USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 590 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 27 SER OG : rot -130:sc= 0.823 USER MOD Set 1.2: A 29 SER OG : rot -38:sc= 0.609 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -0.0471 (180deg=-0.363) USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= -0.0455 (180deg=-0.636) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 23 ASN : amide:sc= -2.08! C(o=-2.1!,f=-9.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -2.36 K(o=-2.4,f=-1.8) USER MOD Single : A 35 MET CE :methyl -105:sc= -2.06 (180deg=-8.21!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 50 MET CE :methyl 157:sc= -1.22 (180deg=-2.81) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -3.07! C(o=-3.1!,f=-7.1!) USER MOD Single : A 63 ASN : amide:sc= -3.65! C(o=-3.6!,f=-19!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -133:sc= -0.161 (180deg=-1.68!) USER MOD Single : A 70 MET CE :methyl -141:sc= -0.208 (180deg=-1.67!) USER MOD Single : A 71 MET CE :methyl 173:sc= 0 (180deg=-0.024) USER MOD Single : A 72 MET CE :methyl 179:sc= -1.16 (180deg=-1.17) USER MOD Single : A 73 THR OG1 : rot 80:sc= 0.565 USER MOD Single : A 81 ASN : amide:sc= -0.0627 K(o=-0.063,f=-2.2!) USER MOD Single : A 84 SER OG : rot -103:sc= 0.238 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 13.462 -1.829 -2.541 1.00 0.00 N ATOM 108 CA GLU A 9 13.337 -0.914 -3.669 1.00 0.00 C ATOM 109 C GLU A 9 11.891 -0.852 -4.150 1.00 0.00 C ATOM 110 O GLU A 9 11.389 0.215 -4.502 1.00 0.00 O ATOM 111 CB GLU A 9 14.240 -1.372 -4.815 1.00 0.00 C ATOM 112 CG GLU A 9 15.703 -1.308 -4.370 1.00 0.00 C ATOM 113 CD GLU A 9 16.110 0.139 -4.120 1.00 0.00 C ATOM 114 OE1 GLU A 9 15.442 1.021 -4.636 1.00 0.00 O ATOM 115 OE2 GLU A 9 17.081 0.348 -3.412 1.00 0.00 O ATOM 0 HA GLU A 9 13.642 0.080 -3.343 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.983 -2.389 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.087 -0.738 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.841 -1.895 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.344 -1.747 -5.135 1.00 0.00 H new ATOM 122 N GLU A 10 11.227 -2.003 -4.161 1.00 0.00 N ATOM 123 CA GLU A 10 9.835 -2.068 -4.596 1.00 0.00 C ATOM 124 C GLU A 10 8.959 -1.182 -3.714 1.00 0.00 C ATOM 125 O GLU A 10 8.172 -0.378 -4.214 1.00 0.00 O ATOM 126 CB GLU A 10 9.333 -3.510 -4.528 1.00 0.00 C ATOM 127 CG GLU A 10 7.936 -3.595 -5.145 1.00 0.00 C ATOM 128 CD GLU A 10 7.402 -5.018 -5.035 1.00 0.00 C ATOM 129 OE1 GLU A 10 7.491 -5.581 -3.956 1.00 0.00 O ATOM 130 OE2 GLU A 10 6.911 -5.525 -6.030 1.00 0.00 O ATOM 0 H GLU A 10 11.626 -2.898 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 10 9.778 -1.712 -5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.018 -4.170 -5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.306 -3.848 -3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.263 -2.905 -4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.973 -3.292 -6.191 1.00 0.00 H new ATOM 137 N LEU A 11 9.105 -1.332 -2.402 1.00 0.00 N ATOM 138 CA LEU A 11 8.321 -0.537 -1.462 1.00 0.00 C ATOM 139 C LEU A 11 8.613 0.948 -1.646 1.00 0.00 C ATOM 140 O LEU A 11 7.703 1.776 -1.612 1.00 0.00 O ATOM 141 CB LEU A 11 8.655 -0.951 -0.026 1.00 0.00 C ATOM 142 CG LEU A 11 7.817 -2.171 0.362 1.00 0.00 C ATOM 143 CD1 LEU A 11 7.981 -3.263 -0.698 1.00 0.00 C ATOM 144 CD2 LEU A 11 8.289 -2.703 1.717 1.00 0.00 C ATOM 0 H LEU A 11 9.752 -1.990 -1.968 1.00 0.00 H new ATOM 0 HA LEU A 11 7.263 -0.715 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.716 -1.184 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.454 -0.126 0.658 1.00 0.00 H new ATOM 0 HG LEU A 11 6.768 -1.884 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.384 -4.132 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.646 -2.886 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.030 -3.550 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.693 -3.572 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.339 -2.989 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.173 -1.927 2.473 1.00 0.00 H new ATOM 156 N LYS A 12 9.886 1.278 -1.834 1.00 0.00 N ATOM 157 CA LYS A 12 10.284 2.669 -2.010 1.00 0.00 C ATOM 158 C LYS A 12 9.756 3.222 -3.329 1.00 0.00 C ATOM 159 O LYS A 12 9.105 4.266 -3.360 1.00 0.00 O ATOM 160 CB LYS A 12 11.811 2.784 -1.982 1.00 0.00 C ATOM 161 CG LYS A 12 12.312 2.602 -0.549 1.00 0.00 C ATOM 162 CD LYS A 12 13.828 2.809 -0.507 1.00 0.00 C ATOM 163 CE LYS A 12 14.319 2.702 0.938 1.00 0.00 C ATOM 164 NZ LYS A 12 14.516 1.267 1.290 1.00 0.00 N ATOM 0 H LYS A 12 10.654 0.607 -1.868 1.00 0.00 H new ATOM 0 HA LYS A 12 9.859 3.251 -1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.255 2.030 -2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.120 3.757 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.819 3.314 0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.061 1.605 -0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.325 2.063 -1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.084 3.786 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.255 3.249 1.057 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.595 3.157 1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.850 1.193 2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.614 0.758 1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.222 0.847 0.652 1.00 0.00 H new ATOM 178 N GLU A 13 10.035 2.510 -4.416 1.00 0.00 N ATOM 179 CA GLU A 13 9.579 2.937 -5.733 1.00 0.00 C ATOM 180 C GLU A 13 8.062 3.090 -5.751 1.00 0.00 C ATOM 181 O GLU A 13 7.537 4.130 -6.154 1.00 0.00 O ATOM 182 CB GLU A 13 10.001 1.912 -6.789 1.00 0.00 C ATOM 183 CG GLU A 13 11.519 1.970 -6.980 1.00 0.00 C ATOM 184 CD GLU A 13 11.908 3.279 -7.658 1.00 0.00 C ATOM 185 OE1 GLU A 13 11.306 3.603 -8.669 1.00 0.00 O ATOM 186 OE2 GLU A 13 12.805 3.939 -7.157 1.00 0.00 O ATOM 0 H GLU A 13 10.570 1.642 -4.412 1.00 0.00 H new ATOM 0 HA GLU A 13 10.034 3.902 -5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.701 0.911 -6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.497 2.118 -7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.019 1.888 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.851 1.125 -7.584 1.00 0.00 H new ATOM 193 N ALA A 14 7.362 2.052 -5.307 1.00 0.00 N ATOM 194 CA ALA A 14 5.904 2.086 -5.267 1.00 0.00 C ATOM 195 C ALA A 14 5.421 3.256 -4.415 1.00 0.00 C ATOM 196 O ALA A 14 4.500 3.978 -4.798 1.00 0.00 O ATOM 197 CB ALA A 14 5.365 0.777 -4.690 1.00 0.00 C ATOM 0 H ALA A 14 7.776 1.182 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 14 5.534 2.212 -6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.276 0.812 -4.664 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.687 -0.056 -5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.748 0.640 -3.679 1.00 0.00 H new ATOM 203 N PHE A 15 6.052 3.443 -3.260 1.00 0.00 N ATOM 204 CA PHE A 15 5.687 4.538 -2.369 1.00 0.00 C ATOM 205 C PHE A 15 5.714 5.867 -3.120 1.00 0.00 C ATOM 206 O PHE A 15 4.794 6.675 -2.999 1.00 0.00 O ATOM 207 CB PHE A 15 6.662 4.598 -1.191 1.00 0.00 C ATOM 208 CG PHE A 15 6.233 5.688 -0.238 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.100 5.507 0.566 1.00 0.00 C ATOM 210 CD2 PHE A 15 6.965 6.877 -0.157 1.00 0.00 C ATOM 211 CE1 PHE A 15 4.702 6.516 1.451 1.00 0.00 C ATOM 212 CE2 PHE A 15 6.567 7.886 0.727 1.00 0.00 C ATOM 213 CZ PHE A 15 5.435 7.705 1.531 1.00 0.00 C ATOM 0 H PHE A 15 6.813 2.855 -2.921 1.00 0.00 H new ATOM 0 HA PHE A 15 4.678 4.361 -1.997 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.686 3.638 -0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 15 7.672 4.792 -1.551 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.534 4.589 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.838 7.016 -0.777 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.829 6.377 2.072 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.133 8.804 0.789 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.128 8.484 2.213 1.00 0.00 H new ATOM 223 N LYS A 16 6.770 6.082 -3.896 1.00 0.00 N ATOM 224 CA LYS A 16 6.904 7.313 -4.666 1.00 0.00 C ATOM 225 C LYS A 16 5.780 7.424 -5.692 1.00 0.00 C ATOM 226 O LYS A 16 5.338 8.525 -6.027 1.00 0.00 O ATOM 227 CB LYS A 16 8.256 7.342 -5.378 1.00 0.00 C ATOM 228 CG LYS A 16 8.441 8.694 -6.071 1.00 0.00 C ATOM 229 CD LYS A 16 9.827 8.753 -6.713 1.00 0.00 C ATOM 230 CE LYS A 16 10.024 10.117 -7.380 1.00 0.00 C ATOM 231 NZ LYS A 16 9.077 10.252 -8.524 1.00 0.00 N ATOM 0 H LYS A 16 7.542 5.424 -4.009 1.00 0.00 H new ATOM 0 HA LYS A 16 6.841 8.158 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.060 7.176 -4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.311 6.536 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.671 8.834 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.328 9.503 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.596 8.591 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.932 7.957 -7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.854 10.915 -6.657 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.051 10.217 -7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.400 11.014 -9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.042 9.357 -9.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.128 10.479 -8.164 1.00 0.00 H new ATOM 245 N VAL A 17 5.333 6.281 -6.199 1.00 0.00 N ATOM 246 CA VAL A 17 4.250 6.258 -7.177 1.00 0.00 C ATOM 247 C VAL A 17 2.912 6.553 -6.505 1.00 0.00 C ATOM 248 O VAL A 17 2.091 7.299 -7.036 1.00 0.00 O ATOM 249 CB VAL A 17 4.195 4.897 -7.865 1.00 0.00 C ATOM 250 CG1 VAL A 17 2.985 4.845 -8.798 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.474 4.684 -8.677 1.00 0.00 C ATOM 0 H VAL A 17 5.701 5.362 -5.951 1.00 0.00 H new ATOM 0 HA VAL A 17 4.443 7.030 -7.922 1.00 0.00 H new ATOM 0 HB VAL A 17 4.107 4.113 -7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.946 3.873 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.073 4.996 -8.220 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.072 5.629 -9.551 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.435 3.712 -9.169 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.562 5.468 -9.429 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.337 4.720 -8.012 1.00 0.00 H new ATOM 261 N PHE A 18 2.698 5.952 -5.338 1.00 0.00 N ATOM 262 CA PHE A 18 1.460 6.161 -4.599 1.00 0.00 C ATOM 263 C PHE A 18 1.337 7.617 -4.158 1.00 0.00 C ATOM 264 O PHE A 18 0.272 8.225 -4.277 1.00 0.00 O ATOM 265 CB PHE A 18 1.421 5.249 -3.372 1.00 0.00 C ATOM 266 CG PHE A 18 0.750 3.944 -3.733 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.647 3.869 -3.782 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.524 2.815 -4.021 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.271 2.660 -4.118 1.00 0.00 C ATOM 270 CE2 PHE A 18 0.901 1.607 -4.357 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.497 1.530 -4.405 1.00 0.00 C ATOM 0 H PHE A 18 3.361 5.321 -4.888 1.00 0.00 H new ATOM 0 HA PHE A 18 0.624 5.920 -5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.433 5.062 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.880 5.736 -2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.243 4.742 -3.561 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.602 2.875 -3.984 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.349 2.600 -4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.498 0.735 -4.579 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.978 0.598 -4.664 1.00 0.00 H new ATOM 281 N ASP A 19 2.432 8.168 -3.645 1.00 0.00 N ATOM 282 CA ASP A 19 2.435 9.552 -3.185 1.00 0.00 C ATOM 283 C ASP A 19 2.522 10.509 -4.369 1.00 0.00 C ATOM 284 O ASP A 19 3.539 11.172 -4.570 1.00 0.00 O ATOM 285 CB ASP A 19 3.620 9.788 -2.247 1.00 0.00 C ATOM 286 CG ASP A 19 3.458 11.123 -1.528 1.00 0.00 C ATOM 287 OD1 ASP A 19 2.338 11.598 -1.448 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.457 11.649 -1.066 1.00 0.00 O ATOM 0 H ASP A 19 3.322 7.682 -3.538 1.00 0.00 H new ATOM 0 HA ASP A 19 1.505 9.739 -2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.685 8.979 -1.519 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.551 9.782 -2.815 1.00 0.00 H new ATOM 293 N LYS A 20 1.446 10.579 -5.147 1.00 0.00 N ATOM 294 CA LYS A 20 1.413 11.459 -6.310 1.00 0.00 C ATOM 295 C LYS A 20 1.685 12.902 -5.894 1.00 0.00 C ATOM 296 O LYS A 20 2.469 13.604 -6.533 1.00 0.00 O ATOM 297 CB LYS A 20 0.046 11.372 -6.991 1.00 0.00 C ATOM 298 CG LYS A 20 0.058 12.209 -8.272 1.00 0.00 C ATOM 299 CD LYS A 20 -1.284 12.064 -8.990 1.00 0.00 C ATOM 300 CE LYS A 20 -1.266 12.889 -10.277 1.00 0.00 C ATOM 301 NZ LYS A 20 -1.022 14.322 -9.946 1.00 0.00 N ATOM 0 H LYS A 20 0.592 10.042 -4.995 1.00 0.00 H new ATOM 0 HA LYS A 20 2.187 11.140 -7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.190 10.334 -7.225 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.731 11.731 -6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.243 13.256 -8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.868 11.883 -8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.474 11.016 -9.220 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.093 12.400 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.488 12.522 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.215 12.783 -10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.338 14.920 -10.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.552 14.575 -9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.006 14.472 -9.783 1.00 0.00 H new ATOM 315 N ASP A 21 1.036 13.336 -4.818 1.00 0.00 N ATOM 316 CA ASP A 21 1.219 14.696 -4.326 1.00 0.00 C ATOM 317 C ASP A 21 2.655 14.902 -3.851 1.00 0.00 C ATOM 318 O ASP A 21 3.130 16.034 -3.753 1.00 0.00 O ATOM 319 CB ASP A 21 0.257 14.965 -3.167 1.00 0.00 C ATOM 320 CG ASP A 21 -1.149 14.501 -3.540 1.00 0.00 C ATOM 321 OD1 ASP A 21 -1.612 14.873 -4.604 1.00 0.00 O ATOM 322 OD2 ASP A 21 -1.739 13.778 -2.753 1.00 0.00 O ATOM 0 H ASP A 21 0.384 12.771 -4.274 1.00 0.00 H new ATOM 0 HA ASP A 21 1.011 15.389 -5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.596 14.443 -2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.247 16.029 -2.930 1.00 0.00 H new ATOM 327 N GLN A 22 3.340 13.803 -3.561 1.00 0.00 N ATOM 328 CA GLN A 22 4.721 13.874 -3.094 1.00 0.00 C ATOM 329 C GLN A 22 4.800 14.625 -1.769 1.00 0.00 C ATOM 330 O GLN A 22 5.748 15.370 -1.520 1.00 0.00 O ATOM 331 CB GLN A 22 5.588 14.583 -4.137 1.00 0.00 C ATOM 332 CG GLN A 22 7.059 14.226 -3.907 1.00 0.00 C ATOM 333 CD GLN A 22 7.935 14.943 -4.927 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.460 15.329 -5.995 1.00 0.00 O ATOM 335 NE2 GLN A 22 9.196 15.147 -4.661 1.00 0.00 N ATOM 0 H GLN A 22 2.966 12.857 -3.640 1.00 0.00 H new ATOM 0 HA GLN A 22 5.088 12.858 -2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.284 14.286 -5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.450 15.662 -4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.357 14.509 -2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.197 13.148 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.589 14.827 -3.776 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.789 15.627 -5.338 1.00 0.00 H new ATOM 344 N ASN A 23 3.795 14.429 -0.922 1.00 0.00 N ATOM 345 CA ASN A 23 3.756 15.099 0.372 1.00 0.00 C ATOM 346 C ASN A 23 4.235 14.164 1.477 1.00 0.00 C ATOM 347 O ASN A 23 4.176 14.501 2.660 1.00 0.00 O ATOM 348 CB ASN A 23 2.331 15.565 0.676 1.00 0.00 C ATOM 349 CG ASN A 23 1.369 14.385 0.596 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.584 13.459 -0.188 1.00 0.00 O ATOM 351 ND2 ASN A 23 0.312 14.361 1.362 1.00 0.00 N ATOM 0 H ASN A 23 3.001 13.816 -1.107 1.00 0.00 H new ATOM 0 HA ASN A 23 4.420 15.963 0.332 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.290 16.012 1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.033 16.337 -0.033 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.337 13.575 1.312 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.135 15.128 2.011 1.00 0.00 H new ATOM 358 N GLY A 24 4.708 12.986 1.083 1.00 0.00 N ATOM 359 CA GLY A 24 5.194 12.008 2.050 1.00 0.00 C ATOM 360 C GLY A 24 4.034 11.321 2.759 1.00 0.00 C ATOM 361 O GLY A 24 4.218 10.680 3.796 1.00 0.00 O ATOM 0 H GLY A 24 4.765 12.687 0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.808 11.263 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.832 12.502 2.783 1.00 0.00 H new ATOM 365 N TYR A 25 2.837 11.458 2.196 1.00 0.00 N ATOM 366 CA TYR A 25 1.651 10.846 2.786 1.00 0.00 C ATOM 367 C TYR A 25 0.721 10.327 1.696 1.00 0.00 C ATOM 368 O TYR A 25 0.552 10.962 0.655 1.00 0.00 O ATOM 369 CB TYR A 25 0.911 11.868 3.649 1.00 0.00 C ATOM 370 CG TYR A 25 1.570 11.957 5.006 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.735 12.715 5.170 1.00 0.00 C ATOM 372 CD2 TYR A 25 1.017 11.277 6.097 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.346 12.794 6.427 1.00 0.00 C ATOM 374 CE2 TYR A 25 1.628 11.356 7.354 1.00 0.00 C ATOM 375 CZ TYR A 25 2.793 12.115 7.519 1.00 0.00 C ATOM 376 OH TYR A 25 3.395 12.194 8.758 1.00 0.00 O ATOM 0 H TYR A 25 2.663 11.983 1.339 1.00 0.00 H new ATOM 0 HA TYR A 25 1.967 10.008 3.408 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.921 12.844 3.164 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.134 11.578 3.759 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.162 13.239 4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.119 10.691 5.969 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.245 13.379 6.554 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.201 10.832 8.196 1.00 0.00 H new ATOM 0 HH TYR A 25 2.883 11.666 9.405 1.00 0.00 H new ATOM 386 N ILE A 26 0.113 9.172 1.944 1.00 0.00 N ATOM 387 CA ILE A 26 -0.799 8.573 0.977 1.00 0.00 C ATOM 388 C ILE A 26 -2.240 8.698 1.454 1.00 0.00 C ATOM 389 O ILE A 26 -2.540 8.464 2.626 1.00 0.00 O ATOM 390 CB ILE A 26 -0.453 7.098 0.772 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.948 6.983 0.168 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.470 6.462 -0.178 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.411 5.527 0.225 1.00 0.00 C ATOM 0 H ILE A 26 0.234 8.634 2.802 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.693 9.103 0.031 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.480 6.582 1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.940 7.333 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.644 7.619 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.223 5.410 -0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.469 6.544 0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.443 6.978 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.409 5.445 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.435 5.193 1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.720 4.903 -0.341 1.00 0.00 H new ATOM 405 N SER A 27 -3.133 9.069 0.542 1.00 0.00 N ATOM 406 CA SER A 27 -4.544 9.222 0.881 1.00 0.00 C ATOM 407 C SER A 27 -5.380 8.150 0.193 1.00 0.00 C ATOM 408 O SER A 27 -4.847 7.164 -0.319 1.00 0.00 O ATOM 409 CB SER A 27 -5.034 10.606 0.456 1.00 0.00 C ATOM 410 OG SER A 27 -5.426 10.566 -0.910 1.00 0.00 O ATOM 0 H SER A 27 -2.907 9.268 -0.432 1.00 0.00 H new ATOM 0 HA SER A 27 -4.654 9.113 1.960 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.874 10.914 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.244 11.344 0.598 1.00 0.00 H new ATOM 0 HG SER A 27 -5.004 11.307 -1.393 1.00 0.00 H new ATOM 416 N ALA A 28 -6.696 8.346 0.185 1.00 0.00 N ATOM 417 CA ALA A 28 -7.597 7.391 -0.449 1.00 0.00 C ATOM 418 C ALA A 28 -7.712 7.673 -1.944 1.00 0.00 C ATOM 419 O ALA A 28 -7.794 6.750 -2.754 1.00 0.00 O ATOM 420 CB ALA A 28 -8.981 7.474 0.197 1.00 0.00 C ATOM 0 H ALA A 28 -7.158 9.151 0.607 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.191 6.389 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.649 6.758 -0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.901 7.242 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.380 8.481 0.074 1.00 0.00 H new ATOM 426 N SER A 29 -7.717 8.953 -2.301 1.00 0.00 N ATOM 427 CA SER A 29 -7.832 9.342 -3.702 1.00 0.00 C ATOM 428 C SER A 29 -6.700 8.734 -4.521 1.00 0.00 C ATOM 429 O SER A 29 -6.924 8.208 -5.613 1.00 0.00 O ATOM 430 CB SER A 29 -7.788 10.867 -3.823 1.00 0.00 C ATOM 431 OG SER A 29 -6.565 11.346 -3.282 1.00 0.00 O ATOM 0 H SER A 29 -7.644 9.732 -1.647 1.00 0.00 H new ATOM 0 HA SER A 29 -8.783 8.972 -4.086 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.877 11.163 -4.868 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.631 11.310 -3.293 1.00 0.00 H new ATOM 0 HG SER A 29 -6.335 10.826 -2.484 1.00 0.00 H new ATOM 437 N GLU A 30 -5.486 8.808 -3.991 1.00 0.00 N ATOM 438 CA GLU A 30 -4.324 8.257 -4.682 1.00 0.00 C ATOM 439 C GLU A 30 -4.369 6.733 -4.677 1.00 0.00 C ATOM 440 O GLU A 30 -4.080 6.091 -5.688 1.00 0.00 O ATOM 441 CB GLU A 30 -3.038 8.734 -4.005 1.00 0.00 C ATOM 442 CG GLU A 30 -2.823 10.219 -4.306 1.00 0.00 C ATOM 443 CD GLU A 30 -1.572 10.720 -3.593 1.00 0.00 C ATOM 444 OE1 GLU A 30 -1.067 10.000 -2.747 1.00 0.00 O ATOM 445 OE2 GLU A 30 -1.131 11.813 -3.907 1.00 0.00 O ATOM 0 H GLU A 30 -5.279 9.241 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.341 8.606 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.101 8.576 -2.928 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.189 8.153 -4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.724 10.370 -5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.691 10.793 -3.982 1.00 0.00 H new ATOM 452 N LEU A 31 -4.735 6.160 -3.535 1.00 0.00 N ATOM 453 CA LEU A 31 -4.814 4.710 -3.414 1.00 0.00 C ATOM 454 C LEU A 31 -5.829 4.145 -4.405 1.00 0.00 C ATOM 455 O LEU A 31 -5.557 3.159 -5.089 1.00 0.00 O ATOM 456 CB LEU A 31 -5.228 4.328 -1.990 1.00 0.00 C ATOM 457 CG LEU A 31 -4.808 2.884 -1.705 1.00 0.00 C ATOM 458 CD1 LEU A 31 -3.369 2.865 -1.186 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.738 2.281 -0.649 1.00 0.00 C ATOM 0 H LEU A 31 -4.979 6.673 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.832 4.291 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.762 5.002 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.307 4.434 -1.873 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.872 2.299 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.069 1.837 -0.983 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.706 3.295 -1.937 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.305 3.450 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.439 1.253 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.674 2.866 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.764 2.295 -1.017 1.00 0.00 H new ATOM 471 N ARG A 32 -6.994 4.779 -4.479 1.00 0.00 N ATOM 472 CA ARG A 32 -8.036 4.336 -5.397 1.00 0.00 C ATOM 473 C ARG A 32 -7.576 4.487 -6.843 1.00 0.00 C ATOM 474 O ARG A 32 -7.815 3.611 -7.674 1.00 0.00 O ATOM 475 CB ARG A 32 -9.310 5.155 -5.175 1.00 0.00 C ATOM 476 CG ARG A 32 -10.344 4.795 -6.245 1.00 0.00 C ATOM 477 CD ARG A 32 -11.630 5.584 -6.000 1.00 0.00 C ATOM 478 NE ARG A 32 -12.276 5.129 -4.773 1.00 0.00 N ATOM 479 CZ ARG A 32 -13.414 5.670 -4.353 1.00 0.00 C ATOM 480 NH1 ARG A 32 -13.974 6.627 -5.043 1.00 0.00 N ATOM 481 NH2 ARG A 32 -13.972 5.246 -3.254 1.00 0.00 N ATOM 0 H ARG A 32 -7.239 5.595 -3.919 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.243 3.284 -5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.714 4.956 -4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.082 6.220 -5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.950 5.020 -7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.551 3.725 -6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.404 6.648 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -12.308 5.459 -6.844 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.846 4.382 -4.228 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.537 6.958 -5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.848 7.043 -4.722 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.535 4.498 -2.716 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.846 5.662 -2.932 1.00 0.00 H new ATOM 495 N HIS A 33 -6.926 5.606 -7.137 1.00 0.00 N ATOM 496 CA HIS A 33 -6.451 5.869 -8.492 1.00 0.00 C ATOM 497 C HIS A 33 -5.493 4.776 -8.949 1.00 0.00 C ATOM 498 O HIS A 33 -5.586 4.285 -10.074 1.00 0.00 O ATOM 499 CB HIS A 33 -5.745 7.226 -8.543 1.00 0.00 C ATOM 500 CG HIS A 33 -6.750 8.324 -8.327 1.00 0.00 C ATOM 501 ND1 HIS A 33 -6.391 9.663 -8.322 1.00 0.00 N ATOM 502 CD2 HIS A 33 -8.104 8.298 -8.103 1.00 0.00 C ATOM 503 CE1 HIS A 33 -7.508 10.382 -8.104 1.00 0.00 C ATOM 504 NE2 HIS A 33 -8.580 9.598 -7.963 1.00 0.00 N ATOM 0 H HIS A 33 -6.716 6.342 -6.462 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.311 5.881 -9.161 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.969 7.273 -7.779 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.251 7.355 -9.506 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.708 7.405 -8.044 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.534 11.460 -8.050 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.542 9.890 -7.790 1.00 0.00 H new ATOM 512 N VAL A 34 -4.578 4.400 -8.070 1.00 0.00 N ATOM 513 CA VAL A 34 -3.599 3.362 -8.393 1.00 0.00 C ATOM 514 C VAL A 34 -4.293 2.021 -8.603 1.00 0.00 C ATOM 515 O VAL A 34 -3.951 1.269 -9.516 1.00 0.00 O ATOM 516 CB VAL A 34 -2.572 3.238 -7.265 1.00 0.00 C ATOM 517 CG1 VAL A 34 -1.635 2.064 -7.554 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.756 4.530 -7.175 1.00 0.00 C ATOM 0 H VAL A 34 -4.489 4.792 -7.132 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.090 3.644 -9.314 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.089 3.066 -6.321 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.904 1.976 -6.751 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.215 1.143 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.118 2.235 -8.498 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.024 4.443 -6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.240 4.701 -8.120 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.422 5.368 -6.969 1.00 0.00 H new ATOM 528 N MET A 35 -5.264 1.727 -7.750 1.00 0.00 N ATOM 529 CA MET A 35 -5.996 0.463 -7.841 1.00 0.00 C ATOM 530 C MET A 35 -6.706 0.355 -9.188 1.00 0.00 C ATOM 531 O MET A 35 -6.726 -0.712 -9.804 1.00 0.00 O ATOM 532 CB MET A 35 -7.020 0.369 -6.711 1.00 0.00 C ATOM 533 CG MET A 35 -6.302 0.082 -5.393 1.00 0.00 C ATOM 534 SD MET A 35 -7.506 0.052 -4.041 1.00 0.00 S ATOM 535 CE MET A 35 -6.427 -0.688 -2.792 1.00 0.00 C ATOM 0 H MET A 35 -5.565 2.339 -6.991 1.00 0.00 H new ATOM 0 HA MET A 35 -5.284 -0.357 -7.751 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.581 1.301 -6.636 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.741 -0.421 -6.924 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.781 -0.874 -5.451 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.547 0.845 -5.205 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.702 -1.732 -2.646 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.391 -0.629 -3.125 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.537 -0.149 -1.851 1.00 0.00 H new ATOM 545 N ILE A 36 -7.286 1.461 -9.638 1.00 0.00 N ATOM 546 CA ILE A 36 -7.971 1.489 -10.926 1.00 0.00 C ATOM 547 C ILE A 36 -6.971 1.268 -12.062 1.00 0.00 C ATOM 548 O ILE A 36 -7.249 0.537 -13.012 1.00 0.00 O ATOM 549 CB ILE A 36 -8.676 2.829 -11.115 1.00 0.00 C ATOM 550 CG1 ILE A 36 -9.817 2.948 -10.099 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.250 2.907 -12.535 1.00 0.00 C ATOM 552 CD1 ILE A 36 -11.041 2.183 -10.606 1.00 0.00 C ATOM 0 H ILE A 36 -7.296 2.347 -9.133 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.711 0.689 -10.944 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.965 3.641 -10.964 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.501 2.550 -9.135 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.070 3.997 -9.943 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.754 3.864 -12.672 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.441 2.816 -13.260 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.963 2.097 -12.684 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.850 2.270 -9.881 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.362 2.601 -11.560 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.784 1.132 -10.739 1.00 0.00 H new ATOM 564 N ASN A 37 -5.812 1.911 -11.957 1.00 0.00 N ATOM 565 CA ASN A 37 -4.774 1.766 -12.970 1.00 0.00 C ATOM 566 C ASN A 37 -4.352 0.304 -13.091 1.00 0.00 C ATOM 567 O ASN A 37 -3.945 -0.148 -14.162 1.00 0.00 O ATOM 568 CB ASN A 37 -3.562 2.620 -12.603 1.00 0.00 C ATOM 569 CG ASN A 37 -2.462 2.440 -13.643 1.00 0.00 C ATOM 570 OD1 ASN A 37 -2.730 2.479 -14.843 1.00 0.00 O ATOM 571 ND2 ASN A 37 -1.233 2.243 -13.252 1.00 0.00 N ATOM 0 H ASN A 37 -5.570 2.533 -11.186 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.174 2.101 -13.927 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.851 3.669 -12.545 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.192 2.336 -11.618 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.492 2.121 -13.942 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.013 2.211 -12.256 1.00 0.00 H new ATOM 578 N LEU A 38 -4.448 -0.429 -11.987 1.00 0.00 N ATOM 579 CA LEU A 38 -4.078 -1.840 -11.985 1.00 0.00 C ATOM 580 C LEU A 38 -5.164 -2.680 -12.654 1.00 0.00 C ATOM 581 O LEU A 38 -5.061 -3.905 -12.721 1.00 0.00 O ATOM 582 CB LEU A 38 -3.875 -2.324 -10.546 1.00 0.00 C ATOM 583 CG LEU A 38 -2.631 -1.654 -9.957 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.514 -2.014 -8.473 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.386 -2.148 -10.700 1.00 0.00 C ATOM 0 H LEU A 38 -4.776 -0.074 -11.089 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.149 -1.953 -12.543 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.751 -2.085 -9.943 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.761 -3.408 -10.527 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.714 -0.573 -10.065 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.629 -1.538 -8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.400 -1.665 -7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.430 -3.095 -8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.500 -1.672 -10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.302 -3.229 -10.591 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.469 -1.895 -11.757 1.00 0.00 H new ATOM 597 N GLY A 39 -6.202 -2.012 -13.146 1.00 0.00 N ATOM 598 CA GLY A 39 -7.302 -2.707 -13.803 1.00 0.00 C ATOM 599 C GLY A 39 -8.236 -3.337 -12.777 1.00 0.00 C ATOM 600 O GLY A 39 -8.941 -4.302 -13.073 1.00 0.00 O ATOM 0 H GLY A 39 -6.304 -0.998 -13.103 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.859 -2.008 -14.427 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.907 -3.479 -14.464 1.00 0.00 H new ATOM 604 N GLU A 40 -8.237 -2.786 -11.566 1.00 0.00 N ATOM 605 CA GLU A 40 -9.089 -3.305 -10.502 1.00 0.00 C ATOM 606 C GLU A 40 -10.024 -2.215 -9.988 1.00 0.00 C ATOM 607 O GLU A 40 -9.620 -1.064 -9.818 1.00 0.00 O ATOM 608 CB GLU A 40 -8.227 -3.825 -9.350 1.00 0.00 C ATOM 609 CG GLU A 40 -7.425 -5.039 -9.822 1.00 0.00 C ATOM 610 CD GLU A 40 -6.507 -5.524 -8.704 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.515 -4.910 -7.650 1.00 0.00 O ATOM 612 OE2 GLU A 40 -5.810 -6.501 -8.920 1.00 0.00 O ATOM 0 H GLU A 40 -7.662 -1.987 -11.299 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.687 -4.122 -10.905 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.552 -3.042 -9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.858 -4.099 -8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.102 -5.839 -10.121 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.835 -4.777 -10.700 1.00 0.00 H new ATOM 619 N LYS A 41 -11.277 -2.586 -9.738 1.00 0.00 N ATOM 620 CA LYS A 41 -12.263 -1.629 -9.246 1.00 0.00 C ATOM 621 C LYS A 41 -12.653 -1.955 -7.810 1.00 0.00 C ATOM 622 O LYS A 41 -13.419 -2.886 -7.559 1.00 0.00 O ATOM 623 CB LYS A 41 -13.508 -1.661 -10.135 1.00 0.00 C ATOM 624 CG LYS A 41 -14.476 -0.560 -9.695 1.00 0.00 C ATOM 625 CD LYS A 41 -15.682 -0.534 -10.637 1.00 0.00 C ATOM 626 CE LYS A 41 -16.634 0.588 -10.218 1.00 0.00 C ATOM 627 NZ LYS A 41 -17.800 0.621 -11.144 1.00 0.00 N ATOM 0 H LYS A 41 -11.631 -3.534 -9.867 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.822 -0.633 -9.274 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.227 -1.518 -11.178 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.992 -2.635 -10.066 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.805 -0.738 -8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.973 0.407 -9.705 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.351 -0.380 -11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.199 -1.493 -10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -16.973 0.428 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -16.114 1.546 -10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -18.448 1.384 -10.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -17.468 0.793 -12.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.300 -0.290 -11.105 1.00 0.00 H new ATOM 641 N LEU A 42 -12.120 -1.183 -6.866 1.00 0.00 N ATOM 642 CA LEU A 42 -12.416 -1.401 -5.454 1.00 0.00 C ATOM 643 C LEU A 42 -13.307 -0.287 -4.916 1.00 0.00 C ATOM 644 O LEU A 42 -13.223 0.858 -5.361 1.00 0.00 O ATOM 645 CB LEU A 42 -11.117 -1.454 -4.651 1.00 0.00 C ATOM 646 CG LEU A 42 -10.513 -2.858 -4.744 1.00 0.00 C ATOM 647 CD1 LEU A 42 -10.210 -3.187 -6.206 1.00 0.00 C ATOM 648 CD2 LEU A 42 -9.221 -2.910 -3.929 1.00 0.00 C ATOM 0 H LEU A 42 -11.485 -0.406 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.942 -2.350 -5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.411 -0.717 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.311 -1.199 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.221 -3.586 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.780 -4.186 -6.272 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.132 -3.149 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.502 -2.460 -6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.790 -3.909 -3.994 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.512 -2.182 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.439 -2.676 -2.887 1.00 0.00 H new ATOM 660 N THR A 43 -14.159 -0.629 -3.955 1.00 0.00 N ATOM 661 CA THR A 43 -15.067 0.350 -3.369 1.00 0.00 C ATOM 662 C THR A 43 -14.371 1.131 -2.261 1.00 0.00 C ATOM 663 O THR A 43 -13.367 0.682 -1.709 1.00 0.00 O ATOM 664 CB THR A 43 -16.303 -0.357 -2.804 1.00 0.00 C ATOM 665 OG1 THR A 43 -16.611 -1.486 -3.609 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.489 0.608 -2.798 1.00 0.00 C ATOM 0 H THR A 43 -14.240 -1.569 -3.568 1.00 0.00 H new ATOM 0 HA THR A 43 -15.373 1.047 -4.149 1.00 0.00 H new ATOM 0 HB THR A 43 -16.100 -0.683 -1.784 1.00 0.00 H new ATOM 0 HG1 THR A 43 -17.401 -1.940 -3.247 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.367 0.103 -2.396 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.252 1.472 -2.178 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.695 0.938 -3.816 1.00 0.00 H new ATOM 674 N ASP A 44 -14.915 2.300 -1.936 1.00 0.00 N ATOM 675 CA ASP A 44 -14.337 3.134 -0.890 1.00 0.00 C ATOM 676 C ASP A 44 -14.118 2.321 0.383 1.00 0.00 C ATOM 677 O ASP A 44 -13.088 2.454 1.045 1.00 0.00 O ATOM 678 CB ASP A 44 -15.266 4.312 -0.588 1.00 0.00 C ATOM 679 CG ASP A 44 -14.549 5.331 0.290 1.00 0.00 C ATOM 680 OD1 ASP A 44 -13.336 5.248 0.390 1.00 0.00 O ATOM 681 OD2 ASP A 44 -15.223 6.181 0.849 1.00 0.00 O ATOM 0 H ASP A 44 -15.748 2.688 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.375 3.509 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -15.585 4.782 -1.518 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.166 3.957 -0.086 1.00 0.00 H new ATOM 686 N GLU A 45 -15.091 1.480 0.718 1.00 0.00 N ATOM 687 CA GLU A 45 -14.993 0.653 1.916 1.00 0.00 C ATOM 688 C GLU A 45 -13.657 -0.080 1.953 1.00 0.00 C ATOM 689 O GLU A 45 -12.984 -0.110 2.985 1.00 0.00 O ATOM 690 CB GLU A 45 -16.136 -0.364 1.940 1.00 0.00 C ATOM 691 CG GLU A 45 -17.459 0.359 2.200 1.00 0.00 C ATOM 692 CD GLU A 45 -17.886 1.130 0.955 1.00 0.00 C ATOM 693 OE1 GLU A 45 -17.418 0.786 -0.118 1.00 0.00 O ATOM 694 OE2 GLU A 45 -18.672 2.050 1.093 1.00 0.00 O ATOM 0 H GLU A 45 -15.950 1.353 0.182 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.063 1.301 2.790 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.182 -0.898 0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.958 -1.109 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.229 -0.362 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.350 1.043 3.042 1.00 0.00 H new ATOM 701 N GLU A 46 -13.276 -0.666 0.824 1.00 0.00 N ATOM 702 CA GLU A 46 -12.017 -1.396 0.742 1.00 0.00 C ATOM 703 C GLU A 46 -10.841 -0.474 1.051 1.00 0.00 C ATOM 704 O GLU A 46 -9.914 -0.854 1.766 1.00 0.00 O ATOM 705 CB GLU A 46 -11.846 -1.986 -0.661 1.00 0.00 C ATOM 706 CG GLU A 46 -12.917 -3.053 -0.899 1.00 0.00 C ATOM 707 CD GLU A 46 -12.688 -4.239 0.032 1.00 0.00 C ATOM 708 OE1 GLU A 46 -11.580 -4.374 0.525 1.00 0.00 O ATOM 709 OE2 GLU A 46 -13.624 -4.993 0.240 1.00 0.00 O ATOM 0 H GLU A 46 -13.816 -0.650 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.038 -2.201 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.928 -1.199 -1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.853 -2.423 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.907 -2.631 -0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.888 -3.384 -1.937 1.00 0.00 H new ATOM 716 N VAL A 47 -10.888 0.740 0.510 1.00 0.00 N ATOM 717 CA VAL A 47 -9.817 1.704 0.731 1.00 0.00 C ATOM 718 C VAL A 47 -9.707 2.053 2.212 1.00 0.00 C ATOM 719 O VAL A 47 -8.611 2.074 2.773 1.00 0.00 O ATOM 720 CB VAL A 47 -10.087 2.976 -0.076 1.00 0.00 C ATOM 721 CG1 VAL A 47 -9.083 4.059 0.324 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.937 2.672 -1.569 1.00 0.00 C ATOM 0 H VAL A 47 -11.649 1.077 -0.079 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.878 1.258 0.404 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.099 3.326 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.276 4.964 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.186 4.276 1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.071 3.709 0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.129 3.577 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.924 2.322 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.651 1.900 -1.857 1.00 0.00 H new ATOM 732 N GLU A 48 -10.845 2.324 2.840 1.00 0.00 N ATOM 733 CA GLU A 48 -10.862 2.668 4.255 1.00 0.00 C ATOM 734 C GLU A 48 -10.328 1.511 5.093 1.00 0.00 C ATOM 735 O GLU A 48 -9.464 1.700 5.950 1.00 0.00 O ATOM 736 CB GLU A 48 -12.291 2.997 4.694 1.00 0.00 C ATOM 737 CG GLU A 48 -12.786 4.232 3.939 1.00 0.00 C ATOM 738 CD GLU A 48 -12.007 5.465 4.388 1.00 0.00 C ATOM 739 OE1 GLU A 48 -11.438 5.423 5.466 1.00 0.00 O ATOM 740 OE2 GLU A 48 -11.994 6.434 3.646 1.00 0.00 O ATOM 0 H GLU A 48 -11.762 2.312 2.394 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.224 3.539 4.406 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.948 2.150 4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -12.320 3.179 5.768 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.664 4.085 2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.851 4.378 4.122 1.00 0.00 H new ATOM 747 N GLN A 49 -10.840 0.313 4.835 1.00 0.00 N ATOM 748 CA GLN A 49 -10.408 -0.868 5.576 1.00 0.00 C ATOM 749 C GLN A 49 -8.889 -0.993 5.542 1.00 0.00 C ATOM 750 O GLN A 49 -8.262 -1.350 6.540 1.00 0.00 O ATOM 751 CB GLN A 49 -11.041 -2.124 4.973 1.00 0.00 C ATOM 752 CG GLN A 49 -12.524 -2.177 5.339 1.00 0.00 C ATOM 753 CD GLN A 49 -13.173 -3.405 4.711 1.00 0.00 C ATOM 754 OE1 GLN A 49 -12.497 -4.198 4.054 1.00 0.00 O ATOM 755 NE2 GLN A 49 -14.450 -3.614 4.874 1.00 0.00 N ATOM 0 H GLN A 49 -11.549 0.133 4.124 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.730 -0.763 6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.923 -2.118 3.889 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.532 -3.014 5.344 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.639 -2.209 6.422 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.025 -1.273 4.992 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.009 -2.957 5.418 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -14.890 -4.435 4.457 1.00 0.00 H new ATOM 764 N MET A 50 -8.307 -0.702 4.389 1.00 0.00 N ATOM 765 CA MET A 50 -6.856 -0.781 4.237 1.00 0.00 C ATOM 766 C MET A 50 -6.168 0.351 4.994 1.00 0.00 C ATOM 767 O MET A 50 -5.152 0.142 5.656 1.00 0.00 O ATOM 768 CB MET A 50 -6.480 -0.705 2.754 1.00 0.00 C ATOM 769 CG MET A 50 -6.979 -1.961 2.036 1.00 0.00 C ATOM 770 SD MET A 50 -6.681 -1.796 0.259 1.00 0.00 S ATOM 771 CE MET A 50 -4.873 -1.807 0.328 1.00 0.00 C ATOM 0 H MET A 50 -8.808 -0.411 3.550 1.00 0.00 H new ATOM 0 HA MET A 50 -6.522 -1.732 4.651 1.00 0.00 H new ATOM 0 HB2 MET A 50 -6.919 0.184 2.302 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.399 -0.617 2.646 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.466 -2.842 2.422 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.043 -2.103 2.226 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.474 -2.121 -0.636 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.512 -0.805 0.561 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.543 -2.501 1.101 1.00 0.00 H new ATOM 781 N ILE A 51 -6.729 1.553 4.887 1.00 0.00 N ATOM 782 CA ILE A 51 -6.147 2.715 5.544 1.00 0.00 C ATOM 783 C ILE A 51 -6.238 2.587 7.059 1.00 0.00 C ATOM 784 O ILE A 51 -5.275 2.853 7.774 1.00 0.00 O ATOM 785 CB ILE A 51 -6.869 3.987 5.091 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.547 4.261 3.620 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.406 5.171 5.941 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.459 5.373 3.097 1.00 0.00 C ATOM 0 H ILE A 51 -7.578 1.745 4.356 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.095 2.773 5.264 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.944 3.853 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.502 4.553 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.686 3.354 3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.921 6.075 5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.636 4.978 6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.331 5.304 5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.230 5.569 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.500 5.063 3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.297 6.280 3.679 1.00 0.00 H new ATOM 800 N LYS A 52 -7.405 2.176 7.538 1.00 0.00 N ATOM 801 CA LYS A 52 -7.621 2.028 8.976 1.00 0.00 C ATOM 802 C LYS A 52 -6.681 0.971 9.551 1.00 0.00 C ATOM 803 O LYS A 52 -6.119 1.147 10.628 1.00 0.00 O ATOM 804 CB LYS A 52 -9.074 1.636 9.250 1.00 0.00 C ATOM 805 CG LYS A 52 -9.196 0.111 9.291 1.00 0.00 C ATOM 806 CD LYS A 52 -10.660 -0.282 9.469 1.00 0.00 C ATOM 807 CE LYS A 52 -10.782 -1.807 9.475 1.00 0.00 C ATOM 808 NZ LYS A 52 -12.218 -2.190 9.585 1.00 0.00 N ATOM 0 H LYS A 52 -8.212 1.940 6.960 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.411 2.983 9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.404 2.063 10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.723 2.042 8.474 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.803 -0.320 8.370 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.599 -0.290 10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -11.047 0.128 10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.261 0.138 8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.353 -2.220 8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.218 -2.224 10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.301 -3.227 9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.613 -1.807 10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.743 -1.804 8.775 1.00 0.00 H new ATOM 822 N GLU A 53 -6.534 -0.133 8.824 1.00 0.00 N ATOM 823 CA GLU A 53 -5.657 -1.211 9.267 1.00 0.00 C ATOM 824 C GLU A 53 -4.217 -0.716 9.379 1.00 0.00 C ATOM 825 O GLU A 53 -3.538 -0.978 10.371 1.00 0.00 O ATOM 826 CB GLU A 53 -5.721 -2.376 8.277 1.00 0.00 C ATOM 827 CG GLU A 53 -7.031 -3.142 8.472 1.00 0.00 C ATOM 828 CD GLU A 53 -6.976 -3.945 9.769 1.00 0.00 C ATOM 829 OE1 GLU A 53 -5.905 -4.027 10.346 1.00 0.00 O ATOM 830 OE2 GLU A 53 -8.006 -4.469 10.160 1.00 0.00 O ATOM 0 H GLU A 53 -7.005 -0.304 7.936 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.992 -1.548 10.248 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.655 -2.002 7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.872 -3.043 8.428 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.869 -2.445 8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.201 -3.810 7.628 1.00 0.00 H new ATOM 837 N ALA A 54 -3.762 -0.001 8.356 1.00 0.00 N ATOM 838 CA ALA A 54 -2.402 0.524 8.352 1.00 0.00 C ATOM 839 C ALA A 54 -2.302 1.770 9.225 1.00 0.00 C ATOM 840 O ALA A 54 -1.332 1.948 9.961 1.00 0.00 O ATOM 841 CB ALA A 54 -1.981 0.867 6.920 1.00 0.00 C ATOM 0 H ALA A 54 -4.309 0.227 7.526 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.737 -0.240 8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.964 1.259 6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.022 -0.031 6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.658 1.618 6.512 1.00 0.00 H new ATOM 847 N ASP A 55 -3.312 2.629 9.136 1.00 0.00 N ATOM 848 CA ASP A 55 -3.325 3.861 9.919 1.00 0.00 C ATOM 849 C ASP A 55 -3.527 3.553 11.397 1.00 0.00 C ATOM 850 O ASP A 55 -4.555 3.004 11.794 1.00 0.00 O ATOM 851 CB ASP A 55 -4.447 4.779 9.428 1.00 0.00 C ATOM 852 CG ASP A 55 -4.361 6.127 10.133 1.00 0.00 C ATOM 853 OD1 ASP A 55 -3.674 6.205 11.138 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.980 7.064 9.654 1.00 0.00 O ATOM 0 H ASP A 55 -4.126 2.498 8.535 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.365 4.361 9.792 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.370 4.917 8.350 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.416 4.319 9.622 1.00 0.00 H new ATOM 859 N LEU A 56 -2.536 3.909 12.211 1.00 0.00 N ATOM 860 CA LEU A 56 -2.615 3.664 13.647 1.00 0.00 C ATOM 861 C LEU A 56 -2.972 4.944 14.390 1.00 0.00 C ATOM 862 O LEU A 56 -3.233 4.924 15.594 1.00 0.00 O ATOM 863 CB LEU A 56 -1.273 3.132 14.158 1.00 0.00 C ATOM 864 CG LEU A 56 -0.899 1.866 13.385 1.00 0.00 C ATOM 865 CD1 LEU A 56 0.478 1.379 13.841 1.00 0.00 C ATOM 866 CD2 LEU A 56 -1.939 0.776 13.652 1.00 0.00 C ATOM 0 H LEU A 56 -1.676 4.364 11.904 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.394 2.924 13.829 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.499 3.889 14.034 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.338 2.914 15.224 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.873 2.088 12.318 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.745 0.477 13.291 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.220 2.154 13.649 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.451 1.158 14.908 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.671 -0.125 13.101 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.968 0.554 14.719 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.920 1.122 13.327 1.00 0.00 H new ATOM 878 N ASP A 57 -2.984 6.061 13.667 1.00 0.00 N ATOM 879 CA ASP A 57 -3.310 7.349 14.270 1.00 0.00 C ATOM 880 C ASP A 57 -4.605 7.901 13.686 1.00 0.00 C ATOM 881 O ASP A 57 -5.050 8.986 14.057 1.00 0.00 O ATOM 882 CB ASP A 57 -2.172 8.342 14.026 1.00 0.00 C ATOM 883 CG ASP A 57 -1.832 8.390 12.541 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.740 8.243 11.740 1.00 0.00 O ATOM 885 OD2 ASP A 57 -0.669 8.576 12.226 1.00 0.00 O ATOM 0 H ASP A 57 -2.773 6.100 12.670 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.442 7.205 15.342 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.463 9.333 14.373 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.293 8.048 14.600 1.00 0.00 H new ATOM 890 N GLY A 58 -5.206 7.146 12.772 1.00 0.00 N ATOM 891 CA GLY A 58 -6.455 7.567 12.149 1.00 0.00 C ATOM 892 C GLY A 58 -6.389 9.029 11.730 1.00 0.00 C ATOM 893 O GLY A 58 -7.274 9.821 12.058 1.00 0.00 O ATOM 0 H GLY A 58 -4.851 6.246 12.448 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.659 6.944 11.278 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.280 7.421 12.846 1.00 0.00 H new ATOM 897 N ASP A 59 -5.336 9.385 11.002 1.00 0.00 N ATOM 898 CA ASP A 59 -5.165 10.758 10.542 1.00 0.00 C ATOM 899 C ASP A 59 -5.718 10.923 9.128 1.00 0.00 C ATOM 900 O ASP A 59 -5.593 11.987 8.524 1.00 0.00 O ATOM 901 CB ASP A 59 -3.683 11.135 10.559 1.00 0.00 C ATOM 902 CG ASP A 59 -2.872 10.095 9.793 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.382 9.005 9.591 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.752 10.403 9.418 1.00 0.00 O ATOM 0 H ASP A 59 -4.593 8.746 10.719 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.714 11.417 11.214 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.544 12.119 10.111 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.328 11.200 11.587 1.00 0.00 H new ATOM 909 N GLY A 60 -6.324 9.862 8.609 1.00 0.00 N ATOM 910 CA GLY A 60 -6.889 9.897 7.266 1.00 0.00 C ATOM 911 C GLY A 60 -5.797 9.747 6.214 1.00 0.00 C ATOM 912 O GLY A 60 -6.066 9.788 5.013 1.00 0.00 O ATOM 0 H GLY A 60 -6.436 8.972 9.094 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.620 9.097 7.154 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.419 10.837 7.114 1.00 0.00 H new ATOM 916 N GLN A 61 -4.560 9.573 6.671 1.00 0.00 N ATOM 917 CA GLN A 61 -3.432 9.418 5.759 1.00 0.00 C ATOM 918 C GLN A 61 -2.515 8.296 6.228 1.00 0.00 C ATOM 919 O GLN A 61 -2.573 7.874 7.384 1.00 0.00 O ATOM 920 CB GLN A 61 -2.643 10.726 5.679 1.00 0.00 C ATOM 921 CG GLN A 61 -3.602 11.887 5.412 1.00 0.00 C ATOM 922 CD GLN A 61 -4.270 11.710 4.052 1.00 0.00 C ATOM 923 OE1 GLN A 61 -3.602 11.384 3.071 1.00 0.00 O ATOM 924 NE2 GLN A 61 -5.554 11.906 3.936 1.00 0.00 N ATOM 0 H GLN A 61 -4.315 9.536 7.660 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.818 9.166 4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.103 10.894 6.611 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.899 10.666 4.885 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -4.359 11.932 6.195 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.059 12.832 5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.104 12.176 4.751 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.008 11.789 3.030 1.00 0.00 H new ATOM 933 N VAL A 62 -1.668 7.814 5.325 1.00 0.00 N ATOM 934 CA VAL A 62 -0.741 6.735 5.659 1.00 0.00 C ATOM 935 C VAL A 62 0.699 7.170 5.411 1.00 0.00 C ATOM 936 O VAL A 62 1.035 7.654 4.328 1.00 0.00 O ATOM 937 CB VAL A 62 -1.057 5.500 4.814 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.260 4.304 5.341 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.553 5.192 4.901 1.00 0.00 C ATOM 0 H VAL A 62 -1.603 8.149 4.364 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.857 6.493 6.715 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.784 5.691 3.776 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.485 3.423 4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.806 4.522 5.281 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.533 4.114 6.379 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.779 4.312 4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.825 5.001 5.939 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.122 6.043 4.527 1.00 0.00 H new ATOM 949 N ASN A 63 1.547 6.992 6.418 1.00 0.00 N ATOM 950 CA ASN A 63 2.951 7.369 6.300 1.00 0.00 C ATOM 951 C ASN A 63 3.783 6.191 5.803 1.00 0.00 C ATOM 952 O ASN A 63 3.351 5.041 5.873 1.00 0.00 O ATOM 953 CB ASN A 63 3.483 7.840 7.653 1.00 0.00 C ATOM 954 CG ASN A 63 3.460 6.687 8.650 1.00 0.00 C ATOM 955 OD1 ASN A 63 3.093 5.567 8.297 1.00 0.00 O ATOM 956 ND2 ASN A 63 3.835 6.895 9.882 1.00 0.00 N ATOM 0 H ASN A 63 1.289 6.592 7.320 1.00 0.00 H new ATOM 0 HA ASN A 63 3.029 8.183 5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.500 8.216 7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.876 8.666 8.025 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.824 6.128 10.555 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.139 7.824 10.173 1.00 0.00 H new ATOM 963 N TYR A 64 4.981 6.485 5.307 1.00 0.00 N ATOM 964 CA TYR A 64 5.857 5.443 4.790 1.00 0.00 C ATOM 965 C TYR A 64 6.037 4.333 5.820 1.00 0.00 C ATOM 966 O TYR A 64 6.140 3.158 5.468 1.00 0.00 O ATOM 967 CB TYR A 64 7.224 6.038 4.435 1.00 0.00 C ATOM 968 CG TYR A 64 8.131 4.947 3.921 1.00 0.00 C ATOM 969 CD1 TYR A 64 7.952 4.441 2.628 1.00 0.00 C ATOM 970 CD2 TYR A 64 9.151 4.442 4.735 1.00 0.00 C ATOM 971 CE1 TYR A 64 8.794 3.429 2.150 1.00 0.00 C ATOM 972 CE2 TYR A 64 9.992 3.430 4.257 1.00 0.00 C ATOM 973 CZ TYR A 64 9.814 2.923 2.963 1.00 0.00 C ATOM 974 OH TYR A 64 10.643 1.927 2.493 1.00 0.00 O ATOM 0 H TYR A 64 5.364 7.429 5.253 1.00 0.00 H new ATOM 0 HA TYR A 64 5.399 5.022 3.895 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.109 6.815 3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.666 6.509 5.313 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.165 4.831 1.999 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.289 4.833 5.732 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.656 3.039 1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.778 3.040 4.886 1.00 0.00 H new ATOM 0 HH TYR A 64 11.297 1.692 3.184 1.00 0.00 H new ATOM 984 N GLU A 65 6.073 4.716 7.092 1.00 0.00 N ATOM 985 CA GLU A 65 6.263 3.745 8.165 1.00 0.00 C ATOM 986 C GLU A 65 5.114 2.744 8.191 1.00 0.00 C ATOM 987 O GLU A 65 5.329 1.537 8.308 1.00 0.00 O ATOM 988 CB GLU A 65 6.344 4.466 9.512 1.00 0.00 C ATOM 989 CG GLU A 65 7.494 5.476 9.483 1.00 0.00 C ATOM 990 CD GLU A 65 7.561 6.228 10.808 1.00 0.00 C ATOM 991 OE1 GLU A 65 6.752 5.937 11.672 1.00 0.00 O ATOM 992 OE2 GLU A 65 8.421 7.082 10.938 1.00 0.00 O ATOM 0 H GLU A 65 5.974 5.682 7.404 1.00 0.00 H new ATOM 0 HA GLU A 65 7.194 3.208 7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.403 4.976 9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.500 3.744 10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.437 4.961 9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.351 6.180 8.663 1.00 0.00 H new ATOM 999 N GLU A 66 3.891 3.251 8.079 1.00 0.00 N ATOM 1000 CA GLU A 66 2.714 2.389 8.089 1.00 0.00 C ATOM 1001 C GLU A 66 2.670 1.530 6.830 1.00 0.00 C ATOM 1002 O GLU A 66 2.255 0.374 6.870 1.00 0.00 O ATOM 1003 CB GLU A 66 1.444 3.240 8.175 1.00 0.00 C ATOM 1004 CG GLU A 66 1.282 3.775 9.599 1.00 0.00 C ATOM 1005 CD GLU A 66 0.161 4.807 9.644 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.455 5.029 8.616 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -0.063 5.363 10.707 1.00 0.00 O ATOM 0 H GLU A 66 3.689 4.246 7.981 1.00 0.00 H new ATOM 0 HA GLU A 66 2.772 1.735 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.500 4.068 7.469 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.575 2.643 7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.060 2.955 10.281 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.216 4.225 9.935 1.00 0.00 H new ATOM 1014 N PHE A 67 3.098 2.107 5.713 1.00 0.00 N ATOM 1015 CA PHE A 67 3.084 1.390 4.446 1.00 0.00 C ATOM 1016 C PHE A 67 4.150 0.301 4.427 1.00 0.00 C ATOM 1017 O PHE A 67 3.863 -0.856 4.120 1.00 0.00 O ATOM 1018 CB PHE A 67 3.335 2.367 3.289 1.00 0.00 C ATOM 1019 CG PHE A 67 3.114 1.661 1.974 1.00 0.00 C ATOM 1020 CD1 PHE A 67 1.839 1.637 1.397 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.185 1.028 1.330 1.00 0.00 C ATOM 1022 CE1 PHE A 67 1.634 0.982 0.177 1.00 0.00 C ATOM 1023 CE2 PHE A 67 3.980 0.374 0.111 1.00 0.00 C ATOM 1024 CZ PHE A 67 2.705 0.350 -0.467 1.00 0.00 C ATOM 0 H PHE A 67 3.456 3.061 5.660 1.00 0.00 H new ATOM 0 HA PHE A 67 2.105 0.925 4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.665 3.223 3.371 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.353 2.753 3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.013 2.124 1.893 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.169 1.045 1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.650 0.964 -0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.806 -0.113 -0.385 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.548 -0.155 -1.408 1.00 0.00 H new ATOM 1034 N VAL A 68 5.380 0.679 4.763 1.00 0.00 N ATOM 1035 CA VAL A 68 6.487 -0.265 4.734 1.00 0.00 C ATOM 1036 C VAL A 68 6.269 -1.389 5.737 1.00 0.00 C ATOM 1037 O VAL A 68 6.391 -2.568 5.406 1.00 0.00 O ATOM 1038 CB VAL A 68 7.799 0.460 5.053 1.00 0.00 C ATOM 1039 CG1 VAL A 68 7.849 0.785 6.548 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.982 -0.438 4.687 1.00 0.00 C ATOM 0 H VAL A 68 5.632 1.623 5.055 1.00 0.00 H new ATOM 0 HA VAL A 68 6.541 -0.697 3.735 1.00 0.00 H new ATOM 0 HB VAL A 68 7.854 1.383 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.781 1.301 6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.006 1.425 6.810 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.795 -0.139 7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.915 0.078 4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.929 -1.362 5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.946 -0.671 3.623 1.00 0.00 H new ATOM 1050 N LYS A 69 5.938 -1.016 6.972 1.00 0.00 N ATOM 1051 CA LYS A 69 5.722 -1.999 8.025 1.00 0.00 C ATOM 1052 C LYS A 69 4.592 -2.948 7.644 1.00 0.00 C ATOM 1053 O LYS A 69 4.686 -4.157 7.846 1.00 0.00 O ATOM 1054 CB LYS A 69 5.390 -1.292 9.339 1.00 0.00 C ATOM 1055 CG LYS A 69 3.896 -0.952 9.372 1.00 0.00 C ATOM 1056 CD LYS A 69 3.598 -0.082 10.591 1.00 0.00 C ATOM 1057 CE LYS A 69 3.938 -0.853 11.867 1.00 0.00 C ATOM 1058 NZ LYS A 69 3.220 -0.245 13.023 1.00 0.00 N ATOM 0 H LYS A 69 5.815 -0.046 7.264 1.00 0.00 H new ATOM 0 HA LYS A 69 6.636 -2.579 8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.647 -1.931 10.184 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.983 -0.383 9.435 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.611 -0.428 8.460 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.305 -1.867 9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.180 0.839 10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.547 0.205 10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.654 -1.900 11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.014 -0.831 12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.881 -0.121 13.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.835 0.680 12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.442 -0.870 13.316 1.00 0.00 H new ATOM 1072 N MET A 70 3.515 -2.385 7.104 1.00 0.00 N ATOM 1073 CA MET A 70 2.373 -3.190 6.687 1.00 0.00 C ATOM 1074 C MET A 70 2.754 -4.091 5.515 1.00 0.00 C ATOM 1075 O MET A 70 2.283 -5.222 5.411 1.00 0.00 O ATOM 1076 CB MET A 70 1.214 -2.281 6.279 1.00 0.00 C ATOM 1077 CG MET A 70 0.533 -1.726 7.531 1.00 0.00 C ATOM 1078 SD MET A 70 -0.289 -3.073 8.419 1.00 0.00 S ATOM 1079 CE MET A 70 -1.529 -3.452 7.157 1.00 0.00 C ATOM 0 H MET A 70 3.410 -1.383 6.946 1.00 0.00 H new ATOM 0 HA MET A 70 2.065 -3.814 7.526 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.581 -1.463 5.659 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.495 -2.838 5.678 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.269 -1.247 8.176 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.194 -0.962 7.254 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.480 -3.680 7.638 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.653 -2.592 6.499 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.202 -4.312 6.573 1.00 0.00 H new ATOM 1089 N MET A 71 3.608 -3.578 4.634 1.00 0.00 N ATOM 1090 CA MET A 71 4.040 -4.342 3.469 1.00 0.00 C ATOM 1091 C MET A 71 4.753 -5.619 3.898 1.00 0.00 C ATOM 1092 O MET A 71 4.645 -6.653 3.238 1.00 0.00 O ATOM 1093 CB MET A 71 4.974 -3.493 2.605 1.00 0.00 C ATOM 1094 CG MET A 71 4.146 -2.566 1.712 1.00 0.00 C ATOM 1095 SD MET A 71 3.758 -3.416 0.160 1.00 0.00 S ATOM 1096 CE MET A 71 1.956 -3.273 0.268 1.00 0.00 C ATOM 0 H MET A 71 4.012 -2.644 4.704 1.00 0.00 H new ATOM 0 HA MET A 71 3.158 -4.614 2.888 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.639 -2.906 3.239 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.605 -4.137 1.992 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.227 -2.278 2.221 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.699 -1.649 1.509 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.507 -3.628 -0.660 1.00 0.00 H new ATOM 0 HE2 MET A 71 1.592 -3.875 1.101 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.683 -2.230 0.428 1.00 0.00 H new ATOM 1106 N MET A 72 5.491 -5.535 4.999 1.00 0.00 N ATOM 1107 CA MET A 72 6.215 -6.694 5.510 1.00 0.00 C ATOM 1108 C MET A 72 5.268 -7.668 6.201 1.00 0.00 C ATOM 1109 O MET A 72 5.340 -8.876 5.989 1.00 0.00 O ATOM 1110 CB MET A 72 7.295 -6.240 6.495 1.00 0.00 C ATOM 1111 CG MET A 72 8.514 -5.733 5.723 1.00 0.00 C ATOM 1112 SD MET A 72 9.786 -5.192 6.890 1.00 0.00 S ATOM 1113 CE MET A 72 9.722 -3.427 6.492 1.00 0.00 C ATOM 0 H MET A 72 5.604 -4.685 5.551 1.00 0.00 H new ATOM 0 HA MET A 72 6.680 -7.204 4.667 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.906 -5.451 7.139 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.581 -7.068 7.143 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.906 -6.523 5.082 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.228 -4.907 5.072 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.429 -2.886 7.121 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.983 -3.281 5.444 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.715 -3.050 6.671 1.00 0.00 H new ATOM 1123 N THR A 73 4.380 -7.128 7.025 1.00 0.00 N ATOM 1124 CA THR A 73 3.428 -7.962 7.757 1.00 0.00 C ATOM 1125 C THR A 73 2.548 -8.743 6.786 1.00 0.00 C ATOM 1126 O THR A 73 2.049 -9.820 7.114 1.00 0.00 O ATOM 1127 CB THR A 73 2.548 -7.087 8.654 1.00 0.00 C ATOM 1128 OG1 THR A 73 3.372 -6.236 9.438 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.710 -7.977 9.574 1.00 0.00 C ATOM 0 H THR A 73 4.296 -6.127 7.204 1.00 0.00 H new ATOM 0 HA THR A 73 3.987 -8.666 8.373 1.00 0.00 H new ATOM 0 HB THR A 73 1.885 -6.482 8.035 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.660 -5.471 8.897 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.084 -7.353 10.212 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.078 -8.630 8.972 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.370 -8.583 10.194 1.00 0.00 H new ATOM 1137 N VAL A 74 2.363 -8.195 5.591 1.00 0.00 N ATOM 1138 CA VAL A 74 1.541 -8.848 4.578 1.00 0.00 C ATOM 1139 C VAL A 74 2.177 -10.163 4.138 1.00 0.00 C ATOM 1140 O VAL A 74 1.553 -10.957 3.433 1.00 0.00 O ATOM 1141 CB VAL A 74 1.369 -7.927 3.370 1.00 0.00 C ATOM 1142 CG1 VAL A 74 0.723 -8.706 2.221 1.00 0.00 C ATOM 1143 CG2 VAL A 74 0.474 -6.746 3.752 1.00 0.00 C ATOM 0 H VAL A 74 2.768 -7.305 5.300 1.00 0.00 H new ATOM 0 HA VAL A 74 0.563 -9.060 5.011 1.00 0.00 H new ATOM 0 HB VAL A 74 2.344 -7.557 3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.600 -8.049 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.360 -9.547 1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.252 -9.077 2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.351 -6.089 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.501 -7.116 4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.934 -6.191 4.569 1.00 0.00 H new ATOM 1205 N GLY A 80 -4.372 -8.307 5.347 1.00 0.00 N ATOM 1206 CA GLY A 80 -5.773 -7.917 5.227 1.00 0.00 C ATOM 1207 C GLY A 80 -6.350 -8.370 3.890 1.00 0.00 C ATOM 1208 O GLY A 80 -5.698 -9.090 3.133 1.00 0.00 O ATOM 0 HA2 GLY A 80 -6.348 -8.355 6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.863 -6.835 5.319 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.579 -7.950 3.608 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.234 -8.320 2.360 1.00 0.00 C ATOM 1214 C ASN A 81 -7.771 -7.419 1.219 1.00 0.00 C ATOM 1215 O ASN A 81 -7.469 -7.892 0.123 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.753 -8.211 2.516 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.277 -9.378 3.346 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -9.601 -10.397 3.482 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -11.448 -9.287 3.913 1.00 0.00 N ATOM 0 H ASN A 81 -8.138 -7.357 4.222 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.965 -9.349 2.123 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.011 -7.267 2.997 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.228 -8.209 1.535 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.806 -10.062 4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.006 -8.441 3.798 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.722 -6.117 1.485 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.310 -5.155 0.467 1.00 0.00 C ATOM 1228 C GLY A 82 -5.803 -5.196 0.252 1.00 0.00 C ATOM 1229 O GLY A 82 -5.328 -5.287 -0.881 1.00 0.00 O ATOM 0 H GLY A 82 -7.960 -5.706 2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.820 -5.373 -0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.610 -4.151 0.768 1.00 0.00 H new ATOM 1233 N TRP A 83 -5.052 -5.129 1.347 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.597 -5.174 1.268 1.00 0.00 C ATOM 1235 C TRP A 83 -3.142 -6.449 0.563 1.00 0.00 C ATOM 1236 O TRP A 83 -2.213 -6.424 -0.246 1.00 0.00 O ATOM 1237 CB TRP A 83 -2.996 -5.126 2.674 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.234 -3.776 3.270 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -4.091 -3.515 4.284 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.626 -2.502 2.910 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -4.047 -2.162 4.569 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.159 -1.495 3.749 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.673 -2.126 1.946 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.761 -0.161 3.636 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.270 -0.785 1.829 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.812 0.193 2.672 1.00 0.00 C ATOM 0 H TRP A 83 -5.424 -5.044 2.293 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.254 -4.311 0.697 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.446 -5.897 3.300 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.927 -5.334 2.632 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.708 -4.244 4.788 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.603 -1.712 5.296 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.248 -2.873 1.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.182 0.590 4.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.538 -0.507 1.085 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.497 1.222 2.578 1.00 0.00 H new ATOM 1257 N SER A 84 -3.802 -7.559 0.872 1.00 0.00 N ATOM 1258 CA SER A 84 -3.463 -8.835 0.252 1.00 0.00 C ATOM 1259 C SER A 84 -3.769 -8.803 -1.242 1.00 0.00 C ATOM 1260 O SER A 84 -3.063 -9.416 -2.043 1.00 0.00 O ATOM 1261 CB SER A 84 -4.260 -9.964 0.911 1.00 0.00 C ATOM 1262 OG SER A 84 -5.647 -9.665 0.835 1.00 0.00 O ATOM 0 H SER A 84 -4.569 -7.602 1.543 1.00 0.00 H new ATOM 0 HA SER A 84 -2.396 -9.012 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.052 -10.911 0.412 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.957 -10.079 1.952 1.00 0.00 H new ATOM 0 HG SER A 84 -5.961 -9.346 1.707 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.827 -8.084 -1.611 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.218 -7.982 -3.012 1.00 0.00 C ATOM 1270 C ARG A 85 -4.123 -7.310 -3.831 1.00 0.00 C ATOM 1271 O ARG A 85 -3.796 -7.755 -4.932 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.518 -7.188 -3.134 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.713 -8.122 -2.941 1.00 0.00 C ATOM 1274 CD ARG A 85 -9.004 -7.304 -2.913 1.00 0.00 C ATOM 1275 NE ARG A 85 -10.153 -8.181 -2.717 1.00 0.00 N ATOM 1276 CZ ARG A 85 -11.378 -7.685 -2.572 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -11.568 -6.394 -2.604 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -12.391 -8.490 -2.400 1.00 0.00 N ATOM 0 H ARG A 85 -5.423 -7.568 -0.964 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.372 -8.989 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.541 -6.393 -2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.573 -6.709 -4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.751 -8.852 -3.749 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.604 -8.681 -2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.959 -6.567 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.114 -6.752 -3.847 1.00 0.00 H new ATOM 0 HE ARG A 85 -10.014 -9.191 -2.691 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.776 -5.765 -2.740 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.508 -6.014 -2.493 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.243 -9.499 -2.377 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -13.331 -8.110 -2.289 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.567 -6.233 -3.291 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.496 -5.513 -3.972 1.00 0.00 C ATOM 1294 C LEU A 86 -1.220 -6.350 -4.002 1.00 0.00 C ATOM 1295 O LEU A 86 -0.468 -6.319 -4.975 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.226 -4.183 -3.271 1.00 0.00 C ATOM 1297 CG LEU A 86 -3.077 -3.083 -3.908 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -4.557 -3.381 -3.679 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -2.720 -1.735 -3.278 1.00 0.00 C ATOM 0 H LEU A 86 -3.837 -5.840 -2.389 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.811 -5.319 -4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.458 -4.267 -2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.169 -3.929 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.880 -3.047 -4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.161 -2.596 -4.134 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.809 -4.340 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.759 -3.420 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.326 -0.950 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.915 -1.771 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.664 -1.522 -3.448 1.00 0.00 H new ATOM 1311 N ARG A 87 -0.975 -7.088 -2.918 1.00 0.00 N ATOM 1312 CA ARG A 87 0.210 -7.924 -2.828 1.00 0.00 C ATOM 1313 C ARG A 87 0.015 -9.222 -3.607 1.00 0.00 C ATOM 1314 O ARG A 87 0.975 -9.947 -3.872 1.00 0.00 O ATOM 1315 CB ARG A 87 0.518 -8.236 -1.364 1.00 0.00 C ATOM 1316 CG ARG A 87 1.880 -7.644 -0.987 1.00 0.00 C ATOM 1317 CD ARG A 87 2.992 -8.484 -1.618 1.00 0.00 C ATOM 1318 NE ARG A 87 4.162 -7.655 -1.882 1.00 0.00 N ATOM 1319 CZ ARG A 87 5.111 -8.054 -2.724 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.004 -9.205 -3.330 1.00 0.00 N ATOM 1321 NH2 ARG A 87 6.148 -7.295 -2.946 1.00 0.00 N ATOM 0 H ARG A 87 -1.581 -7.120 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 87 1.049 -7.382 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.260 -7.822 -0.722 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.522 -9.314 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.948 -6.612 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.993 -7.626 0.097 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.261 -9.304 -0.952 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.637 -8.931 -2.547 1.00 0.00 H new ATOM 0 HE ARG A 87 4.254 -6.754 -1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.193 -9.799 -3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.732 -9.511 -3.976 1.00 0.00 H new ATOM 0 HH21 ARG A 87 6.232 -6.395 -2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.875 -7.602 -3.592 1.00 0.00 H new ATOM 1335 N ARG A 88 -1.233 -9.513 -3.955 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.541 -10.712 -4.728 1.00 0.00 C ATOM 1337 C ARG A 88 -1.155 -10.514 -6.192 1.00 0.00 C ATOM 1338 O ARG A 88 -0.535 -11.381 -6.806 1.00 0.00 O ATOM 1339 CB ARG A 88 -3.030 -11.033 -4.625 1.00 0.00 C ATOM 1340 CG ARG A 88 -3.322 -12.340 -5.364 1.00 0.00 C ATOM 1341 CD ARG A 88 -4.810 -12.671 -5.249 1.00 0.00 C ATOM 1342 NE ARG A 88 -5.079 -13.993 -5.802 1.00 0.00 N ATOM 1343 CZ ARG A 88 -6.291 -14.533 -5.733 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -7.266 -13.879 -5.164 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -6.506 -15.719 -6.235 1.00 0.00 N ATOM 0 H ARG A 88 -2.043 -8.941 -3.717 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.966 -11.544 -4.322 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.322 -11.121 -3.579 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.618 -10.221 -5.053 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.039 -12.248 -6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.725 -13.149 -4.943 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.117 -12.637 -4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.398 -11.921 -5.778 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.324 -14.512 -6.250 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.098 -12.953 -4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.196 -14.294 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.744 -16.230 -6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.436 -16.134 -6.182 1.00 0.00 H new