USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 588 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 Single : A 1 GLY N :NH3+ -123:sc= 0.0976 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.512 X(o=-0.51,f=-0.51) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.531 K(o=-0.53,f=-2.6!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0964 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.337 K(o=-0.34,f=-1) USER MOD Single : A 57 THR OG1 : rot 100:sc= -0.439 USER MOD Single : A 58 HIS : no HD1:sc= -5.58! C(o=-5.6!,f=-5.4!) USER MOD Single : A 62 SER OG : rot -20:sc= 0.946 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.838 K(o=-0.84,f=-1.4!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.00107 USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= -0.31 (180deg=-1.23!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.004 X(o=-0.004,f=-0.24) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 23:sc= 0.137! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.168 36.229 26.537 1.00 0.00 N ATOM 2 CA GLY A 1 1.981 34.790 26.541 1.00 0.00 C ATOM 3 C GLY A 1 0.666 34.379 27.174 1.00 0.00 C ATOM 4 O GLY A 1 -0.148 35.227 27.537 1.00 0.00 O ATOM 0 H1 GLY A 1 2.318 36.557 25.561 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.323 36.690 26.931 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.997 36.473 27.115 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.020 34.419 25.517 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.803 34.321 27.081 1.00 0.00 H new ATOM 8 N SER A 2 0.458 33.072 27.305 1.00 0.00 N ATOM 9 CA SER A 2 -0.769 32.549 27.894 1.00 0.00 C ATOM 10 C SER A 2 -0.687 31.035 28.065 1.00 0.00 C ATOM 11 O SER A 2 0.289 30.405 27.658 1.00 0.00 O ATOM 12 CB SER A 2 -1.973 32.910 27.021 1.00 0.00 C ATOM 13 OG SER A 2 -1.868 32.318 25.737 1.00 0.00 O ATOM 0 H SER A 2 1.123 32.357 27.011 1.00 0.00 H new ATOM 0 HA SER A 2 -0.893 33.003 28.877 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.891 32.576 27.505 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.042 33.993 26.921 1.00 0.00 H new ATOM 0 HG SER A 2 -2.650 32.562 25.199 1.00 0.00 H new ATOM 19 N SER A 3 -1.719 30.458 28.672 1.00 0.00 N ATOM 20 CA SER A 3 -1.763 29.019 28.902 1.00 0.00 C ATOM 21 C SER A 3 -2.981 28.398 28.225 1.00 0.00 C ATOM 22 O SER A 3 -3.867 29.104 27.745 1.00 0.00 O ATOM 23 CB SER A 3 -1.794 28.722 30.403 1.00 0.00 C ATOM 24 OG SER A 3 -1.257 27.440 30.680 1.00 0.00 O ATOM 0 H SER A 3 -2.536 30.965 29.013 1.00 0.00 H new ATOM 0 HA SER A 3 -0.864 28.579 28.470 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.225 29.482 30.939 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.820 28.776 30.767 1.00 0.00 H new ATOM 0 HG SER A 3 -1.286 27.275 31.646 1.00 0.00 H new ATOM 30 N GLY A 4 -3.017 27.069 28.189 1.00 0.00 N ATOM 31 CA GLY A 4 -4.129 26.373 27.568 1.00 0.00 C ATOM 32 C GLY A 4 -4.628 25.213 28.406 1.00 0.00 C ATOM 33 O GLY A 4 -4.150 24.992 29.519 1.00 0.00 O ATOM 0 H GLY A 4 -2.296 26.462 28.579 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.946 27.075 27.402 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.822 26.004 26.589 1.00 0.00 H new ATOM 37 N SER A 5 -5.592 24.471 27.872 1.00 0.00 N ATOM 38 CA SER A 5 -6.160 23.330 28.581 1.00 0.00 C ATOM 39 C SER A 5 -6.360 22.148 27.636 1.00 0.00 C ATOM 40 O SER A 5 -6.154 22.263 26.428 1.00 0.00 O ATOM 41 CB SER A 5 -7.494 23.714 29.224 1.00 0.00 C ATOM 42 OG SER A 5 -7.292 24.502 30.384 1.00 0.00 O ATOM 0 H SER A 5 -5.996 24.639 26.951 1.00 0.00 H new ATOM 0 HA SER A 5 -5.460 23.034 29.362 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.102 24.266 28.507 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.049 22.813 29.485 1.00 0.00 H new ATOM 0 HG SER A 5 -8.159 24.736 30.776 1.00 0.00 H new ATOM 48 N SER A 6 -6.762 21.012 28.197 1.00 0.00 N ATOM 49 CA SER A 6 -6.987 19.807 27.407 1.00 0.00 C ATOM 50 C SER A 6 -8.340 19.185 27.738 1.00 0.00 C ATOM 51 O SER A 6 -8.937 19.484 28.771 1.00 0.00 O ATOM 52 CB SER A 6 -5.870 18.792 27.658 1.00 0.00 C ATOM 53 OG SER A 6 -5.706 18.547 29.044 1.00 0.00 O ATOM 0 H SER A 6 -6.939 20.901 29.195 1.00 0.00 H new ATOM 0 HA SER A 6 -6.984 20.087 26.353 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.101 17.858 27.145 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.935 19.164 27.238 1.00 0.00 H new ATOM 0 HG SER A 6 -4.988 17.894 29.178 1.00 0.00 H new ATOM 59 N GLY A 7 -8.817 18.316 26.851 1.00 0.00 N ATOM 60 CA GLY A 7 -10.096 17.665 27.066 1.00 0.00 C ATOM 61 C GLY A 7 -10.531 16.834 25.875 1.00 0.00 C ATOM 62 O GLY A 7 -9.698 16.371 25.097 1.00 0.00 O ATOM 0 H GLY A 7 -8.341 18.052 25.989 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.032 17.026 27.947 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.854 18.420 27.275 1.00 0.00 H new ATOM 66 N GLU A 8 -11.839 16.644 25.733 1.00 0.00 N ATOM 67 CA GLU A 8 -12.381 15.860 24.629 1.00 0.00 C ATOM 68 C GLU A 8 -12.976 16.769 23.558 1.00 0.00 C ATOM 69 O GLU A 8 -13.745 17.683 23.859 1.00 0.00 O ATOM 70 CB GLU A 8 -13.448 14.890 25.140 1.00 0.00 C ATOM 71 CG GLU A 8 -14.738 15.572 25.564 1.00 0.00 C ATOM 72 CD GLU A 8 -15.731 15.702 24.425 1.00 0.00 C ATOM 73 OE1 GLU A 8 -15.992 14.686 23.747 1.00 0.00 O ATOM 74 OE2 GLU A 8 -16.246 16.819 24.211 1.00 0.00 O ATOM 0 H GLU A 8 -12.542 17.022 26.368 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.564 15.290 24.185 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.671 14.164 24.358 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.046 14.334 25.987 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.194 15.006 26.376 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.509 16.563 25.956 1.00 0.00 H new ATOM 81 N LEU A 9 -12.613 16.513 22.305 1.00 0.00 N ATOM 82 CA LEU A 9 -13.110 17.308 21.187 1.00 0.00 C ATOM 83 C LEU A 9 -14.133 16.522 20.373 1.00 0.00 C ATOM 84 O LEU A 9 -14.326 15.326 20.589 1.00 0.00 O ATOM 85 CB LEU A 9 -11.950 17.740 20.289 1.00 0.00 C ATOM 86 CG LEU A 9 -10.916 18.668 20.927 1.00 0.00 C ATOM 87 CD1 LEU A 9 -9.812 17.861 21.592 1.00 0.00 C ATOM 88 CD2 LEU A 9 -10.335 19.615 19.887 1.00 0.00 C ATOM 0 H LEU A 9 -11.977 15.762 22.038 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.599 18.195 21.591 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.437 16.845 19.937 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.362 18.237 19.411 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.414 19.263 21.693 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.086 18.539 22.040 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.242 17.226 22.366 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.316 17.239 20.846 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.601 20.268 20.359 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.853 19.038 19.098 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.135 20.219 19.458 1.00 0.00 H new ATOM 100 N GLU A 10 -14.785 17.204 19.436 1.00 0.00 N ATOM 101 CA GLU A 10 -15.788 16.569 18.589 1.00 0.00 C ATOM 102 C GLU A 10 -15.398 15.128 18.271 1.00 0.00 C ATOM 103 O GLU A 10 -14.230 14.810 18.044 1.00 0.00 O ATOM 104 CB GLU A 10 -15.966 17.359 17.291 1.00 0.00 C ATOM 105 CG GLU A 10 -16.753 18.647 17.466 1.00 0.00 C ATOM 106 CD GLU A 10 -18.241 18.404 17.632 1.00 0.00 C ATOM 107 OE1 GLU A 10 -18.626 17.739 18.616 1.00 0.00 O ATOM 108 OE2 GLU A 10 -19.019 18.878 16.778 1.00 0.00 O ATOM 0 H GLU A 10 -14.637 18.195 19.245 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.733 16.560 19.133 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.984 17.596 16.882 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.473 16.730 16.559 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.377 19.183 18.338 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.588 19.290 16.601 1.00 0.00 H new ATOM 115 N PRO A 11 -16.398 14.235 18.254 1.00 0.00 N ATOM 116 CA PRO A 11 -16.186 12.814 17.965 1.00 0.00 C ATOM 117 C PRO A 11 -15.811 12.568 16.508 1.00 0.00 C ATOM 118 O PRO A 11 -16.121 13.375 15.632 1.00 0.00 O ATOM 119 CB PRO A 11 -17.542 12.180 18.282 1.00 0.00 C ATOM 120 CG PRO A 11 -18.527 13.284 18.105 1.00 0.00 C ATOM 121 CD PRO A 11 -17.814 14.544 18.515 1.00 0.00 C ATOM 0 HA PRO A 11 -15.361 12.400 18.545 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -17.756 11.347 17.612 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -17.567 11.786 19.298 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -18.863 13.345 17.070 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -19.413 13.119 18.719 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -18.151 15.403 17.935 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -17.987 14.780 19.565 1.00 0.00 H new ATOM 129 N GLY A 12 -15.142 11.447 16.254 1.00 0.00 N ATOM 130 CA GLY A 12 -14.736 11.116 14.900 1.00 0.00 C ATOM 131 C GLY A 12 -14.345 12.340 14.096 1.00 0.00 C ATOM 132 O GLY A 12 -14.765 12.498 12.950 1.00 0.00 O ATOM 0 H GLY A 12 -14.874 10.763 16.961 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.894 10.424 14.935 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.552 10.599 14.395 1.00 0.00 H new ATOM 136 N ALA A 13 -13.540 13.209 14.698 1.00 0.00 N ATOM 137 CA ALA A 13 -13.093 14.425 14.030 1.00 0.00 C ATOM 138 C ALA A 13 -11.694 14.249 13.448 1.00 0.00 C ATOM 139 O ALA A 13 -10.698 14.599 14.082 1.00 0.00 O ATOM 140 CB ALA A 13 -13.120 15.599 14.997 1.00 0.00 C ATOM 0 H ALA A 13 -13.184 13.094 15.647 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.778 14.630 13.207 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.784 16.500 14.485 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.137 15.747 15.362 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.459 15.392 15.839 1.00 0.00 H new ATOM 146 N PHE A 14 -11.626 13.703 12.238 1.00 0.00 N ATOM 147 CA PHE A 14 -10.349 13.479 11.571 1.00 0.00 C ATOM 148 C PHE A 14 -10.348 14.095 10.175 1.00 0.00 C ATOM 149 O PHE A 14 -10.928 13.542 9.241 1.00 0.00 O ATOM 150 CB PHE A 14 -10.053 11.980 11.480 1.00 0.00 C ATOM 151 CG PHE A 14 -9.389 11.424 12.707 1.00 0.00 C ATOM 152 CD1 PHE A 14 -10.138 11.086 13.823 1.00 0.00 C ATOM 153 CD2 PHE A 14 -8.016 11.241 12.745 1.00 0.00 C ATOM 154 CE1 PHE A 14 -9.530 10.573 14.954 1.00 0.00 C ATOM 155 CE2 PHE A 14 -7.403 10.728 13.873 1.00 0.00 C ATOM 156 CZ PHE A 14 -8.161 10.396 14.979 1.00 0.00 C ATOM 0 H PHE A 14 -12.440 13.408 11.700 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.570 13.961 12.162 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.986 11.444 11.307 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.414 11.796 10.616 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.209 11.225 13.809 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.418 11.502 11.884 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.125 10.311 15.816 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.332 10.587 13.889 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.683 9.998 15.862 1.00 0.00 H new ATOM 166 N SER A 15 -9.693 15.244 10.042 1.00 0.00 N ATOM 167 CA SER A 15 -9.621 15.938 8.762 1.00 0.00 C ATOM 168 C SER A 15 -8.869 15.101 7.732 1.00 0.00 C ATOM 169 O SER A 15 -7.689 14.799 7.905 1.00 0.00 O ATOM 170 CB SER A 15 -8.934 17.295 8.933 1.00 0.00 C ATOM 171 OG SER A 15 -9.575 18.069 9.932 1.00 0.00 O ATOM 0 H SER A 15 -9.205 15.714 10.805 1.00 0.00 H new ATOM 0 HA SER A 15 -10.638 16.095 8.403 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.888 17.145 9.200 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.947 17.835 7.986 1.00 0.00 H new ATOM 0 HG SER A 15 -9.116 18.930 10.023 1.00 0.00 H new ATOM 177 N GLU A 16 -9.563 14.730 6.660 1.00 0.00 N ATOM 178 CA GLU A 16 -8.961 13.927 5.603 1.00 0.00 C ATOM 179 C GLU A 16 -9.350 14.460 4.227 1.00 0.00 C ATOM 180 O GLU A 16 -10.394 15.094 4.067 1.00 0.00 O ATOM 181 CB GLU A 16 -9.391 12.464 5.735 1.00 0.00 C ATOM 182 CG GLU A 16 -10.855 12.227 5.404 1.00 0.00 C ATOM 183 CD GLU A 16 -11.789 12.792 6.457 1.00 0.00 C ATOM 184 OE1 GLU A 16 -12.142 13.986 6.360 1.00 0.00 O ATOM 185 OE2 GLU A 16 -12.169 12.038 7.378 1.00 0.00 O ATOM 0 H GLU A 16 -10.541 14.973 6.501 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.878 13.991 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.775 11.852 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.199 12.128 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.084 12.680 4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.032 11.156 5.303 1.00 0.00 H new ATOM 192 N LEU A 17 -8.504 14.198 3.236 1.00 0.00 N ATOM 193 CA LEU A 17 -8.758 14.651 1.873 1.00 0.00 C ATOM 194 C LEU A 17 -9.459 13.567 1.061 1.00 0.00 C ATOM 195 O LEU A 17 -9.160 12.381 1.200 1.00 0.00 O ATOM 196 CB LEU A 17 -7.446 15.046 1.193 1.00 0.00 C ATOM 197 CG LEU A 17 -6.558 16.023 1.965 1.00 0.00 C ATOM 198 CD1 LEU A 17 -5.223 16.202 1.259 1.00 0.00 C ATOM 199 CD2 LEU A 17 -7.259 17.363 2.132 1.00 0.00 C ATOM 0 H LEU A 17 -7.636 13.674 3.351 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.411 15.522 1.922 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.872 14.139 1.000 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.680 15.487 0.224 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.370 15.609 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.604 16.900 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.715 15.240 1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.392 16.594 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.612 18.046 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.478 17.784 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.189 17.221 2.682 1.00 0.00 H new ATOM 211 N TYR A 18 -10.392 13.982 0.211 1.00 0.00 N ATOM 212 CA TYR A 18 -11.136 13.047 -0.624 1.00 0.00 C ATOM 213 C TYR A 18 -10.583 13.027 -2.046 1.00 0.00 C ATOM 214 O TYR A 18 -10.384 11.962 -2.630 1.00 0.00 O ATOM 215 CB TYR A 18 -12.619 13.420 -0.648 1.00 0.00 C ATOM 216 CG TYR A 18 -12.868 14.909 -0.732 1.00 0.00 C ATOM 217 CD1 TYR A 18 -12.807 15.710 0.402 1.00 0.00 C ATOM 218 CD2 TYR A 18 -13.163 15.516 -1.947 1.00 0.00 C ATOM 219 CE1 TYR A 18 -13.034 17.070 0.329 1.00 0.00 C ATOM 220 CE2 TYR A 18 -13.390 16.876 -2.030 1.00 0.00 C ATOM 221 CZ TYR A 18 -13.325 17.649 -0.889 1.00 0.00 C ATOM 222 OH TYR A 18 -13.550 19.004 -0.966 1.00 0.00 O ATOM 0 H TYR A 18 -10.651 14.960 0.082 1.00 0.00 H new ATOM 0 HA TYR A 18 -11.025 12.051 -0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -13.094 12.932 -1.499 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.098 13.030 0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -12.578 15.261 1.357 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.216 14.914 -2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.984 17.677 1.221 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -13.617 17.332 -2.983 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.740 19.252 -1.895 1.00 0.00 H new ATOM 232 N GLN A 19 -10.336 14.212 -2.594 1.00 0.00 N ATOM 233 CA GLN A 19 -9.806 14.331 -3.947 1.00 0.00 C ATOM 234 C GLN A 19 -8.377 13.804 -4.020 1.00 0.00 C ATOM 235 O GLN A 19 -8.048 12.992 -4.885 1.00 0.00 O ATOM 236 CB GLN A 19 -9.848 15.789 -4.408 1.00 0.00 C ATOM 237 CG GLN A 19 -11.154 16.178 -5.081 1.00 0.00 C ATOM 238 CD GLN A 19 -11.142 15.915 -6.574 1.00 0.00 C ATOM 239 OE1 GLN A 19 -10.520 16.652 -7.340 1.00 0.00 O ATOM 240 NE2 GLN A 19 -11.831 14.861 -6.995 1.00 0.00 N ATOM 0 H GLN A 19 -10.494 15.103 -2.123 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.430 13.730 -4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.685 16.438 -3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.025 15.966 -5.101 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.973 15.622 -4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.349 17.236 -4.904 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.332 14.278 -6.324 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.860 14.634 -7.989 1.00 0.00 H new ATOM 249 N ARG A 20 -7.532 14.271 -3.107 1.00 0.00 N ATOM 250 CA ARG A 20 -6.137 13.847 -3.069 1.00 0.00 C ATOM 251 C ARG A 20 -5.903 12.849 -1.938 1.00 0.00 C ATOM 252 O ARG A 20 -5.879 13.220 -0.764 1.00 0.00 O ATOM 253 CB ARG A 20 -5.219 15.058 -2.893 1.00 0.00 C ATOM 254 CG ARG A 20 -4.954 15.814 -4.185 1.00 0.00 C ATOM 255 CD ARG A 20 -6.101 16.753 -4.525 1.00 0.00 C ATOM 256 NE ARG A 20 -6.169 17.888 -3.609 1.00 0.00 N ATOM 257 CZ ARG A 20 -5.318 18.907 -3.637 1.00 0.00 C ATOM 258 NH1 ARG A 20 -4.340 18.934 -4.531 1.00 0.00 N ATOM 259 NH2 ARG A 20 -5.445 19.904 -2.770 1.00 0.00 N ATOM 0 H ARG A 20 -7.789 14.943 -2.384 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.905 13.358 -4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.665 15.739 -2.168 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.269 14.725 -2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.030 16.385 -4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.809 15.105 -5.000 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.981 17.117 -5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.042 16.203 -4.491 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.911 17.899 -2.909 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.239 18.171 -5.200 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.688 19.718 -4.550 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.197 19.888 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.791 20.686 -2.793 1.00 0.00 H new ATOM 273 N TYR A 21 -5.731 11.583 -2.300 1.00 0.00 N ATOM 274 CA TYR A 21 -5.502 10.531 -1.316 1.00 0.00 C ATOM 275 C TYR A 21 -4.019 10.181 -1.228 1.00 0.00 C ATOM 276 O TYR A 21 -3.474 9.517 -2.109 1.00 0.00 O ATOM 277 CB TYR A 21 -6.311 9.284 -1.674 1.00 0.00 C ATOM 278 CG TYR A 21 -6.271 8.210 -0.610 1.00 0.00 C ATOM 279 CD1 TYR A 21 -5.167 7.376 -0.478 1.00 0.00 C ATOM 280 CD2 TYR A 21 -7.336 8.030 0.263 1.00 0.00 C ATOM 281 CE1 TYR A 21 -5.127 6.393 0.492 1.00 0.00 C ATOM 282 CE2 TYR A 21 -7.304 7.050 1.237 1.00 0.00 C ATOM 283 CZ TYR A 21 -6.197 6.235 1.347 1.00 0.00 C ATOM 284 OH TYR A 21 -6.160 5.258 2.316 1.00 0.00 O ATOM 0 H TYR A 21 -5.746 11.260 -3.267 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.828 10.901 -0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.348 9.572 -1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.932 8.872 -2.609 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.326 7.498 -1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.204 8.667 0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.262 5.752 0.580 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.141 6.923 1.908 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.991 5.280 2.835 1.00 0.00 H new ATOM 294 N ARG A 22 -3.374 10.634 -0.158 1.00 0.00 N ATOM 295 CA ARG A 22 -1.955 10.370 0.046 1.00 0.00 C ATOM 296 C ARG A 22 -1.698 9.837 1.453 1.00 0.00 C ATOM 297 O ARG A 22 -1.552 10.607 2.403 1.00 0.00 O ATOM 298 CB ARG A 22 -1.139 11.644 -0.185 1.00 0.00 C ATOM 299 CG ARG A 22 -1.678 12.855 0.558 1.00 0.00 C ATOM 300 CD ARG A 22 -1.067 14.146 0.035 1.00 0.00 C ATOM 301 NE ARG A 22 -1.584 14.500 -1.285 1.00 0.00 N ATOM 302 CZ ARG A 22 -1.529 15.728 -1.790 1.00 0.00 C ATOM 303 NH1 ARG A 22 -0.983 16.713 -1.090 1.00 0.00 N ATOM 304 NH2 ARG A 22 -2.020 15.971 -2.998 1.00 0.00 N ATOM 0 H ARG A 22 -3.811 11.185 0.580 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.645 9.612 -0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.109 11.467 0.125 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.118 11.863 -1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.762 12.895 0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.465 12.755 1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.275 14.955 0.735 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.017 14.040 -0.016 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.010 13.765 -1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.604 16.529 -0.161 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.942 17.654 -1.480 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.440 15.215 -3.539 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.978 16.914 -3.386 1.00 0.00 H new ATOM 318 N HIS A 23 -1.644 8.515 1.579 1.00 0.00 N ATOM 319 CA HIS A 23 -1.404 7.879 2.869 1.00 0.00 C ATOM 320 C HIS A 23 -0.751 6.512 2.688 1.00 0.00 C ATOM 321 O HIS A 23 -1.349 5.596 2.123 1.00 0.00 O ATOM 322 CB HIS A 23 -2.717 7.732 3.640 1.00 0.00 C ATOM 323 CG HIS A 23 -3.227 9.021 4.206 1.00 0.00 C ATOM 324 ND1 HIS A 23 -4.278 9.722 3.654 1.00 0.00 N ATOM 325 CD2 HIS A 23 -2.825 9.735 5.284 1.00 0.00 C ATOM 326 CE1 HIS A 23 -4.500 10.812 4.366 1.00 0.00 C ATOM 327 NE2 HIS A 23 -3.632 10.844 5.361 1.00 0.00 N ATOM 0 H HIS A 23 -1.763 7.863 0.803 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.725 8.513 3.439 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.473 7.312 2.977 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -2.574 7.019 4.452 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -2.020 9.480 5.958 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.262 11.552 4.168 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -3.571 11.574 6.071 1.00 0.00 H new ATOM 336 N CYS A 24 0.481 6.383 3.170 1.00 0.00 N ATOM 337 CA CYS A 24 1.217 5.129 3.061 1.00 0.00 C ATOM 338 C CYS A 24 0.460 3.993 3.744 1.00 0.00 C ATOM 339 O CYS A 24 0.341 3.960 4.968 1.00 0.00 O ATOM 340 CB CYS A 24 2.608 5.275 3.681 1.00 0.00 C ATOM 341 SG CYS A 24 3.441 3.690 4.020 1.00 0.00 S ATOM 0 H CYS A 24 0.990 7.132 3.640 1.00 0.00 H new ATOM 0 HA CYS A 24 1.321 4.888 2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.233 5.866 3.011 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.522 5.835 4.612 1.00 0.00 H new ATOM 346 N ASP A 25 -0.048 3.063 2.942 1.00 0.00 N ATOM 347 CA ASP A 25 -0.792 1.924 3.468 1.00 0.00 C ATOM 348 C ASP A 25 -0.105 0.612 3.103 1.00 0.00 C ATOM 349 O ASP A 25 -0.734 -0.446 3.089 1.00 0.00 O ATOM 350 CB ASP A 25 -2.224 1.932 2.931 1.00 0.00 C ATOM 351 CG ASP A 25 -3.186 1.193 3.840 1.00 0.00 C ATOM 352 OD1 ASP A 25 -2.851 0.070 4.272 1.00 0.00 O ATOM 353 OD2 ASP A 25 -4.276 1.737 4.120 1.00 0.00 O ATOM 0 H ASP A 25 0.042 3.076 1.926 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.820 2.009 4.554 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.559 2.962 2.813 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.241 1.476 1.941 1.00 0.00 H new ATOM 358 N ALA A 26 1.188 0.688 2.806 1.00 0.00 N ATOM 359 CA ALA A 26 1.960 -0.493 2.441 1.00 0.00 C ATOM 360 C ALA A 26 2.227 -1.372 3.659 1.00 0.00 C ATOM 361 O ALA A 26 2.015 -0.969 4.803 1.00 0.00 O ATOM 362 CB ALA A 26 3.270 -0.086 1.784 1.00 0.00 C ATOM 0 H ALA A 26 1.723 1.556 2.811 1.00 0.00 H new ATOM 0 HA ALA A 26 1.374 -1.073 1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.836 -0.979 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.061 0.494 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.853 0.519 2.479 1.00 0.00 H new ATOM 368 N PRO A 27 2.702 -2.601 3.410 1.00 0.00 N ATOM 369 CA PRO A 27 3.008 -3.562 4.473 1.00 0.00 C ATOM 370 C PRO A 27 4.226 -3.151 5.293 1.00 0.00 C ATOM 371 O PRO A 27 4.186 -3.152 6.524 1.00 0.00 O ATOM 372 CB PRO A 27 3.290 -4.858 3.710 1.00 0.00 C ATOM 373 CG PRO A 27 3.736 -4.413 2.360 1.00 0.00 C ATOM 374 CD PRO A 27 2.978 -3.147 2.070 1.00 0.00 C ATOM 0 HA PRO A 27 2.195 -3.644 5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.059 -5.450 4.206 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.399 -5.482 3.647 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.811 -4.237 2.343 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.526 -5.174 1.609 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.567 -2.455 1.467 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.058 -3.346 1.520 1.00 0.00 H new ATOM 382 N ILE A 28 5.306 -2.799 4.604 1.00 0.00 N ATOM 383 CA ILE A 28 6.535 -2.384 5.270 1.00 0.00 C ATOM 384 C ILE A 28 7.091 -1.107 4.651 1.00 0.00 C ATOM 385 O ILE A 28 7.075 -0.937 3.431 1.00 0.00 O ATOM 386 CB ILE A 28 7.610 -3.485 5.203 1.00 0.00 C ATOM 387 CG1 ILE A 28 7.084 -4.781 5.823 1.00 0.00 C ATOM 388 CG2 ILE A 28 8.878 -3.029 5.911 1.00 0.00 C ATOM 389 CD1 ILE A 28 6.786 -4.666 7.302 1.00 0.00 C ATOM 0 H ILE A 28 5.355 -2.793 3.585 1.00 0.00 H new ATOM 0 HA ILE A 28 6.282 -2.198 6.314 1.00 0.00 H new ATOM 0 HB ILE A 28 7.849 -3.677 4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.176 -5.082 5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.818 -5.572 5.669 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.629 -3.817 5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.260 -2.129 5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.654 -2.814 6.956 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.417 -5.622 7.674 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.696 -4.395 7.837 1.00 0.00 H new ATOM 0 HD13 ILE A 28 6.029 -3.898 7.462 1.00 0.00 H new ATOM 401 N CYS A 29 7.584 -0.211 5.499 1.00 0.00 N ATOM 402 CA CYS A 29 8.148 1.052 5.036 1.00 0.00 C ATOM 403 C CYS A 29 9.632 1.143 5.379 1.00 0.00 C ATOM 404 O CYS A 29 10.046 0.805 6.489 1.00 0.00 O ATOM 405 CB CYS A 29 7.395 2.229 5.659 1.00 0.00 C ATOM 406 SG CYS A 29 7.379 3.730 4.628 1.00 0.00 S ATOM 0 H CYS A 29 7.605 -0.336 6.511 1.00 0.00 H new ATOM 0 HA CYS A 29 8.041 1.094 3.952 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.367 1.925 5.856 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.847 2.467 6.622 1.00 0.00 H new ATOM 411 N LEU A 30 10.428 1.603 4.420 1.00 0.00 N ATOM 412 CA LEU A 30 11.866 1.740 4.620 1.00 0.00 C ATOM 413 C LEU A 30 12.254 3.205 4.798 1.00 0.00 C ATOM 414 O LEU A 30 13.184 3.526 5.539 1.00 0.00 O ATOM 415 CB LEU A 30 12.625 1.140 3.436 1.00 0.00 C ATOM 416 CG LEU A 30 12.223 -0.279 3.031 1.00 0.00 C ATOM 417 CD1 LEU A 30 12.430 -0.487 1.539 1.00 0.00 C ATOM 418 CD2 LEU A 30 13.013 -1.306 3.829 1.00 0.00 C ATOM 0 H LEU A 30 10.102 1.887 3.496 1.00 0.00 H new ATOM 0 HA LEU A 30 12.135 1.199 5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.490 1.794 2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.689 1.141 3.674 1.00 0.00 H new ATOM 0 HG LEU A 30 11.164 -0.413 3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.139 -1.502 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.819 0.225 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.481 -0.333 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.714 -2.310 3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.078 -1.173 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.814 -1.172 4.892 1.00 0.00 H new ATOM 430 N TYR A 31 11.535 4.089 4.115 1.00 0.00 N ATOM 431 CA TYR A 31 11.804 5.519 4.196 1.00 0.00 C ATOM 432 C TYR A 31 11.750 6.002 5.642 1.00 0.00 C ATOM 433 O TYR A 31 10.673 6.159 6.216 1.00 0.00 O ATOM 434 CB TYR A 31 10.796 6.298 3.349 1.00 0.00 C ATOM 435 CG TYR A 31 11.315 7.634 2.867 1.00 0.00 C ATOM 436 CD1 TYR A 31 12.586 7.752 2.320 1.00 0.00 C ATOM 437 CD2 TYR A 31 10.532 8.779 2.958 1.00 0.00 C ATOM 438 CE1 TYR A 31 13.064 8.971 1.879 1.00 0.00 C ATOM 439 CE2 TYR A 31 11.001 10.002 2.519 1.00 0.00 C ATOM 440 CZ TYR A 31 12.268 10.093 1.981 1.00 0.00 C ATOM 441 OH TYR A 31 12.740 11.309 1.541 1.00 0.00 O ATOM 0 H TYR A 31 10.761 3.840 3.499 1.00 0.00 H new ATOM 0 HA TYR A 31 12.808 5.696 3.809 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.515 5.694 2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.890 6.459 3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.212 6.876 2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.540 8.711 3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 31 14.055 9.045 1.457 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.379 10.882 2.597 1.00 0.00 H new ATOM 0 HH TYR A 31 12.056 11.996 1.683 1.00 0.00 H new ATOM 451 N GLU A 32 12.922 6.237 6.225 1.00 0.00 N ATOM 452 CA GLU A 32 13.009 6.702 7.604 1.00 0.00 C ATOM 453 C GLU A 32 11.843 7.627 7.941 1.00 0.00 C ATOM 454 O GLU A 32 11.301 7.581 9.045 1.00 0.00 O ATOM 455 CB GLU A 32 14.335 7.429 7.838 1.00 0.00 C ATOM 456 CG GLU A 32 15.556 6.547 7.639 1.00 0.00 C ATOM 457 CD GLU A 32 16.058 6.561 6.208 1.00 0.00 C ATOM 458 OE1 GLU A 32 16.873 7.445 5.873 1.00 0.00 O ATOM 459 OE2 GLU A 32 15.636 5.686 5.423 1.00 0.00 O ATOM 0 H GLU A 32 13.823 6.113 5.764 1.00 0.00 H new ATOM 0 HA GLU A 32 12.960 5.831 8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 32 14.398 8.280 7.160 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.347 7.828 8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.353 6.881 8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.311 5.524 7.924 1.00 0.00 H new ATOM 466 N GLN A 33 11.464 8.465 6.982 1.00 0.00 N ATOM 467 CA GLN A 33 10.364 9.402 7.177 1.00 0.00 C ATOM 468 C GLN A 33 9.148 8.697 7.770 1.00 0.00 C ATOM 469 O GLN A 33 8.656 9.075 8.832 1.00 0.00 O ATOM 470 CB GLN A 33 9.988 10.064 5.850 1.00 0.00 C ATOM 471 CG GLN A 33 9.436 11.471 6.008 1.00 0.00 C ATOM 472 CD GLN A 33 10.500 12.474 6.408 1.00 0.00 C ATOM 473 OE1 GLN A 33 10.995 12.455 7.535 1.00 0.00 O ATOM 474 NE2 GLN A 33 10.858 13.358 5.484 1.00 0.00 N ATOM 0 H GLN A 33 11.902 8.514 6.062 1.00 0.00 H new ATOM 0 HA GLN A 33 10.694 10.170 7.877 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.868 10.098 5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.247 9.447 5.342 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.980 11.786 5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.647 11.465 6.760 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.422 13.337 4.562 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.569 14.057 5.696 1.00 0.00 H new ATOM 483 N GLY A 34 8.668 7.670 7.075 1.00 0.00 N ATOM 484 CA GLY A 34 7.513 6.930 7.549 1.00 0.00 C ATOM 485 C GLY A 34 6.239 7.748 7.497 1.00 0.00 C ATOM 486 O GLY A 34 5.442 7.728 8.436 1.00 0.00 O ATOM 0 H GLY A 34 9.058 7.338 6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.389 6.031 6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.690 6.604 8.574 1.00 0.00 H new ATOM 490 N ARG A 35 6.045 8.471 6.399 1.00 0.00 N ATOM 491 CA ARG A 35 4.860 9.302 6.230 1.00 0.00 C ATOM 492 C ARG A 35 4.480 9.416 4.757 1.00 0.00 C ATOM 493 O ARG A 35 5.087 8.775 3.898 1.00 0.00 O ATOM 494 CB ARG A 35 5.101 10.696 6.815 1.00 0.00 C ATOM 495 CG ARG A 35 5.825 11.637 5.866 1.00 0.00 C ATOM 496 CD ARG A 35 6.224 12.929 6.561 1.00 0.00 C ATOM 497 NE ARG A 35 6.770 13.908 5.625 1.00 0.00 N ATOM 498 CZ ARG A 35 6.020 14.663 4.829 1.00 0.00 C ATOM 499 NH1 ARG A 35 4.699 14.552 4.857 1.00 0.00 N ATOM 500 NH2 ARG A 35 6.591 15.531 4.004 1.00 0.00 N ATOM 0 H ARG A 35 6.694 8.498 5.613 1.00 0.00 H new ATOM 0 HA ARG A 35 4.036 8.828 6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.142 11.137 7.089 1.00 0.00 H new ATOM 0 HB3 ARG A 35 5.682 10.601 7.732 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.714 11.145 5.472 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.182 11.863 5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.355 13.354 7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.964 12.713 7.332 1.00 0.00 H new ATOM 0 HE ARG A 35 7.783 14.018 5.580 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.256 13.886 5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.125 15.133 4.245 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.607 15.619 3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.014 16.110 3.394 1.00 0.00 H new ATOM 514 N ASP A 36 3.474 10.235 4.472 1.00 0.00 N ATOM 515 CA ASP A 36 3.014 10.433 3.102 1.00 0.00 C ATOM 516 C ASP A 36 3.940 11.382 2.349 1.00 0.00 C ATOM 517 O ASP A 36 3.483 12.292 1.657 1.00 0.00 O ATOM 518 CB ASP A 36 1.586 10.981 3.096 1.00 0.00 C ATOM 519 CG ASP A 36 1.362 12.026 4.172 1.00 0.00 C ATOM 520 OD1 ASP A 36 1.171 11.639 5.343 1.00 0.00 O ATOM 521 OD2 ASP A 36 1.377 13.231 3.842 1.00 0.00 O ATOM 0 H ASP A 36 2.961 10.773 5.171 1.00 0.00 H new ATOM 0 HA ASP A 36 3.027 9.467 2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.371 11.417 2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.884 10.160 3.240 1.00 0.00 H new ATOM 526 N SER A 37 5.244 11.165 2.491 1.00 0.00 N ATOM 527 CA SER A 37 6.235 12.005 1.829 1.00 0.00 C ATOM 528 C SER A 37 6.797 11.310 0.592 1.00 0.00 C ATOM 529 O SER A 37 7.324 10.200 0.675 1.00 0.00 O ATOM 530 CB SER A 37 7.371 12.349 2.794 1.00 0.00 C ATOM 531 OG SER A 37 8.256 13.297 2.224 1.00 0.00 O ATOM 0 H SER A 37 5.638 10.415 3.058 1.00 0.00 H new ATOM 0 HA SER A 37 5.743 12.926 1.516 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.957 12.745 3.721 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.920 11.443 3.051 1.00 0.00 H new ATOM 0 HG SER A 37 8.972 13.501 2.862 1.00 0.00 H new ATOM 537 N PHE A 38 6.680 11.970 -0.555 1.00 0.00 N ATOM 538 CA PHE A 38 7.174 11.416 -1.810 1.00 0.00 C ATOM 539 C PHE A 38 7.772 12.511 -2.689 1.00 0.00 C ATOM 540 O PHE A 38 7.523 13.697 -2.476 1.00 0.00 O ATOM 541 CB PHE A 38 6.045 10.705 -2.558 1.00 0.00 C ATOM 542 CG PHE A 38 5.178 9.858 -1.671 1.00 0.00 C ATOM 543 CD1 PHE A 38 4.220 10.440 -0.856 1.00 0.00 C ATOM 544 CD2 PHE A 38 5.322 8.480 -1.651 1.00 0.00 C ATOM 545 CE1 PHE A 38 3.421 9.663 -0.039 1.00 0.00 C ATOM 546 CE2 PHE A 38 4.525 7.699 -0.836 1.00 0.00 C ATOM 547 CZ PHE A 38 3.574 8.291 -0.028 1.00 0.00 C ATOM 0 H PHE A 38 6.247 12.890 -0.642 1.00 0.00 H new ATOM 0 HA PHE A 38 7.956 10.694 -1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.424 11.450 -3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.476 10.077 -3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 38 4.097 11.513 -0.859 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.065 8.011 -2.279 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.677 10.129 0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.646 6.626 -0.831 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.952 7.682 0.611 1.00 0.00 H new ATOM 557 N GLU A 39 8.562 12.103 -3.677 1.00 0.00 N ATOM 558 CA GLU A 39 9.197 13.048 -4.588 1.00 0.00 C ATOM 559 C GLU A 39 8.677 12.866 -6.011 1.00 0.00 C ATOM 560 O GLU A 39 8.183 11.797 -6.370 1.00 0.00 O ATOM 561 CB GLU A 39 10.717 12.874 -4.562 1.00 0.00 C ATOM 562 CG GLU A 39 11.481 14.156 -4.848 1.00 0.00 C ATOM 563 CD GLU A 39 11.730 14.978 -3.599 1.00 0.00 C ATOM 564 OE1 GLU A 39 10.745 15.445 -2.989 1.00 0.00 O ATOM 565 OE2 GLU A 39 12.910 15.154 -3.230 1.00 0.00 O ATOM 0 H GLU A 39 8.778 11.124 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 39 8.949 14.056 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.014 12.494 -3.584 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.001 12.120 -5.297 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.436 13.909 -5.312 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.922 14.755 -5.567 1.00 0.00 H new ATOM 572 N ASP A 40 8.791 13.917 -6.815 1.00 0.00 N ATOM 573 CA ASP A 40 8.333 13.874 -8.199 1.00 0.00 C ATOM 574 C ASP A 40 8.558 12.491 -8.803 1.00 0.00 C ATOM 575 O ASP A 40 7.692 11.958 -9.496 1.00 0.00 O ATOM 576 CB ASP A 40 9.060 14.931 -9.032 1.00 0.00 C ATOM 577 CG ASP A 40 8.224 15.426 -10.196 1.00 0.00 C ATOM 578 OD1 ASP A 40 7.519 14.600 -10.813 1.00 0.00 O ATOM 579 OD2 ASP A 40 8.275 16.638 -10.492 1.00 0.00 O ATOM 0 H ASP A 40 9.197 14.809 -6.532 1.00 0.00 H new ATOM 0 HA ASP A 40 7.264 14.086 -8.209 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.324 15.774 -8.394 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.993 14.513 -9.410 1.00 0.00 H new ATOM 584 N GLU A 41 9.727 11.916 -8.535 1.00 0.00 N ATOM 585 CA GLU A 41 10.065 10.596 -9.054 1.00 0.00 C ATOM 586 C GLU A 41 11.084 9.902 -8.154 1.00 0.00 C ATOM 587 O GLU A 41 11.758 10.545 -7.351 1.00 0.00 O ATOM 588 CB GLU A 41 10.617 10.709 -10.476 1.00 0.00 C ATOM 589 CG GLU A 41 9.665 11.386 -11.448 1.00 0.00 C ATOM 590 CD GLU A 41 10.107 11.246 -12.891 1.00 0.00 C ATOM 591 OE1 GLU A 41 10.604 10.160 -13.257 1.00 0.00 O ATOM 592 OE2 GLU A 41 9.957 12.222 -13.656 1.00 0.00 O ATOM 0 H GLU A 41 10.455 12.343 -7.962 1.00 0.00 H new ATOM 0 HA GLU A 41 9.155 9.997 -9.072 1.00 0.00 H new ATOM 0 HB2 GLU A 41 11.553 11.267 -10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 41 10.851 9.711 -10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.669 10.957 -11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.587 12.444 -11.197 1.00 0.00 H new ATOM 599 N GLY A 42 11.189 8.585 -8.296 1.00 0.00 N ATOM 600 CA GLY A 42 12.126 7.825 -7.490 1.00 0.00 C ATOM 601 C GLY A 42 11.437 6.801 -6.610 1.00 0.00 C ATOM 602 O GLY A 42 10.222 6.854 -6.419 1.00 0.00 O ATOM 0 H GLY A 42 10.642 8.031 -8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.836 7.318 -8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.701 8.509 -6.865 1.00 0.00 H new ATOM 606 N ARG A 43 12.214 5.865 -6.074 1.00 0.00 N ATOM 607 CA ARG A 43 11.670 4.822 -5.212 1.00 0.00 C ATOM 608 C ARG A 43 10.616 5.392 -4.267 1.00 0.00 C ATOM 609 O ARG A 43 9.605 4.748 -3.988 1.00 0.00 O ATOM 610 CB ARG A 43 12.790 4.163 -4.405 1.00 0.00 C ATOM 611 CG ARG A 43 13.616 5.147 -3.593 1.00 0.00 C ATOM 612 CD ARG A 43 14.824 4.472 -2.961 1.00 0.00 C ATOM 613 NE ARG A 43 14.448 3.292 -2.186 1.00 0.00 N ATOM 614 CZ ARG A 43 15.290 2.307 -1.893 1.00 0.00 C ATOM 615 NH1 ARG A 43 16.548 2.360 -2.307 1.00 0.00 N ATOM 616 NH2 ARG A 43 14.873 1.267 -1.183 1.00 0.00 N ATOM 0 H ARG A 43 13.222 5.808 -6.221 1.00 0.00 H new ATOM 0 HA ARG A 43 11.197 4.072 -5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.355 3.425 -3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.449 3.624 -5.086 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.948 5.962 -4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.995 5.588 -2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.528 4.184 -3.742 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.339 5.182 -2.314 1.00 0.00 H new ATOM 0 HE ARG A 43 13.487 3.221 -1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.872 3.159 -2.852 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.192 1.602 -2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.906 1.223 -0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.520 0.511 -0.958 1.00 0.00 H new ATOM 630 N TRP A 44 10.859 6.603 -3.780 1.00 0.00 N ATOM 631 CA TRP A 44 9.931 7.260 -2.866 1.00 0.00 C ATOM 632 C TRP A 44 8.885 8.060 -3.635 1.00 0.00 C ATOM 633 O TRP A 44 8.475 9.138 -3.204 1.00 0.00 O ATOM 634 CB TRP A 44 10.691 8.179 -1.907 1.00 0.00 C ATOM 635 CG TRP A 44 11.938 7.558 -1.354 1.00 0.00 C ATOM 636 CD1 TRP A 44 13.207 8.055 -1.437 1.00 0.00 C ATOM 637 CD2 TRP A 44 12.034 6.325 -0.633 1.00 0.00 C ATOM 638 NE1 TRP A 44 14.087 7.205 -0.812 1.00 0.00 N ATOM 639 CE2 TRP A 44 13.392 6.137 -0.309 1.00 0.00 C ATOM 640 CE3 TRP A 44 11.106 5.363 -0.227 1.00 0.00 C ATOM 641 CZ2 TRP A 44 13.841 5.025 0.399 1.00 0.00 C ATOM 642 CZ3 TRP A 44 11.553 4.260 0.476 1.00 0.00 C ATOM 643 CH2 TRP A 44 12.910 4.099 0.783 1.00 0.00 C ATOM 0 H TRP A 44 11.691 7.150 -4.002 1.00 0.00 H new ATOM 0 HA TRP A 44 9.420 6.489 -2.290 1.00 0.00 H new ATOM 0 HB2 TRP A 44 10.952 9.100 -2.428 1.00 0.00 H new ATOM 0 HB3 TRP A 44 10.034 8.455 -1.082 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.479 8.980 -1.923 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.094 7.346 -0.735 1.00 0.00 H new ATOM 0 HE3 TRP A 44 10.057 5.479 -0.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 14.887 4.898 0.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 10.844 3.510 0.794 1.00 0.00 H new ATOM 0 HH2 TRP A 44 13.228 3.226 1.334 1.00 0.00 H new ATOM 654 N ARG A 45 8.458 7.526 -4.774 1.00 0.00 N ATOM 655 CA ARG A 45 7.460 8.192 -5.603 1.00 0.00 C ATOM 656 C ARG A 45 6.052 7.738 -5.229 1.00 0.00 C ATOM 657 O ARG A 45 5.747 6.545 -5.250 1.00 0.00 O ATOM 658 CB ARG A 45 7.723 7.907 -7.083 1.00 0.00 C ATOM 659 CG ARG A 45 7.615 6.436 -7.448 1.00 0.00 C ATOM 660 CD ARG A 45 8.291 6.141 -8.778 1.00 0.00 C ATOM 661 NE ARG A 45 7.755 4.938 -9.410 1.00 0.00 N ATOM 662 CZ ARG A 45 8.373 4.285 -10.388 1.00 0.00 C ATOM 663 NH1 ARG A 45 9.541 4.715 -10.843 1.00 0.00 N ATOM 664 NH2 ARG A 45 7.821 3.198 -10.912 1.00 0.00 N ATOM 0 H ARG A 45 8.787 6.634 -5.144 1.00 0.00 H new ATOM 0 HA ARG A 45 7.536 9.265 -5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.014 8.475 -7.685 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.720 8.265 -7.342 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.071 5.831 -6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.565 6.149 -7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.160 6.991 -9.448 1.00 0.00 H new ATOM 0 HD3 ARG A 45 9.363 6.021 -8.621 1.00 0.00 H new ATOM 0 HE ARG A 45 6.858 4.580 -9.083 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.968 5.550 -10.442 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.013 4.211 -11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 45 6.922 2.864 -10.564 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.295 2.697 -11.663 1.00 0.00 H new ATOM 678 N LEU A 46 5.199 8.697 -4.886 1.00 0.00 N ATOM 679 CA LEU A 46 3.823 8.396 -4.506 1.00 0.00 C ATOM 680 C LEU A 46 3.094 7.668 -5.631 1.00 0.00 C ATOM 681 O LEU A 46 2.750 8.267 -6.651 1.00 0.00 O ATOM 682 CB LEU A 46 3.078 9.685 -4.151 1.00 0.00 C ATOM 683 CG LEU A 46 1.903 9.536 -3.183 1.00 0.00 C ATOM 684 CD1 LEU A 46 1.402 10.901 -2.739 1.00 0.00 C ATOM 685 CD2 LEU A 46 0.780 8.736 -3.827 1.00 0.00 C ATOM 0 H LEU A 46 5.436 9.689 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 46 3.847 7.745 -3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.792 10.387 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.709 10.133 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 46 2.248 8.995 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.566 10.776 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.207 11.439 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.073 11.469 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.048 8.640 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.436 9.250 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.146 7.745 -4.094 1.00 0.00 H new ATOM 697 N ILE A 47 2.861 6.375 -5.438 1.00 0.00 N ATOM 698 CA ILE A 47 2.170 5.566 -6.435 1.00 0.00 C ATOM 699 C ILE A 47 0.715 5.335 -6.042 1.00 0.00 C ATOM 700 O ILE A 47 0.426 4.835 -4.954 1.00 0.00 O ATOM 701 CB ILE A 47 2.860 4.204 -6.631 1.00 0.00 C ATOM 702 CG1 ILE A 47 4.301 4.401 -7.108 1.00 0.00 C ATOM 703 CG2 ILE A 47 2.080 3.353 -7.622 1.00 0.00 C ATOM 704 CD1 ILE A 47 4.971 3.120 -7.553 1.00 0.00 C ATOM 0 H ILE A 47 3.140 5.864 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 47 2.207 6.120 -7.373 1.00 0.00 H new ATOM 0 HB ILE A 47 2.882 3.684 -5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.307 5.111 -7.935 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.884 4.845 -6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.580 2.393 -7.750 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.071 3.189 -7.245 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.029 3.867 -8.582 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.989 3.336 -7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.997 2.415 -6.722 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.411 2.685 -8.381 1.00 0.00 H new ATOM 716 N LEU A 48 -0.198 5.700 -6.936 1.00 0.00 N ATOM 717 CA LEU A 48 -1.625 5.530 -6.684 1.00 0.00 C ATOM 718 C LEU A 48 -2.169 4.315 -7.429 1.00 0.00 C ATOM 719 O LEU A 48 -1.809 4.067 -8.580 1.00 0.00 O ATOM 720 CB LEU A 48 -2.390 6.785 -7.106 1.00 0.00 C ATOM 721 CG LEU A 48 -2.249 7.998 -6.186 1.00 0.00 C ATOM 722 CD1 LEU A 48 -2.904 9.221 -6.811 1.00 0.00 C ATOM 723 CD2 LEU A 48 -2.854 7.706 -4.821 1.00 0.00 C ATOM 0 H LEU A 48 0.024 6.115 -7.841 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.763 5.369 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.057 7.070 -8.104 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.448 6.533 -7.182 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.188 8.207 -6.053 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.794 10.075 -6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.425 9.443 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.963 9.023 -6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.744 8.581 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.912 7.470 -4.935 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.340 6.858 -4.369 1.00 0.00 H new ATOM 735 N CYS A 49 -3.039 3.561 -6.766 1.00 0.00 N ATOM 736 CA CYS A 49 -3.634 2.373 -7.364 1.00 0.00 C ATOM 737 C CYS A 49 -4.042 2.638 -8.811 1.00 0.00 C ATOM 738 O CYS A 49 -4.313 3.777 -9.191 1.00 0.00 O ATOM 739 CB CYS A 49 -4.852 1.923 -6.554 1.00 0.00 C ATOM 740 SG CYS A 49 -5.628 0.393 -7.165 1.00 0.00 S ATOM 0 H CYS A 49 -3.348 3.752 -5.813 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.887 1.580 -7.355 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.551 1.776 -5.517 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.594 2.721 -6.560 1.00 0.00 H new ATOM 745 N ALA A 50 -4.084 1.579 -9.612 1.00 0.00 N ATOM 746 CA ALA A 50 -4.461 1.697 -11.015 1.00 0.00 C ATOM 747 C ALA A 50 -5.873 1.172 -11.250 1.00 0.00 C ATOM 748 O ALA A 50 -6.668 1.791 -11.958 1.00 0.00 O ATOM 749 CB ALA A 50 -3.466 0.952 -11.893 1.00 0.00 C ATOM 0 H ALA A 50 -3.862 0.629 -9.313 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.445 2.754 -11.282 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.760 1.048 -12.938 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.471 1.375 -11.755 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.454 -0.102 -11.615 1.00 0.00 H new ATOM 755 N THR A 51 -6.181 0.025 -10.652 1.00 0.00 N ATOM 756 CA THR A 51 -7.497 -0.584 -10.797 1.00 0.00 C ATOM 757 C THR A 51 -8.600 0.383 -10.382 1.00 0.00 C ATOM 758 O THR A 51 -9.563 0.595 -11.119 1.00 0.00 O ATOM 759 CB THR A 51 -7.616 -1.871 -9.959 1.00 0.00 C ATOM 760 OG1 THR A 51 -6.746 -2.880 -10.485 1.00 0.00 O ATOM 761 CG2 THR A 51 -9.049 -2.382 -9.953 1.00 0.00 C ATOM 0 H THR A 51 -5.536 -0.501 -10.062 1.00 0.00 H new ATOM 0 HA THR A 51 -7.615 -0.834 -11.851 1.00 0.00 H new ATOM 0 HB THR A 51 -7.325 -1.640 -8.934 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.826 -3.694 -9.946 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.108 -3.291 -9.355 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.704 -1.623 -9.525 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.362 -2.598 -10.974 1.00 0.00 H new ATOM 769 N CYS A 52 -8.452 0.968 -9.198 1.00 0.00 N ATOM 770 CA CYS A 52 -9.436 1.913 -8.684 1.00 0.00 C ATOM 771 C CYS A 52 -8.842 3.316 -8.585 1.00 0.00 C ATOM 772 O CYS A 52 -9.482 4.300 -8.953 1.00 0.00 O ATOM 773 CB CYS A 52 -9.939 1.462 -7.312 1.00 0.00 C ATOM 774 SG CYS A 52 -8.710 1.630 -5.978 1.00 0.00 S ATOM 0 H CYS A 52 -7.660 0.804 -8.577 1.00 0.00 H new ATOM 0 HA CYS A 52 -10.275 1.941 -9.379 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.824 2.043 -7.052 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -10.250 0.419 -7.376 1.00 0.00 H new ATOM 779 N GLY A 53 -7.613 3.398 -8.085 1.00 0.00 N ATOM 780 CA GLY A 53 -6.953 4.683 -7.946 1.00 0.00 C ATOM 781 C GLY A 53 -7.457 5.467 -6.751 1.00 0.00 C ATOM 782 O GLY A 53 -7.966 6.578 -6.899 1.00 0.00 O ATOM 0 H GLY A 53 -7.063 2.598 -7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.879 4.527 -7.848 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.109 5.268 -8.852 1.00 0.00 H new ATOM 786 N SER A 54 -7.316 4.888 -5.563 1.00 0.00 N ATOM 787 CA SER A 54 -7.766 5.538 -4.337 1.00 0.00 C ATOM 788 C SER A 54 -6.658 5.547 -3.289 1.00 0.00 C ATOM 789 O SER A 54 -6.400 6.567 -2.649 1.00 0.00 O ATOM 790 CB SER A 54 -9.003 4.829 -3.783 1.00 0.00 C ATOM 791 OG SER A 54 -10.093 4.929 -4.682 1.00 0.00 O ATOM 0 H SER A 54 -6.894 3.970 -5.423 1.00 0.00 H new ATOM 0 HA SER A 54 -8.024 6.570 -4.576 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.773 3.779 -3.600 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.278 5.267 -2.823 1.00 0.00 H new ATOM 0 HG SER A 54 -10.871 4.467 -4.306 1.00 0.00 H new ATOM 797 N HIS A 55 -6.005 4.402 -3.117 1.00 0.00 N ATOM 798 CA HIS A 55 -4.924 4.276 -2.146 1.00 0.00 C ATOM 799 C HIS A 55 -3.632 4.878 -2.691 1.00 0.00 C ATOM 800 O HIS A 55 -3.439 4.966 -3.903 1.00 0.00 O ATOM 801 CB HIS A 55 -4.703 2.807 -1.785 1.00 0.00 C ATOM 802 CG HIS A 55 -5.716 2.267 -0.823 1.00 0.00 C ATOM 803 ND1 HIS A 55 -5.462 1.210 0.025 1.00 0.00 N ATOM 804 CD2 HIS A 55 -6.992 2.646 -0.577 1.00 0.00 C ATOM 805 CE1 HIS A 55 -6.538 0.961 0.750 1.00 0.00 C ATOM 806 NE2 HIS A 55 -7.481 1.819 0.404 1.00 0.00 N ATOM 0 H HIS A 55 -6.206 3.548 -3.638 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.209 4.824 -1.248 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.726 2.210 -2.697 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.708 2.693 -1.354 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.526 3.450 -1.062 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -6.631 0.188 1.498 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -8.420 1.860 0.801 1.00 0.00 H new ATOM 815 N GLY A 56 -2.750 5.292 -1.786 1.00 0.00 N ATOM 816 CA GLY A 56 -1.488 5.881 -2.196 1.00 0.00 C ATOM 817 C GLY A 56 -0.341 5.484 -1.287 1.00 0.00 C ATOM 818 O GLY A 56 -0.395 5.699 -0.076 1.00 0.00 O ATOM 0 H GLY A 56 -2.887 5.230 -0.777 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.262 5.574 -3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.583 6.967 -2.204 1.00 0.00 H new ATOM 822 N THR A 57 0.701 4.901 -1.873 1.00 0.00 N ATOM 823 CA THR A 57 1.864 4.471 -1.108 1.00 0.00 C ATOM 824 C THR A 57 3.135 4.558 -1.946 1.00 0.00 C ATOM 825 O THR A 57 3.077 4.722 -3.165 1.00 0.00 O ATOM 826 CB THR A 57 1.698 3.027 -0.597 1.00 0.00 C ATOM 827 OG1 THR A 57 2.634 2.769 0.455 1.00 0.00 O ATOM 828 CG2 THR A 57 1.906 2.027 -1.724 1.00 0.00 C ATOM 0 H THR A 57 0.762 4.716 -2.874 1.00 0.00 H new ATOM 0 HA THR A 57 1.947 5.143 -0.254 1.00 0.00 H new ATOM 0 HB THR A 57 0.683 2.915 -0.215 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.183 2.849 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.784 1.015 -1.339 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.173 2.207 -2.510 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.911 2.142 -2.131 1.00 0.00 H new ATOM 836 N HIS A 58 4.283 4.447 -1.284 1.00 0.00 N ATOM 837 CA HIS A 58 5.569 4.512 -1.969 1.00 0.00 C ATOM 838 C HIS A 58 5.731 3.341 -2.933 1.00 0.00 C ATOM 839 O HIS A 58 4.807 2.551 -3.127 1.00 0.00 O ATOM 840 CB HIS A 58 6.712 4.513 -0.953 1.00 0.00 C ATOM 841 CG HIS A 58 6.530 5.507 0.153 1.00 0.00 C ATOM 842 ND1 HIS A 58 5.785 5.246 1.283 1.00 0.00 N ATOM 843 CD2 HIS A 58 7.002 6.767 0.298 1.00 0.00 C ATOM 844 CE1 HIS A 58 5.805 6.303 2.075 1.00 0.00 C ATOM 845 NE2 HIS A 58 6.538 7.240 1.500 1.00 0.00 N ATOM 0 H HIS A 58 4.349 4.312 -0.275 1.00 0.00 H new ATOM 0 HA HIS A 58 5.601 5.439 -2.542 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.805 3.516 -0.523 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.647 4.725 -1.471 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.627 7.301 -0.402 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.307 6.387 3.030 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.728 8.165 1.887 1.00 0.00 H new ATOM 853 N ARG A 59 6.911 3.236 -3.536 1.00 0.00 N ATOM 854 CA ARG A 59 7.193 2.163 -4.482 1.00 0.00 C ATOM 855 C ARG A 59 7.777 0.948 -3.767 1.00 0.00 C ATOM 856 O ARG A 59 7.150 -0.110 -3.706 1.00 0.00 O ATOM 857 CB ARG A 59 8.162 2.648 -5.562 1.00 0.00 C ATOM 858 CG ARG A 59 8.253 1.718 -6.761 1.00 0.00 C ATOM 859 CD ARG A 59 9.343 0.674 -6.575 1.00 0.00 C ATOM 860 NE ARG A 59 10.665 1.198 -6.906 1.00 0.00 N ATOM 861 CZ ARG A 59 11.766 0.456 -6.925 1.00 0.00 C ATOM 862 NH1 ARG A 59 11.704 -0.836 -6.633 1.00 0.00 N ATOM 863 NH2 ARG A 59 12.933 1.005 -7.237 1.00 0.00 N ATOM 0 H ARG A 59 7.687 3.881 -3.386 1.00 0.00 H new ATOM 0 HA ARG A 59 6.254 1.870 -4.952 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.849 3.635 -5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.154 2.761 -5.124 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.294 1.222 -6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.455 2.300 -7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.339 0.326 -5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.128 -0.190 -7.203 1.00 0.00 H new ATOM 0 HE ARG A 59 10.747 2.188 -7.135 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.809 -1.262 -6.393 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.551 -1.404 -6.648 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.985 1.998 -7.463 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.778 0.434 -7.251 1.00 0.00 H new ATOM 877 N ASP A 60 8.981 1.107 -3.229 1.00 0.00 N ATOM 878 CA ASP A 60 9.650 0.024 -2.518 1.00 0.00 C ATOM 879 C ASP A 60 8.868 -0.371 -1.270 1.00 0.00 C ATOM 880 O ASP A 60 8.940 -1.513 -0.814 1.00 0.00 O ATOM 881 CB ASP A 60 11.072 0.438 -2.135 1.00 0.00 C ATOM 882 CG ASP A 60 11.905 0.831 -3.339 1.00 0.00 C ATOM 883 OD1 ASP A 60 11.317 1.270 -4.350 1.00 0.00 O ATOM 884 OD2 ASP A 60 13.145 0.700 -3.271 1.00 0.00 O ATOM 0 H ASP A 60 9.514 1.976 -3.272 1.00 0.00 H new ATOM 0 HA ASP A 60 9.698 -0.839 -3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.028 1.275 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.559 -0.386 -1.613 1.00 0.00 H new ATOM 889 N CYS A 61 8.122 0.580 -0.719 1.00 0.00 N ATOM 890 CA CYS A 61 7.327 0.334 0.478 1.00 0.00 C ATOM 891 C CYS A 61 6.264 -0.728 0.215 1.00 0.00 C ATOM 892 O CYS A 61 5.982 -1.565 1.073 1.00 0.00 O ATOM 893 CB CYS A 61 6.665 1.629 0.951 1.00 0.00 C ATOM 894 SG CYS A 61 5.880 1.506 2.591 1.00 0.00 S ATOM 0 H CYS A 61 8.051 1.530 -1.083 1.00 0.00 H new ATOM 0 HA CYS A 61 7.994 -0.031 1.259 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.415 2.420 0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.913 1.928 0.221 1.00 0.00 H new ATOM 899 N SER A 62 5.676 -0.688 -0.976 1.00 0.00 N ATOM 900 CA SER A 62 4.641 -1.644 -1.352 1.00 0.00 C ATOM 901 C SER A 62 5.260 -2.935 -1.878 1.00 0.00 C ATOM 902 O SER A 62 4.634 -3.669 -2.644 1.00 0.00 O ATOM 903 CB SER A 62 3.718 -1.039 -2.410 1.00 0.00 C ATOM 904 OG SER A 62 2.853 -2.021 -2.955 1.00 0.00 O ATOM 0 H SER A 62 5.899 -0.003 -1.698 1.00 0.00 H new ATOM 0 HA SER A 62 4.056 -1.878 -0.462 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.128 -0.237 -1.967 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.315 -0.594 -3.206 1.00 0.00 H new ATOM 0 HG SER A 62 3.223 -2.913 -2.786 1.00 0.00 H new ATOM 910 N SER A 63 6.493 -3.206 -1.462 1.00 0.00 N ATOM 911 CA SER A 63 7.199 -4.407 -1.895 1.00 0.00 C ATOM 912 C SER A 63 6.903 -4.713 -3.360 1.00 0.00 C ATOM 913 O SER A 63 6.555 -5.841 -3.712 1.00 0.00 O ATOM 914 CB SER A 63 6.802 -5.599 -1.022 1.00 0.00 C ATOM 915 OG SER A 63 7.864 -6.532 -0.920 1.00 0.00 O ATOM 0 H SER A 63 7.024 -2.611 -0.826 1.00 0.00 H new ATOM 0 HA SER A 63 8.269 -4.228 -1.789 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.524 -5.249 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.924 -6.087 -1.445 1.00 0.00 H new ATOM 0 HG SER A 63 7.586 -7.284 -0.356 1.00 0.00 H new ATOM 921 N LEU A 64 7.043 -3.702 -4.209 1.00 0.00 N ATOM 922 CA LEU A 64 6.790 -3.861 -5.637 1.00 0.00 C ATOM 923 C LEU A 64 8.073 -4.223 -6.379 1.00 0.00 C ATOM 924 O LEU A 64 9.150 -4.279 -5.786 1.00 0.00 O ATOM 925 CB LEU A 64 6.197 -2.576 -6.217 1.00 0.00 C ATOM 926 CG LEU A 64 4.903 -2.082 -5.569 1.00 0.00 C ATOM 927 CD1 LEU A 64 4.546 -0.695 -6.079 1.00 0.00 C ATOM 928 CD2 LEU A 64 3.767 -3.059 -5.834 1.00 0.00 C ATOM 0 H LEU A 64 7.330 -2.763 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 64 6.075 -4.673 -5.766 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.944 -1.786 -6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.011 -2.733 -7.280 1.00 0.00 H new ATOM 0 HG LEU A 64 5.059 -2.021 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.622 -0.360 -5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.350 -0.000 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.409 -0.729 -7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.854 -2.691 -5.365 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.611 -3.153 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.021 -4.034 -5.418 1.00 0.00 H new ATOM 940 N ARG A 65 7.950 -4.464 -7.680 1.00 0.00 N ATOM 941 CA ARG A 65 9.099 -4.819 -8.504 1.00 0.00 C ATOM 942 C ARG A 65 9.880 -3.573 -8.912 1.00 0.00 C ATOM 943 O ARG A 65 9.379 -2.450 -8.858 1.00 0.00 O ATOM 944 CB ARG A 65 8.645 -5.580 -9.751 1.00 0.00 C ATOM 945 CG ARG A 65 8.593 -7.087 -9.559 1.00 0.00 C ATOM 946 CD ARG A 65 7.754 -7.466 -8.349 1.00 0.00 C ATOM 947 NE ARG A 65 7.195 -8.810 -8.470 1.00 0.00 N ATOM 948 CZ ARG A 65 6.761 -9.521 -7.435 1.00 0.00 C ATOM 949 NH1 ARG A 65 6.822 -9.020 -6.209 1.00 0.00 N ATOM 950 NH2 ARG A 65 6.265 -10.737 -7.626 1.00 0.00 N ATOM 0 H ARG A 65 7.066 -4.420 -8.186 1.00 0.00 H new ATOM 0 HA ARG A 65 9.753 -5.461 -7.914 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.657 -5.225 -10.043 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.322 -5.350 -10.573 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.178 -7.554 -10.452 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.605 -7.474 -9.437 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.368 -7.408 -7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.944 -6.746 -8.229 1.00 0.00 H new ATOM 0 HE ARG A 65 7.135 -9.225 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.203 -8.086 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.488 -9.569 -5.417 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.217 -11.126 -8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.932 -11.283 -6.831 1.00 0.00 H new ATOM 964 N PRO A 66 11.139 -3.775 -9.330 1.00 0.00 N ATOM 965 CA PRO A 66 12.016 -2.680 -9.756 1.00 0.00 C ATOM 966 C PRO A 66 11.572 -2.061 -11.077 1.00 0.00 C ATOM 967 O PRO A 66 11.673 -2.687 -12.131 1.00 0.00 O ATOM 968 CB PRO A 66 13.379 -3.359 -9.915 1.00 0.00 C ATOM 969 CG PRO A 66 13.060 -4.788 -10.188 1.00 0.00 C ATOM 970 CD PRO A 66 11.802 -5.086 -9.421 1.00 0.00 C ATOM 0 HA PRO A 66 12.015 -1.856 -9.042 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.948 -2.917 -10.733 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.982 -3.253 -9.013 1.00 0.00 H new ATOM 0 HG2 PRO A 66 12.916 -4.959 -11.255 1.00 0.00 H new ATOM 0 HG3 PRO A 66 13.875 -5.438 -9.868 1.00 0.00 H new ATOM 0 HD2 PRO A 66 11.179 -5.816 -9.938 1.00 0.00 H new ATOM 0 HD3 PRO A 66 12.020 -5.495 -8.435 1.00 0.00 H new ATOM 978 N ASN A 67 11.081 -0.828 -11.012 1.00 0.00 N ATOM 979 CA ASN A 67 10.622 -0.124 -12.204 1.00 0.00 C ATOM 980 C ASN A 67 9.291 -0.690 -12.690 1.00 0.00 C ATOM 981 O ASN A 67 9.097 -0.907 -13.886 1.00 0.00 O ATOM 982 CB ASN A 67 11.668 -0.224 -13.316 1.00 0.00 C ATOM 983 CG ASN A 67 11.456 0.810 -14.404 1.00 0.00 C ATOM 984 OD1 ASN A 67 10.321 1.126 -14.763 1.00 0.00 O ATOM 985 ND2 ASN A 67 12.550 1.343 -14.935 1.00 0.00 N ATOM 0 H ASN A 67 10.991 -0.296 -10.147 1.00 0.00 H new ATOM 0 HA ASN A 67 10.478 0.925 -11.944 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.662 -0.098 -12.888 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.634 -1.221 -13.755 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.470 2.044 -15.671 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.471 1.051 -14.607 1.00 0.00 H new ATOM 992 N SER A 68 8.377 -0.927 -11.754 1.00 0.00 N ATOM 993 CA SER A 68 7.065 -1.470 -12.086 1.00 0.00 C ATOM 994 C SER A 68 6.325 -0.550 -13.052 1.00 0.00 C ATOM 995 O SER A 68 6.872 0.449 -13.519 1.00 0.00 O ATOM 996 CB SER A 68 6.236 -1.669 -10.816 1.00 0.00 C ATOM 997 OG SER A 68 5.343 -2.761 -10.957 1.00 0.00 O ATOM 0 H SER A 68 8.521 -0.751 -10.760 1.00 0.00 H new ATOM 0 HA SER A 68 7.210 -2.435 -12.571 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.899 -1.844 -9.969 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.674 -0.761 -10.599 1.00 0.00 H new ATOM 0 HG SER A 68 4.826 -2.869 -10.132 1.00 0.00 H new ATOM 1003 N LYS A 69 5.076 -0.895 -13.348 1.00 0.00 N ATOM 1004 CA LYS A 69 4.257 -0.101 -14.256 1.00 0.00 C ATOM 1005 C LYS A 69 2.974 0.358 -13.572 1.00 0.00 C ATOM 1006 O LYS A 69 2.569 1.513 -13.699 1.00 0.00 O ATOM 1007 CB LYS A 69 3.918 -0.911 -15.510 1.00 0.00 C ATOM 1008 CG LYS A 69 3.703 -2.390 -15.238 1.00 0.00 C ATOM 1009 CD LYS A 69 5.022 -3.139 -15.150 1.00 0.00 C ATOM 1010 CE LYS A 69 5.444 -3.686 -16.505 1.00 0.00 C ATOM 1011 NZ LYS A 69 4.388 -4.544 -17.109 1.00 0.00 N ATOM 0 H LYS A 69 4.609 -1.720 -12.972 1.00 0.00 H new ATOM 0 HA LYS A 69 4.829 0.781 -14.544 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.018 -0.499 -15.966 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.724 -0.797 -16.235 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.151 -2.513 -14.306 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.091 -2.821 -16.030 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.795 -2.472 -14.769 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.929 -3.959 -14.438 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.668 -2.858 -17.177 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.362 -4.263 -16.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.827 -5.238 -17.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.874 -5.044 -16.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.724 -3.951 -17.647 1.00 0.00 H new ATOM 1025 N LYS A 70 2.338 -0.555 -12.845 1.00 0.00 N ATOM 1026 CA LYS A 70 1.101 -0.244 -12.137 1.00 0.00 C ATOM 1027 C LYS A 70 1.040 -0.976 -10.800 1.00 0.00 C ATOM 1028 O LYS A 70 1.569 -2.079 -10.662 1.00 0.00 O ATOM 1029 CB LYS A 70 -0.109 -0.623 -12.994 1.00 0.00 C ATOM 1030 CG LYS A 70 -0.364 -2.119 -13.060 1.00 0.00 C ATOM 1031 CD LYS A 70 -1.326 -2.472 -14.181 1.00 0.00 C ATOM 1032 CE LYS A 70 -2.148 -3.706 -13.842 1.00 0.00 C ATOM 1033 NZ LYS A 70 -1.350 -4.956 -13.972 1.00 0.00 N ATOM 0 H LYS A 70 2.659 -1.516 -12.731 1.00 0.00 H new ATOM 0 HA LYS A 70 1.081 0.829 -11.944 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.995 -0.129 -12.595 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.039 -0.243 -14.005 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.580 -2.643 -13.211 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.771 -2.462 -12.109 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.992 -1.630 -14.369 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.767 -2.647 -15.100 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.527 -3.621 -12.824 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.014 -3.758 -14.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.945 -5.774 -13.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.009 -5.050 -14.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.537 -4.918 -13.324 1.00 0.00 H new ATOM 1047 N TRP A 71 0.393 -0.356 -9.821 1.00 0.00 N ATOM 1048 CA TRP A 71 0.262 -0.950 -8.495 1.00 0.00 C ATOM 1049 C TRP A 71 -1.202 -1.039 -8.080 1.00 0.00 C ATOM 1050 O TRP A 71 -1.993 -0.141 -8.368 1.00 0.00 O ATOM 1051 CB TRP A 71 1.047 -0.133 -7.468 1.00 0.00 C ATOM 1052 CG TRP A 71 0.549 -0.306 -6.065 1.00 0.00 C ATOM 1053 CD1 TRP A 71 0.710 -1.402 -5.267 1.00 0.00 C ATOM 1054 CD2 TRP A 71 -0.193 0.647 -5.296 1.00 0.00 C ATOM 1055 NE1 TRP A 71 0.113 -1.189 -4.048 1.00 0.00 N ATOM 1056 CE2 TRP A 71 -0.447 0.061 -4.040 1.00 0.00 C ATOM 1057 CE3 TRP A 71 -0.666 1.938 -5.544 1.00 0.00 C ATOM 1058 CZ2 TRP A 71 -1.154 0.722 -3.040 1.00 0.00 C ATOM 1059 CZ3 TRP A 71 -1.367 2.593 -4.550 1.00 0.00 C ATOM 1060 CH2 TRP A 71 -1.605 1.986 -3.310 1.00 0.00 C ATOM 0 H TRP A 71 -0.049 0.558 -9.919 1.00 0.00 H new ATOM 0 HA TRP A 71 0.671 -1.960 -8.535 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.097 -0.421 -7.511 1.00 0.00 H new ATOM 0 HB3 TRP A 71 0.995 0.922 -7.737 1.00 0.00 H new ATOM 0 HD1 TRP A 71 1.230 -2.304 -5.552 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.090 -1.854 -3.275 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.487 2.415 -6.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.340 0.254 -2.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.738 3.591 -4.732 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -2.155 2.525 -2.553 1.00 0.00 H new ATOM 1071 N GLU A 72 -1.556 -2.126 -7.403 1.00 0.00 N ATOM 1072 CA GLU A 72 -2.927 -2.331 -6.950 1.00 0.00 C ATOM 1073 C GLU A 72 -3.010 -2.281 -5.427 1.00 0.00 C ATOM 1074 O GLU A 72 -2.130 -2.787 -4.729 1.00 0.00 O ATOM 1075 CB GLU A 72 -3.461 -3.672 -7.457 1.00 0.00 C ATOM 1076 CG GLU A 72 -3.827 -3.663 -8.932 1.00 0.00 C ATOM 1077 CD GLU A 72 -4.053 -5.056 -9.485 1.00 0.00 C ATOM 1078 OE1 GLU A 72 -4.507 -5.933 -8.720 1.00 0.00 O ATOM 1079 OE2 GLU A 72 -3.775 -5.270 -10.684 1.00 0.00 O ATOM 0 H GLU A 72 -0.913 -2.878 -7.156 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.540 -1.527 -7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.710 -4.442 -7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.340 -3.947 -6.875 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.729 -3.069 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.032 -3.176 -9.497 1.00 0.00 H new ATOM 1086 N CYS A 73 -4.073 -1.668 -4.917 1.00 0.00 N ATOM 1087 CA CYS A 73 -4.272 -1.550 -3.478 1.00 0.00 C ATOM 1088 C CYS A 73 -4.830 -2.846 -2.898 1.00 0.00 C ATOM 1089 O CYS A 73 -5.275 -3.726 -3.634 1.00 0.00 O ATOM 1090 CB CYS A 73 -5.219 -0.389 -3.166 1.00 0.00 C ATOM 1091 SG CYS A 73 -6.959 -0.713 -3.597 1.00 0.00 S ATOM 0 H CYS A 73 -4.811 -1.245 -5.480 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.304 -1.354 -3.018 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.156 -0.158 -2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.881 0.496 -3.705 1.00 0.00 H new ATOM 1096 N ASN A 74 -4.804 -2.955 -1.574 1.00 0.00 N ATOM 1097 CA ASN A 74 -5.307 -4.144 -0.895 1.00 0.00 C ATOM 1098 C ASN A 74 -6.730 -4.465 -1.343 1.00 0.00 C ATOM 1099 O ASN A 74 -7.021 -5.585 -1.761 1.00 0.00 O ATOM 1100 CB ASN A 74 -5.271 -3.944 0.622 1.00 0.00 C ATOM 1101 CG ASN A 74 -6.078 -4.992 1.363 1.00 0.00 C ATOM 1102 OD1 ASN A 74 -6.035 -6.176 1.028 1.00 0.00 O ATOM 1103 ND2 ASN A 74 -6.821 -4.561 2.375 1.00 0.00 N ATOM 0 H ASN A 74 -4.440 -2.235 -0.950 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.663 -4.983 -1.160 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.237 -3.976 0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.657 -2.954 0.864 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.386 -5.220 2.910 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.826 -3.570 2.618 1.00 0.00 H new ATOM 1110 N GLU A 75 -7.611 -3.473 -1.252 1.00 0.00 N ATOM 1111 CA GLU A 75 -9.003 -3.651 -1.648 1.00 0.00 C ATOM 1112 C GLU A 75 -9.101 -4.410 -2.968 1.00 0.00 C ATOM 1113 O GLU A 75 -9.952 -5.284 -3.134 1.00 0.00 O ATOM 1114 CB GLU A 75 -9.698 -2.294 -1.775 1.00 0.00 C ATOM 1115 CG GLU A 75 -9.817 -1.545 -0.458 1.00 0.00 C ATOM 1116 CD GLU A 75 -10.976 -2.034 0.388 1.00 0.00 C ATOM 1117 OE1 GLU A 75 -11.134 -3.266 0.522 1.00 0.00 O ATOM 1118 OE2 GLU A 75 -11.726 -1.186 0.915 1.00 0.00 O ATOM 0 H GLU A 75 -7.386 -2.540 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.501 -4.236 -0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.146 -1.678 -2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.695 -2.443 -2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.890 -1.656 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.942 -0.481 -0.659 1.00 0.00 H new ATOM 1125 N CYS A 76 -8.223 -4.069 -3.906 1.00 0.00 N ATOM 1126 CA CYS A 76 -8.209 -4.716 -5.212 1.00 0.00 C ATOM 1127 C CYS A 76 -7.507 -6.069 -5.142 1.00 0.00 C ATOM 1128 O CYS A 76 -8.100 -7.106 -5.443 1.00 0.00 O ATOM 1129 CB CYS A 76 -7.514 -3.821 -6.241 1.00 0.00 C ATOM 1130 SG CYS A 76 -8.437 -2.305 -6.651 1.00 0.00 S ATOM 0 H CYS A 76 -7.512 -3.348 -3.785 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.242 -4.878 -5.520 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.531 -3.543 -5.860 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.352 -4.393 -7.154 1.00 0.00 H new ATOM 1135 N LEU A 77 -6.240 -6.051 -4.743 1.00 0.00 N ATOM 1136 CA LEU A 77 -5.455 -7.276 -4.633 1.00 0.00 C ATOM 1137 C LEU A 77 -6.326 -8.441 -4.173 1.00 0.00 C ATOM 1138 O LEU A 77 -7.331 -8.263 -3.485 1.00 0.00 O ATOM 1139 CB LEU A 77 -4.295 -7.076 -3.656 1.00 0.00 C ATOM 1140 CG LEU A 77 -3.184 -6.132 -4.118 1.00 0.00 C ATOM 1141 CD1 LEU A 77 -2.319 -5.709 -2.941 1.00 0.00 C ATOM 1142 CD2 LEU A 77 -2.337 -6.792 -5.195 1.00 0.00 C ATOM 0 H LEU A 77 -5.734 -5.202 -4.490 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.055 -7.512 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.698 -6.698 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.853 -8.049 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.645 -5.240 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.534 -5.038 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.935 -5.195 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.867 -6.591 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.552 -6.106 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.886 -7.701 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.966 -7.043 -6.049 1.00 0.00 H new ATOM 1154 N PRO A 78 -5.932 -9.663 -4.561 1.00 0.00 N ATOM 1155 CA PRO A 78 -6.661 -10.882 -4.198 1.00 0.00 C ATOM 1156 C PRO A 78 -6.543 -11.208 -2.713 1.00 0.00 C ATOM 1157 O PRO A 78 -5.666 -11.967 -2.302 1.00 0.00 O ATOM 1158 CB PRO A 78 -5.982 -11.966 -5.038 1.00 0.00 C ATOM 1159 CG PRO A 78 -4.609 -11.445 -5.290 1.00 0.00 C ATOM 1160 CD PRO A 78 -4.744 -9.950 -5.382 1.00 0.00 C ATOM 0 HA PRO A 78 -7.731 -10.787 -4.384 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.953 -12.918 -4.508 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.518 -12.137 -5.972 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -3.931 -11.727 -4.485 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.198 -11.857 -6.212 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.859 -9.442 -4.999 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.879 -9.621 -6.413 1.00 0.00 H new ATOM 1168 N ALA A 79 -7.432 -10.629 -1.912 1.00 0.00 N ATOM 1169 CA ALA A 79 -7.429 -10.859 -0.473 1.00 0.00 C ATOM 1170 C ALA A 79 -8.007 -12.230 -0.135 1.00 0.00 C ATOM 1171 O ALA A 79 -9.094 -12.585 -0.592 1.00 0.00 O ATOM 1172 CB ALA A 79 -8.210 -9.765 0.239 1.00 0.00 C ATOM 0 H ALA A 79 -8.164 -9.997 -2.236 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.395 -10.834 -0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.199 -9.950 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.752 -8.798 0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.240 -9.762 -0.118 1.00 0.00 H new ATOM 1178 N SER A 80 -7.274 -12.995 0.666 1.00 0.00 N ATOM 1179 CA SER A 80 -7.712 -14.329 1.061 1.00 0.00 C ATOM 1180 C SER A 80 -6.862 -14.862 2.210 1.00 0.00 C ATOM 1181 O SER A 80 -5.664 -14.591 2.289 1.00 0.00 O ATOM 1182 CB SER A 80 -7.639 -15.286 -0.130 1.00 0.00 C ATOM 1183 OG SER A 80 -8.010 -16.600 0.249 1.00 0.00 O ATOM 0 H SER A 80 -6.374 -12.714 1.055 1.00 0.00 H new ATOM 0 HA SER A 80 -8.746 -14.260 1.399 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.297 -14.934 -0.925 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.627 -15.293 -0.534 1.00 0.00 H new ATOM 0 HG SER A 80 -7.957 -17.192 -0.530 1.00 0.00 H new ATOM 1189 N GLY A 81 -7.491 -15.623 3.101 1.00 0.00 N ATOM 1190 CA GLY A 81 -6.778 -16.183 4.234 1.00 0.00 C ATOM 1191 C GLY A 81 -7.302 -15.668 5.560 1.00 0.00 C ATOM 1192 O GLY A 81 -8.509 -15.612 5.795 1.00 0.00 O ATOM 0 H GLY A 81 -8.482 -15.861 3.058 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.861 -17.270 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.718 -15.943 4.147 1.00 0.00 H new ATOM 1196 N PRO A 82 -6.381 -15.283 6.456 1.00 0.00 N ATOM 1197 CA PRO A 82 -6.733 -14.765 7.781 1.00 0.00 C ATOM 1198 C PRO A 82 -7.384 -13.388 7.711 1.00 0.00 C ATOM 1199 O PRO A 82 -6.906 -12.500 7.004 1.00 0.00 O ATOM 1200 CB PRO A 82 -5.385 -14.684 8.500 1.00 0.00 C ATOM 1201 CG PRO A 82 -4.381 -14.543 7.408 1.00 0.00 C ATOM 1202 CD PRO A 82 -4.924 -15.323 6.243 1.00 0.00 C ATOM 0 HA PRO A 82 -7.463 -15.398 8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.350 -13.834 9.182 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.199 -15.578 9.095 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.237 -13.496 7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.410 -14.930 7.718 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.644 -14.871 5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.547 -16.346 6.233 1.00 0.00 H new ATOM 1210 N SER A 83 -8.476 -13.216 8.449 1.00 0.00 N ATOM 1211 CA SER A 83 -9.194 -11.947 8.468 1.00 0.00 C ATOM 1212 C SER A 83 -9.660 -11.607 9.880 1.00 0.00 C ATOM 1213 O SER A 83 -10.269 -12.433 10.560 1.00 0.00 O ATOM 1214 CB SER A 83 -10.395 -12.002 7.522 1.00 0.00 C ATOM 1215 OG SER A 83 -11.421 -12.825 8.048 1.00 0.00 O ATOM 0 H SER A 83 -8.883 -13.940 9.042 1.00 0.00 H new ATOM 0 HA SER A 83 -8.511 -11.167 8.132 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.780 -10.995 7.359 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.080 -12.384 6.551 1.00 0.00 H new ATOM 0 HG SER A 83 -11.325 -12.886 9.021 1.00 0.00 H new ATOM 1221 N SER A 84 -9.368 -10.385 10.315 1.00 0.00 N ATOM 1222 CA SER A 84 -9.752 -9.936 11.648 1.00 0.00 C ATOM 1223 C SER A 84 -10.350 -8.533 11.596 1.00 0.00 C ATOM 1224 O SER A 84 -9.794 -7.632 10.970 1.00 0.00 O ATOM 1225 CB SER A 84 -8.542 -9.953 12.584 1.00 0.00 C ATOM 1226 OG SER A 84 -8.262 -11.269 13.030 1.00 0.00 O ATOM 0 H SER A 84 -8.867 -9.689 9.764 1.00 0.00 H new ATOM 0 HA SER A 84 -10.508 -10.621 12.032 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.672 -9.548 12.067 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.732 -9.308 13.441 1.00 0.00 H new ATOM 0 HG SER A 84 -7.484 -11.254 13.625 1.00 0.00 H new ATOM 1232 N GLY A 85 -11.488 -8.357 12.261 1.00 0.00 N ATOM 1233 CA GLY A 85 -12.144 -7.062 12.279 1.00 0.00 C ATOM 1234 C GLY A 85 -13.311 -7.017 13.245 1.00 0.00 C ATOM 1235 O GLY A 85 -13.868 -8.067 13.560 1.00 0.00 O ATOM 0 H GLY A 85 -11.967 -9.088 12.787 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.420 -6.295 12.553 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.497 -6.823 11.276 1.00 0.00 H new TER 1239 GLY A 85 HETATM 1240 ZN ZN A 201 5.618 3.812 3.104 1.00 0.00 ZN HETATM 1241 ZN ZN A 401 -7.418 -0.336 -5.858 1.00 0.00 ZN