USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 477 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 232 HIS HD1 : A 232 HIS ND1 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 270 HIS HD1 : A 270 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 222 SER OG : rot 180:sc= -0.0409 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 164:sc=-0.00959 (180deg=-0.149) USER MOD Single : A 230 MET CE :methyl -140:sc= -0.176 (180deg=-1.6!) USER MOD Single : A 235 LYS NZ :NH3+ -157:sc= -0.0666 (180deg=-0.554) USER MOD Single : A 237 TYR OH : rot 38:sc= 0.795 USER MOD Single : A 238 ASN :FLIP amide:sc= -3.56! C(o=-4.9!,f=-3.6!) USER MOD Single : A 239 TYR OH : rot 15:sc= -0.584 USER MOD Single : A 240 LYS NZ :NH3+ -170:sc= -0.0176 (180deg=-0.163) USER MOD Single : A 241 SER OG : rot 21:sc= 1.27 USER MOD Single : A 243 THR OG1 : rot -116:sc= -3.09! USER MOD Single : A 247 HIS : no HE2:sc= -8.46! C(o=-8.5!,f=-10!) USER MOD Single : A 250 THR OG1 : rot -88:sc= 1.19 USER MOD Single : A 258 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 261 LYS NZ :NH3+ -176:sc= -0.978 (180deg=-1.26) USER MOD Single : A 267 MET CE :methyl 170:sc= -1.23 (180deg=-1.74) USER MOD Single : A 268 ASN : amide:sc= -1.64 K(o=-1.6,f=-8.8!) USER MOD Single : A 271 HIS : no HE2:sc= -3.08 K(o=-3.1,f=-7.3!) USER MOD Single : A 274 GLN :FLIP amide:sc= 0.251 F(o=-0.3,f=0.25) USER MOD Single : A 275 THR OG1 : rot -27:sc= 0.667 USER MOD Single : A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 279 ASN :FLIP amide:sc= -0.225 F(o=-3.8!,f=-0.22) USER MOD Single : A 284 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 11.733 -14.984 -13.986 1.00 0.00 N ATOM 2 CA GLY A 220 11.736 -15.900 -12.861 1.00 0.00 C ATOM 3 C GLY A 220 10.341 -16.175 -12.334 1.00 0.00 C ATOM 4 O GLY A 220 9.690 -15.285 -11.789 1.00 0.00 O ATOM 0 HA2 GLY A 220 12.199 -16.840 -13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 220 12.348 -15.485 -12.060 1.00 0.00 H new ATOM 8 N SER A 221 9.881 -17.412 -12.499 1.00 0.00 N ATOM 9 CA SER A 221 8.552 -17.800 -12.040 1.00 0.00 C ATOM 10 C SER A 221 8.640 -18.917 -11.005 1.00 0.00 C ATOM 11 O SER A 221 9.485 -19.807 -11.106 1.00 0.00 O ATOM 12 CB SER A 221 7.694 -18.252 -13.223 1.00 0.00 C ATOM 13 OG SER A 221 7.819 -17.357 -14.315 1.00 0.00 O ATOM 0 H SER A 221 10.409 -18.162 -12.947 1.00 0.00 H new ATOM 0 HA SER A 221 8.087 -16.932 -11.573 1.00 0.00 H new ATOM 0 HB2 SER A 221 7.995 -19.253 -13.533 1.00 0.00 H new ATOM 0 HB3 SER A 221 6.650 -18.313 -12.917 1.00 0.00 H new ATOM 0 HG SER A 221 7.262 -17.669 -15.059 1.00 0.00 H new ATOM 19 N SER A 222 7.761 -18.863 -10.010 1.00 0.00 N ATOM 20 CA SER A 222 7.740 -19.868 -8.953 1.00 0.00 C ATOM 21 C SER A 222 6.444 -19.787 -8.152 1.00 0.00 C ATOM 22 O SER A 222 5.789 -18.747 -8.113 1.00 0.00 O ATOM 23 CB SER A 222 8.940 -19.684 -8.022 1.00 0.00 C ATOM 24 OG SER A 222 8.872 -20.572 -6.920 1.00 0.00 O ATOM 0 H SER A 222 7.054 -18.134 -9.913 1.00 0.00 H new ATOM 0 HA SER A 222 7.798 -20.852 -9.419 1.00 0.00 H new ATOM 0 HB2 SER A 222 9.863 -19.856 -8.575 1.00 0.00 H new ATOM 0 HB3 SER A 222 8.971 -18.655 -7.663 1.00 0.00 H new ATOM 0 HG SER A 222 9.651 -20.436 -6.341 1.00 0.00 H new ATOM 30 N GLY A 223 6.080 -20.895 -7.514 1.00 0.00 N ATOM 31 CA GLY A 223 4.864 -20.930 -6.722 1.00 0.00 C ATOM 32 C GLY A 223 4.189 -22.287 -6.757 1.00 0.00 C ATOM 33 O GLY A 223 4.854 -23.316 -6.871 1.00 0.00 O ATOM 0 H GLY A 223 6.605 -21.769 -7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 223 5.099 -20.671 -5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 223 4.172 -20.173 -7.091 1.00 0.00 H new ATOM 37 N SER A 224 2.863 -22.289 -6.657 1.00 0.00 N ATOM 38 CA SER A 224 2.098 -23.530 -6.672 1.00 0.00 C ATOM 39 C SER A 224 0.872 -23.402 -7.571 1.00 0.00 C ATOM 40 O SER A 224 0.306 -22.318 -7.717 1.00 0.00 O ATOM 41 CB SER A 224 1.666 -23.905 -5.253 1.00 0.00 C ATOM 42 OG SER A 224 0.842 -25.058 -5.258 1.00 0.00 O ATOM 0 H SER A 224 2.297 -21.445 -6.565 1.00 0.00 H new ATOM 0 HA SER A 224 2.738 -24.317 -7.070 1.00 0.00 H new ATOM 0 HB2 SER A 224 2.547 -24.087 -4.637 1.00 0.00 H new ATOM 0 HB3 SER A 224 1.128 -23.072 -4.801 1.00 0.00 H new ATOM 0 HG SER A 224 0.581 -25.278 -4.339 1.00 0.00 H new ATOM 48 N SER A 225 0.467 -24.516 -8.172 1.00 0.00 N ATOM 49 CA SER A 225 -0.689 -24.529 -9.061 1.00 0.00 C ATOM 50 C SER A 225 -1.988 -24.563 -8.261 1.00 0.00 C ATOM 51 O SER A 225 -2.216 -25.472 -7.464 1.00 0.00 O ATOM 52 CB SER A 225 -0.624 -25.734 -10.000 1.00 0.00 C ATOM 53 OG SER A 225 0.716 -26.034 -10.353 1.00 0.00 O ATOM 0 H SER A 225 0.922 -25.422 -8.060 1.00 0.00 H new ATOM 0 HA SER A 225 -0.671 -23.615 -9.654 1.00 0.00 H new ATOM 0 HB2 SER A 225 -1.079 -26.599 -9.518 1.00 0.00 H new ATOM 0 HB3 SER A 225 -1.203 -25.529 -10.900 1.00 0.00 H new ATOM 0 HG SER A 225 0.731 -26.809 -10.952 1.00 0.00 H new ATOM 59 N GLY A 226 -2.838 -23.564 -8.481 1.00 0.00 N ATOM 60 CA GLY A 226 -4.103 -23.497 -7.774 1.00 0.00 C ATOM 61 C GLY A 226 -4.790 -22.156 -7.941 1.00 0.00 C ATOM 62 O GLY A 226 -5.961 -22.092 -8.317 1.00 0.00 O ATOM 0 H GLY A 226 -2.673 -22.800 -9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 226 -4.761 -24.287 -8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 226 -3.934 -23.686 -6.714 1.00 0.00 H new ATOM 66 N LYS A 227 -4.062 -21.081 -7.659 1.00 0.00 N ATOM 67 CA LYS A 227 -4.608 -19.734 -7.779 1.00 0.00 C ATOM 68 C LYS A 227 -3.495 -18.714 -8.001 1.00 0.00 C ATOM 69 O LYS A 227 -2.613 -18.551 -7.157 1.00 0.00 O ATOM 70 CB LYS A 227 -5.405 -19.371 -6.525 1.00 0.00 C ATOM 71 CG LYS A 227 -6.346 -18.195 -6.721 1.00 0.00 C ATOM 72 CD LYS A 227 -7.197 -17.949 -5.486 1.00 0.00 C ATOM 73 CE LYS A 227 -8.440 -17.138 -5.818 1.00 0.00 C ATOM 74 NZ LYS A 227 -9.443 -17.942 -6.569 1.00 0.00 N ATOM 0 H LYS A 227 -3.092 -21.116 -7.346 1.00 0.00 H new ATOM 0 HA LYS A 227 -5.273 -19.714 -8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 227 -5.983 -20.239 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 227 -4.710 -19.139 -5.718 1.00 0.00 H new ATOM 0 HG2 LYS A 227 -5.768 -17.300 -6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 227 -6.993 -18.384 -7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 227 -7.490 -18.904 -5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 227 -6.607 -17.422 -4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 227 -8.888 -16.767 -4.896 1.00 0.00 H new ATOM 0 HE3 LYS A 227 -8.158 -16.266 -6.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -10.365 -17.461 -6.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -9.136 -18.045 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -9.531 -18.882 -6.134 1.00 0.00 H new ATOM 88 N ILE A 228 -3.544 -18.030 -9.138 1.00 0.00 N ATOM 89 CA ILE A 228 -2.542 -17.024 -9.468 1.00 0.00 C ATOM 90 C ILE A 228 -3.041 -15.621 -9.138 1.00 0.00 C ATOM 91 O ILE A 228 -4.220 -15.313 -9.315 1.00 0.00 O ATOM 92 CB ILE A 228 -2.155 -17.082 -10.958 1.00 0.00 C ATOM 93 CG1 ILE A 228 -1.695 -18.492 -11.333 1.00 0.00 C ATOM 94 CG2 ILE A 228 -1.065 -16.065 -11.262 1.00 0.00 C ATOM 95 CD1 ILE A 228 -1.653 -18.737 -12.825 1.00 0.00 C ATOM 0 H ILE A 228 -4.267 -18.154 -9.847 1.00 0.00 H new ATOM 0 HA ILE A 228 -1.662 -17.245 -8.864 1.00 0.00 H new ATOM 0 HB ILE A 228 -3.032 -16.835 -11.556 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -0.703 -18.664 -10.917 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -2.365 -19.218 -10.872 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -0.802 -16.118 -12.319 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -1.426 -15.064 -11.028 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -0.185 -16.284 -10.658 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -1.318 -19.756 -13.017 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -2.649 -18.597 -13.245 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -0.961 -18.034 -13.290 1.00 0.00 H new ATOM 107 N ASP A 229 -2.136 -14.775 -8.659 1.00 0.00 N ATOM 108 CA ASP A 229 -2.483 -13.403 -8.307 1.00 0.00 C ATOM 109 C ASP A 229 -1.299 -12.468 -8.531 1.00 0.00 C ATOM 110 O ASP A 229 -0.187 -12.740 -8.079 1.00 0.00 O ATOM 111 CB ASP A 229 -2.939 -13.328 -6.849 1.00 0.00 C ATOM 112 CG ASP A 229 -3.528 -11.977 -6.495 1.00 0.00 C ATOM 113 OD1 ASP A 229 -4.688 -11.716 -6.877 1.00 0.00 O ATOM 114 OD2 ASP A 229 -2.829 -11.180 -5.835 1.00 0.00 O ATOM 0 H ASP A 229 -1.157 -15.015 -8.505 1.00 0.00 H new ATOM 0 HA ASP A 229 -3.301 -13.084 -8.953 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -3.681 -14.104 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -2.091 -13.534 -6.195 1.00 0.00 H new ATOM 119 N MET A 230 -1.546 -11.367 -9.233 1.00 0.00 N ATOM 120 CA MET A 230 -0.499 -10.392 -9.518 1.00 0.00 C ATOM 121 C MET A 230 -0.924 -8.995 -9.077 1.00 0.00 C ATOM 122 O MET A 230 -1.630 -8.281 -9.790 1.00 0.00 O ATOM 123 CB MET A 230 -0.167 -10.390 -11.011 1.00 0.00 C ATOM 124 CG MET A 230 0.533 -11.655 -11.480 1.00 0.00 C ATOM 125 SD MET A 230 2.093 -11.943 -10.623 1.00 0.00 S ATOM 126 CE MET A 230 1.908 -13.661 -10.151 1.00 0.00 C ATOM 0 H MET A 230 -2.461 -11.128 -9.615 1.00 0.00 H new ATOM 0 HA MET A 230 0.391 -10.676 -8.956 1.00 0.00 H new ATOM 0 HB2 MET A 230 -1.088 -10.262 -11.579 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.466 -9.531 -11.233 1.00 0.00 H new ATOM 0 HG2 MET A 230 -0.126 -12.509 -11.324 1.00 0.00 H new ATOM 0 HG3 MET A 230 0.719 -11.587 -12.552 1.00 0.00 H new ATOM 0 HE1 MET A 230 2.301 -13.806 -9.145 1.00 0.00 H new ATOM 0 HE2 MET A 230 0.852 -13.932 -10.171 1.00 0.00 H new ATOM 0 HE3 MET A 230 2.458 -14.292 -10.850 1.00 0.00 H new ATOM 136 N PRO A 231 -0.485 -8.593 -7.875 1.00 0.00 N ATOM 137 CA PRO A 231 -0.808 -7.278 -7.313 1.00 0.00 C ATOM 138 C PRO A 231 -0.110 -6.144 -8.056 1.00 0.00 C ATOM 139 O PRO A 231 0.901 -6.356 -8.726 1.00 0.00 O ATOM 140 CB PRO A 231 -0.294 -7.372 -5.874 1.00 0.00 C ATOM 141 CG PRO A 231 0.782 -8.401 -5.922 1.00 0.00 C ATOM 142 CD PRO A 231 0.360 -9.392 -6.972 1.00 0.00 C ATOM 0 HA PRO A 231 -1.872 -7.053 -7.386 1.00 0.00 H new ATOM 0 HB2 PRO A 231 0.091 -6.413 -5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.089 -7.663 -5.188 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.742 -7.950 -6.174 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.902 -8.886 -4.953 1.00 0.00 H new ATOM 0 HD2 PRO A 231 1.219 -9.814 -7.494 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.192 -10.226 -6.539 1.00 0.00 H new ATOM 150 N HIS A 232 -0.656 -4.938 -7.932 1.00 0.00 N ATOM 151 CA HIS A 232 -0.084 -3.769 -8.591 1.00 0.00 C ATOM 152 C HIS A 232 1.186 -3.312 -7.881 1.00 0.00 C ATOM 153 O HIS A 232 1.147 -2.902 -6.721 1.00 0.00 O ATOM 154 CB HIS A 232 -1.102 -2.628 -8.625 1.00 0.00 C ATOM 155 CG HIS A 232 -2.353 -2.964 -9.376 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.375 -3.202 -10.734 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.631 -3.102 -8.951 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.612 -3.471 -11.112 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.393 -3.417 -10.048 1.00 0.00 N ATOM 0 H HIS A 232 -1.493 -4.745 -7.382 1.00 0.00 H new ATOM 0 HA HIS A 232 0.173 -4.048 -9.613 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.364 -2.355 -7.603 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.639 -1.752 -9.080 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -3.985 -2.986 -7.937 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.930 -3.697 -12.119 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.399 -3.583 -10.043 1.00 0.00 H new ATOM 167 N ARG A 233 2.311 -3.387 -8.585 1.00 0.00 N ATOM 168 CA ARG A 233 3.593 -2.983 -8.021 1.00 0.00 C ATOM 169 C ARG A 233 3.715 -1.462 -7.982 1.00 0.00 C ATOM 170 O ARG A 233 4.593 -0.883 -8.622 1.00 0.00 O ATOM 171 CB ARG A 233 4.743 -3.576 -8.837 1.00 0.00 C ATOM 172 CG ARG A 233 5.001 -5.046 -8.547 1.00 0.00 C ATOM 173 CD ARG A 233 6.412 -5.452 -8.942 1.00 0.00 C ATOM 174 NE ARG A 233 6.543 -6.899 -9.092 1.00 0.00 N ATOM 175 CZ ARG A 233 7.562 -7.484 -9.712 1.00 0.00 C ATOM 176 NH1 ARG A 233 8.533 -6.750 -10.236 1.00 0.00 N ATOM 177 NH2 ARG A 233 7.610 -8.807 -9.807 1.00 0.00 N ATOM 0 H ARG A 233 2.360 -3.724 -9.547 1.00 0.00 H new ATOM 0 HA ARG A 233 3.647 -3.361 -7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.524 -3.457 -9.898 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.652 -3.009 -8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 233 4.849 -5.241 -7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 233 4.280 -5.657 -9.090 1.00 0.00 H new ATOM 0 HD2 ARG A 233 6.681 -4.965 -9.879 1.00 0.00 H new ATOM 0 HD3 ARG A 233 7.115 -5.101 -8.187 1.00 0.00 H new ATOM 0 HE ARG A 233 5.812 -7.493 -8.699 1.00 0.00 H new ATOM 0 HH11 ARG A 233 8.499 -5.733 -10.164 1.00 0.00 H new ATOM 0 HH12 ARG A 233 9.314 -7.202 -10.711 1.00 0.00 H new ATOM 0 HH21 ARG A 233 6.864 -9.375 -9.404 1.00 0.00 H new ATOM 0 HH22 ARG A 233 8.392 -9.256 -10.283 1.00 0.00 H new ATOM 191 N PHE A 234 2.828 -0.822 -7.227 1.00 0.00 N ATOM 192 CA PHE A 234 2.835 0.631 -7.106 1.00 0.00 C ATOM 193 C PHE A 234 4.152 1.121 -6.509 1.00 0.00 C ATOM 194 O PHE A 234 4.659 0.550 -5.543 1.00 0.00 O ATOM 195 CB PHE A 234 1.664 1.097 -6.238 1.00 0.00 C ATOM 196 CG PHE A 234 0.346 1.090 -6.957 1.00 0.00 C ATOM 197 CD1 PHE A 234 0.160 1.850 -8.100 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.709 0.322 -6.489 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.052 1.845 -8.764 1.00 0.00 C ATOM 200 CE2 PHE A 234 -1.923 0.313 -7.149 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.095 1.076 -8.287 1.00 0.00 C ATOM 0 H PHE A 234 2.096 -1.287 -6.690 1.00 0.00 H new ATOM 0 HA PHE A 234 2.729 1.054 -8.105 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.594 0.454 -5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.867 2.106 -5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.972 2.454 -8.477 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.581 -0.276 -5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.183 2.442 -9.655 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.737 -0.290 -6.775 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.044 1.071 -8.803 1.00 0.00 H new ATOM 211 N LYS A 235 4.700 2.182 -7.091 1.00 0.00 N ATOM 212 CA LYS A 235 5.956 2.751 -6.618 1.00 0.00 C ATOM 213 C LYS A 235 5.898 4.275 -6.619 1.00 0.00 C ATOM 214 O LYS A 235 5.629 4.895 -7.648 1.00 0.00 O ATOM 215 CB LYS A 235 7.117 2.274 -7.494 1.00 0.00 C ATOM 216 CG LYS A 235 7.552 0.847 -7.204 1.00 0.00 C ATOM 217 CD LYS A 235 8.344 0.758 -5.910 1.00 0.00 C ATOM 218 CE LYS A 235 9.774 1.241 -6.098 1.00 0.00 C ATOM 219 NZ LYS A 235 10.532 0.375 -7.043 1.00 0.00 N ATOM 0 H LYS A 235 4.294 2.666 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 235 6.117 2.412 -5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.826 2.350 -8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.967 2.941 -7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 235 6.674 0.204 -7.139 1.00 0.00 H new ATOM 0 HG3 LYS A 235 8.159 0.476 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 235 7.855 1.356 -5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 235 8.350 -0.273 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 235 9.765 2.265 -6.471 1.00 0.00 H new ATOM 0 HE3 LYS A 235 10.282 1.257 -5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 11.551 0.472 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 10.249 -0.617 -6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 10.326 0.664 -8.020 1.00 0.00 H new ATOM 233 N VAL A 236 6.154 4.873 -5.460 1.00 0.00 N ATOM 234 CA VAL A 236 6.133 6.325 -5.328 1.00 0.00 C ATOM 235 C VAL A 236 7.007 6.986 -6.388 1.00 0.00 C ATOM 236 O VAL A 236 8.177 6.638 -6.548 1.00 0.00 O ATOM 237 CB VAL A 236 6.613 6.769 -3.933 1.00 0.00 C ATOM 238 CG1 VAL A 236 7.147 8.192 -3.980 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.486 6.646 -2.918 1.00 0.00 C ATOM 0 H VAL A 236 6.378 4.374 -4.599 1.00 0.00 H new ATOM 0 HA VAL A 236 5.099 6.640 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 236 7.425 6.112 -3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.481 8.488 -2.986 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.985 8.243 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 236 6.358 8.866 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 236 5.843 6.964 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.651 7.277 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.156 5.609 -2.865 1.00 0.00 H new ATOM 249 N TYR A 237 6.431 7.941 -7.109 1.00 0.00 N ATOM 250 CA TYR A 237 7.157 8.651 -8.156 1.00 0.00 C ATOM 251 C TYR A 237 6.670 10.091 -8.277 1.00 0.00 C ATOM 252 O TYR A 237 5.595 10.437 -7.789 1.00 0.00 O ATOM 253 CB TYR A 237 6.993 7.931 -9.496 1.00 0.00 C ATOM 254 CG TYR A 237 5.792 8.394 -10.289 1.00 0.00 C ATOM 255 CD1 TYR A 237 4.502 8.200 -9.809 1.00 0.00 C ATOM 256 CD2 TYR A 237 5.945 9.024 -11.518 1.00 0.00 C ATOM 257 CE1 TYR A 237 3.401 8.620 -10.530 1.00 0.00 C ATOM 258 CE2 TYR A 237 4.850 9.449 -12.245 1.00 0.00 C ATOM 259 CZ TYR A 237 3.580 9.245 -11.747 1.00 0.00 C ATOM 260 OH TYR A 237 2.487 9.665 -12.469 1.00 0.00 O ATOM 0 H TYR A 237 5.464 8.242 -6.988 1.00 0.00 H new ATOM 0 HA TYR A 237 8.213 8.666 -7.885 1.00 0.00 H new ATOM 0 HB2 TYR A 237 7.892 8.083 -10.093 1.00 0.00 H new ATOM 0 HB3 TYR A 237 6.907 6.860 -9.315 1.00 0.00 H new ATOM 0 HD1 TYR A 237 4.358 7.713 -8.856 1.00 0.00 H new ATOM 0 HD2 TYR A 237 6.938 9.184 -11.912 1.00 0.00 H new ATOM 0 HE1 TYR A 237 2.405 8.460 -10.143 1.00 0.00 H new ATOM 0 HE2 TYR A 237 4.988 9.938 -13.198 1.00 0.00 H new ATOM 0 HH TYR A 237 1.806 10.015 -11.857 1.00 0.00 H new ATOM 270 N ASN A 238 7.470 10.927 -8.931 1.00 0.00 N ATOM 271 CA ASN A 238 7.122 12.331 -9.116 1.00 0.00 C ATOM 272 C ASN A 238 6.278 12.520 -10.373 1.00 0.00 C ATOM 273 O ASN A 238 6.755 12.318 -11.490 1.00 0.00 O ATOM 274 CB ASN A 238 8.388 13.185 -9.206 1.00 0.00 C ATOM 275 CG ASN A 238 9.157 13.217 -7.899 1.00 0.00 C ATOM 276 OD1 ASN A 238 9.273 12.064 -7.252 1.00 0.00 O flip ATOM 277 ND2 ASN A 238 9.641 14.268 -7.477 1.00 0.00 N flip ATOM 0 H ASN A 238 8.364 10.656 -9.342 1.00 0.00 H new ATOM 0 HA ASN A 238 6.537 12.651 -8.254 1.00 0.00 H new ATOM 0 HB2 ASN A 238 9.032 12.794 -9.994 1.00 0.00 H new ATOM 0 HB3 ASN A 238 8.118 14.202 -9.491 1.00 0.00 H new ATOM 0 HD21 ASN A 238 9.527 15.131 -8.008 1.00 0.00 H new ATOM 0 HD22 ASN A 238 10.156 14.275 -6.596 1.00 0.00 H new ATOM 284 N TYR A 239 5.022 12.910 -10.182 1.00 0.00 N ATOM 285 CA TYR A 239 4.111 13.125 -11.300 1.00 0.00 C ATOM 286 C TYR A 239 4.602 14.260 -12.193 1.00 0.00 C ATOM 287 O TYR A 239 5.302 15.166 -11.738 1.00 0.00 O ATOM 288 CB TYR A 239 2.705 13.438 -10.786 1.00 0.00 C ATOM 289 CG TYR A 239 1.879 12.205 -10.492 1.00 0.00 C ATOM 290 CD1 TYR A 239 2.006 11.532 -9.283 1.00 0.00 C ATOM 291 CD2 TYR A 239 0.974 11.713 -11.424 1.00 0.00 C ATOM 292 CE1 TYR A 239 1.254 10.405 -9.011 1.00 0.00 C ATOM 293 CE2 TYR A 239 0.217 10.588 -11.160 1.00 0.00 C ATOM 294 CZ TYR A 239 0.361 9.937 -9.952 1.00 0.00 C ATOM 295 OH TYR A 239 -0.390 8.815 -9.686 1.00 0.00 O ATOM 0 H TYR A 239 4.612 13.083 -9.264 1.00 0.00 H new ATOM 0 HA TYR A 239 4.080 12.210 -11.891 1.00 0.00 H new ATOM 0 HB2 TYR A 239 2.784 14.037 -9.879 1.00 0.00 H new ATOM 0 HB3 TYR A 239 2.184 14.046 -11.525 1.00 0.00 H new ATOM 0 HD1 TYR A 239 2.704 11.896 -8.544 1.00 0.00 H new ATOM 0 HD2 TYR A 239 0.860 12.219 -12.371 1.00 0.00 H new ATOM 0 HE1 TYR A 239 1.365 9.893 -8.066 1.00 0.00 H new ATOM 0 HE2 TYR A 239 -0.484 10.220 -11.895 1.00 0.00 H new ATOM 0 HH TYR A 239 -0.353 8.616 -8.727 1.00 0.00 H new ATOM 305 N LYS A 240 4.229 14.206 -13.467 1.00 0.00 N ATOM 306 CA LYS A 240 4.629 15.229 -14.426 1.00 0.00 C ATOM 307 C LYS A 240 3.445 15.659 -15.287 1.00 0.00 C ATOM 308 O LYS A 240 3.612 16.375 -16.274 1.00 0.00 O ATOM 309 CB LYS A 240 5.759 14.708 -15.317 1.00 0.00 C ATOM 310 CG LYS A 240 6.498 15.805 -16.065 1.00 0.00 C ATOM 311 CD LYS A 240 7.892 15.359 -16.473 1.00 0.00 C ATOM 312 CE LYS A 240 8.691 16.507 -17.072 1.00 0.00 C ATOM 313 NZ LYS A 240 7.985 17.133 -18.223 1.00 0.00 N ATOM 0 H LYS A 240 3.650 13.464 -13.860 1.00 0.00 H new ATOM 0 HA LYS A 240 4.985 16.096 -13.869 1.00 0.00 H new ATOM 0 HB2 LYS A 240 6.470 14.156 -14.702 1.00 0.00 H new ATOM 0 HB3 LYS A 240 5.346 14.003 -16.038 1.00 0.00 H new ATOM 0 HG2 LYS A 240 5.931 16.088 -16.952 1.00 0.00 H new ATOM 0 HG3 LYS A 240 6.568 16.692 -15.436 1.00 0.00 H new ATOM 0 HD2 LYS A 240 8.417 14.963 -15.604 1.00 0.00 H new ATOM 0 HD3 LYS A 240 7.818 14.548 -17.198 1.00 0.00 H new ATOM 0 HE2 LYS A 240 8.875 17.260 -16.306 1.00 0.00 H new ATOM 0 HE3 LYS A 240 9.664 16.140 -17.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 8.627 17.792 -18.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 7.682 16.393 -18.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 7.152 17.652 -17.879 1.00 0.00 H new ATOM 327 N SER A 241 2.251 15.218 -14.906 1.00 0.00 N ATOM 328 CA SER A 241 1.040 15.556 -15.644 1.00 0.00 C ATOM 329 C SER A 241 -0.206 15.189 -14.843 1.00 0.00 C ATOM 330 O SER A 241 -0.188 14.299 -13.992 1.00 0.00 O ATOM 331 CB SER A 241 1.022 14.836 -16.994 1.00 0.00 C ATOM 332 OG SER A 241 1.792 15.536 -17.956 1.00 0.00 O ATOM 0 H SER A 241 2.096 14.626 -14.090 1.00 0.00 H new ATOM 0 HA SER A 241 1.037 16.633 -15.814 1.00 0.00 H new ATOM 0 HB2 SER A 241 1.413 13.826 -16.876 1.00 0.00 H new ATOM 0 HB3 SER A 241 -0.005 14.741 -17.345 1.00 0.00 H new ATOM 0 HG SER A 241 2.426 16.128 -17.500 1.00 0.00 H new ATOM 338 N PRO A 242 -1.315 15.891 -15.120 1.00 0.00 N ATOM 339 CA PRO A 242 -2.591 15.657 -14.437 1.00 0.00 C ATOM 340 C PRO A 242 -3.220 14.323 -14.824 1.00 0.00 C ATOM 341 O PRO A 242 -3.467 14.060 -16.002 1.00 0.00 O ATOM 342 CB PRO A 242 -3.466 16.820 -14.913 1.00 0.00 C ATOM 343 CG PRO A 242 -2.888 17.215 -16.228 1.00 0.00 C ATOM 344 CD PRO A 242 -1.409 16.966 -16.122 1.00 0.00 C ATOM 0 HA PRO A 242 -2.472 15.611 -13.355 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -4.508 16.516 -15.014 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -3.443 17.649 -14.205 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -3.325 16.631 -17.038 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -3.093 18.263 -16.445 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.983 16.662 -17.078 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.873 17.860 -15.804 1.00 0.00 H new ATOM 352 N THR A 243 -3.477 13.484 -13.826 1.00 0.00 N ATOM 353 CA THR A 243 -4.077 12.177 -14.063 1.00 0.00 C ATOM 354 C THR A 243 -5.424 12.054 -13.358 1.00 0.00 C ATOM 355 O THR A 243 -5.742 12.839 -12.465 1.00 0.00 O ATOM 356 CB THR A 243 -3.155 11.040 -13.584 1.00 0.00 C ATOM 357 OG1 THR A 243 -2.416 11.462 -12.431 1.00 0.00 O ATOM 358 CG2 THR A 243 -2.191 10.624 -14.685 1.00 0.00 C ATOM 0 H THR A 243 -3.279 13.686 -12.846 1.00 0.00 H new ATOM 0 HA THR A 243 -4.223 12.087 -15.139 1.00 0.00 H new ATOM 0 HB THR A 243 -3.777 10.183 -13.324 1.00 0.00 H new ATOM 0 HG1 THR A 243 -1.459 11.475 -12.642 1.00 0.00 H new ATOM 0 HG21 THR A 243 -1.550 9.820 -14.323 1.00 0.00 H new ATOM 0 HG22 THR A 243 -2.755 10.277 -15.551 1.00 0.00 H new ATOM 0 HG23 THR A 243 -1.576 11.477 -14.971 1.00 0.00 H new ATOM 366 N PHE A 244 -6.211 11.064 -13.765 1.00 0.00 N ATOM 367 CA PHE A 244 -7.524 10.839 -13.173 1.00 0.00 C ATOM 368 C PHE A 244 -7.610 9.447 -12.554 1.00 0.00 C ATOM 369 O PHE A 244 -7.741 8.447 -13.262 1.00 0.00 O ATOM 370 CB PHE A 244 -8.619 11.009 -14.228 1.00 0.00 C ATOM 371 CG PHE A 244 -9.001 12.442 -14.470 1.00 0.00 C ATOM 372 CD1 PHE A 244 -9.822 13.114 -13.580 1.00 0.00 C ATOM 373 CD2 PHE A 244 -8.537 13.116 -15.589 1.00 0.00 C ATOM 374 CE1 PHE A 244 -10.175 14.432 -13.800 1.00 0.00 C ATOM 375 CE2 PHE A 244 -8.886 14.434 -15.813 1.00 0.00 C ATOM 376 CZ PHE A 244 -9.707 15.093 -14.919 1.00 0.00 C ATOM 0 H PHE A 244 -5.962 10.405 -14.502 1.00 0.00 H new ATOM 0 HA PHE A 244 -7.671 11.578 -12.385 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -8.281 10.568 -15.166 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -9.503 10.453 -13.915 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -10.191 12.602 -12.704 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -7.896 12.606 -16.293 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -10.816 14.944 -13.098 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -8.517 14.949 -16.687 1.00 0.00 H new ATOM 0 HZ PHE A 244 -9.982 16.122 -15.094 1.00 0.00 H new ATOM 386 N CYS A 245 -7.535 9.389 -11.229 1.00 0.00 N ATOM 387 CA CYS A 245 -7.603 8.120 -10.513 1.00 0.00 C ATOM 388 C CYS A 245 -8.638 7.194 -11.145 1.00 0.00 C ATOM 389 O CYS A 245 -9.784 7.586 -11.365 1.00 0.00 O ATOM 390 CB CYS A 245 -7.947 8.359 -9.042 1.00 0.00 C ATOM 391 SG CYS A 245 -7.291 7.092 -7.909 1.00 0.00 S ATOM 0 H CYS A 245 -7.427 10.206 -10.628 1.00 0.00 H new ATOM 0 HA CYS A 245 -6.626 7.642 -10.578 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.560 9.333 -8.743 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -9.031 8.400 -8.936 1.00 0.00 H new ATOM 396 N GLU A 246 -8.225 5.964 -11.434 1.00 0.00 N ATOM 397 CA GLU A 246 -9.117 4.983 -12.041 1.00 0.00 C ATOM 398 C GLU A 246 -9.912 4.236 -10.974 1.00 0.00 C ATOM 399 O GLU A 246 -10.602 3.259 -11.267 1.00 0.00 O ATOM 400 CB GLU A 246 -8.317 3.988 -12.886 1.00 0.00 C ATOM 401 CG GLU A 246 -7.655 4.616 -14.101 1.00 0.00 C ATOM 402 CD GLU A 246 -6.265 5.142 -13.801 1.00 0.00 C ATOM 403 OE1 GLU A 246 -5.773 4.914 -12.677 1.00 0.00 O ATOM 404 OE2 GLU A 246 -5.669 5.782 -14.692 1.00 0.00 O ATOM 0 H GLU A 246 -7.280 5.623 -11.258 1.00 0.00 H new ATOM 0 HA GLU A 246 -9.817 5.516 -12.684 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -7.551 3.528 -12.262 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -8.981 3.189 -13.217 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -7.595 3.877 -14.900 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -8.277 5.432 -14.468 1.00 0.00 H new ATOM 411 N HIS A 247 -9.809 4.703 -9.733 1.00 0.00 N ATOM 412 CA HIS A 247 -10.518 4.080 -8.621 1.00 0.00 C ATOM 413 C HIS A 247 -11.579 5.021 -8.058 1.00 0.00 C ATOM 414 O HIS A 247 -12.777 4.798 -8.233 1.00 0.00 O ATOM 415 CB HIS A 247 -9.534 3.684 -7.520 1.00 0.00 C ATOM 416 CG HIS A 247 -10.187 3.028 -6.342 1.00 0.00 C ATOM 417 ND1 HIS A 247 -10.475 1.680 -6.295 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.605 3.542 -5.162 1.00 0.00 C ATOM 419 CE1 HIS A 247 -11.045 1.394 -5.138 1.00 0.00 C ATOM 420 NE2 HIS A 247 -11.135 2.507 -4.431 1.00 0.00 N ATOM 0 H HIS A 247 -9.242 5.510 -9.473 1.00 0.00 H new ATOM 0 HA HIS A 247 -11.014 3.184 -8.994 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.789 3.006 -7.936 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -9.002 4.573 -7.182 1.00 0.00 H new ATOM 0 HD1 HIS A 247 -10.279 1.009 -7.038 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.535 4.574 -4.853 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -11.380 0.417 -4.823 1.00 0.00 H new ATOM 428 N CYS A 248 -11.130 6.072 -7.380 1.00 0.00 N ATOM 429 CA CYS A 248 -12.040 7.047 -6.790 1.00 0.00 C ATOM 430 C CYS A 248 -12.625 7.963 -7.861 1.00 0.00 C ATOM 431 O CYS A 248 -13.785 8.365 -7.782 1.00 0.00 O ATOM 432 CB CYS A 248 -11.312 7.879 -5.732 1.00 0.00 C ATOM 433 SG CYS A 248 -10.035 8.989 -6.409 1.00 0.00 S ATOM 0 H CYS A 248 -10.141 6.270 -7.225 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.858 6.504 -6.316 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -12.044 8.475 -5.186 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.848 7.206 -5.011 1.00 0.00 H new ATOM 438 N GLY A 249 -11.812 8.290 -8.861 1.00 0.00 N ATOM 439 CA GLY A 249 -12.266 9.156 -9.933 1.00 0.00 C ATOM 440 C GLY A 249 -12.064 10.624 -9.617 1.00 0.00 C ATOM 441 O GLY A 249 -12.939 11.450 -9.877 1.00 0.00 O ATOM 0 H GLY A 249 -10.847 7.971 -8.948 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -11.729 8.907 -10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -13.323 8.970 -10.123 1.00 0.00 H new ATOM 445 N THR A 250 -10.906 10.953 -9.053 1.00 0.00 N ATOM 446 CA THR A 250 -10.592 12.331 -8.698 1.00 0.00 C ATOM 447 C THR A 250 -9.141 12.666 -9.024 1.00 0.00 C ATOM 448 O THR A 250 -8.303 11.774 -9.161 1.00 0.00 O ATOM 449 CB THR A 250 -10.844 12.597 -7.202 1.00 0.00 C ATOM 450 OG1 THR A 250 -9.892 11.880 -6.409 1.00 0.00 O ATOM 451 CG2 THR A 250 -12.254 12.182 -6.809 1.00 0.00 C ATOM 0 H THR A 250 -10.169 10.283 -8.832 1.00 0.00 H new ATOM 0 HA THR A 250 -11.251 12.967 -9.289 1.00 0.00 H new ATOM 0 HB THR A 250 -10.733 13.666 -7.022 1.00 0.00 H new ATOM 0 HG1 THR A 250 -10.233 10.981 -6.222 1.00 0.00 H new ATOM 0 HG21 THR A 250 -12.409 12.379 -5.748 1.00 0.00 H new ATOM 0 HG22 THR A 250 -12.977 12.751 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 250 -12.388 11.118 -7.004 1.00 0.00 H new ATOM 459 N LEU A 251 -8.850 13.956 -9.147 1.00 0.00 N ATOM 460 CA LEU A 251 -7.498 14.410 -9.457 1.00 0.00 C ATOM 461 C LEU A 251 -6.531 14.043 -8.336 1.00 0.00 C ATOM 462 O LEU A 251 -6.921 13.437 -7.338 1.00 0.00 O ATOM 463 CB LEU A 251 -7.486 15.923 -9.682 1.00 0.00 C ATOM 464 CG LEU A 251 -7.887 16.396 -11.080 1.00 0.00 C ATOM 465 CD1 LEU A 251 -9.393 16.588 -11.166 1.00 0.00 C ATOM 466 CD2 LEU A 251 -7.162 17.686 -11.434 1.00 0.00 C ATOM 0 H LEU A 251 -9.532 14.707 -9.037 1.00 0.00 H new ATOM 0 HA LEU A 251 -7.173 13.911 -10.370 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -8.158 16.383 -8.958 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -6.484 16.294 -9.468 1.00 0.00 H new ATOM 0 HG LEU A 251 -7.597 15.630 -11.800 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -9.660 16.925 -12.168 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -9.893 15.643 -10.956 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -9.707 17.335 -10.436 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -7.459 18.008 -12.432 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -7.421 18.459 -10.711 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -6.086 17.516 -11.413 1.00 0.00 H new ATOM 478 N LEU A 252 -5.268 14.417 -8.506 1.00 0.00 N ATOM 479 CA LEU A 252 -4.243 14.130 -7.508 1.00 0.00 C ATOM 480 C LEU A 252 -2.941 14.852 -7.840 1.00 0.00 C ATOM 481 O LEU A 252 -2.399 14.701 -8.935 1.00 0.00 O ATOM 482 CB LEU A 252 -3.997 12.623 -7.421 1.00 0.00 C ATOM 483 CG LEU A 252 -3.028 12.041 -8.451 1.00 0.00 C ATOM 484 CD1 LEU A 252 -2.770 10.569 -8.169 1.00 0.00 C ATOM 485 CD2 LEU A 252 -3.572 12.228 -9.860 1.00 0.00 C ATOM 0 H LEU A 252 -4.929 14.920 -9.326 1.00 0.00 H new ATOM 0 HA LEU A 252 -4.599 14.490 -6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -3.618 12.394 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -4.954 12.112 -7.523 1.00 0.00 H new ATOM 0 HG LEU A 252 -2.082 12.576 -8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -2.078 10.172 -8.912 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -2.337 10.459 -7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -3.710 10.019 -8.218 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -2.870 11.808 -10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -4.532 11.719 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -3.705 13.291 -10.061 1.00 0.00 H new ATOM 497 N TRP A 253 -2.445 15.634 -6.889 1.00 0.00 N ATOM 498 CA TRP A 253 -1.205 16.377 -7.080 1.00 0.00 C ATOM 499 C TRP A 253 -0.764 17.044 -5.782 1.00 0.00 C ATOM 500 O TRP A 253 -1.588 17.356 -4.922 1.00 0.00 O ATOM 501 CB TRP A 253 -1.382 17.431 -8.175 1.00 0.00 C ATOM 502 CG TRP A 253 -0.250 18.412 -8.243 1.00 0.00 C ATOM 503 CD1 TRP A 253 -0.103 19.545 -7.496 1.00 0.00 C ATOM 504 CD2 TRP A 253 0.890 18.346 -9.107 1.00 0.00 C ATOM 505 NE1 TRP A 253 1.061 20.189 -7.844 1.00 0.00 N ATOM 506 CE2 TRP A 253 1.688 19.473 -8.829 1.00 0.00 C ATOM 507 CE3 TRP A 253 1.315 17.445 -10.086 1.00 0.00 C ATOM 508 CZ2 TRP A 253 2.884 19.720 -9.497 1.00 0.00 C ATOM 509 CZ3 TRP A 253 2.502 17.692 -10.748 1.00 0.00 C ATOM 510 CH2 TRP A 253 3.276 18.821 -10.451 1.00 0.00 C ATOM 0 H TRP A 253 -2.882 15.770 -5.978 1.00 0.00 H new ATOM 0 HA TRP A 253 -0.432 15.672 -7.385 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -1.479 16.931 -9.139 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -2.312 17.972 -8.002 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -0.798 19.885 -6.743 1.00 0.00 H new ATOM 0 HE1 TRP A 253 1.402 21.059 -7.435 1.00 0.00 H new ATOM 0 HE3 TRP A 253 0.726 16.571 -10.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 3.481 20.591 -9.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 2.839 17.003 -11.508 1.00 0.00 H new ATOM 0 HH2 TRP A 253 4.200 18.985 -10.985 1.00 0.00 H new ATOM 521 N GLY A 254 0.540 17.262 -5.646 1.00 0.00 N ATOM 522 CA GLY A 254 1.067 17.891 -4.449 1.00 0.00 C ATOM 523 C GLY A 254 2.555 17.659 -4.278 1.00 0.00 C ATOM 524 O GLY A 254 3.356 18.078 -5.115 1.00 0.00 O ATOM 0 H GLY A 254 1.241 17.014 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 254 0.872 18.963 -4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 254 0.540 17.504 -3.577 1.00 0.00 H new ATOM 528 N LEU A 255 2.927 16.990 -3.192 1.00 0.00 N ATOM 529 CA LEU A 255 4.330 16.704 -2.913 1.00 0.00 C ATOM 530 C LEU A 255 4.894 15.709 -3.923 1.00 0.00 C ATOM 531 O LEU A 255 4.147 14.987 -4.581 1.00 0.00 O ATOM 532 CB LEU A 255 4.487 16.153 -1.495 1.00 0.00 C ATOM 533 CG LEU A 255 4.535 17.191 -0.373 1.00 0.00 C ATOM 534 CD1 LEU A 255 5.903 17.854 -0.319 1.00 0.00 C ATOM 535 CD2 LEU A 255 3.443 18.233 -0.563 1.00 0.00 C ATOM 0 H LEU A 255 2.277 16.636 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 255 4.889 17.636 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 255 3.659 15.472 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 255 5.402 15.562 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 255 4.362 16.682 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 255 5.919 18.590 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 255 6.667 17.098 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 255 6.105 18.350 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 255 3.492 18.963 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 255 3.585 18.738 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 255 2.468 17.745 -0.552 1.00 0.00 H new ATOM 547 N ALA A 256 6.218 15.677 -4.037 1.00 0.00 N ATOM 548 CA ALA A 256 6.882 14.767 -4.963 1.00 0.00 C ATOM 549 C ALA A 256 6.383 13.338 -4.781 1.00 0.00 C ATOM 550 O ALA A 256 6.012 12.672 -5.749 1.00 0.00 O ATOM 551 CB ALA A 256 8.390 14.830 -4.773 1.00 0.00 C ATOM 0 H ALA A 256 6.851 16.270 -3.500 1.00 0.00 H new ATOM 0 HA ALA A 256 6.641 15.081 -5.979 1.00 0.00 H new ATOM 0 HB1 ALA A 256 8.873 14.146 -5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 256 8.738 15.846 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 256 8.640 14.544 -3.752 1.00 0.00 H new ATOM 557 N ARG A 257 6.377 12.872 -3.537 1.00 0.00 N ATOM 558 CA ARG A 257 5.925 11.520 -3.230 1.00 0.00 C ATOM 559 C ARG A 257 4.401 11.446 -3.217 1.00 0.00 C ATOM 560 O ARG A 257 3.805 10.900 -2.289 1.00 0.00 O ATOM 561 CB ARG A 257 6.479 11.069 -1.877 1.00 0.00 C ATOM 562 CG ARG A 257 7.980 10.831 -1.883 1.00 0.00 C ATOM 563 CD ARG A 257 8.749 12.112 -1.599 1.00 0.00 C ATOM 564 NE ARG A 257 10.108 11.844 -1.136 1.00 0.00 N ATOM 565 CZ ARG A 257 10.998 12.796 -0.880 1.00 0.00 C ATOM 566 NH1 ARG A 257 10.674 14.072 -1.040 1.00 0.00 N ATOM 567 NH2 ARG A 257 12.215 12.473 -0.461 1.00 0.00 N ATOM 0 H ARG A 257 6.680 13.410 -2.725 1.00 0.00 H new ATOM 0 HA ARG A 257 6.298 10.854 -4.008 1.00 0.00 H new ATOM 0 HB2 ARG A 257 6.242 11.824 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 257 5.975 10.151 -1.575 1.00 0.00 H new ATOM 0 HG2 ARG A 257 8.233 10.080 -1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 257 8.282 10.431 -2.851 1.00 0.00 H new ATOM 0 HD2 ARG A 257 8.787 12.720 -2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 257 8.218 12.694 -0.846 1.00 0.00 H new ATOM 0 HE ARG A 257 10.389 10.873 -1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 257 9.739 14.324 -1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 257 11.360 14.801 -0.843 1.00 0.00 H new ATOM 0 HH21 ARG A 257 12.468 11.493 -0.335 1.00 0.00 H new ATOM 0 HH22 ARG A 257 12.898 13.205 -0.265 1.00 0.00 H new ATOM 581 N GLN A 258 3.778 11.999 -4.253 1.00 0.00 N ATOM 582 CA GLN A 258 2.324 11.997 -4.359 1.00 0.00 C ATOM 583 C GLN A 258 1.849 10.891 -5.296 1.00 0.00 C ATOM 584 O GLN A 258 2.520 10.560 -6.272 1.00 0.00 O ATOM 585 CB GLN A 258 1.826 13.354 -4.859 1.00 0.00 C ATOM 586 CG GLN A 258 1.646 14.381 -3.753 1.00 0.00 C ATOM 587 CD GLN A 258 0.315 14.244 -3.040 1.00 0.00 C ATOM 588 OE1 GLN A 258 -0.761 14.627 -3.716 1.00 0.00 O flip ATOM 589 NE2 GLN A 258 0.255 13.799 -1.893 1.00 0.00 N flip ATOM 0 H GLN A 258 4.257 12.454 -5.030 1.00 0.00 H new ATOM 0 HA GLN A 258 1.912 11.810 -3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 258 2.532 13.743 -5.593 1.00 0.00 H new ATOM 0 HB3 GLN A 258 0.875 13.216 -5.373 1.00 0.00 H new ATOM 0 HG2 GLN A 258 2.454 14.275 -3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 258 1.726 15.382 -4.176 1.00 0.00 H new ATOM 0 HE21 GLN A 258 1.108 13.516 -1.410 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -0.648 13.713 -1.426 1.00 0.00 H new ATOM 598 N GLY A 259 0.686 10.323 -4.991 1.00 0.00 N ATOM 599 CA GLY A 259 0.141 9.260 -5.815 1.00 0.00 C ATOM 600 C GLY A 259 1.138 8.143 -6.055 1.00 0.00 C ATOM 601 O GLY A 259 2.274 8.203 -5.582 1.00 0.00 O ATOM 0 H GLY A 259 0.112 10.580 -4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.748 8.852 -5.335 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.175 9.673 -6.773 1.00 0.00 H new ATOM 605 N LEU A 260 0.714 7.122 -6.791 1.00 0.00 N ATOM 606 CA LEU A 260 1.578 5.985 -7.092 1.00 0.00 C ATOM 607 C LEU A 260 1.334 5.477 -8.510 1.00 0.00 C ATOM 608 O LEU A 260 0.241 5.628 -9.056 1.00 0.00 O ATOM 609 CB LEU A 260 1.340 4.858 -6.086 1.00 0.00 C ATOM 610 CG LEU A 260 1.518 5.225 -4.612 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.942 4.138 -3.718 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.989 5.455 -4.295 1.00 0.00 C ATOM 0 H LEU A 260 -0.222 7.058 -7.190 1.00 0.00 H new ATOM 0 HA LEU A 260 2.614 6.317 -7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.327 4.481 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.020 4.039 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 260 0.975 6.150 -4.419 1.00 0.00 H new ATOM 0 HD11 LEU A 260 1.078 4.417 -2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.121 4.021 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.456 3.197 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 260 3.098 5.715 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.553 4.546 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.371 6.269 -4.911 1.00 0.00 H new ATOM 624 N LYS A 261 2.360 4.872 -9.100 1.00 0.00 N ATOM 625 CA LYS A 261 2.258 4.338 -10.452 1.00 0.00 C ATOM 626 C LYS A 261 2.771 2.902 -10.510 1.00 0.00 C ATOM 627 O LYS A 261 3.946 2.642 -10.250 1.00 0.00 O ATOM 628 CB LYS A 261 3.047 5.212 -11.429 1.00 0.00 C ATOM 629 CG LYS A 261 3.075 4.668 -12.847 1.00 0.00 C ATOM 630 CD LYS A 261 3.256 5.778 -13.868 1.00 0.00 C ATOM 631 CE LYS A 261 4.727 6.071 -14.119 1.00 0.00 C ATOM 632 NZ LYS A 261 5.516 6.073 -12.855 1.00 0.00 N ATOM 0 H LYS A 261 3.272 4.740 -8.662 1.00 0.00 H new ATOM 0 HA LYS A 261 1.206 4.342 -10.739 1.00 0.00 H new ATOM 0 HB2 LYS A 261 2.613 6.212 -11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.070 5.313 -11.068 1.00 0.00 H new ATOM 0 HG2 LYS A 261 3.887 3.947 -12.945 1.00 0.00 H new ATOM 0 HG3 LYS A 261 2.147 4.133 -13.051 1.00 0.00 H new ATOM 0 HD2 LYS A 261 2.776 5.494 -14.804 1.00 0.00 H new ATOM 0 HD3 LYS A 261 2.759 6.682 -13.516 1.00 0.00 H new ATOM 0 HE2 LYS A 261 5.135 5.324 -14.800 1.00 0.00 H new ATOM 0 HE3 LYS A 261 4.826 7.039 -14.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 6.499 6.343 -13.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 5.102 6.755 -12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 5.499 5.122 -12.433 1.00 0.00 H new ATOM 646 N CYS A 262 1.884 1.975 -10.854 1.00 0.00 N ATOM 647 CA CYS A 262 2.247 0.566 -10.948 1.00 0.00 C ATOM 648 C CYS A 262 3.447 0.374 -11.870 1.00 0.00 C ATOM 649 O CYS A 262 3.563 1.035 -12.902 1.00 0.00 O ATOM 650 CB CYS A 262 1.061 -0.255 -11.458 1.00 0.00 C ATOM 651 SG CYS A 262 1.120 -2.015 -10.991 1.00 0.00 S ATOM 0 H CYS A 262 0.908 2.174 -11.073 1.00 0.00 H new ATOM 0 HA CYS A 262 2.518 0.219 -9.951 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.139 0.181 -11.074 1.00 0.00 H new ATOM 0 HB3 CYS A 262 1.021 -0.179 -12.545 1.00 0.00 H new ATOM 656 N ASP A 263 4.338 -0.536 -11.491 1.00 0.00 N ATOM 657 CA ASP A 263 5.529 -0.818 -12.284 1.00 0.00 C ATOM 658 C ASP A 263 5.358 -2.106 -13.083 1.00 0.00 C ATOM 659 O ASP A 263 6.302 -2.592 -13.705 1.00 0.00 O ATOM 660 CB ASP A 263 6.757 -0.923 -11.379 1.00 0.00 C ATOM 661 CG ASP A 263 8.034 -0.517 -12.087 1.00 0.00 C ATOM 662 OD1 ASP A 263 8.297 -1.045 -13.188 1.00 0.00 O ATOM 663 OD2 ASP A 263 8.771 0.330 -11.541 1.00 0.00 O ATOM 0 H ASP A 263 4.258 -1.091 -10.639 1.00 0.00 H new ATOM 0 HA ASP A 263 5.673 0.005 -12.984 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.614 -0.291 -10.503 1.00 0.00 H new ATOM 0 HB3 ASP A 263 6.854 -1.948 -11.020 1.00 0.00 H new ATOM 668 N ALA A 264 4.147 -2.654 -13.061 1.00 0.00 N ATOM 669 CA ALA A 264 3.853 -3.885 -13.783 1.00 0.00 C ATOM 670 C ALA A 264 2.925 -3.620 -14.964 1.00 0.00 C ATOM 671 O ALA A 264 3.328 -3.738 -16.122 1.00 0.00 O ATOM 672 CB ALA A 264 3.235 -4.913 -12.846 1.00 0.00 C ATOM 0 H ALA A 264 3.354 -2.264 -12.551 1.00 0.00 H new ATOM 0 HA ALA A 264 4.791 -4.281 -14.172 1.00 0.00 H new ATOM 0 HB1 ALA A 264 3.021 -5.827 -13.399 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.932 -5.133 -12.037 1.00 0.00 H new ATOM 0 HB3 ALA A 264 2.309 -4.516 -12.430 1.00 0.00 H new ATOM 678 N CYS A 265 1.681 -3.262 -14.665 1.00 0.00 N ATOM 679 CA CYS A 265 0.695 -2.981 -15.702 1.00 0.00 C ATOM 680 C CYS A 265 0.821 -1.543 -16.196 1.00 0.00 C ATOM 681 O CYS A 265 0.813 -1.286 -17.399 1.00 0.00 O ATOM 682 CB CYS A 265 -0.718 -3.229 -15.172 1.00 0.00 C ATOM 683 SG CYS A 265 -1.245 -2.054 -13.883 1.00 0.00 S ATOM 0 H CYS A 265 1.331 -3.160 -13.712 1.00 0.00 H new ATOM 0 HA CYS A 265 0.884 -3.652 -16.540 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.421 -3.179 -16.004 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.772 -4.241 -14.770 1.00 0.00 H new ATOM 688 N GLY A 266 0.936 -0.608 -15.257 1.00 0.00 N ATOM 689 CA GLY A 266 1.062 0.792 -15.616 1.00 0.00 C ATOM 690 C GLY A 266 -0.196 1.583 -15.315 1.00 0.00 C ATOM 691 O GLY A 266 -0.819 2.140 -16.218 1.00 0.00 O ATOM 0 H GLY A 266 0.944 -0.796 -14.254 1.00 0.00 H new ATOM 0 HA2 GLY A 266 1.901 1.229 -15.074 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.293 0.872 -16.678 1.00 0.00 H new ATOM 695 N MET A 267 -0.572 1.631 -14.041 1.00 0.00 N ATOM 696 CA MET A 267 -1.764 2.360 -13.623 1.00 0.00 C ATOM 697 C MET A 267 -1.418 3.414 -12.576 1.00 0.00 C ATOM 698 O MET A 267 -0.528 3.214 -11.751 1.00 0.00 O ATOM 699 CB MET A 267 -2.809 1.392 -13.063 1.00 0.00 C ATOM 700 CG MET A 267 -4.106 2.069 -12.654 1.00 0.00 C ATOM 701 SD MET A 267 -5.419 0.890 -12.284 1.00 0.00 S ATOM 702 CE MET A 267 -4.482 -0.428 -11.513 1.00 0.00 C ATOM 0 H MET A 267 -0.069 1.174 -13.281 1.00 0.00 H new ATOM 0 HA MET A 267 -2.177 2.864 -14.497 1.00 0.00 H new ATOM 0 HB2 MET A 267 -3.026 0.631 -13.813 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.389 0.877 -12.199 1.00 0.00 H new ATOM 0 HG2 MET A 267 -3.925 2.692 -11.778 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.433 2.732 -13.455 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.167 -1.150 -11.069 1.00 0.00 H new ATOM 0 HE2 MET A 267 -3.868 -0.925 -12.264 1.00 0.00 H new ATOM 0 HE3 MET A 267 -3.840 -0.012 -10.736 1.00 0.00 H new ATOM 712 N ASN A 268 -2.128 4.537 -12.616 1.00 0.00 N ATOM 713 CA ASN A 268 -1.896 5.623 -11.671 1.00 0.00 C ATOM 714 C ASN A 268 -3.075 5.774 -10.715 1.00 0.00 C ATOM 715 O ASN A 268 -4.214 5.961 -11.142 1.00 0.00 O ATOM 716 CB ASN A 268 -1.660 6.936 -12.420 1.00 0.00 C ATOM 717 CG ASN A 268 -0.402 6.901 -13.267 1.00 0.00 C ATOM 718 OD1 ASN A 268 0.696 6.678 -12.758 1.00 0.00 O ATOM 719 ND2 ASN A 268 -0.558 7.123 -14.567 1.00 0.00 N ATOM 0 H ASN A 268 -2.869 4.719 -13.293 1.00 0.00 H new ATOM 0 HA ASN A 268 -1.008 5.380 -11.088 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.518 7.146 -13.058 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -1.589 7.753 -11.702 1.00 0.00 H new ATOM 0 HD21 ASN A 268 0.252 7.113 -15.187 1.00 0.00 H new ATOM 0 HD22 ASN A 268 -1.488 7.304 -14.946 1.00 0.00 H new ATOM 726 N VAL A 269 -2.792 5.692 -9.419 1.00 0.00 N ATOM 727 CA VAL A 269 -3.829 5.821 -8.401 1.00 0.00 C ATOM 728 C VAL A 269 -3.287 6.502 -7.149 1.00 0.00 C ATOM 729 O VAL A 269 -2.075 6.629 -6.973 1.00 0.00 O ATOM 730 CB VAL A 269 -4.410 4.448 -8.015 1.00 0.00 C ATOM 731 CG1 VAL A 269 -4.864 3.693 -9.254 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.389 3.639 -7.230 1.00 0.00 C ATOM 0 H VAL A 269 -1.854 5.537 -9.049 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.621 6.434 -8.831 1.00 0.00 H new ATOM 0 HB VAL A 269 -5.280 4.607 -7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.272 2.725 -8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.632 4.269 -9.770 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.014 3.542 -9.920 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.817 2.672 -6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.498 3.487 -7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -3.119 4.177 -6.321 1.00 0.00 H new ATOM 742 N HIS A 270 -4.194 6.939 -6.280 1.00 0.00 N ATOM 743 CA HIS A 270 -3.807 7.606 -5.042 1.00 0.00 C ATOM 744 C HIS A 270 -3.042 6.655 -4.128 1.00 0.00 C ATOM 745 O HIS A 270 -2.803 5.499 -4.479 1.00 0.00 O ATOM 746 CB HIS A 270 -5.043 8.143 -4.320 1.00 0.00 C ATOM 747 CG HIS A 270 -5.515 9.466 -4.841 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.716 9.631 -5.498 1.00 0.00 N ATOM 749 CD2 HIS A 270 -4.939 10.690 -4.798 1.00 0.00 C ATOM 750 CE1 HIS A 270 -6.858 10.900 -5.837 1.00 0.00 C ATOM 751 NE2 HIS A 270 -5.794 11.564 -5.424 1.00 0.00 N ATOM 0 H HIS A 270 -5.201 6.843 -6.411 1.00 0.00 H new ATOM 0 HA HIS A 270 -3.153 8.440 -5.297 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.851 7.417 -4.411 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.820 8.239 -3.257 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -3.985 10.934 -4.354 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.701 11.323 -6.363 1.00 0.00 H new ATOM 0 HE2 HIS A 270 -5.633 12.563 -5.549 1.00 0.00 H new ATOM 759 N HIS A 271 -2.660 7.148 -2.954 1.00 0.00 N ATOM 760 CA HIS A 271 -1.922 6.341 -1.989 1.00 0.00 C ATOM 761 C HIS A 271 -2.845 5.344 -1.296 1.00 0.00 C ATOM 762 O HIS A 271 -2.458 4.204 -1.034 1.00 0.00 O ATOM 763 CB HIS A 271 -1.249 7.239 -0.950 1.00 0.00 C ATOM 764 CG HIS A 271 -0.082 8.008 -1.488 1.00 0.00 C ATOM 765 ND1 HIS A 271 1.206 7.844 -1.024 1.00 0.00 N ATOM 766 CD2 HIS A 271 -0.013 8.949 -2.459 1.00 0.00 C ATOM 767 CE1 HIS A 271 2.016 8.651 -1.684 1.00 0.00 C ATOM 768 NE2 HIS A 271 1.301 9.333 -2.561 1.00 0.00 N ATOM 0 H HIS A 271 -2.849 8.102 -2.648 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.155 5.785 -2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -1.985 7.940 -0.557 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -0.915 6.625 -0.114 1.00 0.00 H new ATOM 0 HD1 HIS A 271 1.489 7.200 -0.286 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -0.838 9.327 -3.044 1.00 0.00 H new ATOM 0 HE1 HIS A 271 3.082 8.739 -1.533 1.00 0.00 H new ATOM 776 N ARG A 272 -4.065 5.780 -1.001 1.00 0.00 N ATOM 777 CA ARG A 272 -5.042 4.926 -0.336 1.00 0.00 C ATOM 778 C ARG A 272 -5.861 4.141 -1.356 1.00 0.00 C ATOM 779 O ARG A 272 -6.162 2.964 -1.154 1.00 0.00 O ATOM 780 CB ARG A 272 -5.971 5.766 0.543 1.00 0.00 C ATOM 781 CG ARG A 272 -5.311 6.277 1.813 1.00 0.00 C ATOM 782 CD ARG A 272 -6.040 7.488 2.371 1.00 0.00 C ATOM 783 NE ARG A 272 -5.541 8.738 1.803 1.00 0.00 N ATOM 784 CZ ARG A 272 -4.325 9.218 2.038 1.00 0.00 C ATOM 785 NH1 ARG A 272 -3.488 8.557 2.825 1.00 0.00 N ATOM 786 NH2 ARG A 272 -3.943 10.362 1.484 1.00 0.00 N ATOM 0 H ARG A 272 -4.401 6.720 -1.212 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.501 4.218 0.292 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -6.334 6.616 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.842 5.168 0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -5.295 5.484 2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -4.274 6.539 1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -7.106 7.396 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -5.926 7.512 3.455 1.00 0.00 H new ATOM 0 HE ARG A 272 -6.160 9.271 1.193 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -3.777 7.677 3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -2.555 8.928 3.003 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -4.583 10.874 0.877 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -3.009 10.730 1.665 1.00 0.00 H new ATOM 800 N CYS A 273 -6.220 4.800 -2.453 1.00 0.00 N ATOM 801 CA CYS A 273 -7.005 4.166 -3.505 1.00 0.00 C ATOM 802 C CYS A 273 -6.327 2.890 -3.995 1.00 0.00 C ATOM 803 O CYS A 273 -6.972 2.016 -4.574 1.00 0.00 O ATOM 804 CB CYS A 273 -7.204 5.132 -4.674 1.00 0.00 C ATOM 805 SG CYS A 273 -8.306 6.534 -4.301 1.00 0.00 S ATOM 0 H CYS A 273 -5.979 5.774 -2.636 1.00 0.00 H new ATOM 0 HA CYS A 273 -7.978 3.903 -3.090 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.232 5.519 -4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.610 4.580 -5.522 1.00 0.00 H new ATOM 810 N GLN A 274 -5.023 2.790 -3.758 1.00 0.00 N ATOM 811 CA GLN A 274 -4.258 1.621 -4.175 1.00 0.00 C ATOM 812 C GLN A 274 -4.726 0.372 -3.436 1.00 0.00 C ATOM 813 O GLN A 274 -4.961 -0.673 -4.045 1.00 0.00 O ATOM 814 CB GLN A 274 -2.766 1.846 -3.926 1.00 0.00 C ATOM 815 CG GLN A 274 -2.315 1.449 -2.530 1.00 0.00 C ATOM 816 CD GLN A 274 -0.835 1.686 -2.305 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.008 1.154 -3.197 1.00 0.00 O flip ATOM 818 NE2 GLN A 274 -0.439 2.340 -1.340 1.00 0.00 N flip ATOM 0 H GLN A 274 -4.474 3.504 -3.279 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.423 1.473 -5.242 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.194 1.277 -4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.534 2.899 -4.088 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -2.886 2.015 -1.793 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.539 0.395 -2.366 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -1.110 2.731 -0.679 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.560 2.491 -1.202 1.00 0.00 H new ATOM 827 N THR A 275 -4.861 0.485 -2.118 1.00 0.00 N ATOM 828 CA THR A 275 -5.299 -0.635 -1.295 1.00 0.00 C ATOM 829 C THR A 275 -6.770 -0.953 -1.539 1.00 0.00 C ATOM 830 O THR A 275 -7.322 -1.880 -0.945 1.00 0.00 O ATOM 831 CB THR A 275 -5.090 -0.347 0.203 1.00 0.00 C ATOM 832 OG1 THR A 275 -5.443 -1.498 0.978 1.00 0.00 O ATOM 833 CG2 THR A 275 -5.924 0.845 0.647 1.00 0.00 C ATOM 0 H THR A 275 -4.673 1.342 -1.598 1.00 0.00 H new ATOM 0 HA THR A 275 -4.691 -1.494 -1.580 1.00 0.00 H new ATOM 0 HB THR A 275 -4.037 -0.113 0.361 1.00 0.00 H new ATOM 0 HG1 THR A 275 -6.112 -2.026 0.494 1.00 0.00 H new ATOM 0 HG21 THR A 275 -5.760 1.029 1.709 1.00 0.00 H new ATOM 0 HG22 THR A 275 -5.631 1.726 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 275 -6.980 0.635 0.474 1.00 0.00 H new ATOM 841 N LYS A 276 -7.400 -0.181 -2.417 1.00 0.00 N ATOM 842 CA LYS A 276 -8.808 -0.381 -2.742 1.00 0.00 C ATOM 843 C LYS A 276 -8.960 -1.111 -4.073 1.00 0.00 C ATOM 844 O LYS A 276 -9.953 -1.800 -4.304 1.00 0.00 O ATOM 845 CB LYS A 276 -9.536 0.964 -2.799 1.00 0.00 C ATOM 846 CG LYS A 276 -9.297 1.837 -1.580 1.00 0.00 C ATOM 847 CD LYS A 276 -10.429 2.829 -1.374 1.00 0.00 C ATOM 848 CE LYS A 276 -10.194 3.697 -0.147 1.00 0.00 C ATOM 849 NZ LYS A 276 -11.384 4.531 0.179 1.00 0.00 N ATOM 0 H LYS A 276 -6.958 0.590 -2.917 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.253 -0.994 -1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.216 1.504 -3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.606 0.784 -2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -9.197 1.208 -0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -8.357 2.376 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.524 3.462 -2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -11.371 2.291 -1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -9.951 3.063 0.705 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -9.334 4.344 -0.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -11.184 5.108 1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -11.601 5.155 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -12.199 3.914 0.368 1.00 0.00 H new ATOM 863 N VAL A 277 -7.969 -0.956 -4.944 1.00 0.00 N ATOM 864 CA VAL A 277 -7.992 -1.602 -6.251 1.00 0.00 C ATOM 865 C VAL A 277 -7.834 -3.113 -6.120 1.00 0.00 C ATOM 866 O VAL A 277 -7.174 -3.601 -5.203 1.00 0.00 O ATOM 867 CB VAL A 277 -6.878 -1.059 -7.166 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.168 -1.398 -8.620 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.723 0.443 -6.981 1.00 0.00 C ATOM 0 H VAL A 277 -7.140 -0.389 -4.769 1.00 0.00 H new ATOM 0 HA VAL A 277 -8.961 -1.377 -6.697 1.00 0.00 H new ATOM 0 HB VAL A 277 -5.938 -1.536 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.370 -1.006 -9.251 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.225 -2.480 -8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -8.117 -0.951 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.932 0.810 -7.635 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.661 0.939 -7.232 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.465 0.657 -5.944 1.00 0.00 H new ATOM 879 N ALA A 278 -8.445 -3.849 -7.043 1.00 0.00 N ATOM 880 CA ALA A 278 -8.371 -5.304 -7.032 1.00 0.00 C ATOM 881 C ALA A 278 -6.967 -5.785 -7.383 1.00 0.00 C ATOM 882 O ALA A 278 -6.220 -5.097 -8.077 1.00 0.00 O ATOM 883 CB ALA A 278 -9.388 -5.892 -7.998 1.00 0.00 C ATOM 0 H ALA A 278 -8.997 -3.461 -7.808 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.603 -5.647 -6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.321 -6.980 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.391 -5.585 -7.702 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -9.182 -5.533 -9.006 1.00 0.00 H new ATOM 889 N ASN A 279 -6.613 -6.970 -6.896 1.00 0.00 N ATOM 890 CA ASN A 279 -5.297 -7.542 -7.158 1.00 0.00 C ATOM 891 C ASN A 279 -5.255 -8.203 -8.532 1.00 0.00 C ATOM 892 O ASN A 279 -4.887 -9.372 -8.660 1.00 0.00 O ATOM 893 CB ASN A 279 -4.939 -8.564 -6.077 1.00 0.00 C ATOM 894 CG ASN A 279 -6.155 -9.300 -5.550 1.00 0.00 C ATOM 895 OD1 ASN A 279 -7.145 -9.500 -6.413 1.00 0.00 O flip ATOM 896 ND2 ASN A 279 -6.204 -9.685 -4.382 1.00 0.00 N flip ATOM 0 H ASN A 279 -7.219 -7.553 -6.318 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.566 -6.733 -7.141 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -4.230 -9.285 -6.483 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -4.440 -8.056 -5.252 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -5.420 -9.509 -3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -7.029 -10.180 -4.042 1.00 0.00 H new ATOM 903 N LEU A 280 -5.632 -7.448 -9.557 1.00 0.00 N ATOM 904 CA LEU A 280 -5.637 -7.959 -10.924 1.00 0.00 C ATOM 905 C LEU A 280 -4.744 -7.112 -11.825 1.00 0.00 C ATOM 906 O LEU A 280 -5.231 -6.344 -12.655 1.00 0.00 O ATOM 907 CB LEU A 280 -7.063 -7.982 -11.476 1.00 0.00 C ATOM 908 CG LEU A 280 -8.079 -8.800 -10.678 1.00 0.00 C ATOM 909 CD1 LEU A 280 -9.485 -8.575 -11.214 1.00 0.00 C ATOM 910 CD2 LEU A 280 -7.722 -10.279 -10.718 1.00 0.00 C ATOM 0 H LEU A 280 -5.939 -6.479 -9.468 1.00 0.00 H new ATOM 0 HA LEU A 280 -5.245 -8.976 -10.907 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.423 -6.955 -11.540 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -7.031 -8.372 -12.493 1.00 0.00 H new ATOM 0 HG LEU A 280 -8.050 -8.467 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -10.194 -9.165 -10.634 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -9.740 -7.518 -11.133 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -9.529 -8.880 -12.260 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -8.456 -10.846 -10.145 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -7.722 -10.626 -11.751 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -6.732 -10.426 -10.286 1.00 0.00 H new ATOM 922 N CYS A 281 -3.434 -7.260 -11.658 1.00 0.00 N ATOM 923 CA CYS A 281 -2.472 -6.511 -12.457 1.00 0.00 C ATOM 924 C CYS A 281 -2.232 -7.194 -13.800 1.00 0.00 C ATOM 925 O CYS A 281 -1.660 -8.281 -13.863 1.00 0.00 O ATOM 926 CB CYS A 281 -1.149 -6.370 -11.700 1.00 0.00 C ATOM 927 SG CYS A 281 0.019 -5.196 -12.458 1.00 0.00 S ATOM 0 H CYS A 281 -3.014 -7.892 -10.976 1.00 0.00 H new ATOM 0 HA CYS A 281 -2.885 -5.519 -12.642 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.359 -6.050 -10.680 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.673 -7.349 -11.635 1.00 0.00 H new ATOM 932 N GLY A 282 -2.673 -6.546 -14.874 1.00 0.00 N ATOM 933 CA GLY A 282 -2.498 -7.105 -16.202 1.00 0.00 C ATOM 934 C GLY A 282 -3.098 -8.491 -16.332 1.00 0.00 C ATOM 935 O GLY A 282 -2.690 -9.272 -17.192 1.00 0.00 O ATOM 0 H GLY A 282 -3.148 -5.644 -14.848 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -2.959 -6.443 -16.935 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -1.435 -7.149 -16.437 1.00 0.00 H new ATOM 939 N ILE A 283 -4.066 -8.797 -15.476 1.00 0.00 N ATOM 940 CA ILE A 283 -4.722 -10.098 -15.499 1.00 0.00 C ATOM 941 C ILE A 283 -5.605 -10.247 -16.733 1.00 0.00 C ATOM 942 O ILE A 283 -5.880 -11.359 -17.182 1.00 0.00 O ATOM 943 CB ILE A 283 -5.580 -10.319 -14.238 1.00 0.00 C ATOM 944 CG1 ILE A 283 -4.685 -10.476 -13.007 1.00 0.00 C ATOM 945 CG2 ILE A 283 -6.471 -11.539 -14.411 1.00 0.00 C ATOM 946 CD1 ILE A 283 -3.616 -11.534 -13.169 1.00 0.00 C ATOM 0 H ILE A 283 -4.414 -8.162 -14.758 1.00 0.00 H new ATOM 0 HA ILE A 283 -3.932 -10.849 -15.527 1.00 0.00 H new ATOM 0 HB ILE A 283 -6.217 -9.446 -14.092 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -4.209 -9.520 -12.790 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -5.305 -10.726 -12.146 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -7.071 -11.682 -13.512 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -7.129 -11.390 -15.267 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -5.852 -12.421 -14.578 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -3.019 -11.591 -12.259 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -4.085 -12.500 -13.356 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -2.972 -11.275 -14.009 1.00 0.00 H new ATOM 958 N ASN A 284 -6.045 -9.118 -17.279 1.00 0.00 N ATOM 959 CA ASN A 284 -6.896 -9.122 -18.463 1.00 0.00 C ATOM 960 C ASN A 284 -6.282 -9.973 -19.571 1.00 0.00 C ATOM 961 O ASN A 284 -5.881 -9.457 -20.614 1.00 0.00 O ATOM 962 CB ASN A 284 -7.116 -7.693 -18.964 1.00 0.00 C ATOM 963 CG ASN A 284 -8.038 -6.899 -18.060 1.00 0.00 C ATOM 964 OD1 ASN A 284 -9.135 -7.347 -17.724 1.00 0.00 O ATOM 965 ND2 ASN A 284 -7.596 -5.712 -17.660 1.00 0.00 N ATOM 0 H ASN A 284 -5.826 -8.189 -16.920 1.00 0.00 H new ATOM 0 HA ASN A 284 -7.858 -9.555 -18.187 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -6.155 -7.184 -19.035 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -7.536 -7.724 -19.969 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -8.172 -5.132 -17.050 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -6.680 -5.380 -17.963 1.00 0.00 H new TER 972 ASN A 284 HETATM 973 ZN ZN A 300 -0.679 -3.103 -11.881 1.00 0.00 ZN HETATM 974 ZN ZN A 400 -7.942 8.047 -5.930 1.00 0.00 ZN