USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 THR OG1 : rot 176:sc= -0.107 USER MOD Set 1.2: A 32 LYS NZ :NH3+ -146:sc= 0.0214 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot -36:sc= 0.486 USER MOD Single : A 12 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0144) USER MOD Single : A 14 MET CE :methyl 164:sc= -3.71! (180deg=-4.53!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.0167 (180deg=-0.406) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.114) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.02) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0575 X(o=-0.058,f=-0.5) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -160:sc= -2.59! USER MOD Single : A 63 SER OG : rot -110:sc= -1.25 USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 4 5.716 5.438 10.312 1.00 0.00 N ATOM 34 CA LYS A 4 5.536 4.568 9.162 1.00 0.00 C ATOM 35 C LYS A 4 5.860 5.345 7.884 1.00 0.00 C ATOM 36 O LYS A 4 5.313 5.056 6.822 1.00 0.00 O ATOM 37 CB LYS A 4 4.137 3.952 9.169 1.00 0.00 C ATOM 38 CG LYS A 4 4.183 2.478 8.760 1.00 0.00 C ATOM 39 CD LYS A 4 4.373 1.577 9.981 1.00 0.00 C ATOM 40 CE LYS A 4 4.735 0.151 9.559 1.00 0.00 C ATOM 41 NZ LYS A 4 4.275 -0.823 10.574 1.00 0.00 N ATOM 0 HA LYS A 4 6.229 3.728 9.209 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.701 4.043 10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.490 4.502 8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.260 2.210 8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.998 2.318 8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.159 1.982 10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.458 1.564 10.574 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.279 -0.076 8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.814 0.067 9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.529 -1.785 10.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.730 -0.615 11.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.243 -0.754 10.679 1.00 0.00 H new ATOM 51 N ILE A 5 6.749 6.317 8.030 1.00 0.00 N ATOM 52 CA ILE A 5 7.152 7.138 6.901 1.00 0.00 C ATOM 53 C ILE A 5 7.788 6.250 5.832 1.00 0.00 C ATOM 54 O ILE A 5 7.774 6.588 4.649 1.00 0.00 O ATOM 55 CB ILE A 5 8.054 8.283 7.367 1.00 0.00 C ATOM 56 CG1 ILE A 5 7.753 9.568 6.594 1.00 0.00 C ATOM 57 CG2 ILE A 5 9.531 7.890 7.272 1.00 0.00 C ATOM 58 CD1 ILE A 5 7.881 9.344 5.086 1.00 0.00 C ATOM 0 H ILE A 5 7.201 6.554 8.913 1.00 0.00 H new ATOM 0 HA ILE A 5 6.283 7.613 6.445 1.00 0.00 H new ATOM 0 HB ILE A 5 7.839 8.481 8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.746 9.911 6.830 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.439 10.355 6.908 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.151 8.721 7.609 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.717 7.020 7.901 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.778 7.649 6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.662 10.273 4.560 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.896 9.025 4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.176 8.574 4.771 1.00 0.00 H new ATOM 69 N GLY A 6 8.331 5.129 6.284 1.00 0.00 N ATOM 70 CA GLY A 6 8.972 4.189 5.381 1.00 0.00 C ATOM 71 C GLY A 6 7.946 3.536 4.452 1.00 0.00 C ATOM 72 O GLY A 6 7.942 3.791 3.248 1.00 0.00 O ATOM 0 H GLY A 6 8.340 4.851 7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 6 9.728 4.705 4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.488 3.421 5.956 1.00 0.00 H new ATOM 76 N LEU A 7 7.100 2.708 5.046 1.00 0.00 N ATOM 77 CA LEU A 7 6.072 2.016 4.286 1.00 0.00 C ATOM 78 C LEU A 7 5.310 3.029 3.429 1.00 0.00 C ATOM 79 O LEU A 7 4.920 2.725 2.303 1.00 0.00 O ATOM 80 CB LEU A 7 5.174 1.202 5.219 1.00 0.00 C ATOM 81 CG LEU A 7 5.114 -0.303 4.947 1.00 0.00 C ATOM 82 CD1 LEU A 7 6.484 -0.952 5.150 1.00 0.00 C ATOM 83 CD2 LEU A 7 4.032 -0.971 5.799 1.00 0.00 C ATOM 0 H LEU A 7 7.105 2.500 6.045 1.00 0.00 H new ATOM 0 HA LEU A 7 6.522 1.295 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.516 1.353 6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.162 1.603 5.158 1.00 0.00 H new ATOM 0 HG LEU A 7 4.839 -0.451 3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.413 -2.021 4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.205 -0.502 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.812 -0.796 6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.010 -2.040 5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.253 -0.815 6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 7 3.062 -0.534 5.563 1.00 0.00 H new ATOM 94 N LYS A 8 5.121 4.212 3.995 1.00 0.00 N ATOM 95 CA LYS A 8 4.413 5.272 3.296 1.00 0.00 C ATOM 96 C LYS A 8 5.268 5.766 2.128 1.00 0.00 C ATOM 97 O LYS A 8 4.760 5.981 1.029 1.00 0.00 O ATOM 98 CB LYS A 8 4.004 6.377 4.272 1.00 0.00 C ATOM 99 CG LYS A 8 2.784 7.141 3.754 1.00 0.00 C ATOM 100 CD LYS A 8 2.537 8.404 4.582 1.00 0.00 C ATOM 101 CE LYS A 8 3.379 9.572 4.065 1.00 0.00 C ATOM 102 NZ LYS A 8 3.664 10.529 5.156 1.00 0.00 N ATOM 0 H LYS A 8 5.446 4.460 4.930 1.00 0.00 H new ATOM 0 HA LYS A 8 3.483 4.894 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.779 5.942 5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.836 7.067 4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.936 7.411 2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.904 6.498 3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.480 8.668 4.543 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.779 8.211 5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.314 9.197 3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.851 10.079 3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.236 11.315 4.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.769 10.900 5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.187 10.046 5.914 1.00 0.00 H new ATOM 112 N VAL A 9 6.553 5.932 2.406 1.00 0.00 N ATOM 113 CA VAL A 9 7.484 6.399 1.392 1.00 0.00 C ATOM 114 C VAL A 9 7.360 5.516 0.149 1.00 0.00 C ATOM 115 O VAL A 9 6.993 5.994 -0.923 1.00 0.00 O ATOM 116 CB VAL A 9 8.903 6.435 1.962 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.944 6.269 0.853 1.00 0.00 C ATOM 118 CG2 VAL A 9 9.144 7.722 2.752 1.00 0.00 C ATOM 0 H VAL A 9 6.971 5.752 3.319 1.00 0.00 H new ATOM 0 HA VAL A 9 7.244 7.419 1.092 1.00 0.00 H new ATOM 0 HB VAL A 9 9.009 5.596 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.944 6.298 1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.793 5.313 0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.838 7.078 0.130 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.160 7.722 3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.009 8.582 2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.435 7.780 3.577 1.00 0.00 H new ATOM 128 N LEU A 10 7.675 4.242 0.333 1.00 0.00 N ATOM 129 CA LEU A 10 7.604 3.288 -0.761 1.00 0.00 C ATOM 130 C LEU A 10 6.220 3.363 -1.408 1.00 0.00 C ATOM 131 O LEU A 10 6.108 3.472 -2.628 1.00 0.00 O ATOM 132 CB LEU A 10 7.980 1.886 -0.274 1.00 0.00 C ATOM 133 CG LEU A 10 9.242 1.279 -0.890 1.00 0.00 C ATOM 134 CD1 LEU A 10 10.497 1.768 -0.165 1.00 0.00 C ATOM 135 CD2 LEU A 10 9.156 -0.248 -0.920 1.00 0.00 C ATOM 0 H LEU A 10 7.980 3.848 1.223 1.00 0.00 H new ATOM 0 HA LEU A 10 8.331 3.539 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.108 1.921 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.143 1.217 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 10 9.315 1.619 -1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 10 11.379 1.321 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.560 2.854 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.447 1.478 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.065 -0.655 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 10 9.046 -0.626 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.295 -0.552 -1.515 1.00 0.00 H new ATOM 146 N TYR A 11 5.203 3.303 -0.563 1.00 0.00 N ATOM 147 CA TYR A 11 3.831 3.363 -1.038 1.00 0.00 C ATOM 148 C TYR A 11 3.598 4.615 -1.887 1.00 0.00 C ATOM 149 O TYR A 11 3.242 4.517 -3.060 1.00 0.00 O ATOM 150 CB TYR A 11 2.954 3.439 0.213 1.00 0.00 C ATOM 151 CG TYR A 11 1.679 4.265 0.029 1.00 0.00 C ATOM 152 CD1 TYR A 11 0.992 4.218 -1.166 1.00 0.00 C ATOM 153 CD2 TYR A 11 1.217 5.059 1.061 1.00 0.00 C ATOM 154 CE1 TYR A 11 -0.208 4.996 -1.338 1.00 0.00 C ATOM 155 CE2 TYR A 11 0.017 5.836 0.888 1.00 0.00 C ATOM 156 CZ TYR A 11 -0.636 5.767 -0.303 1.00 0.00 C ATOM 157 OH TYR A 11 -1.769 6.502 -0.465 1.00 0.00 O ATOM 0 H TYR A 11 5.301 3.213 0.448 1.00 0.00 H new ATOM 0 HA TYR A 11 3.602 2.496 -1.657 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.680 2.428 0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.538 3.867 1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.354 3.598 -1.973 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.755 5.097 1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.756 4.968 -2.268 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.356 6.460 1.687 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.818 6.828 -1.388 1.00 0.00 H new ATOM 166 N LYS A 12 3.811 5.762 -1.261 1.00 0.00 N ATOM 167 CA LYS A 12 3.629 7.033 -1.943 1.00 0.00 C ATOM 168 C LYS A 12 4.447 7.034 -3.236 1.00 0.00 C ATOM 169 O LYS A 12 4.042 7.632 -4.231 1.00 0.00 O ATOM 170 CB LYS A 12 3.959 8.197 -1.006 1.00 0.00 C ATOM 171 CG LYS A 12 5.359 8.747 -1.288 1.00 0.00 C ATOM 172 CD LYS A 12 5.365 9.608 -2.552 1.00 0.00 C ATOM 173 CE LYS A 12 5.642 11.075 -2.216 1.00 0.00 C ATOM 174 NZ LYS A 12 7.057 11.259 -1.823 1.00 0.00 N ATOM 0 H LYS A 12 4.108 5.839 -0.288 1.00 0.00 H new ATOM 0 HA LYS A 12 2.585 7.168 -2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.221 8.989 -1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.897 7.864 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.699 9.339 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.062 7.922 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.123 9.240 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.404 9.523 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.414 11.701 -3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.988 11.398 -1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.276 12.275 -1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.217 10.830 -0.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.674 10.802 -2.524 1.00 0.00 H new ATOM 184 N LEU A 13 5.585 6.356 -3.180 1.00 0.00 N ATOM 185 CA LEU A 13 6.462 6.271 -4.334 1.00 0.00 C ATOM 186 C LEU A 13 5.912 5.231 -5.312 1.00 0.00 C ATOM 187 O LEU A 13 6.187 5.294 -6.509 1.00 0.00 O ATOM 188 CB LEU A 13 7.902 5.998 -3.892 1.00 0.00 C ATOM 189 CG LEU A 13 8.991 6.756 -4.654 1.00 0.00 C ATOM 190 CD1 LEU A 13 8.852 6.546 -6.163 1.00 0.00 C ATOM 191 CD2 LEU A 13 8.992 8.240 -4.281 1.00 0.00 C ATOM 0 H LEU A 13 5.919 5.861 -2.353 1.00 0.00 H new ATOM 0 HA LEU A 13 6.489 7.223 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.989 6.243 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.095 4.930 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 13 9.958 6.349 -4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.638 7.096 -6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.940 5.484 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.878 6.909 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.776 8.754 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.025 8.678 -4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.176 8.346 -3.212 1.00 0.00 H new ATOM 202 N MET A 14 5.146 4.298 -4.766 1.00 0.00 N ATOM 203 CA MET A 14 4.555 3.247 -5.576 1.00 0.00 C ATOM 204 C MET A 14 3.347 3.769 -6.356 1.00 0.00 C ATOM 205 O MET A 14 3.307 3.676 -7.581 1.00 0.00 O ATOM 206 CB MET A 14 4.120 2.091 -4.673 1.00 0.00 C ATOM 207 CG MET A 14 4.012 0.786 -5.466 1.00 0.00 C ATOM 208 SD MET A 14 2.425 0.024 -5.175 1.00 0.00 S ATOM 209 CE MET A 14 1.431 0.915 -6.360 1.00 0.00 C ATOM 0 H MET A 14 4.921 4.248 -3.772 1.00 0.00 H new ATOM 0 HA MET A 14 5.302 2.901 -6.290 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.837 1.969 -3.861 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.158 2.324 -4.216 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.139 0.986 -6.530 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.811 0.105 -5.172 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.492 0.385 -6.518 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.224 1.916 -5.982 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.970 0.988 -7.305 1.00 0.00 H new ATOM 217 N ASP A 15 2.390 4.307 -5.613 1.00 0.00 N ATOM 218 CA ASP A 15 1.184 4.844 -6.219 1.00 0.00 C ATOM 219 C ASP A 15 1.559 5.644 -7.468 1.00 0.00 C ATOM 220 O ASP A 15 1.922 6.815 -7.373 1.00 0.00 O ATOM 221 CB ASP A 15 0.456 5.784 -5.257 1.00 0.00 C ATOM 222 CG ASP A 15 -0.694 6.580 -5.877 1.00 0.00 C ATOM 223 OD1 ASP A 15 -1.282 6.064 -6.852 1.00 0.00 O ATOM 224 OD2 ASP A 15 -0.960 7.688 -5.362 1.00 0.00 O ATOM 0 H ASP A 15 2.426 4.382 -4.596 1.00 0.00 H new ATOM 0 HA ASP A 15 0.531 4.008 -6.469 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.065 5.197 -4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.180 6.485 -4.840 1.00 0.00 H new ATOM 228 N VAL A 16 1.457 4.980 -8.610 1.00 0.00 N ATOM 229 CA VAL A 16 1.781 5.614 -9.876 1.00 0.00 C ATOM 230 C VAL A 16 0.513 5.730 -10.723 1.00 0.00 C ATOM 231 O VAL A 16 0.376 6.657 -11.519 1.00 0.00 O ATOM 232 CB VAL A 16 2.900 4.841 -10.578 1.00 0.00 C ATOM 233 CG1 VAL A 16 2.382 3.513 -11.136 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.543 5.685 -11.680 1.00 0.00 C ATOM 0 H VAL A 16 1.154 4.009 -8.685 1.00 0.00 H new ATOM 0 HA VAL A 16 2.156 6.624 -9.712 1.00 0.00 H new ATOM 0 HB VAL A 16 3.668 4.617 -9.837 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.197 2.983 -11.630 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.994 2.903 -10.321 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.586 3.706 -11.855 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.335 5.112 -12.162 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.788 5.954 -12.419 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.965 6.591 -11.245 1.00 0.00 H new ATOM 244 N ASP A 17 -0.384 4.775 -10.521 1.00 0.00 N ATOM 245 CA ASP A 17 -1.637 4.759 -11.256 1.00 0.00 C ATOM 246 C ASP A 17 -2.179 6.185 -11.364 1.00 0.00 C ATOM 247 O ASP A 17 -2.861 6.523 -12.331 1.00 0.00 O ATOM 248 CB ASP A 17 -2.686 3.908 -10.538 1.00 0.00 C ATOM 249 CG ASP A 17 -4.073 3.911 -11.182 1.00 0.00 C ATOM 250 OD1 ASP A 17 -4.807 4.896 -10.947 1.00 0.00 O ATOM 251 OD2 ASP A 17 -4.371 2.928 -11.896 1.00 0.00 O ATOM 0 H ASP A 17 -0.267 4.008 -9.859 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.443 4.337 -12.242 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.327 2.880 -10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.778 4.262 -9.511 1.00 0.00 H new ATOM 255 N GLY A 18 -1.857 6.984 -10.357 1.00 0.00 N ATOM 256 CA GLY A 18 -2.303 8.366 -10.326 1.00 0.00 C ATOM 257 C GLY A 18 -3.690 8.481 -9.690 1.00 0.00 C ATOM 258 O GLY A 18 -4.660 8.823 -10.364 1.00 0.00 O ATOM 0 H GLY A 18 -1.292 6.700 -9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.590 8.969 -9.764 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.330 8.766 -11.340 1.00 0.00 H new ATOM 262 N ASP A 19 -3.740 8.187 -8.399 1.00 0.00 N ATOM 263 CA ASP A 19 -4.991 8.253 -7.665 1.00 0.00 C ATOM 264 C ASP A 19 -4.737 8.859 -6.283 1.00 0.00 C ATOM 265 O ASP A 19 -5.467 9.746 -5.845 1.00 0.00 O ATOM 266 CB ASP A 19 -5.588 6.859 -7.466 1.00 0.00 C ATOM 267 CG ASP A 19 -6.067 6.172 -8.746 1.00 0.00 C ATOM 268 OD1 ASP A 19 -6.524 6.907 -9.648 1.00 0.00 O ATOM 269 OD2 ASP A 19 -5.966 4.927 -8.796 1.00 0.00 O ATOM 0 H ASP A 19 -2.934 7.902 -7.843 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.686 8.865 -8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.841 6.225 -6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.428 6.935 -6.776 1.00 0.00 H new ATOM 273 N GLY A 20 -3.696 8.356 -5.635 1.00 0.00 N ATOM 274 CA GLY A 20 -3.335 8.836 -4.312 1.00 0.00 C ATOM 275 C GLY A 20 -3.492 7.731 -3.265 1.00 0.00 C ATOM 276 O GLY A 20 -2.795 7.728 -2.251 1.00 0.00 O ATOM 0 H GLY A 20 -3.091 7.621 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.305 9.191 -4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.963 9.686 -4.046 1.00 0.00 H new ATOM 280 N LYS A 21 -4.409 6.818 -3.548 1.00 0.00 N ATOM 281 CA LYS A 21 -4.665 5.710 -2.644 1.00 0.00 C ATOM 282 C LYS A 21 -3.889 4.479 -3.119 1.00 0.00 C ATOM 283 O LYS A 21 -3.603 4.343 -4.307 1.00 0.00 O ATOM 284 CB LYS A 21 -6.170 5.471 -2.503 1.00 0.00 C ATOM 285 CG LYS A 21 -6.956 6.760 -2.754 1.00 0.00 C ATOM 286 CD LYS A 21 -7.466 6.819 -4.196 1.00 0.00 C ATOM 287 CE LYS A 21 -7.634 8.267 -4.658 1.00 0.00 C ATOM 288 NZ LYS A 21 -9.054 8.676 -4.572 1.00 0.00 N ATOM 0 H LYS A 21 -4.984 6.823 -4.391 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.307 5.946 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.488 4.704 -3.209 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.390 5.095 -1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.798 6.817 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.321 7.623 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.768 6.302 -4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.420 6.297 -4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.022 8.925 -4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.281 8.371 -5.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.151 9.662 -4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.630 8.059 -5.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.379 8.595 -3.588 1.00 0.00 H new ATOM 298 N LEU A 22 -3.571 3.616 -2.166 1.00 0.00 N ATOM 299 CA LEU A 22 -2.834 2.401 -2.472 1.00 0.00 C ATOM 300 C LEU A 22 -3.819 1.247 -2.666 1.00 0.00 C ATOM 301 O LEU A 22 -4.192 0.578 -1.704 1.00 0.00 O ATOM 302 CB LEU A 22 -1.775 2.134 -1.401 1.00 0.00 C ATOM 303 CG LEU A 22 -0.505 1.427 -1.876 1.00 0.00 C ATOM 304 CD1 LEU A 22 0.000 2.028 -3.189 1.00 0.00 C ATOM 305 CD2 LEU A 22 0.571 1.440 -0.788 1.00 0.00 C ATOM 0 H LEU A 22 -3.810 3.733 -1.181 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.286 2.512 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.491 3.087 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.228 1.534 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.750 0.383 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.904 1.507 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.767 1.921 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.223 3.085 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.463 0.931 -1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.820 2.471 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.198 0.928 0.099 1.00 0.00 H new ATOM 316 N THR A 23 -4.212 1.050 -3.917 1.00 0.00 N ATOM 317 CA THR A 23 -5.146 -0.012 -4.248 1.00 0.00 C ATOM 318 C THR A 23 -4.391 -1.291 -4.616 1.00 0.00 C ATOM 319 O THR A 23 -3.202 -1.247 -4.925 1.00 0.00 O ATOM 320 CB THR A 23 -6.062 0.496 -5.363 1.00 0.00 C ATOM 321 OG1 THR A 23 -5.411 0.084 -6.562 1.00 0.00 O ATOM 322 CG2 THR A 23 -6.082 2.023 -5.455 1.00 0.00 C ATOM 0 H THR A 23 -3.900 1.608 -4.712 1.00 0.00 H new ATOM 0 HA THR A 23 -5.767 -0.275 -3.392 1.00 0.00 H new ATOM 0 HB THR A 23 -7.075 0.130 -5.195 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.939 0.371 -7.336 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.747 2.330 -6.262 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.438 2.440 -4.513 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.075 2.389 -5.656 1.00 0.00 H new ATOM 330 N LYS A 24 -5.114 -2.400 -4.572 1.00 0.00 N ATOM 331 CA LYS A 24 -4.527 -3.689 -4.898 1.00 0.00 C ATOM 332 C LYS A 24 -4.063 -3.679 -6.355 1.00 0.00 C ATOM 333 O LYS A 24 -2.871 -3.810 -6.631 1.00 0.00 O ATOM 334 CB LYS A 24 -5.505 -4.821 -4.571 1.00 0.00 C ATOM 335 CG LYS A 24 -4.768 -6.150 -4.400 1.00 0.00 C ATOM 336 CD LYS A 24 -5.644 -7.324 -4.841 1.00 0.00 C ATOM 337 CE LYS A 24 -6.713 -7.635 -3.792 1.00 0.00 C ATOM 338 NZ LYS A 24 -7.941 -6.850 -4.054 1.00 0.00 N ATOM 0 H LYS A 24 -6.101 -2.433 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.645 -3.873 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.050 -4.583 -3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.243 -4.910 -5.368 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.849 -6.138 -4.985 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.480 -6.278 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.121 -7.089 -5.793 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.023 -8.205 -5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.945 -8.700 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.332 -7.404 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.748 -7.297 -3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.817 -5.882 -3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.122 -6.820 -5.078 1.00 0.00 H new ATOM 348 N GLU A 25 -5.028 -3.524 -7.249 1.00 0.00 N ATOM 349 CA GLU A 25 -4.732 -3.495 -8.672 1.00 0.00 C ATOM 350 C GLU A 25 -3.437 -2.724 -8.930 1.00 0.00 C ATOM 351 O GLU A 25 -2.520 -3.239 -9.569 1.00 0.00 O ATOM 352 CB GLU A 25 -5.896 -2.893 -9.462 1.00 0.00 C ATOM 353 CG GLU A 25 -5.931 -3.441 -10.890 1.00 0.00 C ATOM 354 CD GLU A 25 -6.550 -2.424 -11.852 1.00 0.00 C ATOM 355 OE1 GLU A 25 -7.783 -2.240 -11.765 1.00 0.00 O ATOM 356 OE2 GLU A 25 -5.776 -1.856 -12.652 1.00 0.00 O ATOM 0 H GLU A 25 -6.015 -3.417 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.595 -4.520 -9.015 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.836 -3.118 -8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.800 -1.808 -9.487 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.920 -3.685 -11.215 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.506 -4.367 -10.914 1.00 0.00 H new ATOM 361 N GLU A 26 -3.401 -1.502 -8.420 1.00 0.00 N ATOM 362 CA GLU A 26 -2.233 -0.654 -8.586 1.00 0.00 C ATOM 363 C GLU A 26 -1.026 -1.269 -7.876 1.00 0.00 C ATOM 364 O GLU A 26 0.103 -1.155 -8.351 1.00 0.00 O ATOM 365 CB GLU A 26 -2.506 0.763 -8.078 1.00 0.00 C ATOM 366 CG GLU A 26 -1.300 1.673 -8.316 1.00 0.00 C ATOM 367 CD GLU A 26 -1.559 3.080 -7.772 1.00 0.00 C ATOM 368 OE1 GLU A 26 -2.502 3.211 -6.962 1.00 0.00 O ATOM 369 OE2 GLU A 26 -0.808 3.993 -8.178 1.00 0.00 O ATOM 0 H GLU A 26 -4.163 -1.078 -7.891 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.007 -0.584 -9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.380 1.172 -8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.739 0.733 -7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.419 1.249 -7.834 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.085 1.726 -9.383 1.00 0.00 H new ATOM 374 N VAL A 27 -1.305 -1.906 -6.749 1.00 0.00 N ATOM 375 CA VAL A 27 -0.255 -2.539 -5.968 1.00 0.00 C ATOM 376 C VAL A 27 0.313 -3.725 -6.751 1.00 0.00 C ATOM 377 O VAL A 27 1.451 -3.679 -7.215 1.00 0.00 O ATOM 378 CB VAL A 27 -0.793 -2.935 -4.592 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.289 -4.320 -4.183 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.429 -1.886 -3.538 1.00 0.00 C ATOM 0 H VAL A 27 -2.242 -1.998 -6.358 1.00 0.00 H new ATOM 0 HA VAL A 27 0.564 -1.842 -5.794 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.880 -2.981 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.687 -4.577 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.621 -5.058 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.800 -4.314 -4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.823 -2.192 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.655 -1.794 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.859 -0.924 -3.818 1.00 0.00 H new ATOM 390 N THR A 28 -0.506 -4.759 -6.873 1.00 0.00 N ATOM 391 CA THR A 28 -0.100 -5.955 -7.592 1.00 0.00 C ATOM 392 C THR A 28 0.580 -5.580 -8.910 1.00 0.00 C ATOM 393 O THR A 28 1.507 -6.257 -9.350 1.00 0.00 O ATOM 394 CB THR A 28 -1.335 -6.839 -7.774 1.00 0.00 C ATOM 395 OG1 THR A 28 -0.920 -7.824 -8.717 1.00 0.00 O ATOM 396 CG2 THR A 28 -2.480 -6.109 -8.479 1.00 0.00 C ATOM 0 H THR A 28 -1.449 -4.794 -6.486 1.00 0.00 H new ATOM 0 HA THR A 28 0.643 -6.522 -7.030 1.00 0.00 H new ATOM 0 HB THR A 28 -1.675 -7.192 -6.800 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.638 -8.478 -8.844 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.331 -6.782 -8.583 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.774 -5.240 -7.891 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.152 -5.785 -9.466 1.00 0.00 H new ATOM 404 N SER A 29 0.091 -4.501 -9.504 1.00 0.00 N ATOM 405 CA SER A 29 0.639 -4.027 -10.764 1.00 0.00 C ATOM 406 C SER A 29 2.105 -3.629 -10.580 1.00 0.00 C ATOM 407 O SER A 29 2.971 -4.073 -11.332 1.00 0.00 O ATOM 408 CB SER A 29 -0.167 -2.845 -11.305 1.00 0.00 C ATOM 409 OG SER A 29 0.395 -2.320 -12.505 1.00 0.00 O ATOM 0 H SER A 29 -0.679 -3.942 -9.136 1.00 0.00 H new ATOM 0 HA SER A 29 0.577 -4.837 -11.490 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.193 -3.162 -11.493 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.209 -2.059 -10.551 1.00 0.00 H new ATOM 0 HG SER A 29 -0.149 -1.568 -12.819 1.00 0.00 H new ATOM 414 N PHE A 30 2.338 -2.796 -9.576 1.00 0.00 N ATOM 415 CA PHE A 30 3.684 -2.334 -9.284 1.00 0.00 C ATOM 416 C PHE A 30 4.463 -3.381 -8.486 1.00 0.00 C ATOM 417 O PHE A 30 5.679 -3.502 -8.633 1.00 0.00 O ATOM 418 CB PHE A 30 3.547 -1.066 -8.439 1.00 0.00 C ATOM 419 CG PHE A 30 4.642 -0.027 -8.694 1.00 0.00 C ATOM 420 CD1 PHE A 30 5.902 -0.238 -8.230 1.00 0.00 C ATOM 421 CD2 PHE A 30 4.353 1.108 -9.386 1.00 0.00 C ATOM 422 CE1 PHE A 30 6.917 0.726 -8.467 1.00 0.00 C ATOM 423 CE2 PHE A 30 5.369 2.072 -9.624 1.00 0.00 C ATOM 424 CZ PHE A 30 6.629 1.861 -9.159 1.00 0.00 C ATOM 0 H PHE A 30 1.617 -2.429 -8.955 1.00 0.00 H new ATOM 0 HA PHE A 30 4.223 -2.149 -10.213 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.576 -0.612 -8.638 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.560 -1.341 -7.384 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.131 -1.139 -7.681 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.352 1.276 -9.754 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.918 0.558 -8.098 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.140 2.973 -10.174 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.401 2.594 -9.339 1.00 0.00 H new ATOM 433 N PHE A 31 3.731 -4.115 -7.660 1.00 0.00 N ATOM 434 CA PHE A 31 4.338 -5.149 -6.839 1.00 0.00 C ATOM 435 C PHE A 31 4.636 -6.401 -7.667 1.00 0.00 C ATOM 436 O PHE A 31 5.488 -7.206 -7.296 1.00 0.00 O ATOM 437 CB PHE A 31 3.329 -5.503 -5.746 1.00 0.00 C ATOM 438 CG PHE A 31 3.449 -4.644 -4.486 1.00 0.00 C ATOM 439 CD1 PHE A 31 2.831 -3.434 -4.425 1.00 0.00 C ATOM 440 CD2 PHE A 31 4.174 -5.091 -3.425 1.00 0.00 C ATOM 441 CE1 PHE A 31 2.944 -2.637 -3.255 1.00 0.00 C ATOM 442 CE2 PHE A 31 4.286 -4.295 -2.255 1.00 0.00 C ATOM 443 CZ PHE A 31 3.668 -3.084 -2.195 1.00 0.00 C ATOM 0 H PHE A 31 2.723 -4.014 -7.542 1.00 0.00 H new ATOM 0 HA PHE A 31 5.279 -4.789 -6.422 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.321 -5.400 -6.149 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.457 -6.550 -5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.254 -3.079 -5.266 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.665 -6.052 -3.473 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.455 -1.675 -3.207 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.861 -4.650 -1.413 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.753 -2.478 -1.305 1.00 0.00 H new ATOM 452 N LYS A 32 3.918 -6.525 -8.773 1.00 0.00 N ATOM 453 CA LYS A 32 4.095 -7.665 -9.656 1.00 0.00 C ATOM 454 C LYS A 32 5.576 -7.802 -10.014 1.00 0.00 C ATOM 455 O LYS A 32 6.081 -8.914 -10.166 1.00 0.00 O ATOM 456 CB LYS A 32 3.176 -7.547 -10.874 1.00 0.00 C ATOM 457 CG LYS A 32 1.926 -8.411 -10.703 1.00 0.00 C ATOM 458 CD LYS A 32 0.769 -7.875 -11.550 1.00 0.00 C ATOM 459 CE LYS A 32 0.056 -9.012 -12.286 1.00 0.00 C ATOM 460 NZ LYS A 32 -1.079 -9.518 -11.482 1.00 0.00 N ATOM 0 H LYS A 32 3.212 -5.855 -9.078 1.00 0.00 H new ATOM 0 HA LYS A 32 3.802 -8.586 -9.152 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.886 -6.506 -11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.714 -7.853 -11.771 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.147 -9.438 -10.992 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.634 -8.431 -9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.059 -7.349 -10.912 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.147 -7.150 -12.271 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.304 -8.658 -13.252 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.758 -9.822 -12.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.184 -10.541 -11.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.899 -9.336 -10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.953 -9.033 -11.771 1.00 0.00 H new ATOM 470 N LYS A 33 6.231 -6.657 -10.140 1.00 0.00 N ATOM 471 CA LYS A 33 7.644 -6.635 -10.476 1.00 0.00 C ATOM 472 C LYS A 33 8.453 -7.179 -9.297 1.00 0.00 C ATOM 473 O LYS A 33 9.516 -7.769 -9.489 1.00 0.00 O ATOM 474 CB LYS A 33 8.068 -5.234 -10.919 1.00 0.00 C ATOM 475 CG LYS A 33 9.415 -5.272 -11.643 1.00 0.00 C ATOM 476 CD LYS A 33 9.471 -4.220 -12.752 1.00 0.00 C ATOM 477 CE LYS A 33 10.424 -4.651 -13.870 1.00 0.00 C ATOM 478 NZ LYS A 33 11.780 -4.893 -13.329 1.00 0.00 N ATOM 0 H LYS A 33 5.808 -5.737 -10.015 1.00 0.00 H new ATOM 0 HA LYS A 33 7.843 -7.286 -11.327 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.309 -4.812 -11.578 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.136 -4.579 -10.050 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.220 -5.097 -10.930 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.576 -6.263 -12.068 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.473 -4.064 -13.161 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.799 -3.267 -12.337 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.049 -5.557 -14.347 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.465 -3.880 -14.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.461 -4.950 -14.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.046 -4.112 -12.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.787 -5.787 -12.798 1.00 0.00 H new ATOM 488 N HIS A 34 7.920 -6.961 -8.105 1.00 0.00 N ATOM 489 CA HIS A 34 8.580 -7.421 -6.894 1.00 0.00 C ATOM 490 C HIS A 34 8.033 -8.796 -6.503 1.00 0.00 C ATOM 491 O HIS A 34 7.860 -9.666 -7.355 1.00 0.00 O ATOM 492 CB HIS A 34 8.445 -6.388 -5.774 1.00 0.00 C ATOM 493 CG HIS A 34 8.863 -4.993 -6.173 1.00 0.00 C ATOM 494 ND1 HIS A 34 10.032 -4.729 -6.864 1.00 0.00 N ATOM 495 CD2 HIS A 34 8.255 -3.789 -5.970 1.00 0.00 C ATOM 496 CE1 HIS A 34 10.115 -3.421 -7.063 1.00 0.00 C ATOM 497 NE2 HIS A 34 9.013 -2.841 -6.508 1.00 0.00 N ATOM 0 H HIS A 34 7.038 -6.472 -7.951 1.00 0.00 H new ATOM 0 HA HIS A 34 9.649 -7.532 -7.078 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.408 -6.364 -5.439 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.048 -6.708 -4.924 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.317 -3.633 -5.459 1.00 0.00 H new ATOM 0 HE1 HIS A 34 10.915 -2.906 -7.575 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.805 -1.842 -6.506 1.00 0.00 H new ATOM 504 N GLY A 35 7.774 -8.948 -5.212 1.00 0.00 N ATOM 505 CA GLY A 35 7.250 -10.201 -4.697 1.00 0.00 C ATOM 506 C GLY A 35 5.799 -10.042 -4.241 1.00 0.00 C ATOM 507 O GLY A 35 5.436 -10.478 -3.148 1.00 0.00 O ATOM 0 H GLY A 35 7.917 -8.224 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.311 -10.969 -5.468 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.863 -10.539 -3.861 1.00 0.00 H new ATOM 511 N ILE A 36 5.008 -9.417 -5.099 1.00 0.00 N ATOM 512 CA ILE A 36 3.603 -9.195 -4.798 1.00 0.00 C ATOM 513 C ILE A 36 3.089 -10.332 -3.912 1.00 0.00 C ATOM 514 O ILE A 36 2.350 -10.095 -2.959 1.00 0.00 O ATOM 515 CB ILE A 36 2.801 -9.010 -6.088 1.00 0.00 C ATOM 516 CG1 ILE A 36 1.330 -8.723 -5.782 1.00 0.00 C ATOM 517 CG2 ILE A 36 2.971 -10.213 -7.017 1.00 0.00 C ATOM 518 CD1 ILE A 36 0.644 -9.956 -5.189 1.00 0.00 C ATOM 0 H ILE A 36 5.312 -9.057 -6.003 1.00 0.00 H new ATOM 0 HA ILE A 36 3.476 -8.270 -4.236 1.00 0.00 H new ATOM 0 HB ILE A 36 3.195 -8.141 -6.614 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.256 -7.890 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.817 -8.420 -6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.391 -10.056 -7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.024 -10.328 -7.274 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.620 -11.114 -6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.401 -9.726 -4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.699 -10.780 -5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.145 -10.241 -4.264 1.00 0.00 H new ATOM 529 N GLU A 37 3.503 -11.542 -4.260 1.00 0.00 N ATOM 530 CA GLU A 37 3.094 -12.717 -3.508 1.00 0.00 C ATOM 531 C GLU A 37 2.937 -12.370 -2.027 1.00 0.00 C ATOM 532 O GLU A 37 1.821 -12.335 -1.508 1.00 0.00 O ATOM 533 CB GLU A 37 4.088 -13.864 -3.701 1.00 0.00 C ATOM 534 CG GLU A 37 4.053 -14.385 -5.138 1.00 0.00 C ATOM 535 CD GLU A 37 4.317 -15.891 -5.183 1.00 0.00 C ATOM 536 OE1 GLU A 37 5.124 -16.350 -4.346 1.00 0.00 O ATOM 537 OE2 GLU A 37 3.706 -16.549 -6.053 1.00 0.00 O ATOM 0 H GLU A 37 4.117 -11.734 -5.052 1.00 0.00 H new ATOM 0 HA GLU A 37 2.128 -13.050 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.094 -13.522 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.852 -14.674 -3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.082 -14.169 -5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.800 -13.863 -5.736 1.00 0.00 H new ATOM 542 N LYS A 38 4.069 -12.121 -1.386 1.00 0.00 N ATOM 543 CA LYS A 38 4.071 -11.779 0.026 1.00 0.00 C ATOM 544 C LYS A 38 2.979 -10.742 0.297 1.00 0.00 C ATOM 545 O LYS A 38 2.112 -10.954 1.142 1.00 0.00 O ATOM 546 CB LYS A 38 5.466 -11.333 0.468 1.00 0.00 C ATOM 547 CG LYS A 38 5.594 -11.362 1.992 1.00 0.00 C ATOM 548 CD LYS A 38 5.872 -12.781 2.493 1.00 0.00 C ATOM 549 CE LYS A 38 5.011 -13.109 3.715 1.00 0.00 C ATOM 550 NZ LYS A 38 5.171 -14.530 4.095 1.00 0.00 N ATOM 0 H LYS A 38 4.992 -12.149 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 38 3.836 -12.655 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.218 -11.985 0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.662 -10.325 0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.399 -10.698 2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.676 -10.986 2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.669 -13.498 1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.927 -12.880 2.750 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.295 -12.469 4.550 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.964 -12.901 3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.580 -14.736 4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.878 -15.136 3.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.168 -14.718 4.324 1.00 0.00 H new ATOM 560 N VAL A 39 3.058 -9.642 -0.438 1.00 0.00 N ATOM 561 CA VAL A 39 2.088 -8.571 -0.289 1.00 0.00 C ATOM 562 C VAL A 39 0.682 -9.124 -0.533 1.00 0.00 C ATOM 563 O VAL A 39 -0.292 -8.624 0.029 1.00 0.00 O ATOM 564 CB VAL A 39 2.443 -7.409 -1.219 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.282 -6.419 -1.327 1.00 0.00 C ATOM 566 CG2 VAL A 39 3.722 -6.708 -0.759 1.00 0.00 C ATOM 0 H VAL A 39 3.779 -9.470 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 39 2.110 -8.175 0.726 1.00 0.00 H new ATOM 0 HB VAL A 39 2.626 -7.819 -2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.561 -5.603 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.405 -6.929 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.052 -6.018 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.951 -5.886 -1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.581 -6.317 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.547 -7.420 -0.760 1.00 0.00 H new ATOM 576 N ALA A 40 0.622 -10.149 -1.370 1.00 0.00 N ATOM 577 CA ALA A 40 -0.648 -10.776 -1.695 1.00 0.00 C ATOM 578 C ALA A 40 -1.299 -11.296 -0.411 1.00 0.00 C ATOM 579 O ALA A 40 -2.476 -11.045 -0.162 1.00 0.00 O ATOM 580 CB ALA A 40 -0.423 -11.884 -2.725 1.00 0.00 C ATOM 0 H ALA A 40 1.432 -10.561 -1.833 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.330 -10.052 -2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.376 -12.354 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.012 -11.458 -3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.255 -12.631 -2.313 1.00 0.00 H new ATOM 586 N GLU A 41 -0.502 -12.011 0.369 1.00 0.00 N ATOM 587 CA GLU A 41 -0.985 -12.569 1.621 1.00 0.00 C ATOM 588 C GLU A 41 -1.175 -11.461 2.659 1.00 0.00 C ATOM 589 O GLU A 41 -2.221 -11.378 3.300 1.00 0.00 O ATOM 590 CB GLU A 41 -0.036 -13.651 2.142 1.00 0.00 C ATOM 591 CG GLU A 41 -0.659 -14.407 3.317 1.00 0.00 C ATOM 592 CD GLU A 41 0.001 -14.006 4.638 1.00 0.00 C ATOM 593 OE1 GLU A 41 0.313 -12.803 4.775 1.00 0.00 O ATOM 594 OE2 GLU A 41 0.179 -14.911 5.481 1.00 0.00 O ATOM 0 H GLU A 41 0.475 -12.217 0.159 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.952 -13.037 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.200 -14.350 1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.904 -13.196 2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.728 -14.199 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.550 -15.480 3.163 1.00 0.00 H new ATOM 599 N GLN A 42 -0.147 -10.635 2.791 1.00 0.00 N ATOM 600 CA GLN A 42 -0.188 -9.535 3.739 1.00 0.00 C ATOM 601 C GLN A 42 -1.368 -8.611 3.430 1.00 0.00 C ATOM 602 O GLN A 42 -2.197 -8.347 4.299 1.00 0.00 O ATOM 603 CB GLN A 42 1.131 -8.759 3.735 1.00 0.00 C ATOM 604 CG GLN A 42 1.767 -8.752 5.126 1.00 0.00 C ATOM 605 CD GLN A 42 3.294 -8.764 5.031 1.00 0.00 C ATOM 606 OE1 GLN A 42 3.970 -7.809 5.374 1.00 0.00 O ATOM 607 NE2 GLN A 42 3.797 -9.896 4.546 1.00 0.00 N ATOM 0 H GLN A 42 0.719 -10.706 2.257 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.327 -9.947 4.738 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.819 -9.208 3.019 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.953 -7.735 3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.440 -7.869 5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.427 -9.621 5.689 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.174 -10.657 4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.806 -10.003 4.443 1.00 0.00 H new ATOM 614 N VAL A 43 -1.407 -8.147 2.190 1.00 0.00 N ATOM 615 CA VAL A 43 -2.472 -7.259 1.756 1.00 0.00 C ATOM 616 C VAL A 43 -3.813 -7.986 1.870 1.00 0.00 C ATOM 617 O VAL A 43 -4.825 -7.377 2.216 1.00 0.00 O ATOM 618 CB VAL A 43 -2.186 -6.751 0.341 1.00 0.00 C ATOM 619 CG1 VAL A 43 -2.622 -7.775 -0.708 1.00 0.00 C ATOM 620 CG2 VAL A 43 -2.857 -5.397 0.099 1.00 0.00 C ATOM 0 H VAL A 43 -0.718 -8.369 1.472 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.522 -6.380 2.398 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.109 -6.613 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.408 -7.389 -1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.078 -8.707 -0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.692 -7.960 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.638 -5.058 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.935 -5.498 0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.476 -4.669 0.815 1.00 0.00 H new ATOM 630 N MET A 44 -3.779 -9.276 1.574 1.00 0.00 N ATOM 631 CA MET A 44 -4.979 -10.092 1.638 1.00 0.00 C ATOM 632 C MET A 44 -5.658 -9.962 3.003 1.00 0.00 C ATOM 633 O MET A 44 -6.862 -9.723 3.082 1.00 0.00 O ATOM 634 CB MET A 44 -4.616 -11.557 1.387 1.00 0.00 C ATOM 635 CG MET A 44 -4.909 -11.953 -0.062 1.00 0.00 C ATOM 636 SD MET A 44 -4.053 -13.467 -0.465 1.00 0.00 S ATOM 637 CE MET A 44 -5.033 -14.016 -1.853 1.00 0.00 C ATOM 0 H MET A 44 -2.938 -9.777 1.289 1.00 0.00 H new ATOM 0 HA MET A 44 -5.673 -9.744 0.872 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.560 -11.716 1.605 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.182 -12.197 2.064 1.00 0.00 H new ATOM 0 HG2 MET A 44 -5.982 -12.084 -0.202 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.594 -11.157 -0.736 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.633 -14.957 -2.231 1.00 0.00 H new ATOM 0 HE2 MET A 44 -6.065 -14.162 -1.535 1.00 0.00 H new ATOM 0 HE3 MET A 44 -4.999 -13.265 -2.642 1.00 0.00 H new ATOM 645 N LYS A 45 -4.855 -10.122 4.045 1.00 0.00 N ATOM 646 CA LYS A 45 -5.363 -10.025 5.403 1.00 0.00 C ATOM 647 C LYS A 45 -5.484 -8.551 5.793 1.00 0.00 C ATOM 648 O LYS A 45 -6.210 -8.210 6.726 1.00 0.00 O ATOM 649 CB LYS A 45 -4.495 -10.846 6.359 1.00 0.00 C ATOM 650 CG LYS A 45 -4.567 -12.336 6.024 1.00 0.00 C ATOM 651 CD LYS A 45 -5.864 -12.954 6.552 1.00 0.00 C ATOM 652 CE LYS A 45 -6.432 -13.969 5.557 1.00 0.00 C ATOM 653 NZ LYS A 45 -7.440 -13.328 4.683 1.00 0.00 N ATOM 0 H LYS A 45 -3.856 -10.318 3.976 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.362 -10.455 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.461 -10.506 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.825 -10.684 7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.508 -12.473 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.711 -12.852 6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.676 -13.443 7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.597 -12.169 6.735 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.626 -14.383 4.951 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.885 -14.801 6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.816 -14.030 4.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.217 -12.954 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.997 -12.549 4.155 1.00 0.00 H new ATOM 663 N ALA A 46 -4.762 -7.716 5.061 1.00 0.00 N ATOM 664 CA ALA A 46 -4.780 -6.287 5.318 1.00 0.00 C ATOM 665 C ALA A 46 -6.138 -5.715 4.908 1.00 0.00 C ATOM 666 O ALA A 46 -6.828 -5.101 5.719 1.00 0.00 O ATOM 667 CB ALA A 46 -3.618 -5.619 4.578 1.00 0.00 C ATOM 0 H ALA A 46 -4.160 -8.003 4.289 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.647 -6.088 6.381 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.632 -4.546 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.675 -6.038 4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.719 -5.796 3.507 1.00 0.00 H new ATOM 673 N ASP A 47 -6.481 -5.938 3.647 1.00 0.00 N ATOM 674 CA ASP A 47 -7.744 -5.453 3.118 1.00 0.00 C ATOM 675 C ASP A 47 -8.855 -6.444 3.473 1.00 0.00 C ATOM 676 O ASP A 47 -9.547 -6.947 2.590 1.00 0.00 O ATOM 677 CB ASP A 47 -7.692 -5.326 1.595 1.00 0.00 C ATOM 678 CG ASP A 47 -8.726 -4.377 0.989 1.00 0.00 C ATOM 679 OD1 ASP A 47 -9.876 -4.403 1.477 1.00 0.00 O ATOM 680 OD2 ASP A 47 -8.345 -3.645 0.050 1.00 0.00 O ATOM 0 H ASP A 47 -5.906 -6.448 2.977 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.938 -4.473 3.554 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.697 -4.986 1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.829 -6.315 1.158 1.00 0.00 H new ATOM 684 N ALA A 48 -8.989 -6.695 4.767 1.00 0.00 N ATOM 685 CA ALA A 48 -10.004 -7.618 5.248 1.00 0.00 C ATOM 686 C ALA A 48 -11.116 -6.828 5.942 1.00 0.00 C ATOM 687 O ALA A 48 -11.165 -6.765 7.170 1.00 0.00 O ATOM 688 CB ALA A 48 -9.356 -8.650 6.175 1.00 0.00 C ATOM 0 H ALA A 48 -8.413 -6.276 5.497 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.454 -8.162 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.116 -9.343 6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.593 -9.203 5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.897 -8.141 7.022 1.00 0.00 H new ATOM 694 N ASN A 49 -11.982 -6.246 5.126 1.00 0.00 N ATOM 695 CA ASN A 49 -13.091 -5.464 5.646 1.00 0.00 C ATOM 696 C ASN A 49 -14.063 -5.146 4.507 1.00 0.00 C ATOM 697 O ASN A 49 -15.277 -5.219 4.685 1.00 0.00 O ATOM 698 CB ASN A 49 -12.602 -4.140 6.235 1.00 0.00 C ATOM 699 CG ASN A 49 -13.570 -3.624 7.302 1.00 0.00 C ATOM 700 OD1 ASN A 49 -14.028 -4.354 8.165 1.00 0.00 O ATOM 701 ND2 ASN A 49 -13.853 -2.329 7.196 1.00 0.00 N ATOM 0 H ASN A 49 -11.938 -6.300 4.108 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.579 -6.047 6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.612 -4.275 6.672 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.502 -3.400 5.441 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -14.489 -1.890 7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -13.434 -1.775 6.449 1.00 0.00 H new ATOM 707 N GLY A 50 -13.491 -4.799 3.364 1.00 0.00 N ATOM 708 CA GLY A 50 -14.290 -4.469 2.196 1.00 0.00 C ATOM 709 C GLY A 50 -13.507 -4.718 0.906 1.00 0.00 C ATOM 710 O GLY A 50 -13.623 -5.783 0.301 1.00 0.00 O ATOM 0 H GLY A 50 -12.483 -4.739 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.201 -5.068 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.596 -3.424 2.244 1.00 0.00 H new ATOM 714 N ASP A 51 -12.726 -3.718 0.522 1.00 0.00 N ATOM 715 CA ASP A 51 -11.925 -3.816 -0.685 1.00 0.00 C ATOM 716 C ASP A 51 -11.628 -2.410 -1.210 1.00 0.00 C ATOM 717 O ASP A 51 -12.119 -2.023 -2.270 1.00 0.00 O ATOM 718 CB ASP A 51 -12.668 -4.583 -1.780 1.00 0.00 C ATOM 719 CG ASP A 51 -14.172 -4.308 -1.854 1.00 0.00 C ATOM 720 OD1 ASP A 51 -14.588 -3.271 -1.295 1.00 0.00 O ATOM 721 OD2 ASP A 51 -14.871 -5.143 -2.468 1.00 0.00 O ATOM 0 H ASP A 51 -12.632 -2.836 1.026 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.005 -4.345 -0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.221 -4.337 -2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.516 -5.651 -1.622 1.00 0.00 H new ATOM 725 N GLY A 52 -10.828 -1.682 -0.444 1.00 0.00 N ATOM 726 CA GLY A 52 -10.461 -0.327 -0.819 1.00 0.00 C ATOM 727 C GLY A 52 -8.956 -0.218 -1.070 1.00 0.00 C ATOM 728 O GLY A 52 -8.325 -1.175 -1.515 1.00 0.00 O ATOM 0 H GLY A 52 -10.424 -2.005 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.005 -0.034 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.753 0.365 -0.029 1.00 0.00 H new ATOM 732 N TYR A 53 -8.424 0.960 -0.775 1.00 0.00 N ATOM 733 CA TYR A 53 -7.005 1.208 -0.964 1.00 0.00 C ATOM 734 C TYR A 53 -6.380 1.805 0.298 1.00 0.00 C ATOM 735 O TYR A 53 -7.092 2.220 1.212 1.00 0.00 O ATOM 736 CB TYR A 53 -6.902 2.228 -2.100 1.00 0.00 C ATOM 737 CG TYR A 53 -8.053 3.235 -2.138 1.00 0.00 C ATOM 738 CD1 TYR A 53 -8.372 3.961 -1.008 1.00 0.00 C ATOM 739 CD2 TYR A 53 -8.772 3.418 -3.302 1.00 0.00 C ATOM 740 CE1 TYR A 53 -9.455 4.909 -1.043 1.00 0.00 C ATOM 741 CE2 TYR A 53 -9.855 4.366 -3.337 1.00 0.00 C ATOM 742 CZ TYR A 53 -10.143 5.066 -2.206 1.00 0.00 C ATOM 743 OH TYR A 53 -11.166 5.961 -2.239 1.00 0.00 O ATOM 0 H TYR A 53 -8.950 1.752 -0.407 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.480 0.279 -1.187 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.961 2.770 -2.003 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.867 1.696 -3.051 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.809 3.818 -0.098 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.522 2.850 -4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.715 5.483 -0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.426 4.518 -4.241 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.566 5.968 -3.134 1.00 0.00 H new ATOM 752 N ILE A 54 -5.055 1.830 0.310 1.00 0.00 N ATOM 753 CA ILE A 54 -4.326 2.369 1.444 1.00 0.00 C ATOM 754 C ILE A 54 -3.913 3.811 1.142 1.00 0.00 C ATOM 755 O ILE A 54 -2.963 4.044 0.396 1.00 0.00 O ATOM 756 CB ILE A 54 -3.153 1.457 1.810 1.00 0.00 C ATOM 757 CG1 ILE A 54 -3.453 0.662 3.082 1.00 0.00 C ATOM 758 CG2 ILE A 54 -1.854 2.256 1.928 1.00 0.00 C ATOM 759 CD1 ILE A 54 -4.244 -0.608 2.761 1.00 0.00 C ATOM 0 H ILE A 54 -4.467 1.485 -0.449 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.964 2.399 2.327 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.016 0.736 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.519 0.398 3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.019 1.282 3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.036 1.584 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.637 2.740 0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.962 3.014 2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.444 -1.155 3.683 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.188 -0.339 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.664 -1.236 2.085 1.00 0.00 H new ATOM 770 N THR A 55 -4.647 4.740 1.735 1.00 0.00 N ATOM 771 CA THR A 55 -4.370 6.152 1.538 1.00 0.00 C ATOM 772 C THR A 55 -3.473 6.682 2.660 1.00 0.00 C ATOM 773 O THR A 55 -3.666 6.342 3.826 1.00 0.00 O ATOM 774 CB THR A 55 -5.707 6.888 1.432 1.00 0.00 C ATOM 775 OG1 THR A 55 -6.205 6.895 2.767 1.00 0.00 O ATOM 776 CG2 THR A 55 -6.752 6.091 0.649 1.00 0.00 C ATOM 0 H THR A 55 -5.434 4.542 2.353 1.00 0.00 H new ATOM 0 HA THR A 55 -3.816 6.320 0.614 1.00 0.00 H new ATOM 0 HB THR A 55 -5.553 7.855 0.953 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.172 7.053 2.755 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.682 6.657 0.603 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.388 5.909 -0.362 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.932 5.138 1.147 1.00 0.00 H new ATOM 784 N LEU A 56 -2.510 7.503 2.267 1.00 0.00 N ATOM 785 CA LEU A 56 -1.583 8.082 3.224 1.00 0.00 C ATOM 786 C LEU A 56 -2.336 8.433 4.509 1.00 0.00 C ATOM 787 O LEU A 56 -1.857 8.163 5.609 1.00 0.00 O ATOM 788 CB LEU A 56 -0.841 9.267 2.603 1.00 0.00 C ATOM 789 CG LEU A 56 -1.693 10.231 1.775 1.00 0.00 C ATOM 790 CD1 LEU A 56 -1.547 11.667 2.282 1.00 0.00 C ATOM 791 CD2 LEU A 56 -1.360 10.114 0.286 1.00 0.00 C ATOM 0 H LEU A 56 -2.352 7.781 1.298 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.813 7.359 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.363 9.831 3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.045 8.879 1.968 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.740 9.952 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.163 12.331 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.870 11.720 3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.504 11.974 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.979 10.809 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.308 10.353 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.555 9.096 -0.052 1.00 0.00 H new ATOM 802 N GLU A 57 -3.505 9.030 4.327 1.00 0.00 N ATOM 803 CA GLU A 57 -4.330 9.422 5.458 1.00 0.00 C ATOM 804 C GLU A 57 -4.670 8.200 6.314 1.00 0.00 C ATOM 805 O GLU A 57 -4.534 8.237 7.536 1.00 0.00 O ATOM 806 CB GLU A 57 -5.601 10.133 4.990 1.00 0.00 C ATOM 807 CG GLU A 57 -6.397 9.255 4.022 1.00 0.00 C ATOM 808 CD GLU A 57 -7.629 9.994 3.497 1.00 0.00 C ATOM 809 OE1 GLU A 57 -7.442 11.119 2.985 1.00 0.00 O ATOM 810 OE2 GLU A 57 -8.732 9.417 3.621 1.00 0.00 O ATOM 0 H GLU A 57 -3.901 9.252 3.413 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.764 10.125 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.220 10.384 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.338 11.072 4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.762 8.961 3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.705 8.339 4.526 1.00 0.00 H new ATOM 815 N GLU A 58 -5.107 7.147 5.640 1.00 0.00 N ATOM 816 CA GLU A 58 -5.467 5.916 6.324 1.00 0.00 C ATOM 817 C GLU A 58 -4.209 5.165 6.762 1.00 0.00 C ATOM 818 O GLU A 58 -4.171 4.591 7.850 1.00 0.00 O ATOM 819 CB GLU A 58 -6.352 5.036 5.439 1.00 0.00 C ATOM 820 CG GLU A 58 -6.914 3.853 6.230 1.00 0.00 C ATOM 821 CD GLU A 58 -8.436 3.942 6.343 1.00 0.00 C ATOM 822 OE1 GLU A 58 -9.086 3.945 5.274 1.00 0.00 O ATOM 823 OE2 GLU A 58 -8.918 4.007 7.495 1.00 0.00 O ATOM 0 H GLU A 58 -5.220 7.120 4.627 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.041 6.172 7.214 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.172 5.629 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.774 4.669 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.636 2.919 5.741 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.472 3.835 7.226 1.00 0.00 H new ATOM 828 N PHE A 59 -3.209 5.191 5.892 1.00 0.00 N ATOM 829 CA PHE A 59 -1.953 4.519 6.176 1.00 0.00 C ATOM 830 C PHE A 59 -1.400 4.940 7.539 1.00 0.00 C ATOM 831 O PHE A 59 -0.899 4.110 8.294 1.00 0.00 O ATOM 832 CB PHE A 59 -0.964 4.939 5.086 1.00 0.00 C ATOM 833 CG PHE A 59 -0.034 3.817 4.623 1.00 0.00 C ATOM 834 CD1 PHE A 59 0.606 3.043 5.539 1.00 0.00 C ATOM 835 CD2 PHE A 59 0.152 3.592 3.294 1.00 0.00 C ATOM 836 CE1 PHE A 59 1.470 2.001 5.109 1.00 0.00 C ATOM 837 CE2 PHE A 59 1.016 2.550 2.864 1.00 0.00 C ATOM 838 CZ PHE A 59 1.656 1.777 3.781 1.00 0.00 C ATOM 0 H PHE A 59 -3.244 5.667 4.991 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.105 3.440 6.194 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.522 5.311 4.227 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.360 5.767 5.457 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.457 3.220 6.594 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.357 4.206 2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.979 1.387 5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.164 2.372 1.809 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.313 0.984 3.454 1.00 0.00 H new ATOM 847 N LEU A 60 -1.510 6.232 7.812 1.00 0.00 N ATOM 848 CA LEU A 60 -1.028 6.775 9.071 1.00 0.00 C ATOM 849 C LEU A 60 -2.062 6.506 10.166 1.00 0.00 C ATOM 850 O LEU A 60 -1.756 5.860 11.167 1.00 0.00 O ATOM 851 CB LEU A 60 -0.669 8.255 8.914 1.00 0.00 C ATOM 852 CG LEU A 60 0.125 8.877 10.064 1.00 0.00 C ATOM 853 CD1 LEU A 60 1.292 9.713 9.536 1.00 0.00 C ATOM 854 CD2 LEU A 60 -0.790 9.687 10.986 1.00 0.00 C ATOM 0 H LEU A 60 -1.926 6.919 7.183 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.106 6.278 9.373 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.094 8.374 7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.592 8.821 8.788 1.00 0.00 H new ATOM 0 HG LEU A 60 0.552 8.070 10.660 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.840 10.144 10.374 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.960 9.078 8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.909 10.514 8.903 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.201 10.119 11.795 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.265 10.486 10.417 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.556 9.034 11.403 1.00 0.00 H new ATOM 865 N GLU A 61 -3.263 7.016 9.939 1.00 0.00 N ATOM 866 CA GLU A 61 -4.344 6.838 10.895 1.00 0.00 C ATOM 867 C GLU A 61 -4.460 5.367 11.299 1.00 0.00 C ATOM 868 O GLU A 61 -4.821 5.057 12.433 1.00 0.00 O ATOM 869 CB GLU A 61 -5.667 7.357 10.329 1.00 0.00 C ATOM 870 CG GLU A 61 -5.887 8.824 10.703 1.00 0.00 C ATOM 871 CD GLU A 61 -6.492 8.948 12.103 1.00 0.00 C ATOM 872 OE1 GLU A 61 -7.656 8.519 12.258 1.00 0.00 O ATOM 873 OE2 GLU A 61 -5.778 9.470 12.986 1.00 0.00 O ATOM 0 H GLU A 61 -3.512 7.552 9.108 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.114 7.422 11.786 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.669 7.251 9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.491 6.754 10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.938 9.359 10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.548 9.294 9.974 1.00 0.00 H new ATOM 878 N PHE A 62 -4.146 4.499 10.348 1.00 0.00 N ATOM 879 CA PHE A 62 -4.209 3.068 10.591 1.00 0.00 C ATOM 880 C PHE A 62 -2.969 2.583 11.344 1.00 0.00 C ATOM 881 O PHE A 62 -3.057 1.684 12.177 1.00 0.00 O ATOM 882 CB PHE A 62 -4.260 2.385 9.223 1.00 0.00 C ATOM 883 CG PHE A 62 -4.388 0.861 9.292 1.00 0.00 C ATOM 884 CD1 PHE A 62 -5.544 0.295 9.732 1.00 0.00 C ATOM 885 CD2 PHE A 62 -3.346 0.073 8.914 1.00 0.00 C ATOM 886 CE1 PHE A 62 -5.662 -1.118 9.797 1.00 0.00 C ATOM 887 CE2 PHE A 62 -3.464 -1.341 8.980 1.00 0.00 C ATOM 888 CZ PHE A 62 -4.619 -1.906 9.419 1.00 0.00 C ATOM 0 H PHE A 62 -3.847 4.759 9.408 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.083 2.832 11.197 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.103 2.785 8.660 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.357 2.639 8.668 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.372 0.921 10.032 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.429 0.522 8.564 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.580 -1.568 10.146 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.636 -1.967 8.681 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.709 -2.981 9.468 1.00 0.00 H new ATOM 897 N SER A 63 -1.842 3.202 11.024 1.00 0.00 N ATOM 898 CA SER A 63 -0.586 2.845 11.660 1.00 0.00 C ATOM 899 C SER A 63 -0.587 3.309 13.117 1.00 0.00 C ATOM 900 O SER A 63 -0.188 2.563 14.011 1.00 0.00 O ATOM 901 CB SER A 63 0.603 3.451 10.911 1.00 0.00 C ATOM 902 OG SER A 63 1.839 2.864 11.306 1.00 0.00 O ATOM 0 H SER A 63 -1.773 3.949 10.332 1.00 0.00 H new ATOM 0 HA SER A 63 -0.484 1.760 11.631 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.463 3.314 9.839 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.637 4.525 11.094 1.00 0.00 H new ATOM 0 HG SER A 63 2.363 3.517 11.815 1.00 0.00 H new ATOM 907 N LEU A 64 -1.039 4.539 13.313 1.00 0.00 N ATOM 908 CA LEU A 64 -1.097 5.112 14.647 1.00 0.00 C ATOM 909 C LEU A 64 -2.347 4.597 15.365 1.00 0.00 C ATOM 910 O LEU A 64 -2.335 4.405 16.580 1.00 0.00 O ATOM 911 CB LEU A 64 -1.012 6.638 14.580 1.00 0.00 C ATOM 912 CG LEU A 64 -1.038 7.372 15.922 1.00 0.00 C ATOM 913 CD1 LEU A 64 -0.089 8.572 15.909 1.00 0.00 C ATOM 914 CD2 LEU A 64 -2.465 7.773 16.300 1.00 0.00 C ATOM 0 H LEU A 64 -1.369 5.155 12.570 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.236 4.794 15.235 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.094 6.908 14.059 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.842 7.002 13.974 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.681 6.688 16.692 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.127 9.076 16.875 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.928 8.230 15.718 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.391 9.266 15.125 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.455 8.293 17.258 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.873 8.432 15.534 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.085 6.880 16.378 1.00 0.00 H new