USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 523 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 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 55 SER OG : rot -129:sc= 0.0552 USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.876 USER MOD Set 1.3: A 65 LYS NZ :NH3+ 161:sc= 0.0104 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0572 (180deg=0) USER MOD Single : A 2 SER OG : rot -7:sc= 1.02 USER MOD Single : A 3 SER OG : rot 24:sc= 1.19 USER MOD Single : A 5 SER OG : rot 39:sc= 0.331 USER MOD Single : A 6 SER OG : rot 39:sc= 0.513 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 42:sc= 0.391 USER MOD Single : A 11 SER OG : rot 43:sc= 0.384 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 13 SER OG : rot 12:sc= 0.361 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -1.89! C(o=-1.9!,f=-2.5!) USER MOD Single : A 30 MET CE :methyl 171:sc= -1.43 (180deg=-1.82) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -21:sc= 0.969 USER MOD Single : A 46 ASN : amide:sc= -2.35 X(o=-2.4,f=-2.4) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -14.3! C(o=-14!,f=-21!) USER MOD Single : A 59 ASN : amide:sc= -2.24! K(o=-2.2!,f=-0.14) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.158 25.971 -11.417 1.00 0.00 N ATOM 2 CA GLY A 1 -23.030 25.062 -11.334 1.00 0.00 C ATOM 3 C GLY A 1 -22.019 25.486 -10.287 1.00 0.00 C ATOM 4 O GLY A 1 -22.342 26.248 -9.375 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.038 25.425 -11.513 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.202 26.549 -10.554 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.044 26.591 -12.244 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.391 24.060 -11.101 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.540 25.006 -12.306 1.00 0.00 H new ATOM 8 N SER A 2 -20.793 24.991 -10.415 1.00 0.00 N ATOM 9 CA SER A 2 -19.733 25.318 -9.469 1.00 0.00 C ATOM 10 C SER A 2 -18.360 25.041 -10.074 1.00 0.00 C ATOM 11 O SER A 2 -18.017 23.895 -10.364 1.00 0.00 O ATOM 12 CB SER A 2 -19.906 24.515 -8.179 1.00 0.00 C ATOM 13 OG SER A 2 -21.053 24.939 -7.464 1.00 0.00 O ATOM 0 H SER A 2 -20.509 24.361 -11.165 1.00 0.00 H new ATOM 0 HA SER A 2 -19.801 26.381 -9.238 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.993 23.455 -8.416 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.021 24.630 -7.554 1.00 0.00 H new ATOM 0 HG SER A 2 -21.433 25.732 -7.896 1.00 0.00 H new ATOM 19 N SER A 3 -17.578 26.100 -10.262 1.00 0.00 N ATOM 20 CA SER A 3 -16.244 25.973 -10.835 1.00 0.00 C ATOM 21 C SER A 3 -15.439 27.252 -10.628 1.00 0.00 C ATOM 22 O SER A 3 -15.999 28.314 -10.359 1.00 0.00 O ATOM 23 CB SER A 3 -16.336 25.651 -12.328 1.00 0.00 C ATOM 24 OG SER A 3 -16.510 24.261 -12.540 1.00 0.00 O ATOM 0 H SER A 3 -17.846 27.055 -10.026 1.00 0.00 H new ATOM 0 HA SER A 3 -15.733 25.157 -10.325 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.170 26.197 -12.770 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.431 25.988 -12.832 1.00 0.00 H new ATOM 0 HG SER A 3 -16.908 23.856 -11.741 1.00 0.00 H new ATOM 30 N GLY A 4 -14.120 27.142 -10.756 1.00 0.00 N ATOM 31 CA GLY A 4 -13.258 28.297 -10.580 1.00 0.00 C ATOM 32 C GLY A 4 -11.789 27.927 -10.569 1.00 0.00 C ATOM 33 O GLY A 4 -11.059 28.283 -9.644 1.00 0.00 O ATOM 0 H GLY A 4 -13.633 26.274 -10.978 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.444 29.011 -11.383 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.511 28.796 -9.645 1.00 0.00 H new ATOM 37 N SER A 5 -11.353 27.209 -11.600 1.00 0.00 N ATOM 38 CA SER A 5 -9.961 26.785 -11.702 1.00 0.00 C ATOM 39 C SER A 5 -9.492 26.808 -13.154 1.00 0.00 C ATOM 40 O SER A 5 -10.030 26.097 -14.003 1.00 0.00 O ATOM 41 CB SER A 5 -9.789 25.381 -11.121 1.00 0.00 C ATOM 42 OG SER A 5 -10.625 24.448 -11.784 1.00 0.00 O ATOM 0 H SER A 5 -11.943 26.909 -12.376 1.00 0.00 H new ATOM 0 HA SER A 5 -9.351 27.484 -11.130 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.748 25.071 -11.213 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.025 25.393 -10.057 1.00 0.00 H new ATOM 0 HG SER A 5 -10.649 24.654 -12.742 1.00 0.00 H new ATOM 48 N SER A 6 -8.486 27.631 -13.431 1.00 0.00 N ATOM 49 CA SER A 6 -7.946 27.751 -14.780 1.00 0.00 C ATOM 50 C SER A 6 -6.715 28.652 -14.795 1.00 0.00 C ATOM 51 O SER A 6 -6.810 29.856 -14.559 1.00 0.00 O ATOM 52 CB SER A 6 -9.009 28.305 -15.731 1.00 0.00 C ATOM 53 OG SER A 6 -9.492 29.559 -15.281 1.00 0.00 O ATOM 0 H SER A 6 -8.028 28.225 -12.739 1.00 0.00 H new ATOM 0 HA SER A 6 -7.651 26.757 -15.116 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.587 28.412 -16.730 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.836 27.599 -15.808 1.00 0.00 H new ATOM 0 HG SER A 6 -8.749 30.085 -14.918 1.00 0.00 H new ATOM 59 N GLY A 7 -5.558 28.059 -15.074 1.00 0.00 N ATOM 60 CA GLY A 7 -4.324 28.822 -15.115 1.00 0.00 C ATOM 61 C GLY A 7 -3.876 29.273 -13.738 1.00 0.00 C ATOM 62 O GLY A 7 -4.555 29.048 -12.736 1.00 0.00 O ATOM 0 H GLY A 7 -5.453 27.064 -15.272 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.540 28.215 -15.568 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.461 29.695 -15.753 1.00 0.00 H new ATOM 66 N PRO A 8 -2.705 29.924 -13.677 1.00 0.00 N ATOM 67 CA PRO A 8 -1.888 30.197 -14.863 1.00 0.00 C ATOM 68 C PRO A 8 -1.265 28.931 -15.442 1.00 0.00 C ATOM 69 O PRO A 8 -0.745 28.092 -14.707 1.00 0.00 O ATOM 70 CB PRO A 8 -0.800 31.136 -14.336 1.00 0.00 C ATOM 71 CG PRO A 8 -0.700 30.822 -12.883 1.00 0.00 C ATOM 72 CD PRO A 8 -2.088 30.444 -12.445 1.00 0.00 C ATOM 0 HA PRO A 8 -2.478 30.620 -15.676 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.149 30.966 -14.844 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.066 32.181 -14.498 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.001 30.006 -12.707 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.334 31.682 -12.322 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.070 29.692 -11.656 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.634 31.303 -12.054 1.00 0.00 H new ATOM 80 N SER A 9 -1.321 28.801 -16.763 1.00 0.00 N ATOM 81 CA SER A 9 -0.765 27.635 -17.441 1.00 0.00 C ATOM 82 C SER A 9 0.672 27.896 -17.881 1.00 0.00 C ATOM 83 O SER A 9 0.914 28.597 -18.863 1.00 0.00 O ATOM 84 CB SER A 9 -1.623 27.266 -18.653 1.00 0.00 C ATOM 85 OG SER A 9 -2.859 26.701 -18.250 1.00 0.00 O ATOM 0 H SER A 9 -1.746 29.488 -17.386 1.00 0.00 H new ATOM 0 HA SER A 9 -0.765 26.802 -16.738 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.806 28.155 -19.257 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.084 26.558 -19.282 1.00 0.00 H new ATOM 0 HG SER A 9 -3.389 26.475 -19.043 1.00 0.00 H new ATOM 91 N SER A 10 1.622 27.327 -17.146 1.00 0.00 N ATOM 92 CA SER A 10 3.036 27.501 -17.457 1.00 0.00 C ATOM 93 C SER A 10 3.716 26.152 -17.666 1.00 0.00 C ATOM 94 O SER A 10 4.201 25.535 -16.718 1.00 0.00 O ATOM 95 CB SER A 10 3.736 28.270 -16.334 1.00 0.00 C ATOM 96 OG SER A 10 3.487 27.671 -15.074 1.00 0.00 O ATOM 0 H SER A 10 1.438 26.742 -16.331 1.00 0.00 H new ATOM 0 HA SER A 10 3.112 28.073 -18.382 1.00 0.00 H new ATOM 0 HB2 SER A 10 4.809 28.297 -16.522 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.388 29.303 -16.324 1.00 0.00 H new ATOM 0 HG SER A 10 3.553 26.697 -15.156 1.00 0.00 H new ATOM 102 N SER A 11 3.748 25.700 -18.916 1.00 0.00 N ATOM 103 CA SER A 11 4.365 24.422 -19.251 1.00 0.00 C ATOM 104 C SER A 11 5.398 24.591 -20.361 1.00 0.00 C ATOM 105 O SER A 11 5.110 24.350 -21.532 1.00 0.00 O ATOM 106 CB SER A 11 3.298 23.414 -19.681 1.00 0.00 C ATOM 107 OG SER A 11 2.491 23.938 -20.721 1.00 0.00 O ATOM 0 H SER A 11 3.354 26.200 -19.713 1.00 0.00 H new ATOM 0 HA SER A 11 4.872 24.047 -18.362 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.777 22.494 -20.016 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.673 23.155 -18.827 1.00 0.00 H new ATOM 0 HG SER A 11 3.058 24.397 -21.375 1.00 0.00 H new ATOM 113 N GLN A 12 6.601 25.009 -19.981 1.00 0.00 N ATOM 114 CA GLN A 12 7.677 25.212 -20.944 1.00 0.00 C ATOM 115 C GLN A 12 8.998 25.491 -20.234 1.00 0.00 C ATOM 116 O GLN A 12 9.083 26.379 -19.386 1.00 0.00 O ATOM 117 CB GLN A 12 7.337 26.369 -21.885 1.00 0.00 C ATOM 118 CG GLN A 12 7.199 27.707 -21.179 1.00 0.00 C ATOM 119 CD GLN A 12 6.926 28.849 -22.138 1.00 0.00 C ATOM 120 OE1 GLN A 12 6.193 28.692 -23.115 1.00 0.00 O ATOM 121 NE2 GLN A 12 7.515 30.007 -21.865 1.00 0.00 N ATOM 0 H GLN A 12 6.855 25.213 -19.015 1.00 0.00 H new ATOM 0 HA GLN A 12 7.785 24.298 -21.528 1.00 0.00 H new ATOM 0 HB2 GLN A 12 8.114 26.448 -22.646 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.405 26.143 -22.403 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.390 27.648 -20.451 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.113 27.916 -20.623 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.115 30.093 -21.045 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.368 30.811 -22.476 1.00 0.00 H new ATOM 130 N SER A 13 10.026 24.725 -20.586 1.00 0.00 N ATOM 131 CA SER A 13 11.342 24.887 -19.979 1.00 0.00 C ATOM 132 C SER A 13 12.396 24.093 -20.745 1.00 0.00 C ATOM 133 O SER A 13 12.230 22.899 -20.991 1.00 0.00 O ATOM 134 CB SER A 13 11.312 24.437 -18.517 1.00 0.00 C ATOM 135 OG SER A 13 11.235 23.025 -18.419 1.00 0.00 O ATOM 0 H SER A 13 9.973 23.987 -21.288 1.00 0.00 H new ATOM 0 HA SER A 13 11.606 25.944 -20.022 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.207 24.792 -18.006 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.457 24.887 -18.012 1.00 0.00 H new ATOM 0 HG SER A 13 11.408 22.626 -19.297 1.00 0.00 H new ATOM 141 N GLU A 14 13.478 24.767 -21.121 1.00 0.00 N ATOM 142 CA GLU A 14 14.559 24.124 -21.860 1.00 0.00 C ATOM 143 C GLU A 14 15.847 24.113 -21.042 1.00 0.00 C ATOM 144 O GLU A 14 16.706 24.978 -21.207 1.00 0.00 O ATOM 145 CB GLU A 14 14.793 24.843 -23.191 1.00 0.00 C ATOM 146 CG GLU A 14 14.846 26.356 -23.064 1.00 0.00 C ATOM 147 CD GLU A 14 13.472 26.995 -23.120 1.00 0.00 C ATOM 148 OE1 GLU A 14 12.646 26.555 -23.947 1.00 0.00 O ATOM 149 OE2 GLU A 14 13.223 27.935 -22.337 1.00 0.00 O ATOM 0 H GLU A 14 13.630 25.757 -20.927 1.00 0.00 H new ATOM 0 HA GLU A 14 14.267 23.093 -22.058 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.728 24.490 -23.625 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.997 24.573 -23.885 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.328 26.621 -22.123 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.464 26.763 -23.864 1.00 0.00 H new ATOM 156 N GLU A 15 15.972 23.126 -20.160 1.00 0.00 N ATOM 157 CA GLU A 15 17.154 23.003 -19.315 1.00 0.00 C ATOM 158 C GLU A 15 17.388 21.549 -18.916 1.00 0.00 C ATOM 159 O GLU A 15 16.678 21.003 -18.071 1.00 0.00 O ATOM 160 CB GLU A 15 17.006 23.870 -18.063 1.00 0.00 C ATOM 161 CG GLU A 15 17.227 25.351 -18.318 1.00 0.00 C ATOM 162 CD GLU A 15 17.704 26.091 -17.083 1.00 0.00 C ATOM 163 OE1 GLU A 15 17.401 25.632 -15.962 1.00 0.00 O ATOM 164 OE2 GLU A 15 18.380 27.130 -17.239 1.00 0.00 O ATOM 0 H GLU A 15 15.270 22.401 -20.012 1.00 0.00 H new ATOM 0 HA GLU A 15 18.016 23.348 -19.887 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.008 23.726 -17.648 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.717 23.530 -17.310 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.960 25.473 -19.116 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.297 25.798 -18.668 1.00 0.00 H new ATOM 171 N LYS A 16 18.389 20.927 -19.530 1.00 0.00 N ATOM 172 CA LYS A 16 18.719 19.537 -19.240 1.00 0.00 C ATOM 173 C LYS A 16 18.627 19.256 -17.744 1.00 0.00 C ATOM 174 O LYS A 16 18.987 20.098 -16.921 1.00 0.00 O ATOM 175 CB LYS A 16 20.126 19.210 -19.745 1.00 0.00 C ATOM 176 CG LYS A 16 21.230 19.642 -18.795 1.00 0.00 C ATOM 177 CD LYS A 16 21.462 21.143 -18.856 1.00 0.00 C ATOM 178 CE LYS A 16 22.271 21.631 -17.664 1.00 0.00 C ATOM 179 NZ LYS A 16 22.012 23.067 -17.369 1.00 0.00 N ATOM 0 H LYS A 16 18.986 21.364 -20.232 1.00 0.00 H new ATOM 0 HA LYS A 16 17.997 18.903 -19.756 1.00 0.00 H new ATOM 0 HB2 LYS A 16 20.202 18.136 -19.912 1.00 0.00 H new ATOM 0 HB3 LYS A 16 20.278 19.694 -20.710 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.968 19.354 -17.777 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.153 19.120 -19.047 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.985 21.394 -19.779 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.503 21.660 -18.882 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.026 21.030 -16.788 1.00 0.00 H new ATOM 0 HE3 LYS A 16 23.333 21.487 -17.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.582 23.361 -16.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 22.270 23.643 -18.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 21.003 23.201 -17.155 1.00 0.00 H new ATOM 193 N ALA A 17 18.144 18.068 -17.398 1.00 0.00 N ATOM 194 CA ALA A 17 18.008 17.675 -16.000 1.00 0.00 C ATOM 195 C ALA A 17 17.695 16.188 -15.876 1.00 0.00 C ATOM 196 O ALA A 17 16.835 15.649 -16.573 1.00 0.00 O ATOM 197 CB ALA A 17 16.925 18.503 -15.323 1.00 0.00 C ATOM 0 H ALA A 17 17.840 17.360 -18.066 1.00 0.00 H new ATOM 0 HA ALA A 17 18.959 17.862 -15.501 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.834 18.200 -14.280 1.00 0.00 H new ATOM 0 HB2 ALA A 17 17.190 19.559 -15.372 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.974 18.344 -15.832 1.00 0.00 H new ATOM 203 N PRO A 18 18.410 15.507 -14.968 1.00 0.00 N ATOM 204 CA PRO A 18 18.226 14.072 -14.731 1.00 0.00 C ATOM 205 C PRO A 18 16.893 13.761 -14.059 1.00 0.00 C ATOM 206 O PRO A 18 16.394 14.549 -13.256 1.00 0.00 O ATOM 207 CB PRO A 18 19.389 13.714 -13.802 1.00 0.00 C ATOM 208 CG PRO A 18 19.727 14.989 -13.109 1.00 0.00 C ATOM 209 CD PRO A 18 19.451 16.085 -14.102 1.00 0.00 C ATOM 0 HA PRO A 18 18.214 13.504 -15.661 1.00 0.00 H new ATOM 0 HB2 PRO A 18 19.103 12.940 -13.090 1.00 0.00 H new ATOM 0 HB3 PRO A 18 20.241 13.331 -14.364 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.124 15.116 -12.210 1.00 0.00 H new ATOM 0 HG3 PRO A 18 20.771 14.999 -12.797 1.00 0.00 H new ATOM 0 HD2 PRO A 18 19.105 16.995 -13.611 1.00 0.00 H new ATOM 0 HD3 PRO A 18 20.344 16.348 -14.668 1.00 0.00 H new ATOM 217 N GLU A 19 16.322 12.608 -14.393 1.00 0.00 N ATOM 218 CA GLU A 19 15.046 12.194 -13.821 1.00 0.00 C ATOM 219 C GLU A 19 15.217 10.956 -12.946 1.00 0.00 C ATOM 220 O GLU A 19 16.059 10.100 -13.220 1.00 0.00 O ATOM 221 CB GLU A 19 14.032 11.911 -14.932 1.00 0.00 C ATOM 222 CG GLU A 19 14.376 10.692 -15.773 1.00 0.00 C ATOM 223 CD GLU A 19 14.219 9.393 -15.008 1.00 0.00 C ATOM 224 OE1 GLU A 19 13.263 9.284 -14.212 1.00 0.00 O ATOM 225 OE2 GLU A 19 15.053 8.484 -15.204 1.00 0.00 O ATOM 0 H GLU A 19 16.722 11.944 -15.056 1.00 0.00 H new ATOM 0 HA GLU A 19 14.675 13.008 -13.199 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.047 11.769 -14.486 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.965 12.783 -15.582 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.735 10.670 -16.654 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.403 10.778 -16.128 1.00 0.00 H new ATOM 232 N LEU A 20 14.414 10.869 -11.891 1.00 0.00 N ATOM 233 CA LEU A 20 14.477 9.737 -10.974 1.00 0.00 C ATOM 234 C LEU A 20 13.349 8.747 -11.253 1.00 0.00 C ATOM 235 O LEU A 20 12.265 9.115 -11.705 1.00 0.00 O ATOM 236 CB LEU A 20 14.397 10.223 -9.526 1.00 0.00 C ATOM 237 CG LEU A 20 15.632 10.950 -8.992 1.00 0.00 C ATOM 238 CD1 LEU A 20 15.399 11.422 -7.566 1.00 0.00 C ATOM 239 CD2 LEU A 20 16.854 10.046 -9.064 1.00 0.00 C ATOM 0 H LEU A 20 13.712 11.569 -11.650 1.00 0.00 H new ATOM 0 HA LEU A 20 15.429 9.229 -11.128 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.540 10.890 -9.435 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.201 9.363 -8.886 1.00 0.00 H new ATOM 0 HG LEU A 20 15.814 11.825 -9.616 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.289 11.937 -7.203 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.550 12.105 -7.543 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.191 10.563 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.724 10.579 -8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.682 9.153 -8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 20 17.033 9.758 -10.100 1.00 0.00 H new ATOM 251 N PRO A 21 13.608 7.461 -10.975 1.00 0.00 N ATOM 252 CA PRO A 21 12.627 6.392 -11.185 1.00 0.00 C ATOM 253 C PRO A 21 11.464 6.472 -10.203 1.00 0.00 C ATOM 254 O PRO A 21 11.615 6.962 -9.083 1.00 0.00 O ATOM 255 CB PRO A 21 13.438 5.115 -10.951 1.00 0.00 C ATOM 256 CG PRO A 21 14.552 5.533 -10.054 1.00 0.00 C ATOM 257 CD PRO A 21 14.879 6.951 -10.433 1.00 0.00 C ATOM 0 HA PRO A 21 12.169 6.447 -12.173 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.829 4.338 -10.490 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.816 4.709 -11.889 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.256 5.467 -9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.419 4.885 -10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.210 7.531 -9.572 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.678 6.995 -11.173 1.00 0.00 H new ATOM 265 N LYS A 22 10.302 5.988 -10.629 1.00 0.00 N ATOM 266 CA LYS A 22 9.112 6.002 -9.786 1.00 0.00 C ATOM 267 C LYS A 22 9.477 5.768 -8.324 1.00 0.00 C ATOM 268 O LYS A 22 10.485 5.137 -8.005 1.00 0.00 O ATOM 269 CB LYS A 22 8.119 4.935 -10.253 1.00 0.00 C ATOM 270 CG LYS A 22 8.656 3.518 -10.147 1.00 0.00 C ATOM 271 CD LYS A 22 7.747 2.523 -10.851 1.00 0.00 C ATOM 272 CE LYS A 22 8.178 2.299 -12.292 1.00 0.00 C ATOM 273 NZ LYS A 22 7.279 1.344 -12.997 1.00 0.00 N ATOM 0 H LYS A 22 10.159 5.581 -11.553 1.00 0.00 H new ATOM 0 HA LYS A 22 8.648 6.984 -9.872 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.207 5.015 -9.661 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.845 5.134 -11.289 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.654 3.472 -10.583 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.754 3.243 -9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.759 1.574 -10.315 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.720 2.888 -10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.183 3.252 -12.822 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.199 1.918 -12.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.606 1.218 -13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.293 0.427 -12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.309 1.719 -13.002 1.00 0.00 H new ATOM 287 N PRO A 23 8.639 6.285 -7.414 1.00 0.00 N ATOM 288 CA PRO A 23 8.852 6.142 -5.970 1.00 0.00 C ATOM 289 C PRO A 23 8.644 4.710 -5.492 1.00 0.00 C ATOM 290 O PRO A 23 8.659 4.436 -4.291 1.00 0.00 O ATOM 291 CB PRO A 23 7.795 7.068 -5.363 1.00 0.00 C ATOM 292 CG PRO A 23 6.722 7.146 -6.393 1.00 0.00 C ATOM 293 CD PRO A 23 7.418 7.047 -7.723 1.00 0.00 C ATOM 0 HA PRO A 23 9.873 6.391 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.413 6.670 -4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.209 8.053 -5.147 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.002 6.338 -6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.169 8.082 -6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.801 6.535 -8.462 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.651 8.031 -8.129 1.00 0.00 H new ATOM 301 N LYS A 24 8.451 3.797 -6.438 1.00 0.00 N ATOM 302 CA LYS A 24 8.242 2.391 -6.114 1.00 0.00 C ATOM 303 C LYS A 24 9.391 1.535 -6.637 1.00 0.00 C ATOM 304 O LYS A 24 9.607 1.437 -7.846 1.00 0.00 O ATOM 305 CB LYS A 24 6.918 1.902 -6.706 1.00 0.00 C ATOM 306 CG LYS A 24 5.707 2.669 -6.203 1.00 0.00 C ATOM 307 CD LYS A 24 5.170 2.078 -4.910 1.00 0.00 C ATOM 308 CE LYS A 24 3.930 2.818 -4.432 1.00 0.00 C ATOM 309 NZ LYS A 24 4.275 4.091 -3.742 1.00 0.00 N ATOM 0 H LYS A 24 8.435 4.006 -7.436 1.00 0.00 H new ATOM 0 HA LYS A 24 8.206 2.296 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.963 1.983 -7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.792 0.845 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.977 3.713 -6.042 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.925 2.655 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.931 1.025 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.941 2.122 -4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.283 3.030 -5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.365 2.179 -3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.403 4.565 -3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.871 3.887 -2.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.792 4.712 -4.397 1.00 0.00 H new ATOM 323 N LYS A 25 10.126 0.916 -5.720 1.00 0.00 N ATOM 324 CA LYS A 25 11.252 0.065 -6.088 1.00 0.00 C ATOM 325 C LYS A 25 10.768 -1.285 -6.606 1.00 0.00 C ATOM 326 O LYS A 25 11.226 -2.334 -6.155 1.00 0.00 O ATOM 327 CB LYS A 25 12.177 -0.140 -4.886 1.00 0.00 C ATOM 328 CG LYS A 25 13.610 -0.464 -5.270 1.00 0.00 C ATOM 329 CD LYS A 25 14.465 -0.745 -4.045 1.00 0.00 C ATOM 330 CE LYS A 25 15.722 -1.521 -4.409 1.00 0.00 C ATOM 331 NZ LYS A 25 16.826 -0.619 -4.839 1.00 0.00 N ATOM 0 H LYS A 25 9.962 0.987 -4.716 1.00 0.00 H new ATOM 0 HA LYS A 25 11.805 0.562 -6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.169 0.762 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.784 -0.948 -4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.624 -1.331 -5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.036 0.370 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.742 0.196 -3.570 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.884 -1.311 -3.317 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.047 -2.109 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.495 -2.225 -5.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.664 -1.186 -5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.526 -0.076 -5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.060 0.036 -4.066 1.00 0.00 H new ATOM 345 N ASN A 26 9.840 -1.251 -7.557 1.00 0.00 N ATOM 346 CA ASN A 26 9.294 -2.472 -8.137 1.00 0.00 C ATOM 347 C ASN A 26 9.124 -3.551 -7.072 1.00 0.00 C ATOM 348 O ASN A 26 9.565 -4.687 -7.248 1.00 0.00 O ATOM 349 CB ASN A 26 10.207 -2.983 -9.254 1.00 0.00 C ATOM 350 CG ASN A 26 11.675 -2.749 -8.954 1.00 0.00 C ATOM 351 OD1 ASN A 26 12.175 -1.631 -9.079 1.00 0.00 O ATOM 352 ND2 ASN A 26 12.373 -3.806 -8.557 1.00 0.00 N ATOM 0 H ASN A 26 9.450 -0.391 -7.942 1.00 0.00 H new ATOM 0 HA ASN A 26 8.314 -2.240 -8.554 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.035 -4.049 -9.401 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.946 -2.486 -10.188 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.365 -3.710 -8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.917 -4.714 -8.467 1.00 0.00 H new ATOM 359 N ARG A 27 8.481 -3.188 -5.967 1.00 0.00 N ATOM 360 CA ARG A 27 8.253 -4.124 -4.873 1.00 0.00 C ATOM 361 C ARG A 27 6.804 -4.063 -4.398 1.00 0.00 C ATOM 362 O ARG A 27 6.166 -3.010 -4.449 1.00 0.00 O ATOM 363 CB ARG A 27 9.196 -3.820 -3.708 1.00 0.00 C ATOM 364 CG ARG A 27 10.508 -4.585 -3.770 1.00 0.00 C ATOM 365 CD ARG A 27 11.299 -4.438 -2.480 1.00 0.00 C ATOM 366 NE ARG A 27 12.740 -4.508 -2.711 1.00 0.00 N ATOM 367 CZ ARG A 27 13.408 -5.648 -2.850 1.00 0.00 C ATOM 368 NH1 ARG A 27 12.768 -6.807 -2.783 1.00 0.00 N ATOM 369 NH2 ARG A 27 14.718 -5.629 -3.058 1.00 0.00 N ATOM 0 H ARG A 27 8.109 -2.252 -5.806 1.00 0.00 H new ATOM 0 HA ARG A 27 8.455 -5.130 -5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.409 -2.751 -3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.691 -4.057 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.307 -5.640 -3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.104 -4.221 -4.607 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.053 -3.486 -2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.005 -5.223 -1.783 1.00 0.00 H new ATOM 0 HE ARG A 27 13.262 -3.634 -2.769 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.761 -6.825 -2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.283 -7.681 -2.890 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.213 -4.739 -3.111 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.230 -6.505 -3.165 1.00 0.00 H new ATOM 383 N CYS A 28 6.289 -5.198 -3.938 1.00 0.00 N ATOM 384 CA CYS A 28 4.915 -5.275 -3.455 1.00 0.00 C ATOM 385 C CYS A 28 4.622 -4.148 -2.469 1.00 0.00 C ATOM 386 O CYS A 28 5.508 -3.697 -1.743 1.00 0.00 O ATOM 387 CB CYS A 28 4.662 -6.629 -2.789 1.00 0.00 C ATOM 388 SG CYS A 28 2.906 -6.971 -2.444 1.00 0.00 S ATOM 0 H CYS A 28 6.803 -6.078 -3.889 1.00 0.00 H new ATOM 0 HA CYS A 28 4.248 -5.168 -4.311 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.055 -7.417 -3.431 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.220 -6.672 -1.854 1.00 0.00 H new ATOM 393 N PHE A 29 3.371 -3.698 -2.449 1.00 0.00 N ATOM 394 CA PHE A 29 2.960 -2.623 -1.553 1.00 0.00 C ATOM 395 C PHE A 29 2.314 -3.185 -0.291 1.00 0.00 C ATOM 396 O PHE A 29 1.813 -2.437 0.548 1.00 0.00 O ATOM 397 CB PHE A 29 1.984 -1.683 -2.264 1.00 0.00 C ATOM 398 CG PHE A 29 0.781 -1.330 -1.437 1.00 0.00 C ATOM 399 CD1 PHE A 29 -0.142 -2.301 -1.084 1.00 0.00 C ATOM 400 CD2 PHE A 29 0.574 -0.028 -1.013 1.00 0.00 C ATOM 401 CE1 PHE A 29 -1.250 -1.980 -0.322 1.00 0.00 C ATOM 402 CE2 PHE A 29 -0.532 0.300 -0.251 1.00 0.00 C ATOM 403 CZ PHE A 29 -1.445 -0.677 0.094 1.00 0.00 C ATOM 0 H PHE A 29 2.625 -4.061 -3.043 1.00 0.00 H new ATOM 0 HA PHE A 29 3.850 -2.062 -1.266 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.508 -0.767 -2.538 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.653 -2.150 -3.192 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.006 -3.321 -1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.285 0.740 -1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.962 -2.746 -0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.682 1.319 0.074 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.310 -0.423 0.688 1.00 0.00 H new ATOM 413 N MET A 30 2.329 -4.508 -0.164 1.00 0.00 N ATOM 414 CA MET A 30 1.746 -5.170 0.997 1.00 0.00 C ATOM 415 C MET A 30 2.800 -5.974 1.752 1.00 0.00 C ATOM 416 O MET A 30 2.896 -5.894 2.977 1.00 0.00 O ATOM 417 CB MET A 30 0.601 -6.089 0.564 1.00 0.00 C ATOM 418 CG MET A 30 0.340 -7.231 1.532 1.00 0.00 C ATOM 419 SD MET A 30 0.148 -6.669 3.235 1.00 0.00 S ATOM 420 CE MET A 30 -1.622 -6.837 3.449 1.00 0.00 C ATOM 0 H MET A 30 2.738 -5.142 -0.850 1.00 0.00 H new ATOM 0 HA MET A 30 1.355 -4.402 1.664 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.309 -5.498 0.459 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.829 -6.501 -0.419 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.561 -7.763 1.226 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.164 -7.942 1.479 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.878 -6.681 4.497 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.135 -6.095 2.836 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.932 -7.837 3.144 1.00 0.00 H new ATOM 430 N CYS A 31 3.589 -6.747 1.013 1.00 0.00 N ATOM 431 CA CYS A 31 4.636 -7.565 1.613 1.00 0.00 C ATOM 432 C CYS A 31 6.016 -6.976 1.331 1.00 0.00 C ATOM 433 O CYS A 31 6.996 -7.321 1.991 1.00 0.00 O ATOM 434 CB CYS A 31 4.562 -8.997 1.078 1.00 0.00 C ATOM 435 SG CYS A 31 4.890 -9.141 -0.708 1.00 0.00 S ATOM 0 H CYS A 31 3.523 -6.824 -0.002 1.00 0.00 H new ATOM 0 HA CYS A 31 4.479 -7.578 2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.280 -9.613 1.619 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.572 -9.401 1.289 1.00 0.00 H new ATOM 440 N ARG A 32 6.082 -6.086 0.346 1.00 0.00 N ATOM 441 CA ARG A 32 7.341 -5.449 -0.024 1.00 0.00 C ATOM 442 C ARG A 32 8.324 -6.473 -0.583 1.00 0.00 C ATOM 443 O ARG A 32 9.451 -6.595 -0.102 1.00 0.00 O ATOM 444 CB ARG A 32 7.955 -4.744 1.187 1.00 0.00 C ATOM 445 CG ARG A 32 7.083 -3.636 1.754 1.00 0.00 C ATOM 446 CD ARG A 32 5.983 -4.193 2.644 1.00 0.00 C ATOM 447 NE ARG A 32 5.528 -3.215 3.628 1.00 0.00 N ATOM 448 CZ ARG A 32 6.144 -2.995 4.785 1.00 0.00 C ATOM 449 NH1 ARG A 32 7.235 -3.679 5.099 1.00 0.00 N ATOM 450 NH2 ARG A 32 5.669 -2.088 5.629 1.00 0.00 N ATOM 0 H ARG A 32 5.280 -5.790 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 32 7.133 -4.711 -0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.145 -5.481 1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.920 -4.325 0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.700 -2.943 2.326 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.639 -3.067 0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.141 -4.505 2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.348 -5.082 3.158 1.00 0.00 H new ATOM 0 HE ARG A 32 4.692 -2.671 3.416 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.604 -4.376 4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.706 -3.508 5.988 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.830 -1.559 5.390 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.142 -1.920 6.517 1.00 0.00 H new ATOM 464 N LYS A 33 7.890 -7.208 -1.601 1.00 0.00 N ATOM 465 CA LYS A 33 8.731 -8.221 -2.228 1.00 0.00 C ATOM 466 C LYS A 33 9.089 -7.824 -3.656 1.00 0.00 C ATOM 467 O LYS A 33 8.272 -7.247 -4.374 1.00 0.00 O ATOM 468 CB LYS A 33 8.019 -9.576 -2.226 1.00 0.00 C ATOM 469 CG LYS A 33 8.707 -10.625 -3.083 1.00 0.00 C ATOM 470 CD LYS A 33 7.767 -11.768 -3.427 1.00 0.00 C ATOM 471 CE LYS A 33 8.320 -12.625 -4.555 1.00 0.00 C ATOM 472 NZ LYS A 33 9.494 -13.429 -4.116 1.00 0.00 N ATOM 0 H LYS A 33 6.960 -7.121 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 33 9.652 -8.301 -1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.954 -9.942 -1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.998 -9.441 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.072 -10.164 -4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.577 -11.015 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.606 -12.387 -2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.796 -11.367 -3.716 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.539 -13.292 -4.921 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.609 -11.985 -5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.842 -13.999 -4.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.249 -12.792 -3.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.212 -14.058 -3.337 1.00 0.00 H new ATOM 486 N LYS A 34 10.314 -8.139 -4.064 1.00 0.00 N ATOM 487 CA LYS A 34 10.780 -7.818 -5.408 1.00 0.00 C ATOM 488 C LYS A 34 9.898 -8.481 -6.462 1.00 0.00 C ATOM 489 O LYS A 34 9.966 -9.692 -6.669 1.00 0.00 O ATOM 490 CB LYS A 34 12.232 -8.266 -5.587 1.00 0.00 C ATOM 491 CG LYS A 34 13.034 -7.373 -6.518 1.00 0.00 C ATOM 492 CD LYS A 34 12.898 -7.812 -7.966 1.00 0.00 C ATOM 493 CE LYS A 34 13.752 -9.036 -8.260 1.00 0.00 C ATOM 494 NZ LYS A 34 15.131 -8.661 -8.680 1.00 0.00 N ATOM 0 H LYS A 34 11.002 -8.617 -3.482 1.00 0.00 H new ATOM 0 HA LYS A 34 10.721 -6.737 -5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.719 -8.290 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.244 -9.285 -5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.695 -6.342 -6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.084 -7.393 -6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.853 -8.035 -8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.193 -6.995 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.801 -9.666 -7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.281 -9.628 -9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.682 -9.522 -8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.086 -8.080 -9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.590 -8.118 -7.921 1.00 0.00 H new ATOM 508 N VAL A 35 9.072 -7.678 -7.126 1.00 0.00 N ATOM 509 CA VAL A 35 8.179 -8.187 -8.160 1.00 0.00 C ATOM 510 C VAL A 35 8.746 -7.926 -9.551 1.00 0.00 C ATOM 511 O VAL A 35 8.639 -8.766 -10.444 1.00 0.00 O ATOM 512 CB VAL A 35 6.782 -7.548 -8.059 1.00 0.00 C ATOM 513 CG1 VAL A 35 6.218 -7.716 -6.656 1.00 0.00 C ATOM 514 CG2 VAL A 35 6.839 -6.078 -8.446 1.00 0.00 C ATOM 0 H VAL A 35 9.003 -6.673 -6.966 1.00 0.00 H new ATOM 0 HA VAL A 35 8.091 -9.262 -8.002 1.00 0.00 H new ATOM 0 HB VAL A 35 6.117 -8.058 -8.756 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.230 -7.258 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.139 -8.777 -6.420 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.880 -7.233 -5.937 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.843 -5.643 -8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.518 -5.551 -7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.197 -5.985 -9.471 1.00 0.00 H new ATOM 524 N GLY A 36 9.349 -6.754 -9.729 1.00 0.00 N ATOM 525 CA GLY A 36 9.924 -6.403 -11.014 1.00 0.00 C ATOM 526 C GLY A 36 8.939 -6.569 -12.155 1.00 0.00 C ATOM 527 O GLY A 36 8.089 -5.707 -12.381 1.00 0.00 O ATOM 0 H GLY A 36 9.449 -6.042 -9.006 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.270 -5.370 -10.984 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.799 -7.026 -11.200 1.00 0.00 H new ATOM 531 N LEU A 37 9.054 -7.679 -12.876 1.00 0.00 N ATOM 532 CA LEU A 37 8.167 -7.954 -14.001 1.00 0.00 C ATOM 533 C LEU A 37 6.898 -8.659 -13.534 1.00 0.00 C ATOM 534 O LEU A 37 5.832 -8.506 -14.133 1.00 0.00 O ATOM 535 CB LEU A 37 8.886 -8.812 -15.044 1.00 0.00 C ATOM 536 CG LEU A 37 9.865 -8.076 -15.960 1.00 0.00 C ATOM 537 CD1 LEU A 37 9.123 -7.102 -16.861 1.00 0.00 C ATOM 538 CD2 LEU A 37 10.919 -7.348 -15.138 1.00 0.00 C ATOM 0 H LEU A 37 9.752 -8.402 -12.702 1.00 0.00 H new ATOM 0 HA LEU A 37 7.887 -7.002 -14.452 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.429 -9.601 -14.524 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.134 -9.299 -15.665 1.00 0.00 H new ATOM 0 HG LEU A 37 10.367 -8.811 -16.589 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.836 -6.588 -17.506 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.407 -7.648 -17.475 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.594 -6.371 -16.249 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.607 -6.830 -15.806 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.434 -6.624 -14.484 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.472 -8.068 -14.535 1.00 0.00 H new ATOM 550 N THR A 38 7.017 -9.431 -12.458 1.00 0.00 N ATOM 551 CA THR A 38 5.880 -10.159 -11.910 1.00 0.00 C ATOM 552 C THR A 38 5.044 -9.267 -10.998 1.00 0.00 C ATOM 553 O THR A 38 4.460 -9.734 -10.022 1.00 0.00 O ATOM 554 CB THR A 38 6.335 -11.399 -11.118 1.00 0.00 C ATOM 555 OG1 THR A 38 7.174 -11.003 -10.027 1.00 0.00 O ATOM 556 CG2 THR A 38 7.087 -12.369 -12.017 1.00 0.00 C ATOM 0 H THR A 38 7.890 -9.568 -11.949 1.00 0.00 H new ATOM 0 HA THR A 38 5.273 -10.480 -12.757 1.00 0.00 H new ATOM 0 HB THR A 38 5.448 -11.901 -10.730 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.540 -10.111 -10.203 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.398 -13.237 -11.436 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.436 -12.691 -12.830 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.966 -11.875 -12.431 1.00 0.00 H new ATOM 564 N GLY A 39 4.992 -7.979 -11.325 1.00 0.00 N ATOM 565 CA GLY A 39 4.224 -7.042 -10.525 1.00 0.00 C ATOM 566 C GLY A 39 2.745 -7.074 -10.854 1.00 0.00 C ATOM 567 O GLY A 39 2.354 -7.487 -11.946 1.00 0.00 O ATOM 0 H GLY A 39 5.467 -7.568 -12.129 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.363 -7.272 -9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.607 -6.034 -10.685 1.00 0.00 H new ATOM 571 N PHE A 40 1.920 -6.640 -9.907 1.00 0.00 N ATOM 572 CA PHE A 40 0.475 -6.623 -10.101 1.00 0.00 C ATOM 573 C PHE A 40 -0.112 -5.271 -9.705 1.00 0.00 C ATOM 574 O PHE A 40 0.035 -4.829 -8.566 1.00 0.00 O ATOM 575 CB PHE A 40 -0.183 -7.737 -9.284 1.00 0.00 C ATOM 576 CG PHE A 40 -1.290 -8.442 -10.014 1.00 0.00 C ATOM 577 CD1 PHE A 40 -2.577 -7.927 -10.014 1.00 0.00 C ATOM 578 CD2 PHE A 40 -1.045 -9.620 -10.700 1.00 0.00 C ATOM 579 CE1 PHE A 40 -3.597 -8.574 -10.684 1.00 0.00 C ATOM 580 CE2 PHE A 40 -2.061 -10.272 -11.373 1.00 0.00 C ATOM 581 CZ PHE A 40 -3.339 -9.747 -11.366 1.00 0.00 C ATOM 0 H PHE A 40 2.227 -6.295 -8.998 1.00 0.00 H new ATOM 0 HA PHE A 40 0.274 -6.790 -11.159 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.576 -8.466 -9.001 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.579 -7.314 -8.361 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.785 -7.009 -9.484 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.048 -10.034 -10.709 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.596 -8.163 -10.675 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.856 -11.190 -11.903 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.135 -10.253 -11.893 1.00 0.00 H new ATOM 591 N ASP A 41 -0.776 -4.621 -10.654 1.00 0.00 N ATOM 592 CA ASP A 41 -1.385 -3.319 -10.405 1.00 0.00 C ATOM 593 C ASP A 41 -2.850 -3.473 -10.008 1.00 0.00 C ATOM 594 O ASP A 41 -3.674 -3.933 -10.799 1.00 0.00 O ATOM 595 CB ASP A 41 -1.271 -2.433 -11.647 1.00 0.00 C ATOM 596 CG ASP A 41 -1.442 -0.962 -11.325 1.00 0.00 C ATOM 597 OD1 ASP A 41 -1.029 -0.543 -10.223 1.00 0.00 O ATOM 598 OD2 ASP A 41 -1.990 -0.228 -12.175 1.00 0.00 O ATOM 0 H ASP A 41 -0.906 -4.974 -11.602 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.851 -2.846 -9.581 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.298 -2.589 -12.113 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.025 -2.733 -12.374 1.00 0.00 H new ATOM 603 N CYS A 42 -3.168 -3.084 -8.777 1.00 0.00 N ATOM 604 CA CYS A 42 -4.532 -3.179 -8.273 1.00 0.00 C ATOM 605 C CYS A 42 -5.340 -1.942 -8.654 1.00 0.00 C ATOM 606 O CYS A 42 -4.785 -0.941 -9.108 1.00 0.00 O ATOM 607 CB CYS A 42 -4.526 -3.350 -6.753 1.00 0.00 C ATOM 608 SG CYS A 42 -6.142 -3.812 -6.050 1.00 0.00 S ATOM 0 H CYS A 42 -2.498 -2.700 -8.110 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.001 -4.052 -8.728 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.795 -4.113 -6.487 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.195 -2.418 -6.295 1.00 0.00 H new ATOM 613 N ARG A 43 -6.654 -2.018 -8.465 1.00 0.00 N ATOM 614 CA ARG A 43 -7.538 -0.906 -8.789 1.00 0.00 C ATOM 615 C ARG A 43 -7.313 0.263 -7.834 1.00 0.00 C ATOM 616 O ARG A 43 -7.519 1.422 -8.196 1.00 0.00 O ATOM 617 CB ARG A 43 -9.000 -1.354 -8.728 1.00 0.00 C ATOM 618 CG ARG A 43 -9.311 -2.538 -9.628 1.00 0.00 C ATOM 619 CD ARG A 43 -9.672 -2.088 -11.035 1.00 0.00 C ATOM 620 NE ARG A 43 -10.267 -3.168 -11.819 1.00 0.00 N ATOM 621 CZ ARG A 43 -9.556 -4.070 -12.486 1.00 0.00 C ATOM 622 NH1 ARG A 43 -8.231 -4.023 -12.464 1.00 0.00 N ATOM 623 NH2 ARG A 43 -10.170 -5.022 -13.177 1.00 0.00 N ATOM 0 H ARG A 43 -7.129 -2.839 -8.089 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.308 -0.575 -9.802 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.249 -1.615 -7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.640 -0.517 -9.008 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.448 -3.203 -9.668 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.136 -3.111 -9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.370 -1.252 -10.981 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.777 -1.724 -11.540 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.284 -3.233 -11.856 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.755 -3.293 -11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.687 -4.717 -12.977 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.189 -5.062 -13.196 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.623 -5.714 -13.689 1.00 0.00 H new ATOM 637 N CYS A 44 -6.890 -0.049 -6.614 1.00 0.00 N ATOM 638 CA CYS A 44 -6.638 0.974 -5.606 1.00 0.00 C ATOM 639 C CYS A 44 -5.415 1.810 -5.974 1.00 0.00 C ATOM 640 O CYS A 44 -5.046 2.737 -5.255 1.00 0.00 O ATOM 641 CB CYS A 44 -6.435 0.329 -4.234 1.00 0.00 C ATOM 642 SG CYS A 44 -4.982 -0.766 -4.135 1.00 0.00 S ATOM 0 H CYS A 44 -6.714 -1.003 -6.299 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.507 1.631 -5.566 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.336 1.115 -3.486 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.326 -0.244 -3.978 1.00 0.00 H new ATOM 647 N GLY A 45 -4.792 1.473 -7.099 1.00 0.00 N ATOM 648 CA GLY A 45 -3.618 2.202 -7.542 1.00 0.00 C ATOM 649 C GLY A 45 -2.371 1.818 -6.771 1.00 0.00 C ATOM 650 O GLY A 45 -1.605 2.682 -6.346 1.00 0.00 O ATOM 0 H GLY A 45 -5.079 0.709 -7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.457 2.014 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.795 3.272 -7.431 1.00 0.00 H new ATOM 654 N ASN A 46 -2.168 0.517 -6.587 1.00 0.00 N ATOM 655 CA ASN A 46 -1.006 0.021 -5.858 1.00 0.00 C ATOM 656 C ASN A 46 -0.353 -1.140 -6.603 1.00 0.00 C ATOM 657 O ASN A 46 -0.880 -1.625 -7.605 1.00 0.00 O ATOM 658 CB ASN A 46 -1.412 -0.425 -4.452 1.00 0.00 C ATOM 659 CG ASN A 46 -1.384 0.716 -3.453 1.00 0.00 C ATOM 660 OD1 ASN A 46 -0.504 1.576 -3.501 1.00 0.00 O ATOM 661 ND2 ASN A 46 -2.350 0.728 -2.542 1.00 0.00 N ATOM 0 H ASN A 46 -2.792 -0.212 -6.932 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.283 0.833 -5.779 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.415 -0.851 -4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.740 -1.215 -4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.383 1.471 -1.844 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.059 -0.006 -2.540 1.00 0.00 H new ATOM 668 N LEU A 47 0.798 -1.580 -6.106 1.00 0.00 N ATOM 669 CA LEU A 47 1.524 -2.685 -6.723 1.00 0.00 C ATOM 670 C LEU A 47 1.576 -3.891 -5.791 1.00 0.00 C ATOM 671 O LEU A 47 1.754 -3.747 -4.581 1.00 0.00 O ATOM 672 CB LEU A 47 2.944 -2.247 -7.088 1.00 0.00 C ATOM 673 CG LEU A 47 3.909 -3.363 -7.490 1.00 0.00 C ATOM 674 CD1 LEU A 47 3.460 -4.015 -8.788 1.00 0.00 C ATOM 675 CD2 LEU A 47 5.324 -2.822 -7.624 1.00 0.00 C ATOM 0 H LEU A 47 1.248 -1.189 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 47 0.994 -2.973 -7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.883 -1.534 -7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.369 -1.716 -6.236 1.00 0.00 H new ATOM 0 HG LEU A 47 3.904 -4.121 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.159 -4.807 -9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.464 -4.439 -8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.434 -3.267 -9.581 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.997 -3.630 -7.911 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.345 -2.044 -8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.645 -2.403 -6.670 1.00 0.00 H new ATOM 687 N PHE A 48 1.421 -5.081 -6.362 1.00 0.00 N ATOM 688 CA PHE A 48 1.451 -6.313 -5.583 1.00 0.00 C ATOM 689 C PHE A 48 2.240 -7.398 -6.310 1.00 0.00 C ATOM 690 O PHE A 48 2.358 -7.379 -7.536 1.00 0.00 O ATOM 691 CB PHE A 48 0.028 -6.801 -5.306 1.00 0.00 C ATOM 692 CG PHE A 48 -0.822 -5.793 -4.586 1.00 0.00 C ATOM 693 CD1 PHE A 48 -1.464 -4.783 -5.284 1.00 0.00 C ATOM 694 CD2 PHE A 48 -0.980 -5.857 -3.211 1.00 0.00 C ATOM 695 CE1 PHE A 48 -2.245 -3.855 -4.624 1.00 0.00 C ATOM 696 CE2 PHE A 48 -1.761 -4.931 -2.545 1.00 0.00 C ATOM 697 CZ PHE A 48 -2.395 -3.929 -3.253 1.00 0.00 C ATOM 0 H PHE A 48 1.273 -5.218 -7.362 1.00 0.00 H new ATOM 0 HA PHE A 48 1.946 -6.102 -4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.450 -7.058 -6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.075 -7.715 -4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.352 -4.721 -6.356 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.487 -6.639 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.738 -3.071 -5.180 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.875 -4.991 -1.473 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.007 -3.205 -2.736 1.00 0.00 H new ATOM 707 N CYS A 49 2.780 -8.341 -5.546 1.00 0.00 N ATOM 708 CA CYS A 49 3.559 -9.434 -6.116 1.00 0.00 C ATOM 709 C CYS A 49 2.648 -10.567 -6.580 1.00 0.00 C ATOM 710 O CYS A 49 3.070 -11.719 -6.672 1.00 0.00 O ATOM 711 CB CYS A 49 4.563 -9.961 -5.089 1.00 0.00 C ATOM 712 SG CYS A 49 3.797 -10.707 -3.614 1.00 0.00 S ATOM 0 H CYS A 49 2.693 -8.371 -4.530 1.00 0.00 H new ATOM 0 HA CYS A 49 4.100 -9.049 -6.980 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.201 -10.703 -5.569 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.209 -9.141 -4.774 1.00 0.00 H new ATOM 717 N GLY A 50 1.396 -10.230 -6.872 1.00 0.00 N ATOM 718 CA GLY A 50 0.445 -11.229 -7.324 1.00 0.00 C ATOM 719 C GLY A 50 -0.125 -12.046 -6.181 1.00 0.00 C ATOM 720 O GLY A 50 -1.272 -12.491 -6.238 1.00 0.00 O ATOM 0 H GLY A 50 1.023 -9.283 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.369 -10.737 -7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.933 -11.896 -8.035 1.00 0.00 H new ATOM 724 N LEU A 51 0.676 -12.244 -5.141 1.00 0.00 N ATOM 725 CA LEU A 51 0.246 -13.015 -3.979 1.00 0.00 C ATOM 726 C LEU A 51 -0.782 -12.239 -3.162 1.00 0.00 C ATOM 727 O LEU A 51 -1.583 -12.825 -2.433 1.00 0.00 O ATOM 728 CB LEU A 51 1.448 -13.369 -3.103 1.00 0.00 C ATOM 729 CG LEU A 51 2.600 -14.092 -3.804 1.00 0.00 C ATOM 730 CD1 LEU A 51 3.921 -13.781 -3.119 1.00 0.00 C ATOM 731 CD2 LEU A 51 2.350 -15.593 -3.830 1.00 0.00 C ATOM 0 H LEU A 51 1.627 -11.882 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.218 -13.934 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.836 -12.450 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.101 -13.993 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 51 2.656 -13.735 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.729 -14.304 -3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.105 -12.707 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.878 -14.109 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.179 -16.091 -4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.267 -15.966 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.424 -15.798 -4.367 1.00 0.00 H new ATOM 743 N HIS A 52 -0.755 -10.916 -3.289 1.00 0.00 N ATOM 744 CA HIS A 52 -1.686 -10.059 -2.564 1.00 0.00 C ATOM 745 C HIS A 52 -2.544 -9.248 -3.531 1.00 0.00 C ATOM 746 O HIS A 52 -3.429 -8.500 -3.114 1.00 0.00 O ATOM 747 CB HIS A 52 -0.925 -9.119 -1.628 1.00 0.00 C ATOM 748 CG HIS A 52 -0.157 -9.833 -0.558 1.00 0.00 C ATOM 749 ND1 HIS A 52 1.203 -10.049 -0.626 1.00 0.00 N ATOM 750 CD2 HIS A 52 -0.565 -10.378 0.611 1.00 0.00 C ATOM 751 CE1 HIS A 52 1.598 -10.699 0.455 1.00 0.00 C ATOM 752 NE2 HIS A 52 0.543 -10.910 1.222 1.00 0.00 N ATOM 0 H HIS A 52 -0.099 -10.414 -3.887 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.342 -10.697 -1.971 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.236 -8.513 -2.216 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.632 -8.434 -1.161 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.575 -10.392 0.993 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.610 -11.005 0.674 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.551 -11.390 2.122 1.00 0.00 H new ATOM 760 N ARG A 53 -2.274 -9.400 -4.823 1.00 0.00 N ATOM 761 CA ARG A 53 -3.020 -8.680 -5.849 1.00 0.00 C ATOM 762 C ARG A 53 -4.499 -8.592 -5.485 1.00 0.00 C ATOM 763 O ARG A 53 -5.122 -7.540 -5.626 1.00 0.00 O ATOM 764 CB ARG A 53 -2.857 -9.369 -7.205 1.00 0.00 C ATOM 765 CG ARG A 53 -3.431 -10.776 -7.247 1.00 0.00 C ATOM 766 CD ARG A 53 -2.971 -11.529 -8.485 1.00 0.00 C ATOM 767 NE ARG A 53 -3.777 -12.721 -8.731 1.00 0.00 N ATOM 768 CZ ARG A 53 -3.394 -13.717 -9.523 1.00 0.00 C ATOM 769 NH1 ARG A 53 -2.222 -13.663 -10.141 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.183 -14.769 -9.697 1.00 0.00 N ATOM 0 H ARG A 53 -1.545 -10.015 -5.185 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.619 -7.668 -5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.343 -8.765 -7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.797 -9.410 -7.457 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.126 -11.321 -6.354 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.520 -10.726 -7.234 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.025 -10.870 -9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.926 -11.816 -8.367 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.684 -12.793 -8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.612 -12.856 -10.009 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.930 -14.429 -10.748 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.085 -14.814 -9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.888 -15.533 -10.305 1.00 0.00 H new ATOM 784 N TYR A 54 -5.055 -9.704 -5.017 1.00 0.00 N ATOM 785 CA TYR A 54 -6.461 -9.754 -4.635 1.00 0.00 C ATOM 786 C TYR A 54 -6.826 -8.570 -3.745 1.00 0.00 C ATOM 787 O TYR A 54 -5.978 -7.740 -3.418 1.00 0.00 O ATOM 788 CB TYR A 54 -6.769 -11.065 -3.911 1.00 0.00 C ATOM 789 CG TYR A 54 -6.368 -12.297 -4.692 1.00 0.00 C ATOM 790 CD1 TYR A 54 -5.053 -12.746 -4.693 1.00 0.00 C ATOM 791 CD2 TYR A 54 -7.305 -13.012 -5.428 1.00 0.00 C ATOM 792 CE1 TYR A 54 -4.683 -13.869 -5.405 1.00 0.00 C ATOM 793 CE2 TYR A 54 -6.943 -14.138 -6.142 1.00 0.00 C ATOM 794 CZ TYR A 54 -5.631 -14.562 -6.128 1.00 0.00 C ATOM 795 OH TYR A 54 -5.266 -15.683 -6.838 1.00 0.00 O ATOM 0 H TYR A 54 -4.553 -10.583 -4.893 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.060 -9.700 -5.544 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.253 -11.070 -2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.837 -11.111 -3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.308 -12.207 -4.127 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.333 -12.682 -5.442 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.656 -14.203 -5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.684 -14.683 -6.708 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.052 -16.054 -7.291 1.00 0.00 H new ATOM 805 N SER A 55 -8.095 -8.500 -3.355 1.00 0.00 N ATOM 806 CA SER A 55 -8.575 -7.418 -2.504 1.00 0.00 C ATOM 807 C SER A 55 -8.595 -7.845 -1.040 1.00 0.00 C ATOM 808 O SER A 55 -7.976 -7.208 -0.187 1.00 0.00 O ATOM 809 CB SER A 55 -9.975 -6.982 -2.939 1.00 0.00 C ATOM 810 OG SER A 55 -10.833 -8.099 -3.090 1.00 0.00 O ATOM 0 H SER A 55 -8.809 -9.180 -3.615 1.00 0.00 H new ATOM 0 HA SER A 55 -7.891 -6.576 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.392 -6.297 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.913 -6.437 -3.881 1.00 0.00 H new ATOM 0 HG SER A 55 -11.268 -8.061 -3.967 1.00 0.00 H new ATOM 816 N ASP A 56 -9.310 -8.928 -0.756 1.00 0.00 N ATOM 817 CA ASP A 56 -9.411 -9.443 0.605 1.00 0.00 C ATOM 818 C ASP A 56 -8.057 -9.945 1.098 1.00 0.00 C ATOM 819 O ASP A 56 -7.916 -10.354 2.250 1.00 0.00 O ATOM 820 CB ASP A 56 -10.442 -10.571 0.671 1.00 0.00 C ATOM 821 CG ASP A 56 -10.687 -11.048 2.089 1.00 0.00 C ATOM 822 OD1 ASP A 56 -10.542 -10.232 3.023 1.00 0.00 O ATOM 823 OD2 ASP A 56 -11.022 -12.239 2.265 1.00 0.00 O ATOM 0 H ASP A 56 -9.828 -9.467 -1.450 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.734 -8.628 1.253 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.382 -10.226 0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.100 -11.408 0.063 1.00 0.00 H new ATOM 828 N LYS A 57 -7.063 -9.911 0.216 1.00 0.00 N ATOM 829 CA LYS A 57 -5.720 -10.362 0.560 1.00 0.00 C ATOM 830 C LYS A 57 -4.932 -9.252 1.248 1.00 0.00 C ATOM 831 O LYS A 57 -4.269 -9.482 2.260 1.00 0.00 O ATOM 832 CB LYS A 57 -4.978 -10.826 -0.695 1.00 0.00 C ATOM 833 CG LYS A 57 -5.315 -12.247 -1.112 1.00 0.00 C ATOM 834 CD LYS A 57 -4.754 -13.263 -0.131 1.00 0.00 C ATOM 835 CE LYS A 57 -5.603 -14.525 -0.089 1.00 0.00 C ATOM 836 NZ LYS A 57 -5.221 -15.412 1.044 1.00 0.00 N ATOM 0 H LYS A 57 -7.163 -9.576 -0.742 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.812 -11.200 1.251 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.214 -10.150 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.905 -10.753 -0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.397 -12.361 -1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.914 -12.440 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.733 -13.519 -0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.707 -12.822 0.865 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.655 -14.253 0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.494 -15.068 -1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.822 -16.261 1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.225 -15.693 0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.349 -14.903 1.942 1.00 0.00 H new ATOM 850 N HIS A 58 -5.011 -8.046 0.694 1.00 0.00 N ATOM 851 CA HIS A 58 -4.307 -6.899 1.256 1.00 0.00 C ATOM 852 C HIS A 58 -5.293 -5.858 1.776 1.00 0.00 C ATOM 853 O HIS A 58 -4.940 -4.695 1.966 1.00 0.00 O ATOM 854 CB HIS A 58 -3.391 -6.271 0.205 1.00 0.00 C ATOM 855 CG HIS A 58 -4.131 -5.569 -0.892 1.00 0.00 C ATOM 856 ND1 HIS A 58 -4.140 -6.014 -2.198 1.00 0.00 N ATOM 857 CD2 HIS A 58 -4.891 -4.450 -0.872 1.00 0.00 C ATOM 858 CE1 HIS A 58 -4.873 -5.197 -2.933 1.00 0.00 C ATOM 859 NE2 HIS A 58 -5.340 -4.240 -2.153 1.00 0.00 N ATOM 0 H HIS A 58 -5.555 -7.838 -0.143 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.701 -7.249 2.092 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.724 -5.561 0.694 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -2.765 -7.049 -0.231 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.657 -6.844 -2.542 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.105 -3.836 -0.010 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.059 -5.295 -3.992 1.00 0.00 H new ATOM 867 N ASN A 59 -6.532 -6.284 2.002 1.00 0.00 N ATOM 868 CA ASN A 59 -7.569 -5.387 2.499 1.00 0.00 C ATOM 869 C ASN A 59 -7.719 -4.171 1.589 1.00 0.00 C ATOM 870 O ASN A 59 -7.674 -3.030 2.048 1.00 0.00 O ATOM 871 CB ASN A 59 -7.243 -4.936 3.924 1.00 0.00 C ATOM 872 CG ASN A 59 -7.012 -6.104 4.862 1.00 0.00 C ATOM 873 OD1 ASN A 59 -7.838 -6.392 5.728 1.00 0.00 O ATOM 874 ND2 ASN A 59 -5.884 -6.784 4.693 1.00 0.00 N ATOM 0 H ASN A 59 -6.842 -7.244 1.849 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.513 -5.932 2.505 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.354 -4.305 3.908 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.061 -4.324 4.305 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.674 -7.581 5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.228 -6.510 3.962 1.00 0.00 H new ATOM 881 N CYS A 60 -7.898 -4.424 0.297 1.00 0.00 N ATOM 882 CA CYS A 60 -8.054 -3.352 -0.678 1.00 0.00 C ATOM 883 C CYS A 60 -9.174 -2.401 -0.265 1.00 0.00 C ATOM 884 O CYS A 60 -10.326 -2.797 -0.090 1.00 0.00 O ATOM 885 CB CYS A 60 -8.348 -3.932 -2.063 1.00 0.00 C ATOM 886 SG CYS A 60 -8.291 -2.707 -3.410 1.00 0.00 S ATOM 0 H CYS A 60 -7.939 -5.363 -0.099 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.120 -2.791 -0.717 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.628 -4.722 -2.274 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.335 -4.395 -2.049 1.00 0.00 H new ATOM 891 N PRO A 61 -8.828 -1.115 -0.106 1.00 0.00 N ATOM 892 CA PRO A 61 -9.789 -0.080 0.287 1.00 0.00 C ATOM 893 C PRO A 61 -10.796 0.226 -0.816 1.00 0.00 C ATOM 894 O PRO A 61 -11.959 0.526 -0.544 1.00 0.00 O ATOM 895 CB PRO A 61 -8.906 1.141 0.558 1.00 0.00 C ATOM 896 CG PRO A 61 -7.687 0.917 -0.270 1.00 0.00 C ATOM 897 CD PRO A 61 -7.473 -0.571 -0.298 1.00 0.00 C ATOM 0 HA PRO A 61 -10.390 -0.387 1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.411 2.065 0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.657 1.223 1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.822 1.311 -1.277 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.825 1.427 0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.040 -0.897 -1.244 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.795 -0.894 0.492 1.00 0.00 H new ATOM 905 N TYR A 62 -10.343 0.147 -2.063 1.00 0.00 N ATOM 906 CA TYR A 62 -11.204 0.417 -3.208 1.00 0.00 C ATOM 907 C TYR A 62 -12.552 -0.281 -3.052 1.00 0.00 C ATOM 908 O TYR A 62 -12.750 -1.075 -2.132 1.00 0.00 O ATOM 909 CB TYR A 62 -10.527 -0.040 -4.501 1.00 0.00 C ATOM 910 CG TYR A 62 -10.525 1.012 -5.587 1.00 0.00 C ATOM 911 CD1 TYR A 62 -10.089 2.305 -5.329 1.00 0.00 C ATOM 912 CD2 TYR A 62 -10.961 0.712 -6.872 1.00 0.00 C ATOM 913 CE1 TYR A 62 -10.086 3.270 -6.318 1.00 0.00 C ATOM 914 CE2 TYR A 62 -10.960 1.669 -7.868 1.00 0.00 C ATOM 915 CZ TYR A 62 -10.522 2.947 -7.586 1.00 0.00 C ATOM 916 OH TYR A 62 -10.522 3.904 -8.575 1.00 0.00 O ATOM 0 H TYR A 62 -9.384 -0.102 -2.306 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.375 1.492 -3.256 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.498 -0.326 -4.281 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.033 -0.931 -4.871 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.746 2.561 -4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.307 -0.286 -7.096 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.744 4.271 -6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.300 1.419 -8.862 1.00 0.00 H new ATOM 0 HH TYR A 62 -10.858 3.513 -9.409 1.00 0.00 H new ATOM 926 N ASP A 63 -13.475 0.021 -3.959 1.00 0.00 N ATOM 927 CA ASP A 63 -14.804 -0.578 -3.925 1.00 0.00 C ATOM 928 C ASP A 63 -15.228 -1.038 -5.316 1.00 0.00 C ATOM 929 O ASP A 63 -16.398 -1.341 -5.552 1.00 0.00 O ATOM 930 CB ASP A 63 -15.823 0.420 -3.373 1.00 0.00 C ATOM 931 CG ASP A 63 -17.049 -0.262 -2.799 1.00 0.00 C ATOM 932 OD1 ASP A 63 -17.515 -1.250 -3.403 1.00 0.00 O ATOM 933 OD2 ASP A 63 -17.544 0.194 -1.746 1.00 0.00 O ATOM 0 H ASP A 63 -13.327 0.677 -4.726 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.767 -1.448 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.352 1.025 -2.599 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.128 1.100 -4.168 1.00 0.00 H new ATOM 938 N TYR A 64 -14.270 -1.088 -6.235 1.00 0.00 N ATOM 939 CA TYR A 64 -14.544 -1.508 -7.604 1.00 0.00 C ATOM 940 C TYR A 64 -15.627 -2.582 -7.637 1.00 0.00 C ATOM 941 O TYR A 64 -16.406 -2.667 -8.587 1.00 0.00 O ATOM 942 CB TYR A 64 -13.268 -2.033 -8.264 1.00 0.00 C ATOM 943 CG TYR A 64 -12.701 -3.264 -7.592 1.00 0.00 C ATOM 944 CD1 TYR A 64 -12.167 -3.196 -6.311 1.00 0.00 C ATOM 945 CD2 TYR A 64 -12.701 -4.494 -8.238 1.00 0.00 C ATOM 946 CE1 TYR A 64 -11.648 -4.318 -5.694 1.00 0.00 C ATOM 947 CE2 TYR A 64 -12.185 -5.621 -7.628 1.00 0.00 C ATOM 948 CZ TYR A 64 -11.659 -5.528 -6.356 1.00 0.00 C ATOM 949 OH TYR A 64 -11.144 -6.647 -5.745 1.00 0.00 O ATOM 0 H TYR A 64 -13.296 -0.843 -6.056 1.00 0.00 H new ATOM 0 HA TYR A 64 -14.901 -0.641 -8.159 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -13.478 -2.263 -9.309 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -12.514 -1.245 -8.256 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.157 -2.251 -5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -13.111 -4.570 -9.234 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.236 -4.248 -4.698 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -12.193 -6.570 -8.144 1.00 0.00 H new ATOM 0 HH TYR A 64 -11.230 -7.416 -6.346 1.00 0.00 H new ATOM 959 N LYS A 65 -15.670 -3.402 -6.593 1.00 0.00 N ATOM 960 CA LYS A 65 -16.657 -4.471 -6.499 1.00 0.00 C ATOM 961 C LYS A 65 -18.038 -3.976 -6.919 1.00 0.00 C ATOM 962 O LYS A 65 -18.561 -4.376 -7.958 1.00 0.00 O ATOM 963 CB LYS A 65 -16.713 -5.018 -5.070 1.00 0.00 C ATOM 964 CG LYS A 65 -15.370 -5.005 -4.361 1.00 0.00 C ATOM 965 CD LYS A 65 -15.294 -6.083 -3.293 1.00 0.00 C ATOM 966 CE LYS A 65 -13.853 -6.467 -2.991 1.00 0.00 C ATOM 967 NZ LYS A 65 -13.763 -7.439 -1.866 1.00 0.00 N ATOM 0 H LYS A 65 -15.032 -3.347 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 65 -16.355 -5.270 -7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.425 -4.429 -4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.091 -6.040 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.572 -5.155 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -15.207 -4.028 -3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.776 -5.729 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.845 -6.964 -3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.398 -6.899 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.282 -5.572 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.840 -7.917 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.865 -6.934 -0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.521 -8.145 -1.956 1.00 0.00 H new ATOM 981 N ALA A 66 -18.620 -3.101 -6.106 1.00 0.00 N ATOM 982 CA ALA A 66 -19.937 -2.548 -6.395 1.00 0.00 C ATOM 983 C ALA A 66 -19.901 -1.665 -7.638 1.00 0.00 C ATOM 984 O ALA A 66 -20.726 -1.813 -8.539 1.00 0.00 O ATOM 985 CB ALA A 66 -20.454 -1.760 -5.201 1.00 0.00 C ATOM 0 H ALA A 66 -18.200 -2.760 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 66 -20.616 -3.378 -6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -21.438 -1.353 -5.432 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -20.527 -2.418 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.767 -0.943 -4.979 1.00 0.00 H new ATOM 991 N GLU A 67 -18.940 -0.747 -7.679 1.00 0.00 N ATOM 992 CA GLU A 67 -18.799 0.160 -8.811 1.00 0.00 C ATOM 993 C GLU A 67 -18.959 -0.588 -10.131 1.00 0.00 C ATOM 994 O GLU A 67 -18.308 -1.607 -10.362 1.00 0.00 O ATOM 995 CB GLU A 67 -17.437 0.856 -8.768 1.00 0.00 C ATOM 996 CG GLU A 67 -17.093 1.600 -10.048 1.00 0.00 C ATOM 997 CD GLU A 67 -15.992 2.624 -9.850 1.00 0.00 C ATOM 998 OE1 GLU A 67 -15.102 2.383 -9.008 1.00 0.00 O ATOM 999 OE2 GLU A 67 -16.022 3.666 -10.538 1.00 0.00 O ATOM 0 H GLU A 67 -18.248 -0.612 -6.942 1.00 0.00 H new ATOM 0 HA GLU A 67 -19.586 0.911 -8.742 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.423 1.558 -7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -16.665 0.113 -8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.785 0.883 -10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.986 2.100 -10.424 1.00 0.00 H new ATOM 1006 N ALA A 68 -19.830 -0.075 -10.994 1.00 0.00 N ATOM 1007 CA ALA A 68 -20.075 -0.693 -12.291 1.00 0.00 C ATOM 1008 C ALA A 68 -20.970 0.186 -13.158 1.00 0.00 C ATOM 1009 O ALA A 68 -21.918 0.797 -12.666 1.00 0.00 O ATOM 1010 CB ALA A 68 -20.698 -2.069 -12.111 1.00 0.00 C ATOM 0 H ALA A 68 -20.378 0.767 -10.818 1.00 0.00 H new ATOM 0 HA ALA A 68 -19.117 -0.804 -12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.875 -2.519 -13.088 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -20.021 -2.703 -11.537 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -21.644 -1.973 -11.578 1.00 0.00 H new ATOM 1016 N SER A 69 -20.662 0.245 -14.450 1.00 0.00 N ATOM 1017 CA SER A 69 -21.437 1.053 -15.384 1.00 0.00 C ATOM 1018 C SER A 69 -22.676 0.299 -15.857 1.00 0.00 C ATOM 1019 O SER A 69 -22.574 -0.753 -16.486 1.00 0.00 O ATOM 1020 CB SER A 69 -20.576 1.447 -16.586 1.00 0.00 C ATOM 1021 OG SER A 69 -19.483 2.256 -16.187 1.00 0.00 O ATOM 0 H SER A 69 -19.882 -0.257 -14.873 1.00 0.00 H new ATOM 0 HA SER A 69 -21.759 1.956 -14.865 1.00 0.00 H new ATOM 0 HB2 SER A 69 -20.206 0.550 -17.082 1.00 0.00 H new ATOM 0 HB3 SER A 69 -21.185 1.985 -17.313 1.00 0.00 H new ATOM 0 HG SER A 69 -18.947 2.493 -16.973 1.00 0.00 H new ATOM 1027 N GLY A 70 -23.848 0.846 -15.547 1.00 0.00 N ATOM 1028 CA GLY A 70 -25.091 0.213 -15.947 1.00 0.00 C ATOM 1029 C GLY A 70 -26.220 0.487 -14.975 1.00 0.00 C ATOM 1030 O GLY A 70 -26.101 0.258 -13.771 1.00 0.00 O ATOM 0 H GLY A 70 -23.958 1.716 -15.026 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -25.374 0.569 -16.938 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -24.938 -0.863 -16.027 1.00 0.00 H new ATOM 1034 N PRO A 71 -27.348 0.991 -15.498 1.00 0.00 N ATOM 1035 CA PRO A 71 -28.525 1.309 -14.685 1.00 0.00 C ATOM 1036 C PRO A 71 -29.216 0.058 -14.151 1.00 0.00 C ATOM 1037 O PRO A 71 -30.217 0.146 -13.441 1.00 0.00 O ATOM 1038 CB PRO A 71 -29.442 2.050 -15.662 1.00 0.00 C ATOM 1039 CG PRO A 71 -29.038 1.557 -17.008 1.00 0.00 C ATOM 1040 CD PRO A 71 -27.560 1.288 -16.925 1.00 0.00 C ATOM 0 HA PRO A 71 -28.264 1.890 -13.800 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -30.491 1.835 -15.460 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -29.316 3.130 -15.582 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -29.585 0.652 -17.272 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -29.257 2.298 -17.777 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -27.268 0.450 -17.558 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -26.976 2.150 -17.247 1.00 0.00 H new ATOM 1048 N SER A 72 -28.674 -1.105 -14.497 1.00 0.00 N ATOM 1049 CA SER A 72 -29.240 -2.374 -14.054 1.00 0.00 C ATOM 1050 C SER A 72 -29.078 -2.545 -12.547 1.00 0.00 C ATOM 1051 O SER A 72 -28.043 -3.010 -12.072 1.00 0.00 O ATOM 1052 CB SER A 72 -28.570 -3.538 -14.786 1.00 0.00 C ATOM 1053 OG SER A 72 -28.951 -3.571 -16.151 1.00 0.00 O ATOM 0 H SER A 72 -27.844 -1.195 -15.083 1.00 0.00 H new ATOM 0 HA SER A 72 -30.304 -2.371 -14.289 1.00 0.00 H new ATOM 0 HB2 SER A 72 -27.487 -3.444 -14.710 1.00 0.00 H new ATOM 0 HB3 SER A 72 -28.843 -4.478 -14.307 1.00 0.00 H new ATOM 0 HG SER A 72 -28.508 -4.323 -16.596 1.00 0.00 H new ATOM 1059 N SER A 73 -30.110 -2.165 -11.801 1.00 0.00 N ATOM 1060 CA SER A 73 -30.083 -2.272 -10.347 1.00 0.00 C ATOM 1061 C SER A 73 -31.319 -3.003 -9.832 1.00 0.00 C ATOM 1062 O SER A 73 -32.394 -2.921 -10.425 1.00 0.00 O ATOM 1063 CB SER A 73 -29.998 -0.882 -9.713 1.00 0.00 C ATOM 1064 OG SER A 73 -30.202 -0.946 -8.313 1.00 0.00 O ATOM 0 H SER A 73 -30.975 -1.780 -12.179 1.00 0.00 H new ATOM 0 HA SER A 73 -29.200 -2.846 -10.067 1.00 0.00 H new ATOM 0 HB2 SER A 73 -29.022 -0.443 -9.922 1.00 0.00 H new ATOM 0 HB3 SER A 73 -30.745 -0.228 -10.163 1.00 0.00 H new ATOM 0 HG SER A 73 -30.141 -0.045 -7.932 1.00 0.00 H new ATOM 1070 N GLY A 74 -31.157 -3.719 -8.724 1.00 0.00 N ATOM 1071 CA GLY A 74 -32.267 -4.455 -8.147 1.00 0.00 C ATOM 1072 C GLY A 74 -32.829 -3.783 -6.910 1.00 0.00 C ATOM 1073 O GLY A 74 -32.076 -3.125 -6.193 1.00 0.00 O ATOM 0 H GLY A 74 -30.277 -3.803 -8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -33.057 -4.558 -8.891 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -31.937 -5.462 -7.891 1.00 0.00 H new TER 1077 GLY A 74 HETATM 1078 ZN ZN A 201 2.936 -9.265 -2.029 1.00 0.00 ZN HETATM 1079 ZN ZN A 401 -5.963 -2.855 -3.912 1.00 0.00 ZN