USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 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 Set 1.1: A 237 TYR OH : rot 66:sc= 0.396 USER MOD Set 1.2: A 268 ASN : amide:sc= -2.91! C(o=-2.5!,f=-1.3!) USER MOD Single : A 221 SER OG : rot 180:sc= -0.153 USER MOD Single : A 222 SER OG : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 15:sc= 0.206 USER MOD Single : A 225 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 166:sc=-0.00346 (180deg=-0.149) USER MOD Single : A 230 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 238 ASN : amide:sc= -1.45 K(o=-1.5,f=-0.12) USER MOD Single : A 239 TYR OH : rot 30:sc= -0.0768 USER MOD Single : A 240 LYS NZ :NH3+ -155:sc= -0.138 (180deg=-0.673) USER MOD Single : A 241 SER OG : rot 5:sc= 0.932 USER MOD Single : A 243 THR OG1 : rot 180:sc= 0 USER MOD Single : A 247 HIS : no HE2:sc= -7.75! C(o=-7.8!,f=-13!) USER MOD Single : A 250 THR OG1 : rot -42:sc= 1.08 USER MOD Single : A 258 GLN : amide:sc= -2.66! C(o=-2.7!,f=-4.9!) USER MOD Single : A 261 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.471) USER MOD Single : A 267 MET CE :methyl 170:sc= -0.482 (180deg=-1.11) USER MOD Single : A 271 HIS : no HD1:sc= -0.28 K(o=-0.28,f=-2.1) USER MOD Single : A 274 GLN : amide:sc= 0.376 K(o=0.38,f=-0.69) USER MOD Single : A 275 THR OG1 : rot 17:sc= 0.82 USER MOD Single : A 276 LYS NZ :NH3+ 160:sc= -0.205 (180deg=-0.85) USER MOD Single : A 279 ASN : amide:sc= -0.398 K(o=-0.4,f=-4.1!) USER MOD Single : A 284 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 -9.402 -38.179 8.036 1.00 0.00 N ATOM 2 CA GLY A 220 -8.321 -37.682 7.206 1.00 0.00 C ATOM 3 C GLY A 220 -8.772 -37.374 5.792 1.00 0.00 C ATOM 4 O GLY A 220 -9.275 -38.249 5.088 1.00 0.00 O ATOM 0 HA2 GLY A 220 -7.906 -36.780 7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 220 -7.520 -38.421 7.176 1.00 0.00 H new ATOM 8 N SER A 221 -8.592 -36.124 5.374 1.00 0.00 N ATOM 9 CA SER A 221 -8.989 -35.701 4.037 1.00 0.00 C ATOM 10 C SER A 221 -8.064 -34.604 3.517 1.00 0.00 C ATOM 11 O SER A 221 -7.352 -33.961 4.288 1.00 0.00 O ATOM 12 CB SER A 221 -10.436 -35.202 4.045 1.00 0.00 C ATOM 13 OG SER A 221 -10.806 -34.690 2.777 1.00 0.00 O ATOM 0 H SER A 221 -8.174 -35.388 5.943 1.00 0.00 H new ATOM 0 HA SER A 221 -8.913 -36.562 3.373 1.00 0.00 H new ATOM 0 HB2 SER A 221 -11.104 -36.018 4.320 1.00 0.00 H new ATOM 0 HB3 SER A 221 -10.552 -34.426 4.802 1.00 0.00 H new ATOM 0 HG SER A 221 -11.735 -34.379 2.808 1.00 0.00 H new ATOM 19 N SER A 222 -8.081 -34.398 2.205 1.00 0.00 N ATOM 20 CA SER A 222 -7.241 -33.382 1.580 1.00 0.00 C ATOM 21 C SER A 222 -7.698 -31.981 1.975 1.00 0.00 C ATOM 22 O SER A 222 -8.850 -31.608 1.761 1.00 0.00 O ATOM 23 CB SER A 222 -7.272 -33.530 0.058 1.00 0.00 C ATOM 24 OG SER A 222 -6.524 -32.503 -0.570 1.00 0.00 O ATOM 0 H SER A 222 -8.667 -34.920 1.554 1.00 0.00 H new ATOM 0 HA SER A 222 -6.219 -33.525 1.931 1.00 0.00 H new ATOM 0 HB2 SER A 222 -6.869 -34.502 -0.224 1.00 0.00 H new ATOM 0 HB3 SER A 222 -8.304 -33.499 -0.293 1.00 0.00 H new ATOM 0 HG SER A 222 -6.558 -32.621 -1.542 1.00 0.00 H new ATOM 30 N GLY A 223 -6.784 -31.209 2.555 1.00 0.00 N ATOM 31 CA GLY A 223 -7.110 -29.858 2.972 1.00 0.00 C ATOM 32 C GLY A 223 -6.133 -28.832 2.432 1.00 0.00 C ATOM 33 O GLY A 223 -5.138 -28.510 3.082 1.00 0.00 O ATOM 0 H GLY A 223 -5.823 -31.495 2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -8.116 -29.610 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -7.118 -29.809 4.061 1.00 0.00 H new ATOM 37 N SER A 224 -6.416 -28.318 1.239 1.00 0.00 N ATOM 38 CA SER A 224 -5.551 -27.327 0.609 1.00 0.00 C ATOM 39 C SER A 224 -6.361 -26.380 -0.271 1.00 0.00 C ATOM 40 O SER A 224 -7.175 -26.816 -1.085 1.00 0.00 O ATOM 41 CB SER A 224 -4.470 -28.018 -0.224 1.00 0.00 C ATOM 42 OG SER A 224 -3.387 -28.435 0.589 1.00 0.00 O ATOM 0 H SER A 224 -7.237 -28.571 0.690 1.00 0.00 H new ATOM 0 HA SER A 224 -5.074 -26.744 1.397 1.00 0.00 H new ATOM 0 HB2 SER A 224 -4.897 -28.880 -0.736 1.00 0.00 H new ATOM 0 HB3 SER A 224 -4.109 -27.336 -0.994 1.00 0.00 H new ATOM 0 HG SER A 224 -3.654 -28.404 1.531 1.00 0.00 H new ATOM 48 N SER A 225 -6.131 -25.082 -0.102 1.00 0.00 N ATOM 49 CA SER A 225 -6.842 -24.072 -0.877 1.00 0.00 C ATOM 50 C SER A 225 -6.050 -22.769 -0.927 1.00 0.00 C ATOM 51 O SER A 225 -5.328 -22.432 0.010 1.00 0.00 O ATOM 52 CB SER A 225 -8.226 -23.818 -0.277 1.00 0.00 C ATOM 53 OG SER A 225 -8.996 -22.971 -1.112 1.00 0.00 O ATOM 0 H SER A 225 -5.458 -24.705 0.565 1.00 0.00 H new ATOM 0 HA SER A 225 -6.958 -24.446 -1.894 1.00 0.00 H new ATOM 0 HB2 SER A 225 -8.745 -24.766 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 225 -8.121 -23.364 0.709 1.00 0.00 H new ATOM 0 HG SER A 225 -9.877 -22.825 -0.707 1.00 0.00 H new ATOM 59 N GLY A 226 -6.191 -22.040 -2.030 1.00 0.00 N ATOM 60 CA GLY A 226 -5.483 -20.782 -2.184 1.00 0.00 C ATOM 61 C GLY A 226 -5.135 -20.485 -3.629 1.00 0.00 C ATOM 62 O GLY A 226 -4.439 -21.265 -4.281 1.00 0.00 O ATOM 0 H GLY A 226 -6.783 -22.298 -2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 226 -6.096 -19.973 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 226 -4.569 -20.809 -1.591 1.00 0.00 H new ATOM 66 N LYS A 227 -5.621 -19.356 -4.132 1.00 0.00 N ATOM 67 CA LYS A 227 -5.358 -18.957 -5.510 1.00 0.00 C ATOM 68 C LYS A 227 -4.296 -17.863 -5.566 1.00 0.00 C ATOM 69 O LYS A 227 -4.241 -16.993 -4.697 1.00 0.00 O ATOM 70 CB LYS A 227 -6.646 -18.466 -6.175 1.00 0.00 C ATOM 71 CG LYS A 227 -7.539 -19.589 -6.674 1.00 0.00 C ATOM 72 CD LYS A 227 -8.392 -20.162 -5.555 1.00 0.00 C ATOM 73 CE LYS A 227 -9.110 -21.429 -5.994 1.00 0.00 C ATOM 74 NZ LYS A 227 -8.168 -22.569 -6.166 1.00 0.00 N ATOM 0 H LYS A 227 -6.199 -18.701 -3.606 1.00 0.00 H new ATOM 0 HA LYS A 227 -4.987 -19.828 -6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 227 -7.204 -17.859 -5.463 1.00 0.00 H new ATOM 0 HB3 LYS A 227 -6.388 -17.818 -7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 227 -8.184 -19.216 -7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 227 -6.925 -20.379 -7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 227 -7.763 -20.380 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 227 -9.124 -19.419 -5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 227 -9.867 -21.692 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 227 -9.632 -21.244 -6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -8.706 -23.457 -6.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -7.616 -22.434 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -7.524 -22.613 -5.351 1.00 0.00 H new ATOM 88 N ILE A 228 -3.456 -17.914 -6.595 1.00 0.00 N ATOM 89 CA ILE A 228 -2.398 -16.926 -6.765 1.00 0.00 C ATOM 90 C ILE A 228 -2.779 -15.886 -7.814 1.00 0.00 C ATOM 91 O ILE A 228 -3.214 -16.230 -8.913 1.00 0.00 O ATOM 92 CB ILE A 228 -1.069 -17.588 -7.175 1.00 0.00 C ATOM 93 CG1 ILE A 228 -0.893 -18.922 -6.446 1.00 0.00 C ATOM 94 CG2 ILE A 228 0.099 -16.660 -6.880 1.00 0.00 C ATOM 95 CD1 ILE A 228 -1.609 -20.075 -7.115 1.00 0.00 C ATOM 0 H ILE A 228 -3.488 -18.628 -7.322 1.00 0.00 H new ATOM 0 HA ILE A 228 -2.268 -16.435 -5.800 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.092 -17.781 -8.248 1.00 0.00 H new ATOM 0 HG12 ILE A 228 0.170 -19.154 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -1.260 -18.820 -5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 228 1.031 -17.143 -7.175 1.00 0.00 H new ATOM 0 HG22 ILE A 228 -0.023 -15.733 -7.440 1.00 0.00 H new ATOM 0 HG23 ILE A 228 0.127 -16.439 -5.813 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -1.441 -20.988 -6.544 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -2.678 -19.865 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -1.225 -20.204 -8.127 1.00 0.00 H new ATOM 107 N ASP A 229 -2.612 -14.615 -7.467 1.00 0.00 N ATOM 108 CA ASP A 229 -2.937 -13.525 -8.379 1.00 0.00 C ATOM 109 C ASP A 229 -1.749 -12.581 -8.541 1.00 0.00 C ATOM 110 O ASP A 229 -0.688 -12.796 -7.955 1.00 0.00 O ATOM 111 CB ASP A 229 -4.154 -12.750 -7.870 1.00 0.00 C ATOM 112 CG ASP A 229 -5.367 -13.639 -7.681 1.00 0.00 C ATOM 113 OD1 ASP A 229 -5.512 -14.616 -8.446 1.00 0.00 O ATOM 114 OD2 ASP A 229 -6.173 -13.358 -6.769 1.00 0.00 O ATOM 0 H ASP A 229 -2.253 -14.314 -6.561 1.00 0.00 H new ATOM 0 HA ASP A 229 -3.172 -13.956 -9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -3.906 -12.271 -6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -4.396 -11.955 -8.575 1.00 0.00 H new ATOM 119 N MET A 230 -1.936 -11.535 -9.340 1.00 0.00 N ATOM 120 CA MET A 230 -0.880 -10.559 -9.579 1.00 0.00 C ATOM 121 C MET A 230 -1.343 -9.154 -9.206 1.00 0.00 C ATOM 122 O MET A 230 -2.005 -8.466 -9.983 1.00 0.00 O ATOM 123 CB MET A 230 -0.447 -10.592 -11.046 1.00 0.00 C ATOM 124 CG MET A 230 0.062 -11.951 -11.499 1.00 0.00 C ATOM 125 SD MET A 230 -1.274 -13.096 -11.895 1.00 0.00 S ATOM 126 CE MET A 230 -0.560 -14.648 -11.359 1.00 0.00 C ATOM 0 H MET A 230 -2.808 -11.342 -9.832 1.00 0.00 H new ATOM 0 HA MET A 230 -0.029 -10.821 -8.950 1.00 0.00 H new ATOM 0 HB2 MET A 230 -1.291 -10.302 -11.672 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.336 -9.850 -11.202 1.00 0.00 H new ATOM 0 HG2 MET A 230 0.697 -11.823 -12.375 1.00 0.00 H new ATOM 0 HG3 MET A 230 0.684 -12.382 -10.714 1.00 0.00 H new ATOM 0 HE1 MET A 230 -1.269 -15.456 -11.539 1.00 0.00 H new ATOM 0 HE2 MET A 230 0.357 -14.839 -11.917 1.00 0.00 H new ATOM 0 HE3 MET A 230 -0.333 -14.595 -10.294 1.00 0.00 H new ATOM 136 N PRO A 231 -0.990 -8.717 -7.988 1.00 0.00 N ATOM 137 CA PRO A 231 -1.359 -7.391 -7.485 1.00 0.00 C ATOM 138 C PRO A 231 -0.622 -6.270 -8.209 1.00 0.00 C ATOM 139 O PRO A 231 0.316 -6.519 -8.967 1.00 0.00 O ATOM 140 CB PRO A 231 -0.943 -7.442 -6.012 1.00 0.00 C ATOM 141 CG PRO A 231 0.141 -8.462 -5.960 1.00 0.00 C ATOM 142 CD PRO A 231 -0.202 -9.484 -7.009 1.00 0.00 C ATOM 0 HA PRO A 231 -2.417 -7.178 -7.636 1.00 0.00 H new ATOM 0 HB2 PRO A 231 -0.589 -6.471 -5.667 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.781 -7.722 -5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.113 -8.010 -6.159 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.199 -8.920 -4.973 1.00 0.00 H new ATOM 0 HD2 PRO A 231 0.693 -9.912 -7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.776 -10.312 -6.591 1.00 0.00 H new ATOM 150 N HIS A 232 -1.051 -5.035 -7.970 1.00 0.00 N ATOM 151 CA HIS A 232 -0.429 -3.874 -8.599 1.00 0.00 C ATOM 152 C HIS A 232 0.778 -3.402 -7.795 1.00 0.00 C ATOM 153 O HIS A 232 0.649 -3.010 -6.635 1.00 0.00 O ATOM 154 CB HIS A 232 -1.443 -2.738 -8.734 1.00 0.00 C ATOM 155 CG HIS A 232 -2.631 -3.091 -9.573 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.560 -3.283 -10.937 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.927 -3.290 -9.234 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.760 -3.583 -11.401 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.607 -3.594 -10.388 1.00 0.00 N ATOM 0 H HIS A 232 -1.826 -4.812 -7.346 1.00 0.00 H new ATOM 0 HA HIS A 232 -0.089 -4.168 -9.592 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.784 -2.447 -7.741 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.947 -1.870 -9.168 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -4.347 -3.222 -8.241 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -4.006 -3.785 -12.433 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.605 -3.796 -10.452 1.00 0.00 H new ATOM 167 N ARG A 233 1.951 -3.444 -8.418 1.00 0.00 N ATOM 168 CA ARG A 233 3.182 -3.022 -7.760 1.00 0.00 C ATOM 169 C ARG A 233 3.301 -1.501 -7.752 1.00 0.00 C ATOM 170 O ARG A 233 4.256 -0.939 -8.288 1.00 0.00 O ATOM 171 CB ARG A 233 4.396 -3.635 -8.460 1.00 0.00 C ATOM 172 CG ARG A 233 4.590 -5.112 -8.160 1.00 0.00 C ATOM 173 CD ARG A 233 5.735 -5.700 -8.971 1.00 0.00 C ATOM 174 NE ARG A 233 5.954 -7.111 -8.666 1.00 0.00 N ATOM 175 CZ ARG A 233 6.566 -7.539 -7.567 1.00 0.00 C ATOM 176 NH1 ARG A 233 7.016 -6.669 -6.674 1.00 0.00 N ATOM 177 NH2 ARG A 233 6.728 -8.840 -7.361 1.00 0.00 N ATOM 0 H ARG A 233 2.075 -3.766 -9.378 1.00 0.00 H new ATOM 0 HA ARG A 233 3.151 -3.372 -6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.289 -3.503 -9.537 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.291 -3.091 -8.159 1.00 0.00 H new ATOM 0 HG2 ARG A 233 4.790 -5.245 -7.097 1.00 0.00 H new ATOM 0 HG3 ARG A 233 3.670 -5.653 -8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 233 5.521 -5.588 -10.034 1.00 0.00 H new ATOM 0 HD3 ARG A 233 6.648 -5.140 -8.769 1.00 0.00 H new ATOM 0 HE ARG A 233 5.619 -7.806 -9.333 1.00 0.00 H new ATOM 0 HH11 ARG A 233 6.893 -5.669 -6.830 1.00 0.00 H new ATOM 0 HH12 ARG A 233 7.485 -7.000 -5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 233 6.383 -9.512 -8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 233 7.198 -9.168 -6.517 1.00 0.00 H new ATOM 191 N PHE A 234 2.323 -0.839 -7.141 1.00 0.00 N ATOM 192 CA PHE A 234 2.317 0.617 -7.064 1.00 0.00 C ATOM 193 C PHE A 234 3.602 1.133 -6.423 1.00 0.00 C ATOM 194 O PHE A 234 3.972 0.718 -5.324 1.00 0.00 O ATOM 195 CB PHE A 234 1.105 1.101 -6.266 1.00 0.00 C ATOM 196 CG PHE A 234 -0.207 0.839 -6.949 1.00 0.00 C ATOM 197 CD1 PHE A 234 -0.444 1.314 -8.229 1.00 0.00 C ATOM 198 CD2 PHE A 234 -1.203 0.117 -6.311 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.649 1.073 -8.860 1.00 0.00 C ATOM 200 CE2 PHE A 234 -2.410 -0.127 -6.938 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.634 0.353 -8.213 1.00 0.00 C ATOM 0 H PHE A 234 1.525 -1.288 -6.692 1.00 0.00 H new ATOM 0 HA PHE A 234 2.255 1.010 -8.079 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.102 0.611 -5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.204 2.171 -6.085 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.322 1.879 -8.739 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -1.034 -0.259 -5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.821 1.447 -9.858 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -3.178 -0.693 -6.431 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.578 0.166 -8.703 1.00 0.00 H new ATOM 211 N LYS A 235 4.279 2.041 -7.117 1.00 0.00 N ATOM 212 CA LYS A 235 5.522 2.616 -6.618 1.00 0.00 C ATOM 213 C LYS A 235 5.503 4.137 -6.733 1.00 0.00 C ATOM 214 O LYS A 235 5.130 4.687 -7.770 1.00 0.00 O ATOM 215 CB LYS A 235 6.716 2.051 -7.390 1.00 0.00 C ATOM 216 CG LYS A 235 7.095 0.639 -6.977 1.00 0.00 C ATOM 217 CD LYS A 235 7.558 0.587 -5.531 1.00 0.00 C ATOM 218 CE LYS A 235 8.291 -0.710 -5.227 1.00 0.00 C ATOM 219 NZ LYS A 235 9.125 -0.602 -3.997 1.00 0.00 N ATOM 0 H LYS A 235 3.987 2.395 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 235 5.619 2.350 -5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.486 2.059 -8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.575 2.706 -7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 235 6.239 -0.022 -7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 235 7.888 0.269 -7.627 1.00 0.00 H new ATOM 0 HD2 LYS A 235 8.214 1.433 -5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 235 6.698 0.684 -4.869 1.00 0.00 H new ATOM 0 HE2 LYS A 235 7.567 -1.516 -5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 235 8.925 -0.976 -6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 9.608 -1.507 -3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 9.833 0.150 -4.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 8.517 -0.374 -3.184 1.00 0.00 H new ATOM 233 N VAL A 236 5.909 4.813 -5.663 1.00 0.00 N ATOM 234 CA VAL A 236 5.941 6.270 -5.645 1.00 0.00 C ATOM 235 C VAL A 236 6.693 6.818 -6.852 1.00 0.00 C ATOM 236 O VAL A 236 7.768 6.329 -7.201 1.00 0.00 O ATOM 237 CB VAL A 236 6.600 6.802 -4.358 1.00 0.00 C ATOM 238 CG1 VAL A 236 7.282 8.136 -4.620 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.570 6.929 -3.246 1.00 0.00 C ATOM 0 H VAL A 236 6.221 4.374 -4.797 1.00 0.00 H new ATOM 0 HA VAL A 236 4.906 6.609 -5.681 1.00 0.00 H new ATOM 0 HB VAL A 236 7.360 6.090 -4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.742 8.496 -3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 236 8.049 8.009 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 236 6.544 8.860 -4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 236 6.053 7.306 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.786 7.620 -3.554 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.133 5.952 -3.042 1.00 0.00 H new ATOM 249 N TYR A 237 6.122 7.836 -7.486 1.00 0.00 N ATOM 250 CA TYR A 237 6.738 8.450 -8.656 1.00 0.00 C ATOM 251 C TYR A 237 6.488 9.955 -8.677 1.00 0.00 C ATOM 252 O TYR A 237 5.538 10.447 -8.069 1.00 0.00 O ATOM 253 CB TYR A 237 6.194 7.815 -9.937 1.00 0.00 C ATOM 254 CG TYR A 237 4.901 8.433 -10.418 1.00 0.00 C ATOM 255 CD1 TYR A 237 3.759 8.406 -9.628 1.00 0.00 C ATOM 256 CD2 TYR A 237 4.822 9.045 -11.663 1.00 0.00 C ATOM 257 CE1 TYR A 237 2.575 8.969 -10.064 1.00 0.00 C ATOM 258 CE2 TYR A 237 3.643 9.612 -12.107 1.00 0.00 C ATOM 259 CZ TYR A 237 2.522 9.571 -11.304 1.00 0.00 C ATOM 260 OH TYR A 237 1.345 10.134 -11.741 1.00 0.00 O ATOM 0 H TYR A 237 5.233 8.253 -7.209 1.00 0.00 H new ATOM 0 HA TYR A 237 7.813 8.279 -8.601 1.00 0.00 H new ATOM 0 HB2 TYR A 237 6.944 7.904 -10.723 1.00 0.00 H new ATOM 0 HB3 TYR A 237 6.036 6.750 -9.766 1.00 0.00 H new ATOM 0 HD1 TYR A 237 3.797 7.937 -8.656 1.00 0.00 H new ATOM 0 HD2 TYR A 237 5.697 9.078 -12.295 1.00 0.00 H new ATOM 0 HE1 TYR A 237 1.696 8.938 -9.437 1.00 0.00 H new ATOM 0 HE2 TYR A 237 3.599 10.085 -13.077 1.00 0.00 H new ATOM 0 HH TYR A 237 1.117 10.899 -11.172 1.00 0.00 H new ATOM 270 N ASN A 238 7.349 10.682 -9.382 1.00 0.00 N ATOM 271 CA ASN A 238 7.224 12.131 -9.483 1.00 0.00 C ATOM 272 C ASN A 238 6.263 12.518 -10.603 1.00 0.00 C ATOM 273 O ASN A 238 6.573 12.356 -11.784 1.00 0.00 O ATOM 274 CB ASN A 238 8.594 12.767 -9.729 1.00 0.00 C ATOM 275 CG ASN A 238 8.618 14.242 -9.379 1.00 0.00 C ATOM 276 OD1 ASN A 238 9.360 14.670 -8.495 1.00 0.00 O ATOM 277 ND2 ASN A 238 7.803 15.028 -10.073 1.00 0.00 N ATOM 0 H ASN A 238 8.141 10.291 -9.892 1.00 0.00 H new ATOM 0 HA ASN A 238 6.823 12.502 -8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 238 9.346 12.244 -9.138 1.00 0.00 H new ATOM 0 HB3 ASN A 238 8.867 12.640 -10.777 1.00 0.00 H new ATOM 0 HD21 ASN A 238 7.775 16.030 -9.882 1.00 0.00 H new ATOM 0 HD22 ASN A 238 7.205 14.630 -10.797 1.00 0.00 H new ATOM 284 N TYR A 239 5.097 13.028 -10.225 1.00 0.00 N ATOM 285 CA TYR A 239 4.089 13.436 -11.197 1.00 0.00 C ATOM 286 C TYR A 239 4.703 14.319 -12.279 1.00 0.00 C ATOM 287 O TYR A 239 5.413 15.281 -11.985 1.00 0.00 O ATOM 288 CB TYR A 239 2.950 14.182 -10.500 1.00 0.00 C ATOM 289 CG TYR A 239 1.881 13.269 -9.943 1.00 0.00 C ATOM 290 CD1 TYR A 239 0.914 12.713 -10.771 1.00 0.00 C ATOM 291 CD2 TYR A 239 1.838 12.963 -8.588 1.00 0.00 C ATOM 292 CE1 TYR A 239 -0.065 11.880 -10.266 1.00 0.00 C ATOM 293 CE2 TYR A 239 0.864 12.129 -8.075 1.00 0.00 C ATOM 294 CZ TYR A 239 -0.086 11.591 -8.917 1.00 0.00 C ATOM 295 OH TYR A 239 -1.059 10.760 -8.411 1.00 0.00 O ATOM 0 H TYR A 239 4.826 13.169 -9.252 1.00 0.00 H new ATOM 0 HA TYR A 239 3.691 12.538 -11.668 1.00 0.00 H new ATOM 0 HB2 TYR A 239 3.362 14.782 -9.689 1.00 0.00 H new ATOM 0 HB3 TYR A 239 2.493 14.874 -11.208 1.00 0.00 H new ATOM 0 HD1 TYR A 239 0.928 12.936 -11.828 1.00 0.00 H new ATOM 0 HD2 TYR A 239 2.579 13.385 -7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 239 -0.810 11.457 -10.923 1.00 0.00 H new ATOM 0 HE2 TYR A 239 0.847 11.899 -7.020 1.00 0.00 H new ATOM 0 HH TYR A 239 -1.328 10.115 -9.098 1.00 0.00 H new ATOM 305 N LYS A 240 4.423 13.986 -13.534 1.00 0.00 N ATOM 306 CA LYS A 240 4.943 14.747 -14.663 1.00 0.00 C ATOM 307 C LYS A 240 3.846 15.023 -15.686 1.00 0.00 C ATOM 308 O LYS A 240 4.122 15.464 -16.802 1.00 0.00 O ATOM 309 CB LYS A 240 6.096 13.991 -15.327 1.00 0.00 C ATOM 310 CG LYS A 240 7.190 14.898 -15.864 1.00 0.00 C ATOM 311 CD LYS A 240 7.787 14.351 -17.150 1.00 0.00 C ATOM 312 CE LYS A 240 9.033 13.522 -16.877 1.00 0.00 C ATOM 313 NZ LYS A 240 10.128 14.343 -16.290 1.00 0.00 N ATOM 0 H LYS A 240 3.838 13.193 -13.795 1.00 0.00 H new ATOM 0 HA LYS A 240 5.312 15.701 -14.286 1.00 0.00 H new ATOM 0 HB2 LYS A 240 6.531 13.301 -14.604 1.00 0.00 H new ATOM 0 HB3 LYS A 240 5.701 13.389 -16.145 1.00 0.00 H new ATOM 0 HG2 LYS A 240 6.783 15.893 -16.045 1.00 0.00 H new ATOM 0 HG3 LYS A 240 7.974 15.006 -15.115 1.00 0.00 H new ATOM 0 HD2 LYS A 240 7.047 13.739 -17.665 1.00 0.00 H new ATOM 0 HD3 LYS A 240 8.037 15.176 -17.817 1.00 0.00 H new ATOM 0 HE2 LYS A 240 8.785 12.707 -16.197 1.00 0.00 H new ATOM 0 HE3 LYS A 240 9.378 13.068 -17.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 11.045 13.901 -16.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 10.102 15.299 -16.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 10.003 14.402 -15.259 1.00 0.00 H new ATOM 327 N SER A 241 2.602 14.762 -15.298 1.00 0.00 N ATOM 328 CA SER A 241 1.464 14.979 -16.183 1.00 0.00 C ATOM 329 C SER A 241 0.151 14.894 -15.410 1.00 0.00 C ATOM 330 O SER A 241 0.029 14.170 -14.422 1.00 0.00 O ATOM 331 CB SER A 241 1.469 13.953 -17.317 1.00 0.00 C ATOM 332 OG SER A 241 2.489 14.237 -18.259 1.00 0.00 O ATOM 0 H SER A 241 2.357 14.400 -14.377 1.00 0.00 H new ATOM 0 HA SER A 241 1.551 15.979 -16.608 1.00 0.00 H new ATOM 0 HB2 SER A 241 1.617 12.954 -16.907 1.00 0.00 H new ATOM 0 HB3 SER A 241 0.500 13.953 -17.815 1.00 0.00 H new ATOM 0 HG SER A 241 3.032 14.987 -17.937 1.00 0.00 H new ATOM 338 N PRO A 242 -0.856 15.652 -15.870 1.00 0.00 N ATOM 339 CA PRO A 242 -2.178 15.680 -15.238 1.00 0.00 C ATOM 340 C PRO A 242 -2.941 14.374 -15.433 1.00 0.00 C ATOM 341 O PRO A 242 -3.827 14.281 -16.283 1.00 0.00 O ATOM 342 CB PRO A 242 -2.891 16.828 -15.957 1.00 0.00 C ATOM 343 CG PRO A 242 -2.215 16.923 -17.282 1.00 0.00 C ATOM 344 CD PRO A 242 -0.781 16.538 -17.043 1.00 0.00 C ATOM 0 HA PRO A 242 -2.111 15.812 -14.158 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -3.956 16.624 -16.070 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -2.802 17.760 -15.399 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.682 16.257 -18.007 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.286 17.933 -17.685 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.353 16.027 -17.906 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.158 17.411 -16.848 1.00 0.00 H new ATOM 352 N THR A 243 -2.593 13.366 -14.639 1.00 0.00 N ATOM 353 CA THR A 243 -3.245 12.065 -14.725 1.00 0.00 C ATOM 354 C THR A 243 -4.325 11.921 -13.659 1.00 0.00 C ATOM 355 O THR A 243 -4.175 12.406 -12.538 1.00 0.00 O ATOM 356 CB THR A 243 -2.230 10.917 -14.569 1.00 0.00 C ATOM 357 OG1 THR A 243 -1.680 10.573 -15.846 1.00 0.00 O ATOM 358 CG2 THR A 243 -2.887 9.694 -13.948 1.00 0.00 C ATOM 0 H THR A 243 -1.863 13.426 -13.929 1.00 0.00 H new ATOM 0 HA THR A 243 -3.702 12.004 -15.713 1.00 0.00 H new ATOM 0 HB THR A 243 -1.431 11.255 -13.909 1.00 0.00 H new ATOM 0 HG1 THR A 243 -1.034 9.844 -15.738 1.00 0.00 H new ATOM 0 HG21 THR A 243 -2.151 8.897 -13.848 1.00 0.00 H new ATOM 0 HG22 THR A 243 -3.279 9.952 -12.964 1.00 0.00 H new ATOM 0 HG23 THR A 243 -3.703 9.356 -14.586 1.00 0.00 H new ATOM 366 N PHE A 244 -5.415 11.250 -14.016 1.00 0.00 N ATOM 367 CA PHE A 244 -6.522 11.041 -13.090 1.00 0.00 C ATOM 368 C PHE A 244 -6.498 9.625 -12.523 1.00 0.00 C ATOM 369 O PHE A 244 -6.019 8.693 -13.170 1.00 0.00 O ATOM 370 CB PHE A 244 -7.858 11.299 -13.791 1.00 0.00 C ATOM 371 CG PHE A 244 -7.918 12.623 -14.497 1.00 0.00 C ATOM 372 CD1 PHE A 244 -7.152 12.856 -15.628 1.00 0.00 C ATOM 373 CD2 PHE A 244 -8.741 13.635 -14.030 1.00 0.00 C ATOM 374 CE1 PHE A 244 -7.206 14.074 -16.279 1.00 0.00 C ATOM 375 CE2 PHE A 244 -8.799 14.855 -14.677 1.00 0.00 C ATOM 376 CZ PHE A 244 -8.031 15.075 -15.803 1.00 0.00 C ATOM 0 H PHE A 244 -5.555 10.842 -14.940 1.00 0.00 H new ATOM 0 HA PHE A 244 -6.410 11.745 -12.266 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -8.040 10.503 -14.513 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -8.661 11.252 -13.055 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -6.506 12.077 -16.005 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -9.344 13.469 -13.150 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -6.604 14.243 -17.159 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -9.445 15.635 -14.302 1.00 0.00 H new ATOM 0 HZ PHE A 244 -8.075 16.027 -16.311 1.00 0.00 H new ATOM 386 N CYS A 245 -7.017 9.471 -11.310 1.00 0.00 N ATOM 387 CA CYS A 245 -7.055 8.170 -10.653 1.00 0.00 C ATOM 388 C CYS A 245 -7.892 7.179 -11.457 1.00 0.00 C ATOM 389 O CYS A 245 -8.959 7.521 -11.965 1.00 0.00 O ATOM 390 CB CYS A 245 -7.624 8.305 -9.239 1.00 0.00 C ATOM 391 SG CYS A 245 -7.108 6.980 -8.100 1.00 0.00 S ATOM 0 H CYS A 245 -7.418 10.232 -10.761 1.00 0.00 H new ATOM 0 HA CYS A 245 -6.034 7.792 -10.592 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.316 9.265 -8.825 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.712 8.317 -9.296 1.00 0.00 H new ATOM 396 N GLU A 246 -7.399 5.949 -11.567 1.00 0.00 N ATOM 397 CA GLU A 246 -8.101 4.909 -12.310 1.00 0.00 C ATOM 398 C GLU A 246 -8.999 4.092 -11.385 1.00 0.00 C ATOM 399 O GLU A 246 -9.725 3.204 -11.832 1.00 0.00 O ATOM 400 CB GLU A 246 -7.100 3.988 -13.012 1.00 0.00 C ATOM 401 CG GLU A 246 -6.541 4.567 -14.301 1.00 0.00 C ATOM 402 CD GLU A 246 -6.067 5.998 -14.141 1.00 0.00 C ATOM 403 OE1 GLU A 246 -4.984 6.203 -13.555 1.00 0.00 O ATOM 404 OE2 GLU A 246 -6.781 6.914 -14.601 1.00 0.00 O ATOM 0 H GLU A 246 -6.517 5.649 -11.151 1.00 0.00 H new ATOM 0 HA GLU A 246 -8.726 5.393 -13.060 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -6.276 3.775 -12.331 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -7.586 3.037 -13.231 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -5.710 3.949 -14.642 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -7.307 4.527 -15.075 1.00 0.00 H new ATOM 411 N HIS A 247 -8.943 4.399 -10.093 1.00 0.00 N ATOM 412 CA HIS A 247 -9.751 3.693 -9.104 1.00 0.00 C ATOM 413 C HIS A 247 -10.968 4.523 -8.706 1.00 0.00 C ATOM 414 O HIS A 247 -12.101 4.184 -9.047 1.00 0.00 O ATOM 415 CB HIS A 247 -8.912 3.369 -7.868 1.00 0.00 C ATOM 416 CG HIS A 247 -9.709 2.793 -6.738 1.00 0.00 C ATOM 417 ND1 HIS A 247 -10.135 1.482 -6.709 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.157 3.357 -5.592 1.00 0.00 C ATOM 419 CE1 HIS A 247 -10.811 1.265 -5.595 1.00 0.00 C ATOM 420 NE2 HIS A 247 -10.838 2.387 -4.899 1.00 0.00 N ATOM 0 H HIS A 247 -8.347 5.131 -9.706 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.099 2.762 -9.551 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.128 2.664 -8.145 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.417 4.278 -7.526 1.00 0.00 H new ATOM 0 HD1 HIS A 247 -9.956 0.788 -7.435 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.007 4.380 -5.281 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -11.264 0.329 -5.303 1.00 0.00 H new ATOM 428 N CYS A 248 -10.725 5.609 -7.980 1.00 0.00 N ATOM 429 CA CYS A 248 -11.800 6.487 -7.534 1.00 0.00 C ATOM 430 C CYS A 248 -12.284 7.378 -8.674 1.00 0.00 C ATOM 431 O CYS A 248 -13.386 7.924 -8.624 1.00 0.00 O ATOM 432 CB CYS A 248 -11.329 7.350 -6.362 1.00 0.00 C ATOM 433 SG CYS A 248 -10.107 8.621 -6.819 1.00 0.00 S ATOM 0 H CYS A 248 -9.793 5.902 -7.688 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.632 5.863 -7.206 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -12.194 7.838 -5.913 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.896 6.703 -5.599 1.00 0.00 H new ATOM 438 N GLY A 249 -11.452 7.521 -9.701 1.00 0.00 N ATOM 439 CA GLY A 249 -11.812 8.346 -10.839 1.00 0.00 C ATOM 440 C GLY A 249 -11.827 9.824 -10.501 1.00 0.00 C ATOM 441 O GLY A 249 -12.741 10.550 -10.895 1.00 0.00 O ATOM 0 H GLY A 249 -10.535 7.080 -9.765 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -11.106 8.169 -11.650 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -12.796 8.049 -11.202 1.00 0.00 H new ATOM 445 N THR A 250 -10.813 10.272 -9.768 1.00 0.00 N ATOM 446 CA THR A 250 -10.714 11.672 -9.375 1.00 0.00 C ATOM 447 C THR A 250 -9.276 12.168 -9.464 1.00 0.00 C ATOM 448 O THR A 250 -8.330 11.397 -9.297 1.00 0.00 O ATOM 449 CB THR A 250 -11.232 11.891 -7.941 1.00 0.00 C ATOM 450 OG1 THR A 250 -10.245 11.470 -6.993 1.00 0.00 O ATOM 451 CG2 THR A 250 -12.525 11.123 -7.709 1.00 0.00 C ATOM 0 H THR A 250 -10.048 9.685 -9.434 1.00 0.00 H new ATOM 0 HA THR A 250 -11.335 12.239 -10.069 1.00 0.00 H new ATOM 0 HB THR A 250 -11.431 12.955 -7.809 1.00 0.00 H new ATOM 0 HG1 THR A 250 -9.843 10.627 -7.291 1.00 0.00 H new ATOM 0 HG21 THR A 250 -12.871 11.293 -6.690 1.00 0.00 H new ATOM 0 HG22 THR A 250 -13.284 11.467 -8.412 1.00 0.00 H new ATOM 0 HG23 THR A 250 -12.348 10.058 -7.859 1.00 0.00 H new ATOM 459 N LEU A 251 -9.116 13.461 -9.728 1.00 0.00 N ATOM 460 CA LEU A 251 -7.791 14.061 -9.839 1.00 0.00 C ATOM 461 C LEU A 251 -7.030 13.947 -8.522 1.00 0.00 C ATOM 462 O LEU A 251 -7.631 13.854 -7.451 1.00 0.00 O ATOM 463 CB LEU A 251 -7.907 15.530 -10.248 1.00 0.00 C ATOM 464 CG LEU A 251 -8.020 15.801 -11.749 1.00 0.00 C ATOM 465 CD1 LEU A 251 -8.495 17.224 -12.000 1.00 0.00 C ATOM 466 CD2 LEU A 251 -6.686 15.553 -12.438 1.00 0.00 C ATOM 0 H LEU A 251 -9.887 14.113 -9.869 1.00 0.00 H new ATOM 0 HA LEU A 251 -7.237 13.519 -10.606 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -8.781 15.956 -9.755 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -7.035 16.063 -9.867 1.00 0.00 H new ATOM 0 HG LEU A 251 -8.756 15.115 -12.168 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -8.569 17.399 -13.073 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -9.473 17.368 -11.540 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -7.784 17.927 -11.567 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -6.785 15.751 -13.505 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -5.930 16.214 -12.015 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -6.386 14.516 -12.288 1.00 0.00 H new ATOM 478 N LEU A 252 -5.704 13.957 -8.608 1.00 0.00 N ATOM 479 CA LEU A 252 -4.860 13.857 -7.422 1.00 0.00 C ATOM 480 C LEU A 252 -3.886 15.029 -7.347 1.00 0.00 C ATOM 481 O LEU A 252 -2.675 14.837 -7.246 1.00 0.00 O ATOM 482 CB LEU A 252 -4.086 12.538 -7.432 1.00 0.00 C ATOM 483 CG LEU A 252 -4.776 11.361 -8.123 1.00 0.00 C ATOM 484 CD1 LEU A 252 -4.426 11.329 -9.602 1.00 0.00 C ATOM 485 CD2 LEU A 252 -4.391 10.049 -7.454 1.00 0.00 C ATOM 0 H LEU A 252 -5.190 14.033 -9.486 1.00 0.00 H new ATOM 0 HA LEU A 252 -5.505 13.886 -6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -3.125 12.707 -7.919 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -3.875 12.255 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 252 -5.854 11.492 -8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -4.926 10.485 -10.076 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -4.753 12.256 -10.073 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -3.347 11.223 -9.718 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -4.891 9.223 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -3.311 9.912 -7.516 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -4.694 10.072 -6.407 1.00 0.00 H new ATOM 497 N TRP A 253 -4.425 16.242 -7.395 1.00 0.00 N ATOM 498 CA TRP A 253 -3.604 17.446 -7.330 1.00 0.00 C ATOM 499 C TRP A 253 -2.463 17.274 -6.333 1.00 0.00 C ATOM 500 O TRP A 253 -2.631 17.509 -5.137 1.00 0.00 O ATOM 501 CB TRP A 253 -4.460 18.652 -6.941 1.00 0.00 C ATOM 502 CG TRP A 253 -5.310 19.165 -8.064 1.00 0.00 C ATOM 503 CD1 TRP A 253 -6.672 19.113 -8.151 1.00 0.00 C ATOM 504 CD2 TRP A 253 -4.853 19.804 -9.261 1.00 0.00 C ATOM 505 NE1 TRP A 253 -7.090 19.682 -9.330 1.00 0.00 N ATOM 506 CE2 TRP A 253 -5.993 20.115 -10.028 1.00 0.00 C ATOM 507 CE3 TRP A 253 -3.593 20.147 -9.758 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -5.908 20.750 -11.264 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -3.510 20.777 -10.985 1.00 0.00 C ATOM 510 CH2 TRP A 253 -4.661 21.074 -11.727 1.00 0.00 C ATOM 0 H TRP A 253 -5.426 16.418 -7.479 1.00 0.00 H new ATOM 0 HA TRP A 253 -3.176 17.617 -8.318 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -5.103 18.377 -6.105 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -3.809 19.454 -6.593 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -7.325 18.687 -7.403 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -8.059 19.768 -9.636 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -2.700 19.924 -9.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 -6.794 20.979 -11.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -2.541 21.045 -11.379 1.00 0.00 H new ATOM 0 HH2 TRP A 253 -4.563 21.568 -12.682 1.00 0.00 H new ATOM 521 N GLY A 254 -1.302 16.862 -6.833 1.00 0.00 N ATOM 522 CA GLY A 254 -0.151 16.665 -5.971 1.00 0.00 C ATOM 523 C GLY A 254 1.088 16.256 -6.743 1.00 0.00 C ATOM 524 O GLY A 254 1.009 15.466 -7.685 1.00 0.00 O ATOM 0 H GLY A 254 -1.138 16.661 -7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 254 0.052 17.586 -5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -0.383 15.900 -5.230 1.00 0.00 H new ATOM 528 N LEU A 255 2.235 16.794 -6.346 1.00 0.00 N ATOM 529 CA LEU A 255 3.497 16.482 -7.008 1.00 0.00 C ATOM 530 C LEU A 255 4.595 16.209 -5.985 1.00 0.00 C ATOM 531 O LEU A 255 4.401 16.399 -4.785 1.00 0.00 O ATOM 532 CB LEU A 255 3.913 17.633 -7.925 1.00 0.00 C ATOM 533 CG LEU A 255 2.778 18.360 -8.647 1.00 0.00 C ATOM 534 CD1 LEU A 255 3.246 19.718 -9.147 1.00 0.00 C ATOM 535 CD2 LEU A 255 2.254 17.517 -9.801 1.00 0.00 C ATOM 0 H LEU A 255 2.318 17.449 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 255 3.352 15.583 -7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 255 4.465 18.362 -7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 255 4.602 17.243 -8.674 1.00 0.00 H new ATOM 0 HG LEU A 255 1.965 18.517 -7.939 1.00 0.00 H new ATOM 0 HD11 LEU A 255 2.425 20.220 -9.658 1.00 0.00 H new ATOM 0 HD12 LEU A 255 3.572 20.324 -8.302 1.00 0.00 H new ATOM 0 HD13 LEU A 255 4.077 19.584 -9.840 1.00 0.00 H new ATOM 0 HD21 LEU A 255 1.447 18.050 -10.304 1.00 0.00 H new ATOM 0 HD22 LEU A 255 3.061 17.328 -10.509 1.00 0.00 H new ATOM 0 HD23 LEU A 255 1.879 16.568 -9.417 1.00 0.00 H new ATOM 547 N ALA A 256 5.750 15.763 -6.470 1.00 0.00 N ATOM 548 CA ALA A 256 6.881 15.468 -5.598 1.00 0.00 C ATOM 549 C ALA A 256 6.630 14.204 -4.783 1.00 0.00 C ATOM 550 O ALA A 256 6.841 14.185 -3.570 1.00 0.00 O ATOM 551 CB ALA A 256 7.159 16.646 -4.677 1.00 0.00 C ATOM 0 H ALA A 256 5.927 15.598 -7.461 1.00 0.00 H new ATOM 0 HA ALA A 256 7.756 15.297 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 256 8.006 16.412 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 256 7.391 17.528 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 256 6.280 16.844 -4.064 1.00 0.00 H new ATOM 557 N ARG A 257 6.179 13.151 -5.455 1.00 0.00 N ATOM 558 CA ARG A 257 5.898 11.883 -4.792 1.00 0.00 C ATOM 559 C ARG A 257 4.602 11.965 -3.989 1.00 0.00 C ATOM 560 O ARG A 257 4.568 11.609 -2.812 1.00 0.00 O ATOM 561 CB ARG A 257 7.057 11.497 -3.871 1.00 0.00 C ATOM 562 CG ARG A 257 8.427 11.764 -4.473 1.00 0.00 C ATOM 563 CD ARG A 257 8.916 10.580 -5.292 1.00 0.00 C ATOM 564 NE ARG A 257 9.572 9.573 -4.461 1.00 0.00 N ATOM 565 CZ ARG A 257 10.358 8.618 -4.946 1.00 0.00 C ATOM 566 NH1 ARG A 257 10.585 8.541 -6.250 1.00 0.00 N ATOM 567 NH2 ARG A 257 10.919 7.739 -4.126 1.00 0.00 N ATOM 0 H ARG A 257 6.000 13.150 -6.459 1.00 0.00 H new ATOM 0 HA ARG A 257 5.782 11.118 -5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 257 6.966 12.049 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 257 6.978 10.438 -3.625 1.00 0.00 H new ATOM 0 HG2 ARG A 257 8.381 12.651 -5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 257 9.140 11.976 -3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 257 8.073 10.127 -5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 257 9.612 10.930 -6.055 1.00 0.00 H new ATOM 0 HE ARG A 257 9.418 9.605 -3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 257 10.156 9.216 -6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 257 11.189 7.807 -6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 257 10.747 7.796 -3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 257 11.522 7.006 -4.499 1.00 0.00 H new ATOM 581 N GLN A 258 3.541 12.438 -4.635 1.00 0.00 N ATOM 582 CA GLN A 258 2.245 12.567 -3.981 1.00 0.00 C ATOM 583 C GLN A 258 1.308 11.439 -4.399 1.00 0.00 C ATOM 584 O GLN A 258 0.191 11.326 -3.895 1.00 0.00 O ATOM 585 CB GLN A 258 1.614 13.920 -4.315 1.00 0.00 C ATOM 586 CG GLN A 258 0.701 14.453 -3.223 1.00 0.00 C ATOM 587 CD GLN A 258 -0.666 13.796 -3.233 1.00 0.00 C ATOM 588 OE1 GLN A 258 -1.472 14.028 -4.134 1.00 0.00 O ATOM 589 NE2 GLN A 258 -0.934 12.971 -2.228 1.00 0.00 N ATOM 0 H GLN A 258 3.554 12.738 -5.610 1.00 0.00 H new ATOM 0 HA GLN A 258 2.403 12.503 -2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 258 2.407 14.645 -4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 258 1.044 13.827 -5.240 1.00 0.00 H new ATOM 0 HG2 GLN A 258 1.170 14.293 -2.252 1.00 0.00 H new ATOM 0 HG3 GLN A 258 0.583 15.530 -3.346 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -0.236 12.808 -1.502 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -1.838 12.500 -2.182 1.00 0.00 H new ATOM 598 N GLY A 259 1.771 10.605 -5.326 1.00 0.00 N ATOM 599 CA GLY A 259 0.961 9.496 -5.797 1.00 0.00 C ATOM 600 C GLY A 259 1.774 8.234 -6.007 1.00 0.00 C ATOM 601 O GLY A 259 2.902 8.125 -5.526 1.00 0.00 O ATOM 0 H GLY A 259 2.692 10.678 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 259 0.167 9.298 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 259 0.479 9.774 -6.734 1.00 0.00 H new ATOM 605 N LEU A 260 1.200 7.276 -6.727 1.00 0.00 N ATOM 606 CA LEU A 260 1.877 6.013 -6.999 1.00 0.00 C ATOM 607 C LEU A 260 1.667 5.584 -8.448 1.00 0.00 C ATOM 608 O LEU A 260 0.722 6.019 -9.106 1.00 0.00 O ATOM 609 CB LEU A 260 1.367 4.924 -6.054 1.00 0.00 C ATOM 610 CG LEU A 260 1.160 5.343 -4.598 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.256 4.352 -3.881 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.498 5.462 -3.882 1.00 0.00 C ATOM 0 H LEU A 260 0.267 7.350 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 260 2.944 6.158 -6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 260 0.420 4.549 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.072 4.093 -6.075 1.00 0.00 H new ATOM 0 HG LEU A 260 0.676 6.320 -4.586 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.120 4.666 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.713 4.316 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 260 0.712 3.362 -3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 260 2.332 5.761 -2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.009 4.500 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 260 3.113 6.211 -4.382 1.00 0.00 H new ATOM 624 N LYS A 261 2.554 4.725 -8.939 1.00 0.00 N ATOM 625 CA LYS A 261 2.466 4.233 -10.309 1.00 0.00 C ATOM 626 C LYS A 261 2.861 2.762 -10.385 1.00 0.00 C ATOM 627 O LYS A 261 4.013 2.404 -10.133 1.00 0.00 O ATOM 628 CB LYS A 261 3.364 5.062 -11.230 1.00 0.00 C ATOM 629 CG LYS A 261 3.078 4.854 -12.707 1.00 0.00 C ATOM 630 CD LYS A 261 3.668 3.548 -13.211 1.00 0.00 C ATOM 631 CE LYS A 261 3.900 3.586 -14.714 1.00 0.00 C ATOM 632 NZ LYS A 261 2.787 4.268 -15.430 1.00 0.00 N ATOM 0 H LYS A 261 3.342 4.355 -8.408 1.00 0.00 H new ATOM 0 HA LYS A 261 1.431 4.331 -10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 261 3.240 6.118 -10.990 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.406 4.810 -11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.001 4.856 -12.874 1.00 0.00 H new ATOM 0 HG3 LYS A 261 3.490 5.685 -13.279 1.00 0.00 H new ATOM 0 HD2 LYS A 261 4.611 3.352 -12.701 1.00 0.00 H new ATOM 0 HD3 LYS A 261 2.996 2.725 -12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 261 4.837 4.102 -14.924 1.00 0.00 H new ATOM 0 HE3 LYS A 261 4.005 2.569 -15.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 2.837 4.043 -16.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 1.877 3.942 -15.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 2.869 5.297 -15.300 1.00 0.00 H new ATOM 646 N CYS A 262 1.901 1.912 -10.734 1.00 0.00 N ATOM 647 CA CYS A 262 2.148 0.480 -10.844 1.00 0.00 C ATOM 648 C CYS A 262 3.250 0.195 -11.861 1.00 0.00 C ATOM 649 O CYS A 262 3.121 0.524 -13.040 1.00 0.00 O ATOM 650 CB CYS A 262 0.866 -0.251 -11.247 1.00 0.00 C ATOM 651 SG CYS A 262 0.921 -2.052 -10.977 1.00 0.00 S ATOM 0 H CYS A 262 0.943 2.191 -10.946 1.00 0.00 H new ATOM 0 HA CYS A 262 2.474 0.117 -9.869 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.031 0.165 -10.683 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.667 -0.058 -12.301 1.00 0.00 H new ATOM 656 N ASP A 263 4.333 -0.418 -11.395 1.00 0.00 N ATOM 657 CA ASP A 263 5.457 -0.748 -12.263 1.00 0.00 C ATOM 658 C ASP A 263 5.212 -2.066 -12.992 1.00 0.00 C ATOM 659 O ASP A 263 6.065 -2.541 -13.741 1.00 0.00 O ATOM 660 CB ASP A 263 6.749 -0.835 -11.449 1.00 0.00 C ATOM 661 CG ASP A 263 7.982 -0.572 -12.291 1.00 0.00 C ATOM 662 OD1 ASP A 263 7.926 0.322 -13.162 1.00 0.00 O ATOM 663 OD2 ASP A 263 9.003 -1.260 -12.080 1.00 0.00 O ATOM 0 H ASP A 263 4.456 -0.696 -10.421 1.00 0.00 H new ATOM 0 HA ASP A 263 5.556 0.045 -13.005 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.710 -0.114 -10.632 1.00 0.00 H new ATOM 0 HB3 ASP A 263 6.825 -1.824 -10.998 1.00 0.00 H new ATOM 668 N ALA A 264 4.040 -2.651 -12.767 1.00 0.00 N ATOM 669 CA ALA A 264 3.682 -3.913 -13.403 1.00 0.00 C ATOM 670 C ALA A 264 2.868 -3.678 -14.671 1.00 0.00 C ATOM 671 O ALA A 264 3.252 -4.113 -15.757 1.00 0.00 O ATOM 672 CB ALA A 264 2.908 -4.792 -12.432 1.00 0.00 C ATOM 0 H ALA A 264 3.323 -2.271 -12.149 1.00 0.00 H new ATOM 0 HA ALA A 264 4.603 -4.424 -13.684 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.647 -5.731 -12.920 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.524 -4.997 -11.556 1.00 0.00 H new ATOM 0 HB3 ALA A 264 1.998 -4.279 -12.123 1.00 0.00 H new ATOM 678 N CYS A 265 1.742 -2.987 -14.526 1.00 0.00 N ATOM 679 CA CYS A 265 0.873 -2.694 -15.659 1.00 0.00 C ATOM 680 C CYS A 265 1.018 -1.239 -16.094 1.00 0.00 C ATOM 681 O CYS A 265 0.932 -0.923 -17.280 1.00 0.00 O ATOM 682 CB CYS A 265 -0.585 -2.988 -15.299 1.00 0.00 C ATOM 683 SG CYS A 265 -1.242 -1.950 -13.954 1.00 0.00 S ATOM 0 H CYS A 265 1.410 -2.619 -13.634 1.00 0.00 H new ATOM 0 HA CYS A 265 1.172 -3.334 -16.489 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.203 -2.848 -16.186 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -0.673 -4.036 -15.011 1.00 0.00 H new ATOM 688 N GLY A 266 1.240 -0.356 -15.124 1.00 0.00 N ATOM 689 CA GLY A 266 1.394 1.055 -15.427 1.00 0.00 C ATOM 690 C GLY A 266 0.120 1.841 -15.187 1.00 0.00 C ATOM 691 O GLY A 266 -0.560 2.238 -16.133 1.00 0.00 O ATOM 0 H GLY A 266 1.316 -0.593 -14.135 1.00 0.00 H new ATOM 0 HA2 GLY A 266 2.194 1.470 -14.814 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.697 1.169 -16.468 1.00 0.00 H new ATOM 695 N MET A 267 -0.204 2.066 -13.918 1.00 0.00 N ATOM 696 CA MET A 267 -1.406 2.810 -13.557 1.00 0.00 C ATOM 697 C MET A 267 -1.125 3.771 -12.406 1.00 0.00 C ATOM 698 O MET A 267 -0.396 3.439 -11.472 1.00 0.00 O ATOM 699 CB MET A 267 -2.530 1.848 -13.170 1.00 0.00 C ATOM 700 CG MET A 267 -3.837 2.546 -12.831 1.00 0.00 C ATOM 701 SD MET A 267 -5.174 1.387 -12.482 1.00 0.00 S ATOM 702 CE MET A 267 -4.261 0.023 -11.764 1.00 0.00 C ATOM 0 H MET A 267 0.348 1.744 -13.123 1.00 0.00 H new ATOM 0 HA MET A 267 -1.718 3.391 -14.425 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.701 1.153 -13.992 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.211 1.255 -12.313 1.00 0.00 H new ATOM 0 HG2 MET A 267 -3.686 3.191 -11.966 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.127 3.189 -13.662 1.00 0.00 H new ATOM 0 HE1 MET A 267 -4.959 -0.696 -11.335 1.00 0.00 H new ATOM 0 HE2 MET A 267 -3.667 -0.465 -12.537 1.00 0.00 H new ATOM 0 HE3 MET A 267 -3.601 0.399 -10.982 1.00 0.00 H new ATOM 712 N ASN A 268 -1.708 4.963 -12.481 1.00 0.00 N ATOM 713 CA ASN A 268 -1.519 5.972 -11.445 1.00 0.00 C ATOM 714 C ASN A 268 -2.763 6.094 -10.571 1.00 0.00 C ATOM 715 O ASN A 268 -3.857 6.368 -11.064 1.00 0.00 O ATOM 716 CB ASN A 268 -1.192 7.327 -12.077 1.00 0.00 C ATOM 717 CG ASN A 268 -0.437 7.187 -13.385 1.00 0.00 C ATOM 718 OD1 ASN A 268 0.778 7.378 -13.438 1.00 0.00 O ATOM 719 ND2 ASN A 268 -1.157 6.852 -14.450 1.00 0.00 N ATOM 0 H ASN A 268 -2.315 5.254 -13.248 1.00 0.00 H new ATOM 0 HA ASN A 268 -0.684 5.660 -10.817 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.117 7.876 -12.251 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -0.598 7.917 -11.379 1.00 0.00 H new ATOM 0 HD21 ASN A 268 -0.705 6.743 -15.358 1.00 0.00 H new ATOM 0 HD22 ASN A 268 -2.162 6.703 -14.360 1.00 0.00 H new ATOM 726 N VAL A 269 -2.588 5.889 -9.269 1.00 0.00 N ATOM 727 CA VAL A 269 -3.695 5.977 -8.325 1.00 0.00 C ATOM 728 C VAL A 269 -3.264 6.667 -7.035 1.00 0.00 C ATOM 729 O VAL A 269 -2.072 6.820 -6.769 1.00 0.00 O ATOM 730 CB VAL A 269 -4.256 4.583 -7.986 1.00 0.00 C ATOM 731 CG1 VAL A 269 -4.825 3.919 -9.231 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.179 3.715 -7.353 1.00 0.00 C ATOM 0 H VAL A 269 -1.689 5.661 -8.844 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.475 6.567 -8.806 1.00 0.00 H new ATOM 0 HB VAL A 269 -5.065 4.701 -7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.217 2.935 -8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.628 4.534 -9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.038 3.811 -9.978 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.593 2.734 -7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.347 3.602 -8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.824 4.186 -6.436 1.00 0.00 H new ATOM 742 N HIS A 270 -4.243 7.081 -6.237 1.00 0.00 N ATOM 743 CA HIS A 270 -3.965 7.754 -4.973 1.00 0.00 C ATOM 744 C HIS A 270 -3.153 6.855 -4.046 1.00 0.00 C ATOM 745 O HIS A 270 -2.851 5.709 -4.382 1.00 0.00 O ATOM 746 CB HIS A 270 -5.271 8.162 -4.290 1.00 0.00 C ATOM 747 CG HIS A 270 -5.828 9.460 -4.791 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.959 9.540 -5.575 1.00 0.00 N ATOM 749 CD2 HIS A 270 -5.403 10.732 -4.613 1.00 0.00 C ATOM 750 CE1 HIS A 270 -7.205 10.807 -5.859 1.00 0.00 C ATOM 751 NE2 HIS A 270 -6.276 11.551 -5.287 1.00 0.00 N ATOM 0 H HIS A 270 -5.235 6.962 -6.443 1.00 0.00 H new ATOM 0 HA HIS A 270 -3.380 8.649 -5.187 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -6.011 7.376 -4.440 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -5.101 8.239 -3.216 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -4.538 11.045 -4.047 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -8.027 11.172 -6.457 1.00 0.00 H new ATOM 0 HE2 HIS A 270 -6.216 12.568 -5.337 1.00 0.00 H new ATOM 759 N HIS A 271 -2.800 7.382 -2.877 1.00 0.00 N ATOM 760 CA HIS A 271 -2.022 6.627 -1.902 1.00 0.00 C ATOM 761 C HIS A 271 -2.880 5.558 -1.232 1.00 0.00 C ATOM 762 O HIS A 271 -2.386 4.493 -0.863 1.00 0.00 O ATOM 763 CB HIS A 271 -1.441 7.567 -0.845 1.00 0.00 C ATOM 764 CG HIS A 271 -0.211 8.291 -1.298 1.00 0.00 C ATOM 765 ND1 HIS A 271 0.749 7.714 -2.102 1.00 0.00 N ATOM 766 CD2 HIS A 271 0.212 9.554 -1.058 1.00 0.00 C ATOM 767 CE1 HIS A 271 1.710 8.589 -2.335 1.00 0.00 C ATOM 768 NE2 HIS A 271 1.408 9.715 -1.713 1.00 0.00 N ATOM 0 H HIS A 271 -3.041 8.329 -2.583 1.00 0.00 H new ATOM 0 HA HIS A 271 -1.205 6.134 -2.429 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -2.200 8.297 -0.564 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -1.205 6.992 0.050 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -0.297 10.297 -0.462 1.00 0.00 H new ATOM 0 HE1 HIS A 271 2.593 8.414 -2.932 1.00 0.00 H new ATOM 0 HE2 HIS A 271 1.971 10.565 -1.719 1.00 0.00 H new ATOM 776 N ARG A 272 -4.168 5.850 -1.078 1.00 0.00 N ATOM 777 CA ARG A 272 -5.094 4.915 -0.452 1.00 0.00 C ATOM 778 C ARG A 272 -5.795 4.058 -1.502 1.00 0.00 C ATOM 779 O ARG A 272 -5.888 2.838 -1.363 1.00 0.00 O ATOM 780 CB ARG A 272 -6.131 5.671 0.381 1.00 0.00 C ATOM 781 CG ARG A 272 -6.781 4.823 1.461 1.00 0.00 C ATOM 782 CD ARG A 272 -5.803 4.500 2.580 1.00 0.00 C ATOM 783 NE ARG A 272 -5.072 5.683 3.027 1.00 0.00 N ATOM 784 CZ ARG A 272 -5.633 6.684 3.695 1.00 0.00 C ATOM 785 NH1 ARG A 272 -6.924 6.645 3.993 1.00 0.00 N ATOM 786 NH2 ARG A 272 -4.902 7.727 4.068 1.00 0.00 N ATOM 0 H ARG A 272 -4.593 6.727 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.521 4.259 0.203 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -5.652 6.533 0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.906 6.056 -0.282 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -7.642 5.351 1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -7.153 3.897 1.023 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -6.345 4.069 3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -5.096 3.745 2.237 1.00 0.00 H new ATOM 0 HE ARG A 272 -4.076 5.743 2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -7.489 5.845 3.709 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -7.352 7.415 4.506 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -3.908 7.760 3.842 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -5.334 8.495 4.581 1.00 0.00 H new ATOM 800 N CYS A 273 -6.289 4.706 -2.552 1.00 0.00 N ATOM 801 CA CYS A 273 -6.983 4.005 -3.626 1.00 0.00 C ATOM 802 C CYS A 273 -6.212 2.758 -4.049 1.00 0.00 C ATOM 803 O CYS A 273 -6.789 1.814 -4.588 1.00 0.00 O ATOM 804 CB CYS A 273 -7.174 4.932 -4.828 1.00 0.00 C ATOM 805 SG CYS A 273 -8.363 6.283 -4.544 1.00 0.00 S ATOM 0 H CYS A 273 -6.222 5.715 -2.682 1.00 0.00 H new ATOM 0 HA CYS A 273 -7.960 3.698 -3.254 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -6.210 5.362 -5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.509 4.340 -5.680 1.00 0.00 H new ATOM 810 N GLN A 274 -4.906 2.763 -3.801 1.00 0.00 N ATOM 811 CA GLN A 274 -4.057 1.633 -4.156 1.00 0.00 C ATOM 812 C GLN A 274 -4.512 0.364 -3.443 1.00 0.00 C ATOM 813 O GLN A 274 -4.651 -0.693 -4.059 1.00 0.00 O ATOM 814 CB GLN A 274 -2.598 1.934 -3.807 1.00 0.00 C ATOM 815 CG GLN A 274 -2.234 1.591 -2.371 1.00 0.00 C ATOM 816 CD GLN A 274 -0.758 1.783 -2.082 1.00 0.00 C ATOM 817 OE1 GLN A 274 0.099 1.229 -2.771 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.453 2.572 -1.059 1.00 0.00 N ATOM 0 H GLN A 274 -4.413 3.537 -3.356 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.140 1.473 -5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -1.949 1.375 -4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.402 2.992 -3.980 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -2.817 2.215 -1.693 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.509 0.556 -2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -1.195 3.011 -0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.524 2.739 -0.817 1.00 0.00 H new ATOM 827 N THR A 275 -4.742 0.475 -2.138 1.00 0.00 N ATOM 828 CA THR A 275 -5.180 -0.663 -1.340 1.00 0.00 C ATOM 829 C THR A 275 -6.611 -1.058 -1.685 1.00 0.00 C ATOM 830 O THR A 275 -7.079 -2.131 -1.304 1.00 0.00 O ATOM 831 CB THR A 275 -5.093 -0.358 0.168 1.00 0.00 C ATOM 832 OG1 THR A 275 -5.453 1.005 0.414 1.00 0.00 O ATOM 833 CG2 THR A 275 -3.689 -0.619 0.692 1.00 0.00 C ATOM 0 H THR A 275 -4.632 1.342 -1.612 1.00 0.00 H new ATOM 0 HA THR A 275 -4.511 -1.491 -1.575 1.00 0.00 H new ATOM 0 HB THR A 275 -5.787 -1.016 0.690 1.00 0.00 H new ATOM 0 HG1 THR A 275 -5.930 1.363 -0.364 1.00 0.00 H new ATOM 0 HG21 THR A 275 -3.652 -0.397 1.758 1.00 0.00 H new ATOM 0 HG22 THR A 275 -3.429 -1.665 0.530 1.00 0.00 H new ATOM 0 HG23 THR A 275 -2.979 0.018 0.164 1.00 0.00 H new ATOM 841 N LYS A 276 -7.303 -0.185 -2.409 1.00 0.00 N ATOM 842 CA LYS A 276 -8.682 -0.443 -2.808 1.00 0.00 C ATOM 843 C LYS A 276 -8.732 -1.261 -4.094 1.00 0.00 C ATOM 844 O LYS A 276 -9.626 -2.085 -4.284 1.00 0.00 O ATOM 845 CB LYS A 276 -9.434 0.875 -2.999 1.00 0.00 C ATOM 846 CG LYS A 276 -9.549 1.700 -1.729 1.00 0.00 C ATOM 847 CD LYS A 276 -10.567 2.819 -1.881 1.00 0.00 C ATOM 848 CE LYS A 276 -11.990 2.284 -1.863 1.00 0.00 C ATOM 849 NZ LYS A 276 -12.263 1.475 -0.642 1.00 0.00 N ATOM 0 H LYS A 276 -6.931 0.708 -2.732 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.162 -1.016 -2.015 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -8.926 1.466 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.434 0.661 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -9.838 1.054 -0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -8.576 2.123 -1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -10.438 3.541 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -10.389 3.350 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -12.692 3.117 -1.911 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -12.159 1.672 -2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -13.290 1.414 -0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -11.874 0.518 -0.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -11.816 1.927 0.181 1.00 0.00 H new ATOM 863 N VAL A 277 -7.764 -1.029 -4.976 1.00 0.00 N ATOM 864 CA VAL A 277 -7.697 -1.746 -6.244 1.00 0.00 C ATOM 865 C VAL A 277 -7.516 -3.243 -6.019 1.00 0.00 C ATOM 866 O VAL A 277 -6.803 -3.662 -5.108 1.00 0.00 O ATOM 867 CB VAL A 277 -6.543 -1.226 -7.122 1.00 0.00 C ATOM 868 CG1 VAL A 277 -6.832 -1.486 -8.592 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.308 0.256 -6.870 1.00 0.00 C ATOM 0 H VAL A 277 -7.016 -0.350 -4.835 1.00 0.00 H new ATOM 0 HA VAL A 277 -8.642 -1.571 -6.758 1.00 0.00 H new ATOM 0 HB VAL A 277 -5.634 -1.765 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.006 -1.112 -9.197 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -6.946 -2.557 -8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -7.751 -0.975 -8.878 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.489 0.607 -7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.213 0.814 -7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.053 0.411 -5.822 1.00 0.00 H new ATOM 879 N ALA A 278 -8.166 -4.044 -6.857 1.00 0.00 N ATOM 880 CA ALA A 278 -8.075 -5.495 -6.752 1.00 0.00 C ATOM 881 C ALA A 278 -6.693 -5.990 -7.166 1.00 0.00 C ATOM 882 O ALA A 278 -5.862 -5.215 -7.638 1.00 0.00 O ATOM 883 CB ALA A 278 -9.150 -6.154 -7.602 1.00 0.00 C ATOM 0 H ALA A 278 -8.761 -3.712 -7.616 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.233 -5.770 -5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.070 -7.237 -7.514 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.133 -5.834 -7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -9.018 -5.864 -8.644 1.00 0.00 H new ATOM 889 N ASN A 279 -6.455 -7.285 -6.985 1.00 0.00 N ATOM 890 CA ASN A 279 -5.172 -7.882 -7.340 1.00 0.00 C ATOM 891 C ASN A 279 -5.218 -8.475 -8.745 1.00 0.00 C ATOM 892 O ASN A 279 -4.844 -9.629 -8.956 1.00 0.00 O ATOM 893 CB ASN A 279 -4.795 -8.967 -6.329 1.00 0.00 C ATOM 894 CG ASN A 279 -4.778 -8.449 -4.904 1.00 0.00 C ATOM 895 OD1 ASN A 279 -5.164 -7.310 -4.641 1.00 0.00 O ATOM 896 ND2 ASN A 279 -4.328 -9.285 -3.975 1.00 0.00 N ATOM 0 H ASN A 279 -7.132 -7.940 -6.595 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.416 -7.097 -7.321 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -5.504 -9.792 -6.404 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -3.812 -9.367 -6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -4.293 -8.991 -2.999 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -4.018 -10.221 -4.238 1.00 0.00 H new ATOM 903 N LEU A 280 -5.677 -7.677 -9.702 1.00 0.00 N ATOM 904 CA LEU A 280 -5.771 -8.121 -11.089 1.00 0.00 C ATOM 905 C LEU A 280 -4.894 -7.264 -11.996 1.00 0.00 C ATOM 906 O LEU A 280 -5.393 -6.437 -12.760 1.00 0.00 O ATOM 907 CB LEU A 280 -7.223 -8.066 -11.565 1.00 0.00 C ATOM 908 CG LEU A 280 -8.277 -8.541 -10.564 1.00 0.00 C ATOM 909 CD1 LEU A 280 -9.649 -8.001 -10.936 1.00 0.00 C ATOM 910 CD2 LEU A 280 -8.300 -10.061 -10.495 1.00 0.00 C ATOM 0 H LEU A 280 -5.990 -6.719 -9.544 1.00 0.00 H new ATOM 0 HA LEU A 280 -5.417 -9.151 -11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.454 -7.038 -11.845 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -7.311 -8.669 -12.468 1.00 0.00 H new ATOM 0 HG LEU A 280 -8.014 -8.157 -9.579 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -10.386 -8.350 -10.212 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -9.624 -6.911 -10.932 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -9.922 -8.354 -11.930 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -9.056 -10.381 -9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -8.538 -10.466 -11.478 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -7.323 -10.426 -10.179 1.00 0.00 H new ATOM 922 N CYS A 281 -3.584 -7.468 -11.908 1.00 0.00 N ATOM 923 CA CYS A 281 -2.636 -6.716 -12.721 1.00 0.00 C ATOM 924 C CYS A 281 -2.297 -7.473 -14.002 1.00 0.00 C ATOM 925 O CYS A 281 -1.721 -8.559 -13.960 1.00 0.00 O ATOM 926 CB CYS A 281 -1.358 -6.439 -11.927 1.00 0.00 C ATOM 927 SG CYS A 281 -0.233 -5.246 -12.721 1.00 0.00 S ATOM 0 H CYS A 281 -3.155 -8.148 -11.281 1.00 0.00 H new ATOM 0 HA CYS A 281 -3.101 -5.768 -12.992 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.630 -6.064 -10.940 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.826 -7.378 -11.776 1.00 0.00 H new ATOM 932 N GLY A 282 -2.660 -6.891 -15.141 1.00 0.00 N ATOM 933 CA GLY A 282 -2.387 -7.524 -16.418 1.00 0.00 C ATOM 934 C GLY A 282 -3.495 -8.466 -16.847 1.00 0.00 C ATOM 935 O GLY A 282 -3.459 -9.016 -17.948 1.00 0.00 O ATOM 0 H GLY A 282 -3.138 -5.992 -15.202 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -2.252 -6.756 -17.179 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -1.450 -8.076 -16.353 1.00 0.00 H new ATOM 939 N ILE A 283 -4.480 -8.654 -15.975 1.00 0.00 N ATOM 940 CA ILE A 283 -5.602 -9.537 -16.270 1.00 0.00 C ATOM 941 C ILE A 283 -6.332 -9.094 -17.533 1.00 0.00 C ATOM 942 O ILE A 283 -7.044 -9.879 -18.158 1.00 0.00 O ATOM 943 CB ILE A 283 -6.604 -9.583 -15.101 1.00 0.00 C ATOM 944 CG1 ILE A 283 -5.995 -10.322 -13.907 1.00 0.00 C ATOM 945 CG2 ILE A 283 -7.899 -10.250 -15.539 1.00 0.00 C ATOM 946 CD1 ILE A 283 -5.321 -11.623 -14.282 1.00 0.00 C ATOM 0 H ILE A 283 -4.524 -8.207 -15.059 1.00 0.00 H new ATOM 0 HA ILE A 283 -5.188 -10.534 -16.423 1.00 0.00 H new ATOM 0 HB ILE A 283 -6.830 -8.561 -14.795 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -5.268 -9.672 -13.420 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -6.779 -10.525 -13.177 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -8.597 -10.275 -14.702 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -8.339 -9.686 -16.361 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -7.691 -11.268 -15.868 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -4.912 -12.092 -13.387 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -6.050 -12.291 -14.741 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -4.515 -11.425 -14.988 1.00 0.00 H new ATOM 958 N ASN A 284 -6.149 -7.831 -17.904 1.00 0.00 N ATOM 959 CA ASN A 284 -6.790 -7.284 -19.095 1.00 0.00 C ATOM 960 C ASN A 284 -5.900 -7.460 -20.321 1.00 0.00 C ATOM 961 O ASN A 284 -4.674 -7.469 -20.215 1.00 0.00 O ATOM 962 CB ASN A 284 -7.109 -5.801 -18.892 1.00 0.00 C ATOM 963 CG ASN A 284 -7.749 -5.175 -20.115 1.00 0.00 C ATOM 964 OD1 ASN A 284 -7.075 -4.536 -20.924 1.00 0.00 O ATOM 965 ND2 ASN A 284 -9.057 -5.356 -20.257 1.00 0.00 N ATOM 0 H ASN A 284 -5.563 -7.167 -17.398 1.00 0.00 H new ATOM 0 HA ASN A 284 -7.719 -7.830 -19.261 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -7.777 -5.689 -18.038 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -6.191 -5.264 -18.651 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -9.543 -4.958 -21.061 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -9.576 -5.893 -19.562 1.00 0.00 H new TER 972 ASN A 284 HETATM 973 ZN ZN A 300 -0.799 -3.112 -11.966 1.00 0.00 ZN HETATM 974 ZN ZN A 400 -7.986 7.866 -6.144 1.00 0.00 ZN