USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 556 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: B 27 HIS HE2 : B 27 HIS NE2 : B 37 ZNZN :(H bumps) USER MOD Set 1.1: A 235 ASN : amide:sc= 1.14 K(o=2.8,f=-0.28) USER MOD Set 1.2: A 237 GLN : amide:sc= 1.7 K(o=2.8,f=-4.6!) USER MOD Set 2.1: A 220 THR OG1 : rot -136:sc= 0.931 USER MOD Set 2.2: A 222 HIS : no HD1:sc= -0.405 K(o=1.8,f=-3.7!) USER MOD Set 2.3: A 232 HIS : no HE2:sc= 1.1 K(o=1.8,f=-8.8!) USER MOD Set 2.4: A 238 ASN : amide:sc= 0.152 K(o=1.8,f=0.53) USER MOD Single : A 206 ASN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 210 THR OG1 : rot -35:sc= 1.71 USER MOD Single : A 212 THR OG1 : rot -126:sc= 0.101 USER MOD Single : A 223 TYR OH : rot 180:sc= 0.909 USER MOD Single : A 226 ASN : amide:sc= 0.653 K(o=0.65,f=0) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -119:sc= 0.0976 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 107:sc= 0.829 USER MOD Single : B 22 SER OG : rot 180:sc= 0.0511 USER MOD Single : B 23 THR OG1 : rot -159:sc= -1.09 USER MOD Single : B 28 GLN : amide:sc= 1.04 K(o=1,f=-0.88) USER MOD Single : B 30 TYR OH : rot 155:sc= 1.68 USER MOD Single : B 31 TYR OH : rot 177:sc= 1.16 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= -0.0736 X(o=-0.074,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -2.740 -16.353 1.121 1.00 1.00 N ATOM 2 CA GLU A 200 -2.437 -14.910 0.968 1.00 1.00 C ATOM 3 C GLU A 200 -2.684 -14.476 -0.471 1.00 1.00 C ATOM 4 O GLU A 200 -2.594 -15.287 -1.392 1.00 1.00 O ATOM 5 CB GLU A 200 -0.980 -14.619 1.347 1.00 1.00 C ATOM 6 CG GLU A 200 -0.479 -15.409 2.548 1.00 1.00 C ATOM 7 CD GLU A 200 -1.438 -15.374 3.723 1.00 1.00 C ATOM 8 OE1 GLU A 200 -2.374 -16.204 3.749 1.00 1.00 O ATOM 9 OE2 GLU A 200 -1.266 -14.522 4.614 1.00 1.00 O ATOM 0 HA GLU A 200 -3.092 -14.350 1.635 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -0.343 -14.838 0.490 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -0.876 -13.555 1.557 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -0.314 -16.445 2.251 1.00 1.00 H new ATOM 0 HG3 GLU A 200 0.486 -15.010 2.862 1.00 1.00 H new ATOM 16 N ALA A 201 -3.006 -13.206 -0.662 1.00 1.00 N ATOM 17 CA ALA A 201 -3.257 -12.681 -1.998 1.00 1.00 C ATOM 18 C ALA A 201 -2.429 -11.426 -2.267 1.00 1.00 C ATOM 19 O ALA A 201 -1.918 -11.237 -3.369 1.00 1.00 O ATOM 20 CB ALA A 201 -4.741 -12.391 -2.173 1.00 1.00 C ATOM 0 H ALA A 201 -3.100 -12.521 0.088 1.00 1.00 H new ATOM 0 HA ALA A 201 -2.955 -13.437 -2.723 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -4.920 -11.999 -3.174 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -5.310 -13.311 -2.037 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -5.058 -11.655 -1.434 1.00 1.00 H new ATOM 26 N ARG A 202 -2.297 -10.574 -1.259 1.00 1.00 N ATOM 27 CA ARG A 202 -1.536 -9.340 -1.395 1.00 1.00 C ATOM 28 C ARG A 202 -1.184 -8.794 -0.014 1.00 1.00 C ATOM 29 O ARG A 202 -1.624 -9.336 1.000 1.00 1.00 O ATOM 30 CB ARG A 202 -2.359 -8.311 -2.180 1.00 1.00 C ATOM 31 CG ARG A 202 -1.528 -7.264 -2.909 1.00 1.00 C ATOM 32 CD ARG A 202 -0.858 -7.836 -4.150 1.00 1.00 C ATOM 33 NE ARG A 202 0.408 -8.485 -3.835 1.00 1.00 N ATOM 34 CZ ARG A 202 0.957 -9.448 -4.564 1.00 1.00 C ATOM 35 NH1 ARG A 202 0.383 -9.860 -5.688 1.00 1.00 N ATOM 36 NH2 ARG A 202 2.098 -9.992 -4.172 1.00 1.00 N ATOM 0 H ARG A 202 -2.708 -10.716 -0.336 1.00 1.00 H new ATOM 0 HA ARG A 202 -0.612 -9.542 -1.937 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.977 -8.837 -2.907 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -3.037 -7.805 -1.492 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -2.166 -6.428 -3.194 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -0.768 -6.870 -2.235 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -1.526 -8.555 -4.624 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -0.686 -7.037 -4.871 1.00 1.00 H new ATOM 0 HE ARG A 202 0.905 -8.179 -2.999 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -0.490 -9.435 -6.000 1.00 1.00 H new ATOM 0 HH12 ARG A 202 0.815 -10.601 -6.239 1.00 1.00 H new ATOM 0 HH21 ARG A 202 2.549 -9.670 -3.315 1.00 1.00 H new ATOM 0 HH22 ARG A 202 2.527 -10.733 -4.727 1.00 1.00 H new ATOM 50 N GLU A 203 -0.383 -7.741 0.023 1.00 1.00 N ATOM 51 CA GLU A 203 0.013 -7.120 1.278 1.00 1.00 C ATOM 52 C GLU A 203 -0.566 -5.713 1.369 1.00 1.00 C ATOM 53 O GLU A 203 -0.366 -4.898 0.469 1.00 1.00 O ATOM 54 CB GLU A 203 1.543 -7.057 1.403 1.00 1.00 C ATOM 55 CG GLU A 203 2.290 -8.042 0.511 1.00 1.00 C ATOM 56 CD GLU A 203 2.615 -7.468 -0.859 1.00 1.00 C ATOM 57 OE1 GLU A 203 3.647 -6.784 -0.993 1.00 1.00 O ATOM 58 OE2 GLU A 203 1.841 -7.706 -1.810 1.00 1.00 O ATOM 0 H GLU A 203 0.008 -7.296 -0.807 1.00 1.00 H new ATOM 0 HA GLU A 203 -0.376 -7.728 2.095 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.873 -6.046 1.163 1.00 1.00 H new ATOM 0 HB3 GLU A 203 1.818 -7.245 2.441 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.215 -8.341 1.003 1.00 1.00 H new ATOM 0 HG3 GLU A 203 1.688 -8.943 0.389 1.00 1.00 H new ATOM 65 N CYS A 204 -1.293 -5.438 2.445 1.00 1.00 N ATOM 66 CA CYS A 204 -1.890 -4.128 2.639 1.00 1.00 C ATOM 67 C CYS A 204 -0.853 -3.142 3.178 1.00 1.00 C ATOM 68 O CYS A 204 0.137 -3.531 3.803 1.00 1.00 O ATOM 69 CB CYS A 204 -3.096 -4.212 3.584 1.00 1.00 C ATOM 70 SG CYS A 204 -3.747 -2.596 4.118 1.00 1.00 S ATOM 0 H CYS A 204 -1.482 -6.105 3.194 1.00 1.00 H new ATOM 0 HA CYS A 204 -2.241 -3.767 1.672 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -3.893 -4.765 3.088 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -2.812 -4.785 4.466 1.00 1.00 H new ATOM 75 N VAL A 205 -1.108 -1.867 2.939 1.00 1.00 N ATOM 76 CA VAL A 205 -0.219 -0.796 3.362 1.00 1.00 C ATOM 77 C VAL A 205 -0.737 -0.100 4.611 1.00 1.00 C ATOM 78 O VAL A 205 -0.085 0.795 5.152 1.00 1.00 O ATOM 79 CB VAL A 205 -0.091 0.254 2.252 1.00 1.00 C ATOM 80 CG1 VAL A 205 0.532 -0.361 1.017 1.00 1.00 C ATOM 81 CG2 VAL A 205 -1.456 0.847 1.930 1.00 1.00 C ATOM 0 H VAL A 205 -1.940 -1.543 2.445 1.00 1.00 H new ATOM 0 HA VAL A 205 0.749 -1.249 3.578 1.00 1.00 H new ATOM 0 HB VAL A 205 0.559 1.057 2.599 1.00 1.00 H new ATOM 0 HG11 VAL A 205 0.617 0.396 0.237 1.00 1.00 H new ATOM 0 HG12 VAL A 205 1.523 -0.743 1.261 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -0.095 -1.179 0.662 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -1.352 1.591 1.140 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -2.127 0.055 1.597 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -1.867 1.319 2.822 1.00 1.00 H new ATOM 91 N ASN A 206 -1.913 -0.504 5.054 1.00 1.00 N ATOM 92 CA ASN A 206 -2.531 0.094 6.224 1.00 1.00 C ATOM 93 C ASN A 206 -2.592 -0.903 7.370 1.00 1.00 C ATOM 94 O ASN A 206 -2.301 -0.559 8.516 1.00 1.00 O ATOM 95 CB ASN A 206 -3.932 0.599 5.878 1.00 1.00 C ATOM 96 CG ASN A 206 -3.971 2.089 5.597 1.00 1.00 C ATOM 97 OD1 ASN A 206 -3.529 2.489 4.409 1.00 1.00 O flip ATOM 98 ND2 ASN A 206 -4.384 2.881 6.444 1.00 1.00 N flip ATOM 0 H ASN A 206 -2.461 -1.246 4.620 1.00 1.00 H new ATOM 0 HA ASN A 206 -1.922 0.940 6.543 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -4.301 0.060 5.005 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -4.608 0.372 6.702 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -4.716 2.537 7.345 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -4.395 3.881 6.245 1.00 1.00 H new ATOM 105 N CYS A 207 -2.962 -2.140 7.060 1.00 1.00 N ATOM 106 CA CYS A 207 -3.045 -3.179 8.075 1.00 1.00 C ATOM 107 C CYS A 207 -2.133 -4.350 7.735 1.00 1.00 C ATOM 108 O CYS A 207 -1.435 -4.885 8.600 1.00 1.00 O ATOM 109 CB CYS A 207 -4.491 -3.666 8.239 1.00 1.00 C ATOM 110 SG CYS A 207 -5.622 -3.223 6.874 1.00 1.00 S ATOM 0 H CYS A 207 -3.208 -2.445 6.118 1.00 1.00 H new ATOM 0 HA CYS A 207 -2.713 -2.747 9.019 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -4.482 -4.751 8.344 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -4.891 -3.259 9.168 1.00 1.00 H new ATOM 115 N GLY A 208 -2.131 -4.734 6.473 1.00 1.00 N ATOM 116 CA GLY A 208 -1.315 -5.846 6.037 1.00 1.00 C ATOM 117 C GLY A 208 -2.103 -7.132 6.021 1.00 1.00 C ATOM 118 O GLY A 208 -1.549 -8.215 5.824 1.00 1.00 O ATOM 0 H GLY A 208 -2.683 -4.294 5.737 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -0.925 -5.644 5.040 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -0.456 -5.952 6.700 1.00 1.00 H new ATOM 122 N ALA A 209 -3.406 -7.009 6.234 1.00 1.00 N ATOM 123 CA ALA A 209 -4.290 -8.160 6.249 1.00 1.00 C ATOM 124 C ALA A 209 -4.632 -8.600 4.829 1.00 1.00 C ATOM 125 O ALA A 209 -4.752 -7.775 3.928 1.00 1.00 O ATOM 126 CB ALA A 209 -5.556 -7.843 7.026 1.00 1.00 C ATOM 0 H ALA A 209 -3.873 -6.118 6.399 1.00 1.00 H new ATOM 0 HA ALA A 209 -3.773 -8.982 6.744 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -6.209 -8.715 7.029 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -5.297 -7.580 8.052 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -6.071 -7.005 6.556 1.00 1.00 H new ATOM 132 N THR A 210 -4.794 -9.900 4.639 1.00 1.00 N ATOM 133 CA THR A 210 -5.114 -10.449 3.331 1.00 1.00 C ATOM 134 C THR A 210 -6.313 -11.389 3.425 1.00 1.00 C ATOM 135 O THR A 210 -6.616 -12.131 2.490 1.00 1.00 O ATOM 136 CB THR A 210 -3.893 -11.196 2.736 1.00 1.00 C ATOM 137 OG1 THR A 210 -4.201 -11.726 1.438 1.00 1.00 O ATOM 138 CG2 THR A 210 -3.444 -12.325 3.650 1.00 1.00 C ATOM 0 H THR A 210 -4.709 -10.598 5.378 1.00 1.00 H new ATOM 0 HA THR A 210 -5.369 -9.622 2.668 1.00 1.00 H new ATOM 0 HB THR A 210 -3.082 -10.474 2.643 1.00 1.00 H new ATOM 0 HG1 THR A 210 -5.138 -12.011 1.415 1.00 1.00 H new ATOM 0 HG21 THR A 210 -2.586 -12.832 3.208 1.00 1.00 H new ATOM 0 HG22 THR A 210 -3.164 -11.917 4.621 1.00 1.00 H new ATOM 0 HG23 THR A 210 -4.260 -13.037 3.777 1.00 1.00 H new ATOM 146 N ALA A 211 -7.010 -11.326 4.552 1.00 1.00 N ATOM 147 CA ALA A 211 -8.170 -12.177 4.788 1.00 1.00 C ATOM 148 C ALA A 211 -9.431 -11.604 4.148 1.00 1.00 C ATOM 149 O ALA A 211 -10.512 -12.171 4.283 1.00 1.00 O ATOM 150 CB ALA A 211 -8.381 -12.378 6.282 1.00 1.00 C ATOM 0 H ALA A 211 -6.791 -10.692 5.320 1.00 1.00 H new ATOM 0 HA ALA A 211 -7.972 -13.142 4.321 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -9.250 -13.015 6.444 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -7.499 -12.851 6.714 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -8.545 -11.412 6.759 1.00 1.00 H new ATOM 156 N THR A 212 -9.291 -10.480 3.456 1.00 1.00 N ATOM 157 CA THR A 212 -10.422 -9.848 2.794 1.00 1.00 C ATOM 158 C THR A 212 -10.908 -10.714 1.631 1.00 1.00 C ATOM 159 O THR A 212 -10.106 -11.296 0.897 1.00 1.00 O ATOM 160 CB THR A 212 -10.066 -8.430 2.281 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.107 -7.922 1.435 1.00 1.00 O ATOM 162 CG2 THR A 212 -8.753 -8.439 1.515 1.00 1.00 C ATOM 0 H THR A 212 -8.405 -9.988 3.339 1.00 1.00 H new ATOM 0 HA THR A 212 -11.219 -9.749 3.530 1.00 1.00 H new ATOM 0 HB THR A 212 -9.961 -7.783 3.152 1.00 1.00 H new ATOM 0 HG1 THR A 212 -10.726 -7.651 0.574 1.00 1.00 H new ATOM 0 HG21 THR A 212 -8.528 -7.431 1.167 1.00 1.00 H new ATOM 0 HG22 THR A 212 -7.952 -8.784 2.169 1.00 1.00 H new ATOM 0 HG23 THR A 212 -8.836 -9.109 0.659 1.00 1.00 H new ATOM 170 N PRO A 213 -12.233 -10.844 1.476 1.00 1.00 N ATOM 171 CA PRO A 213 -12.827 -11.637 0.398 1.00 1.00 C ATOM 172 C PRO A 213 -12.691 -10.957 -0.964 1.00 1.00 C ATOM 173 O PRO A 213 -12.741 -11.613 -2.007 1.00 1.00 O ATOM 174 CB PRO A 213 -14.299 -11.735 0.801 1.00 1.00 C ATOM 175 CG PRO A 213 -14.548 -10.532 1.643 1.00 1.00 C ATOM 176 CD PRO A 213 -13.256 -10.244 2.354 1.00 1.00 C ATOM 0 HA PRO A 213 -12.337 -12.604 0.284 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -14.948 -11.745 -0.075 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -14.496 -12.653 1.355 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -14.852 -9.684 1.030 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -15.352 -10.715 2.356 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -13.098 -9.173 2.479 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -13.239 -10.687 3.350 1.00 1.00 H new ATOM 184 N LEU A 214 -12.499 -9.644 -0.949 1.00 1.00 N ATOM 185 CA LEU A 214 -12.373 -8.878 -2.179 1.00 1.00 C ATOM 186 C LEU A 214 -11.343 -7.766 -2.025 1.00 1.00 C ATOM 187 O LEU A 214 -11.528 -6.850 -1.224 1.00 1.00 O ATOM 188 CB LEU A 214 -13.729 -8.276 -2.570 1.00 1.00 C ATOM 189 CG LEU A 214 -13.726 -7.435 -3.849 1.00 1.00 C ATOM 190 CD1 LEU A 214 -13.564 -8.324 -5.074 1.00 1.00 C ATOM 191 CD2 LEU A 214 -15.001 -6.612 -3.946 1.00 1.00 C ATOM 0 H LEU A 214 -12.427 -9.088 -0.097 1.00 1.00 H new ATOM 0 HA LEU A 214 -12.038 -9.555 -2.965 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -14.447 -9.087 -2.690 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -14.083 -7.655 -1.747 1.00 1.00 H new ATOM 0 HG LEU A 214 -12.878 -6.751 -3.811 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -13.564 -7.708 -5.973 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -12.622 -8.868 -5.007 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -14.390 -9.034 -5.120 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -14.983 -6.020 -4.861 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -15.864 -7.278 -3.962 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -15.071 -5.947 -3.085 1.00 1.00 H new ATOM 203 N TRP A 215 -10.260 -7.859 -2.787 1.00 1.00 N ATOM 204 CA TRP A 215 -9.208 -6.850 -2.748 1.00 1.00 C ATOM 205 C TRP A 215 -9.586 -5.668 -3.630 1.00 1.00 C ATOM 206 O TRP A 215 -10.509 -5.764 -4.440 1.00 1.00 O ATOM 207 CB TRP A 215 -7.878 -7.439 -3.217 1.00 1.00 C ATOM 208 CG TRP A 215 -7.156 -8.192 -2.148 1.00 1.00 C ATOM 209 CD1 TRP A 215 -7.327 -9.502 -1.813 1.00 1.00 C ATOM 210 CD2 TRP A 215 -6.151 -7.676 -1.268 1.00 1.00 C ATOM 211 NE1 TRP A 215 -6.490 -9.836 -0.775 1.00 1.00 N ATOM 212 CE2 TRP A 215 -5.760 -8.727 -0.419 1.00 1.00 C ATOM 213 CE3 TRP A 215 -5.549 -6.424 -1.112 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -4.789 -8.563 0.566 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -4.586 -6.264 -0.133 1.00 1.00 C ATOM 216 CH2 TRP A 215 -4.218 -7.326 0.697 1.00 1.00 C ATOM 0 H TRP A 215 -10.087 -8.623 -3.440 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.096 -6.511 -1.718 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -8.061 -8.105 -4.061 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -7.239 -6.633 -3.579 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -8.019 -10.179 -2.293 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -6.422 -10.756 -0.340 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -5.831 -5.596 -1.745 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -4.497 -9.384 1.204 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -4.110 -5.302 -0.008 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -3.468 -7.168 1.457 1.00 1.00 H new ATOM 227 N ARG A 216 -8.885 -4.557 -3.472 1.00 1.00 N ATOM 228 CA ARG A 216 -9.165 -3.372 -4.267 1.00 1.00 C ATOM 229 C ARG A 216 -7.884 -2.765 -4.823 1.00 1.00 C ATOM 230 O ARG A 216 -6.906 -2.576 -4.099 1.00 1.00 O ATOM 231 CB ARG A 216 -9.922 -2.335 -3.429 1.00 1.00 C ATOM 232 CG ARG A 216 -11.200 -1.842 -4.089 1.00 1.00 C ATOM 233 CD ARG A 216 -12.204 -2.972 -4.255 1.00 1.00 C ATOM 234 NE ARG A 216 -12.958 -2.863 -5.502 1.00 1.00 N ATOM 235 CZ ARG A 216 -13.035 -3.832 -6.415 1.00 1.00 C ATOM 236 NH1 ARG A 216 -12.380 -4.975 -6.238 1.00 1.00 N ATOM 237 NH2 ARG A 216 -13.759 -3.651 -7.512 1.00 1.00 N ATOM 0 H ARG A 216 -8.122 -4.451 -2.804 1.00 1.00 H new ATOM 0 HA ARG A 216 -9.789 -3.673 -5.109 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -10.167 -2.770 -2.460 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -9.268 -1.484 -3.240 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -11.640 -1.047 -3.487 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -10.967 -1.413 -5.063 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -11.680 -3.927 -4.232 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -12.896 -2.967 -3.413 1.00 1.00 H new ATOM 0 HE ARG A 216 -13.456 -1.992 -5.685 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -11.815 -5.114 -5.400 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -12.443 -5.713 -6.940 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -14.256 -2.772 -7.656 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -13.819 -4.391 -8.211 1.00 1.00 H new ATOM 251 N ARG A 217 -7.894 -2.483 -6.117 1.00 1.00 N ATOM 252 CA ARG A 217 -6.753 -1.879 -6.784 1.00 1.00 C ATOM 253 C ARG A 217 -7.215 -0.631 -7.522 1.00 1.00 C ATOM 254 O ARG A 217 -8.001 -0.712 -8.468 1.00 1.00 O ATOM 255 CB ARG A 217 -6.103 -2.859 -7.764 1.00 1.00 C ATOM 256 CG ARG A 217 -4.662 -2.505 -8.104 1.00 1.00 C ATOM 257 CD ARG A 217 -4.183 -3.230 -9.352 1.00 1.00 C ATOM 258 NE ARG A 217 -2.720 -3.286 -9.420 1.00 1.00 N ATOM 259 CZ ARG A 217 -1.984 -2.692 -10.360 1.00 1.00 C ATOM 260 NH1 ARG A 217 -2.563 -1.994 -11.329 1.00 1.00 N ATOM 261 NH2 ARG A 217 -0.660 -2.809 -10.329 1.00 1.00 N ATOM 0 H ARG A 217 -8.688 -2.665 -6.730 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.006 -1.614 -6.035 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -6.132 -3.862 -7.337 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -6.689 -2.886 -8.682 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -4.578 -1.429 -8.254 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -4.017 -2.762 -7.264 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -4.587 -4.243 -9.362 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -4.569 -2.724 -10.237 1.00 1.00 H new ATOM 0 HE ARG A 217 -2.231 -3.816 -8.699 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -3.579 -1.909 -11.359 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -1.992 -1.543 -12.044 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -0.213 -3.351 -9.589 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -0.091 -2.357 -11.045 1.00 1.00 H new ATOM 275 N ASP A 218 -6.744 0.519 -7.082 1.00 1.00 N ATOM 276 CA ASP A 218 -7.131 1.782 -7.694 1.00 1.00 C ATOM 277 C ASP A 218 -6.223 2.129 -8.875 1.00 1.00 C ATOM 278 O ASP A 218 -5.380 1.328 -9.285 1.00 1.00 O ATOM 279 CB ASP A 218 -7.102 2.903 -6.652 1.00 1.00 C ATOM 280 CG ASP A 218 -5.720 3.493 -6.487 1.00 1.00 C ATOM 281 OD1 ASP A 218 -4.831 2.805 -5.957 1.00 1.00 O ATOM 282 OD2 ASP A 218 -5.511 4.644 -6.915 1.00 1.00 O ATOM 0 H ASP A 218 -6.092 0.609 -6.303 1.00 1.00 H new ATOM 0 HA ASP A 218 -8.147 1.676 -8.074 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -7.798 3.689 -6.946 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -7.446 2.515 -5.693 1.00 1.00 H new ATOM 287 N ARG A 219 -6.398 3.337 -9.405 1.00 1.00 N ATOM 288 CA ARG A 219 -5.625 3.819 -10.547 1.00 1.00 C ATOM 289 C ARG A 219 -4.137 3.958 -10.223 1.00 1.00 C ATOM 290 O ARG A 219 -3.288 3.756 -11.090 1.00 1.00 O ATOM 291 CB ARG A 219 -6.181 5.167 -11.015 1.00 1.00 C ATOM 292 CG ARG A 219 -7.508 5.058 -11.750 1.00 1.00 C ATOM 293 CD ARG A 219 -7.309 5.027 -13.257 1.00 1.00 C ATOM 294 NE ARG A 219 -6.381 3.974 -13.675 1.00 1.00 N ATOM 295 CZ ARG A 219 -5.342 4.171 -14.488 1.00 1.00 C ATOM 296 NH1 ARG A 219 -5.062 5.389 -14.935 1.00 1.00 N ATOM 297 NH2 ARG A 219 -4.580 3.149 -14.848 1.00 1.00 N ATOM 0 H ARG A 219 -7.080 4.010 -9.055 1.00 1.00 H new ATOM 0 HA ARG A 219 -5.718 3.079 -11.341 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -6.307 5.818 -10.150 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -5.451 5.644 -11.669 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.028 4.154 -11.432 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.143 5.902 -11.483 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -8.272 4.874 -13.745 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -6.932 5.994 -13.591 1.00 1.00 H new ATOM 0 HE ARG A 219 -6.539 3.030 -13.322 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -5.643 6.180 -14.657 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -4.266 5.534 -15.556 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -4.788 2.212 -14.504 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -3.785 3.299 -15.470 1.00 1.00 H new ATOM 311 N THR A 220 -3.821 4.295 -8.977 1.00 1.00 N ATOM 312 CA THR A 220 -2.430 4.461 -8.571 1.00 1.00 C ATOM 313 C THR A 220 -1.784 3.115 -8.249 1.00 1.00 C ATOM 314 O THR A 220 -0.617 3.053 -7.847 1.00 1.00 O ATOM 315 CB THR A 220 -2.293 5.413 -7.357 1.00 1.00 C ATOM 316 OG1 THR A 220 -2.959 4.871 -6.207 1.00 1.00 O ATOM 317 CG2 THR A 220 -2.872 6.783 -7.677 1.00 1.00 C ATOM 0 H THR A 220 -4.503 4.457 -8.236 1.00 1.00 H new ATOM 0 HA THR A 220 -1.908 4.910 -9.416 1.00 1.00 H new ATOM 0 HB THR A 220 -1.230 5.518 -7.137 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.468 5.579 -5.760 1.00 1.00 H new ATOM 0 HG21 THR A 220 -2.765 7.435 -6.810 1.00 1.00 H new ATOM 0 HG22 THR A 220 -2.338 7.215 -8.524 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.928 6.682 -7.927 1.00 1.00 H new ATOM 325 N GLY A 221 -2.547 2.040 -8.432 1.00 1.00 N ATOM 326 CA GLY A 221 -2.039 0.706 -8.173 1.00 1.00 C ATOM 327 C GLY A 221 -1.820 0.437 -6.701 1.00 1.00 C ATOM 328 O GLY A 221 -0.975 -0.382 -6.330 1.00 1.00 O ATOM 0 H GLY A 221 -3.513 2.071 -8.757 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -2.739 -0.028 -8.571 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -1.098 0.571 -8.706 1.00 1.00 H new ATOM 332 N HIS A 222 -2.578 1.118 -5.854 1.00 1.00 N ATOM 333 CA HIS A 222 -2.449 0.938 -4.418 1.00 1.00 C ATOM 334 C HIS A 222 -3.266 -0.257 -3.961 1.00 1.00 C ATOM 335 O HIS A 222 -4.494 -0.203 -3.912 1.00 1.00 O ATOM 336 CB HIS A 222 -2.877 2.198 -3.660 1.00 1.00 C ATOM 337 CG HIS A 222 -1.808 3.246 -3.605 1.00 1.00 C ATOM 338 ND1 HIS A 222 -1.814 4.290 -2.705 1.00 1.00 N ATOM 339 CD2 HIS A 222 -0.675 3.395 -4.335 1.00 1.00 C ATOM 340 CE1 HIS A 222 -0.737 5.026 -2.882 1.00 1.00 C ATOM 341 NE2 HIS A 222 -0.027 4.510 -3.865 1.00 1.00 N ATOM 0 H HIS A 222 -3.285 1.797 -6.136 1.00 1.00 H new ATOM 0 HA HIS A 222 -1.398 0.753 -4.195 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -3.763 2.617 -4.136 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -3.161 1.924 -2.644 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -0.343 2.754 -5.139 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -0.478 5.908 -2.315 1.00 1.00 H new ATOM 0 HE2 HIS A 222 0.857 4.878 -4.218 1.00 1.00 H new ATOM 350 N TYR A 223 -2.568 -1.342 -3.660 1.00 1.00 N ATOM 351 CA TYR A 223 -3.204 -2.564 -3.199 1.00 1.00 C ATOM 352 C TYR A 223 -3.742 -2.370 -1.792 1.00 1.00 C ATOM 353 O TYR A 223 -2.980 -2.264 -0.829 1.00 1.00 O ATOM 354 CB TYR A 223 -2.210 -3.728 -3.222 1.00 1.00 C ATOM 355 CG TYR A 223 -1.577 -3.964 -4.575 1.00 1.00 C ATOM 356 CD1 TYR A 223 -2.287 -4.579 -5.596 1.00 1.00 C ATOM 357 CD2 TYR A 223 -0.269 -3.568 -4.830 1.00 1.00 C ATOM 358 CE1 TYR A 223 -1.712 -4.792 -6.834 1.00 1.00 C ATOM 359 CE2 TYR A 223 0.315 -3.778 -6.064 1.00 1.00 C ATOM 360 CZ TYR A 223 -0.412 -4.389 -7.064 1.00 1.00 C ATOM 361 OH TYR A 223 0.159 -4.592 -8.304 1.00 1.00 O ATOM 0 H TYR A 223 -1.552 -1.399 -3.728 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.031 -2.799 -3.869 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -1.424 -3.536 -2.492 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.722 -4.637 -2.907 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -3.304 -4.896 -5.420 1.00 1.00 H new ATOM 0 HD2 TYR A 223 0.301 -3.087 -4.049 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -2.278 -5.272 -7.619 1.00 1.00 H new ATOM 0 HE2 TYR A 223 1.333 -3.466 -6.244 1.00 1.00 H new ATOM 0 HH TYR A 223 1.078 -4.251 -8.301 1.00 1.00 H new ATOM 371 N LEU A 224 -5.054 -2.299 -1.684 1.00 1.00 N ATOM 372 CA LEU A 224 -5.704 -2.114 -0.401 1.00 1.00 C ATOM 373 C LEU A 224 -6.656 -3.272 -0.147 1.00 1.00 C ATOM 374 O LEU A 224 -7.340 -3.724 -1.069 1.00 1.00 O ATOM 375 CB LEU A 224 -6.450 -0.775 -0.377 1.00 1.00 C ATOM 376 CG LEU A 224 -5.595 0.444 -0.747 1.00 1.00 C ATOM 377 CD1 LEU A 224 -6.475 1.642 -1.063 1.00 1.00 C ATOM 378 CD2 LEU A 224 -4.625 0.779 0.377 1.00 1.00 C ATOM 0 H LEU A 224 -5.695 -2.367 -2.475 1.00 1.00 H new ATOM 0 HA LEU A 224 -4.955 -2.096 0.391 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.293 -0.832 -1.065 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -6.863 -0.623 0.620 1.00 1.00 H new ATOM 0 HG LEU A 224 -5.019 0.197 -1.638 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -5.848 2.495 -1.323 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -7.128 1.402 -1.902 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -7.081 1.889 -0.191 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -4.028 1.646 0.096 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -5.184 1.003 1.285 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -3.968 -0.072 0.556 1.00 1.00 H new ATOM 390 N CYS A 225 -6.667 -3.760 1.091 1.00 1.00 N ATOM 391 CA CYS A 225 -7.515 -4.879 1.482 1.00 1.00 C ATOM 392 C CYS A 225 -8.971 -4.644 1.089 1.00 1.00 C ATOM 393 O CYS A 225 -9.488 -5.273 0.165 1.00 1.00 O ATOM 394 CB CYS A 225 -7.407 -5.107 2.991 1.00 1.00 C ATOM 395 SG CYS A 225 -7.623 -3.601 4.001 1.00 1.00 S ATOM 0 H CYS A 225 -6.090 -3.392 1.847 1.00 1.00 H new ATOM 0 HA CYS A 225 -7.169 -5.767 0.953 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -8.156 -5.840 3.290 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -6.431 -5.540 3.211 1.00 1.00 H new ATOM 400 N ASN A 226 -9.623 -3.746 1.807 1.00 1.00 N ATOM 401 CA ASN A 226 -11.014 -3.420 1.540 1.00 1.00 C ATOM 402 C ASN A 226 -11.415 -2.151 2.280 1.00 1.00 C ATOM 403 O ASN A 226 -11.835 -1.174 1.664 1.00 1.00 O ATOM 404 CB ASN A 226 -11.928 -4.578 1.953 1.00 1.00 C ATOM 405 CG ASN A 226 -13.302 -4.481 1.323 1.00 1.00 C ATOM 406 OD1 ASN A 226 -14.200 -3.835 1.861 1.00 1.00 O ATOM 407 ND2 ASN A 226 -13.479 -5.121 0.176 1.00 1.00 N ATOM 0 H ASN A 226 -9.210 -3.228 2.582 1.00 1.00 H new ATOM 0 HA ASN A 226 -11.125 -3.253 0.469 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -11.466 -5.523 1.666 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -12.029 -4.589 3.038 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -14.385 -5.088 -0.292 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -12.709 -5.646 -0.239 1.00 1.00 H new ATOM 414 N ALA A 227 -11.263 -2.168 3.601 1.00 1.00 N ATOM 415 CA ALA A 227 -11.613 -1.021 4.437 1.00 1.00 C ATOM 416 C ALA A 227 -10.789 0.203 4.057 1.00 1.00 C ATOM 417 O ALA A 227 -11.331 1.274 3.785 1.00 1.00 O ATOM 418 CB ALA A 227 -11.411 -1.356 5.907 1.00 1.00 C ATOM 0 H ALA A 227 -10.898 -2.967 4.119 1.00 1.00 H new ATOM 0 HA ALA A 227 -12.665 -0.789 4.270 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -11.676 -0.492 6.517 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -12.045 -2.200 6.178 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -10.367 -1.616 6.081 1.00 1.00 H new ATOM 424 N CYS A 228 -9.474 0.028 4.021 1.00 1.00 N ATOM 425 CA CYS A 228 -8.560 1.104 3.668 1.00 1.00 C ATOM 426 C CYS A 228 -8.746 1.537 2.211 1.00 1.00 C ATOM 427 O CYS A 228 -8.299 2.611 1.807 1.00 1.00 O ATOM 428 CB CYS A 228 -7.129 0.638 3.911 1.00 1.00 C ATOM 429 SG CYS A 228 -6.964 -0.452 5.361 1.00 1.00 S ATOM 0 H CYS A 228 -9.015 -0.857 4.234 1.00 1.00 H new ATOM 0 HA CYS A 228 -8.775 1.971 4.293 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.770 0.112 3.026 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -6.488 1.509 4.045 1.00 1.00 H new ATOM 434 N GLY A 229 -9.422 0.696 1.435 1.00 1.00 N ATOM 435 CA GLY A 229 -9.672 0.997 0.039 1.00 1.00 C ATOM 436 C GLY A 229 -10.622 2.164 -0.135 1.00 1.00 C ATOM 437 O GLY A 229 -10.585 2.864 -1.148 1.00 1.00 O ATOM 0 H GLY A 229 -9.803 -0.195 1.752 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -8.728 1.223 -0.457 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -10.087 0.117 -0.452 1.00 1.00 H new ATOM 441 N LEU A 230 -11.464 2.382 0.865 1.00 1.00 N ATOM 442 CA LEU A 230 -12.435 3.467 0.831 1.00 1.00 C ATOM 443 C LEU A 230 -11.743 4.815 0.993 1.00 1.00 C ATOM 444 O LEU A 230 -12.231 5.837 0.510 1.00 1.00 O ATOM 445 CB LEU A 230 -13.478 3.276 1.935 1.00 1.00 C ATOM 446 CG LEU A 230 -14.282 1.977 1.845 1.00 1.00 C ATOM 447 CD1 LEU A 230 -15.140 1.795 3.087 1.00 1.00 C ATOM 448 CD2 LEU A 230 -15.146 1.970 0.592 1.00 1.00 C ATOM 0 H LEU A 230 -11.494 1.818 1.715 1.00 1.00 H new ATOM 0 HA LEU A 230 -12.935 3.450 -0.137 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -12.973 3.308 2.901 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -14.171 4.117 1.910 1.00 1.00 H new ATOM 0 HG LEU A 230 -13.583 1.143 1.785 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -15.705 0.866 3.006 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -14.500 1.755 3.969 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -15.831 2.633 3.178 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -15.711 1.039 0.545 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -15.837 2.812 0.622 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.510 2.054 -0.289 1.00 1.00 H new ATOM 460 N TYR A 231 -10.591 4.804 1.653 1.00 1.00 N ATOM 461 CA TYR A 231 -9.824 6.023 1.886 1.00 1.00 C ATOM 462 C TYR A 231 -9.355 6.640 0.576 1.00 1.00 C ATOM 463 O TYR A 231 -9.405 7.857 0.398 1.00 1.00 O ATOM 464 CB TYR A 231 -8.613 5.735 2.776 1.00 1.00 C ATOM 465 CG TYR A 231 -8.915 5.822 4.252 1.00 1.00 C ATOM 466 CD1 TYR A 231 -9.006 7.055 4.885 1.00 1.00 C ATOM 467 CD2 TYR A 231 -9.110 4.676 5.012 1.00 1.00 C ATOM 468 CE1 TYR A 231 -9.280 7.144 6.233 1.00 1.00 C ATOM 469 CE2 TYR A 231 -9.385 4.757 6.364 1.00 1.00 C ATOM 470 CZ TYR A 231 -9.469 5.994 6.968 1.00 1.00 C ATOM 471 OH TYR A 231 -9.738 6.086 8.314 1.00 1.00 O ATOM 0 H TYR A 231 -10.166 3.961 2.038 1.00 1.00 H new ATOM 0 HA TYR A 231 -10.482 6.732 2.389 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -8.234 4.738 2.549 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -7.818 6.441 2.534 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -8.860 7.959 4.312 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -9.046 3.707 4.539 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -9.346 8.110 6.711 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -9.533 3.858 6.944 1.00 1.00 H new ATOM 0 HH TYR A 231 -9.846 5.187 8.688 1.00 1.00 H new ATOM 481 N HIS A 232 -8.926 5.796 -0.348 1.00 1.00 N ATOM 482 CA HIS A 232 -8.434 6.262 -1.642 1.00 1.00 C ATOM 483 C HIS A 232 -9.584 6.702 -2.554 1.00 1.00 C ATOM 484 O HIS A 232 -9.356 7.220 -3.646 1.00 1.00 O ATOM 485 CB HIS A 232 -7.619 5.158 -2.322 1.00 1.00 C ATOM 486 CG HIS A 232 -6.530 5.667 -3.222 1.00 1.00 C ATOM 487 ND1 HIS A 232 -6.742 6.609 -4.205 1.00 1.00 N ATOM 488 CD2 HIS A 232 -5.213 5.360 -3.279 1.00 1.00 C ATOM 489 CE1 HIS A 232 -5.604 6.858 -4.826 1.00 1.00 C ATOM 490 NE2 HIS A 232 -4.660 6.115 -4.282 1.00 1.00 N ATOM 0 H HIS A 232 -8.907 4.783 -0.230 1.00 1.00 H new ATOM 0 HA HIS A 232 -7.796 7.128 -1.466 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -7.175 4.524 -1.555 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -8.293 4.530 -2.904 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -7.638 7.046 -4.419 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.693 4.652 -2.651 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -5.469 7.553 -5.642 1.00 1.00 H new ATOM 499 N LYS A 233 -10.817 6.505 -2.099 1.00 1.00 N ATOM 500 CA LYS A 233 -11.988 6.876 -2.887 1.00 1.00 C ATOM 501 C LYS A 233 -12.735 8.052 -2.259 1.00 1.00 C ATOM 502 O LYS A 233 -12.943 9.076 -2.904 1.00 1.00 O ATOM 503 CB LYS A 233 -12.932 5.679 -3.035 1.00 1.00 C ATOM 504 CG LYS A 233 -14.020 5.894 -4.074 1.00 1.00 C ATOM 505 CD LYS A 233 -15.055 4.782 -4.043 1.00 1.00 C ATOM 506 CE LYS A 233 -15.955 4.883 -2.821 1.00 1.00 C ATOM 507 NZ LYS A 233 -17.246 4.171 -3.021 1.00 1.00 N ATOM 0 H LYS A 233 -11.032 6.092 -1.191 1.00 1.00 H new ATOM 0 HA LYS A 233 -11.639 7.183 -3.873 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -12.350 4.798 -3.306 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -13.396 5.470 -2.071 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -14.509 6.852 -3.896 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -13.571 5.945 -5.066 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -15.663 4.826 -4.947 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -14.551 3.816 -4.044 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -15.440 4.465 -1.956 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -16.150 5.932 -2.600 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -17.830 4.264 -2.165 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -17.750 4.586 -3.831 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -17.062 3.164 -3.207 1.00 1.00 H new ATOM 521 N MET A 234 -13.120 7.904 -0.995 1.00 1.00 N ATOM 522 CA MET A 234 -13.866 8.944 -0.288 1.00 1.00 C ATOM 523 C MET A 234 -13.009 10.178 -0.036 1.00 1.00 C ATOM 524 O MET A 234 -13.422 11.299 -0.334 1.00 1.00 O ATOM 525 CB MET A 234 -14.401 8.412 1.043 1.00 1.00 C ATOM 526 CG MET A 234 -15.053 9.482 1.904 1.00 1.00 C ATOM 527 SD MET A 234 -15.555 8.864 3.518 1.00 1.00 S ATOM 528 CE MET A 234 -16.021 10.391 4.329 1.00 1.00 C ATOM 0 H MET A 234 -12.928 7.072 -0.437 1.00 1.00 H new ATOM 0 HA MET A 234 -14.702 9.232 -0.926 1.00 1.00 H new ATOM 0 HB2 MET A 234 -15.127 7.624 0.845 1.00 1.00 H new ATOM 0 HB3 MET A 234 -13.581 7.958 1.600 1.00 1.00 H new ATOM 0 HG2 MET A 234 -14.356 10.310 2.037 1.00 1.00 H new ATOM 0 HG3 MET A 234 -15.925 9.879 1.384 1.00 1.00 H new ATOM 0 HE1 MET A 234 -16.357 10.176 5.344 1.00 1.00 H new ATOM 0 HE2 MET A 234 -15.162 11.061 4.365 1.00 1.00 H new ATOM 0 HE3 MET A 234 -16.829 10.867 3.773 1.00 1.00 H new ATOM 538 N ASN A 235 -11.822 9.969 0.513 1.00 1.00 N ATOM 539 CA ASN A 235 -10.920 11.074 0.815 1.00 1.00 C ATOM 540 C ASN A 235 -10.285 11.616 -0.455 1.00 1.00 C ATOM 541 O ASN A 235 -9.983 12.805 -0.554 1.00 1.00 O ATOM 542 CB ASN A 235 -9.821 10.632 1.786 1.00 1.00 C ATOM 543 CG ASN A 235 -10.306 10.503 3.216 1.00 1.00 C ATOM 544 OD1 ASN A 235 -11.470 10.196 3.471 1.00 1.00 O ATOM 545 ND2 ASN A 235 -9.410 10.739 4.160 1.00 1.00 N ATOM 0 H ASN A 235 -11.460 9.048 0.759 1.00 1.00 H new ATOM 0 HA ASN A 235 -11.510 11.862 1.282 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -9.419 9.674 1.458 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -9.002 11.351 1.750 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -9.674 10.669 5.143 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -8.455 10.991 3.905 1.00 1.00 H new ATOM 552 N GLY A 236 -10.076 10.729 -1.420 1.00 1.00 N ATOM 553 CA GLY A 236 -9.466 11.125 -2.676 1.00 1.00 C ATOM 554 C GLY A 236 -7.959 11.212 -2.562 1.00 1.00 C ATOM 555 O GLY A 236 -7.274 11.611 -3.506 1.00 1.00 O ATOM 0 H GLY A 236 -10.318 9.740 -1.355 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -9.732 10.407 -3.452 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -9.864 12.091 -2.986 1.00 1.00 H new ATOM 559 N GLN A 237 -7.447 10.823 -1.403 1.00 1.00 N ATOM 560 CA GLN A 237 -6.017 10.857 -1.142 1.00 1.00 C ATOM 561 C GLN A 237 -5.321 9.650 -1.758 1.00 1.00 C ATOM 562 O GLN A 237 -5.972 8.730 -2.252 1.00 1.00 O ATOM 563 CB GLN A 237 -5.755 10.904 0.362 1.00 1.00 C ATOM 564 CG GLN A 237 -6.161 12.219 1.001 1.00 1.00 C ATOM 565 CD GLN A 237 -6.071 12.188 2.513 1.00 1.00 C ATOM 566 OE1 GLN A 237 -7.047 11.880 3.196 1.00 1.00 O ATOM 567 NE2 GLN A 237 -4.904 12.511 3.047 1.00 1.00 N ATOM 0 H GLN A 237 -8.007 10.478 -0.623 1.00 1.00 H new ATOM 0 HA GLN A 237 -5.610 11.757 -1.602 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -6.298 10.091 0.844 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -4.694 10.731 0.545 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -5.522 13.016 0.620 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -7.182 12.461 0.707 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -4.119 12.760 2.445 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -4.789 12.511 4.061 1.00 1.00 H new ATOM 576 N ASN A 238 -3.999 9.657 -1.712 1.00 1.00 N ATOM 577 CA ASN A 238 -3.204 8.574 -2.274 1.00 1.00 C ATOM 578 C ASN A 238 -2.808 7.586 -1.185 1.00 1.00 C ATOM 579 O ASN A 238 -2.280 8.034 -0.147 1.00 1.00 O ATOM 580 CB ASN A 238 -1.954 9.139 -2.948 1.00 1.00 C ATOM 581 CG ASN A 238 -1.291 8.151 -3.887 1.00 1.00 C ATOM 582 OD1 ASN A 238 -1.954 7.312 -4.497 1.00 1.00 O ATOM 583 ND2 ASN A 238 0.023 8.248 -4.011 1.00 1.00 N ATOM 0 H ASN A 238 -3.450 10.405 -1.289 1.00 1.00 H new ATOM 0 HA ASN A 238 -3.804 8.050 -3.018 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -2.222 10.037 -3.504 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -1.239 9.440 -2.182 1.00 1.00 H new ATOM 0 HD21 ASN A 238 0.525 7.612 -4.631 1.00 1.00 H new ATOM 0 HD22 ASN A 238 0.534 8.958 -3.487 1.00 1.00 H new TER 590 ASN A 238 ATOM 591 N GLY B 1 22.427 0.290 -7.606 1.00 1.00 N ATOM 592 CA GLY B 1 21.138 0.392 -6.884 1.00 1.00 C ATOM 593 C GLY B 1 21.239 1.278 -5.663 1.00 1.00 C ATOM 594 O GLY B 1 22.324 1.778 -5.348 1.00 1.00 O ATOM 0 H1 GLY B 1 22.314 0.659 -8.572 1.00 1.00 H new ATOM 0 H2 GLY B 1 23.150 0.845 -7.105 1.00 1.00 H new ATOM 0 H3 GLY B 1 22.723 -0.706 -7.649 1.00 1.00 H new ATOM 0 HA2 GLY B 1 20.377 0.787 -7.556 1.00 1.00 H new ATOM 0 HA3 GLY B 1 20.812 -0.604 -6.583 1.00 1.00 H new ATOM 600 N SER B 2 20.100 1.482 -4.991 1.00 1.00 N ATOM 601 CA SER B 2 20.006 2.314 -3.789 1.00 1.00 C ATOM 602 C SER B 2 20.035 3.798 -4.154 1.00 1.00 C ATOM 603 O SER B 2 19.144 4.560 -3.772 1.00 1.00 O ATOM 604 CB SER B 2 21.117 1.976 -2.788 1.00 1.00 C ATOM 605 OG SER B 2 21.153 0.583 -2.519 1.00 1.00 O ATOM 0 H SER B 2 19.210 1.070 -5.270 1.00 1.00 H new ATOM 0 HA SER B 2 19.052 2.098 -3.309 1.00 1.00 H new ATOM 0 HB2 SER B 2 22.080 2.298 -3.185 1.00 1.00 H new ATOM 0 HB3 SER B 2 20.955 2.525 -1.860 1.00 1.00 H new ATOM 0 HG SER B 2 21.871 0.392 -1.879 1.00 1.00 H new ATOM 611 N LEU B 3 21.050 4.200 -4.907 1.00 1.00 N ATOM 612 CA LEU B 3 21.187 5.582 -5.327 1.00 1.00 C ATOM 613 C LEU B 3 20.478 5.787 -6.658 1.00 1.00 C ATOM 614 O LEU B 3 20.773 5.093 -7.636 1.00 1.00 O ATOM 615 CB LEU B 3 22.664 5.966 -5.442 1.00 1.00 C ATOM 616 CG LEU B 3 22.930 7.453 -5.680 1.00 1.00 C ATOM 617 CD1 LEU B 3 22.451 8.276 -4.496 1.00 1.00 C ATOM 618 CD2 LEU B 3 24.410 7.693 -5.933 1.00 1.00 C ATOM 0 H LEU B 3 21.792 3.583 -5.239 1.00 1.00 H new ATOM 0 HA LEU B 3 20.727 6.226 -4.577 1.00 1.00 H new ATOM 0 HB2 LEU B 3 23.175 5.663 -4.528 1.00 1.00 H new ATOM 0 HB3 LEU B 3 23.109 5.398 -6.259 1.00 1.00 H new ATOM 0 HG LEU B 3 22.374 7.767 -6.563 1.00 1.00 H new ATOM 0 HD11 LEU B 3 22.648 9.332 -4.683 1.00 1.00 H new ATOM 0 HD12 LEU B 3 21.380 8.126 -4.358 1.00 1.00 H new ATOM 0 HD13 LEU B 3 22.980 7.962 -3.596 1.00 1.00 H new ATOM 0 HD21 LEU B 3 24.583 8.756 -6.101 1.00 1.00 H new ATOM 0 HD22 LEU B 3 24.985 7.364 -5.068 1.00 1.00 H new ATOM 0 HD23 LEU B 3 24.725 7.131 -6.813 1.00 1.00 H new ATOM 630 N LEU B 4 19.524 6.718 -6.668 1.00 1.00 N ATOM 631 CA LEU B 4 18.727 7.051 -7.856 1.00 1.00 C ATOM 632 C LEU B 4 17.629 6.013 -8.083 1.00 1.00 C ATOM 633 O LEU B 4 16.471 6.364 -8.312 1.00 1.00 O ATOM 634 CB LEU B 4 19.599 7.186 -9.114 1.00 1.00 C ATOM 635 CG LEU B 4 20.031 8.612 -9.468 1.00 1.00 C ATOM 636 CD1 LEU B 4 18.817 9.516 -9.617 1.00 1.00 C ATOM 637 CD2 LEU B 4 20.981 9.167 -8.418 1.00 1.00 C ATOM 0 H LEU B 4 19.278 7.269 -5.846 1.00 1.00 H new ATOM 0 HA LEU B 4 18.264 8.020 -7.668 1.00 1.00 H new ATOM 0 HB2 LEU B 4 20.493 6.577 -8.982 1.00 1.00 H new ATOM 0 HB3 LEU B 4 19.052 6.770 -9.960 1.00 1.00 H new ATOM 0 HG LEU B 4 20.558 8.579 -10.421 1.00 1.00 H new ATOM 0 HD11 LEU B 4 19.143 10.525 -9.869 1.00 1.00 H new ATOM 0 HD12 LEU B 4 18.174 9.134 -10.410 1.00 1.00 H new ATOM 0 HD13 LEU B 4 18.262 9.537 -8.679 1.00 1.00 H new ATOM 0 HD21 LEU B 4 21.274 10.181 -8.692 1.00 1.00 H new ATOM 0 HD22 LEU B 4 20.483 9.182 -7.449 1.00 1.00 H new ATOM 0 HD23 LEU B 4 21.868 8.536 -8.360 1.00 1.00 H new ATOM 649 N LYS B 5 17.996 4.742 -8.018 1.00 1.00 N ATOM 650 CA LYS B 5 17.043 3.659 -8.209 1.00 1.00 C ATOM 651 C LYS B 5 16.924 2.818 -6.942 1.00 1.00 C ATOM 652 O LYS B 5 17.878 2.147 -6.544 1.00 1.00 O ATOM 653 CB LYS B 5 17.461 2.772 -9.381 1.00 1.00 C ATOM 654 CG LYS B 5 17.417 3.478 -10.727 1.00 1.00 C ATOM 655 CD LYS B 5 17.560 2.491 -11.875 1.00 1.00 C ATOM 656 CE LYS B 5 16.373 1.545 -11.948 1.00 1.00 C ATOM 657 NZ LYS B 5 16.545 0.511 -13.002 1.00 1.00 N ATOM 0 H LYS B 5 18.951 4.434 -7.834 1.00 1.00 H new ATOM 0 HA LYS B 5 16.072 4.102 -8.432 1.00 1.00 H new ATOM 0 HB2 LYS B 5 18.473 2.406 -9.205 1.00 1.00 H new ATOM 0 HB3 LYS B 5 16.808 1.900 -9.416 1.00 1.00 H new ATOM 0 HG2 LYS B 5 16.476 4.019 -10.825 1.00 1.00 H new ATOM 0 HG3 LYS B 5 18.217 4.217 -10.778 1.00 1.00 H new ATOM 0 HD2 LYS B 5 17.651 3.035 -12.815 1.00 1.00 H new ATOM 0 HD3 LYS B 5 18.478 1.916 -11.750 1.00 1.00 H new ATOM 0 HE2 LYS B 5 16.238 1.058 -10.982 1.00 1.00 H new ATOM 0 HE3 LYS B 5 15.466 2.117 -12.146 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 15.712 -0.112 -13.016 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 16.648 0.973 -13.928 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 17.395 -0.052 -12.800 1.00 1.00 H new ATOM 671 N PRO B 6 15.753 2.856 -6.290 1.00 1.00 N ATOM 672 CA PRO B 6 15.502 2.092 -5.063 1.00 1.00 C ATOM 673 C PRO B 6 15.597 0.586 -5.298 1.00 1.00 C ATOM 674 O PRO B 6 14.998 0.055 -6.235 1.00 1.00 O ATOM 675 CB PRO B 6 14.073 2.489 -4.672 1.00 1.00 C ATOM 676 CG PRO B 6 13.459 3.006 -5.927 1.00 1.00 C ATOM 677 CD PRO B 6 14.579 3.647 -6.696 1.00 1.00 C ATOM 0 HA PRO B 6 16.238 2.310 -4.289 1.00 1.00 H new ATOM 0 HB2 PRO B 6 13.518 1.635 -4.284 1.00 1.00 H new ATOM 0 HB3 PRO B 6 14.074 3.249 -3.891 1.00 1.00 H new ATOM 0 HG2 PRO B 6 13.003 2.199 -6.500 1.00 1.00 H new ATOM 0 HG3 PRO B 6 12.671 3.727 -5.709 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.411 3.597 -7.772 1.00 1.00 H new ATOM 0 HD3 PRO B 6 14.694 4.700 -6.440 1.00 1.00 H new ATOM 685 N ALA B 7 16.345 -0.096 -4.445 1.00 1.00 N ATOM 686 CA ALA B 7 16.526 -1.534 -4.571 1.00 1.00 C ATOM 687 C ALA B 7 16.094 -2.247 -3.296 1.00 1.00 C ATOM 688 O ALA B 7 16.659 -3.274 -2.914 1.00 1.00 O ATOM 689 CB ALA B 7 17.977 -1.852 -4.899 1.00 1.00 C ATOM 0 H ALA B 7 16.837 0.324 -3.657 1.00 1.00 H new ATOM 0 HA ALA B 7 15.897 -1.893 -5.386 1.00 1.00 H new ATOM 0 HB1 ALA B 7 18.101 -2.931 -4.991 1.00 1.00 H new ATOM 0 HB2 ALA B 7 18.251 -1.374 -5.839 1.00 1.00 H new ATOM 0 HB3 ALA B 7 18.620 -1.479 -4.102 1.00 1.00 H new ATOM 695 N ARG B 8 15.087 -1.695 -2.638 1.00 1.00 N ATOM 696 CA ARG B 8 14.573 -2.269 -1.406 1.00 1.00 C ATOM 697 C ARG B 8 13.051 -2.329 -1.443 1.00 1.00 C ATOM 698 O ARG B 8 12.387 -1.301 -1.527 1.00 1.00 O ATOM 699 CB ARG B 8 15.037 -1.450 -0.196 1.00 1.00 C ATOM 700 CG ARG B 8 16.511 -1.631 0.138 1.00 1.00 C ATOM 701 CD ARG B 8 16.850 -3.093 0.385 1.00 1.00 C ATOM 702 NE ARG B 8 18.255 -3.284 0.736 1.00 1.00 N ATOM 703 CZ ARG B 8 19.163 -3.826 -0.079 1.00 1.00 C ATOM 704 NH1 ARG B 8 18.837 -4.154 -1.326 1.00 1.00 N ATOM 705 NH2 ARG B 8 20.405 -4.017 0.348 1.00 1.00 N ATOM 0 H ARG B 8 14.608 -0.846 -2.939 1.00 1.00 H new ATOM 0 HA ARG B 8 14.963 -3.282 -1.312 1.00 1.00 H new ATOM 0 HB2 ARG B 8 14.844 -0.394 -0.388 1.00 1.00 H new ATOM 0 HB3 ARG B 8 14.440 -1.731 0.672 1.00 1.00 H new ATOM 0 HG2 ARG B 8 17.121 -1.248 -0.681 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.760 -1.044 1.022 1.00 1.00 H new ATOM 0 HD2 ARG B 8 16.221 -3.479 1.188 1.00 1.00 H new ATOM 0 HD3 ARG B 8 16.619 -3.673 -0.508 1.00 1.00 H new ATOM 0 HE ARG B 8 18.562 -2.985 1.662 1.00 1.00 H new ATOM 0 HH11 ARG B 8 17.889 -3.992 -1.665 1.00 1.00 H new ATOM 0 HH12 ARG B 8 19.535 -4.568 -1.944 1.00 1.00 H new ATOM 0 HH21 ARG B 8 20.665 -3.750 1.298 1.00 1.00 H new ATOM 0 HH22 ARG B 8 21.100 -4.431 -0.273 1.00 1.00 H new ATOM 719 N PHE B 9 12.508 -3.537 -1.392 1.00 1.00 N ATOM 720 CA PHE B 9 11.061 -3.732 -1.413 1.00 1.00 C ATOM 721 C PHE B 9 10.587 -4.323 -0.091 1.00 1.00 C ATOM 722 O PHE B 9 9.525 -4.936 -0.012 1.00 1.00 O ATOM 723 CB PHE B 9 10.649 -4.634 -2.586 1.00 1.00 C ATOM 724 CG PHE B 9 11.512 -5.855 -2.764 1.00 1.00 C ATOM 725 CD1 PHE B 9 11.218 -7.035 -2.099 1.00 1.00 C ATOM 726 CD2 PHE B 9 12.616 -5.823 -3.603 1.00 1.00 C ATOM 727 CE1 PHE B 9 12.009 -8.156 -2.263 1.00 1.00 C ATOM 728 CE2 PHE B 9 13.410 -6.941 -3.771 1.00 1.00 C ATOM 729 CZ PHE B 9 13.105 -8.110 -3.101 1.00 1.00 C ATOM 0 H PHE B 9 13.048 -4.401 -1.336 1.00 1.00 H new ATOM 0 HA PHE B 9 10.586 -2.761 -1.550 1.00 1.00 H new ATOM 0 HB2 PHE B 9 9.617 -4.952 -2.439 1.00 1.00 H new ATOM 0 HB3 PHE B 9 10.675 -4.049 -3.505 1.00 1.00 H new ATOM 0 HD1 PHE B 9 10.360 -7.079 -1.445 1.00 1.00 H new ATOM 0 HD2 PHE B 9 12.858 -4.913 -4.132 1.00 1.00 H new ATOM 0 HE1 PHE B 9 11.770 -9.068 -1.736 1.00 1.00 H new ATOM 0 HE2 PHE B 9 14.268 -6.901 -4.425 1.00 1.00 H new ATOM 0 HZ PHE B 9 13.723 -8.986 -3.233 1.00 1.00 H new ATOM 739 N MET B 10 11.388 -4.123 0.945 1.00 1.00 N ATOM 740 CA MET B 10 11.078 -4.622 2.274 1.00 1.00 C ATOM 741 C MET B 10 11.163 -3.476 3.270 1.00 1.00 C ATOM 742 O MET B 10 11.977 -2.565 3.098 1.00 1.00 O ATOM 743 CB MET B 10 12.055 -5.739 2.663 1.00 1.00 C ATOM 744 CG MET B 10 11.830 -6.296 4.061 1.00 1.00 C ATOM 745 SD MET B 10 13.122 -7.445 4.571 1.00 1.00 S ATOM 746 CE MET B 10 12.683 -7.689 6.289 1.00 1.00 C ATOM 0 H MET B 10 12.269 -3.611 0.887 1.00 1.00 H new ATOM 0 HA MET B 10 10.068 -5.033 2.281 1.00 1.00 H new ATOM 0 HB2 MET B 10 11.969 -6.551 1.941 1.00 1.00 H new ATOM 0 HB3 MET B 10 13.074 -5.357 2.594 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.782 -5.471 4.772 1.00 1.00 H new ATOM 0 HG3 MET B 10 10.865 -6.803 4.094 1.00 1.00 H new ATOM 0 HE1 MET B 10 13.390 -8.379 6.751 1.00 1.00 H new ATOM 0 HE2 MET B 10 12.715 -6.733 6.812 1.00 1.00 H new ATOM 0 HE3 MET B 10 11.677 -8.104 6.352 1.00 1.00 H new ATOM 756 N CYS B 11 10.319 -3.510 4.292 1.00 1.00 N ATOM 757 CA CYS B 11 10.310 -2.467 5.301 1.00 1.00 C ATOM 758 C CYS B 11 11.480 -2.633 6.266 1.00 1.00 C ATOM 759 O CYS B 11 12.073 -3.708 6.371 1.00 1.00 O ATOM 760 CB CYS B 11 8.988 -2.484 6.075 1.00 1.00 C ATOM 761 SG CYS B 11 8.818 -1.136 7.285 1.00 1.00 S ATOM 0 H CYS B 11 9.633 -4.250 4.442 1.00 1.00 H new ATOM 0 HA CYS B 11 10.413 -1.507 4.795 1.00 1.00 H new ATOM 0 HB2 CYS B 11 8.163 -2.427 5.365 1.00 1.00 H new ATOM 0 HB3 CYS B 11 8.896 -3.438 6.594 1.00 1.00 H new ATOM 766 N LEU B 12 11.789 -1.561 6.975 1.00 1.00 N ATOM 767 CA LEU B 12 12.877 -1.556 7.938 1.00 1.00 C ATOM 768 C LEU B 12 12.365 -1.148 9.327 1.00 1.00 C ATOM 769 O LEU B 12 12.529 -1.903 10.284 1.00 1.00 O ATOM 770 CB LEU B 12 14.010 -0.624 7.485 1.00 1.00 C ATOM 771 CG LEU B 12 14.583 -0.913 6.096 1.00 1.00 C ATOM 772 CD1 LEU B 12 15.564 0.173 5.691 1.00 1.00 C ATOM 773 CD2 LEU B 12 15.262 -2.272 6.069 1.00 1.00 C ATOM 0 H LEU B 12 11.295 -0.672 6.900 1.00 1.00 H new ATOM 0 HA LEU B 12 13.278 -2.568 8.000 1.00 1.00 H new ATOM 0 HB2 LEU B 12 13.642 0.402 7.501 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.819 -0.684 8.213 1.00 1.00 H new ATOM 0 HG LEU B 12 13.760 -0.924 5.382 1.00 1.00 H new ATOM 0 HD11 LEU B 12 15.962 -0.048 4.701 1.00 1.00 H new ATOM 0 HD12 LEU B 12 15.053 1.136 5.670 1.00 1.00 H new ATOM 0 HD13 LEU B 12 16.382 0.212 6.411 1.00 1.00 H new ATOM 0 HD21 LEU B 12 15.663 -2.459 5.073 1.00 1.00 H new ATOM 0 HD22 LEU B 12 16.074 -2.287 6.796 1.00 1.00 H new ATOM 0 HD23 LEU B 12 14.537 -3.046 6.319 1.00 1.00 H new ATOM 785 N PRO B 13 11.738 0.046 9.473 1.00 1.00 N ATOM 786 CA PRO B 13 11.217 0.497 10.768 1.00 1.00 C ATOM 787 C PRO B 13 10.053 -0.365 11.245 1.00 1.00 C ATOM 788 O PRO B 13 10.027 -0.810 12.395 1.00 1.00 O ATOM 789 CB PRO B 13 10.748 1.935 10.506 1.00 1.00 C ATOM 790 CG PRO B 13 11.370 2.320 9.211 1.00 1.00 C ATOM 791 CD PRO B 13 11.494 1.050 8.423 1.00 1.00 C ATOM 0 HA PRO B 13 11.972 0.429 11.551 1.00 1.00 H new ATOM 0 HB2 PRO B 13 9.661 1.991 10.452 1.00 1.00 H new ATOM 0 HB3 PRO B 13 11.062 2.604 11.308 1.00 1.00 H new ATOM 0 HG2 PRO B 13 10.755 3.049 8.683 1.00 1.00 H new ATOM 0 HG3 PRO B 13 12.346 2.780 9.367 1.00 1.00 H new ATOM 0 HD2 PRO B 13 10.588 0.833 7.857 1.00 1.00 H new ATOM 0 HD3 PRO B 13 12.314 1.095 7.706 1.00 1.00 H new ATOM 799 N CYS B 14 9.094 -0.603 10.354 1.00 1.00 N ATOM 800 CA CYS B 14 7.939 -1.419 10.676 1.00 1.00 C ATOM 801 C CYS B 14 8.312 -2.893 10.579 1.00 1.00 C ATOM 802 O CYS B 14 8.045 -3.675 11.490 1.00 1.00 O ATOM 803 CB CYS B 14 6.789 -1.094 9.723 1.00 1.00 C ATOM 804 SG CYS B 14 6.726 0.651 9.199 1.00 1.00 S ATOM 0 H CYS B 14 9.099 -0.238 9.401 1.00 1.00 H new ATOM 0 HA CYS B 14 7.616 -1.204 11.694 1.00 1.00 H new ATOM 0 HB2 CYS B 14 6.875 -1.725 8.838 1.00 1.00 H new ATOM 0 HB3 CYS B 14 5.847 -1.351 10.207 1.00 1.00 H new ATOM 809 N GLY B 15 8.942 -3.253 9.471 1.00 1.00 N ATOM 810 CA GLY B 15 9.356 -4.626 9.263 1.00 1.00 C ATOM 811 C GLY B 15 8.209 -5.507 8.818 1.00 1.00 C ATOM 812 O GLY B 15 8.230 -6.718 9.025 1.00 1.00 O ATOM 0 H GLY B 15 9.175 -2.616 8.709 1.00 1.00 H new ATOM 0 HA2 GLY B 15 10.147 -4.656 8.514 1.00 1.00 H new ATOM 0 HA3 GLY B 15 9.778 -5.021 10.187 1.00 1.00 H new ATOM 816 N ILE B 16 7.203 -4.896 8.209 1.00 1.00 N ATOM 817 CA ILE B 16 6.038 -5.626 7.728 1.00 1.00 C ATOM 818 C ILE B 16 6.396 -6.389 6.452 1.00 1.00 C ATOM 819 O ILE B 16 7.190 -5.912 5.636 1.00 1.00 O ATOM 820 CB ILE B 16 4.833 -4.665 7.498 1.00 1.00 C ATOM 821 CG1 ILE B 16 3.970 -4.569 8.762 1.00 1.00 C ATOM 822 CG2 ILE B 16 3.967 -5.097 6.323 1.00 1.00 C ATOM 823 CD1 ILE B 16 4.698 -4.021 9.970 1.00 1.00 C ATOM 0 H ILE B 16 7.170 -3.891 8.035 1.00 1.00 H new ATOM 0 HA ILE B 16 5.734 -6.347 8.487 1.00 1.00 H new ATOM 0 HB ILE B 16 5.252 -3.686 7.264 1.00 1.00 H new ATOM 0 HG12 ILE B 16 3.108 -3.935 8.553 1.00 1.00 H new ATOM 0 HG13 ILE B 16 3.586 -5.560 9.002 1.00 1.00 H new ATOM 0 HG21 ILE B 16 3.141 -4.396 6.203 1.00 1.00 H new ATOM 0 HG22 ILE B 16 4.568 -5.109 5.413 1.00 1.00 H new ATOM 0 HG23 ILE B 16 3.572 -6.095 6.510 1.00 1.00 H new ATOM 0 HD11 ILE B 16 4.017 -3.986 10.820 1.00 1.00 H new ATOM 0 HD12 ILE B 16 5.544 -4.666 10.209 1.00 1.00 H new ATOM 0 HD13 ILE B 16 5.059 -3.016 9.752 1.00 1.00 H new ATOM 835 N ALA B 17 5.840 -7.586 6.307 1.00 1.00 N ATOM 836 CA ALA B 17 6.107 -8.423 5.142 1.00 1.00 C ATOM 837 C ALA B 17 5.555 -7.788 3.874 1.00 1.00 C ATOM 838 O ALA B 17 4.344 -7.599 3.737 1.00 1.00 O ATOM 839 CB ALA B 17 5.516 -9.808 5.335 1.00 1.00 C ATOM 0 H ALA B 17 5.199 -8.000 6.984 1.00 1.00 H new ATOM 0 HA ALA B 17 7.188 -8.514 5.035 1.00 1.00 H new ATOM 0 HB1 ALA B 17 5.725 -10.418 4.456 1.00 1.00 H new ATOM 0 HB2 ALA B 17 5.960 -10.274 6.214 1.00 1.00 H new ATOM 0 HB3 ALA B 17 4.438 -9.728 5.473 1.00 1.00 H new ATOM 845 N PHE B 18 6.447 -7.466 2.951 1.00 1.00 N ATOM 846 CA PHE B 18 6.060 -6.846 1.698 1.00 1.00 C ATOM 847 C PHE B 18 6.791 -7.495 0.532 1.00 1.00 C ATOM 848 O PHE B 18 7.916 -7.972 0.677 1.00 1.00 O ATOM 849 CB PHE B 18 6.366 -5.348 1.741 1.00 1.00 C ATOM 850 CG PHE B 18 5.151 -4.483 1.589 1.00 1.00 C ATOM 851 CD1 PHE B 18 4.162 -4.483 2.557 1.00 1.00 C ATOM 852 CD2 PHE B 18 5.001 -3.669 0.482 1.00 1.00 C ATOM 853 CE1 PHE B 18 3.043 -3.685 2.420 1.00 1.00 C ATOM 854 CE2 PHE B 18 3.886 -2.870 0.339 1.00 1.00 C ATOM 855 CZ PHE B 18 2.906 -2.878 1.309 1.00 1.00 C ATOM 0 H PHE B 18 7.450 -7.626 3.049 1.00 1.00 H new ATOM 0 HA PHE B 18 4.989 -6.988 1.556 1.00 1.00 H new ATOM 0 HB2 PHE B 18 6.854 -5.112 2.687 1.00 1.00 H new ATOM 0 HB3 PHE B 18 7.075 -5.107 0.948 1.00 1.00 H new ATOM 0 HD1 PHE B 18 4.266 -5.113 3.428 1.00 1.00 H new ATOM 0 HD2 PHE B 18 5.766 -3.659 -0.280 1.00 1.00 H new ATOM 0 HE1 PHE B 18 2.277 -3.693 3.181 1.00 1.00 H new ATOM 0 HE2 PHE B 18 3.781 -2.239 -0.531 1.00 1.00 H new ATOM 0 HZ PHE B 18 2.032 -2.253 1.199 1.00 1.00 H new ATOM 865 N SER B 19 6.128 -7.547 -0.609 1.00 1.00 N ATOM 866 CA SER B 19 6.706 -8.121 -1.811 1.00 1.00 C ATOM 867 C SER B 19 6.485 -7.188 -3.000 1.00 1.00 C ATOM 868 O SER B 19 7.226 -7.229 -3.982 1.00 1.00 O ATOM 869 CB SER B 19 6.092 -9.494 -2.098 1.00 1.00 C ATOM 870 OG SER B 19 6.213 -10.354 -0.975 1.00 1.00 O ATOM 0 H SER B 19 5.178 -7.194 -0.729 1.00 1.00 H new ATOM 0 HA SER B 19 7.777 -8.245 -1.654 1.00 1.00 H new ATOM 0 HB2 SER B 19 5.040 -9.378 -2.359 1.00 1.00 H new ATOM 0 HB3 SER B 19 6.586 -9.944 -2.959 1.00 1.00 H new ATOM 0 HG SER B 19 5.812 -11.223 -1.184 1.00 1.00 H new ATOM 876 N SER B 20 5.463 -6.348 -2.902 1.00 1.00 N ATOM 877 CA SER B 20 5.137 -5.405 -3.959 1.00 1.00 C ATOM 878 C SER B 20 5.720 -4.023 -3.663 1.00 1.00 C ATOM 879 O SER B 20 5.261 -3.325 -2.758 1.00 1.00 O ATOM 880 CB SER B 20 3.620 -5.316 -4.117 1.00 1.00 C ATOM 881 OG SER B 20 3.036 -6.610 -4.107 1.00 1.00 O ATOM 0 H SER B 20 4.842 -6.302 -2.094 1.00 1.00 H new ATOM 0 HA SER B 20 5.578 -5.762 -4.890 1.00 1.00 H new ATOM 0 HB2 SER B 20 3.200 -4.716 -3.309 1.00 1.00 H new ATOM 0 HB3 SER B 20 3.376 -4.809 -5.051 1.00 1.00 H new ATOM 0 HG SER B 20 2.568 -6.751 -3.257 1.00 1.00 H new ATOM 887 N PRO B 21 6.740 -3.606 -4.435 1.00 1.00 N ATOM 888 CA PRO B 21 7.395 -2.306 -4.256 1.00 1.00 C ATOM 889 C PRO B 21 6.500 -1.145 -4.681 1.00 1.00 C ATOM 890 O PRO B 21 6.687 -0.011 -4.247 1.00 1.00 O ATOM 891 CB PRO B 21 8.636 -2.384 -5.161 1.00 1.00 C ATOM 892 CG PRO B 21 8.739 -3.811 -5.591 1.00 1.00 C ATOM 893 CD PRO B 21 7.346 -4.367 -5.533 1.00 1.00 C ATOM 0 HA PRO B 21 7.634 -2.119 -3.209 1.00 1.00 H new ATOM 0 HB2 PRO B 21 8.534 -1.723 -6.022 1.00 1.00 H new ATOM 0 HB3 PRO B 21 9.532 -2.072 -4.624 1.00 1.00 H new ATOM 0 HG2 PRO B 21 9.146 -3.885 -6.599 1.00 1.00 H new ATOM 0 HG3 PRO B 21 9.408 -4.368 -4.935 1.00 1.00 H new ATOM 0 HD2 PRO B 21 6.812 -4.219 -6.471 1.00 1.00 H new ATOM 0 HD3 PRO B 21 7.346 -5.438 -5.332 1.00 1.00 H new ATOM 901 N SER B 22 5.520 -1.442 -5.523 1.00 1.00 N ATOM 902 CA SER B 22 4.591 -0.437 -6.015 1.00 1.00 C ATOM 903 C SER B 22 3.727 0.116 -4.881 1.00 1.00 C ATOM 904 O SER B 22 3.324 1.281 -4.900 1.00 1.00 O ATOM 905 CB SER B 22 3.711 -1.065 -7.095 1.00 1.00 C ATOM 906 OG SER B 22 4.422 -2.082 -7.787 1.00 1.00 O ATOM 0 H SER B 22 5.348 -2.381 -5.882 1.00 1.00 H new ATOM 0 HA SER B 22 5.156 0.396 -6.435 1.00 1.00 H new ATOM 0 HB2 SER B 22 2.813 -1.485 -6.642 1.00 1.00 H new ATOM 0 HB3 SER B 22 3.385 -0.298 -7.798 1.00 1.00 H new ATOM 0 HG SER B 22 3.844 -2.475 -8.474 1.00 1.00 H new ATOM 912 N THR B 23 3.471 -0.718 -3.878 1.00 1.00 N ATOM 913 CA THR B 23 2.644 -0.325 -2.750 1.00 1.00 C ATOM 914 C THR B 23 3.443 0.401 -1.668 1.00 1.00 C ATOM 915 O THR B 23 2.864 0.938 -0.722 1.00 1.00 O ATOM 916 CB THR B 23 1.952 -1.552 -2.137 1.00 1.00 C ATOM 917 OG1 THR B 23 2.361 -2.736 -2.833 1.00 1.00 O ATOM 918 CG2 THR B 23 0.443 -1.413 -2.216 1.00 1.00 C ATOM 0 H THR B 23 3.827 -1.672 -3.827 1.00 1.00 H new ATOM 0 HA THR B 23 1.896 0.368 -3.135 1.00 1.00 H new ATOM 0 HB THR B 23 2.241 -1.624 -1.089 1.00 1.00 H new ATOM 0 HG1 THR B 23 1.702 -3.446 -2.686 1.00 1.00 H new ATOM 0 HG21 THR B 23 -0.027 -2.293 -1.776 1.00 1.00 H new ATOM 0 HG22 THR B 23 0.130 -0.523 -1.669 1.00 1.00 H new ATOM 0 HG23 THR B 23 0.140 -1.323 -3.259 1.00 1.00 H new ATOM 926 N LEU B 24 4.767 0.435 -1.816 1.00 1.00 N ATOM 927 CA LEU B 24 5.632 1.102 -0.840 1.00 1.00 C ATOM 928 C LEU B 24 5.234 2.565 -0.670 1.00 1.00 C ATOM 929 O LEU B 24 5.361 3.129 0.414 1.00 1.00 O ATOM 930 CB LEU B 24 7.098 1.009 -1.264 1.00 1.00 C ATOM 931 CG LEU B 24 7.754 -0.355 -1.048 1.00 1.00 C ATOM 932 CD1 LEU B 24 9.169 -0.354 -1.601 1.00 1.00 C ATOM 933 CD2 LEU B 24 7.759 -0.714 0.429 1.00 1.00 C ATOM 0 H LEU B 24 5.264 0.010 -2.599 1.00 1.00 H new ATOM 0 HA LEU B 24 5.509 0.593 0.116 1.00 1.00 H new ATOM 0 HB2 LEU B 24 7.171 1.266 -2.321 1.00 1.00 H new ATOM 0 HB3 LEU B 24 7.667 1.759 -0.714 1.00 1.00 H new ATOM 0 HG LEU B 24 7.174 -1.108 -1.583 1.00 1.00 H new ATOM 0 HD11 LEU B 24 9.623 -1.332 -1.440 1.00 1.00 H new ATOM 0 HD12 LEU B 24 9.142 -0.138 -2.669 1.00 1.00 H new ATOM 0 HD13 LEU B 24 9.758 0.408 -1.091 1.00 1.00 H new ATOM 0 HD21 LEU B 24 8.229 -1.688 0.565 1.00 1.00 H new ATOM 0 HD22 LEU B 24 8.317 0.040 0.985 1.00 1.00 H new ATOM 0 HD23 LEU B 24 6.734 -0.752 0.798 1.00 1.00 H new ATOM 945 N GLU B 25 4.730 3.155 -1.749 1.00 1.00 N ATOM 946 CA GLU B 25 4.294 4.549 -1.755 1.00 1.00 C ATOM 947 C GLU B 25 3.206 4.793 -0.705 1.00 1.00 C ATOM 948 O GLU B 25 3.129 5.869 -0.109 1.00 1.00 O ATOM 949 CB GLU B 25 3.774 4.902 -3.150 1.00 1.00 C ATOM 950 CG GLU B 25 3.237 6.314 -3.278 1.00 1.00 C ATOM 951 CD GLU B 25 2.758 6.614 -4.678 1.00 1.00 C ATOM 952 OE1 GLU B 25 1.668 6.129 -5.053 1.00 1.00 O ATOM 953 OE2 GLU B 25 3.465 7.331 -5.411 1.00 1.00 O ATOM 0 H GLU B 25 4.612 2.681 -2.644 1.00 1.00 H new ATOM 0 HA GLU B 25 5.142 5.186 -1.504 1.00 1.00 H new ATOM 0 HB2 GLU B 25 4.581 4.766 -3.871 1.00 1.00 H new ATOM 0 HB3 GLU B 25 2.985 4.200 -3.419 1.00 1.00 H new ATOM 0 HG2 GLU B 25 2.415 6.454 -2.576 1.00 1.00 H new ATOM 0 HG3 GLU B 25 4.016 7.024 -3.002 1.00 1.00 H new ATOM 960 N ALA B 26 2.380 3.783 -0.479 1.00 1.00 N ATOM 961 CA ALA B 26 1.301 3.874 0.494 1.00 1.00 C ATOM 962 C ALA B 26 1.762 3.368 1.855 1.00 1.00 C ATOM 963 O ALA B 26 1.362 3.898 2.892 1.00 1.00 O ATOM 964 CB ALA B 26 0.089 3.095 0.010 1.00 1.00 C ATOM 0 H ALA B 26 2.437 2.885 -0.959 1.00 1.00 H new ATOM 0 HA ALA B 26 1.017 4.921 0.602 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -0.711 3.171 0.747 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.252 3.506 -0.940 1.00 1.00 H new ATOM 0 HB3 ALA B 26 0.360 2.048 -0.125 1.00 1.00 H new ATOM 970 N HIS B 27 2.609 2.342 1.851 1.00 1.00 N ATOM 971 CA HIS B 27 3.124 1.781 3.094 1.00 1.00 C ATOM 972 C HIS B 27 3.936 2.823 3.855 1.00 1.00 C ATOM 973 O HIS B 27 3.766 2.985 5.058 1.00 1.00 O ATOM 974 CB HIS B 27 3.980 0.535 2.823 1.00 1.00 C ATOM 975 CG HIS B 27 4.513 -0.117 4.072 1.00 1.00 C ATOM 976 ND1 HIS B 27 4.047 -1.308 4.587 1.00 1.00 N ATOM 977 CD2 HIS B 27 5.485 0.302 4.926 1.00 1.00 C ATOM 978 CE1 HIS B 27 4.737 -1.566 5.712 1.00 1.00 C ATOM 979 NE2 HIS B 27 5.620 -0.617 5.959 1.00 1.00 N ATOM 0 H HIS B 27 2.951 1.885 1.005 1.00 1.00 H new ATOM 0 HA HIS B 27 2.273 1.484 3.706 1.00 1.00 H new ATOM 0 HB2 HIS B 27 3.384 -0.191 2.271 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.817 0.813 2.183 1.00 1.00 H new ATOM 0 HD1 HIS B 27 3.311 -1.889 4.186 1.00 1.00 H new ATOM 0 HD2 HIS B 27 6.062 1.208 4.818 1.00 1.00 H new ATOM 0 HE1 HIS B 27 4.588 -2.437 6.333 1.00 1.00 H new ATOM 987 N GLN B 28 4.792 3.545 3.144 1.00 1.00 N ATOM 988 CA GLN B 28 5.640 4.566 3.759 1.00 1.00 C ATOM 989 C GLN B 28 4.830 5.795 4.176 1.00 1.00 C ATOM 990 O GLN B 28 5.388 6.790 4.639 1.00 1.00 O ATOM 991 CB GLN B 28 6.749 4.984 2.791 1.00 1.00 C ATOM 992 CG GLN B 28 7.794 3.907 2.555 1.00 1.00 C ATOM 993 CD GLN B 28 9.117 4.213 3.229 1.00 1.00 C ATOM 994 OE1 GLN B 28 10.006 4.825 2.635 1.00 1.00 O ATOM 995 NE2 GLN B 28 9.258 3.796 4.473 1.00 1.00 N ATOM 0 H GLN B 28 4.920 3.444 2.137 1.00 1.00 H new ATOM 0 HA GLN B 28 6.082 4.131 4.656 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.301 5.258 1.836 1.00 1.00 H new ATOM 0 HB3 GLN B 28 7.241 5.876 3.180 1.00 1.00 H new ATOM 0 HG2 GLN B 28 7.416 2.954 2.924 1.00 1.00 H new ATOM 0 HG3 GLN B 28 7.956 3.793 1.483 1.00 1.00 H new ATOM 0 HE21 GLN B 28 8.499 3.292 4.931 1.00 1.00 H new ATOM 0 HE22 GLN B 28 10.126 3.978 4.976 1.00 1.00 H new ATOM 1004 N ALA B 29 3.518 5.729 4.007 1.00 1.00 N ATOM 1005 CA ALA B 29 2.656 6.838 4.364 1.00 1.00 C ATOM 1006 C ALA B 29 1.701 6.468 5.492 1.00 1.00 C ATOM 1007 O ALA B 29 1.548 7.209 6.460 1.00 1.00 O ATOM 1008 CB ALA B 29 1.874 7.302 3.145 1.00 1.00 C ATOM 0 H ALA B 29 3.030 4.919 3.625 1.00 1.00 H new ATOM 0 HA ALA B 29 3.288 7.652 4.720 1.00 1.00 H new ATOM 0 HB1 ALA B 29 1.229 8.136 3.422 1.00 1.00 H new ATOM 0 HB2 ALA B 29 2.568 7.623 2.368 1.00 1.00 H new ATOM 0 HB3 ALA B 29 1.264 6.480 2.770 1.00 1.00 H new ATOM 1014 N TYR B 30 1.063 5.314 5.370 1.00 1.00 N ATOM 1015 CA TYR B 30 0.095 4.878 6.367 1.00 1.00 C ATOM 1016 C TYR B 30 0.700 3.925 7.394 1.00 1.00 C ATOM 1017 O TYR B 30 0.189 3.809 8.508 1.00 1.00 O ATOM 1018 CB TYR B 30 -1.097 4.217 5.681 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.818 5.119 4.699 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -2.844 5.957 5.119 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -1.475 5.127 3.353 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -3.507 6.777 4.223 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -2.132 5.942 2.453 1.00 1.00 C ATOM 1024 CZ TYR B 30 -3.147 6.765 2.890 1.00 1.00 C ATOM 1025 OH TYR B 30 -3.800 7.580 1.991 1.00 1.00 O ATOM 0 H TYR B 30 1.196 4.665 4.595 1.00 1.00 H new ATOM 0 HA TYR B 30 -0.233 5.766 6.907 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -0.753 3.326 5.156 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.804 3.886 6.442 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -3.128 5.968 6.161 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -0.680 4.484 3.004 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -4.302 7.423 4.565 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -1.851 5.935 1.410 1.00 1.00 H new ATOM 0 HH TYR B 30 -3.212 7.762 1.228 1.00 1.00 H new ATOM 1035 N TYR B 31 1.774 3.238 7.031 1.00 1.00 N ATOM 1036 CA TYR B 31 2.410 2.302 7.952 1.00 1.00 C ATOM 1037 C TYR B 31 3.698 2.893 8.512 1.00 1.00 C ATOM 1038 O TYR B 31 3.866 2.981 9.730 1.00 1.00 O ATOM 1039 CB TYR B 31 2.686 0.962 7.269 1.00 1.00 C ATOM 1040 CG TYR B 31 2.094 -0.222 8.005 1.00 1.00 C ATOM 1041 CD1 TYR B 31 2.460 -0.502 9.314 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.163 -1.053 7.395 1.00 1.00 C ATOM 1043 CE1 TYR B 31 1.917 -1.576 9.994 1.00 1.00 C ATOM 1044 CE2 TYR B 31 0.613 -2.128 8.070 1.00 1.00 C ATOM 1045 CZ TYR B 31 0.994 -2.385 9.371 1.00 1.00 C ATOM 1046 OH TYR B 31 0.453 -3.455 10.053 1.00 1.00 O ATOM 0 H TYR B 31 2.220 3.308 6.117 1.00 1.00 H new ATOM 0 HA TYR B 31 1.723 2.124 8.779 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.283 0.989 6.256 1.00 1.00 H new ATOM 0 HB3 TYR B 31 3.763 0.823 7.180 1.00 1.00 H new ATOM 0 HD1 TYR B 31 3.182 0.130 9.810 1.00 1.00 H new ATOM 0 HD2 TYR B 31 0.863 -0.856 6.376 1.00 1.00 H new ATOM 0 HE1 TYR B 31 2.216 -1.780 11.012 1.00 1.00 H new ATOM 0 HE2 TYR B 31 -0.111 -2.763 7.581 1.00 1.00 H new ATOM 0 HH TYR B 31 -0.218 -3.896 9.491 1.00 1.00 H new ATOM 1056 N CYS B 32 4.612 3.279 7.627 1.00 1.00 N ATOM 1057 CA CYS B 32 5.863 3.880 8.050 1.00 1.00 C ATOM 1058 C CYS B 32 5.585 5.270 8.607 1.00 1.00 C ATOM 1059 O CYS B 32 5.256 6.194 7.857 1.00 1.00 O ATOM 1060 CB CYS B 32 6.851 3.974 6.888 1.00 1.00 C ATOM 1061 SG CYS B 32 7.374 2.372 6.195 1.00 1.00 S ATOM 0 H CYS B 32 4.506 3.185 6.617 1.00 1.00 H new ATOM 0 HA CYS B 32 6.310 3.251 8.820 1.00 1.00 H new ATOM 0 HB2 CYS B 32 6.399 4.567 6.093 1.00 1.00 H new ATOM 0 HB3 CYS B 32 7.736 4.514 7.225 1.00 1.00 H new ATOM 1066 N SER B 33 5.725 5.404 9.919 1.00 1.00 N ATOM 1067 CA SER B 33 5.473 6.660 10.607 1.00 1.00 C ATOM 1068 C SER B 33 4.000 7.063 10.451 1.00 1.00 C ATOM 1069 O SER B 33 3.113 6.219 10.593 1.00 1.00 O ATOM 1070 CB SER B 33 6.423 7.739 10.082 1.00 1.00 C ATOM 1071 OG SER B 33 7.742 7.220 9.952 1.00 1.00 O ATOM 0 H SER B 33 6.016 4.645 10.535 1.00 1.00 H new ATOM 0 HA SER B 33 5.665 6.539 11.673 1.00 1.00 H new ATOM 0 HB2 SER B 33 6.072 8.103 9.116 1.00 1.00 H new ATOM 0 HB3 SER B 33 6.426 8.591 10.762 1.00 1.00 H new ATOM 0 HG SER B 33 8.337 7.921 9.614 1.00 1.00 H new ATOM 1077 N HIS B 34 3.730 8.334 10.171 1.00 1.00 N ATOM 1078 CA HIS B 34 2.355 8.798 10.012 1.00 1.00 C ATOM 1079 C HIS B 34 2.263 9.855 8.922 1.00 1.00 C ATOM 1080 O HIS B 34 3.228 10.577 8.664 1.00 1.00 O ATOM 1081 CB HIS B 34 1.821 9.366 11.330 1.00 1.00 C ATOM 1082 CG HIS B 34 1.315 8.321 12.280 1.00 1.00 C ATOM 1083 ND1 HIS B 34 1.555 8.357 13.636 1.00 1.00 N ATOM 1084 CD2 HIS B 34 0.579 7.204 12.064 1.00 1.00 C ATOM 1085 CE1 HIS B 34 0.995 7.311 14.210 1.00 1.00 C ATOM 1086 NE2 HIS B 34 0.394 6.596 13.280 1.00 1.00 N ATOM 0 H HIS B 34 4.439 9.057 10.050 1.00 1.00 H new ATOM 0 HA HIS B 34 1.745 7.942 9.722 1.00 1.00 H new ATOM 0 HB2 HIS B 34 2.614 9.933 11.818 1.00 1.00 H new ATOM 0 HB3 HIS B 34 1.015 10.067 11.113 1.00 1.00 H new ATOM 0 HD2 HIS B 34 0.207 6.857 11.111 1.00 1.00 H new ATOM 0 HE1 HIS B 34 1.024 7.079 15.264 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -0.124 5.732 13.438 1.00 1.00 H new ATOM 1095 N ARG B 35 1.101 9.934 8.284 1.00 1.00 N ATOM 1096 CA ARG B 35 0.863 10.904 7.221 1.00 1.00 C ATOM 1097 C ARG B 35 -0.576 11.410 7.290 1.00 1.00 C ATOM 1098 O ARG B 35 -1.458 10.721 7.805 1.00 1.00 O ATOM 1099 CB ARG B 35 1.125 10.270 5.851 1.00 1.00 C ATOM 1100 CG ARG B 35 1.416 11.276 4.748 1.00 1.00 C ATOM 1101 CD ARG B 35 0.866 10.814 3.406 1.00 1.00 C ATOM 1102 NE ARG B 35 -0.595 10.794 3.405 1.00 1.00 N ATOM 1103 CZ ARG B 35 -1.347 10.055 2.594 1.00 1.00 C ATOM 1104 NH1 ARG B 35 -0.799 9.364 1.603 1.00 1.00 N ATOM 1105 NH2 ARG B 35 -2.663 10.055 2.753 1.00 1.00 N ATOM 0 H ARG B 35 0.303 9.332 8.487 1.00 1.00 H new ATOM 0 HA ARG B 35 1.546 11.743 7.356 1.00 1.00 H new ATOM 0 HB2 ARG B 35 1.968 9.585 5.935 1.00 1.00 H new ATOM 0 HB3 ARG B 35 0.258 9.675 5.566 1.00 1.00 H new ATOM 0 HG2 ARG B 35 0.978 12.239 5.009 1.00 1.00 H new ATOM 0 HG3 ARG B 35 2.493 11.427 4.668 1.00 1.00 H new ATOM 0 HD2 ARG B 35 1.222 11.477 2.618 1.00 1.00 H new ATOM 0 HD3 ARG B 35 1.245 9.817 3.180 1.00 1.00 H new ATOM 0 HE ARG B 35 -1.075 11.392 4.077 1.00 1.00 H new ATOM 0 HH11 ARG B 35 0.210 9.396 1.456 1.00 1.00 H new ATOM 0 HH12 ARG B 35 -1.387 8.801 0.988 1.00 1.00 H new ATOM 0 HH21 ARG B 35 -3.088 10.617 3.491 1.00 1.00 H new ATOM 0 HH22 ARG B 35 -3.251 9.493 2.138 1.00 1.00 H new ATOM 1119 N ILE B 36 -0.808 12.611 6.780 1.00 1.00 N ATOM 1120 CA ILE B 36 -2.144 13.198 6.780 1.00 1.00 C ATOM 1121 C ILE B 36 -2.980 12.630 5.642 1.00 1.00 C ATOM 1122 O ILE B 36 -2.385 12.167 4.651 1.00 1.00 O ATOM 1123 CB ILE B 36 -2.094 14.734 6.651 1.00 1.00 C ATOM 1124 CG1 ILE B 36 -1.079 15.146 5.579 1.00 1.00 C ATOM 1125 CG2 ILE B 36 -1.755 15.368 7.992 1.00 1.00 C ATOM 1126 CD1 ILE B 36 -0.882 16.641 5.461 1.00 1.00 C ATOM 1127 OXT ILE B 36 -4.222 12.654 5.739 1.00 1.00 O ATOM 0 H ILE B 36 -0.089 13.200 6.360 1.00 1.00 H new ATOM 0 HA ILE B 36 -2.602 12.944 7.736 1.00 1.00 H new ATOM 0 HB ILE B 36 -3.077 15.092 6.345 1.00 1.00 H new ATOM 0 HG12 ILE B 36 -0.120 14.680 5.803 1.00 1.00 H new ATOM 0 HG13 ILE B 36 -1.405 14.756 4.615 1.00 1.00 H new ATOM 0 HG21 ILE B 36 -1.723 16.452 7.884 1.00 1.00 H new ATOM 0 HG22 ILE B 36 -2.516 15.098 8.725 1.00 1.00 H new ATOM 0 HG23 ILE B 36 -0.783 15.008 8.329 1.00 1.00 H new ATOM 0 HD11 ILE B 36 -0.149 16.851 4.682 1.00 1.00 H new ATOM 0 HD12 ILE B 36 -1.830 17.114 5.205 1.00 1.00 H new ATOM 0 HD13 ILE B 36 -0.524 17.037 6.411 1.00 1.00 H new TER 1139 ILE B 36 HETATM 1140 ZN ZN A 244 -5.881 -2.358 4.739 1.00 1.00 ZN HETATM 1141 ZN ZN B 37 7.031 0.261 6.956 1.00 1.00 ZN