USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 532 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 11 CYS SG : rot -148:sc= 0.926 USER MOD Set 1.2: B 14 CYS SG : rot -100:sc= -1.46! USER MOD Set 1.3: B 27 HIS :FLIP no HE2:sc= -3.5 F(o=-3.6!,f=-1.4) USER MOD Set 1.4: B 28 GLN : amide:sc= 1.24 K(o=-1.4,f=-4.1) USER MOD Set 1.5: B 32 CYS SG : rot -88:sc= 1.37 USER MOD Set 2.1: A 237 GLN : amide:sc= 1.34 K(o=3.6,f=2) USER MOD Set 2.2: B 30 TYR OH : rot -11:sc= 2.22 USER MOD Set 3.1: A 231 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 235 ASN : amide:sc= -0.416 K(o=-0.42,f=-1.7) USER MOD Set 4.1: A 204 CYS SG : rot -146:sc= 0.334! USER MOD Set 4.2: A 207 CYS SG : rot -78:sc= 1.54 USER MOD Set 4.3: A 225 CYS SG : rot -84:sc= 1.96 USER MOD Set 4.4: A 228 CYS SG : rot 70:sc= 3.33 USER MOD Set 5.1: A 220 THR OG1 : rot -2:sc= 0.995 USER MOD Set 5.2: A 222 HIS : no HD1:sc= -0.895 K(o=-0.37,f=-6.6!) USER MOD Set 5.3: A 232 HIS : no HD1:sc= -1.49! C(o=-0.37!,f=-6.4!) USER MOD Set 5.4: A 238 ASN : amide:sc= 1.02 K(o=-0.37,f=-8!) USER MOD Single : A 206 ASN :FLIP amide:sc= -0.507 F(o=-1.5,f=-0.51) USER MOD Single : A 210 THR OG1 : rot -32:sc= 0.908 USER MOD Single : A 212 THR OG1 : rot -114:sc= 0.777 USER MOD Single : A 223 TYR OH : rot 180:sc= 1.04 USER MOD Single : A 226 ASN : amide:sc= 0 K(o=0,f=-0.62) 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+ -127:sc= 0.0777 (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= -0.0595 USER MOD Single : B 20 SER OG : rot 112:sc= 1.25 USER MOD Single : B 22 SER OG : rot 180:sc= 0.0142 USER MOD Single : B 23 THR OG1 : rot 48:sc= -1.47! USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 1.316 14.787 -2.100 1.00 1.00 N ATOM 2 CA GLU A 200 0.297 13.729 -1.922 1.00 1.00 C ATOM 3 C GLU A 200 -0.203 13.714 -0.483 1.00 1.00 C ATOM 4 O GLU A 200 0.576 13.908 0.449 1.00 1.00 O ATOM 5 CB GLU A 200 0.891 12.358 -2.263 1.00 1.00 C ATOM 6 CG GLU A 200 1.803 12.365 -3.481 1.00 1.00 C ATOM 7 CD GLU A 200 1.099 12.836 -4.737 1.00 1.00 C ATOM 8 OE1 GLU A 200 0.823 14.049 -4.849 1.00 1.00 O ATOM 9 OE2 GLU A 200 0.819 11.996 -5.615 1.00 1.00 O ATOM 0 HA GLU A 200 -0.536 13.940 -2.592 1.00 1.00 H new ATOM 0 HB2 GLU A 200 1.453 11.993 -1.403 1.00 1.00 H new ATOM 0 HB3 GLU A 200 0.077 11.653 -2.435 1.00 1.00 H new ATOM 0 HG2 GLU A 200 2.659 13.011 -3.285 1.00 1.00 H new ATOM 0 HG3 GLU A 200 2.193 11.360 -3.643 1.00 1.00 H new ATOM 16 N ALA A 201 -1.498 13.489 -0.299 1.00 1.00 N ATOM 17 CA ALA A 201 -2.071 13.434 1.039 1.00 1.00 C ATOM 18 C ALA A 201 -1.587 12.173 1.742 1.00 1.00 C ATOM 19 O ALA A 201 -1.161 12.205 2.896 1.00 1.00 O ATOM 20 CB ALA A 201 -3.593 13.465 0.975 1.00 1.00 C ATOM 0 H ALA A 201 -2.167 13.343 -1.055 1.00 1.00 H new ATOM 0 HA ALA A 201 -1.745 14.307 1.605 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -4.001 13.423 1.985 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -3.918 14.386 0.490 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -3.951 12.608 0.404 1.00 1.00 H new ATOM 26 N ARG A 202 -1.633 11.069 1.014 1.00 1.00 N ATOM 27 CA ARG A 202 -1.192 9.782 1.520 1.00 1.00 C ATOM 28 C ARG A 202 -1.030 8.829 0.349 1.00 1.00 C ATOM 29 O ARG A 202 -1.436 9.153 -0.768 1.00 1.00 O ATOM 30 CB ARG A 202 -2.196 9.224 2.533 1.00 1.00 C ATOM 31 CG ARG A 202 -1.566 8.322 3.583 1.00 1.00 C ATOM 32 CD ARG A 202 -1.038 9.115 4.773 1.00 1.00 C ATOM 33 NE ARG A 202 -0.108 10.179 4.382 1.00 1.00 N ATOM 34 CZ ARG A 202 1.194 10.181 4.667 1.00 1.00 C ATOM 35 NH1 ARG A 202 1.732 9.183 5.355 1.00 1.00 N ATOM 36 NH2 ARG A 202 1.958 11.190 4.265 1.00 1.00 N ATOM 0 H ARG A 202 -1.978 11.041 0.054 1.00 1.00 H new ATOM 0 HA ARG A 202 -0.238 9.900 2.033 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -2.695 10.055 3.032 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.964 8.664 2.000 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -2.303 7.597 3.928 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -0.750 7.757 3.133 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -1.878 9.553 5.312 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -0.536 8.436 5.462 1.00 1.00 H new ATOM 0 HE ARG A 202 -0.482 10.970 3.857 1.00 1.00 H new ATOM 0 HH11 ARG A 202 1.149 8.408 5.669 1.00 1.00 H new ATOM 0 HH12 ARG A 202 2.729 9.191 5.570 1.00 1.00 H new ATOM 0 HH21 ARG A 202 1.548 11.962 3.739 1.00 1.00 H new ATOM 0 HH22 ARG A 202 2.955 11.193 4.482 1.00 1.00 H new ATOM 50 N GLU A 203 -0.427 7.679 0.591 1.00 1.00 N ATOM 51 CA GLU A 203 -0.229 6.701 -0.463 1.00 1.00 C ATOM 52 C GLU A 203 -1.273 5.598 -0.356 1.00 1.00 C ATOM 53 O GLU A 203 -1.974 5.495 0.652 1.00 1.00 O ATOM 54 CB GLU A 203 1.177 6.098 -0.395 1.00 1.00 C ATOM 55 CG GLU A 203 2.146 6.867 0.492 1.00 1.00 C ATOM 56 CD GLU A 203 2.237 6.290 1.890 1.00 1.00 C ATOM 57 OE1 GLU A 203 3.028 5.346 2.093 1.00 1.00 O ATOM 58 OE2 GLU A 203 1.522 6.778 2.794 1.00 1.00 O ATOM 0 H GLU A 203 -0.067 7.400 1.504 1.00 1.00 H new ATOM 0 HA GLU A 203 -0.338 7.208 -1.422 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.103 5.074 -0.030 1.00 1.00 H new ATOM 0 HB3 GLU A 203 1.587 6.048 -1.404 1.00 1.00 H new ATOM 0 HG2 GLU A 203 3.135 6.860 0.035 1.00 1.00 H new ATOM 0 HG3 GLU A 203 1.830 7.908 0.552 1.00 1.00 H new ATOM 65 N CYS A 204 -1.377 4.787 -1.401 1.00 1.00 N ATOM 66 CA CYS A 204 -2.329 3.688 -1.424 1.00 1.00 C ATOM 67 C CYS A 204 -1.593 2.363 -1.271 1.00 1.00 C ATOM 68 O CYS A 204 -0.377 2.331 -1.086 1.00 1.00 O ATOM 69 CB CYS A 204 -3.134 3.704 -2.734 1.00 1.00 C ATOM 70 SG CYS A 204 -4.496 2.492 -2.827 1.00 1.00 S ATOM 0 H CYS A 204 -0.811 4.872 -2.245 1.00 1.00 H new ATOM 0 HA CYS A 204 -3.024 3.805 -0.592 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -3.548 4.703 -2.875 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -2.451 3.522 -3.563 1.00 1.00 H new ATOM 0 HG CYS A 204 -4.628 2.081 -4.053 1.00 1.00 H new ATOM 75 N VAL A 205 -2.333 1.277 -1.365 1.00 1.00 N ATOM 76 CA VAL A 205 -1.763 -0.050 -1.242 1.00 1.00 C ATOM 77 C VAL A 205 -1.593 -0.687 -2.609 1.00 1.00 C ATOM 78 O VAL A 205 -1.112 -1.810 -2.723 1.00 1.00 O ATOM 79 CB VAL A 205 -2.642 -0.975 -0.383 1.00 1.00 C ATOM 80 CG1 VAL A 205 -2.691 -0.487 1.054 1.00 1.00 C ATOM 81 CG2 VAL A 205 -4.040 -1.082 -0.977 1.00 1.00 C ATOM 0 H VAL A 205 -3.340 1.288 -1.528 1.00 1.00 H new ATOM 0 HA VAL A 205 -0.794 0.070 -0.757 1.00 1.00 H new ATOM 0 HB VAL A 205 -2.199 -1.971 -0.381 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -3.318 -1.155 1.644 1.00 1.00 H new ATOM 0 HG12 VAL A 205 -1.683 -0.475 1.469 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -3.107 0.520 1.082 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -4.649 -1.740 -0.357 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -4.496 -0.093 -1.014 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -3.976 -1.490 -1.986 1.00 1.00 H new ATOM 91 N ASN A 206 -2.005 0.019 -3.648 1.00 1.00 N ATOM 92 CA ASN A 206 -1.891 -0.512 -4.994 1.00 1.00 C ATOM 93 C ASN A 206 -1.506 0.564 -6.000 1.00 1.00 C ATOM 94 O ASN A 206 -0.337 0.669 -6.379 1.00 1.00 O ATOM 95 CB ASN A 206 -3.200 -1.182 -5.413 1.00 1.00 C ATOM 96 CG ASN A 206 -3.093 -2.692 -5.477 1.00 1.00 C ATOM 97 OD1 ASN A 206 -3.329 -3.352 -4.353 1.00 1.00 O flip ATOM 98 ND2 ASN A 206 -2.800 -3.261 -6.526 1.00 1.00 N flip ATOM 0 H ASN A 206 -2.417 0.950 -3.587 1.00 1.00 H new ATOM 0 HA ASN A 206 -1.093 -1.254 -4.985 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -3.985 -0.908 -4.708 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -3.501 -0.802 -6.389 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -2.626 -2.716 -7.370 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -2.731 -4.278 -6.552 1.00 1.00 H new ATOM 105 N CYS A 207 -2.482 1.370 -6.416 1.00 1.00 N ATOM 106 CA CYS A 207 -2.244 2.414 -7.405 1.00 1.00 C ATOM 107 C CYS A 207 -1.319 3.501 -6.870 1.00 1.00 C ATOM 108 O CYS A 207 -0.438 3.989 -7.580 1.00 1.00 O ATOM 109 CB CYS A 207 -3.574 3.026 -7.857 1.00 1.00 C ATOM 110 SG CYS A 207 -4.506 3.884 -6.543 1.00 1.00 S ATOM 0 H CYS A 207 -3.444 1.318 -6.082 1.00 1.00 H new ATOM 0 HA CYS A 207 -1.750 1.953 -8.260 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -3.378 3.732 -8.664 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -4.200 2.235 -8.270 1.00 1.00 H new ATOM 0 HG CYS A 207 -5.115 3.008 -5.800 1.00 1.00 H new ATOM 115 N GLY A 208 -1.534 3.885 -5.623 1.00 1.00 N ATOM 116 CA GLY A 208 -0.724 4.917 -5.016 1.00 1.00 C ATOM 117 C GLY A 208 -1.241 6.302 -5.347 1.00 1.00 C ATOM 118 O GLY A 208 -0.581 7.305 -5.065 1.00 1.00 O ATOM 0 H GLY A 208 -2.258 3.498 -5.018 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -0.713 4.782 -3.934 1.00 1.00 H new ATOM 0 HA3 GLY A 208 0.306 4.821 -5.360 1.00 1.00 H new ATOM 122 N ALA A 209 -2.419 6.356 -5.956 1.00 1.00 N ATOM 123 CA ALA A 209 -3.033 7.622 -6.322 1.00 1.00 C ATOM 124 C ALA A 209 -3.633 8.289 -5.093 1.00 1.00 C ATOM 125 O ALA A 209 -4.456 7.696 -4.395 1.00 1.00 O ATOM 126 CB ALA A 209 -4.100 7.410 -7.389 1.00 1.00 C ATOM 0 H ALA A 209 -2.968 5.534 -6.207 1.00 1.00 H new ATOM 0 HA ALA A 209 -2.264 8.276 -6.733 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -4.549 8.368 -7.650 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -3.645 6.968 -8.276 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -4.871 6.741 -7.005 1.00 1.00 H new ATOM 132 N THR A 210 -3.223 9.519 -4.834 1.00 1.00 N ATOM 133 CA THR A 210 -3.719 10.254 -3.684 1.00 1.00 C ATOM 134 C THR A 210 -5.042 10.936 -4.017 1.00 1.00 C ATOM 135 O THR A 210 -5.687 11.528 -3.147 1.00 1.00 O ATOM 136 CB THR A 210 -2.692 11.301 -3.193 1.00 1.00 C ATOM 137 OG1 THR A 210 -3.134 11.888 -1.962 1.00 1.00 O ATOM 138 CG2 THR A 210 -2.481 12.394 -4.229 1.00 1.00 C ATOM 0 H THR A 210 -2.548 10.029 -5.404 1.00 1.00 H new ATOM 0 HA THR A 210 -3.879 9.536 -2.879 1.00 1.00 H new ATOM 0 HB THR A 210 -1.744 10.788 -3.034 1.00 1.00 H new ATOM 0 HG1 THR A 210 -4.113 11.927 -1.951 1.00 1.00 H new ATOM 0 HG21 THR A 210 -1.754 13.115 -3.855 1.00 1.00 H new ATOM 0 HG22 THR A 210 -2.111 11.952 -5.154 1.00 1.00 H new ATOM 0 HG23 THR A 210 -3.427 12.900 -4.422 1.00 1.00 H new ATOM 146 N ALA A 211 -5.432 10.856 -5.282 1.00 1.00 N ATOM 147 CA ALA A 211 -6.679 11.446 -5.743 1.00 1.00 C ATOM 148 C ALA A 211 -7.863 10.621 -5.258 1.00 1.00 C ATOM 149 O ALA A 211 -8.246 9.632 -5.884 1.00 1.00 O ATOM 150 CB ALA A 211 -6.691 11.554 -7.263 1.00 1.00 C ATOM 0 H ALA A 211 -4.897 10.384 -6.011 1.00 1.00 H new ATOM 0 HA ALA A 211 -6.761 12.451 -5.328 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -7.632 11.998 -7.589 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -5.862 12.181 -7.590 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -6.588 10.560 -7.699 1.00 1.00 H new ATOM 156 N THR A 212 -8.423 11.016 -4.129 1.00 1.00 N ATOM 157 CA THR A 212 -9.556 10.322 -3.559 1.00 1.00 C ATOM 158 C THR A 212 -10.254 11.226 -2.545 1.00 1.00 C ATOM 159 O THR A 212 -9.600 11.931 -1.776 1.00 1.00 O ATOM 160 CB THR A 212 -9.126 8.986 -2.900 1.00 1.00 C ATOM 161 OG1 THR A 212 -10.277 8.209 -2.538 1.00 1.00 O ATOM 162 CG2 THR A 212 -8.267 9.219 -1.668 1.00 1.00 C ATOM 0 H THR A 212 -8.106 11.820 -3.588 1.00 1.00 H new ATOM 0 HA THR A 212 -10.253 10.079 -4.361 1.00 1.00 H new ATOM 0 HB THR A 212 -8.534 8.441 -3.635 1.00 1.00 H new ATOM 0 HG1 THR A 212 -10.328 8.134 -1.562 1.00 1.00 H new ATOM 0 HG21 THR A 212 -7.985 8.260 -1.234 1.00 1.00 H new ATOM 0 HG22 THR A 212 -7.368 9.768 -1.950 1.00 1.00 H new ATOM 0 HG23 THR A 212 -8.830 9.797 -0.936 1.00 1.00 H new ATOM 170 N PRO A 213 -11.594 11.244 -2.558 1.00 1.00 N ATOM 171 CA PRO A 213 -12.382 12.066 -1.638 1.00 1.00 C ATOM 172 C PRO A 213 -12.381 11.518 -0.215 1.00 1.00 C ATOM 173 O PRO A 213 -12.735 12.223 0.731 1.00 1.00 O ATOM 174 CB PRO A 213 -13.789 12.011 -2.231 1.00 1.00 C ATOM 175 CG PRO A 213 -13.837 10.726 -2.980 1.00 1.00 C ATOM 176 CD PRO A 213 -12.443 10.483 -3.492 1.00 1.00 C ATOM 0 HA PRO A 213 -11.979 13.075 -1.550 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -14.549 12.042 -1.450 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -13.974 12.860 -2.890 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -14.161 9.911 -2.333 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -14.549 10.782 -3.803 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -12.193 9.422 -3.487 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -12.326 10.834 -4.517 1.00 1.00 H new ATOM 184 N LEU A 214 -11.967 10.264 -0.065 1.00 1.00 N ATOM 185 CA LEU A 214 -11.928 9.626 1.241 1.00 1.00 C ATOM 186 C LEU A 214 -10.898 8.503 1.264 1.00 1.00 C ATOM 187 O LEU A 214 -10.681 7.829 0.256 1.00 1.00 O ATOM 188 CB LEU A 214 -13.315 9.077 1.603 1.00 1.00 C ATOM 189 CG LEU A 214 -13.434 8.443 2.992 1.00 1.00 C ATOM 190 CD1 LEU A 214 -13.043 9.439 4.074 1.00 1.00 C ATOM 191 CD2 LEU A 214 -14.850 7.931 3.216 1.00 1.00 C ATOM 0 H LEU A 214 -11.654 9.671 -0.834 1.00 1.00 H new ATOM 0 HA LEU A 214 -11.638 10.374 1.979 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -14.038 9.890 1.531 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -13.597 8.333 0.858 1.00 1.00 H new ATOM 0 HG LEU A 214 -12.747 7.599 3.048 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -13.135 8.968 5.053 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -12.012 9.758 3.920 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -13.702 10.306 4.026 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -14.922 7.482 4.207 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -15.553 8.761 3.141 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -15.090 7.183 2.461 1.00 1.00 H new ATOM 203 N TRP A 215 -10.257 8.326 2.410 1.00 1.00 N ATOM 204 CA TRP A 215 -9.262 7.279 2.587 1.00 1.00 C ATOM 205 C TRP A 215 -9.837 6.171 3.457 1.00 1.00 C ATOM 206 O TRP A 215 -10.347 6.431 4.548 1.00 1.00 O ATOM 207 CB TRP A 215 -7.993 7.836 3.238 1.00 1.00 C ATOM 208 CG TRP A 215 -7.110 8.592 2.294 1.00 1.00 C ATOM 209 CD1 TRP A 215 -6.941 9.945 2.236 1.00 1.00 C ATOM 210 CD2 TRP A 215 -6.264 8.038 1.278 1.00 1.00 C ATOM 211 NE1 TRP A 215 -6.047 10.267 1.245 1.00 1.00 N ATOM 212 CE2 TRP A 215 -5.618 9.114 0.642 1.00 1.00 C ATOM 213 CE3 TRP A 215 -5.992 6.739 0.844 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -4.718 8.929 -0.403 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -5.099 6.557 -0.194 1.00 1.00 C ATOM 216 CH2 TRP A 215 -4.471 7.646 -0.806 1.00 1.00 C ATOM 0 H TRP A 215 -10.411 8.900 3.239 1.00 1.00 H new ATOM 0 HA TRP A 215 -9.001 6.881 1.606 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -8.276 8.493 4.060 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -7.426 7.011 3.670 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -7.438 10.659 2.876 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -5.750 11.211 0.998 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -6.471 5.892 1.312 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -4.232 9.768 -0.878 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -4.882 5.557 -0.539 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -3.776 7.470 -1.614 1.00 1.00 H new ATOM 227 N ARG A 216 -9.768 4.944 2.973 1.00 1.00 N ATOM 228 CA ARG A 216 -10.282 3.807 3.718 1.00 1.00 C ATOM 229 C ARG A 216 -9.189 3.209 4.589 1.00 1.00 C ATOM 230 O ARG A 216 -8.089 2.930 4.113 1.00 1.00 O ATOM 231 CB ARG A 216 -10.837 2.734 2.775 1.00 1.00 C ATOM 232 CG ARG A 216 -12.296 2.936 2.406 1.00 1.00 C ATOM 233 CD ARG A 216 -12.463 4.047 1.387 1.00 1.00 C ATOM 234 NE ARG A 216 -13.851 4.474 1.257 1.00 1.00 N ATOM 235 CZ ARG A 216 -14.259 5.391 0.383 1.00 1.00 C ATOM 236 NH1 ARG A 216 -13.390 5.954 -0.450 1.00 1.00 N ATOM 237 NH2 ARG A 216 -15.537 5.746 0.334 1.00 1.00 N ATOM 0 H ARG A 216 -9.361 4.709 2.068 1.00 1.00 H new ATOM 0 HA ARG A 216 -11.094 4.163 4.352 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -10.240 2.721 1.863 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -10.723 1.757 3.245 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -12.703 2.008 2.004 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -12.869 3.173 3.302 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -11.849 4.899 1.678 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -12.098 3.706 0.418 1.00 1.00 H new ATOM 0 HE ARG A 216 -14.547 4.047 1.869 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -12.407 5.684 -0.421 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -13.706 6.656 -1.119 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -16.211 5.316 0.968 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -15.846 6.449 -0.337 1.00 1.00 H new ATOM 251 N ARG A 217 -9.493 3.040 5.864 1.00 1.00 N ATOM 252 CA ARG A 217 -8.552 2.457 6.802 1.00 1.00 C ATOM 253 C ARG A 217 -9.248 1.356 7.585 1.00 1.00 C ATOM 254 O ARG A 217 -10.414 1.494 7.969 1.00 1.00 O ATOM 255 CB ARG A 217 -7.974 3.517 7.749 1.00 1.00 C ATOM 256 CG ARG A 217 -9.014 4.207 8.618 1.00 1.00 C ATOM 257 CD ARG A 217 -8.364 4.963 9.768 1.00 1.00 C ATOM 258 NE ARG A 217 -7.437 5.992 9.296 1.00 1.00 N ATOM 259 CZ ARG A 217 -7.689 7.301 9.338 1.00 1.00 C ATOM 260 NH1 ARG A 217 -8.836 7.745 9.831 1.00 1.00 N ATOM 261 NH2 ARG A 217 -6.786 8.164 8.890 1.00 1.00 N ATOM 0 H ARG A 217 -10.390 3.300 6.274 1.00 1.00 H new ATOM 0 HA ARG A 217 -7.715 2.035 6.245 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -7.232 3.047 8.394 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.452 4.270 7.159 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -9.598 4.898 8.010 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -9.709 3.466 9.014 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.138 5.426 10.380 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -7.830 4.260 10.407 1.00 1.00 H new ATOM 0 HE ARG A 217 -6.542 5.689 8.911 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -9.531 7.085 10.180 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -9.024 8.747 9.861 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -5.900 7.826 8.514 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -6.978 9.165 8.922 1.00 1.00 H new ATOM 275 N ASP A 218 -8.547 0.261 7.798 1.00 1.00 N ATOM 276 CA ASP A 218 -9.109 -0.871 8.514 1.00 1.00 C ATOM 277 C ASP A 218 -8.370 -1.117 9.826 1.00 1.00 C ATOM 278 O ASP A 218 -7.556 -0.298 10.257 1.00 1.00 O ATOM 279 CB ASP A 218 -9.046 -2.126 7.640 1.00 1.00 C ATOM 280 CG ASP A 218 -7.678 -2.772 7.659 1.00 1.00 C ATOM 281 OD1 ASP A 218 -6.678 -2.067 7.426 1.00 1.00 O ATOM 282 OD2 ASP A 218 -7.595 -3.991 7.921 1.00 1.00 O ATOM 0 H ASP A 218 -7.585 0.129 7.486 1.00 1.00 H new ATOM 0 HA ASP A 218 -10.149 -0.641 8.747 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -9.789 -2.844 7.986 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -9.308 -1.865 6.615 1.00 1.00 H new ATOM 287 N ARG A 219 -8.658 -2.261 10.439 1.00 1.00 N ATOM 288 CA ARG A 219 -8.051 -2.662 11.706 1.00 1.00 C ATOM 289 C ARG A 219 -6.529 -2.787 11.603 1.00 1.00 C ATOM 290 O ARG A 219 -5.816 -2.537 12.575 1.00 1.00 O ATOM 291 CB ARG A 219 -8.655 -3.993 12.172 1.00 1.00 C ATOM 292 CG ARG A 219 -8.307 -4.370 13.604 1.00 1.00 C ATOM 293 CD ARG A 219 -8.852 -3.358 14.597 1.00 1.00 C ATOM 294 NE ARG A 219 -7.876 -2.317 14.908 1.00 1.00 N ATOM 295 CZ ARG A 219 -8.169 -1.027 15.056 1.00 1.00 C ATOM 296 NH1 ARG A 219 -9.415 -0.598 14.899 1.00 1.00 N ATOM 297 NH2 ARG A 219 -7.203 -0.170 15.357 1.00 1.00 N ATOM 0 H ARG A 219 -9.323 -2.941 10.069 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.265 -1.881 12.436 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -9.739 -3.940 12.076 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -8.314 -4.786 11.507 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -8.712 -5.356 13.830 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -7.224 -4.438 13.710 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -9.753 -2.900 14.190 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -9.141 -3.870 15.515 1.00 1.00 H new ATOM 0 HE ARG A 219 -6.902 -2.598 15.020 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -10.156 -1.258 14.663 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -9.632 0.392 15.014 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -6.245 -0.501 15.473 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -7.418 0.820 15.472 1.00 1.00 H new ATOM 311 N THR A 220 -6.027 -3.166 10.434 1.00 1.00 N ATOM 312 CA THR A 220 -4.589 -3.311 10.250 1.00 1.00 C ATOM 313 C THR A 220 -3.931 -1.960 9.978 1.00 1.00 C ATOM 314 O THR A 220 -2.705 -1.835 10.011 1.00 1.00 O ATOM 315 CB THR A 220 -4.246 -4.294 9.109 1.00 1.00 C ATOM 316 OG1 THR A 220 -4.713 -3.791 7.848 1.00 1.00 O ATOM 317 CG2 THR A 220 -4.852 -5.666 9.369 1.00 1.00 C ATOM 0 H THR A 220 -6.587 -3.376 9.608 1.00 1.00 H new ATOM 0 HA THR A 220 -4.196 -3.720 11.181 1.00 1.00 H new ATOM 0 HB THR A 220 -3.161 -4.392 9.073 1.00 1.00 H new ATOM 0 HG1 THR A 220 -5.183 -2.942 7.988 1.00 1.00 H new ATOM 0 HG21 THR A 220 -4.595 -6.338 8.550 1.00 1.00 H new ATOM 0 HG22 THR A 220 -4.459 -6.066 10.304 1.00 1.00 H new ATOM 0 HG23 THR A 220 -5.936 -5.578 9.439 1.00 1.00 H new ATOM 325 N GLY A 221 -4.752 -0.948 9.723 1.00 1.00 N ATOM 326 CA GLY A 221 -4.234 0.375 9.451 1.00 1.00 C ATOM 327 C GLY A 221 -3.836 0.545 8.000 1.00 1.00 C ATOM 328 O GLY A 221 -2.961 1.348 7.676 1.00 1.00 O ATOM 0 H GLY A 221 -5.769 -1.023 9.700 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -4.988 1.119 9.709 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -3.370 0.563 10.088 1.00 1.00 H new ATOM 332 N HIS A 222 -4.477 -0.215 7.125 1.00 1.00 N ATOM 333 CA HIS A 222 -4.182 -0.150 5.703 1.00 1.00 C ATOM 334 C HIS A 222 -4.919 1.005 5.043 1.00 1.00 C ATOM 335 O HIS A 222 -6.136 1.118 5.159 1.00 1.00 O ATOM 336 CB HIS A 222 -4.561 -1.464 5.021 1.00 1.00 C ATOM 337 CG HIS A 222 -3.428 -2.433 4.932 1.00 1.00 C ATOM 338 ND1 HIS A 222 -3.091 -3.094 3.772 1.00 1.00 N ATOM 339 CD2 HIS A 222 -2.530 -2.827 5.862 1.00 1.00 C ATOM 340 CE1 HIS A 222 -2.035 -3.849 3.994 1.00 1.00 C ATOM 341 NE2 HIS A 222 -1.676 -3.707 5.254 1.00 1.00 N ATOM 0 H HIS A 222 -5.205 -0.884 7.376 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.111 0.016 5.591 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -5.382 -1.926 5.569 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -4.928 -1.251 4.017 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -2.493 -2.507 6.893 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -1.545 -4.479 3.266 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.890 -4.176 5.703 1.00 1.00 H new ATOM 350 N TYR A 223 -4.169 1.866 4.366 1.00 1.00 N ATOM 351 CA TYR A 223 -4.746 3.008 3.670 1.00 1.00 C ATOM 352 C TYR A 223 -5.048 2.635 2.231 1.00 1.00 C ATOM 353 O TYR A 223 -4.151 2.258 1.479 1.00 1.00 O ATOM 354 CB TYR A 223 -3.793 4.202 3.701 1.00 1.00 C ATOM 355 CG TYR A 223 -3.904 5.037 4.952 1.00 1.00 C ATOM 356 CD1 TYR A 223 -4.886 6.010 5.070 1.00 1.00 C ATOM 357 CD2 TYR A 223 -3.020 4.860 6.007 1.00 1.00 C ATOM 358 CE1 TYR A 223 -4.989 6.782 6.209 1.00 1.00 C ATOM 359 CE2 TYR A 223 -3.118 5.626 7.151 1.00 1.00 C ATOM 360 CZ TYR A 223 -4.101 6.587 7.244 1.00 1.00 C ATOM 361 OH TYR A 223 -4.193 7.360 8.375 1.00 1.00 O ATOM 0 H TYR A 223 -3.155 1.794 4.284 1.00 1.00 H new ATOM 0 HA TYR A 223 -5.670 3.288 4.177 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.769 3.840 3.606 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -3.989 4.834 2.835 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -5.581 6.166 4.258 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -2.244 4.112 5.932 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -5.760 7.534 6.289 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -2.429 5.473 7.968 1.00 1.00 H new ATOM 0 HH TYR A 223 -3.494 7.096 9.010 1.00 1.00 H new ATOM 371 N LEU A 224 -6.309 2.715 1.862 1.00 1.00 N ATOM 372 CA LEU A 224 -6.727 2.379 0.515 1.00 1.00 C ATOM 373 C LEU A 224 -7.698 3.430 -0.010 1.00 1.00 C ATOM 374 O LEU A 224 -8.473 4.003 0.760 1.00 1.00 O ATOM 375 CB LEU A 224 -7.392 0.996 0.504 1.00 1.00 C ATOM 376 CG LEU A 224 -7.228 0.177 1.792 1.00 1.00 C ATOM 377 CD1 LEU A 224 -8.565 -0.407 2.224 1.00 1.00 C ATOM 378 CD2 LEU A 224 -6.197 -0.932 1.602 1.00 1.00 C ATOM 0 H LEU A 224 -7.066 3.011 2.478 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.850 2.356 -0.132 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -8.457 1.125 0.308 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -6.983 0.421 -0.327 1.00 1.00 H new ATOM 0 HG LEU A 224 -6.870 0.843 2.577 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -8.431 -0.985 3.139 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -9.273 0.401 2.406 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -8.949 -1.056 1.438 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -6.098 -1.499 2.528 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -6.522 -1.597 0.802 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -5.234 -0.493 1.340 1.00 1.00 H new ATOM 390 N CYS A 225 -7.641 3.692 -1.312 1.00 1.00 N ATOM 391 CA CYS A 225 -8.530 4.663 -1.934 1.00 1.00 C ATOM 392 C CYS A 225 -9.972 4.183 -1.824 1.00 1.00 C ATOM 393 O CYS A 225 -10.800 4.780 -1.133 1.00 1.00 O ATOM 394 CB CYS A 225 -8.147 4.852 -3.405 1.00 1.00 C ATOM 395 SG CYS A 225 -7.884 3.295 -4.324 1.00 1.00 S ATOM 0 H CYS A 225 -6.988 3.245 -1.955 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.434 5.620 -1.420 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -8.931 5.424 -3.901 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -7.236 5.448 -3.457 1.00 1.00 H new ATOM 0 HG CYS A 225 -6.672 2.870 -4.121 1.00 1.00 H new ATOM 400 N ASN A 226 -10.236 3.094 -2.524 1.00 1.00 N ATOM 401 CA ASN A 226 -11.540 2.448 -2.547 1.00 1.00 C ATOM 402 C ASN A 226 -11.466 1.230 -3.448 1.00 1.00 C ATOM 403 O ASN A 226 -11.876 0.136 -3.072 1.00 1.00 O ATOM 404 CB ASN A 226 -12.637 3.392 -3.052 1.00 1.00 C ATOM 405 CG ASN A 226 -14.021 2.770 -2.942 1.00 1.00 C ATOM 406 OD1 ASN A 226 -14.315 2.040 -1.996 1.00 1.00 O ATOM 407 ND2 ASN A 226 -14.877 3.046 -3.911 1.00 1.00 N ATOM 0 H ASN A 226 -9.540 2.624 -3.103 1.00 1.00 H new ATOM 0 HA ASN A 226 -11.797 2.160 -1.528 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.610 4.319 -2.479 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -12.439 3.654 -4.091 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -15.816 2.649 -3.890 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -14.598 3.656 -4.680 1.00 1.00 H new ATOM 414 N ALA A 227 -10.894 1.429 -4.630 1.00 1.00 N ATOM 415 CA ALA A 227 -10.757 0.361 -5.609 1.00 1.00 C ATOM 416 C ALA A 227 -9.652 -0.612 -5.212 1.00 1.00 C ATOM 417 O ALA A 227 -9.821 -1.829 -5.297 1.00 1.00 O ATOM 418 CB ALA A 227 -10.485 0.942 -6.988 1.00 1.00 C ATOM 0 H ALA A 227 -10.516 2.327 -4.933 1.00 1.00 H new ATOM 0 HA ALA A 227 -11.695 -0.193 -5.640 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -10.385 0.132 -7.711 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -11.312 1.589 -7.280 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -9.563 1.522 -6.963 1.00 1.00 H new ATOM 424 N CYS A 228 -8.518 -0.077 -4.778 1.00 1.00 N ATOM 425 CA CYS A 228 -7.397 -0.906 -4.365 1.00 1.00 C ATOM 426 C CYS A 228 -7.718 -1.664 -3.079 1.00 1.00 C ATOM 427 O CYS A 228 -7.193 -2.751 -2.837 1.00 1.00 O ATOM 428 CB CYS A 228 -6.163 -0.033 -4.173 1.00 1.00 C ATOM 429 SG CYS A 228 -5.809 1.050 -5.592 1.00 1.00 S ATOM 0 H CYS A 228 -8.352 0.927 -4.704 1.00 1.00 H new ATOM 0 HA CYS A 228 -7.202 -1.643 -5.144 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.298 0.581 -3.283 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -5.300 -0.673 -3.991 1.00 1.00 H new ATOM 0 HG CYS A 228 -6.716 1.978 -5.667 1.00 1.00 H new ATOM 434 N GLY A 229 -8.601 -1.094 -2.274 1.00 1.00 N ATOM 435 CA GLY A 229 -8.969 -1.717 -1.024 1.00 1.00 C ATOM 436 C GLY A 229 -10.192 -2.598 -1.147 1.00 1.00 C ATOM 437 O GLY A 229 -10.666 -3.146 -0.152 1.00 1.00 O ATOM 0 H GLY A 229 -9.070 -0.209 -2.466 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -8.132 -2.313 -0.660 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -9.157 -0.944 -0.279 1.00 1.00 H new ATOM 441 N LEU A 230 -10.702 -2.742 -2.365 1.00 1.00 N ATOM 442 CA LEU A 230 -11.883 -3.563 -2.605 1.00 1.00 C ATOM 443 C LEU A 230 -11.636 -5.011 -2.204 1.00 1.00 C ATOM 444 O LEU A 230 -12.489 -5.644 -1.591 1.00 1.00 O ATOM 445 CB LEU A 230 -12.303 -3.499 -4.076 1.00 1.00 C ATOM 446 CG LEU A 230 -13.194 -2.314 -4.452 1.00 1.00 C ATOM 447 CD1 LEU A 230 -13.533 -2.352 -5.934 1.00 1.00 C ATOM 448 CD2 LEU A 230 -14.461 -2.315 -3.610 1.00 1.00 C ATOM 0 H LEU A 230 -10.317 -2.302 -3.201 1.00 1.00 H new ATOM 0 HA LEU A 230 -12.689 -3.163 -1.990 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -11.404 -3.466 -4.692 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -12.828 -4.421 -4.327 1.00 1.00 H new ATOM 0 HG LEU A 230 -12.649 -1.392 -4.250 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -14.168 -1.502 -6.184 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -12.614 -2.304 -6.519 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -14.060 -3.278 -6.163 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -15.084 -1.466 -3.890 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -15.011 -3.241 -3.781 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.197 -2.240 -2.555 1.00 1.00 H new ATOM 460 N TYR A 231 -10.464 -5.534 -2.539 1.00 1.00 N ATOM 461 CA TYR A 231 -10.134 -6.913 -2.202 1.00 1.00 C ATOM 462 C TYR A 231 -10.010 -7.085 -0.689 1.00 1.00 C ATOM 463 O TYR A 231 -10.404 -8.111 -0.137 1.00 1.00 O ATOM 464 CB TYR A 231 -8.837 -7.338 -2.895 1.00 1.00 C ATOM 465 CG TYR A 231 -8.759 -8.824 -3.176 1.00 1.00 C ATOM 466 CD1 TYR A 231 -9.772 -9.467 -3.877 1.00 1.00 C ATOM 467 CD2 TYR A 231 -7.682 -9.586 -2.736 1.00 1.00 C ATOM 468 CE1 TYR A 231 -9.714 -10.823 -4.133 1.00 1.00 C ATOM 469 CE2 TYR A 231 -7.616 -10.944 -2.992 1.00 1.00 C ATOM 470 CZ TYR A 231 -8.636 -11.558 -3.688 1.00 1.00 C ATOM 471 OH TYR A 231 -8.581 -12.909 -3.938 1.00 1.00 O ATOM 0 H TYR A 231 -9.732 -5.030 -3.039 1.00 1.00 H new ATOM 0 HA TYR A 231 -10.943 -7.553 -2.555 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -8.741 -6.794 -3.834 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -7.990 -7.050 -2.272 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -10.619 -8.897 -4.228 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -6.884 -9.110 -2.185 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -10.510 -11.306 -4.680 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -6.770 -11.520 -2.648 1.00 1.00 H new ATOM 0 HH TYR A 231 -7.756 -13.279 -3.559 1.00 1.00 H new ATOM 481 N HIS A 232 -9.489 -6.064 -0.023 1.00 1.00 N ATOM 482 CA HIS A 232 -9.312 -6.099 1.425 1.00 1.00 C ATOM 483 C HIS A 232 -10.659 -6.012 2.144 1.00 1.00 C ATOM 484 O HIS A 232 -10.878 -6.675 3.154 1.00 1.00 O ATOM 485 CB HIS A 232 -8.398 -4.946 1.870 1.00 1.00 C ATOM 486 CG HIS A 232 -7.935 -5.038 3.299 1.00 1.00 C ATOM 487 ND1 HIS A 232 -6.637 -5.328 3.652 1.00 1.00 N ATOM 488 CD2 HIS A 232 -8.602 -4.859 4.465 1.00 1.00 C ATOM 489 CE1 HIS A 232 -6.525 -5.327 4.964 1.00 1.00 C ATOM 490 NE2 HIS A 232 -7.702 -5.044 5.484 1.00 1.00 N ATOM 0 H HIS A 232 -9.180 -5.197 -0.463 1.00 1.00 H new ATOM 0 HA HIS A 232 -8.847 -7.048 1.691 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -7.525 -4.918 1.219 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -8.928 -4.004 1.732 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -9.649 -4.616 4.572 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -5.621 -5.525 5.520 1.00 1.00 H new ATOM 0 HE2 HIS A 232 -7.910 -4.974 6.480 1.00 1.00 H new ATOM 499 N LYS A 233 -11.562 -5.206 1.603 1.00 1.00 N ATOM 500 CA LYS A 233 -12.876 -5.004 2.207 1.00 1.00 C ATOM 501 C LYS A 233 -13.883 -6.076 1.774 1.00 1.00 C ATOM 502 O LYS A 233 -14.984 -6.159 2.320 1.00 1.00 O ATOM 503 CB LYS A 233 -13.400 -3.610 1.839 1.00 1.00 C ATOM 504 CG LYS A 233 -14.505 -3.107 2.751 1.00 1.00 C ATOM 505 CD LYS A 233 -14.985 -1.723 2.345 1.00 1.00 C ATOM 506 CE LYS A 233 -15.516 -1.708 0.919 1.00 1.00 C ATOM 507 NZ LYS A 233 -16.492 -0.608 0.706 1.00 1.00 N ATOM 0 H LYS A 233 -11.410 -4.678 0.743 1.00 1.00 H new ATOM 0 HA LYS A 233 -12.762 -5.086 3.288 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -12.571 -2.903 1.865 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -13.770 -3.631 0.814 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -15.343 -3.804 2.726 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -14.144 -3.079 3.779 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -15.768 -1.394 3.028 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -14.164 -1.012 2.435 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -14.685 -1.597 0.223 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -15.991 -2.664 0.698 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -16.831 -0.630 -0.277 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -17.297 -0.728 1.353 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -16.032 0.306 0.893 1.00 1.00 H new ATOM 521 N MET A 234 -13.513 -6.895 0.801 1.00 1.00 N ATOM 522 CA MET A 234 -14.405 -7.943 0.315 1.00 1.00 C ATOM 523 C MET A 234 -13.874 -9.329 0.669 1.00 1.00 C ATOM 524 O MET A 234 -14.484 -10.056 1.453 1.00 1.00 O ATOM 525 CB MET A 234 -14.585 -7.820 -1.200 1.00 1.00 C ATOM 526 CG MET A 234 -15.414 -8.938 -1.808 1.00 1.00 C ATOM 527 SD MET A 234 -15.258 -9.018 -3.602 1.00 1.00 S ATOM 528 CE MET A 234 -15.806 -10.698 -3.901 1.00 1.00 C ATOM 0 H MET A 234 -12.607 -6.857 0.333 1.00 1.00 H new ATOM 0 HA MET A 234 -15.372 -7.817 0.803 1.00 1.00 H new ATOM 0 HB2 MET A 234 -15.059 -6.865 -1.424 1.00 1.00 H new ATOM 0 HB3 MET A 234 -13.604 -7.808 -1.674 1.00 1.00 H new ATOM 0 HG2 MET A 234 -15.105 -9.890 -1.377 1.00 1.00 H new ATOM 0 HG3 MET A 234 -16.462 -8.794 -1.544 1.00 1.00 H new ATOM 0 HE1 MET A 234 -15.769 -10.908 -4.970 1.00 1.00 H new ATOM 0 HE2 MET A 234 -15.154 -11.393 -3.372 1.00 1.00 H new ATOM 0 HE3 MET A 234 -16.829 -10.816 -3.543 1.00 1.00 H new ATOM 538 N ASN A 235 -12.725 -9.681 0.098 1.00 1.00 N ATOM 539 CA ASN A 235 -12.110 -10.984 0.336 1.00 1.00 C ATOM 540 C ASN A 235 -11.660 -11.108 1.784 1.00 1.00 C ATOM 541 O ASN A 235 -11.655 -12.198 2.357 1.00 1.00 O ATOM 542 CB ASN A 235 -10.914 -11.179 -0.603 1.00 1.00 C ATOM 543 CG ASN A 235 -10.290 -12.560 -0.493 1.00 1.00 C ATOM 544 OD1 ASN A 235 -9.450 -12.810 0.371 1.00 1.00 O ATOM 545 ND2 ASN A 235 -10.677 -13.460 -1.382 1.00 1.00 N ATOM 0 H ASN A 235 -12.199 -9.079 -0.536 1.00 1.00 H new ATOM 0 HA ASN A 235 -12.851 -11.758 0.136 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -11.236 -11.013 -1.631 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -10.158 -10.426 -0.380 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -10.276 -14.398 -1.366 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -11.376 -13.216 -2.084 1.00 1.00 H new ATOM 552 N GLY A 236 -11.283 -9.983 2.370 1.00 1.00 N ATOM 553 CA GLY A 236 -10.836 -9.982 3.746 1.00 1.00 C ATOM 554 C GLY A 236 -9.336 -10.134 3.844 1.00 1.00 C ATOM 555 O GLY A 236 -8.772 -10.148 4.939 1.00 1.00 O ATOM 0 H GLY A 236 -11.279 -9.069 1.917 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -11.140 -9.052 4.227 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -11.321 -10.795 4.287 1.00 1.00 H new ATOM 559 N GLN A 237 -8.694 -10.265 2.692 1.00 1.00 N ATOM 560 CA GLN A 237 -7.251 -10.412 2.633 1.00 1.00 C ATOM 561 C GLN A 237 -6.583 -9.078 2.932 1.00 1.00 C ATOM 562 O GLN A 237 -7.148 -8.019 2.656 1.00 1.00 O ATOM 563 CB GLN A 237 -6.820 -10.923 1.257 1.00 1.00 C ATOM 564 CG GLN A 237 -5.346 -11.287 1.179 1.00 1.00 C ATOM 565 CD GLN A 237 -4.976 -11.971 -0.121 1.00 1.00 C ATOM 566 OE1 GLN A 237 -5.041 -13.196 -0.230 1.00 1.00 O ATOM 567 NE2 GLN A 237 -4.586 -11.190 -1.113 1.00 1.00 N ATOM 0 H GLN A 237 -9.155 -10.272 1.782 1.00 1.00 H new ATOM 0 HA GLN A 237 -6.942 -11.141 3.382 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -7.416 -11.799 1.000 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -7.037 -10.159 0.510 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -4.747 -10.383 1.291 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -5.094 -11.942 2.013 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -4.546 -10.179 -0.981 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -4.325 -11.598 -2.011 1.00 1.00 H new ATOM 576 N ASN A 238 -5.395 -9.139 3.512 1.00 1.00 N ATOM 577 CA ASN A 238 -4.644 -7.943 3.857 1.00 1.00 C ATOM 578 C ASN A 238 -4.197 -7.210 2.596 1.00 1.00 C ATOM 579 O ASN A 238 -3.680 -7.877 1.681 1.00 1.00 O ATOM 580 CB ASN A 238 -3.431 -8.316 4.710 1.00 1.00 C ATOM 581 CG ASN A 238 -2.757 -7.110 5.334 1.00 1.00 C ATOM 582 OD1 ASN A 238 -3.404 -6.112 5.656 1.00 1.00 O ATOM 583 ND2 ASN A 238 -1.451 -7.203 5.518 1.00 1.00 N ATOM 0 H ASN A 238 -4.927 -10.012 3.755 1.00 1.00 H new ATOM 0 HA ASN A 238 -5.290 -7.278 4.431 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -3.744 -9.000 5.499 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -2.709 -8.851 4.093 1.00 1.00 H new ATOM 0 HD21 ASN A 238 -0.939 -6.429 5.942 1.00 1.00 H new ATOM 0 HD22 ASN A 238 -0.955 -8.049 5.236 1.00 1.00 H new ATOM 591 N GLY B 1 25.218 -4.266 -0.015 1.00 1.00 N ATOM 592 CA GLY B 1 25.288 -4.275 1.463 1.00 1.00 C ATOM 593 C GLY B 1 24.190 -3.444 2.081 1.00 1.00 C ATOM 594 O GLY B 1 23.168 -3.197 1.440 1.00 1.00 O ATOM 0 H1 GLY B 1 25.209 -5.244 -0.368 1.00 1.00 H new ATOM 0 H2 GLY B 1 24.350 -3.780 -0.318 1.00 1.00 H new ATOM 0 H3 GLY B 1 26.046 -3.767 -0.399 1.00 1.00 H new ATOM 0 HA2 GLY B 1 25.215 -5.301 1.824 1.00 1.00 H new ATOM 0 HA3 GLY B 1 26.257 -3.893 1.783 1.00 1.00 H new ATOM 600 N SER B 2 24.403 -3.013 3.323 1.00 1.00 N ATOM 601 CA SER B 2 23.433 -2.197 4.045 1.00 1.00 C ATOM 602 C SER B 2 22.077 -2.894 4.123 1.00 1.00 C ATOM 603 O SER B 2 21.040 -2.323 3.773 1.00 1.00 O ATOM 604 CB SER B 2 23.303 -0.826 3.380 1.00 1.00 C ATOM 605 OG SER B 2 24.582 -0.267 3.140 1.00 1.00 O ATOM 0 H SER B 2 25.249 -3.219 3.854 1.00 1.00 H new ATOM 0 HA SER B 2 23.791 -2.058 5.065 1.00 1.00 H new ATOM 0 HB2 SER B 2 22.759 -0.921 2.440 1.00 1.00 H new ATOM 0 HB3 SER B 2 22.722 -0.160 4.018 1.00 1.00 H new ATOM 0 HG SER B 2 24.481 0.609 2.713 1.00 1.00 H new ATOM 611 N LEU B 3 22.099 -4.140 4.573 1.00 1.00 N ATOM 612 CA LEU B 3 20.884 -4.925 4.706 1.00 1.00 C ATOM 613 C LEU B 3 20.357 -4.842 6.134 1.00 1.00 C ATOM 614 O LEU B 3 20.658 -3.885 6.855 1.00 1.00 O ATOM 615 CB LEU B 3 21.147 -6.385 4.327 1.00 1.00 C ATOM 616 CG LEU B 3 21.543 -6.621 2.867 1.00 1.00 C ATOM 617 CD1 LEU B 3 21.793 -8.100 2.620 1.00 1.00 C ATOM 618 CD2 LEU B 3 20.468 -6.094 1.925 1.00 1.00 C ATOM 0 H LEU B 3 22.949 -4.629 4.853 1.00 1.00 H new ATOM 0 HA LEU B 3 20.133 -4.518 4.029 1.00 1.00 H new ATOM 0 HB2 LEU B 3 21.939 -6.773 4.968 1.00 1.00 H new ATOM 0 HB3 LEU B 3 20.250 -6.966 4.541 1.00 1.00 H new ATOM 0 HG LEU B 3 22.466 -6.076 2.668 1.00 1.00 H new ATOM 0 HD11 LEU B 3 22.074 -8.252 1.578 1.00 1.00 H new ATOM 0 HD12 LEU B 3 22.599 -8.446 3.267 1.00 1.00 H new ATOM 0 HD13 LEU B 3 20.886 -8.664 2.838 1.00 1.00 H new ATOM 0 HD21 LEU B 3 20.770 -6.272 0.893 1.00 1.00 H new ATOM 0 HD22 LEU B 3 19.528 -6.609 2.122 1.00 1.00 H new ATOM 0 HD23 LEU B 3 20.337 -5.024 2.085 1.00 1.00 H new ATOM 630 N LEU B 4 19.572 -5.850 6.529 1.00 1.00 N ATOM 631 CA LEU B 4 18.980 -5.931 7.868 1.00 1.00 C ATOM 632 C LEU B 4 17.866 -4.899 8.037 1.00 1.00 C ATOM 633 O LEU B 4 16.699 -5.256 8.189 1.00 1.00 O ATOM 634 CB LEU B 4 20.041 -5.765 8.969 1.00 1.00 C ATOM 635 CG LEU B 4 20.942 -6.983 9.221 1.00 1.00 C ATOM 636 CD1 LEU B 4 20.145 -8.274 9.124 1.00 1.00 C ATOM 637 CD2 LEU B 4 22.117 -7.004 8.252 1.00 1.00 C ATOM 0 H LEU B 4 19.329 -6.636 5.926 1.00 1.00 H new ATOM 0 HA LEU B 4 18.547 -6.926 7.971 1.00 1.00 H new ATOM 0 HB2 LEU B 4 20.674 -4.916 8.711 1.00 1.00 H new ATOM 0 HB3 LEU B 4 19.534 -5.513 9.900 1.00 1.00 H new ATOM 0 HG LEU B 4 21.339 -6.901 10.233 1.00 1.00 H new ATOM 0 HD11 LEU B 4 20.804 -9.123 9.306 1.00 1.00 H new ATOM 0 HD12 LEU B 4 19.349 -8.267 9.868 1.00 1.00 H new ATOM 0 HD13 LEU B 4 19.710 -8.359 8.128 1.00 1.00 H new ATOM 0 HD21 LEU B 4 22.739 -7.877 8.453 1.00 1.00 H new ATOM 0 HD22 LEU B 4 21.744 -7.052 7.229 1.00 1.00 H new ATOM 0 HD23 LEU B 4 22.710 -6.099 8.380 1.00 1.00 H new ATOM 649 N LYS B 5 18.220 -3.626 7.995 1.00 1.00 N ATOM 650 CA LYS B 5 17.240 -2.562 8.136 1.00 1.00 C ATOM 651 C LYS B 5 16.991 -1.903 6.786 1.00 1.00 C ATOM 652 O LYS B 5 17.896 -1.305 6.201 1.00 1.00 O ATOM 653 CB LYS B 5 17.711 -1.520 9.155 1.00 1.00 C ATOM 654 CG LYS B 5 17.641 -1.998 10.596 1.00 1.00 C ATOM 655 CD LYS B 5 17.559 -0.831 11.565 1.00 1.00 C ATOM 656 CE LYS B 5 16.195 -0.161 11.513 1.00 1.00 C ATOM 657 NZ LYS B 5 16.138 1.056 12.365 1.00 1.00 N ATOM 0 H LYS B 5 19.179 -3.304 7.864 1.00 1.00 H new ATOM 0 HA LYS B 5 16.308 -2.996 8.498 1.00 1.00 H new ATOM 0 HB2 LYS B 5 18.738 -1.238 8.925 1.00 1.00 H new ATOM 0 HB3 LYS B 5 17.103 -0.621 9.050 1.00 1.00 H new ATOM 0 HG2 LYS B 5 16.771 -2.642 10.725 1.00 1.00 H new ATOM 0 HG3 LYS B 5 18.520 -2.601 10.824 1.00 1.00 H new ATOM 0 HD2 LYS B 5 17.755 -1.183 12.578 1.00 1.00 H new ATOM 0 HD3 LYS B 5 18.333 -0.102 11.325 1.00 1.00 H new ATOM 0 HE2 LYS B 5 15.962 0.107 10.482 1.00 1.00 H new ATOM 0 HE3 LYS B 5 15.432 -0.868 11.839 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 15.191 1.481 12.300 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 16.335 0.798 13.353 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 16.848 1.742 12.039 1.00 1.00 H new ATOM 671 N PRO B 6 15.763 -2.020 6.266 1.00 1.00 N ATOM 672 CA PRO B 6 15.398 -1.442 4.977 1.00 1.00 C ATOM 673 C PRO B 6 15.182 0.069 5.052 1.00 1.00 C ATOM 674 O PRO B 6 14.170 0.541 5.566 1.00 1.00 O ATOM 675 CB PRO B 6 14.093 -2.155 4.628 1.00 1.00 C ATOM 676 CG PRO B 6 13.490 -2.519 5.942 1.00 1.00 C ATOM 677 CD PRO B 6 14.634 -2.724 6.900 1.00 1.00 C ATOM 0 HA PRO B 6 16.185 -1.575 4.234 1.00 1.00 H new ATOM 0 HB2 PRO B 6 13.430 -1.507 4.055 1.00 1.00 H new ATOM 0 HB3 PRO B 6 14.277 -3.040 4.019 1.00 1.00 H new ATOM 0 HG2 PRO B 6 12.826 -1.730 6.295 1.00 1.00 H new ATOM 0 HG3 PRO B 6 12.891 -3.425 5.855 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.409 -2.312 7.884 1.00 1.00 H new ATOM 0 HD3 PRO B 6 14.852 -3.783 7.040 1.00 1.00 H new ATOM 685 N ALA B 7 16.141 0.821 4.532 1.00 1.00 N ATOM 686 CA ALA B 7 16.060 2.276 4.531 1.00 1.00 C ATOM 687 C ALA B 7 15.463 2.773 3.219 1.00 1.00 C ATOM 688 O ALA B 7 15.602 3.942 2.855 1.00 1.00 O ATOM 689 CB ALA B 7 17.440 2.876 4.752 1.00 1.00 C ATOM 0 H ALA B 7 16.988 0.447 4.104 1.00 1.00 H new ATOM 0 HA ALA B 7 15.409 2.593 5.346 1.00 1.00 H new ATOM 0 HB1 ALA B 7 17.369 3.964 4.750 1.00 1.00 H new ATOM 0 HB2 ALA B 7 17.833 2.540 5.712 1.00 1.00 H new ATOM 0 HB3 ALA B 7 18.109 2.555 3.953 1.00 1.00 H new ATOM 695 N ARG B 8 14.792 1.874 2.516 1.00 1.00 N ATOM 696 CA ARG B 8 14.178 2.204 1.242 1.00 1.00 C ATOM 697 C ARG B 8 12.674 1.976 1.284 1.00 1.00 C ATOM 698 O ARG B 8 12.210 0.838 1.323 1.00 1.00 O ATOM 699 CB ARG B 8 14.796 1.369 0.118 1.00 1.00 C ATOM 700 CG ARG B 8 16.173 1.846 -0.313 1.00 1.00 C ATOM 701 CD ARG B 8 16.150 3.309 -0.721 1.00 1.00 C ATOM 702 NE ARG B 8 17.273 3.646 -1.589 1.00 1.00 N ATOM 703 CZ ARG B 8 17.854 4.843 -1.626 1.00 1.00 C ATOM 704 NH1 ARG B 8 17.429 5.816 -0.829 1.00 1.00 N ATOM 705 NH2 ARG B 8 18.869 5.060 -2.453 1.00 1.00 N ATOM 0 H ARG B 8 14.659 0.906 2.809 1.00 1.00 H new ATOM 0 HA ARG B 8 14.363 3.260 1.047 1.00 1.00 H new ATOM 0 HB2 ARG B 8 14.867 0.332 0.445 1.00 1.00 H new ATOM 0 HB3 ARG B 8 14.129 1.387 -0.744 1.00 1.00 H new ATOM 0 HG2 ARG B 8 16.881 1.706 0.504 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.525 1.239 -1.147 1.00 1.00 H new ATOM 0 HD2 ARG B 8 15.214 3.528 -1.235 1.00 1.00 H new ATOM 0 HD3 ARG B 8 16.178 3.936 0.170 1.00 1.00 H new ATOM 0 HE ARG B 8 17.636 2.919 -2.206 1.00 1.00 H new ATOM 0 HH11 ARG B 8 16.655 5.647 -0.186 1.00 1.00 H new ATOM 0 HH12 ARG B 8 17.876 6.732 -0.860 1.00 1.00 H new ATOM 0 HH21 ARG B 8 19.203 4.310 -3.059 1.00 1.00 H new ATOM 0 HH22 ARG B 8 19.316 5.977 -2.483 1.00 1.00 H new ATOM 719 N PHE B 9 11.923 3.066 1.295 1.00 1.00 N ATOM 720 CA PHE B 9 10.467 2.998 1.310 1.00 1.00 C ATOM 721 C PHE B 9 9.925 3.447 -0.042 1.00 1.00 C ATOM 722 O PHE B 9 8.902 4.119 -0.130 1.00 1.00 O ATOM 723 CB PHE B 9 9.887 3.871 2.436 1.00 1.00 C ATOM 724 CG PHE B 9 10.849 4.888 2.998 1.00 1.00 C ATOM 725 CD1 PHE B 9 11.066 6.096 2.351 1.00 1.00 C ATOM 726 CD2 PHE B 9 11.533 4.632 4.177 1.00 1.00 C ATOM 727 CE1 PHE B 9 11.946 7.027 2.872 1.00 1.00 C ATOM 728 CE2 PHE B 9 12.414 5.560 4.700 1.00 1.00 C ATOM 729 CZ PHE B 9 12.622 6.757 4.047 1.00 1.00 C ATOM 0 H PHE B 9 12.299 4.014 1.294 1.00 1.00 H new ATOM 0 HA PHE B 9 10.165 1.968 1.497 1.00 1.00 H new ATOM 0 HB2 PHE B 9 9.007 4.392 2.058 1.00 1.00 H new ATOM 0 HB3 PHE B 9 9.550 3.222 3.245 1.00 1.00 H new ATOM 0 HD1 PHE B 9 10.542 6.311 1.431 1.00 1.00 H new ATOM 0 HD2 PHE B 9 11.375 3.696 4.693 1.00 1.00 H new ATOM 0 HE1 PHE B 9 12.105 7.965 2.361 1.00 1.00 H new ATOM 0 HE2 PHE B 9 12.939 5.348 5.620 1.00 1.00 H new ATOM 0 HZ PHE B 9 13.312 7.482 4.453 1.00 1.00 H new ATOM 739 N MET B 10 10.626 3.065 -1.097 1.00 1.00 N ATOM 740 CA MET B 10 10.239 3.435 -2.446 1.00 1.00 C ATOM 741 C MET B 10 10.583 2.319 -3.421 1.00 1.00 C ATOM 742 O MET B 10 11.712 1.825 -3.431 1.00 1.00 O ATOM 743 CB MET B 10 10.950 4.729 -2.855 1.00 1.00 C ATOM 744 CG MET B 10 10.808 5.074 -4.328 1.00 1.00 C ATOM 745 SD MET B 10 11.629 6.621 -4.751 1.00 1.00 S ATOM 746 CE MET B 10 11.263 6.729 -6.500 1.00 1.00 C ATOM 0 H MET B 10 11.471 2.496 -1.043 1.00 1.00 H new ATOM 0 HA MET B 10 9.161 3.597 -2.470 1.00 1.00 H new ATOM 0 HB2 MET B 10 10.555 5.552 -2.260 1.00 1.00 H new ATOM 0 HB3 MET B 10 12.009 4.641 -2.614 1.00 1.00 H new ATOM 0 HG2 MET B 10 11.226 4.267 -4.930 1.00 1.00 H new ATOM 0 HG3 MET B 10 9.750 5.145 -4.582 1.00 1.00 H new ATOM 0 HE1 MET B 10 11.706 7.637 -6.909 1.00 1.00 H new ATOM 0 HE2 MET B 10 11.677 5.861 -7.013 1.00 1.00 H new ATOM 0 HE3 MET B 10 10.183 6.755 -6.645 1.00 1.00 H new ATOM 756 N CYS B 11 9.608 1.910 -4.218 1.00 1.00 N ATOM 757 CA CYS B 11 9.823 0.869 -5.202 1.00 1.00 C ATOM 758 C CYS B 11 10.410 1.460 -6.476 1.00 1.00 C ATOM 759 O CYS B 11 9.709 2.116 -7.246 1.00 1.00 O ATOM 760 CB CYS B 11 8.512 0.149 -5.518 1.00 1.00 C ATOM 761 SG CYS B 11 7.778 -0.745 -4.111 1.00 1.00 S ATOM 0 H CYS B 11 8.660 2.286 -4.200 1.00 1.00 H new ATOM 0 HA CYS B 11 10.527 0.147 -4.788 1.00 1.00 H new ATOM 0 HB2 CYS B 11 7.790 0.880 -5.883 1.00 1.00 H new ATOM 0 HB3 CYS B 11 8.688 -0.558 -6.329 1.00 1.00 H new ATOM 0 HG CYS B 11 7.153 -1.799 -4.545 1.00 1.00 H new ATOM 766 N LEU B 12 11.698 1.240 -6.678 1.00 1.00 N ATOM 767 CA LEU B 12 12.388 1.737 -7.863 1.00 1.00 C ATOM 768 C LEU B 12 11.794 1.139 -9.152 1.00 1.00 C ATOM 769 O LEU B 12 11.462 1.886 -10.075 1.00 1.00 O ATOM 770 CB LEU B 12 13.888 1.446 -7.768 1.00 1.00 C ATOM 771 CG LEU B 12 14.598 2.076 -6.566 1.00 1.00 C ATOM 772 CD1 LEU B 12 16.023 1.557 -6.458 1.00 1.00 C ATOM 773 CD2 LEU B 12 14.595 3.592 -6.676 1.00 1.00 C ATOM 0 H LEU B 12 12.293 0.718 -6.034 1.00 1.00 H new ATOM 0 HA LEU B 12 12.246 2.817 -7.907 1.00 1.00 H new ATOM 0 HB2 LEU B 12 14.031 0.366 -7.729 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.369 1.799 -8.680 1.00 1.00 H new ATOM 0 HG LEU B 12 14.056 1.795 -5.663 1.00 1.00 H new ATOM 0 HD11 LEU B 12 16.513 2.015 -5.599 1.00 1.00 H new ATOM 0 HD12 LEU B 12 16.007 0.474 -6.332 1.00 1.00 H new ATOM 0 HD13 LEU B 12 16.572 1.809 -7.365 1.00 1.00 H new ATOM 0 HD21 LEU B 12 15.104 4.020 -5.813 1.00 1.00 H new ATOM 0 HD22 LEU B 12 15.112 3.892 -7.588 1.00 1.00 H new ATOM 0 HD23 LEU B 12 13.567 3.953 -6.707 1.00 1.00 H new ATOM 785 N PRO B 13 11.633 -0.209 -9.241 1.00 1.00 N ATOM 786 CA PRO B 13 11.066 -0.853 -10.436 1.00 1.00 C ATOM 787 C PRO B 13 9.663 -0.350 -10.769 1.00 1.00 C ATOM 788 O PRO B 13 9.351 -0.081 -11.932 1.00 1.00 O ATOM 789 CB PRO B 13 11.019 -2.339 -10.068 1.00 1.00 C ATOM 790 CG PRO B 13 12.030 -2.497 -8.989 1.00 1.00 C ATOM 791 CD PRO B 13 12.009 -1.210 -8.220 1.00 1.00 C ATOM 0 HA PRO B 13 11.664 -0.638 -11.321 1.00 1.00 H new ATOM 0 HB2 PRO B 13 10.026 -2.630 -9.725 1.00 1.00 H new ATOM 0 HB3 PRO B 13 11.256 -2.967 -10.927 1.00 1.00 H new ATOM 0 HG2 PRO B 13 11.786 -3.342 -8.345 1.00 1.00 H new ATOM 0 HG3 PRO B 13 13.019 -2.688 -9.405 1.00 1.00 H new ATOM 0 HD2 PRO B 13 11.288 -1.241 -7.403 1.00 1.00 H new ATOM 0 HD3 PRO B 13 12.981 -0.989 -7.779 1.00 1.00 H new ATOM 799 N CYS B 14 8.817 -0.228 -9.752 1.00 1.00 N ATOM 800 CA CYS B 14 7.458 0.250 -9.950 1.00 1.00 C ATOM 801 C CYS B 14 7.451 1.745 -10.258 1.00 1.00 C ATOM 802 O CYS B 14 6.638 2.224 -11.051 1.00 1.00 O ATOM 803 CB CYS B 14 6.633 -0.034 -8.701 1.00 1.00 C ATOM 804 SG CYS B 14 7.055 -1.612 -7.894 1.00 1.00 S ATOM 0 H CYS B 14 9.050 -0.454 -8.785 1.00 1.00 H new ATOM 0 HA CYS B 14 7.020 -0.273 -10.800 1.00 1.00 H new ATOM 0 HB2 CYS B 14 6.775 0.779 -7.989 1.00 1.00 H new ATOM 0 HB3 CYS B 14 5.576 -0.043 -8.968 1.00 1.00 H new ATOM 0 HG CYS B 14 6.181 -2.516 -8.225 1.00 1.00 H new ATOM 809 N GLY B 15 8.361 2.472 -9.626 1.00 1.00 N ATOM 810 CA GLY B 15 8.451 3.901 -9.835 1.00 1.00 C ATOM 811 C GLY B 15 7.494 4.662 -8.945 1.00 1.00 C ATOM 812 O GLY B 15 6.957 5.696 -9.338 1.00 1.00 O ATOM 0 H GLY B 15 9.043 2.094 -8.968 1.00 1.00 H new ATOM 0 HA2 GLY B 15 9.471 4.233 -9.640 1.00 1.00 H new ATOM 0 HA3 GLY B 15 8.236 4.130 -10.879 1.00 1.00 H new ATOM 816 N ILE B 16 7.269 4.144 -7.744 1.00 1.00 N ATOM 817 CA ILE B 16 6.364 4.783 -6.798 1.00 1.00 C ATOM 818 C ILE B 16 7.037 4.939 -5.438 1.00 1.00 C ATOM 819 O ILE B 16 7.642 3.997 -4.924 1.00 1.00 O ATOM 820 CB ILE B 16 5.051 3.981 -6.618 1.00 1.00 C ATOM 821 CG1 ILE B 16 4.501 3.514 -7.973 1.00 1.00 C ATOM 822 CG2 ILE B 16 4.013 4.828 -5.893 1.00 1.00 C ATOM 823 CD1 ILE B 16 3.275 2.629 -7.867 1.00 1.00 C ATOM 0 H ILE B 16 7.700 3.285 -7.403 1.00 1.00 H new ATOM 0 HA ILE B 16 6.118 5.762 -7.209 1.00 1.00 H new ATOM 0 HB ILE B 16 5.271 3.098 -6.018 1.00 1.00 H new ATOM 0 HG12 ILE B 16 4.254 4.389 -8.575 1.00 1.00 H new ATOM 0 HG13 ILE B 16 5.283 2.972 -8.504 1.00 1.00 H new ATOM 0 HG21 ILE B 16 3.095 4.254 -5.772 1.00 1.00 H new ATOM 0 HG22 ILE B 16 4.395 5.111 -4.912 1.00 1.00 H new ATOM 0 HG23 ILE B 16 3.805 5.726 -6.475 1.00 1.00 H new ATOM 0 HD11 ILE B 16 2.947 2.341 -8.866 1.00 1.00 H new ATOM 0 HD12 ILE B 16 3.520 1.735 -7.294 1.00 1.00 H new ATOM 0 HD13 ILE B 16 2.475 3.174 -7.365 1.00 1.00 H new ATOM 835 N ALA B 17 6.932 6.132 -4.865 1.00 1.00 N ATOM 836 CA ALA B 17 7.526 6.420 -3.569 1.00 1.00 C ATOM 837 C ALA B 17 6.471 6.350 -2.474 1.00 1.00 C ATOM 838 O ALA B 17 5.400 6.943 -2.594 1.00 1.00 O ATOM 839 CB ALA B 17 8.195 7.788 -3.587 1.00 1.00 C ATOM 0 H ALA B 17 6.437 6.920 -5.283 1.00 1.00 H new ATOM 0 HA ALA B 17 8.287 5.668 -3.358 1.00 1.00 H new ATOM 0 HB1 ALA B 17 8.635 7.991 -2.611 1.00 1.00 H new ATOM 0 HB2 ALA B 17 8.976 7.801 -4.347 1.00 1.00 H new ATOM 0 HB3 ALA B 17 7.453 8.553 -3.816 1.00 1.00 H new ATOM 845 N PHE B 18 6.774 5.609 -1.420 1.00 1.00 N ATOM 846 CA PHE B 18 5.856 5.454 -0.304 1.00 1.00 C ATOM 847 C PHE B 18 6.466 6.016 0.969 1.00 1.00 C ATOM 848 O PHE B 18 7.565 6.575 0.952 1.00 1.00 O ATOM 849 CB PHE B 18 5.499 3.979 -0.107 1.00 1.00 C ATOM 850 CG PHE B 18 4.652 3.419 -1.208 1.00 1.00 C ATOM 851 CD1 PHE B 18 3.273 3.480 -1.131 1.00 1.00 C ATOM 852 CD2 PHE B 18 5.234 2.833 -2.318 1.00 1.00 C ATOM 853 CE1 PHE B 18 2.487 2.970 -2.141 1.00 1.00 C ATOM 854 CE2 PHE B 18 4.453 2.320 -3.332 1.00 1.00 C ATOM 855 CZ PHE B 18 3.077 2.389 -3.243 1.00 1.00 C ATOM 0 H PHE B 18 7.653 5.103 -1.314 1.00 1.00 H new ATOM 0 HA PHE B 18 4.945 6.009 -0.530 1.00 1.00 H new ATOM 0 HB2 PHE B 18 6.418 3.397 -0.034 1.00 1.00 H new ATOM 0 HB3 PHE B 18 4.973 3.864 0.841 1.00 1.00 H new ATOM 0 HD1 PHE B 18 2.806 3.933 -0.269 1.00 1.00 H new ATOM 0 HD2 PHE B 18 6.310 2.777 -2.391 1.00 1.00 H new ATOM 0 HE1 PHE B 18 1.411 3.025 -2.069 1.00 1.00 H new ATOM 0 HE2 PHE B 18 4.917 1.865 -4.195 1.00 1.00 H new ATOM 0 HZ PHE B 18 2.463 1.988 -4.036 1.00 1.00 H new ATOM 865 N SER B 19 5.743 5.891 2.067 1.00 1.00 N ATOM 866 CA SER B 19 6.221 6.380 3.347 1.00 1.00 C ATOM 867 C SER B 19 5.637 5.559 4.493 1.00 1.00 C ATOM 868 O SER B 19 6.278 5.365 5.527 1.00 1.00 O ATOM 869 CB SER B 19 5.866 7.861 3.504 1.00 1.00 C ATOM 870 OG SER B 19 6.467 8.637 2.474 1.00 1.00 O ATOM 0 H SER B 19 4.822 5.454 2.098 1.00 1.00 H new ATOM 0 HA SER B 19 7.305 6.274 3.380 1.00 1.00 H new ATOM 0 HB2 SER B 19 4.784 7.985 3.474 1.00 1.00 H new ATOM 0 HB3 SER B 19 6.201 8.219 4.478 1.00 1.00 H new ATOM 0 HG SER B 19 6.226 9.580 2.592 1.00 1.00 H new ATOM 876 N SER B 20 4.427 5.065 4.305 1.00 1.00 N ATOM 877 CA SER B 20 3.773 4.264 5.317 1.00 1.00 C ATOM 878 C SER B 20 3.980 2.778 5.033 1.00 1.00 C ATOM 879 O SER B 20 3.769 2.311 3.912 1.00 1.00 O ATOM 880 CB SER B 20 2.283 4.602 5.366 1.00 1.00 C ATOM 881 OG SER B 20 2.075 6.006 5.288 1.00 1.00 O ATOM 0 H SER B 20 3.878 5.206 3.457 1.00 1.00 H new ATOM 0 HA SER B 20 4.214 4.490 6.288 1.00 1.00 H new ATOM 0 HB2 SER B 20 1.767 4.108 4.542 1.00 1.00 H new ATOM 0 HB3 SER B 20 1.850 4.218 6.289 1.00 1.00 H new ATOM 0 HG SER B 20 1.648 6.227 4.434 1.00 1.00 H new ATOM 887 N PRO B 21 4.416 2.015 6.044 1.00 1.00 N ATOM 888 CA PRO B 21 4.648 0.577 5.898 1.00 1.00 C ATOM 889 C PRO B 21 3.347 -0.191 5.692 1.00 1.00 C ATOM 890 O PRO B 21 3.323 -1.224 5.030 1.00 1.00 O ATOM 891 CB PRO B 21 5.303 0.177 7.224 1.00 1.00 C ATOM 892 CG PRO B 21 4.884 1.227 8.196 1.00 1.00 C ATOM 893 CD PRO B 21 4.735 2.495 7.403 1.00 1.00 C ATOM 0 HA PRO B 21 5.261 0.349 5.026 1.00 1.00 H new ATOM 0 HB2 PRO B 21 4.973 -0.811 7.544 1.00 1.00 H new ATOM 0 HB3 PRO B 21 6.388 0.136 7.131 1.00 1.00 H new ATOM 0 HG2 PRO B 21 3.945 0.958 8.680 1.00 1.00 H new ATOM 0 HG3 PRO B 21 5.627 1.346 8.985 1.00 1.00 H new ATOM 0 HD2 PRO B 21 3.942 3.127 7.802 1.00 1.00 H new ATOM 0 HD3 PRO B 21 5.651 3.086 7.415 1.00 1.00 H new ATOM 901 N SER B 22 2.266 0.331 6.256 1.00 1.00 N ATOM 902 CA SER B 22 0.957 -0.296 6.144 1.00 1.00 C ATOM 903 C SER B 22 0.458 -0.313 4.697 1.00 1.00 C ATOM 904 O SER B 22 -0.264 -1.221 4.289 1.00 1.00 O ATOM 905 CB SER B 22 -0.034 0.439 7.043 1.00 1.00 C ATOM 906 OG SER B 22 0.597 0.848 8.248 1.00 1.00 O ATOM 0 H SER B 22 2.271 1.194 6.800 1.00 1.00 H new ATOM 0 HA SER B 22 1.044 -1.334 6.466 1.00 1.00 H new ATOM 0 HB2 SER B 22 -0.432 1.309 6.521 1.00 1.00 H new ATOM 0 HB3 SER B 22 -0.879 -0.211 7.270 1.00 1.00 H new ATOM 0 HG SER B 22 -0.051 1.319 8.813 1.00 1.00 H new ATOM 912 N THR B 23 0.852 0.684 3.924 1.00 1.00 N ATOM 913 CA THR B 23 0.446 0.769 2.534 1.00 1.00 C ATOM 914 C THR B 23 1.389 -0.033 1.648 1.00 1.00 C ATOM 915 O THR B 23 0.948 -0.814 0.799 1.00 1.00 O ATOM 916 CB THR B 23 0.407 2.231 2.075 1.00 1.00 C ATOM 917 OG1 THR B 23 1.289 3.015 2.887 1.00 1.00 O ATOM 918 CG2 THR B 23 -1.002 2.772 2.186 1.00 1.00 C ATOM 0 H THR B 23 1.453 1.446 4.237 1.00 1.00 H new ATOM 0 HA THR B 23 -0.555 0.347 2.446 1.00 1.00 H new ATOM 0 HB THR B 23 0.728 2.285 1.035 1.00 1.00 H new ATOM 0 HG1 THR B 23 2.154 2.561 2.962 1.00 1.00 H new ATOM 0 HG21 THR B 23 -1.020 3.811 1.858 1.00 1.00 H new ATOM 0 HG22 THR B 23 -1.669 2.182 1.558 1.00 1.00 H new ATOM 0 HG23 THR B 23 -1.334 2.713 3.223 1.00 1.00 H new ATOM 926 N LEU B 24 2.689 0.135 1.884 1.00 1.00 N ATOM 927 CA LEU B 24 3.712 -0.573 1.122 1.00 1.00 C ATOM 928 C LEU B 24 3.572 -2.083 1.309 1.00 1.00 C ATOM 929 O LEU B 24 3.943 -2.864 0.433 1.00 1.00 O ATOM 930 CB LEU B 24 5.108 -0.114 1.559 1.00 1.00 C ATOM 931 CG LEU B 24 6.276 -0.681 0.747 1.00 1.00 C ATOM 932 CD1 LEU B 24 6.142 -0.303 -0.724 1.00 1.00 C ATOM 933 CD2 LEU B 24 7.599 -0.181 1.310 1.00 1.00 C ATOM 0 H LEU B 24 3.059 0.759 2.601 1.00 1.00 H new ATOM 0 HA LEU B 24 3.578 -0.342 0.065 1.00 1.00 H new ATOM 0 HB2 LEU B 24 5.146 0.974 1.506 1.00 1.00 H new ATOM 0 HB3 LEU B 24 5.250 -0.387 2.605 1.00 1.00 H new ATOM 0 HG LEU B 24 6.255 -1.768 0.821 1.00 1.00 H new ATOM 0 HD11 LEU B 24 6.982 -0.715 -1.284 1.00 1.00 H new ATOM 0 HD12 LEU B 24 5.210 -0.706 -1.120 1.00 1.00 H new ATOM 0 HD13 LEU B 24 6.139 0.783 -0.822 1.00 1.00 H new ATOM 0 HD21 LEU B 24 8.422 -0.591 0.724 1.00 1.00 H new ATOM 0 HD22 LEU B 24 7.627 0.908 1.262 1.00 1.00 H new ATOM 0 HD23 LEU B 24 7.697 -0.501 2.347 1.00 1.00 H new ATOM 945 N GLU B 25 3.026 -2.478 2.455 1.00 1.00 N ATOM 946 CA GLU B 25 2.814 -3.885 2.778 1.00 1.00 C ATOM 947 C GLU B 25 1.957 -4.568 1.714 1.00 1.00 C ATOM 948 O GLU B 25 2.345 -5.592 1.156 1.00 1.00 O ATOM 949 CB GLU B 25 2.144 -4.006 4.148 1.00 1.00 C ATOM 950 CG GLU B 25 1.927 -5.438 4.605 1.00 1.00 C ATOM 951 CD GLU B 25 1.391 -5.514 6.017 1.00 1.00 C ATOM 952 OE1 GLU B 25 0.210 -5.178 6.229 1.00 1.00 O ATOM 953 OE2 GLU B 25 2.149 -5.910 6.924 1.00 1.00 O ATOM 0 H GLU B 25 2.719 -1.834 3.184 1.00 1.00 H new ATOM 0 HA GLU B 25 3.784 -4.382 2.804 1.00 1.00 H new ATOM 0 HB2 GLU B 25 2.755 -3.488 4.887 1.00 1.00 H new ATOM 0 HB3 GLU B 25 1.181 -3.496 4.117 1.00 1.00 H new ATOM 0 HG2 GLU B 25 1.231 -5.932 3.927 1.00 1.00 H new ATOM 0 HG3 GLU B 25 2.869 -5.983 4.546 1.00 1.00 H new ATOM 960 N ALA B 26 0.800 -3.986 1.423 1.00 1.00 N ATOM 961 CA ALA B 26 -0.095 -4.549 0.421 1.00 1.00 C ATOM 962 C ALA B 26 0.457 -4.309 -0.977 1.00 1.00 C ATOM 963 O ALA B 26 0.313 -5.148 -1.862 1.00 1.00 O ATOM 964 CB ALA B 26 -1.490 -3.970 0.554 1.00 1.00 C ATOM 0 H ALA B 26 0.462 -3.130 1.863 1.00 1.00 H new ATOM 0 HA ALA B 26 -0.161 -5.624 0.587 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -2.139 -4.406 -0.205 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -1.886 -4.198 1.544 1.00 1.00 H new ATOM 0 HB3 ALA B 26 -1.450 -2.889 0.419 1.00 1.00 H new ATOM 970 N HIS B 27 1.074 -3.153 -1.178 1.00 1.00 N ATOM 971 CA HIS B 27 1.671 -2.831 -2.473 1.00 1.00 C ATOM 972 C HIS B 27 2.664 -3.920 -2.890 1.00 1.00 C ATOM 973 O HIS B 27 2.650 -4.374 -4.029 1.00 1.00 O ATOM 974 CB HIS B 27 2.363 -1.462 -2.433 1.00 1.00 C ATOM 975 CG HIS B 27 3.062 -1.099 -3.712 1.00 1.00 C ATOM 976 ND1 HIS B 27 4.317 -1.398 -4.133 1.00 1.00 N flip ATOM 977 CD2 HIS B 27 2.489 -0.359 -4.725 1.00 1.00 C flip ATOM 978 CE1 HIS B 27 4.520 -0.852 -5.394 1.00 1.00 C flip ATOM 979 NE2 HIS B 27 3.399 -0.235 -5.705 1.00 1.00 N flip ATOM 0 H HIS B 27 1.176 -2.426 -0.470 1.00 1.00 H new ATOM 0 HA HIS B 27 0.872 -2.786 -3.213 1.00 1.00 H new ATOM 0 HB2 HIS B 27 1.621 -0.697 -2.205 1.00 1.00 H new ATOM 0 HB3 HIS B 27 3.088 -1.455 -1.619 1.00 1.00 H new ATOM 0 HD1 HIS B 27 5.003 -1.939 -3.606 1.00 1.00 H new ATOM 0 HD2 HIS B 27 1.488 0.048 -4.729 1.00 1.00 H new ATOM 0 HE1 HIS B 27 5.414 -0.920 -5.996 1.00 1.00 H new ATOM 987 N GLN B 28 3.488 -4.366 -1.949 1.00 1.00 N ATOM 988 CA GLN B 28 4.487 -5.402 -2.221 1.00 1.00 C ATOM 989 C GLN B 28 3.854 -6.794 -2.226 1.00 1.00 C ATOM 990 O GLN B 28 4.545 -7.807 -2.088 1.00 1.00 O ATOM 991 CB GLN B 28 5.606 -5.338 -1.180 1.00 1.00 C ATOM 992 CG GLN B 28 6.467 -4.092 -1.293 1.00 1.00 C ATOM 993 CD GLN B 28 7.873 -4.394 -1.766 1.00 1.00 C ATOM 994 OE1 GLN B 28 8.774 -4.638 -0.961 1.00 1.00 O ATOM 995 NE2 GLN B 28 8.073 -4.383 -3.072 1.00 1.00 N ATOM 0 H GLN B 28 3.487 -4.027 -0.987 1.00 1.00 H new ATOM 0 HA GLN B 28 4.905 -5.217 -3.211 1.00 1.00 H new ATOM 0 HB2 GLN B 28 5.167 -5.378 -0.183 1.00 1.00 H new ATOM 0 HB3 GLN B 28 6.240 -6.219 -1.284 1.00 1.00 H new ATOM 0 HG2 GLN B 28 5.998 -3.393 -1.985 1.00 1.00 H new ATOM 0 HG3 GLN B 28 6.513 -3.598 -0.323 1.00 1.00 H new ATOM 0 HE21 GLN B 28 7.300 -4.176 -3.705 1.00 1.00 H new ATOM 0 HE22 GLN B 28 9.000 -4.581 -3.448 1.00 1.00 H new ATOM 1004 N ALA B 29 2.540 -6.833 -2.370 1.00 1.00 N ATOM 1005 CA ALA B 29 1.803 -8.083 -2.408 1.00 1.00 C ATOM 1006 C ALA B 29 0.862 -8.120 -3.609 1.00 1.00 C ATOM 1007 O ALA B 29 0.547 -9.186 -4.133 1.00 1.00 O ATOM 1008 CB ALA B 29 1.014 -8.267 -1.122 1.00 1.00 C ATOM 0 H ALA B 29 1.957 -6.002 -2.463 1.00 1.00 H new ATOM 0 HA ALA B 29 2.519 -8.899 -2.505 1.00 1.00 H new ATOM 0 HB1 ALA B 29 0.466 -9.208 -1.163 1.00 1.00 H new ATOM 0 HB2 ALA B 29 1.699 -8.283 -0.274 1.00 1.00 H new ATOM 0 HB3 ALA B 29 0.311 -7.442 -1.005 1.00 1.00 H new ATOM 1014 N TYR B 30 0.401 -6.952 -4.033 1.00 1.00 N ATOM 1015 CA TYR B 30 -0.512 -6.864 -5.164 1.00 1.00 C ATOM 1016 C TYR B 30 0.166 -6.234 -6.377 1.00 1.00 C ATOM 1017 O TYR B 30 -0.239 -6.476 -7.513 1.00 1.00 O ATOM 1018 CB TYR B 30 -1.757 -6.064 -4.785 1.00 1.00 C ATOM 1019 CG TYR B 30 -2.588 -6.702 -3.691 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -2.224 -6.580 -2.358 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -3.733 -7.428 -3.992 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -2.974 -7.157 -1.356 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -4.491 -8.009 -2.993 1.00 1.00 C ATOM 1024 CZ TYR B 30 -4.105 -7.870 -1.675 1.00 1.00 C ATOM 1025 OH TYR B 30 -4.849 -8.449 -0.673 1.00 1.00 O ATOM 0 H TYR B 30 0.643 -6.055 -3.613 1.00 1.00 H new ATOM 0 HA TYR B 30 -0.809 -7.878 -5.430 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -1.453 -5.068 -4.462 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -2.378 -5.936 -5.671 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -1.336 -6.022 -2.100 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -4.036 -7.540 -5.023 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -2.674 -7.049 -0.324 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -5.380 -8.569 -3.242 1.00 1.00 H new ATOM 0 HH TYR B 30 -4.352 -8.405 0.171 1.00 1.00 H new ATOM 1035 N TYR B 31 1.192 -5.428 -6.138 1.00 1.00 N ATOM 1036 CA TYR B 31 1.917 -4.776 -7.220 1.00 1.00 C ATOM 1037 C TYR B 31 3.229 -5.504 -7.479 1.00 1.00 C ATOM 1038 O TYR B 31 3.382 -6.171 -8.506 1.00 1.00 O ATOM 1039 CB TYR B 31 2.174 -3.306 -6.880 1.00 1.00 C ATOM 1040 CG TYR B 31 2.299 -2.400 -8.088 1.00 1.00 C ATOM 1041 CD1 TYR B 31 3.454 -2.389 -8.863 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.264 -1.545 -8.446 1.00 1.00 C ATOM 1043 CE1 TYR B 31 3.571 -1.553 -9.957 1.00 1.00 C ATOM 1044 CE2 TYR B 31 1.376 -0.704 -9.537 1.00 1.00 C ATOM 1045 CZ TYR B 31 2.531 -0.713 -10.288 1.00 1.00 C ATOM 1046 OH TYR B 31 2.646 0.123 -11.375 1.00 1.00 O ATOM 0 H TYR B 31 1.541 -5.210 -5.205 1.00 1.00 H new ATOM 0 HA TYR B 31 1.311 -4.816 -8.125 1.00 1.00 H new ATOM 0 HB2 TYR B 31 1.361 -2.943 -6.251 1.00 1.00 H new ATOM 0 HB3 TYR B 31 3.089 -3.236 -6.291 1.00 1.00 H new ATOM 0 HD1 TYR B 31 4.273 -3.045 -8.605 1.00 1.00 H new ATOM 0 HD2 TYR B 31 0.356 -1.537 -7.861 1.00 1.00 H new ATOM 0 HE1 TYR B 31 4.474 -1.558 -10.550 1.00 1.00 H new ATOM 0 HE2 TYR B 31 0.563 -0.044 -9.799 1.00 1.00 H new ATOM 0 HH TYR B 31 1.825 0.649 -11.472 1.00 1.00 H new ATOM 1056 N CYS B 32 4.176 -5.373 -6.556 1.00 1.00 N ATOM 1057 CA CYS B 32 5.452 -6.047 -6.686 1.00 1.00 C ATOM 1058 C CYS B 32 5.305 -7.506 -6.256 1.00 1.00 C ATOM 1059 O CYS B 32 5.323 -7.809 -5.064 1.00 1.00 O ATOM 1060 CB CYS B 32 6.518 -5.340 -5.842 1.00 1.00 C ATOM 1061 SG CYS B 32 6.037 -3.676 -5.262 1.00 1.00 S ATOM 0 H CYS B 32 4.079 -4.806 -5.713 1.00 1.00 H new ATOM 0 HA CYS B 32 5.770 -6.015 -7.728 1.00 1.00 H new ATOM 0 HB2 CYS B 32 6.750 -5.961 -4.976 1.00 1.00 H new ATOM 0 HB3 CYS B 32 7.433 -5.257 -6.429 1.00 1.00 H new ATOM 0 HG CYS B 32 6.364 -2.793 -6.158 1.00 1.00 H new ATOM 1066 N SER B 33 5.137 -8.390 -7.240 1.00 1.00 N ATOM 1067 CA SER B 33 4.964 -9.826 -7.001 1.00 1.00 C ATOM 1068 C SER B 33 3.574 -10.117 -6.425 1.00 1.00 C ATOM 1069 O SER B 33 3.257 -9.739 -5.299 1.00 1.00 O ATOM 1070 CB SER B 33 6.064 -10.377 -6.081 1.00 1.00 C ATOM 1071 OG SER B 33 7.351 -10.163 -6.643 1.00 1.00 O ATOM 0 H SER B 33 5.117 -8.132 -8.227 1.00 1.00 H new ATOM 0 HA SER B 33 5.050 -10.336 -7.961 1.00 1.00 H new ATOM 0 HB2 SER B 33 6.004 -9.893 -5.106 1.00 1.00 H new ATOM 0 HB3 SER B 33 5.907 -11.443 -5.918 1.00 1.00 H new ATOM 0 HG SER B 33 8.035 -10.520 -6.039 1.00 1.00 H new ATOM 1077 N HIS B 34 2.750 -10.796 -7.214 1.00 1.00 N ATOM 1078 CA HIS B 34 1.388 -11.124 -6.808 1.00 1.00 C ATOM 1079 C HIS B 34 1.364 -12.181 -5.709 1.00 1.00 C ATOM 1080 O HIS B 34 1.827 -13.305 -5.898 1.00 1.00 O ATOM 1081 CB HIS B 34 0.579 -11.610 -8.012 1.00 1.00 C ATOM 1082 CG HIS B 34 0.198 -10.518 -8.962 1.00 1.00 C ATOM 1083 ND1 HIS B 34 0.480 -10.558 -10.311 1.00 1.00 N ATOM 1084 CD2 HIS B 34 -0.449 -9.351 -8.750 1.00 1.00 C ATOM 1085 CE1 HIS B 34 0.024 -9.463 -10.887 1.00 1.00 C ATOM 1086 NE2 HIS B 34 -0.545 -8.715 -9.960 1.00 1.00 N ATOM 0 H HIS B 34 3.003 -11.132 -8.143 1.00 1.00 H new ATOM 0 HA HIS B 34 0.938 -10.215 -6.409 1.00 1.00 H new ATOM 0 HB2 HIS B 34 1.159 -12.361 -8.549 1.00 1.00 H new ATOM 0 HB3 HIS B 34 -0.326 -12.102 -7.656 1.00 1.00 H new ATOM 0 HD2 HIS B 34 -0.821 -8.987 -7.804 1.00 1.00 H new ATOM 0 HE1 HIS B 34 0.103 -9.220 -11.936 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -0.986 -7.809 -10.119 1.00 1.00 H new