USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 479 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 223 HIS HD1 : A 223 HIS ND1 : A 250 ZNZN :(H bumps) USER MOD Set 1.1: A 212 CYS SG : rot 150:sc= -1.44 USER MOD Set 1.2: A 214 ASN :FLIP amide:sc= 0.429 F(o=0.62,f=1.5) USER MOD Set 1.3: A 239 CYS SG : rot -70:sc= 1.16 USER MOD Set 1.4: A 242 CYS SG : rot -130:sc= 1.37 USER MOD Set 2.1: A 199 CYS SG : rot 10:sc= -1.74! USER MOD Set 2.2: A 203 GLN : amide:sc= -0.0635 K(o=-1.8,f=-2.8) USER MOD Set 3.1: A 197 THR OG1 : rot 148:sc= 0.113 USER MOD Set 3.2: A 202 HIS : no HD1:sc= 0.101 K(o=0.21,f=-0.38) USER MOD Single : A 187 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 189 MET CE :methyl 173:sc= 0 (180deg=-0.0794) USER MOD Single : A 194 ASN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 SER OG : rot 180:sc= 0.00429 USER MOD Single : A 206 TYR OH : rot 1:sc= 0 USER MOD Single : A 209 MET CE :methyl -170:sc= -0.335 (180deg=-0.659) USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 226 CYS SG : rot 97:sc= 0.00297 USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ -173:sc=-0.000341 (180deg=-0.0537) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 247 LYS NZ :NH3+ -143:sc= -0.0512 (180deg=-0.858) USER MOD Single : A 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 249 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0177) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 4.373 2.029 -8.858 1.00 0.00 N ATOM 2 CA MET A 187 4.201 1.163 -7.673 1.00 0.00 C ATOM 3 C MET A 187 5.552 0.652 -7.174 1.00 0.00 C ATOM 4 O MET A 187 6.499 0.556 -7.954 1.00 0.00 O ATOM 5 CB MET A 187 3.254 -0.014 -7.963 1.00 0.00 C ATOM 6 CG MET A 187 1.860 0.447 -8.407 1.00 0.00 C ATOM 7 SD MET A 187 1.030 1.576 -7.255 1.00 0.00 S ATOM 8 CE MET A 187 -0.486 1.895 -8.192 1.00 0.00 C ATOM 0 HA MET A 187 3.747 1.769 -6.889 1.00 0.00 H new ATOM 0 HB2 MET A 187 3.689 -0.643 -8.740 1.00 0.00 H new ATOM 0 HB3 MET A 187 3.161 -0.630 -7.069 1.00 0.00 H new ATOM 0 HG2 MET A 187 1.947 0.938 -9.376 1.00 0.00 H new ATOM 0 HG3 MET A 187 1.231 -0.431 -8.550 1.00 0.00 H new ATOM 0 HE1 MET A 187 -1.124 2.577 -7.630 1.00 0.00 H new ATOM 0 HE2 MET A 187 -0.232 2.343 -9.153 1.00 0.00 H new ATOM 0 HE3 MET A 187 -1.015 0.957 -8.358 1.00 0.00 H new ATOM 20 N ASP A 188 5.619 0.331 -5.872 1.00 0.00 N ATOM 21 CA ASP A 188 6.811 -0.178 -5.177 1.00 0.00 C ATOM 22 C ASP A 188 8.050 0.728 -5.345 1.00 0.00 C ATOM 23 O ASP A 188 9.185 0.250 -5.359 1.00 0.00 O ATOM 24 CB ASP A 188 7.060 -1.647 -5.572 1.00 0.00 C ATOM 25 CG ASP A 188 5.809 -2.511 -5.390 1.00 0.00 C ATOM 26 OD1 ASP A 188 5.531 -2.874 -4.226 1.00 0.00 O ATOM 27 OD2 ASP A 188 5.140 -2.777 -6.413 1.00 0.00 O ATOM 0 H ASP A 188 4.814 0.422 -5.252 1.00 0.00 H new ATOM 0 HA ASP A 188 6.615 -0.152 -4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 188 7.384 -1.693 -6.612 1.00 0.00 H new ATOM 0 HB3 ASP A 188 7.871 -2.052 -4.967 1.00 0.00 H new ATOM 32 N MET A 189 7.817 2.038 -5.517 1.00 0.00 N ATOM 33 CA MET A 189 8.827 3.042 -5.836 1.00 0.00 C ATOM 34 C MET A 189 9.778 3.293 -4.646 1.00 0.00 C ATOM 35 O MET A 189 9.372 3.109 -3.498 1.00 0.00 O ATOM 36 CB MET A 189 8.112 4.339 -6.252 1.00 0.00 C ATOM 37 CG MET A 189 7.302 4.163 -7.544 1.00 0.00 C ATOM 38 SD MET A 189 6.312 5.600 -8.039 1.00 0.00 S ATOM 39 CE MET A 189 7.616 6.808 -8.396 1.00 0.00 C ATOM 0 H MET A 189 6.882 2.436 -5.433 1.00 0.00 H new ATOM 0 HA MET A 189 9.445 2.679 -6.657 1.00 0.00 H new ATOM 0 HB2 MET A 189 7.448 4.660 -5.449 1.00 0.00 H new ATOM 0 HB3 MET A 189 8.849 5.130 -6.392 1.00 0.00 H new ATOM 0 HG2 MET A 189 7.989 3.919 -8.354 1.00 0.00 H new ATOM 0 HG3 MET A 189 6.637 3.308 -7.423 1.00 0.00 H new ATOM 0 HE1 MET A 189 7.173 7.704 -8.831 1.00 0.00 H new ATOM 0 HE2 MET A 189 8.132 7.071 -7.472 1.00 0.00 H new ATOM 0 HE3 MET A 189 8.329 6.377 -9.099 1.00 0.00 H new ATOM 49 N PRO A 190 11.029 3.741 -4.896 1.00 0.00 N ATOM 50 CA PRO A 190 12.074 3.916 -3.881 1.00 0.00 C ATOM 51 C PRO A 190 11.945 5.232 -3.079 1.00 0.00 C ATOM 52 O PRO A 190 12.955 5.794 -2.654 1.00 0.00 O ATOM 53 CB PRO A 190 13.386 3.821 -4.676 1.00 0.00 C ATOM 54 CG PRO A 190 13.017 4.476 -6.003 1.00 0.00 C ATOM 55 CD PRO A 190 11.594 3.970 -6.223 1.00 0.00 C ATOM 0 HA PRO A 190 12.008 3.158 -3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 190 14.201 4.345 -4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 190 13.706 2.788 -4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 190 13.059 5.564 -5.946 1.00 0.00 H new ATOM 0 HG3 PRO A 190 13.687 4.173 -6.808 1.00 0.00 H new ATOM 0 HD2 PRO A 190 11.003 4.700 -6.776 1.00 0.00 H new ATOM 0 HD3 PRO A 190 11.595 3.051 -6.809 1.00 0.00 H new ATOM 63 N VAL A 191 10.717 5.735 -2.880 1.00 0.00 N ATOM 64 CA VAL A 191 10.416 7.001 -2.223 1.00 0.00 C ATOM 65 C VAL A 191 9.502 6.751 -1.018 1.00 0.00 C ATOM 66 O VAL A 191 8.286 6.611 -1.146 1.00 0.00 O ATOM 67 CB VAL A 191 9.838 8.023 -3.226 1.00 0.00 C ATOM 68 CG1 VAL A 191 10.969 8.661 -4.048 1.00 0.00 C ATOM 69 CG2 VAL A 191 8.779 7.466 -4.196 1.00 0.00 C ATOM 0 H VAL A 191 9.877 5.245 -3.188 1.00 0.00 H new ATOM 0 HA VAL A 191 11.336 7.446 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 191 9.327 8.758 -2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 191 10.547 9.379 -4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 191 11.662 9.172 -3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 191 11.501 7.885 -4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 191 8.437 8.262 -4.858 1.00 0.00 H new ATOM 0 HG22 VAL A 191 9.216 6.663 -4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 191 7.933 7.078 -3.628 1.00 0.00 H new ATOM 79 N ASP A 192 10.129 6.680 0.162 1.00 0.00 N ATOM 80 CA ASP A 192 9.475 6.482 1.452 1.00 0.00 C ATOM 81 C ASP A 192 8.659 7.718 1.878 1.00 0.00 C ATOM 82 O ASP A 192 8.987 8.835 1.471 1.00 0.00 O ATOM 83 CB ASP A 192 10.553 6.184 2.506 1.00 0.00 C ATOM 84 CG ASP A 192 11.269 4.862 2.225 1.00 0.00 C ATOM 85 OD1 ASP A 192 10.690 3.815 2.589 1.00 0.00 O ATOM 86 OD2 ASP A 192 12.373 4.921 1.642 1.00 0.00 O ATOM 0 H ASP A 192 11.142 6.762 0.243 1.00 0.00 H new ATOM 0 HA ASP A 192 8.779 5.647 1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 192 11.280 6.996 2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 192 10.095 6.147 3.494 1.00 0.00 H new ATOM 91 N PRO A 193 7.647 7.553 2.756 1.00 0.00 N ATOM 92 CA PRO A 193 6.927 8.661 3.387 1.00 0.00 C ATOM 93 C PRO A 193 7.762 9.391 4.461 1.00 0.00 C ATOM 94 O PRO A 193 7.260 10.327 5.082 1.00 0.00 O ATOM 95 CB PRO A 193 5.670 8.020 3.986 1.00 0.00 C ATOM 96 CG PRO A 193 6.143 6.617 4.357 1.00 0.00 C ATOM 97 CD PRO A 193 7.117 6.279 3.229 1.00 0.00 C ATOM 0 HA PRO A 193 6.692 9.439 2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 193 5.313 8.569 4.857 1.00 0.00 H new ATOM 0 HB3 PRO A 193 4.850 7.993 3.269 1.00 0.00 H new ATOM 0 HG2 PRO A 193 6.631 6.599 5.332 1.00 0.00 H new ATOM 0 HG3 PRO A 193 5.315 5.910 4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 193 7.918 5.632 3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 193 6.611 5.745 2.425 1.00 0.00 H new ATOM 105 N ASN A 194 9.013 8.956 4.691 1.00 0.00 N ATOM 106 CA ASN A 194 9.981 9.537 5.616 1.00 0.00 C ATOM 107 C ASN A 194 10.497 10.883 5.076 1.00 0.00 C ATOM 108 O ASN A 194 11.568 10.956 4.471 1.00 0.00 O ATOM 109 CB ASN A 194 11.124 8.528 5.865 1.00 0.00 C ATOM 110 CG ASN A 194 10.681 7.131 6.319 1.00 0.00 C ATOM 111 OD1 ASN A 194 11.387 6.156 6.083 1.00 0.00 O ATOM 112 ND2 ASN A 194 9.525 7.005 6.970 1.00 0.00 N ATOM 0 H ASN A 194 9.390 8.142 4.205 1.00 0.00 H new ATOM 0 HA ASN A 194 9.502 9.743 6.573 1.00 0.00 H new ATOM 0 HB2 ASN A 194 11.703 8.427 4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 194 11.793 8.942 6.620 1.00 0.00 H new ATOM 0 HD21 ASN A 194 9.213 6.085 7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 194 8.952 7.828 7.156 1.00 0.00 H new ATOM 119 N GLU A 195 9.699 11.941 5.266 1.00 0.00 N ATOM 120 CA GLU A 195 9.894 13.258 4.669 1.00 0.00 C ATOM 121 C GLU A 195 9.298 14.323 5.611 1.00 0.00 C ATOM 122 O GLU A 195 8.205 14.107 6.140 1.00 0.00 O ATOM 123 CB GLU A 195 9.187 13.256 3.300 1.00 0.00 C ATOM 124 CG GLU A 195 9.421 14.539 2.495 1.00 0.00 C ATOM 125 CD GLU A 195 8.723 14.476 1.135 1.00 0.00 C ATOM 126 OE1 GLU A 195 7.472 14.512 1.129 1.00 0.00 O ATOM 127 OE2 GLU A 195 9.450 14.406 0.120 1.00 0.00 O ATOM 0 H GLU A 195 8.872 11.897 5.861 1.00 0.00 H new ATOM 0 HA GLU A 195 10.950 13.488 4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 195 9.537 12.402 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 195 8.116 13.121 3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 195 9.051 15.396 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 195 10.491 14.690 2.351 1.00 0.00 H new ATOM 134 N PRO A 196 9.979 15.466 5.840 1.00 0.00 N ATOM 135 CA PRO A 196 9.524 16.488 6.779 1.00 0.00 C ATOM 136 C PRO A 196 8.323 17.286 6.249 1.00 0.00 C ATOM 137 O PRO A 196 8.069 17.343 5.045 1.00 0.00 O ATOM 138 CB PRO A 196 10.740 17.389 7.023 1.00 0.00 C ATOM 139 CG PRO A 196 11.531 17.273 5.722 1.00 0.00 C ATOM 140 CD PRO A 196 11.284 15.826 5.301 1.00 0.00 C ATOM 0 HA PRO A 196 9.164 16.034 7.702 1.00 0.00 H new ATOM 0 HB2 PRO A 196 10.444 18.419 7.223 1.00 0.00 H new ATOM 0 HB3 PRO A 196 11.324 17.053 7.880 1.00 0.00 H new ATOM 0 HG2 PRO A 196 11.178 17.979 4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.591 17.474 5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.298 15.728 4.215 1.00 0.00 H new ATOM 0 HD3 PRO A 196 12.061 15.169 5.690 1.00 0.00 H new ATOM 148 N THR A 197 7.601 17.925 7.180 1.00 0.00 N ATOM 149 CA THR A 197 6.395 18.709 6.943 1.00 0.00 C ATOM 150 C THR A 197 6.367 19.901 7.910 1.00 0.00 C ATOM 151 O THR A 197 7.180 19.987 8.833 1.00 0.00 O ATOM 152 CB THR A 197 5.128 17.840 7.127 1.00 0.00 C ATOM 153 OG1 THR A 197 4.944 17.474 8.482 1.00 0.00 O ATOM 154 CG2 THR A 197 5.117 16.562 6.280 1.00 0.00 C ATOM 0 H THR A 197 7.861 17.904 8.166 1.00 0.00 H new ATOM 0 HA THR A 197 6.406 19.073 5.916 1.00 0.00 H new ATOM 0 HB THR A 197 4.311 18.476 6.785 1.00 0.00 H new ATOM 0 HG1 THR A 197 3.986 17.398 8.673 1.00 0.00 H new ATOM 0 HG21 THR A 197 4.196 16.010 6.467 1.00 0.00 H new ATOM 0 HG22 THR A 197 5.175 16.825 5.224 1.00 0.00 H new ATOM 0 HG23 THR A 197 5.973 15.941 6.547 1.00 0.00 H new ATOM 162 N TYR A 198 5.391 20.795 7.714 1.00 0.00 N ATOM 163 CA TYR A 198 5.215 21.996 8.535 1.00 0.00 C ATOM 164 C TYR A 198 3.747 22.298 8.868 1.00 0.00 C ATOM 165 O TYR A 198 3.416 22.434 10.039 1.00 0.00 O ATOM 166 CB TYR A 198 5.871 23.186 7.814 1.00 0.00 C ATOM 167 CG TYR A 198 7.380 23.287 7.945 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.979 23.287 9.221 1.00 0.00 C ATOM 169 CD2 TYR A 198 8.183 23.441 6.798 1.00 0.00 C ATOM 170 CE1 TYR A 198 9.369 23.439 9.356 1.00 0.00 C ATOM 171 CE2 TYR A 198 9.575 23.597 6.925 1.00 0.00 C ATOM 172 CZ TYR A 198 10.174 23.598 8.205 1.00 0.00 C ATOM 173 OH TYR A 198 11.522 23.758 8.332 1.00 0.00 O ATOM 0 H TYR A 198 4.695 20.703 6.974 1.00 0.00 H new ATOM 0 HA TYR A 198 5.699 21.818 9.495 1.00 0.00 H new ATOM 0 HB2 TYR A 198 5.620 23.128 6.755 1.00 0.00 H new ATOM 0 HB3 TYR A 198 5.430 24.106 8.196 1.00 0.00 H new ATOM 0 HD1 TYR A 198 7.365 23.169 10.101 1.00 0.00 H new ATOM 0 HD2 TYR A 198 7.729 23.439 5.818 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.821 23.434 10.337 1.00 0.00 H new ATOM 0 HE2 TYR A 198 10.187 23.716 6.043 1.00 0.00 H new ATOM 0 HH TYR A 198 11.925 23.853 7.444 1.00 0.00 H new ATOM 183 N CYS A 199 2.878 22.394 7.858 1.00 0.00 N ATOM 184 CA CYS A 199 1.445 22.640 7.918 1.00 0.00 C ATOM 185 C CYS A 199 0.655 21.472 8.516 1.00 0.00 C ATOM 186 O CYS A 199 1.144 20.343 8.564 1.00 0.00 O ATOM 187 CB CYS A 199 0.954 22.886 6.483 1.00 0.00 C ATOM 188 SG CYS A 199 1.690 21.713 5.318 1.00 0.00 S ATOM 0 H CYS A 199 3.194 22.291 6.894 1.00 0.00 H new ATOM 0 HA CYS A 199 1.279 23.499 8.569 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -0.132 22.800 6.450 1.00 0.00 H new ATOM 0 HB3 CYS A 199 1.203 23.904 6.182 1.00 0.00 H new ATOM 0 HG CYS A 199 2.314 20.782 5.976 1.00 0.00 H new ATOM 193 N LEU A 200 -0.614 21.742 8.876 1.00 0.00 N ATOM 194 CA LEU A 200 -1.583 20.688 9.193 1.00 0.00 C ATOM 195 C LEU A 200 -2.031 19.926 7.932 1.00 0.00 C ATOM 196 O LEU A 200 -2.772 18.950 8.039 1.00 0.00 O ATOM 197 CB LEU A 200 -2.764 21.202 10.041 1.00 0.00 C ATOM 198 CG LEU A 200 -3.650 22.280 9.393 1.00 0.00 C ATOM 199 CD1 LEU A 200 -4.545 21.778 8.245 1.00 0.00 C ATOM 200 CD2 LEU A 200 -4.579 22.911 10.444 1.00 0.00 C ATOM 0 H LEU A 200 -0.989 22.688 8.953 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.068 19.963 9.824 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -3.394 20.352 10.301 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -2.367 21.601 10.974 1.00 0.00 H new ATOM 0 HG LEU A 200 -2.942 22.996 8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.132 22.608 7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -3.922 21.366 7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.216 21.004 8.618 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.200 23.672 9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.217 22.140 10.876 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -3.980 23.369 11.231 1.00 0.00 H new ATOM 212 N CYS A 201 -1.595 20.375 6.742 1.00 0.00 N ATOM 213 CA CYS A 201 -1.808 19.700 5.471 1.00 0.00 C ATOM 214 C CYS A 201 -0.833 18.523 5.307 1.00 0.00 C ATOM 215 O CYS A 201 -1.173 17.524 4.677 1.00 0.00 O ATOM 216 CB CYS A 201 -1.596 20.730 4.363 1.00 0.00 C ATOM 217 SG CYS A 201 -2.811 22.076 4.438 1.00 0.00 S ATOM 0 H CYS A 201 -1.070 21.244 6.646 1.00 0.00 H new ATOM 0 HA CYS A 201 -2.817 19.291 5.425 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -0.591 21.145 4.442 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -1.662 20.237 3.393 1.00 0.00 H new ATOM 223 N HIS A 202 0.347 18.644 5.930 1.00 0.00 N ATOM 224 CA HIS A 202 1.360 17.615 6.119 1.00 0.00 C ATOM 225 C HIS A 202 2.089 17.238 4.831 1.00 0.00 C ATOM 226 O HIS A 202 2.166 16.071 4.448 1.00 0.00 O ATOM 227 CB HIS A 202 0.873 16.441 6.984 1.00 0.00 C ATOM 228 CG HIS A 202 0.699 16.837 8.428 1.00 0.00 C ATOM 229 ND1 HIS A 202 1.709 17.163 9.306 1.00 0.00 N ATOM 230 CD2 HIS A 202 -0.481 16.972 9.104 1.00 0.00 C ATOM 231 CE1 HIS A 202 1.140 17.492 10.478 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.198 17.391 10.408 1.00 0.00 N ATOM 0 H HIS A 202 0.633 19.532 6.343 1.00 0.00 H new ATOM 0 HA HIS A 202 2.148 18.063 6.724 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -0.075 16.071 6.593 1.00 0.00 H new ATOM 0 HB3 HIS A 202 1.587 15.620 6.917 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -1.465 16.787 8.700 1.00 0.00 H new ATOM 0 HE1 HIS A 202 1.685 17.797 11.359 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -0.869 17.581 11.152 1.00 0.00 H new ATOM 240 N GLN A 203 2.648 18.270 4.189 1.00 0.00 N ATOM 241 CA GLN A 203 3.616 18.145 3.114 1.00 0.00 C ATOM 242 C GLN A 203 4.754 19.163 3.319 1.00 0.00 C ATOM 243 O GLN A 203 4.689 20.007 4.218 1.00 0.00 O ATOM 244 CB GLN A 203 2.914 18.190 1.744 1.00 0.00 C ATOM 245 CG GLN A 203 2.712 19.574 1.112 1.00 0.00 C ATOM 246 CD GLN A 203 2.032 20.602 2.005 1.00 0.00 C ATOM 247 OE1 GLN A 203 0.897 20.423 2.436 1.00 0.00 O ATOM 248 NE2 GLN A 203 2.729 21.704 2.272 1.00 0.00 N ATOM 0 H GLN A 203 2.427 19.240 4.416 1.00 0.00 H new ATOM 0 HA GLN A 203 4.099 17.168 3.134 1.00 0.00 H new ATOM 0 HB2 GLN A 203 3.490 17.580 1.048 1.00 0.00 H new ATOM 0 HB3 GLN A 203 1.937 17.719 1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 203 3.685 19.964 0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 203 2.121 19.458 0.204 1.00 0.00 H new ATOM 0 HE21 GLN A 203 3.670 21.816 1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 203 2.322 22.436 2.854 1.00 0.00 H new ATOM 257 N VAL A 204 5.812 19.047 2.506 1.00 0.00 N ATOM 258 CA VAL A 204 7.059 19.816 2.621 1.00 0.00 C ATOM 259 C VAL A 204 6.836 21.325 2.377 1.00 0.00 C ATOM 260 O VAL A 204 5.731 21.752 2.042 1.00 0.00 O ATOM 261 CB VAL A 204 8.159 19.253 1.673 1.00 0.00 C ATOM 262 CG1 VAL A 204 9.545 19.304 2.345 1.00 0.00 C ATOM 263 CG2 VAL A 204 7.939 17.798 1.223 1.00 0.00 C ATOM 0 H VAL A 204 5.824 18.393 1.723 1.00 0.00 H new ATOM 0 HA VAL A 204 7.407 19.704 3.648 1.00 0.00 H new ATOM 0 HB VAL A 204 8.101 19.896 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 204 10.295 18.905 1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 204 9.792 20.337 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 204 9.530 18.706 3.256 1.00 0.00 H new ATOM 0 HG21 VAL A 204 8.754 17.493 0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.914 17.147 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 204 6.993 17.722 0.687 1.00 0.00 H new ATOM 273 N SER A 205 7.907 22.114 2.545 1.00 0.00 N ATOM 274 CA SER A 205 7.975 23.577 2.507 1.00 0.00 C ATOM 275 C SER A 205 7.188 24.247 1.374 1.00 0.00 C ATOM 276 O SER A 205 6.998 23.685 0.294 1.00 0.00 O ATOM 277 CB SER A 205 9.445 24.005 2.412 1.00 0.00 C ATOM 278 OG SER A 205 10.213 23.438 3.452 1.00 0.00 O ATOM 0 H SER A 205 8.825 21.707 2.726 1.00 0.00 H new ATOM 0 HA SER A 205 7.501 23.913 3.429 1.00 0.00 H new ATOM 0 HB2 SER A 205 9.853 23.700 1.448 1.00 0.00 H new ATOM 0 HB3 SER A 205 9.513 25.092 2.458 1.00 0.00 H new ATOM 0 HG SER A 205 11.145 23.727 3.365 1.00 0.00 H new ATOM 284 N TYR A 206 6.773 25.492 1.638 1.00 0.00 N ATOM 285 CA TYR A 206 5.872 26.283 0.803 1.00 0.00 C ATOM 286 C TYR A 206 6.218 27.776 0.903 1.00 0.00 C ATOM 287 O TYR A 206 6.835 28.220 1.873 1.00 0.00 O ATOM 288 CB TYR A 206 4.416 25.995 1.212 1.00 0.00 C ATOM 289 CG TYR A 206 4.164 25.870 2.707 1.00 0.00 C ATOM 290 CD1 TYR A 206 3.935 27.011 3.493 1.00 0.00 C ATOM 291 CD2 TYR A 206 4.184 24.601 3.315 1.00 0.00 C ATOM 292 CE1 TYR A 206 3.719 26.889 4.880 1.00 0.00 C ATOM 293 CE2 TYR A 206 3.956 24.464 4.692 1.00 0.00 C ATOM 294 CZ TYR A 206 3.708 25.610 5.479 1.00 0.00 C ATOM 295 OH TYR A 206 3.484 25.486 6.815 1.00 0.00 O ATOM 0 H TYR A 206 7.070 25.993 2.475 1.00 0.00 H new ATOM 0 HA TYR A 206 5.992 26.001 -0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 206 3.784 26.792 0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 206 4.099 25.070 0.730 1.00 0.00 H new ATOM 0 HD1 TYR A 206 3.924 27.987 3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 206 4.377 23.724 2.715 1.00 0.00 H new ATOM 0 HE1 TYR A 206 3.562 27.771 5.483 1.00 0.00 H new ATOM 0 HE2 TYR A 206 3.970 23.486 5.149 1.00 0.00 H new ATOM 0 HH TYR A 206 3.339 26.373 7.206 1.00 0.00 H new ATOM 305 N GLY A 207 5.821 28.538 -0.127 1.00 0.00 N ATOM 306 CA GLY A 207 6.240 29.921 -0.341 1.00 0.00 C ATOM 307 C GLY A 207 5.756 30.917 0.716 1.00 0.00 C ATOM 308 O GLY A 207 6.526 31.796 1.099 1.00 0.00 O ATOM 0 H GLY A 207 5.185 28.197 -0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 207 7.329 29.953 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 207 5.880 30.247 -1.317 1.00 0.00 H new ATOM 312 N GLU A 208 4.516 30.767 1.207 1.00 0.00 N ATOM 313 CA GLU A 208 3.885 31.698 2.131 1.00 0.00 C ATOM 314 C GLU A 208 3.538 30.993 3.441 1.00 0.00 C ATOM 315 O GLU A 208 2.809 30.002 3.446 1.00 0.00 O ATOM 316 CB GLU A 208 2.681 32.335 1.434 1.00 0.00 C ATOM 317 CG GLU A 208 1.482 31.410 1.133 1.00 0.00 C ATOM 318 CD GLU A 208 0.335 32.083 0.370 1.00 0.00 C ATOM 319 OE1 GLU A 208 0.522 33.217 -0.122 1.00 0.00 O ATOM 320 OE2 GLU A 208 -0.735 31.437 0.305 1.00 0.00 O ATOM 0 H GLU A 208 3.919 29.977 0.963 1.00 0.00 H new ATOM 0 HA GLU A 208 4.567 32.503 2.405 1.00 0.00 H new ATOM 0 HB2 GLU A 208 2.327 33.160 2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.022 32.766 0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 208 1.834 30.556 0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 208 1.095 31.020 2.074 1.00 0.00 H new ATOM 327 N MET A 209 4.073 31.507 4.556 1.00 0.00 N ATOM 328 CA MET A 209 4.043 30.788 5.828 1.00 0.00 C ATOM 329 C MET A 209 3.805 31.689 7.040 1.00 0.00 C ATOM 330 O MET A 209 4.408 32.755 7.172 1.00 0.00 O ATOM 331 CB MET A 209 5.384 30.059 6.087 1.00 0.00 C ATOM 332 CG MET A 209 6.140 29.448 4.903 1.00 0.00 C ATOM 333 SD MET A 209 7.643 28.538 5.373 1.00 0.00 S ATOM 334 CE MET A 209 6.967 27.074 6.210 1.00 0.00 C ATOM 0 H MET A 209 4.531 32.418 4.599 1.00 0.00 H new ATOM 0 HA MET A 209 3.210 30.092 5.726 1.00 0.00 H new ATOM 0 HB2 MET A 209 6.054 30.767 6.575 1.00 0.00 H new ATOM 0 HB3 MET A 209 5.191 29.259 6.802 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.472 28.773 4.368 1.00 0.00 H new ATOM 0 HG3 MET A 209 6.412 30.244 4.209 1.00 0.00 H new ATOM 0 HE1 MET A 209 7.775 26.529 6.699 1.00 0.00 H new ATOM 0 HE2 MET A 209 6.237 27.386 6.956 1.00 0.00 H new ATOM 0 HE3 MET A 209 6.484 26.427 5.478 1.00 0.00 H new ATOM 344 N ILE A 210 3.010 31.165 7.978 1.00 0.00 N ATOM 345 CA ILE A 210 2.794 31.708 9.315 1.00 0.00 C ATOM 346 C ILE A 210 2.631 30.561 10.316 1.00 0.00 C ATOM 347 O ILE A 210 2.169 29.483 9.960 1.00 0.00 O ATOM 348 CB ILE A 210 1.581 32.653 9.301 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.473 33.408 10.640 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.269 31.931 8.929 1.00 0.00 C ATOM 351 CD1 ILE A 210 0.610 34.664 10.542 1.00 0.00 C ATOM 0 H ILE A 210 2.477 30.311 7.814 1.00 0.00 H new ATOM 0 HA ILE A 210 3.658 32.294 9.629 1.00 0.00 H new ATOM 0 HB ILE A 210 1.744 33.387 8.512 1.00 0.00 H new ATOM 0 HG12 ILE A 210 1.054 32.742 11.395 1.00 0.00 H new ATOM 0 HG13 ILE A 210 2.472 33.684 10.978 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.554 32.646 8.935 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.363 31.494 7.935 1.00 0.00 H new ATOM 0 HG23 ILE A 210 0.069 31.142 9.654 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.570 35.155 11.514 1.00 0.00 H new ATOM 0 HD12 ILE A 210 1.042 35.346 9.809 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.398 34.389 10.232 1.00 0.00 H new ATOM 363 N GLY A 211 3.002 30.801 11.575 1.00 0.00 N ATOM 364 CA GLY A 211 3.118 29.771 12.597 1.00 0.00 C ATOM 365 C GLY A 211 2.566 30.217 13.943 1.00 0.00 C ATOM 366 O GLY A 211 2.640 31.398 14.287 1.00 0.00 O ATOM 0 H GLY A 211 3.233 31.735 11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 211 2.587 28.877 12.269 1.00 0.00 H new ATOM 0 HA3 GLY A 211 4.166 29.495 12.712 1.00 0.00 H new ATOM 370 N CYS A 212 1.983 29.258 14.680 1.00 0.00 N ATOM 371 CA CYS A 212 1.263 29.567 15.917 1.00 0.00 C ATOM 372 C CYS A 212 2.225 30.007 17.021 1.00 0.00 C ATOM 373 O CYS A 212 3.348 29.519 17.146 1.00 0.00 O ATOM 374 CB CYS A 212 0.336 28.445 16.423 1.00 0.00 C ATOM 375 SG CYS A 212 -0.897 29.147 17.572 1.00 0.00 S ATOM 0 H CYS A 212 1.998 28.267 14.439 1.00 0.00 H new ATOM 0 HA CYS A 212 0.603 30.395 15.656 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -0.166 27.966 15.582 1.00 0.00 H new ATOM 0 HB3 CYS A 212 0.921 27.675 16.926 1.00 0.00 H new ATOM 0 HG CYS A 212 -1.995 28.453 17.508 1.00 0.00 H new ATOM 380 N ASP A 213 1.707 30.928 17.830 1.00 0.00 N ATOM 381 CA ASP A 213 2.393 31.620 18.917 1.00 0.00 C ATOM 382 C ASP A 213 2.464 30.798 20.219 1.00 0.00 C ATOM 383 O ASP A 213 3.114 31.227 21.172 1.00 0.00 O ATOM 384 CB ASP A 213 1.661 32.957 19.137 1.00 0.00 C ATOM 385 CG ASP A 213 2.399 33.917 20.070 1.00 0.00 C ATOM 386 OD1 ASP A 213 3.438 34.455 19.628 1.00 0.00 O ATOM 387 OD2 ASP A 213 1.891 34.131 21.193 1.00 0.00 O ATOM 0 H ASP A 213 0.737 31.229 17.738 1.00 0.00 H new ATOM 0 HA ASP A 213 3.434 31.781 18.636 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.514 33.443 18.173 1.00 0.00 H new ATOM 0 HB3 ASP A 213 0.671 32.756 19.547 1.00 0.00 H new ATOM 392 N ASN A 214 1.802 29.632 20.282 1.00 0.00 N ATOM 393 CA ASN A 214 1.629 28.893 21.531 1.00 0.00 C ATOM 394 C ASN A 214 2.898 28.113 21.906 1.00 0.00 C ATOM 395 O ASN A 214 3.541 27.550 21.017 1.00 0.00 O ATOM 396 CB ASN A 214 0.486 27.872 21.407 1.00 0.00 C ATOM 397 CG ASN A 214 -0.869 28.444 21.005 1.00 0.00 C ATOM 398 OD1 ASN A 214 -1.747 27.569 20.521 1.00 0.00 O flip ATOM 399 ND2 ASN A 214 -1.128 29.637 21.114 1.00 0.00 N flip ATOM 0 H ASN A 214 1.376 29.182 19.472 1.00 0.00 H new ATOM 0 HA ASN A 214 1.405 29.633 22.299 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.774 27.119 20.674 1.00 0.00 H new ATOM 0 HB3 ASN A 214 0.375 27.360 22.363 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -0.429 30.278 21.490 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.042 29.989 20.829 1.00 0.00 H new ATOM 406 N PRO A 215 3.205 27.971 23.212 1.00 0.00 N ATOM 407 CA PRO A 215 4.224 27.048 23.707 1.00 0.00 C ATOM 408 C PRO A 215 3.717 25.586 23.715 1.00 0.00 C ATOM 409 O PRO A 215 4.414 24.706 24.218 1.00 0.00 O ATOM 410 CB PRO A 215 4.549 27.556 25.116 1.00 0.00 C ATOM 411 CG PRO A 215 3.210 28.106 25.603 1.00 0.00 C ATOM 412 CD PRO A 215 2.572 28.662 24.330 1.00 0.00 C ATOM 0 HA PRO A 215 5.108 27.028 23.070 1.00 0.00 H new ATOM 0 HB2 PRO A 215 4.914 26.755 25.759 1.00 0.00 H new ATOM 0 HB3 PRO A 215 5.319 28.327 25.099 1.00 0.00 H new ATOM 0 HG2 PRO A 215 2.595 27.327 26.053 1.00 0.00 H new ATOM 0 HG3 PRO A 215 3.344 28.882 26.357 1.00 0.00 H new ATOM 0 HD2 PRO A 215 1.495 28.493 24.330 1.00 0.00 H new ATOM 0 HD3 PRO A 215 2.726 29.739 24.258 1.00 0.00 H new ATOM 420 N ASP A 216 2.517 25.334 23.160 1.00 0.00 N ATOM 421 CA ASP A 216 1.794 24.063 23.208 1.00 0.00 C ATOM 422 C ASP A 216 1.384 23.562 21.812 1.00 0.00 C ATOM 423 O ASP A 216 0.894 22.439 21.696 1.00 0.00 O ATOM 424 CB ASP A 216 0.536 24.224 24.079 1.00 0.00 C ATOM 425 CG ASP A 216 0.815 24.846 25.448 1.00 0.00 C ATOM 426 OD1 ASP A 216 1.481 24.171 26.262 1.00 0.00 O ATOM 427 OD2 ASP A 216 0.351 25.989 25.654 1.00 0.00 O ATOM 0 H ASP A 216 2.006 26.050 22.643 1.00 0.00 H new ATOM 0 HA ASP A 216 2.469 23.322 23.636 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -0.187 24.844 23.548 1.00 0.00 H new ATOM 0 HB3 ASP A 216 0.075 23.247 24.220 1.00 0.00 H new ATOM 432 N CYS A 217 1.572 24.373 20.758 1.00 0.00 N ATOM 433 CA CYS A 217 1.331 23.985 19.380 1.00 0.00 C ATOM 434 C CYS A 217 2.324 22.896 18.967 1.00 0.00 C ATOM 435 O CYS A 217 3.528 23.013 19.191 1.00 0.00 O ATOM 436 CB CYS A 217 1.409 25.214 18.469 1.00 0.00 C ATOM 437 SG CYS A 217 0.898 24.804 16.781 1.00 0.00 S ATOM 0 H CYS A 217 1.902 25.333 20.854 1.00 0.00 H new ATOM 0 HA CYS A 217 0.328 23.570 19.282 1.00 0.00 H new ATOM 0 HB2 CYS A 217 0.771 26.005 18.864 1.00 0.00 H new ATOM 0 HB3 CYS A 217 2.428 25.601 18.460 1.00 0.00 H new ATOM 443 N SER A 218 1.779 21.857 18.330 1.00 0.00 N ATOM 444 CA SER A 218 2.485 20.639 17.923 1.00 0.00 C ATOM 445 C SER A 218 2.597 20.531 16.395 1.00 0.00 C ATOM 446 O SER A 218 3.006 19.491 15.882 1.00 0.00 O ATOM 447 CB SER A 218 1.779 19.412 18.519 1.00 0.00 C ATOM 448 OG SER A 218 1.758 19.483 19.930 1.00 0.00 O ATOM 0 H SER A 218 0.792 21.840 18.073 1.00 0.00 H new ATOM 0 HA SER A 218 3.503 20.684 18.309 1.00 0.00 H new ATOM 0 HB2 SER A 218 0.760 19.352 18.138 1.00 0.00 H new ATOM 0 HB3 SER A 218 2.291 18.503 18.203 1.00 0.00 H new ATOM 0 HG SER A 218 1.303 18.694 20.291 1.00 0.00 H new ATOM 454 N ILE A 219 2.254 21.616 15.683 1.00 0.00 N ATOM 455 CA ILE A 219 2.363 21.759 14.233 1.00 0.00 C ATOM 456 C ILE A 219 3.292 22.943 13.902 1.00 0.00 C ATOM 457 O ILE A 219 4.036 22.862 12.929 1.00 0.00 O ATOM 458 CB ILE A 219 0.959 21.942 13.598 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.110 20.919 14.051 1.00 0.00 C ATOM 460 CG2 ILE A 219 1.043 21.960 12.061 1.00 0.00 C ATOM 461 CD1 ILE A 219 0.151 19.470 13.624 1.00 0.00 C ATOM 0 H ILE A 219 1.877 22.452 16.128 1.00 0.00 H new ATOM 0 HA ILE A 219 2.796 20.853 13.810 1.00 0.00 H new ATOM 0 HB ILE A 219 0.621 22.909 13.971 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.185 20.953 15.138 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.077 21.229 13.655 1.00 0.00 H new ATOM 0 HG21 ILE A 219 0.044 22.089 11.644 1.00 0.00 H new ATOM 0 HG22 ILE A 219 1.680 22.785 11.741 1.00 0.00 H new ATOM 0 HG23 ILE A 219 1.464 21.018 11.709 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -0.654 18.832 13.990 1.00 0.00 H new ATOM 0 HD12 ILE A 219 0.193 19.413 12.536 1.00 0.00 H new ATOM 0 HD13 ILE A 219 1.100 19.133 14.042 1.00 0.00 H new ATOM 473 N GLU A 220 3.273 23.993 14.748 1.00 0.00 N ATOM 474 CA GLU A 220 4.029 25.254 14.726 1.00 0.00 C ATOM 475 C GLU A 220 4.056 26.084 13.428 1.00 0.00 C ATOM 476 O GLU A 220 4.482 27.233 13.495 1.00 0.00 O ATOM 477 CB GLU A 220 5.437 25.069 15.328 1.00 0.00 C ATOM 478 CG GLU A 220 6.379 24.206 14.474 1.00 0.00 C ATOM 479 CD GLU A 220 7.844 24.418 14.853 1.00 0.00 C ATOM 480 OE1 GLU A 220 8.232 23.929 15.937 1.00 0.00 O ATOM 481 OE2 GLU A 220 8.554 25.064 14.050 1.00 0.00 O ATOM 0 H GLU A 220 2.653 23.970 15.557 1.00 0.00 H new ATOM 0 HA GLU A 220 3.421 25.895 15.364 1.00 0.00 H new ATOM 0 HB2 GLU A 220 5.891 26.050 15.471 1.00 0.00 H new ATOM 0 HB3 GLU A 220 5.341 24.615 16.315 1.00 0.00 H new ATOM 0 HG2 GLU A 220 6.120 23.154 14.598 1.00 0.00 H new ATOM 0 HG3 GLU A 220 6.238 24.447 13.420 1.00 0.00 H new ATOM 488 N TRP A 221 3.578 25.572 12.286 1.00 0.00 N ATOM 489 CA TRP A 221 3.545 26.257 11.006 1.00 0.00 C ATOM 490 C TRP A 221 2.299 25.895 10.200 1.00 0.00 C ATOM 491 O TRP A 221 1.697 24.845 10.400 1.00 0.00 O ATOM 492 CB TRP A 221 4.768 25.821 10.210 1.00 0.00 C ATOM 493 CG TRP A 221 6.035 26.543 10.495 1.00 0.00 C ATOM 494 CD1 TRP A 221 7.125 26.015 11.087 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.383 27.916 10.159 1.00 0.00 C ATOM 496 NE1 TRP A 221 8.138 26.942 11.098 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.752 28.121 10.492 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.689 29.000 9.581 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.414 29.320 10.195 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.330 30.231 9.349 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.696 30.386 9.632 1.00 0.00 C ATOM 0 H TRP A 221 3.190 24.630 12.237 1.00 0.00 H new ATOM 0 HA TRP A 221 3.534 27.332 11.188 1.00 0.00 H new ATOM 0 HB2 TRP A 221 4.932 24.759 10.391 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.543 25.933 9.149 1.00 0.00 H new ATOM 0 HD1 TRP A 221 7.191 25.016 11.491 1.00 0.00 H new ATOM 0 HE1 TRP A 221 9.060 26.780 11.503 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.649 28.883 9.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.470 29.423 10.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 5.767 31.062 8.951 1.00 0.00 H new ATOM 0 HH2 TRP A 221 8.192 31.321 9.417 1.00 0.00 H new ATOM 512 N PHE A 222 1.927 26.786 9.274 1.00 0.00 N ATOM 513 CA PHE A 222 0.735 26.714 8.432 1.00 0.00 C ATOM 514 C PHE A 222 0.935 27.592 7.191 1.00 0.00 C ATOM 515 O PHE A 222 1.673 28.577 7.237 1.00 0.00 O ATOM 516 CB PHE A 222 -0.486 27.254 9.210 1.00 0.00 C ATOM 517 CG PHE A 222 -0.704 26.616 10.568 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.060 27.151 11.702 1.00 0.00 C ATOM 519 CD2 PHE A 222 -1.428 25.414 10.677 1.00 0.00 C ATOM 520 CE1 PHE A 222 -0.095 26.464 12.924 1.00 0.00 C ATOM 521 CE2 PHE A 222 -1.486 24.743 11.910 1.00 0.00 C ATOM 522 CZ PHE A 222 -0.822 25.268 13.029 1.00 0.00 C ATOM 0 H PHE A 222 2.482 27.621 9.084 1.00 0.00 H new ATOM 0 HA PHE A 222 0.568 25.676 8.143 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.368 28.329 9.344 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.380 27.104 8.605 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.462 28.094 11.629 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -1.937 25.009 9.815 1.00 0.00 H new ATOM 0 HE1 PHE A 222 0.435 26.853 13.781 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -2.043 23.822 11.997 1.00 0.00 H new ATOM 0 HZ PHE A 222 -0.871 24.750 13.975 1.00 0.00 H new ATOM 532 N HIS A 223 0.242 27.274 6.089 1.00 0.00 N ATOM 533 CA HIS A 223 0.140 28.201 4.964 1.00 0.00 C ATOM 534 C HIS A 223 -0.724 29.395 5.379 1.00 0.00 C ATOM 535 O HIS A 223 -1.600 29.267 6.236 1.00 0.00 O ATOM 536 CB HIS A 223 -0.493 27.539 3.727 1.00 0.00 C ATOM 537 CG HIS A 223 0.120 26.242 3.258 1.00 0.00 C ATOM 538 ND1 HIS A 223 -0.182 24.966 3.755 1.00 0.00 N ATOM 539 CD2 HIS A 223 0.915 26.116 2.157 1.00 0.00 C ATOM 540 CE1 HIS A 223 0.451 24.113 2.930 1.00 0.00 C ATOM 541 NE2 HIS A 223 1.121 24.772 1.970 1.00 0.00 N ATOM 0 H HIS A 223 -0.250 26.390 5.957 1.00 0.00 H new ATOM 0 HA HIS A 223 1.149 28.518 4.700 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.547 27.359 3.941 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -0.452 28.251 2.903 1.00 0.00 H new ATOM 0 HD2 HIS A 223 1.307 26.919 1.550 1.00 0.00 H new ATOM 0 HE1 HIS A 223 0.424 23.038 3.027 1.00 0.00 H new ATOM 0 HE2 HIS A 223 1.684 24.348 1.232 1.00 0.00 H new ATOM 549 N PHE A 224 -0.507 30.541 4.723 1.00 0.00 N ATOM 550 CA PHE A 224 -1.443 31.672 4.798 1.00 0.00 C ATOM 551 C PHE A 224 -2.848 31.187 4.460 1.00 0.00 C ATOM 552 O PHE A 224 -3.771 31.391 5.239 1.00 0.00 O ATOM 553 CB PHE A 224 -1.077 32.788 3.806 1.00 0.00 C ATOM 554 CG PHE A 224 0.135 33.653 4.076 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.929 33.503 5.229 1.00 0.00 C ATOM 556 CD2 PHE A 224 0.473 34.630 3.118 1.00 0.00 C ATOM 557 CE1 PHE A 224 2.094 34.270 5.373 1.00 0.00 C ATOM 558 CE2 PHE A 224 1.654 35.377 3.254 1.00 0.00 C ATOM 559 CZ PHE A 224 2.488 35.156 4.360 1.00 0.00 C ATOM 0 H PHE A 224 0.308 30.711 4.134 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.391 32.071 5.811 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -0.937 32.325 2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -1.940 33.449 3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 224 0.642 32.801 5.998 1.00 0.00 H new ATOM 0 HD2 PHE A 224 -0.180 34.805 2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 224 2.691 34.178 6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 224 1.918 36.116 2.512 1.00 0.00 H new ATOM 0 HZ PHE A 224 3.436 35.669 4.432 1.00 0.00 H new ATOM 569 N ALA A 225 -2.989 30.480 3.338 1.00 0.00 N ATOM 570 CA ALA A 225 -4.266 29.980 2.857 1.00 0.00 C ATOM 571 C ALA A 225 -4.844 28.853 3.731 1.00 0.00 C ATOM 572 O ALA A 225 -6.026 28.541 3.597 1.00 0.00 O ATOM 573 CB ALA A 225 -4.103 29.521 1.405 1.00 0.00 C ATOM 0 H ALA A 225 -2.204 30.238 2.733 1.00 0.00 H new ATOM 0 HA ALA A 225 -4.988 30.795 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -5.056 29.144 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -3.782 30.363 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -3.355 28.730 1.355 1.00 0.00 H new ATOM 579 N CYS A 226 -4.044 28.270 4.641 1.00 0.00 N ATOM 580 CA CYS A 226 -4.513 27.299 5.628 1.00 0.00 C ATOM 581 C CYS A 226 -5.423 27.937 6.696 1.00 0.00 C ATOM 582 O CYS A 226 -6.199 27.218 7.321 1.00 0.00 O ATOM 583 CB CYS A 226 -3.305 26.612 6.261 1.00 0.00 C ATOM 584 SG CYS A 226 -3.744 25.007 6.968 1.00 0.00 S ATOM 0 H CYS A 226 -3.045 28.466 4.707 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.128 26.558 5.118 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -2.527 26.478 5.509 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -2.889 27.251 7.040 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.454 24.065 6.120 1.00 0.00 H new ATOM 590 N VAL A 227 -5.370 29.273 6.857 1.00 0.00 N ATOM 591 CA VAL A 227 -6.269 30.067 7.698 1.00 0.00 C ATOM 592 C VAL A 227 -7.136 31.031 6.875 1.00 0.00 C ATOM 593 O VAL A 227 -8.197 31.452 7.334 1.00 0.00 O ATOM 594 CB VAL A 227 -5.463 30.787 8.805 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.629 31.978 8.305 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.363 31.258 9.957 1.00 0.00 C ATOM 0 H VAL A 227 -4.671 29.845 6.384 1.00 0.00 H new ATOM 0 HA VAL A 227 -6.971 29.389 8.184 1.00 0.00 H new ATOM 0 HB VAL A 227 -4.767 30.028 9.163 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.095 32.426 9.143 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -3.911 31.633 7.561 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.288 32.721 7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.756 31.758 10.712 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.111 31.953 9.574 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -6.862 30.398 10.404 1.00 0.00 H new ATOM 606 N GLY A 228 -6.678 31.345 5.660 1.00 0.00 N ATOM 607 CA GLY A 228 -7.316 32.249 4.710 1.00 0.00 C ATOM 608 C GLY A 228 -6.617 33.611 4.587 1.00 0.00 C ATOM 609 O GLY A 228 -7.252 34.553 4.115 1.00 0.00 O ATOM 0 H GLY A 228 -5.808 30.954 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -7.340 31.773 3.730 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -8.351 32.408 5.013 1.00 0.00 H new ATOM 613 N LEU A 229 -5.351 33.743 5.025 1.00 0.00 N ATOM 614 CA LEU A 229 -4.595 34.990 4.944 1.00 0.00 C ATOM 615 C LEU A 229 -4.189 35.320 3.499 1.00 0.00 C ATOM 616 O LEU A 229 -4.181 34.457 2.621 1.00 0.00 O ATOM 617 CB LEU A 229 -3.363 34.935 5.873 1.00 0.00 C ATOM 618 CG LEU A 229 -3.643 35.403 7.315 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.443 35.050 8.203 1.00 0.00 C ATOM 620 CD2 LEU A 229 -3.893 36.916 7.405 1.00 0.00 C ATOM 0 H LEU A 229 -4.827 32.976 5.447 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.246 35.796 5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -2.987 33.912 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -2.573 35.554 5.448 1.00 0.00 H new ATOM 0 HG LEU A 229 -4.546 34.894 7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -2.637 35.379 9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.288 33.971 8.193 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -1.551 35.549 7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -4.085 37.192 8.442 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -3.015 37.452 7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -4.756 37.179 6.794 1.00 0.00 H new ATOM 632 N THR A 230 -3.826 36.593 3.286 1.00 0.00 N ATOM 633 CA THR A 230 -3.470 37.168 1.983 1.00 0.00 C ATOM 634 C THR A 230 -2.252 38.103 2.095 1.00 0.00 C ATOM 635 O THR A 230 -1.522 38.263 1.118 1.00 0.00 O ATOM 636 CB THR A 230 -4.693 37.918 1.409 1.00 0.00 C ATOM 637 OG1 THR A 230 -5.827 37.074 1.373 1.00 0.00 O ATOM 638 CG2 THR A 230 -4.470 38.451 -0.012 1.00 0.00 C ATOM 0 H THR A 230 -3.771 37.274 4.044 1.00 0.00 H new ATOM 0 HA THR A 230 -3.191 36.361 1.305 1.00 0.00 H new ATOM 0 HB THR A 230 -4.848 38.765 2.078 1.00 0.00 H new ATOM 0 HG1 THR A 230 -6.591 37.568 1.008 1.00 0.00 H new ATOM 0 HG21 THR A 230 -5.368 38.966 -0.352 1.00 0.00 H new ATOM 0 HG22 THR A 230 -3.631 39.146 -0.012 1.00 0.00 H new ATOM 0 HG23 THR A 230 -4.252 37.620 -0.682 1.00 0.00 H new ATOM 646 N THR A 231 -2.001 38.675 3.283 1.00 0.00 N ATOM 647 CA THR A 231 -0.857 39.536 3.592 1.00 0.00 C ATOM 648 C THR A 231 -0.339 39.171 4.985 1.00 0.00 C ATOM 649 O THR A 231 -1.131 38.897 5.887 1.00 0.00 O ATOM 650 CB THR A 231 -1.247 41.028 3.539 1.00 0.00 C ATOM 651 OG1 THR A 231 -2.342 41.301 4.393 1.00 0.00 O ATOM 652 CG2 THR A 231 -1.599 41.495 2.122 1.00 0.00 C ATOM 0 H THR A 231 -2.617 38.543 4.085 1.00 0.00 H new ATOM 0 HA THR A 231 -0.078 39.378 2.847 1.00 0.00 H new ATOM 0 HB THR A 231 -0.368 41.578 3.875 1.00 0.00 H new ATOM 0 HG1 THR A 231 -2.567 42.253 4.342 1.00 0.00 H new ATOM 0 HG21 THR A 231 -1.866 42.552 2.143 1.00 0.00 H new ATOM 0 HG22 THR A 231 -0.740 41.350 1.467 1.00 0.00 H new ATOM 0 HG23 THR A 231 -2.442 40.915 1.747 1.00 0.00 H new ATOM 660 N LYS A 232 0.991 39.161 5.152 1.00 0.00 N ATOM 661 CA LYS A 232 1.648 38.626 6.341 1.00 0.00 C ATOM 662 C LYS A 232 1.580 39.607 7.531 1.00 0.00 C ATOM 663 O LYS A 232 2.139 40.700 7.430 1.00 0.00 O ATOM 664 CB LYS A 232 3.110 38.293 5.995 1.00 0.00 C ATOM 665 CG LYS A 232 3.713 37.362 7.055 1.00 0.00 C ATOM 666 CD LYS A 232 5.164 36.976 6.736 1.00 0.00 C ATOM 667 CE LYS A 232 5.704 35.967 7.757 1.00 0.00 C ATOM 668 NZ LYS A 232 5.796 36.542 9.113 1.00 0.00 N ATOM 0 H LYS A 232 1.641 39.528 4.457 1.00 0.00 H new ATOM 0 HA LYS A 232 1.123 37.722 6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 232 3.159 37.818 5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.694 39.211 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.675 37.851 8.028 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.107 36.459 7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.218 36.549 5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 232 5.790 37.869 6.736 1.00 0.00 H new ATOM 0 HE2 LYS A 232 5.055 35.092 7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 232 6.690 35.625 7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 6.274 35.868 9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 6.339 37.429 9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 4.840 36.735 9.474 1.00 0.00 H new ATOM 682 N PRO A 233 0.955 39.235 8.669 1.00 0.00 N ATOM 683 CA PRO A 233 1.030 39.989 9.919 1.00 0.00 C ATOM 684 C PRO A 233 2.335 39.672 10.679 1.00 0.00 C ATOM 685 O PRO A 233 3.098 38.786 10.288 1.00 0.00 O ATOM 686 CB PRO A 233 -0.200 39.530 10.710 1.00 0.00 C ATOM 687 CG PRO A 233 -0.302 38.056 10.329 1.00 0.00 C ATOM 688 CD PRO A 233 0.119 38.055 8.859 1.00 0.00 C ATOM 0 HA PRO A 233 1.039 41.067 9.757 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -0.066 39.664 11.783 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.095 40.085 10.429 1.00 0.00 H new ATOM 0 HG2 PRO A 233 0.355 37.435 10.938 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -1.314 37.674 10.460 1.00 0.00 H new ATOM 0 HD2 PRO A 233 0.668 37.146 8.613 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -0.753 38.087 8.205 1.00 0.00 H new ATOM 696 N ARG A 234 2.565 40.364 11.804 1.00 0.00 N ATOM 697 CA ARG A 234 3.655 40.081 12.726 1.00 0.00 C ATOM 698 C ARG A 234 3.184 40.357 14.154 1.00 0.00 C ATOM 699 O ARG A 234 2.555 41.379 14.433 1.00 0.00 O ATOM 700 CB ARG A 234 4.870 40.954 12.389 1.00 0.00 C ATOM 701 CG ARG A 234 6.182 40.340 12.912 1.00 0.00 C ATOM 702 CD ARG A 234 7.174 41.402 13.402 1.00 0.00 C ATOM 703 NE ARG A 234 6.745 41.998 14.681 1.00 0.00 N ATOM 704 CZ ARG A 234 6.904 41.452 15.898 1.00 0.00 C ATOM 705 NH1 ARG A 234 7.528 40.283 16.071 1.00 0.00 N ATOM 706 NH2 ARG A 234 6.428 42.087 16.968 1.00 0.00 N ATOM 0 H ARG A 234 1.983 41.149 12.097 1.00 0.00 H new ATOM 0 HA ARG A 234 3.948 39.035 12.636 1.00 0.00 H new ATOM 0 HB2 ARG A 234 4.935 41.084 11.309 1.00 0.00 H new ATOM 0 HB3 ARG A 234 4.736 41.945 12.821 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.958 39.653 13.728 1.00 0.00 H new ATOM 0 HG3 ARG A 234 6.646 39.753 12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 234 8.159 40.952 13.522 1.00 0.00 H new ATOM 0 HD3 ARG A 234 7.271 42.185 12.650 1.00 0.00 H new ATOM 0 HE ARG A 234 6.286 42.908 14.638 1.00 0.00 H new ATOM 0 HH11 ARG A 234 7.900 39.779 15.266 1.00 0.00 H new ATOM 0 HH12 ARG A 234 7.633 39.895 17.008 1.00 0.00 H new ATOM 0 HH21 ARG A 234 5.947 42.980 16.859 1.00 0.00 H new ATOM 0 HH22 ARG A 234 6.544 41.680 17.896 1.00 0.00 H new ATOM 720 N GLY A 235 3.509 39.417 15.039 1.00 0.00 N ATOM 721 CA GLY A 235 3.102 39.386 16.439 1.00 0.00 C ATOM 722 C GLY A 235 2.455 38.046 16.796 1.00 0.00 C ATOM 723 O GLY A 235 2.556 37.075 16.043 1.00 0.00 O ATOM 0 H GLY A 235 4.091 38.619 14.786 1.00 0.00 H new ATOM 0 HA2 GLY A 235 3.969 39.556 17.077 1.00 0.00 H new ATOM 0 HA3 GLY A 235 2.399 40.196 16.635 1.00 0.00 H new ATOM 727 N LYS A 236 1.770 38.013 17.949 1.00 0.00 N ATOM 728 CA LYS A 236 0.937 36.898 18.374 1.00 0.00 C ATOM 729 C LYS A 236 -0.187 36.678 17.359 1.00 0.00 C ATOM 730 O LYS A 236 -1.015 37.556 17.113 1.00 0.00 O ATOM 731 CB LYS A 236 0.413 37.144 19.802 1.00 0.00 C ATOM 732 CG LYS A 236 -0.570 36.059 20.287 1.00 0.00 C ATOM 733 CD LYS A 236 -2.054 36.467 20.208 1.00 0.00 C ATOM 734 CE LYS A 236 -2.588 37.034 21.529 1.00 0.00 C ATOM 735 NZ LYS A 236 -1.921 38.290 21.920 1.00 0.00 N ATOM 0 H LYS A 236 1.786 38.781 18.620 1.00 0.00 H new ATOM 0 HA LYS A 236 1.526 35.981 18.407 1.00 0.00 H new ATOM 0 HB2 LYS A 236 1.258 37.191 20.488 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -0.082 38.115 19.838 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -0.421 35.158 19.692 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -0.330 35.803 21.319 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -2.180 37.211 19.422 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -2.650 35.599 19.924 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -3.660 37.210 21.437 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -2.453 36.294 22.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -2.319 38.629 22.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -0.901 38.120 22.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -2.071 39.007 21.182 1.00 0.00 H new ATOM 749 N TRP A 237 -0.194 35.466 16.807 1.00 0.00 N ATOM 750 CA TRP A 237 -1.173 34.928 15.886 1.00 0.00 C ATOM 751 C TRP A 237 -1.461 33.479 16.277 1.00 0.00 C ATOM 752 O TRP A 237 -0.568 32.742 16.698 1.00 0.00 O ATOM 753 CB TRP A 237 -0.595 35.005 14.473 1.00 0.00 C ATOM 754 CG TRP A 237 -1.391 34.328 13.407 1.00 0.00 C ATOM 755 CD1 TRP A 237 -2.308 34.892 12.600 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.333 32.931 13.018 1.00 0.00 C ATOM 757 NE1 TRP A 237 -2.831 33.937 11.746 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.245 32.702 11.951 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.581 31.840 13.480 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.379 31.438 11.355 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -0.726 30.565 12.913 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.604 30.368 11.833 1.00 0.00 C ATOM 0 H TRP A 237 0.542 34.791 17.012 1.00 0.00 H new ATOM 0 HA TRP A 237 -2.104 35.494 15.921 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -0.482 36.055 14.204 1.00 0.00 H new ATOM 0 HB3 TRP A 237 0.404 34.570 14.485 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -2.593 35.934 12.616 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -3.557 34.121 11.053 1.00 0.00 H new ATOM 0 HE3 TRP A 237 0.122 31.985 14.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.070 31.290 10.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -0.162 29.733 13.307 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.683 29.395 11.371 1.00 0.00 H new ATOM 773 N PHE A 238 -2.724 33.079 16.107 1.00 0.00 N ATOM 774 CA PHE A 238 -3.223 31.754 16.452 1.00 0.00 C ATOM 775 C PHE A 238 -3.777 31.080 15.197 1.00 0.00 C ATOM 776 O PHE A 238 -4.494 31.698 14.409 1.00 0.00 O ATOM 777 CB PHE A 238 -4.283 31.842 17.567 1.00 0.00 C ATOM 778 CG PHE A 238 -3.787 31.911 19.012 1.00 0.00 C ATOM 779 CD1 PHE A 238 -2.737 32.768 19.406 1.00 0.00 C ATOM 780 CD2 PHE A 238 -4.424 31.129 19.998 1.00 0.00 C ATOM 781 CE1 PHE A 238 -2.317 32.818 20.746 1.00 0.00 C ATOM 782 CE2 PHE A 238 -4.019 31.195 21.343 1.00 0.00 C ATOM 783 CZ PHE A 238 -2.963 32.042 21.718 1.00 0.00 C ATOM 0 H PHE A 238 -3.443 33.687 15.715 1.00 0.00 H new ATOM 0 HA PHE A 238 -2.405 31.147 16.838 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -4.895 32.724 17.380 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -4.937 30.975 17.478 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -2.251 33.392 18.670 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -5.233 30.471 19.716 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -1.493 33.457 21.028 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -4.520 30.594 22.088 1.00 0.00 H new ATOM 0 HZ PHE A 238 -2.650 32.095 22.750 1.00 0.00 H new ATOM 793 N CYS A 239 -3.429 29.795 15.034 1.00 0.00 N ATOM 794 CA CYS A 239 -3.856 28.965 13.916 1.00 0.00 C ATOM 795 C CYS A 239 -5.373 28.687 13.958 1.00 0.00 C ATOM 796 O CYS A 239 -6.012 28.991 14.968 1.00 0.00 O ATOM 797 CB CYS A 239 -2.954 27.726 13.853 1.00 0.00 C ATOM 798 SG CYS A 239 -3.569 26.319 14.812 1.00 0.00 S ATOM 0 H CYS A 239 -2.830 29.300 15.695 1.00 0.00 H new ATOM 0 HA CYS A 239 -3.728 29.490 12.969 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -2.843 27.422 12.812 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -1.961 27.993 14.215 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.468 26.581 16.081 1.00 0.00 H new ATOM 804 N PRO A 240 -5.987 28.131 12.892 1.00 0.00 N ATOM 805 CA PRO A 240 -7.439 28.013 12.836 1.00 0.00 C ATOM 806 C PRO A 240 -7.994 27.047 13.887 1.00 0.00 C ATOM 807 O PRO A 240 -9.033 27.336 14.473 1.00 0.00 O ATOM 808 CB PRO A 240 -7.785 27.578 11.409 1.00 0.00 C ATOM 809 CG PRO A 240 -6.500 26.920 10.913 1.00 0.00 C ATOM 810 CD PRO A 240 -5.397 27.686 11.639 1.00 0.00 C ATOM 0 HA PRO A 240 -7.906 28.969 13.073 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.624 26.882 11.394 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.066 28.428 10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.475 25.857 11.155 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.400 27.003 9.831 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.531 27.049 11.818 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.053 28.533 11.046 1.00 0.00 H new ATOM 818 N ARG A 241 -7.274 25.954 14.181 1.00 0.00 N ATOM 819 CA ARG A 241 -7.620 24.996 15.226 1.00 0.00 C ATOM 820 C ARG A 241 -7.323 25.507 16.646 1.00 0.00 C ATOM 821 O ARG A 241 -7.593 24.789 17.608 1.00 0.00 O ATOM 822 CB ARG A 241 -6.928 23.651 14.946 1.00 0.00 C ATOM 823 CG ARG A 241 -7.639 22.904 13.807 1.00 0.00 C ATOM 824 CD ARG A 241 -7.108 21.472 13.669 1.00 0.00 C ATOM 825 NE ARG A 241 -8.021 20.628 12.880 1.00 0.00 N ATOM 826 CZ ARG A 241 -9.148 20.055 13.337 1.00 0.00 C ATOM 827 NH1 ARG A 241 -9.556 20.210 14.600 1.00 0.00 N ATOM 828 NH2 ARG A 241 -9.888 19.312 12.515 1.00 0.00 N ATOM 0 H ARG A 241 -6.417 25.712 13.684 1.00 0.00 H new ATOM 0 HA ARG A 241 -8.700 24.856 15.195 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -5.884 23.821 14.681 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -6.932 23.039 15.848 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -8.712 22.880 13.998 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -7.494 23.441 12.870 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -6.127 21.491 13.193 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -6.973 21.036 14.659 1.00 0.00 H new ATOM 0 HE ARG A 241 -7.777 20.464 11.903 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -9.007 20.776 15.247 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -10.416 19.762 14.917 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -9.598 19.181 11.546 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -10.744 18.874 12.855 1.00 0.00 H new ATOM 842 N CYS A 242 -6.797 26.734 16.787 1.00 0.00 N ATOM 843 CA CYS A 242 -6.400 27.330 18.049 1.00 0.00 C ATOM 844 C CYS A 242 -7.227 28.561 18.440 1.00 0.00 C ATOM 845 O CYS A 242 -7.266 28.876 19.629 1.00 0.00 O ATOM 846 CB CYS A 242 -4.918 27.707 17.949 1.00 0.00 C ATOM 847 SG CYS A 242 -3.839 26.265 18.190 1.00 0.00 S ATOM 0 H CYS A 242 -6.635 27.351 15.991 1.00 0.00 H new ATOM 0 HA CYS A 242 -6.578 26.594 18.833 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -4.720 28.150 16.973 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -4.684 28.465 18.696 1.00 0.00 H new ATOM 0 HG CYS A 242 -2.928 26.548 19.073 1.00 0.00 H new ATOM 853 N SER A 243 -7.894 29.239 17.492 1.00 0.00 N ATOM 854 CA SER A 243 -8.726 30.407 17.797 1.00 0.00 C ATOM 855 C SER A 243 -9.888 30.603 16.819 1.00 0.00 C ATOM 856 O SER A 243 -10.913 31.150 17.221 1.00 0.00 O ATOM 857 CB SER A 243 -7.842 31.662 17.816 1.00 0.00 C ATOM 858 OG SER A 243 -8.565 32.786 18.274 1.00 0.00 O ATOM 0 H SER A 243 -7.870 28.993 16.502 1.00 0.00 H new ATOM 0 HA SER A 243 -9.176 30.233 18.774 1.00 0.00 H new ATOM 0 HB2 SER A 243 -6.979 31.493 18.460 1.00 0.00 H new ATOM 0 HB3 SER A 243 -7.459 31.856 16.814 1.00 0.00 H new ATOM 0 HG SER A 243 -7.980 33.572 18.278 1.00 0.00 H new ATOM 864 N GLN A 244 -9.758 30.158 15.560 1.00 0.00 N ATOM 865 CA GLN A 244 -10.826 30.291 14.565 1.00 0.00 C ATOM 866 C GLN A 244 -11.953 29.262 14.776 1.00 0.00 C ATOM 867 O GLN A 244 -13.042 29.443 14.231 1.00 0.00 O ATOM 868 CB GLN A 244 -10.223 30.238 13.152 1.00 0.00 C ATOM 869 CG GLN A 244 -11.096 30.902 12.079 1.00 0.00 C ATOM 870 CD GLN A 244 -10.282 31.194 10.817 1.00 0.00 C ATOM 871 OE1 GLN A 244 -9.586 32.203 10.748 1.00 0.00 O ATOM 872 NE2 GLN A 244 -10.344 30.320 9.813 1.00 0.00 N ATOM 0 H GLN A 244 -8.917 29.700 15.208 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.303 31.263 14.692 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.248 30.724 13.165 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.056 29.196 12.877 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -11.935 30.251 11.833 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -11.516 31.829 12.469 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -10.930 29.489 9.895 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -9.805 30.482 8.962 1.00 0.00 H new ATOM 881 N GLU A 245 -11.731 28.226 15.607 1.00 0.00 N ATOM 882 CA GLU A 245 -12.780 27.309 16.062 1.00 0.00 C ATOM 883 C GLU A 245 -13.746 27.968 17.067 1.00 0.00 C ATOM 884 O GLU A 245 -14.804 27.400 17.342 1.00 0.00 O ATOM 885 CB GLU A 245 -12.143 26.046 16.672 1.00 0.00 C ATOM 886 CG GLU A 245 -11.535 25.105 15.620 1.00 0.00 C ATOM 887 CD GLU A 245 -12.597 24.434 14.745 1.00 0.00 C ATOM 888 OE1 GLU A 245 -13.063 23.345 15.145 1.00 0.00 O ATOM 889 OE2 GLU A 245 -12.924 25.017 13.688 1.00 0.00 O ATOM 0 H GLU A 245 -10.809 28.005 15.982 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.374 27.033 15.191 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -11.366 26.343 17.376 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -12.899 25.504 17.241 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -10.851 25.669 14.986 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -10.946 24.338 16.122 1.00 0.00 H new ATOM 896 N ARG A 246 -13.428 29.173 17.574 1.00 0.00 N ATOM 897 CA ARG A 246 -14.303 29.984 18.426 1.00 0.00 C ATOM 898 C ARG A 246 -15.334 30.783 17.596 1.00 0.00 C ATOM 899 O ARG A 246 -15.767 31.859 18.001 1.00 0.00 O ATOM 900 CB ARG A 246 -13.426 30.875 19.334 1.00 0.00 C ATOM 901 CG ARG A 246 -14.105 31.382 20.623 1.00 0.00 C ATOM 902 CD ARG A 246 -14.117 30.377 21.790 1.00 0.00 C ATOM 903 NE ARG A 246 -14.893 29.154 21.520 1.00 0.00 N ATOM 904 CZ ARG A 246 -16.229 29.059 21.446 1.00 0.00 C ATOM 905 NH1 ARG A 246 -17.023 30.115 21.636 1.00 0.00 N ATOM 906 NH2 ARG A 246 -16.782 27.879 21.164 1.00 0.00 N ATOM 0 H ARG A 246 -12.528 29.618 17.394 1.00 0.00 H new ATOM 0 HA ARG A 246 -14.902 29.334 19.064 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -12.533 30.314 19.611 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -13.094 31.737 18.756 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -13.598 32.290 20.950 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -15.133 31.658 20.390 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -13.090 30.098 22.027 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -14.526 30.867 22.674 1.00 0.00 H new ATOM 0 HE ARG A 246 -14.362 28.295 21.375 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -16.617 31.027 21.844 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -18.036 30.010 21.573 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -16.190 27.063 21.008 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -17.797 27.792 21.105 1.00 0.00 H new ATOM 920 N LYS A 247 -15.724 30.254 16.425 1.00 0.00 N ATOM 921 CA LYS A 247 -16.701 30.829 15.497 1.00 0.00 C ATOM 922 C LYS A 247 -18.089 31.062 16.127 1.00 0.00 C ATOM 923 O LYS A 247 -18.856 31.874 15.611 1.00 0.00 O ATOM 924 CB LYS A 247 -16.758 29.908 14.266 1.00 0.00 C ATOM 925 CG LYS A 247 -17.604 30.463 13.109 1.00 0.00 C ATOM 926 CD LYS A 247 -17.379 29.741 11.768 1.00 0.00 C ATOM 927 CE LYS A 247 -17.720 28.243 11.780 1.00 0.00 C ATOM 928 NZ LYS A 247 -16.619 27.412 12.308 1.00 0.00 N ATOM 0 H LYS A 247 -15.345 29.369 16.086 1.00 0.00 H new ATOM 0 HA LYS A 247 -16.379 31.830 15.209 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -15.743 29.733 13.909 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -17.162 28.941 14.567 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -18.658 30.392 13.376 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -17.378 31.522 12.982 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -17.981 30.230 11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -16.335 29.860 11.478 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -18.613 28.083 12.384 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -17.959 27.921 10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -16.573 26.519 11.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -15.719 27.923 12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -16.789 27.208 13.314 1.00 0.00 H new ATOM 942 N LYS A 248 -18.399 30.393 17.251 1.00 0.00 N ATOM 943 CA LYS A 248 -19.568 30.654 18.092 1.00 0.00 C ATOM 944 C LYS A 248 -19.325 31.912 18.944 1.00 0.00 C ATOM 945 O LYS A 248 -19.036 31.806 20.136 1.00 0.00 O ATOM 946 CB LYS A 248 -19.886 29.427 18.967 1.00 0.00 C ATOM 947 CG LYS A 248 -20.410 28.235 18.154 1.00 0.00 C ATOM 948 CD LYS A 248 -20.821 27.093 19.093 1.00 0.00 C ATOM 949 CE LYS A 248 -21.415 25.932 18.292 1.00 0.00 C ATOM 950 NZ LYS A 248 -21.860 24.840 19.179 1.00 0.00 N ATOM 0 H LYS A 248 -17.820 29.632 17.606 1.00 0.00 H new ATOM 0 HA LYS A 248 -20.436 30.836 17.459 1.00 0.00 H new ATOM 0 HB2 LYS A 248 -18.986 29.127 19.504 1.00 0.00 H new ATOM 0 HB3 LYS A 248 -20.628 29.704 19.717 1.00 0.00 H new ATOM 0 HG2 LYS A 248 -21.263 28.544 17.550 1.00 0.00 H new ATOM 0 HG3 LYS A 248 -19.640 27.889 17.464 1.00 0.00 H new ATOM 0 HD2 LYS A 248 -19.955 26.748 19.658 1.00 0.00 H new ATOM 0 HD3 LYS A 248 -21.551 27.454 19.818 1.00 0.00 H new ATOM 0 HE2 LYS A 248 -22.258 26.289 17.701 1.00 0.00 H new ATOM 0 HE3 LYS A 248 -20.671 25.553 17.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 -22.258 24.068 18.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 -21.050 24.484 19.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 -22.587 25.197 19.831 1.00 0.00 H new ATOM 964 N LYS A 249 -19.441 33.087 18.305 1.00 0.00 N ATOM 965 CA LYS A 249 -19.132 34.417 18.835 1.00 0.00 C ATOM 966 C LYS A 249 -17.676 34.525 19.318 1.00 0.00 C ATOM 967 O LYS A 249 -17.413 34.234 20.507 1.00 0.00 O ATOM 968 CB LYS A 249 -20.186 34.844 19.875 1.00 0.00 C ATOM 969 CG LYS A 249 -20.072 36.336 20.227 1.00 0.00 C ATOM 970 CD LYS A 249 -21.120 36.734 21.277 1.00 0.00 C ATOM 971 CE LYS A 249 -21.009 38.213 21.665 1.00 0.00 C ATOM 972 NZ LYS A 249 -21.393 39.110 20.558 1.00 0.00 N ATOM 973 OXT LYS A 249 -16.846 34.924 18.474 1.00 0.00 O ATOM 0 H LYS A 249 -19.775 33.132 17.342 1.00 0.00 H new ATOM 0 HA LYS A 249 -19.199 35.142 18.024 1.00 0.00 H new ATOM 0 HB2 LYS A 249 -21.183 34.638 19.487 1.00 0.00 H new ATOM 0 HB3 LYS A 249 -20.066 34.247 20.779 1.00 0.00 H new ATOM 0 HG2 LYS A 249 -19.073 36.549 20.606 1.00 0.00 H new ATOM 0 HG3 LYS A 249 -20.206 36.937 19.328 1.00 0.00 H new ATOM 0 HD2 LYS A 249 -22.118 36.535 20.887 1.00 0.00 H new ATOM 0 HD3 LYS A 249 -20.996 36.115 22.166 1.00 0.00 H new ATOM 0 HE2 LYS A 249 -21.646 38.409 22.527 1.00 0.00 H new ATOM 0 HE3 LYS A 249 -19.985 38.431 21.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 -21.368 40.097 20.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 -20.727 38.991 19.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 -22.355 38.876 20.239 1.00 0.00 H new TER 987 LYS A 249 HETATM 988 ZN ZN A 250 -1.153 23.778 5.119 1.00 0.00 ZN HETATM 989 ZN ZN A 251 -1.019 26.019 16.197 1.00 0.00 ZN