ALA A 45 -1.676 -16.972 0.237 1.00 0.00 N ATOM 668 CA ALA A 45 -0.665 -18.014 0.114 1.00 0.00 C ATOM 669 C ALA A 45 -1.170 -19.339 0.676 1.00 0.00 C ATOM 670 O ALA A 45 -1.677 -19.396 1.796 1.00 0.00 O ATOM 671 CB ALA A 45 0.615 -17.594 0.821 1.00 0.00 C ATOM 0 H ALA A 45 -1.775 -16.590 1.177 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.453 -18.155 -0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.361 -18.382 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.994 -16.676 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.408 -17.423 1.877 1.00 0.00 H new ATOM 677 N ALA A 46 -1.030 -20.402 -0.110 1.00 0.00 N ATOM 678 CA ALA A 46 -1.472 -21.726 0.310 1.00 0.00 C ATOM 679 C ALA A 46 -0.287 -22.669 0.487 1.00 0.00 C ATOM 680 O ALA A 46 0.660 -22.645 -0.298 1.00 0.00 O ATOM 681 CB ALA A 46 -2.458 -22.297 -0.697 1.00 0.00 C ATOM 0 H ALA A 46 -0.614 -20.372 -1.041 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.971 -21.627 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.780 -23.286 -0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.324 -21.640 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.978 -22.375 -1.672 1.00 0.00 H new ATOM 687 N ALA A 47 -0.346 -23.498 1.524 1.00 0.00 N ATOM 688 CA ALA A 47 0.722 -24.450 1.803 1.00 0.00 C ATOM 689 C ALA A 47 0.845 -25.480 0.685 1.00 0.00 C ATOM 690 O ALA A 47 1.897 -25.608 0.059 1.00 0.00 O ATOM 691 CB ALA A 47 0.478 -25.142 3.136 1.00 0.00 C ATOM 0 H ALA A 47 -1.122 -23.529 2.185 1.00 0.00 H new ATOM 0 HA ALA A 47 1.661 -23.899 1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.283 -25.850 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.448 -24.398 3.932 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.473 -25.674 3.101 1.00 0.00 H new ATOM 697 N ASP A 48 -0.236 -26.213 0.440 1.00 0.00 N ATOM 698 CA ASP A 48 -0.249 -27.232 -0.603 1.00 0.00 C ATOM 699 C ASP A 48 -1.151 -26.813 -1.760 1.00 0.00 C ATOM 700 O ASP A 48 -1.900 -25.842 -1.656 1.00 0.00 O ATOM 701 CB ASP A 48 -0.720 -28.570 -0.032 1.00 0.00 C ATOM 702 CG ASP A 48 -0.319 -29.744 -0.903 1.00 0.00 C ATOM 703 OD1 ASP A 48 0.880 -30.092 -0.916 1.00 0.00 O ATOM 704 OD2 ASP A 48 -1.205 -30.316 -1.572 1.00 0.00 O ATOM 0 H ASP A 48 -1.115 -26.120 0.950 1.00 0.00 H new ATOM 0 HA ASP A 48 0.767 -27.344 -0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.303 -28.703 0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.805 -28.554 0.075 1.00 0.00 H new ATOM 709 N SER A 49 -1.073 -27.552 -2.862 1.00 0.00 N ATOM 710 CA SER A 49 -1.878 -27.255 -4.040 1.00 0.00 C ATOM 711 C SER A 49 -3.367 -27.309 -3.709 1.00 0.00 C ATOM 712 O SER A 49 -4.070 -26.303 -3.797 1.00 0.00 O ATOM 713 CB SER A 49 -1.559 -28.242 -5.165 1.00 0.00 C ATOM 714 OG SER A 49 -1.848 -27.681 -6.434 1.00 0.00 O ATOM 0 H SER A 49 -0.460 -28.361 -2.963 1.00 0.00 H new ATOM 0 HA SER A 49 -1.633 -26.246 -4.371 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.507 -28.522 -5.119 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.138 -29.155 -5.027 1.00 0.00 H new ATOM 0 HG SER A 49 -1.338 -26.852 -6.549 1.00 0.00 H new ATOM 720 N SER A 50 -3.839 -28.491 -3.328 1.00 0.00 N ATOM 721 CA SER A 50 -5.244 -28.679 -2.986 1.00 0.00 C ATOM 722 C SER A 50 -5.763 -27.507 -2.158 1.00 0.00 C ATOM 723 O SER A 50 -6.775 -26.894 -2.496 1.00 0.00 O ATOM 724 CB SER A 50 -5.434 -29.987 -2.216 1.00 0.00 C ATOM 725 OG SER A 50 -4.660 -29.996 -1.029 1.00 0.00 O ATOM 0 H SER A 50 -3.269 -29.333 -3.248 1.00 0.00 H new ATOM 0 HA SER A 50 -5.815 -28.727 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.487 -30.117 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.148 -30.829 -2.847 1.00 0.00 H new ATOM 0 HG SER A 50 -4.800 -30.842 -0.554 1.00 0.00 H new ATOM 731 N SER A 51 -5.062 -27.203 -1.071 1.00 0.00 N ATOM 732 CA SER A 51 -5.453 -26.108 -0.190 1.00 0.00 C ATOM 733 C SER A 51 -5.880 -24.887 -0.999 1.00 0.00 C ATOM 734 O SER A 51 -6.810 -24.173 -0.623 1.00 0.00 O ATOM 735 CB SER A 51 -4.298 -25.738 0.742 1.00 0.00 C ATOM 736 OG SER A 51 -4.694 -24.751 1.678 1.00 0.00 O ATOM 0 H SER A 51 -4.220 -27.699 -0.779 1.00 0.00 H new ATOM 0 HA SER A 51 -6.301 -26.441 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.954 -26.627 1.270 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.456 -25.370 0.155 1.00 0.00 H new ATOM 0 HG SER A 51 -3.938 -24.533 2.263 1.00 0.00 H new ATOM 742 N LEU A 52 -5.193 -24.653 -2.112 1.00 0.00 N ATOM 743 CA LEU A 52 -5.500 -23.518 -2.976 1.00 0.00 C ATOM 744 C LEU A 52 -6.746 -23.792 -3.812 1.00 0.00 C ATOM 745 O LEU A 52 -7.596 -22.919 -3.980 1.00 0.00 O ATOM 746 CB LEU A 52 -4.313 -23.214 -3.892 1.00 0.00 C ATOM 747 CG LEU A 52 -4.438 -21.960 -4.758 1.00 0.00 C ATOM 748 CD1 LEU A 52 -4.286 -20.708 -3.908 1.00 0.00 C ATOM 749 CD2 LEU A 52 -3.403 -21.977 -5.874 1.00 0.00 C ATOM 0 H LEU A 52 -4.420 -25.234 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.693 -22.652 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.419 -23.118 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.157 -24.070 -4.548 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.430 -21.951 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.378 -19.825 -4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.064 -20.690 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.307 -20.710 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.507 -21.077 -6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.403 -22.010 -5.442 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.557 -22.856 -6.500 1.00 0.00 H new ATOM 761 N ASN A 53 -6.847 -25.010 -4.333 1.00 0.00 N ATOM 762 CA ASN A 53 -7.990 -25.400 -5.151 1.00 0.00 C ATOM 763 C ASN A 53 -9.298 -24.956 -4.504 1.00 0.00 C ATOM 764 O ASN A 53 -10.265 -24.629 -5.192 1.00 0.00 O ATOM 765 CB ASN A 53 -8.000 -26.915 -5.362 1.00 0.00 C ATOM 766 CG ASN A 53 -7.081 -27.349 -6.487 1.00 0.00 C ATOM 767 OD1 ASN A 53 -6.288 -26.557 -6.996 1.00 0.00 O ATOM 768 ND2 ASN A 53 -7.184 -28.613 -6.881 1.00 0.00 N ATOM 0 H ASN A 53 -6.151 -25.744 -4.203 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.898 -24.907 -6.119 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.698 -27.409 -4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.017 -27.242 -5.581 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.591 -28.962 -7.634 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.856 -29.235 -6.430 1.00 0.00 H new ATOM 775 N LYS A 54 -9.321 -24.945 -3.175 1.00 0.00 N ATOM 776 CA LYS A 54 -10.508 -24.540 -2.433 1.00 0.00 C ATOM 777 C LYS A 54 -10.732 -23.035 -2.544 1.00 0.00 C ATOM 778 O LYS A 54 -11.860 -22.577 -2.730 1.00 0.00 O ATOM 779 CB LYS A 54 -10.377 -24.940 -0.962 1.00 0.00 C ATOM 780 CG LYS A 54 -11.707 -25.029 -0.234 1.00 0.00 C ATOM 781 CD LYS A 54 -11.560 -25.712 1.115 1.00 0.00 C ATOM 782 CE LYS A 54 -10.987 -24.766 2.159 1.00 0.00 C ATOM 783 NZ LYS A 54 -10.758 -25.451 3.462 1.00 0.00 N ATOM 0 H LYS A 54 -8.530 -25.212 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.368 -25.050 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.874 -25.905 -0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.742 -24.216 -0.453 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.113 -24.027 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.421 -25.580 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.532 -26.077 1.447 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.911 -26.582 1.015 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.046 -24.352 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.669 -23.929 2.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.367 -24.773 4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.660 -25.825 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.087 -26.234 3.329 1.00 0.00 H new ATOM 797 N HIS A 55 -9.650 -22.270 -2.430 1.00 0.00 N ATOM 798 CA HIS A 55 -9.729 -20.817 -2.519 1.00 0.00 C ATOM 799 C HIS A 55 -10.070 -20.378 -3.940 1.00 0.00 C ATOM 800 O HIS A 55 -10.675 -19.325 -4.147 1.00 0.00 O ATOM 801 CB HIS A 55 -8.406 -20.186 -2.082 1.00 0.00 C ATOM 802 CG HIS A 55 -8.252 -18.759 -2.512 1.00 0.00 C ATOM 803 ND1 HIS A 55 -8.612 -17.691 -1.718 1.00 0.00 N ATOM 804 CD2 HIS A 55 -7.772 -18.228 -3.660 1.00 0.00 C ATOM 805 CE1 HIS A 55 -8.362 -16.564 -2.359 1.00 0.00 C ATOM 806 NE2 HIS A 55 -7.851 -16.862 -3.540 1.00 0.00 N ATOM 0 H HIS A 55 -8.709 -22.633 -2.276 1.00 0.00 H new ATOM 0 HA HIS A 55 -10.522 -20.479 -1.852 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.328 -20.240 -0.996 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -7.582 -20.771 -2.490 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -9.010 -17.761 -0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.397 -18.776 -4.512 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.544 -15.568 -1.982 1.00 0.00 H new ATOM 814 N LEU A 56 -9.677 -21.190 -4.915 1.00 0.00 N ATOM 815 CA LEU A 56 -9.941 -20.885 -6.317 1.00 0.00 C ATOM 816 C LEU A 56 -11.409 -21.118 -6.659 1.00 0.00 C ATOM 817 O LEU A 56 -11.947 -20.508 -7.583 1.00 0.00 O ATOM 818 CB LEU A 56 -9.053 -21.741 -7.222 1.00 0.00 C ATOM 819 CG LEU A 56 -7.548 -21.649 -6.968 1.00 0.00 C ATOM 820 CD1 LEU A 56 -6.811 -22.745 -7.722 1.00 0.00 C ATOM 821 CD2 LEU A 56 -7.023 -20.278 -7.368 1.00 0.00 C ATOM 0 H LEU A 56 -9.175 -22.064 -4.761 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.711 -19.832 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.356 -22.782 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.244 -21.458 -8.257 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.370 -21.788 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.741 -22.663 -7.529 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.167 -23.719 -7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.996 -22.639 -8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.950 -20.230 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.214 -20.110 -8.428 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.528 -19.510 -6.782 1.00 0.00 H new ATOM 833 N ARG A 57 -12.054 -22.003 -5.905 1.00 0.00 N ATOM 834 CA ARG A 57 -13.460 -22.315 -6.126 1.00 0.00 C ATOM 835 C ARG A 57 -14.323 -21.064 -5.992 1.00 0.00 C ATOM 836 O ARG A 57 -15.041 -20.691 -6.920 1.00 0.00 O ATOM 837 CB ARG A 57 -13.930 -23.381 -5.135 1.00 0.00 C ATOM 838 CG ARG A 57 -13.545 -24.796 -5.533 1.00 0.00 C ATOM 839 CD ARG A 57 -14.244 -25.830 -4.665 1.00 0.00 C ATOM 840 NE ARG A 57 -13.566 -27.123 -4.698 1.00 0.00 N ATOM 841 CZ ARG A 57 -14.154 -28.270 -4.379 1.00 0.00 C ATOM 842 NH1 ARG A 57 -15.426 -28.285 -4.005 1.00 0.00 N ATOM 843 NH2 ARG A 57 -13.470 -29.406 -4.434 1.00 0.00 N ATOM 0 H ARG A 57 -11.624 -22.516 -5.136 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.565 -22.700 -7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.510 -23.162 -4.153 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -15.014 -23.322 -5.039 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.803 -24.964 -6.579 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.465 -24.918 -5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.288 -25.470 -3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.273 -25.952 -5.004 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.587 -27.146 -4.982 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.955 -27.414 -3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.875 -29.167 -3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.491 -29.399 -4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.923 -30.286 -4.189 1.00 0.00 H new ATOM 857 N ILE A 58 -14.248 -20.422 -4.831 1.00 0.00 N ATOM 858 CA ILE A 58 -15.021 -19.213 -4.576 1.00 0.00 C ATOM 859 C ILE A 58 -15.189 -18.389 -5.848 1.00 0.00 C ATOM 860 O ILE A 58 -16.254 -17.824 -6.099 1.00 0.00 O ATOM 861 CB ILE A 58 -14.360 -18.339 -3.494 1.00 0.00 C ATOM 862 CG1 ILE A 58 -13.372 -17.360 -4.132 1.00 0.00 C ATOM 863 CG2 ILE A 58 -13.658 -19.212 -2.464 1.00 0.00 C ATOM 864 CD1 ILE A 58 -12.556 -16.582 -3.124 1.00 0.00 C ATOM 0 H ILE A 58 -13.660 -20.719 -4.052 1.00 0.00 H new ATOM 0 HA ILE A 58 -16.001 -19.534 -4.222 1.00 0.00 H new ATOM 0 HB ILE A 58 -15.136 -17.765 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.697 -17.912 -4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.922 -16.659 -4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -13.196 -18.580 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -14.385 -19.873 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -12.890 -19.809 -2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -11.878 -15.908 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.223 -16.002 -2.486 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.979 -17.274 -2.511 1.00 0.00 H new ATOM 876 N HIS A 59 -14.129 -18.325 -6.648 1.00 0.00 N ATOM 877 CA HIS A 59 -14.159 -17.571 -7.897 1.00 0.00 C ATOM 878 C HIS A 59 -15.041 -18.266 -8.930 1.00 0.00 C ATOM 879 O HIS A 59 -14.561 -19.067 -9.732 1.00 0.00 O ATOM 880 CB HIS A 59 -12.743 -17.402 -8.449 1.00 0.00 C ATOM 881 CG HIS A 59 -11.757 -16.919 -7.430 1.00 0.00 C ATOM 882 ND1 HIS A 59 -12.047 -15.934 -6.510 1.00 0.00 N ATOM 883 CD2 HIS A 59 -10.479 -17.294 -7.189 1.00 0.00 C ATOM 884 CE1 HIS A 59 -10.989 -15.722 -5.748 1.00 0.00 C ATOM 885 NE2 HIS A 59 -10.024 -16.535 -6.139 1.00 0.00 N ATOM 0 H HIS A 59 -13.240 -18.785 -6.454 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.580 -16.587 -7.689 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.401 -18.357 -8.849 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.768 -16.698 -9.281 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -12.939 -15.445 -6.430 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -9.921 -18.049 -7.723 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -10.924 -15.006 -4.942 1.00 0.00 H new ATOM 893 N SER A 60 -16.333 -17.954 -8.904 1.00 0.00 N ATOM 894 CA SER A 60 -17.282 -18.552 -9.836 1.00 0.00 C ATOM 895 C SER A 60 -18.042 -17.474 -10.604 1.00 0.00 C ATOM 896 O SER A 60 -17.965 -17.400 -11.830 1.00 0.00 O ATOM 897 CB SER A 60 -18.268 -19.449 -9.086 1.00 0.00 C ATOM 898 OG SER A 60 -19.118 -20.138 -9.987 1.00 0.00 O ATOM 0 H SER A 60 -16.746 -17.291 -8.248 1.00 0.00 H new ATOM 0 HA SER A 60 -16.721 -19.156 -10.550 1.00 0.00 H new ATOM 0 HB2 SER A 60 -17.720 -20.168 -8.477 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.868 -18.845 -8.405 1.00 0.00 H new ATOM 0 HG SER A 60 -19.738 -20.706 -9.483 1.00 0.00 H new ATOM 904 N ASP A 61 -18.774 -16.641 -9.873 1.00 0.00 N ATOM 905 CA ASP A 61 -19.547 -15.566 -10.484 1.00 0.00 C ATOM 906 C ASP A 61 -20.524 -16.118 -11.517 1.00 0.00 C ATOM 907 O ASP A 61 -20.625 -15.600 -12.629 1.00 0.00 O ATOM 908 CB ASP A 61 -18.614 -14.547 -11.140 1.00 0.00 C ATOM 909 CG ASP A 61 -17.673 -13.898 -10.144 1.00 0.00 C ATOM 910 OD1 ASP A 61 -16.572 -14.443 -9.927 1.00 0.00 O ATOM 911 OD2 ASP A 61 -18.039 -12.844 -9.581 1.00 0.00 O ATOM 0 H ASP A 61 -18.848 -16.689 -8.857 1.00 0.00 H new ATOM 0 HA ASP A 61 -20.118 -15.071 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.031 -15.040 -11.918 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -19.209 -13.776 -11.629 1.00 0.00 H new ATOM 916 N GLU A 62 -21.241 -17.173 -11.142 1.00 0.00 N ATOM 917 CA GLU A 62 -22.208 -17.796 -12.037 1.00 0.00 C ATOM 918 C GLU A 62 -23.613 -17.259 -11.779 1.00 0.00 C ATOM 919 O GLU A 62 -24.590 -18.007 -11.810 1.00 0.00 O ATOM 920 CB GLU A 62 -22.192 -19.317 -11.863 1.00 0.00 C ATOM 921 CG GLU A 62 -22.714 -19.781 -10.514 1.00 0.00 C ATOM 922 CD GLU A 62 -23.114 -21.243 -10.515 1.00 0.00 C ATOM 923 OE1 GLU A 62 -22.237 -22.097 -10.768 1.00 0.00 O ATOM 924 OE2 GLU A 62 -24.301 -21.535 -10.263 1.00 0.00 O ATOM 0 H GLU A 62 -21.170 -17.614 -10.225 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.926 -17.551 -13.061 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.793 -19.771 -12.651 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.172 -19.678 -11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -21.947 -19.618 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -23.574 -19.173 -10.233 1.00 0.00 H new ATOM 931 N ARG A 63 -23.705 -15.958 -11.525 1.00 0.00 N ATOM 932 CA ARG A 63 -24.989 -15.321 -11.260 1.00 0.00 C ATOM 933 C ARG A 63 -25.325 -14.302 -12.345 1.00 0.00 C ATOM 934 O ARG A 63 -24.526 -13.425 -12.676 1.00 0.00 O ATOM 935 CB ARG A 63 -24.970 -14.637 -9.892 1.00 0.00 C ATOM 936 CG ARG A 63 -25.109 -15.602 -8.726 1.00 0.00 C ATOM 937 CD ARG A 63 -23.798 -16.316 -8.435 1.00 0.00 C ATOM 938 NE ARG A 63 -22.926 -15.526 -7.570 1.00 0.00 N ATOM 939 CZ ARG A 63 -23.051 -15.476 -6.248 1.00 0.00 C ATOM 940 NH1 ARG A 63 -24.008 -16.166 -5.643 1.00 0.00 N ATOM 941 NH2 ARG A 63 -22.218 -14.735 -5.529 1.00 0.00 N ATOM 0 H ARG A 63 -22.906 -15.325 -11.497 1.00 0.00 H new ATOM 0 HA ARG A 63 -25.757 -16.094 -11.262 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -24.037 -14.083 -9.785 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -25.780 -13.909 -9.848 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -25.433 -15.058 -7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -25.883 -16.336 -8.950 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -24.005 -17.276 -7.962 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -23.284 -16.527 -9.373 1.00 0.00 H new ATOM 0 HE ARG A 63 -22.180 -14.983 -8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -24.650 -16.737 -6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -24.102 -16.126 -4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -21.481 -14.203 -5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -22.315 -14.697 -4.514 1.00 0.00 H new ATOM 955 N PRO A 64 -26.534 -14.418 -12.913 1.00 0.00 N ATOM 956 CA PRO A 64 -27.003 -13.517 -13.969 1.00 0.00 C ATOM 957 C PRO A 64 -27.274 -12.108 -13.451 1.00 0.00 C ATOM 958 O PRO A 64 -26.801 -11.125 -14.021 1.00 0.00 O ATOM 959 CB PRO A 64 -28.303 -14.171 -14.444 1.00 0.00 C ATOM 960 CG PRO A 64 -28.776 -14.964 -13.274 1.00 0.00 C ATOM 961 CD PRO A 64 -27.537 -15.440 -12.567 1.00 0.00 C ATOM 0 HA PRO A 64 -26.260 -13.392 -14.757 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -29.038 -13.422 -14.739 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -28.132 -14.808 -15.312 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -29.392 -14.354 -12.613 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -29.389 -15.806 -13.596 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -27.689 -15.506 -11.490 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -27.235 -16.431 -12.907 1.00 0.00 H new ATOM 969 N PHE A 65 -28.038 -12.018 -12.367 1.00 0.00 N ATOM 970 CA PHE A 65 -28.372 -10.730 -11.773 1.00 0.00 C ATOM 971 C PHE A 65 -27.338 -10.330 -10.724 1.00 0.00 C ATOM 972 O PHE A 65 -26.881 -11.160 -9.938 1.00 0.00 O ATOM 973 CB PHE A 65 -29.764 -10.782 -11.139 1.00 0.00 C ATOM 974 CG PHE A 65 -30.877 -10.867 -12.144 1.00 0.00 C ATOM 975 CD1 PHE A 65 -31.437 -9.716 -12.675 1.00 0.00 C ATOM 976 CD2 PHE A 65 -31.363 -12.097 -12.557 1.00 0.00 C ATOM 977 CE1 PHE A 65 -32.462 -9.791 -13.599 1.00 0.00 C ATOM 978 CE2 PHE A 65 -32.388 -12.178 -13.481 1.00 0.00 C ATOM 979 CZ PHE A 65 -32.937 -11.024 -14.004 1.00 0.00 C ATOM 0 H PHE A 65 -28.437 -12.822 -11.883 1.00 0.00 H new ATOM 0 HA PHE A 65 -28.369 -9.981 -12.565 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -29.820 -11.643 -10.473 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -29.908 -9.894 -10.524 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -31.068 -8.750 -12.363 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -30.936 -13.003 -12.152 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -32.891 -8.887 -14.004 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -32.759 -13.143 -13.794 1.00 0.00 H new ATOM 0 HZ PHE A 65 -33.736 -11.085 -14.728 1.00 0.00 H new ATOM 989 N LYS A 66 -26.974 -9.052 -10.718 1.00 0.00 N ATOM 990 CA LYS A 66 -25.995 -8.540 -9.766 1.00 0.00 C ATOM 991 C LYS A 66 -26.338 -7.114 -9.348 1.00 0.00 C ATOM 992 O LYS A 66 -26.703 -6.283 -10.180 1.00 0.00 O ATOM 993 CB LYS A 66 -24.592 -8.581 -10.375 1.00 0.00 C ATOM 994 CG LYS A 66 -24.213 -9.938 -10.941 1.00 0.00 C ATOM 995 CD LYS A 66 -24.600 -10.060 -12.406 1.00 0.00 C ATOM 996 CE LYS A 66 -23.439 -9.698 -13.320 1.00 0.00 C ATOM 997 NZ LYS A 66 -23.329 -8.226 -13.519 1.00 0.00 N ATOM 0 H LYS A 66 -27.342 -8.352 -11.362 1.00 0.00 H new ATOM 0 HA LYS A 66 -26.019 -9.175 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -24.527 -7.835 -11.168 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -23.866 -8.299 -9.612 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -23.139 -10.091 -10.834 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -24.706 -10.723 -10.367 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -24.924 -11.080 -12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -25.447 -9.407 -12.616 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -22.510 -10.078 -12.895 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -23.571 -10.186 -14.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.680 -8.030 -14.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -24.267 -7.834 -13.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -22.963 -7.785 -12.651 1.00 0.00 H new ATOM 1011 N CYS A 67 -26.217 -6.836 -8.054 1.00 0.00 N ATOM 1012 CA CYS A 67 -26.512 -5.511 -7.524 1.00 0.00 C ATOM 1013 C CYS A 67 -25.381 -4.536 -7.836 1.00 0.00 C ATOM 1014 O CYS A 67 -24.217 -4.927 -7.920 1.00 0.00 O ATOM 1015 CB CYS A 67 -26.739 -5.581 -6.013 1.00 0.00 C ATOM 1016 SG CYS A 67 -27.300 -4.014 -5.271 1.00 0.00 S ATOM 0 H CYS A 67 -25.916 -7.512 -7.352 1.00 0.00 H new ATOM 0 HA CYS A 67 -27.422 -5.150 -8.004 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -27.477 -6.355 -5.803 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -25.811 -5.887 -5.531 1.00 0.00 H new ATOM 1021 N GLN A 68 -25.732 -3.265 -8.005 1.00 0.00 N ATOM 1022 CA GLN A 68 -24.745 -2.234 -8.307 1.00 0.00 C ATOM 1023 C GLN A 68 -23.992 -1.816 -7.049 1.00 0.00 C ATOM 1024 O GLN A 68 -22.773 -1.968 -6.965 1.00 0.00 O ATOM 1025 CB GLN A 68 -25.425 -1.018 -8.938 1.00 0.00 C ATOM 1026 CG GLN A 68 -26.055 -1.305 -10.291 1.00 0.00 C ATOM 1027 CD GLN A 68 -25.057 -1.223 -11.429 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -24.634 -2.243 -11.974 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -24.674 -0.005 -11.794 1.00 0.00 N ATOM 0 H GLN A 68 -26.691 -2.925 -7.938 1.00 0.00 H new ATOM 0 HA GLN A 68 -24.028 -2.649 -9.015 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -26.195 -0.650 -8.259 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -24.691 -0.220 -9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -26.502 -2.299 -10.276 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -26.863 -0.595 -10.469 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -25.050 0.813 -11.315 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -24.004 0.113 -12.554 1.00 0.00 H new ATOM 1038 N ILE A 69 -24.725 -1.289 -6.075 1.00 0.00 N ATOM 1039 CA ILE A 69 -24.126 -0.849 -4.821 1.00 0.00 C ATOM 1040 C ILE A 69 -23.173 -1.904 -4.268 1.00 0.00 C ATOM 1041 O ILE A 69 -22.000 -1.625 -4.016 1.00 0.00 O ATOM 1042 CB ILE A 69 -25.200 -0.538 -3.762 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -26.162 0.534 -4.279 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -24.548 -0.091 -2.462 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -27.475 0.578 -3.530 1.00 0.00 C ATOM 0 H ILE A 69 -25.735 -1.156 -6.130 1.00 0.00 H new ATOM 0 HA ILE A 69 -23.569 0.062 -5.040 1.00 0.00 H new ATOM 0 HB ILE A 69 -25.770 -1.446 -3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.679 1.509 -4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -26.361 0.353 -5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -25.320 0.125 -1.723 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -23.900 -0.884 -2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -23.956 0.807 -2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -28.107 1.360 -3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -27.979 -0.384 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -27.287 0.789 -2.477 1.00 0.00 H new ATOM 1057 N CYS A 70 -23.684 -3.116 -4.082 1.00 0.00 N ATOM 1058 CA CYS A 70 -22.879 -4.214 -3.561 1.00 0.00 C ATOM 1059 C CYS A 70 -22.705 -5.308 -4.611 1.00 0.00 C ATOM 1060 O CYS A 70 -23.538 -5.488 -5.499 1.00 0.00 O ATOM 1061 CB CYS A 70 -23.528 -4.797 -2.304 1.00 0.00 C ATOM 1062 SG CYS A 70 -25.117 -5.635 -2.607 1.00 0.00 S ATOM 0 H CYS A 70 -24.653 -3.363 -4.285 1.00 0.00 H new ATOM 0 HA CYS A 70 -21.895 -3.821 -3.306 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -22.837 -5.506 -1.847 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -23.685 -3.994 -1.583 1.00 0.00 H new ATOM 1067 N PRO A 71 -21.597 -6.056 -4.507 1.00 0.00 N ATOM 1068 CA PRO A 71 -21.288 -7.146 -5.438 1.00 0.00 C ATOM 1069 C PRO A 71 -22.226 -8.336 -5.270 1.00 0.00 C ATOM 1070 O PRO A 71 -22.064 -9.364 -5.927 1.00 0.00 O ATOM 1071 CB PRO A 71 -19.856 -7.536 -5.064 1.00 0.00 C ATOM 1072 CG PRO A 71 -19.712 -7.128 -3.639 1.00 0.00 C ATOM 1073 CD PRO A 71 -20.561 -5.898 -3.473 1.00 0.00 C ATOM 0 HA PRO A 71 -21.403 -6.839 -6.478 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -19.692 -8.606 -5.188 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -19.129 -7.027 -5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -20.042 -7.923 -2.970 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -18.670 -6.919 -3.396 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -20.995 -5.841 -2.475 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -19.981 -4.987 -3.621 1.00 0.00 H new ATOM 1081 N TYR A 72 -23.207 -8.190 -4.386 1.00 0.00 N ATOM 1082 CA TYR A 72 -24.170 -9.254 -4.131 1.00 0.00 C ATOM 1083 C TYR A 72 -24.732 -9.806 -5.437 1.00 0.00 C ATOM 1084 O TYR A 72 -24.569 -9.205 -6.499 1.00 0.00 O ATOM 1085 CB TYR A 72 -25.310 -8.738 -3.250 1.00 0.00 C ATOM 1086 CG TYR A 72 -26.375 -9.775 -2.969 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -26.210 -10.711 -1.956 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -27.544 -9.818 -3.718 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -27.180 -11.660 -1.696 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -28.520 -10.762 -3.465 1.00 0.00 C ATOM 1091 CZ TYR A 72 -28.333 -11.681 -2.453 1.00 0.00 C ATOM 1092 OH TYR A 72 -29.302 -12.625 -2.198 1.00 0.00 O ATOM 0 H TYR A 72 -23.356 -7.345 -3.834 1.00 0.00 H new ATOM 0 HA TYR A 72 -23.653 -10.060 -3.610 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -24.897 -8.388 -2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -25.771 -7.877 -3.734 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -25.308 -10.697 -1.362 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -27.692 -9.101 -4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -27.036 -12.381 -0.905 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -29.424 -10.781 -4.056 1.00 0.00 H new ATOM 0 HH TYR A 72 -30.050 -12.502 -2.819 1.00 0.00 H new ATOM 1102 N ALA A 73 -25.396 -10.954 -5.350 1.00 0.00 N ATOM 1103 CA ALA A 73 -25.986 -11.586 -6.524 1.00 0.00 C ATOM 1104 C ALA A 73 -26.949 -12.698 -6.122 1.00 0.00 C ATOM 1105 O ALA A 73 -26.720 -13.407 -5.142 1.00 0.00 O ATOM 1106 CB ALA A 73 -24.894 -12.133 -7.432 1.00 0.00 C ATOM 0 H ALA A 73 -25.539 -11.465 -4.479 1.00 0.00 H new ATOM 0 HA ALA A 73 -26.552 -10.830 -7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -25.348 -12.602 -8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -24.246 -11.318 -7.754 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -24.305 -12.871 -6.888 1.00 0.00 H new ATOM 1112 N SER A 74 -28.027 -12.845 -6.886 1.00 0.00 N ATOM 1113 CA SER A 74 -29.027 -13.868 -6.607 1.00 0.00 C ATOM 1114 C SER A 74 -29.430 -14.598 -7.885 1.00 0.00 C ATOM 1115 O SER A 74 -29.841 -13.976 -8.865 1.00 0.00 O ATOM 1116 CB SER A 74 -30.261 -13.241 -5.955 1.00 0.00 C ATOM 1117 OG SER A 74 -30.808 -12.222 -6.773 1.00 0.00 O ATOM 0 H SER A 74 -28.230 -12.269 -7.703 1.00 0.00 H new ATOM 0 HA SER A 74 -28.588 -14.591 -5.919 1.00 0.00 H new ATOM 0 HB2 SER A 74 -31.012 -14.010 -5.776 1.00 0.00 H new ATOM 0 HB3 SER A 74 -29.992 -12.826 -4.984 1.00 0.00 H new ATOM 0 HG SER A 74 -31.113 -12.610 -7.619 1.00 0.00 H new ATOM 1123 N ARG A 75 -29.307 -15.921 -7.867 1.00 0.00 N ATOM 1124 CA ARG A 75 -29.656 -16.736 -9.025 1.00 0.00 C ATOM 1125 C ARG A 75 -31.038 -16.365 -9.555 1.00 0.00 C ATOM 1126 O ARG A 75 -31.374 -16.659 -10.701 1.00 0.00 O ATOM 1127 CB ARG A 75 -29.621 -18.221 -8.658 1.00 0.00 C ATOM 1128 CG ARG A 75 -30.611 -18.604 -7.570 1.00 0.00 C ATOM 1129 CD ARG A 75 -29.995 -18.473 -6.186 1.00 0.00 C ATOM 1130 NE ARG A 75 -30.650 -19.340 -5.211 1.00 0.00 N ATOM 1131 CZ ARG A 75 -31.804 -19.045 -4.623 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -32.427 -17.910 -4.910 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -32.338 -19.885 -3.746 1.00 0.00 N ATOM 0 H ARG A 75 -28.969 -16.451 -7.064 1.00 0.00 H new ATOM 0 HA ARG A 75 -28.922 -16.544 -9.808 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -29.828 -18.812 -9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -28.615 -18.482 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -31.493 -17.967 -7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -30.945 -19.630 -7.725 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -28.935 -18.720 -6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -30.065 -17.437 -5.855 1.00 0.00 H new ATOM 0 HE ARG A 75 -30.197 -20.221 -4.968 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -32.020 -17.261 -5.584 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -33.313 -17.686 -4.457 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -31.862 -20.759 -3.522 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -33.224 -19.657 -3.296 1.00 0.00 H new ATOM 1147 N ASN A 76 -31.835 -15.716 -8.711 1.00 0.00 N ATOM 1148 CA ASN A 76 -33.181 -15.305 -9.094 1.00 0.00 C ATOM 1149 C ASN A 76 -33.286 -13.785 -9.163 1.00 0.00 C ATOM 1150 O ASN A 76 -32.506 -13.069 -8.536 1.00 0.00 O ATOM 1151 CB ASN A 76 -34.207 -15.854 -8.101 1.00 0.00 C ATOM 1152 CG ASN A 76 -34.636 -17.270 -8.437 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -34.221 -18.228 -7.785 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -35.473 -17.407 -9.459 1.00 0.00 N ATOM 0 H ASN A 76 -31.572 -15.464 -7.758 1.00 0.00 H new ATOM 0 HA ASN A 76 -33.390 -15.711 -10.083 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -33.784 -15.834 -7.097 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -35.082 -15.205 -8.091 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -35.798 -18.335 -9.731 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -35.791 -16.584 -9.971 1.00 0.00 H new ATOM 1161 N SER A 77 -34.257 -13.299 -9.930 1.00 0.00 N ATOM 1162 CA SER A 77 -34.464 -11.863 -10.083 1.00 0.00 C ATOM 1163 C SER A 77 -35.204 -11.289 -8.879 1.00 0.00 C ATOM 1164 O SER A 77 -34.725 -10.361 -8.227 1.00 0.00 O ATOM 1165 CB SER A 77 -35.248 -11.574 -11.364 1.00 0.00 C ATOM 1166 OG SER A 77 -36.493 -12.251 -11.364 1.00 0.00 O ATOM 0 H SER A 77 -34.912 -13.878 -10.455 1.00 0.00 H new ATOM 0 HA SER A 77 -33.487 -11.385 -10.148 1.00 0.00 H new ATOM 0 HB2 SER A 77 -35.414 -10.501 -11.458 1.00 0.00 H new ATOM 0 HB3 SER A 77 -34.663 -11.883 -12.230 1.00 0.00 H new ATOM 0 HG SER A 77 -36.975 -12.048 -12.193 1.00 0.00 H new ATOM 1172 N SER A 78 -36.375 -11.848 -8.591 1.00 0.00 N ATOM 1173 CA SER A 78 -37.185 -11.390 -7.468 1.00 0.00 C ATOM 1174 C SER A 78 -36.329 -11.210 -6.218 1.00 0.00 C ATOM 1175 O SER A 78 -36.486 -10.238 -5.480 1.00 0.00 O ATOM 1176 CB SER A 78 -38.315 -12.382 -7.188 1.00 0.00 C ATOM 1177 OG SER A 78 -37.807 -13.600 -6.672 1.00 0.00 O ATOM 0 H SER A 78 -36.784 -12.619 -9.120 1.00 0.00 H new ATOM 0 HA SER A 78 -37.617 -10.425 -7.734 1.00 0.00 H new ATOM 0 HB2 SER A 78 -39.017 -11.947 -6.477 1.00 0.00 H new ATOM 0 HB3 SER A 78 -38.869 -12.575 -8.106 1.00 0.00 H new ATOM 0 HG SER A 78 -38.549 -14.217 -6.500 1.00 0.00 H new ATOM 1183 N GLN A 79 -35.423 -12.156 -5.988 1.00 0.00 N ATOM 1184 CA GLN A 79 -34.542 -12.104 -4.828 1.00 0.00 C ATOM 1185 C GLN A 79 -33.784 -10.781 -4.779 1.00 0.00 C ATOM 1186 O GLN A 79 -33.657 -10.165 -3.720 1.00 0.00 O ATOM 1187 CB GLN A 79 -33.554 -13.271 -4.858 1.00 0.00 C ATOM 1188 CG GLN A 79 -34.193 -14.616 -4.552 1.00 0.00 C ATOM 1189 CD GLN A 79 -34.328 -14.874 -3.064 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -33.433 -14.549 -2.283 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -35.450 -15.460 -2.664 1.00 0.00 N ATOM 0 H GLN A 79 -35.281 -12.967 -6.590 1.00 0.00 H new ATOM 0 HA GLN A 79 -35.158 -12.182 -3.932 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -33.087 -13.315 -5.842 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -32.760 -13.083 -4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -35.179 -14.659 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -33.595 -15.409 -5.001 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -36.165 -15.712 -3.346 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -35.597 -15.658 -1.674 1.00 0.00 H new ATOM 1200 N LEU A 80 -33.281 -10.351 -5.931 1.00 0.00 N ATOM 1201 CA LEU A 80 -32.534 -9.101 -6.020 1.00 0.00 C ATOM 1202 C LEU A 80 -33.440 -7.905 -5.747 1.00 0.00 C ATOM 1203 O LEU A 80 -33.063 -6.977 -5.030 1.00 0.00 O ATOM 1204 CB LEU A 80 -31.893 -8.965 -7.403 1.00 0.00 C ATOM 1205 CG LEU A 80 -31.295 -7.597 -7.733 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -29.850 -7.519 -7.266 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -31.391 -7.320 -9.226 1.00 0.00 C ATOM 0 H LEU A 80 -33.377 -10.849 -6.816 1.00 0.00 H new ATOM 0 HA LEU A 80 -31.750 -9.120 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -31.106 -9.714 -7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -32.646 -9.202 -8.155 1.00 0.00 H new ATOM 0 HG LEU A 80 -31.867 -6.834 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -29.441 -6.538 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -29.807 -7.672 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -29.264 -8.290 -7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -30.961 -6.342 -9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -30.844 -8.087 -9.774 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -32.437 -7.332 -9.532 1.00 0.00 H new ATOM 1219 N THR A 81 -34.639 -7.933 -6.321 1.00 0.00 N ATOM 1220 CA THR A 81 -35.599 -6.852 -6.139 1.00 0.00 C ATOM 1221 C THR A 81 -35.832 -6.567 -4.660 1.00 0.00 C ATOM 1222 O THR A 81 -35.807 -5.414 -4.228 1.00 0.00 O ATOM 1223 CB THR A 81 -36.949 -7.182 -6.805 1.00 0.00 C ATOM 1224 OG1 THR A 81 -36.749 -7.498 -8.187 1.00 0.00 O ATOM 1225 CG2 THR A 81 -37.913 -6.012 -6.681 1.00 0.00 C ATOM 0 H THR A 81 -34.968 -8.693 -6.916 1.00 0.00 H new ATOM 0 HA THR A 81 -35.174 -5.968 -6.614 1.00 0.00 H new ATOM 0 HB THR A 81 -37.380 -8.043 -6.295 1.00 0.00 H new ATOM 0 HG1 THR A 81 -37.611 -7.708 -8.603 1.00 0.00 H new ATOM 0 HG21 THR A 81 -38.859 -6.268 -7.158 1.00 0.00 H new ATOM 0 HG22 THR A 81 -38.086 -5.793 -5.627 1.00 0.00 H new ATOM 0 HG23 THR A 81 -37.486 -5.136 -7.169 1.00 0.00 H new ATOM 1233 N VAL A 82 -36.057 -7.624 -3.886 1.00 0.00 N ATOM 1234 CA VAL A 82 -36.293 -7.487 -2.454 1.00 0.00 C ATOM 1235 C VAL A 82 -35.020 -7.071 -1.725 1.00 0.00 C ATOM 1236 O VAL A 82 -35.069 -6.348 -0.729 1.00 0.00 O ATOM 1237 CB VAL A 82 -36.815 -8.800 -1.842 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -36.998 -8.654 -0.339 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -38.118 -9.216 -2.509 1.00 0.00 C ATOM 0 H VAL A 82 -36.081 -8.585 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 82 -37.050 -6.712 -2.331 1.00 0.00 H new ATOM 0 HB VAL A 82 -36.077 -9.582 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -37.367 -9.592 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -36.042 -8.405 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -37.716 -7.860 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -38.473 -10.146 -2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -38.866 -8.436 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -37.950 -9.365 -3.576 1.00 0.00 H new ATOM 1249 N HIS A 83 -33.879 -7.531 -2.229 1.00 0.00 N ATOM 1250 CA HIS A 83 -32.591 -7.206 -1.626 1.00 0.00 C ATOM 1251 C HIS A 83 -32.307 -5.710 -1.726 1.00 0.00 C ATOM 1252 O HIS A 83 -31.877 -5.083 -0.757 1.00 0.00 O ATOM 1253 CB HIS A 83 -31.472 -7.996 -2.306 1.00 0.00 C ATOM 1254 CG HIS A 83 -30.153 -7.286 -2.308 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -29.126 -7.604 -1.444 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -29.696 -6.269 -3.075 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -28.095 -6.813 -1.680 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -28.415 -5.994 -2.666 1.00 0.00 N ATOM 0 H HIS A 83 -33.820 -8.130 -3.053 1.00 0.00 H new ATOM 0 HA HIS A 83 -32.631 -7.481 -0.572 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -31.358 -8.956 -1.802 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -31.762 -8.209 -3.335 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -29.158 -8.336 -0.734 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -30.238 -5.767 -3.863 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -27.151 -6.832 -1.156 1.00 0.00 H new ATOM 1266 N LEU A 84 -32.549 -5.144 -2.904 1.00 0.00 N ATOM 1267 CA LEU A 84 -32.318 -3.722 -3.131 1.00 0.00 C ATOM 1268 C LEU A 84 -32.846 -2.892 -1.965 1.00 0.00 C ATOM 1269 O LEU A 84 -32.124 -2.071 -1.398 1.00 0.00 O ATOM 1270 CB LEU A 84 -32.988 -3.278 -4.433 1.00 0.00 C ATOM 1271 CG LEU A 84 -32.181 -3.501 -5.712 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -33.089 -3.451 -6.931 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -31.070 -2.468 -5.830 1.00 0.00 C ATOM 0 H LEU A 84 -32.905 -5.648 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 84 -31.243 -3.561 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -33.937 -3.806 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -33.221 -2.216 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 84 -31.726 -4.490 -5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -32.497 -3.612 -7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -33.848 -4.229 -6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -33.573 -2.476 -6.984 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -30.506 -2.643 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -31.504 -1.468 -5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -30.403 -2.552 -4.972 1.00 0.00 H new ATOM 1285 N ARG A 85 -34.108 -3.112 -1.612 1.00 0.00 N ATOM 1286 CA ARG A 85 -34.732 -2.385 -0.513 1.00 0.00 C ATOM 1287 C ARG A 85 -33.752 -2.198 0.641 1.00 0.00 C ATOM 1288 O ARG A 85 -33.618 -1.100 1.182 1.00 0.00 O ATOM 1289 CB ARG A 85 -35.977 -3.128 -0.024 1.00 0.00 C ATOM 1290 CG ARG A 85 -37.240 -2.770 -0.790 1.00 0.00 C ATOM 1291 CD ARG A 85 -37.374 -3.597 -2.060 1.00 0.00 C ATOM 1292 NE ARG A 85 -38.433 -3.095 -2.931 1.00 0.00 N ATOM 1293 CZ ARG A 85 -39.728 -3.279 -2.695 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -40.120 -3.950 -1.621 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -40.632 -2.791 -3.534 1.00 0.00 N ATOM 0 H ARG A 85 -34.719 -3.788 -2.071 1.00 0.00 H new ATOM 0 HA ARG A 85 -35.025 -1.402 -0.881 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -35.805 -4.201 -0.106 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -36.129 -2.909 1.033 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -38.111 -2.933 -0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -37.225 -1.710 -1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -36.427 -3.589 -2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -37.582 -4.634 -1.797 1.00 0.00 H new ATOM 0 HE ARG A 85 -38.164 -2.575 -3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -39.427 -4.326 -0.974 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -41.114 -4.090 -1.442 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -40.334 -2.274 -4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -41.626 -2.933 -3.352 1.00 0.00 H new ATOM 1309 N SER A 86 -33.069 -3.276 1.012 1.00 0.00 N ATOM 1310 CA SER A 86 -32.105 -3.232 2.104 1.00 0.00 C ATOM 1311 C SER A 86 -31.279 -1.950 2.049 1.00 0.00 C ATOM 1312 O SER A 86 -31.036 -1.310 3.072 1.00 0.00 O ATOM 1313 CB SER A 86 -31.181 -4.450 2.047 1.00 0.00 C ATOM 1314 OG SER A 86 -31.889 -5.641 2.343 1.00 0.00 O ATOM 0 H SER A 86 -33.166 -4.191 0.572 1.00 0.00 H new ATOM 0 HA SER A 86 -32.657 -3.248 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 86 -30.734 -4.526 1.056 1.00 0.00 H new ATOM 0 HB3 SER A 86 -30.363 -4.324 2.756 1.00 0.00 H new ATOM 0 HG SER A 86 -31.277 -6.405 2.298 1.00 0.00 H new ATOM 1320 N HIS A 87 -30.851 -1.582 0.845 1.00 0.00 N ATOM 1321 CA HIS A 87 -30.052 -0.376 0.654 1.00 0.00 C ATOM 1322 C HIS A 87 -30.891 0.875 0.900 1.00 0.00 C ATOM 1323 O HIS A 87 -31.419 1.476 -0.037 1.00 0.00 O ATOM 1324 CB HIS A 87 -29.469 -0.344 -0.758 1.00 0.00 C ATOM 1325 CG HIS A 87 -28.417 -1.383 -0.995 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -27.273 -1.484 -0.232 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -28.340 -2.372 -1.917 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -26.538 -2.489 -0.674 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -27.164 -3.044 -1.696 1.00 0.00 N ATOM 0 H HIS A 87 -31.044 -2.101 -0.012 1.00 0.00 H new ATOM 0 HA HIS A 87 -29.235 -0.392 1.375 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -30.275 -0.484 -1.478 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -29.043 0.642 -0.944 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -27.032 -0.877 0.552 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -29.069 -2.591 -2.684 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -25.587 -2.803 -0.269 1.00 0.00 H new ATOM 1337 N THR A 88 -31.010 1.263 2.166 1.00 0.00 N ATOM 1338 CA THR A 88 -31.785 2.441 2.534 1.00 0.00 C ATOM 1339 C THR A 88 -31.018 3.319 3.516 1.00 0.00 C ATOM 1340 O THR A 88 -30.586 2.857 4.571 1.00 0.00 O ATOM 1341 CB THR A 88 -33.137 2.050 3.161 1.00 0.00 C ATOM 1342 OG1 THR A 88 -33.882 3.227 3.493 1.00 0.00 O ATOM 1343 CG2 THR A 88 -32.930 1.206 4.410 1.00 0.00 C ATOM 0 H THR A 88 -30.579 0.778 2.953 1.00 0.00 H new ATOM 0 HA THR A 88 -31.966 3.000 1.616 1.00 0.00 H new ATOM 0 HB THR A 88 -33.694 1.462 2.432 1.00 0.00 H new ATOM 0 HG1 THR A 88 -34.741 2.970 3.889 1.00 0.00 H new ATOM 0 HG21 THR A 88 -33.898 0.942 4.835 1.00 0.00 H new ATOM 0 HG22 THR A 88 -32.388 0.297 4.149 1.00 0.00 H new ATOM 0 HG23 THR A 88 -32.355 1.774 5.142 1.00 0.00 H new ATOM 1351 N GLY A 89 -30.852 4.590 3.161 1.00 0.00 N ATOM 1352 CA GLY A 89 -30.137 5.513 4.022 1.00 0.00 C ATOM 1353 C GLY A 89 -28.789 4.974 4.458 1.00 0.00 C ATOM 1354 O GLY A 89 -28.560 4.741 5.645 1.00 0.00 O ATOM 0 H GLY A 89 -31.200 4.996 2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -29.995 6.458 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -30.742 5.726 4.903 1.00 0.00 H new ATOM 1358 N ASP A 90 -27.895 4.773 3.496 1.00 0.00 N ATOM 1359 CA ASP A 90 -26.562 4.257 3.786 1.00 0.00 C ATOM 1360 C ASP A 90 -25.500 5.029 3.010 1.00 0.00 C ATOM 1361 O ASP A 90 -25.817 5.809 2.112 1.00 0.00 O ATOM 1362 CB ASP A 90 -26.482 2.769 3.441 1.00 0.00 C ATOM 1363 CG ASP A 90 -25.154 2.154 3.835 1.00 0.00 C ATOM 1364 OD1 ASP A 90 -24.902 2.015 5.050 1.00 0.00 O ATOM 1365 OD2 ASP A 90 -24.366 1.812 2.929 1.00 0.00 O ATOM 0 H ASP A 90 -28.069 4.960 2.508 1.00 0.00 H new ATOM 0 HA ASP A 90 -26.373 4.386 4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -27.289 2.238 3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -26.636 2.639 2.370 1.00 0.00 H new ATOM 1370 N SER A 91 -24.238 4.808 3.364 1.00 0.00 N ATOM 1371 CA SER A 91 -23.128 5.487 2.705 1.00 0.00 C ATOM 1372 C SER A 91 -22.331 4.513 1.843 1.00 0.00 C ATOM 1373 O SER A 91 -21.101 4.545 1.826 1.00 0.00 O ATOM 1374 CB SER A 91 -22.211 6.137 3.743 1.00 0.00 C ATOM 1375 OG SER A 91 -21.403 5.167 4.387 1.00 0.00 O ATOM 0 H SER A 91 -23.958 4.164 4.104 1.00 0.00 H new ATOM 0 HA SER A 91 -23.540 6.263 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 91 -21.577 6.880 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 91 -22.811 6.665 4.484 1.00 0.00 H new ATOM 0 HG SER A 91 -20.896 4.665 3.715 1.00 0.00 H new ATOM 1381 N GLY A 92 -23.041 3.646 1.128 1.00 0.00 N ATOM 1382 CA GLY A 92 -22.384 2.675 0.273 1.00 0.00 C ATOM 1383 C GLY A 92 -21.144 2.084 0.914 1.00 0.00 C ATOM 1384 O GLY A 92 -20.979 2.106 2.134 1.00 0.00 O ATOM 0 H GLY A 92 -24.060 3.599 1.126 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -23.083 1.874 0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -22.111 3.151 -0.669 1.00 0.00 H new ATOM 1388 N PRO A 93 -20.245 1.539 0.081 1.00 0.00 N ATOM 1389 CA PRO A 93 -18.998 0.928 0.551 1.00 0.00 C ATOM 1390 C PRO A 93 -18.015 1.961 1.093 1.00 0.00 C ATOM 1391 O PRO A 93 -18.306 3.157 1.115 1.00 0.00 O ATOM 1392 CB PRO A 93 -18.434 0.261 -0.705 1.00 0.00 C ATOM 1393 CG PRO A 93 -19.012 1.037 -1.838 1.00 0.00 C ATOM 1394 CD PRO A 93 -20.376 1.478 -1.384 1.00 0.00 C ATOM 0 HA PRO A 93 -19.169 0.237 1.377 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -17.345 0.296 -0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.720 -0.789 -0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -18.386 1.895 -2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -19.079 0.424 -2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -20.645 2.447 -1.804 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -21.149 0.772 -1.689 1.00 0.00 H new ATOM 1402 N SER A 94 -16.851 1.491 1.529 1.00 0.00 N ATOM 1403 CA SER A 94 -15.826 2.374 2.074 1.00 0.00 C ATOM 1404 C SER A 94 -15.048 3.059 0.955 1.00 0.00 C ATOM 1405 O SER A 94 -14.514 2.401 0.062 1.00 0.00 O ATOM 1406 CB SER A 94 -14.867 1.586 2.969 1.00 0.00 C ATOM 1407 OG SER A 94 -13.983 2.453 3.658 1.00 0.00 O ATOM 0 H SER A 94 -16.594 0.504 1.516 1.00 0.00 H new ATOM 0 HA SER A 94 -16.321 3.140 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 94 -15.437 0.997 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 94 -14.294 0.884 2.364 1.00 0.00 H new ATOM 0 HG SER A 94 -13.382 1.925 4.224 1.00 0.00 H new ATOM 1413 N SER A 95 -14.988 4.386 1.011 1.00 0.00 N ATOM 1414 CA SER A 95 -14.279 5.162 0.001 1.00 0.00 C ATOM 1415 C SER A 95 -12.769 5.047 0.188 1.00 0.00 C ATOM 1416 O SER A 95 -12.031 4.799 -0.765 1.00 0.00 O ATOM 1417 CB SER A 95 -14.702 6.631 0.066 1.00 0.00 C ATOM 1418 OG SER A 95 -14.483 7.168 1.359 1.00 0.00 O ATOM 0 H SER A 95 -15.422 4.946 1.745 1.00 0.00 H new ATOM 0 HA SER A 95 -14.538 4.760 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 95 -14.141 7.207 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 95 -15.757 6.721 -0.195 1.00 0.00 H new ATOM 0 HG SER A 95 -14.760 8.108 1.374 1.00 0.00 H new ATOM 1424 N GLY A 96 -12.317 5.230 1.425 1.00 0.00 N ATOM 1425 CA GLY A 96 -10.898 5.143 1.716 1.00 0.00 C ATOM 1426 C GLY A 96 -10.607 5.197 3.203 1.00 0.00 C ATOM 1427 O GLY A 96 -10.619 4.153 3.854 1.00 0.00 O ATOM 0 H GLY A 96 -12.908 5.437 2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.502 4.214 1.305 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.377 5.960 1.217 1.00 0.00 H new TER 1431 GLY A 96 HETATM 1432 ZN ZN A 191 8.559 -12.170 -8.659 1.00 0.00 ZN HETATM 1433 ZN ZN A 241 -8.255 -16.137 -5.348 1.00 0.00 ZN HETATM 1434 ZN ZN A 291 -26.964 -4.503 -2.957 1.00 0.00 ZN