USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 444 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 Single : A 8 ASN : amide:sc=-0.00681 X(o=-0.0068,f=-0.27) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.29) USER MOD Single : A 26 MET CE :methyl 171:sc= -1.91 (180deg=-2.12) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -115:sc= -0.218 (180deg=-1.75!) USER MOD Single : A 48 GLN : amide:sc= -0.0617 K(o=-0.062,f=-1.7!) USER MOD Single : A 57 ASN : amide:sc= -0.0438 X(o=-0.044,f=-0.37) USER MOD Single : A 60 GLN : amide:sc= -0.774 K(o=-0.77,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 66 N ASN A 8 2.050 -10.749 -2.416 1.00 0.00 N ATOM 67 CA ASN A 8 2.918 -9.832 -1.688 1.00 0.00 C ATOM 68 C ASN A 8 2.098 -8.815 -0.900 1.00 0.00 C ATOM 69 O ASN A 8 1.296 -8.073 -1.467 1.00 0.00 O ATOM 70 CB ASN A 8 3.855 -9.106 -2.656 1.00 0.00 C ATOM 71 CG ASN A 8 4.596 -10.063 -3.570 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.025 -10.599 -4.520 1.00 0.00 O ATOM 73 ND2 ASN A 8 5.874 -10.283 -3.285 1.00 0.00 N ATOM 0 HA ASN A 8 3.512 -10.416 -0.985 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.278 -8.405 -3.259 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.576 -8.519 -2.088 1.00 0.00 H new ATOM 0 HD21 ASN A 8 6.424 -10.918 -3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.306 -9.817 -2.487 1.00 0.00 H new ATOM 80 N THR A 9 2.303 -8.787 0.414 1.00 0.00 N ATOM 81 CA THR A 9 1.583 -7.863 1.281 1.00 0.00 C ATOM 82 C THR A 9 2.516 -6.796 1.843 1.00 0.00 C ATOM 83 O THR A 9 3.703 -7.044 2.052 1.00 0.00 O ATOM 84 CB THR A 9 0.904 -8.603 2.449 1.00 0.00 C ATOM 85 OG1 THR A 9 1.864 -9.408 3.143 1.00 0.00 O ATOM 86 CG2 THR A 9 -0.233 -9.480 1.947 1.00 0.00 C ATOM 0 H THR A 9 2.962 -9.394 0.901 1.00 0.00 H new ATOM 0 HA THR A 9 0.818 -7.386 0.669 1.00 0.00 H new ATOM 0 HB THR A 9 0.493 -7.859 3.131 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.425 -9.874 3.885 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.697 -9.992 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.976 -8.860 1.445 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.158 -10.217 1.245 1.00 0.00 H new ATOM 94 N TYR A 10 1.971 -5.610 2.086 1.00 0.00 N ATOM 95 CA TYR A 10 2.755 -4.504 2.623 1.00 0.00 C ATOM 96 C TYR A 10 1.967 -3.742 3.684 1.00 0.00 C ATOM 97 O TYR A 10 0.783 -3.454 3.508 1.00 0.00 O ATOM 98 CB TYR A 10 3.170 -3.553 1.499 1.00 0.00 C ATOM 99 CG TYR A 10 4.233 -4.121 0.586 1.00 0.00 C ATOM 100 CD1 TYR A 10 3.944 -5.163 -0.286 1.00 0.00 C ATOM 101 CD2 TYR A 10 5.528 -3.616 0.597 1.00 0.00 C ATOM 102 CE1 TYR A 10 4.913 -5.685 -1.121 1.00 0.00 C ATOM 103 CE2 TYR A 10 6.502 -4.131 -0.236 1.00 0.00 C ATOM 104 CZ TYR A 10 6.190 -5.166 -1.092 1.00 0.00 C ATOM 105 OH TYR A 10 7.158 -5.683 -1.923 1.00 0.00 O ATOM 0 H TYR A 10 0.989 -5.389 1.920 1.00 0.00 H new ATOM 0 HA TYR A 10 3.649 -4.918 3.089 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.291 -3.300 0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.537 -2.625 1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 10 2.945 -5.572 -0.312 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.777 -2.807 1.268 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.671 -6.495 -1.793 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.503 -3.725 -0.217 1.00 0.00 H new ATOM 0 HH TYR A 10 8.002 -5.205 -1.779 1.00 0.00 H new ATOM 115 N VAL A 11 2.634 -3.417 4.787 1.00 0.00 N ATOM 116 CA VAL A 11 1.999 -2.687 5.877 1.00 0.00 C ATOM 117 C VAL A 11 2.353 -1.205 5.826 1.00 0.00 C ATOM 118 O VAL A 11 3.481 -0.837 5.501 1.00 0.00 O ATOM 119 CB VAL A 11 2.411 -3.254 7.248 1.00 0.00 C ATOM 120 CG1 VAL A 11 3.911 -3.107 7.459 1.00 0.00 C ATOM 121 CG2 VAL A 11 1.638 -2.567 8.364 1.00 0.00 C ATOM 0 H VAL A 11 3.614 -3.648 4.949 1.00 0.00 H new ATOM 0 HA VAL A 11 0.923 -2.805 5.752 1.00 0.00 H new ATOM 0 HB VAL A 11 2.168 -4.316 7.269 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.183 -3.513 8.433 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.443 -3.650 6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.183 -2.052 7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.942 -2.981 9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.847 -1.497 8.347 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.570 -2.730 8.221 1.00 0.00 H new ATOM 131 N ALA A 12 1.380 -0.358 6.149 1.00 0.00 N ATOM 132 CA ALA A 12 1.589 1.084 6.142 1.00 0.00 C ATOM 133 C ALA A 12 2.291 1.543 7.416 1.00 0.00 C ATOM 134 O ALA A 12 1.827 1.273 8.524 1.00 0.00 O ATOM 135 CB ALA A 12 0.262 1.809 5.978 1.00 0.00 C ATOM 0 H ALA A 12 0.440 -0.647 6.419 1.00 0.00 H new ATOM 0 HA ALA A 12 2.231 1.329 5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.433 2.885 5.975 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.201 1.512 5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.399 1.550 6.805 1.00 0.00 H new ATOM 141 N LEU A 13 3.412 2.237 7.251 1.00 0.00 N ATOM 142 CA LEU A 13 4.179 2.733 8.388 1.00 0.00 C ATOM 143 C LEU A 13 3.512 3.962 9.000 1.00 0.00 C ATOM 144 O LEU A 13 3.508 4.136 10.219 1.00 0.00 O ATOM 145 CB LEU A 13 5.606 3.075 7.957 1.00 0.00 C ATOM 146 CG LEU A 13 6.461 1.902 7.477 1.00 0.00 C ATOM 147 CD1 LEU A 13 7.732 2.405 6.811 1.00 0.00 C ATOM 148 CD2 LEU A 13 6.795 0.976 8.638 1.00 0.00 C ATOM 0 H LEU A 13 3.810 2.469 6.341 1.00 0.00 H new ATOM 0 HA LEU A 13 4.213 1.947 9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.555 3.813 7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.114 3.549 8.797 1.00 0.00 H new ATOM 0 HG LEU A 13 5.889 1.337 6.741 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.328 1.556 6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.472 3.027 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.308 2.993 7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.404 0.147 8.278 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.348 1.529 9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.873 0.588 9.071 1.00 0.00 H new ATOM 160 N TYR A 14 2.949 4.809 8.146 1.00 0.00 N ATOM 161 CA TYR A 14 2.279 6.022 8.602 1.00 0.00 C ATOM 162 C TYR A 14 0.998 6.267 7.811 1.00 0.00 C ATOM 163 O TYR A 14 0.748 5.620 6.794 1.00 0.00 O ATOM 164 CB TYR A 14 3.213 7.226 8.469 1.00 0.00 C ATOM 165 CG TYR A 14 4.675 6.880 8.638 1.00 0.00 C ATOM 166 CD1 TYR A 14 5.439 6.457 7.556 1.00 0.00 C ATOM 167 CD2 TYR A 14 5.293 6.975 9.878 1.00 0.00 C ATOM 168 CE1 TYR A 14 6.775 6.139 7.706 1.00 0.00 C ATOM 169 CE2 TYR A 14 6.629 6.660 10.037 1.00 0.00 C ATOM 170 CZ TYR A 14 7.365 6.243 8.948 1.00 0.00 C ATOM 171 OH TYR A 14 8.696 5.928 9.102 1.00 0.00 O ATOM 0 H TYR A 14 2.943 4.679 7.134 1.00 0.00 H new ATOM 0 HA TYR A 14 2.016 5.889 9.651 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.067 7.682 7.490 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.937 7.973 9.213 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.980 6.376 6.582 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.719 7.301 10.733 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.354 5.811 6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.094 6.740 11.008 1.00 0.00 H new ATOM 0 HH TYR A 14 8.956 6.056 10.038 1.00 0.00 H new ATOM 181 N LYS A 15 0.189 7.208 8.286 1.00 0.00 N ATOM 182 CA LYS A 15 -1.066 7.543 7.624 1.00 0.00 C ATOM 183 C LYS A 15 -0.820 8.423 6.402 1.00 0.00 C ATOM 184 O LYS A 15 0.000 9.340 6.441 1.00 0.00 O ATOM 185 CB LYS A 15 -2.006 8.257 8.598 1.00 0.00 C ATOM 186 CG LYS A 15 -3.161 8.970 7.917 1.00 0.00 C ATOM 187 CD LYS A 15 -4.106 9.595 8.931 1.00 0.00 C ATOM 188 CE LYS A 15 -4.939 10.703 8.306 1.00 0.00 C ATOM 189 NZ LYS A 15 -4.270 12.029 8.416 1.00 0.00 N ATOM 0 H LYS A 15 0.380 7.752 9.127 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.531 6.614 7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.405 7.529 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.433 8.982 9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.773 9.744 7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.710 8.263 7.294 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.765 8.828 9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.532 9.997 9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.120 10.473 7.256 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.912 10.746 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.869 12.758 7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.120 12.260 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.352 11.996 7.928 1.00 0.00 H new ATOM 203 N PHE A 16 -1.535 8.138 5.319 1.00 0.00 N ATOM 204 CA PHE A 16 -1.394 8.904 4.087 1.00 0.00 C ATOM 205 C PHE A 16 -2.638 9.748 3.825 1.00 0.00 C ATOM 206 O PHE A 16 -3.759 9.330 4.118 1.00 0.00 O ATOM 207 CB PHE A 16 -1.142 7.966 2.904 1.00 0.00 C ATOM 208 CG PHE A 16 -0.819 8.686 1.626 1.00 0.00 C ATOM 209 CD1 PHE A 16 -1.830 9.100 0.774 1.00 0.00 C ATOM 210 CD2 PHE A 16 0.496 8.949 1.277 1.00 0.00 C ATOM 211 CE1 PHE A 16 -1.535 9.762 -0.403 1.00 0.00 C ATOM 212 CE2 PHE A 16 0.797 9.611 0.102 1.00 0.00 C ATOM 213 CZ PHE A 16 -0.221 10.019 -0.739 1.00 0.00 C ATOM 0 H PHE A 16 -2.218 7.382 5.270 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.540 9.572 4.200 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.319 7.295 3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.024 7.345 2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.860 8.903 1.032 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.295 8.633 1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.332 10.078 -1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.826 9.809 -0.159 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.011 10.538 -1.657 1.00 0.00 H new ATOM 223 N VAL A 17 -2.433 10.939 3.272 1.00 0.00 N ATOM 224 CA VAL A 17 -3.536 11.843 2.970 1.00 0.00 C ATOM 225 C VAL A 17 -3.613 12.137 1.476 1.00 0.00 C ATOM 226 O VAL A 17 -2.913 13.004 0.953 1.00 0.00 O ATOM 227 CB VAL A 17 -3.400 13.171 3.738 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.573 14.090 3.428 1.00 0.00 C ATOM 229 CG2 VAL A 17 -3.295 12.914 5.233 1.00 0.00 C ATOM 0 H VAL A 17 -1.512 11.301 3.024 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.451 11.342 3.286 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.485 13.666 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.460 15.023 3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.597 14.301 2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.503 13.605 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.200 13.864 5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.191 12.397 5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.419 12.297 5.436 1.00 0.00 H new ATOM 239 N PRO A 18 -4.484 11.400 0.772 1.00 0.00 N ATOM 240 CA PRO A 18 -4.673 11.564 -0.672 1.00 0.00 C ATOM 241 C PRO A 18 -5.357 12.882 -1.021 1.00 0.00 C ATOM 242 O PRO A 18 -6.529 13.085 -0.704 1.00 0.00 O ATOM 243 CB PRO A 18 -5.568 10.381 -1.049 1.00 0.00 C ATOM 244 CG PRO A 18 -6.299 10.044 0.204 1.00 0.00 C ATOM 245 CD PRO A 18 -5.350 10.349 1.331 1.00 0.00 C ATOM 0 HA PRO A 18 -3.724 11.586 -1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.258 10.646 -1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.978 9.535 -1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.213 10.632 0.293 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.593 8.994 0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.879 10.694 2.219 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.777 9.469 1.623 1.00 0.00 H new ATOM 253 N GLN A 19 -4.618 13.772 -1.675 1.00 0.00 N ATOM 254 CA GLN A 19 -5.155 15.070 -2.066 1.00 0.00 C ATOM 255 C GLN A 19 -6.279 14.910 -3.084 1.00 0.00 C ATOM 256 O GLN A 19 -7.135 15.784 -3.219 1.00 0.00 O ATOM 257 CB GLN A 19 -4.046 15.950 -2.647 1.00 0.00 C ATOM 258 CG GLN A 19 -4.306 17.439 -2.489 1.00 0.00 C ATOM 259 CD GLN A 19 -3.358 18.287 -3.313 1.00 0.00 C ATOM 260 OE1 GLN A 19 -2.264 18.631 -2.864 1.00 0.00 O ATOM 261 NE2 GLN A 19 -3.772 18.630 -4.528 1.00 0.00 N ATOM 0 H GLN A 19 -3.647 13.618 -1.945 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.562 15.550 -1.176 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.103 15.701 -2.160 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -3.929 15.720 -3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.332 17.658 -2.783 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.211 17.711 -1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.686 18.323 -4.861 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.176 19.200 -5.128 1.00 0.00 H new ATOM 270 N GLU A 20 -6.269 13.789 -3.798 1.00 0.00 N ATOM 271 CA GLU A 20 -7.289 13.516 -4.804 1.00 0.00 C ATOM 272 C GLU A 20 -7.602 12.024 -4.871 1.00 0.00 C ATOM 273 O GLU A 20 -6.769 11.188 -4.525 1.00 0.00 O ATOM 274 CB GLU A 20 -6.828 14.013 -6.176 1.00 0.00 C ATOM 275 CG GLU A 20 -6.493 15.495 -6.206 1.00 0.00 C ATOM 276 CD GLU A 20 -7.729 16.372 -6.241 1.00 0.00 C ATOM 277 OE1 GLU A 20 -8.765 15.917 -6.768 1.00 0.00 O ATOM 278 OE2 GLU A 20 -7.660 17.514 -5.741 1.00 0.00 O ATOM 0 H GLU A 20 -5.567 13.056 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.197 14.047 -4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.950 13.444 -6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -7.610 13.811 -6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.898 15.747 -5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.877 15.707 -7.080 1.00 0.00 H new ATOM 285 N ASN A 21 -8.811 11.699 -5.317 1.00 0.00 N ATOM 286 CA ASN A 21 -9.237 10.308 -5.428 1.00 0.00 C ATOM 287 C ASN A 21 -8.097 9.430 -5.936 1.00 0.00 C ATOM 288 O ASN A 21 -7.809 8.379 -5.364 1.00 0.00 O ATOM 289 CB ASN A 21 -10.440 10.195 -6.366 1.00 0.00 C ATOM 290 CG ASN A 21 -11.433 11.324 -6.172 1.00 0.00 C ATOM 291 OD1 ASN A 21 -12.245 11.300 -5.247 1.00 0.00 O ATOM 292 ND2 ASN A 21 -11.372 12.322 -7.047 1.00 0.00 N ATOM 0 H ASN A 21 -9.513 12.380 -5.607 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.525 9.961 -4.436 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.093 10.194 -7.399 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.941 9.242 -6.197 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.015 13.110 -6.967 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.682 12.300 -7.798 1.00 0.00 H new ATOM 299 N GLU A 22 -7.453 9.869 -7.013 1.00 0.00 N ATOM 300 CA GLU A 22 -6.346 9.122 -7.597 1.00 0.00 C ATOM 301 C GLU A 22 -5.501 8.463 -6.511 1.00 0.00 C ATOM 302 O GLU A 22 -5.211 7.268 -6.574 1.00 0.00 O ATOM 303 CB GLU A 22 -5.472 10.045 -8.449 1.00 0.00 C ATOM 304 CG GLU A 22 -6.208 10.668 -9.623 1.00 0.00 C ATOM 305 CD GLU A 22 -5.541 11.933 -10.125 1.00 0.00 C ATOM 306 OE1 GLU A 22 -4.294 11.962 -10.190 1.00 0.00 O ATOM 307 OE2 GLU A 22 -6.266 12.896 -10.454 1.00 0.00 O ATOM 0 H GLU A 22 -7.679 10.737 -7.498 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.764 8.341 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.074 10.839 -7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.619 9.479 -8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.265 9.945 -10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.232 10.895 -9.326 1.00 0.00 H new ATOM 314 N ASP A 23 -5.108 9.251 -5.516 1.00 0.00 N ATOM 315 CA ASP A 23 -4.296 8.745 -4.415 1.00 0.00 C ATOM 316 C ASP A 23 -5.122 7.847 -3.499 1.00 0.00 C ATOM 317 O ASP A 23 -6.353 7.884 -3.520 1.00 0.00 O ATOM 318 CB ASP A 23 -3.706 9.907 -3.613 1.00 0.00 C ATOM 319 CG ASP A 23 -2.826 10.806 -4.459 1.00 0.00 C ATOM 320 OD1 ASP A 23 -3.272 11.215 -5.552 1.00 0.00 O ATOM 321 OD2 ASP A 23 -1.693 11.102 -4.028 1.00 0.00 O ATOM 0 H ASP A 23 -5.338 10.242 -5.449 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.483 8.154 -4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.516 10.496 -3.183 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.123 9.512 -2.781 1.00 0.00 H new ATOM 326 N LEU A 24 -4.437 7.039 -2.698 1.00 0.00 N ATOM 327 CA LEU A 24 -5.107 6.129 -1.775 1.00 0.00 C ATOM 328 C LEU A 24 -4.840 6.528 -0.327 1.00 0.00 C ATOM 329 O LEU A 24 -3.746 6.980 0.010 1.00 0.00 O ATOM 330 CB LEU A 24 -4.639 4.692 -2.014 1.00 0.00 C ATOM 331 CG LEU A 24 -4.876 3.709 -0.868 1.00 0.00 C ATOM 332 CD1 LEU A 24 -6.336 3.286 -0.821 1.00 0.00 C ATOM 333 CD2 LEU A 24 -3.972 2.494 -1.011 1.00 0.00 C ATOM 0 H LEU A 24 -3.418 6.995 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.180 6.191 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.142 4.311 -2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.572 4.711 -2.235 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.633 4.209 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.486 2.586 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.964 4.164 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.606 2.805 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.155 1.805 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.183 1.993 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.930 2.812 -0.994 1.00 0.00 H new ATOM 345 N GLU A 25 -5.846 6.356 0.524 1.00 0.00 N ATOM 346 CA GLU A 25 -5.718 6.697 1.936 1.00 0.00 C ATOM 347 C GLU A 25 -5.379 5.462 2.766 1.00 0.00 C ATOM 348 O GLU A 25 -6.094 4.461 2.729 1.00 0.00 O ATOM 349 CB GLU A 25 -7.013 7.330 2.450 1.00 0.00 C ATOM 350 CG GLU A 25 -6.820 8.193 3.686 1.00 0.00 C ATOM 351 CD GLU A 25 -7.984 9.135 3.927 1.00 0.00 C ATOM 352 OE1 GLU A 25 -9.120 8.785 3.547 1.00 0.00 O ATOM 353 OE2 GLU A 25 -7.757 10.223 4.497 1.00 0.00 O ATOM 0 H GLU A 25 -6.758 5.983 0.261 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.905 7.416 2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.450 7.938 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.729 6.540 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.691 7.550 4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.904 8.773 3.580 1.00 0.00 H new ATOM 360 N MET A 26 -4.283 5.541 3.513 1.00 0.00 N ATOM 361 CA MET A 26 -3.849 4.430 4.353 1.00 0.00 C ATOM 362 C MET A 26 -3.505 4.913 5.758 1.00 0.00 C ATOM 363 O MET A 26 -3.256 6.100 5.973 1.00 0.00 O ATOM 364 CB MET A 26 -2.638 3.735 3.729 1.00 0.00 C ATOM 365 CG MET A 26 -1.772 4.660 2.889 1.00 0.00 C ATOM 366 SD MET A 26 -0.439 3.786 2.044 1.00 0.00 S ATOM 367 CE MET A 26 0.968 4.797 2.498 1.00 0.00 C ATOM 0 H MET A 26 -3.679 6.362 3.554 1.00 0.00 H new ATOM 0 HA MET A 26 -4.671 3.718 4.424 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.029 3.302 4.523 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.984 2.910 3.106 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.396 5.165 2.151 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.346 5.433 3.529 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.888 4.301 2.187 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.894 5.766 2.005 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.980 4.940 3.579 1.00 0.00 H new ATOM 377 N ARG A 27 -3.494 3.987 6.711 1.00 0.00 N ATOM 378 CA ARG A 27 -3.182 4.319 8.096 1.00 0.00 C ATOM 379 C ARG A 27 -2.096 3.398 8.645 1.00 0.00 C ATOM 380 O ARG A 27 -1.832 2.321 8.109 1.00 0.00 O ATOM 381 CB ARG A 27 -4.438 4.217 8.963 1.00 0.00 C ATOM 382 CG ARG A 27 -5.231 5.512 9.040 1.00 0.00 C ATOM 383 CD ARG A 27 -6.543 5.318 9.786 1.00 0.00 C ATOM 384 NE ARG A 27 -7.239 6.583 10.006 1.00 0.00 N ATOM 385 CZ ARG A 27 -8.510 6.666 10.384 1.00 0.00 C ATOM 386 NH1 ARG A 27 -9.219 5.563 10.582 1.00 0.00 N ATOM 387 NH2 ARG A 27 -9.073 7.854 10.564 1.00 0.00 N ATOM 0 H ARG A 27 -3.698 3.001 6.549 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.813 5.344 8.123 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.080 3.430 8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.151 3.916 9.970 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.636 6.275 9.541 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.434 5.876 8.033 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.186 4.644 9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.347 4.840 10.746 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.721 7.450 9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.789 4.649 10.444 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.195 5.629 10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.530 8.704 10.412 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -10.049 7.917 10.854 1.00 0.00 H new ATOM 401 N PRO A 28 -1.451 3.830 9.739 1.00 0.00 N ATOM 402 CA PRO A 28 -0.384 3.059 10.384 1.00 0.00 C ATOM 403 C PRO A 28 -0.910 1.803 11.070 1.00 0.00 C ATOM 404 O PRO A 28 -1.373 1.853 12.209 1.00 0.00 O ATOM 405 CB PRO A 28 0.183 4.035 11.417 1.00 0.00 C ATOM 406 CG PRO A 28 -0.939 4.970 11.712 1.00 0.00 C ATOM 407 CD PRO A 28 -1.714 5.103 10.430 1.00 0.00 C ATOM 0 HA PRO A 28 0.353 2.702 9.665 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.510 3.513 12.316 1.00 0.00 H new ATOM 0 HB3 PRO A 28 1.049 4.568 11.024 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.570 4.582 12.511 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.564 5.938 12.043 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.778 5.246 10.617 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.376 5.957 9.843 1.00 0.00 H new ATOM 415 N GLY A 29 -0.834 0.675 10.369 1.00 0.00 N ATOM 416 CA GLY A 29 -1.306 -0.578 10.927 1.00 0.00 C ATOM 417 C GLY A 29 -2.303 -1.277 10.024 1.00 0.00 C ATOM 418 O GLY A 29 -2.906 -2.278 10.411 1.00 0.00 O ATOM 0 H GLY A 29 -0.454 0.607 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.456 -1.237 11.103 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.768 -0.389 11.896 1.00 0.00 H new ATOM 422 N ASP A 30 -2.479 -0.747 8.818 1.00 0.00 N ATOM 423 CA ASP A 30 -3.410 -1.326 7.857 1.00 0.00 C ATOM 424 C ASP A 30 -2.679 -2.224 6.864 1.00 0.00 C ATOM 425 O ASP A 30 -1.508 -1.999 6.555 1.00 0.00 O ATOM 426 CB ASP A 30 -4.158 -0.221 7.110 1.00 0.00 C ATOM 427 CG ASP A 30 -5.375 0.270 7.869 1.00 0.00 C ATOM 428 OD1 ASP A 30 -5.377 0.175 9.114 1.00 0.00 O ATOM 429 OD2 ASP A 30 -6.326 0.749 7.217 1.00 0.00 O ATOM 0 H ASP A 30 -1.989 0.083 8.483 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.129 -1.933 8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.482 0.616 6.933 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.468 -0.592 6.133 1.00 0.00 H new ATOM 434 N ILE A 31 -3.375 -3.241 6.369 1.00 0.00 N ATOM 435 CA ILE A 31 -2.792 -4.172 5.412 1.00 0.00 C ATOM 436 C ILE A 31 -3.114 -3.761 3.979 1.00 0.00 C ATOM 437 O ILE A 31 -4.264 -3.468 3.651 1.00 0.00 O ATOM 438 CB ILE A 31 -3.293 -5.609 5.646 1.00 0.00 C ATOM 439 CG1 ILE A 31 -3.087 -6.012 7.108 1.00 0.00 C ATOM 440 CG2 ILE A 31 -2.576 -6.578 4.718 1.00 0.00 C ATOM 441 CD1 ILE A 31 -1.697 -6.531 7.402 1.00 0.00 C ATOM 0 H ILE A 31 -4.344 -3.441 6.615 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.713 -4.143 5.563 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.360 -5.647 5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.287 -5.151 7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.816 -6.779 7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.941 -7.590 4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.768 -6.299 3.682 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.504 -6.540 4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.624 -6.797 8.456 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.501 -7.412 6.791 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.964 -5.758 7.171 1.00 0.00 H new ATOM 453 N ILE A 32 -2.092 -3.743 3.130 1.00 0.00 N ATOM 454 CA ILE A 32 -2.267 -3.371 1.732 1.00 0.00 C ATOM 455 C ILE A 32 -1.801 -4.487 0.803 1.00 0.00 C ATOM 456 O ILE A 32 -0.749 -5.091 1.019 1.00 0.00 O ATOM 457 CB ILE A 32 -1.498 -2.081 1.392 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.973 -0.929 2.281 1.00 0.00 C ATOM 459 CG2 ILE A 32 -1.675 -1.731 -0.078 1.00 0.00 C ATOM 460 CD1 ILE A 32 -0.906 0.111 2.542 1.00 0.00 C ATOM 0 H ILE A 32 -1.134 -3.982 3.386 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.333 -3.199 1.583 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.437 -2.247 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.831 -0.448 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.316 -1.333 3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.126 -0.817 -0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.293 -2.545 -0.694 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.733 -1.580 -0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.312 0.897 3.178 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.056 -0.356 3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.579 0.543 1.596 1.00 0.00 H new ATOM 472 N THR A 33 -2.589 -4.756 -0.233 1.00 0.00 N ATOM 473 CA THR A 33 -2.258 -5.799 -1.195 1.00 0.00 C ATOM 474 C THR A 33 -1.622 -5.209 -2.449 1.00 0.00 C ATOM 475 O THR A 33 -2.297 -4.570 -3.257 1.00 0.00 O ATOM 476 CB THR A 33 -3.505 -6.609 -1.598 1.00 0.00 C ATOM 477 OG1 THR A 33 -4.115 -7.179 -0.436 1.00 0.00 O ATOM 478 CG2 THR A 33 -3.139 -7.713 -2.579 1.00 0.00 C ATOM 0 H THR A 33 -3.462 -4.265 -0.427 1.00 0.00 H new ATOM 0 HA THR A 33 -1.545 -6.463 -0.707 1.00 0.00 H new ATOM 0 HB THR A 33 -4.210 -5.933 -2.083 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.908 -7.691 -0.700 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.035 -8.271 -2.849 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.702 -7.273 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.418 -8.386 -2.116 1.00 0.00 H new ATOM 486 N LEU A 34 -0.321 -5.426 -2.605 1.00 0.00 N ATOM 487 CA LEU A 34 0.406 -4.915 -3.762 1.00 0.00 C ATOM 488 C LEU A 34 -0.012 -5.645 -5.034 1.00 0.00 C ATOM 489 O LEU A 34 0.133 -6.864 -5.139 1.00 0.00 O ATOM 490 CB LEU A 34 1.914 -5.063 -3.547 1.00 0.00 C ATOM 491 CG LEU A 34 2.809 -4.299 -4.523 1.00 0.00 C ATOM 492 CD1 LEU A 34 2.808 -2.814 -4.196 1.00 0.00 C ATOM 493 CD2 LEU A 34 4.226 -4.853 -4.493 1.00 0.00 C ATOM 0 H LEU A 34 0.252 -5.952 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 34 0.163 -3.859 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.150 -4.734 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.167 -6.122 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 34 2.411 -4.429 -5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.450 -2.286 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.792 -2.426 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.181 -2.664 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.849 -4.297 -5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.634 -4.754 -3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.211 -5.905 -4.776 1.00 0.00 H new ATOM 505 N LEU A 35 -0.529 -4.893 -5.999 1.00 0.00 N ATOM 506 CA LEU A 35 -0.967 -5.468 -7.266 1.00 0.00 C ATOM 507 C LEU A 35 0.038 -5.172 -8.374 1.00 0.00 C ATOM 508 O LEU A 35 0.453 -6.071 -9.105 1.00 0.00 O ATOM 509 CB LEU A 35 -2.342 -4.919 -7.650 1.00 0.00 C ATOM 510 CG LEU A 35 -3.334 -4.729 -6.501 1.00 0.00 C ATOM 511 CD1 LEU A 35 -4.336 -3.636 -6.836 1.00 0.00 C ATOM 512 CD2 LEU A 35 -4.050 -6.036 -6.193 1.00 0.00 C ATOM 0 H LEU A 35 -0.655 -3.883 -5.928 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.036 -6.549 -7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.202 -3.958 -8.145 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.789 -5.593 -8.381 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.779 -4.424 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.033 -3.515 -6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.808 -2.698 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.886 -3.910 -7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.752 -5.882 -5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.593 -6.371 -7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.319 -6.793 -5.908 1.00 0.00 H new ATOM 524 N GLU A 36 0.427 -3.906 -8.491 1.00 0.00 N ATOM 525 CA GLU A 36 1.386 -3.493 -9.510 1.00 0.00 C ATOM 526 C GLU A 36 2.671 -2.977 -8.870 1.00 0.00 C ATOM 527 O GLU A 36 2.634 -2.226 -7.895 1.00 0.00 O ATOM 528 CB GLU A 36 0.778 -2.411 -10.404 1.00 0.00 C ATOM 529 CG GLU A 36 1.323 -2.416 -11.822 1.00 0.00 C ATOM 530 CD GLU A 36 0.663 -3.464 -12.697 1.00 0.00 C ATOM 531 OE1 GLU A 36 0.997 -4.658 -12.546 1.00 0.00 O ATOM 532 OE2 GLU A 36 -0.186 -3.090 -13.533 1.00 0.00 O ATOM 0 H GLU A 36 0.093 -3.149 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 36 1.629 -4.364 -10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.303 -2.546 -10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.963 -1.435 -9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.176 -1.432 -12.267 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.398 -2.596 -11.794 1.00 0.00 H new ATOM 539 N ASP A 37 3.807 -3.386 -9.425 1.00 0.00 N ATOM 540 CA ASP A 37 5.104 -2.965 -8.909 1.00 0.00 C ATOM 541 C ASP A 37 6.022 -2.523 -10.045 1.00 0.00 C ATOM 542 O ASP A 37 7.246 -2.596 -9.931 1.00 0.00 O ATOM 543 CB ASP A 37 5.758 -4.103 -8.123 1.00 0.00 C ATOM 544 CG ASP A 37 5.908 -5.366 -8.947 1.00 0.00 C ATOM 545 OD1 ASP A 37 4.944 -6.159 -9.000 1.00 0.00 O ATOM 546 OD2 ASP A 37 6.989 -5.561 -9.541 1.00 0.00 O ATOM 0 H ASP A 37 3.856 -4.008 -10.232 1.00 0.00 H new ATOM 0 HA ASP A 37 4.945 -2.118 -8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.739 -3.782 -7.774 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.160 -4.319 -7.238 1.00 0.00 H new ATOM 551 N SER A 38 5.423 -2.066 -11.140 1.00 0.00 N ATOM 552 CA SER A 38 6.187 -1.617 -12.298 1.00 0.00 C ATOM 553 C SER A 38 7.127 -0.477 -11.920 1.00 0.00 C ATOM 554 O SER A 38 8.297 -0.471 -12.299 1.00 0.00 O ATOM 555 CB SER A 38 5.242 -1.165 -13.414 1.00 0.00 C ATOM 556 OG SER A 38 4.800 -2.268 -14.185 1.00 0.00 O ATOM 0 H SER A 38 4.411 -1.997 -11.250 1.00 0.00 H new ATOM 0 HA SER A 38 6.786 -2.455 -12.655 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.383 -0.652 -12.982 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.751 -0.448 -14.058 1.00 0.00 H new ATOM 0 HG SER A 38 4.196 -1.953 -14.890 1.00 0.00 H new ATOM 562 N ASN A 39 6.606 0.488 -11.169 1.00 0.00 N ATOM 563 CA ASN A 39 7.397 1.635 -10.739 1.00 0.00 C ATOM 564 C ASN A 39 8.271 1.274 -9.541 1.00 0.00 C ATOM 565 O ASN A 39 8.172 0.174 -8.997 1.00 0.00 O ATOM 566 CB ASN A 39 6.482 2.807 -10.381 1.00 0.00 C ATOM 567 CG ASN A 39 5.542 3.173 -11.513 1.00 0.00 C ATOM 568 OD1 ASN A 39 5.926 3.157 -12.683 1.00 0.00 O ATOM 569 ND2 ASN A 39 4.303 3.506 -11.170 1.00 0.00 N ATOM 0 H ASN A 39 5.639 0.498 -10.846 1.00 0.00 H new ATOM 0 HA ASN A 39 8.045 1.928 -11.565 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.899 2.552 -9.496 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.090 3.674 -10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.626 3.762 -11.889 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.028 3.506 -10.188 1.00 0.00 H new ATOM 576 N GLU A 40 9.126 2.208 -9.136 1.00 0.00 N ATOM 577 CA GLU A 40 10.018 1.987 -8.004 1.00 0.00 C ATOM 578 C GLU A 40 9.662 2.913 -6.843 1.00 0.00 C ATOM 579 O GLU A 40 9.705 2.512 -5.680 1.00 0.00 O ATOM 580 CB GLU A 40 11.473 2.210 -8.420 1.00 0.00 C ATOM 581 CG GLU A 40 11.930 1.299 -9.547 1.00 0.00 C ATOM 582 CD GLU A 40 11.288 1.648 -10.876 1.00 0.00 C ATOM 583 OE1 GLU A 40 11.421 2.810 -11.313 1.00 0.00 O ATOM 584 OE2 GLU A 40 10.652 0.758 -11.479 1.00 0.00 O ATOM 0 H GLU A 40 9.220 3.124 -9.575 1.00 0.00 H new ATOM 0 HA GLU A 40 9.897 0.955 -7.675 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.599 3.248 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.117 2.055 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 40 13.014 1.362 -9.644 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.692 0.266 -9.293 1.00 0.00 H new ATOM 591 N ASP A 41 9.311 4.152 -7.169 1.00 0.00 N ATOM 592 CA ASP A 41 8.947 5.135 -6.155 1.00 0.00 C ATOM 593 C ASP A 41 7.575 4.825 -5.565 1.00 0.00 C ATOM 594 O ASP A 41 7.463 4.420 -4.408 1.00 0.00 O ATOM 595 CB ASP A 41 8.953 6.542 -6.753 1.00 0.00 C ATOM 596 CG ASP A 41 10.214 6.830 -7.545 1.00 0.00 C ATOM 597 OD1 ASP A 41 11.229 7.213 -6.926 1.00 0.00 O ATOM 598 OD2 ASP A 41 10.186 6.670 -8.783 1.00 0.00 O ATOM 0 H ASP A 41 9.271 4.500 -8.127 1.00 0.00 H new ATOM 0 HA ASP A 41 9.686 5.086 -5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.085 6.662 -7.401 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.856 7.274 -5.952 1.00 0.00 H new ATOM 603 N TRP A 42 6.535 5.018 -6.368 1.00 0.00 N ATOM 604 CA TRP A 42 5.169 4.760 -5.925 1.00 0.00 C ATOM 605 C TRP A 42 4.677 3.410 -6.435 1.00 0.00 C ATOM 606 O TRP A 42 5.049 2.976 -7.526 1.00 0.00 O ATOM 607 CB TRP A 42 4.236 5.872 -6.408 1.00 0.00 C ATOM 608 CG TRP A 42 4.559 7.214 -5.822 1.00 0.00 C ATOM 609 CD1 TRP A 42 5.780 7.825 -5.798 1.00 0.00 C ATOM 610 CD2 TRP A 42 3.647 8.109 -5.176 1.00 0.00 C ATOM 611 NE1 TRP A 42 5.683 9.046 -5.175 1.00 0.00 N ATOM 612 CE2 TRP A 42 4.384 9.244 -4.785 1.00 0.00 C ATOM 613 CE3 TRP A 42 2.280 8.063 -4.892 1.00 0.00 C ATOM 614 CZ2 TRP A 42 3.798 10.320 -4.125 1.00 0.00 C ATOM 615 CZ3 TRP A 42 1.700 9.132 -4.236 1.00 0.00 C ATOM 616 CH2 TRP A 42 2.458 10.249 -3.859 1.00 0.00 C ATOM 0 H TRP A 42 6.611 5.352 -7.329 1.00 0.00 H new ATOM 0 HA TRP A 42 5.165 4.739 -4.835 1.00 0.00 H new ATOM 0 HB2 TRP A 42 4.290 5.935 -7.495 1.00 0.00 H new ATOM 0 HB3 TRP A 42 3.209 5.610 -6.155 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.689 7.410 -6.208 1.00 0.00 H new ATOM 0 HE1 TRP A 42 6.453 9.699 -5.027 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.687 7.207 -5.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.381 11.181 -3.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.644 9.106 -4.010 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.975 11.069 -3.349 1.00 0.00 H new ATOM 627 N TRP A 43 3.841 2.752 -5.641 1.00 0.00 N ATOM 628 CA TRP A 43 3.298 1.450 -6.014 1.00 0.00 C ATOM 629 C TRP A 43 1.782 1.426 -5.851 1.00 0.00 C ATOM 630 O TRP A 43 1.216 2.213 -5.092 1.00 0.00 O ATOM 631 CB TRP A 43 3.933 0.348 -5.165 1.00 0.00 C ATOM 632 CG TRP A 43 5.397 0.163 -5.429 1.00 0.00 C ATOM 633 CD1 TRP A 43 6.062 0.441 -6.589 1.00 0.00 C ATOM 634 CD2 TRP A 43 6.376 -0.342 -4.514 1.00 0.00 C ATOM 635 NE1 TRP A 43 7.395 0.139 -6.451 1.00 0.00 N ATOM 636 CE2 TRP A 43 7.613 -0.342 -5.187 1.00 0.00 C ATOM 637 CE3 TRP A 43 6.328 -0.792 -3.193 1.00 0.00 C ATOM 638 CZ2 TRP A 43 8.789 -0.776 -4.581 1.00 0.00 C ATOM 639 CZ3 TRP A 43 7.496 -1.223 -2.593 1.00 0.00 C ATOM 640 CH2 TRP A 43 8.713 -1.212 -3.286 1.00 0.00 C ATOM 0 H TRP A 43 3.524 3.098 -4.735 1.00 0.00 H new ATOM 0 HA TRP A 43 3.534 1.272 -7.063 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.788 0.583 -4.111 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.415 -0.592 -5.356 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.607 0.840 -7.484 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.107 0.254 -7.172 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.395 -0.803 -2.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 9.728 -0.769 -5.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.470 -1.574 -1.572 1.00 0.00 H new ATOM 0 HH2 TRP A 43 9.609 -1.554 -2.789 1.00 0.00 H new ATOM 651 N LYS A 44 1.129 0.516 -6.567 1.00 0.00 N ATOM 652 CA LYS A 44 -0.321 0.387 -6.500 1.00 0.00 C ATOM 653 C LYS A 44 -0.722 -0.826 -5.668 1.00 0.00 C ATOM 654 O LYS A 44 -0.021 -1.837 -5.648 1.00 0.00 O ATOM 655 CB LYS A 44 -0.908 0.269 -7.909 1.00 0.00 C ATOM 656 CG LYS A 44 -2.427 0.271 -7.937 1.00 0.00 C ATOM 657 CD LYS A 44 -2.959 0.220 -9.359 1.00 0.00 C ATOM 658 CE LYS A 44 -4.449 0.518 -9.408 1.00 0.00 C ATOM 659 NZ LYS A 44 -4.868 1.035 -10.741 1.00 0.00 N ATOM 0 H LYS A 44 1.582 -0.143 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.719 1.281 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.541 1.096 -8.517 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.546 -0.650 -8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.803 -0.585 -7.376 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.800 1.167 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.422 0.941 -9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.770 -0.766 -9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.008 -0.389 -9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.698 1.250 -8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.890 1.226 -10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.353 1.914 -10.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.654 0.326 -11.471 1.00 0.00 H new ATOM 673 N GLY A 45 -1.856 -0.719 -4.982 1.00 0.00 N ATOM 674 CA GLY A 45 -2.331 -1.816 -4.158 1.00 0.00 C ATOM 675 C GLY A 45 -3.818 -1.727 -3.876 1.00 0.00 C ATOM 676 O GLY A 45 -4.477 -0.766 -4.273 1.00 0.00 O ATOM 0 H GLY A 45 -2.454 0.107 -4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.115 -2.761 -4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.785 -1.821 -3.215 1.00 0.00 H new ATOM 680 N LYS A 46 -4.349 -2.733 -3.189 1.00 0.00 N ATOM 681 CA LYS A 46 -5.768 -2.767 -2.854 1.00 0.00 C ATOM 682 C LYS A 46 -5.968 -2.884 -1.347 1.00 0.00 C ATOM 683 O LYS A 46 -5.378 -3.749 -0.698 1.00 0.00 O ATOM 684 CB LYS A 46 -6.453 -3.937 -3.563 1.00 0.00 C ATOM 685 CG LYS A 46 -7.917 -4.099 -3.193 1.00 0.00 C ATOM 686 CD LYS A 46 -8.535 -5.307 -3.877 1.00 0.00 C ATOM 687 CE LYS A 46 -8.949 -4.988 -5.306 1.00 0.00 C ATOM 688 NZ LYS A 46 -7.820 -5.159 -6.262 1.00 0.00 N ATOM 0 H LYS A 46 -3.818 -3.536 -2.853 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.218 -1.833 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.373 -3.795 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.922 -4.858 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.010 -4.204 -2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.466 -3.200 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.820 -6.130 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.405 -5.641 -3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.774 -5.637 -5.599 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.316 -3.963 -5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.572 -4.237 -6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.996 -5.546 -5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.103 -5.813 -7.020 1.00 0.00 H new ATOM 702 N ILE A 47 -6.803 -2.010 -0.796 1.00 0.00 N ATOM 703 CA ILE A 47 -7.083 -2.018 0.635 1.00 0.00 C ATOM 704 C ILE A 47 -8.472 -2.577 0.921 1.00 0.00 C ATOM 705 O ILE A 47 -9.313 -2.663 0.026 1.00 0.00 O ATOM 706 CB ILE A 47 -6.976 -0.605 1.238 1.00 0.00 C ATOM 707 CG1 ILE A 47 -5.556 -0.062 1.071 1.00 0.00 C ATOM 708 CG2 ILE A 47 -7.373 -0.624 2.706 1.00 0.00 C ATOM 709 CD1 ILE A 47 -5.298 1.206 1.855 1.00 0.00 C ATOM 0 H ILE A 47 -7.298 -1.287 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.334 -2.660 1.099 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.662 0.054 0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.844 -0.825 1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.371 0.130 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.292 0.382 3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.401 -0.973 2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.711 -1.294 3.253 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.272 1.534 1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.985 1.985 1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.451 1.014 2.917 1.00 0.00 H new ATOM 721 N GLN A 48 -8.707 -2.954 2.173 1.00 0.00 N ATOM 722 CA GLN A 48 -9.995 -3.504 2.577 1.00 0.00 C ATOM 723 C GLN A 48 -11.133 -2.855 1.795 1.00 0.00 C ATOM 724 O GLN A 48 -11.718 -3.471 0.905 1.00 0.00 O ATOM 725 CB GLN A 48 -10.212 -3.302 4.078 1.00 0.00 C ATOM 726 CG GLN A 48 -9.365 -4.221 4.944 1.00 0.00 C ATOM 727 CD GLN A 48 -9.869 -4.307 6.371 1.00 0.00 C ATOM 728 OE1 GLN A 48 -11.012 -3.951 6.660 1.00 0.00 O ATOM 729 NE2 GLN A 48 -9.018 -4.782 7.272 1.00 0.00 N ATOM 0 H GLN A 48 -8.022 -2.889 2.926 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.990 -4.572 2.358 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -9.987 -2.266 4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.264 -3.466 4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.355 -5.219 4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.335 -3.863 4.947 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.080 -5.065 6.988 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -9.302 -4.864 8.248 1.00 0.00 H new ATOM 738 N ASP A 49 -11.441 -1.608 2.135 1.00 0.00 N ATOM 739 CA ASP A 49 -12.508 -0.875 1.464 1.00 0.00 C ATOM 740 C ASP A 49 -11.955 0.348 0.739 1.00 0.00 C ATOM 741 O ASP A 49 -12.708 1.231 0.327 1.00 0.00 O ATOM 742 CB ASP A 49 -13.574 -0.445 2.474 1.00 0.00 C ATOM 743 CG ASP A 49 -14.748 0.251 1.816 1.00 0.00 C ATOM 744 OD1 ASP A 49 -15.026 -0.044 0.635 1.00 0.00 O ATOM 745 OD2 ASP A 49 -15.390 1.091 2.481 1.00 0.00 O ATOM 0 H ASP A 49 -10.967 -1.084 2.871 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.962 -1.538 0.727 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.932 -1.321 3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.125 0.223 3.209 1.00 0.00 H new ATOM 750 N ARG A 50 -10.635 0.392 0.587 1.00 0.00 N ATOM 751 CA ARG A 50 -9.981 1.508 -0.087 1.00 0.00 C ATOM 752 C ARG A 50 -9.120 1.013 -1.245 1.00 0.00 C ATOM 753 O ARG A 50 -8.657 -0.128 -1.244 1.00 0.00 O ATOM 754 CB ARG A 50 -9.121 2.295 0.903 1.00 0.00 C ATOM 755 CG ARG A 50 -9.919 3.242 1.785 1.00 0.00 C ATOM 756 CD ARG A 50 -10.438 2.539 3.029 1.00 0.00 C ATOM 757 NE ARG A 50 -11.175 3.448 3.903 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.597 3.118 5.119 1.00 0.00 C ATOM 759 NH1 ARG A 50 -11.357 1.907 5.601 1.00 0.00 N ATOM 760 NH2 ARG A 50 -12.261 4.000 5.854 1.00 0.00 N ATOM 0 H ARG A 50 -9.998 -0.331 0.921 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.755 2.164 -0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.577 1.594 1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -8.377 2.868 0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.292 4.085 2.077 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.757 3.649 1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.086 1.713 2.735 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.601 2.107 3.578 1.00 0.00 H new ATOM 0 HE ARG A 50 -11.377 4.388 3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.847 1.226 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.682 1.656 6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.448 4.933 5.486 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.584 3.746 6.787 1.00 0.00 H new ATOM 774 N ILE A 51 -8.910 1.879 -2.231 1.00 0.00 N ATOM 775 CA ILE A 51 -8.104 1.531 -3.394 1.00 0.00 C ATOM 776 C ILE A 51 -7.515 2.776 -4.049 1.00 0.00 C ATOM 777 O ILE A 51 -8.149 3.830 -4.084 1.00 0.00 O ATOM 778 CB ILE A 51 -8.929 0.757 -4.439 1.00 0.00 C ATOM 779 CG1 ILE A 51 -9.686 -0.394 -3.773 1.00 0.00 C ATOM 780 CG2 ILE A 51 -8.025 0.233 -5.546 1.00 0.00 C ATOM 781 CD1 ILE A 51 -10.563 -1.173 -4.728 1.00 0.00 C ATOM 0 H ILE A 51 -9.287 2.827 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.294 0.894 -3.037 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.656 1.437 -4.882 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.968 -1.074 -3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -10.304 0.005 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.623 -0.312 -6.277 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.527 1.070 -6.036 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.277 -0.435 -5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.069 -1.973 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -11.305 -0.506 -5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.948 -1.602 -5.519 1.00 0.00 H new ATOM 793 N GLY A 52 -6.298 2.646 -4.568 1.00 0.00 N ATOM 794 CA GLY A 52 -5.645 3.768 -5.217 1.00 0.00 C ATOM 795 C GLY A 52 -4.135 3.638 -5.218 1.00 0.00 C ATOM 796 O GLY A 52 -3.598 2.548 -5.017 1.00 0.00 O ATOM 0 H GLY A 52 -5.753 1.784 -4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.001 3.847 -6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.927 4.691 -4.711 1.00 0.00 H new ATOM 800 N PHE A 53 -3.447 4.751 -5.447 1.00 0.00 N ATOM 801 CA PHE A 53 -1.988 4.756 -5.477 1.00 0.00 C ATOM 802 C PHE A 53 -1.419 5.235 -4.145 1.00 0.00 C ATOM 803 O PHE A 53 -2.057 6.002 -3.423 1.00 0.00 O ATOM 804 CB PHE A 53 -1.484 5.651 -6.611 1.00 0.00 C ATOM 805 CG PHE A 53 -2.173 5.404 -7.922 1.00 0.00 C ATOM 806 CD1 PHE A 53 -1.963 4.225 -8.619 1.00 0.00 C ATOM 807 CD2 PHE A 53 -3.032 6.350 -8.457 1.00 0.00 C ATOM 808 CE1 PHE A 53 -2.596 3.995 -9.826 1.00 0.00 C ATOM 809 CE2 PHE A 53 -3.668 6.126 -9.664 1.00 0.00 C ATOM 810 CZ PHE A 53 -3.450 4.946 -10.349 1.00 0.00 C ATOM 0 H PHE A 53 -3.875 5.661 -5.615 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.649 3.735 -5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.622 6.695 -6.328 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.413 5.494 -6.738 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.297 3.477 -8.214 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.207 7.273 -7.925 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.423 3.072 -10.360 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.334 6.872 -10.071 1.00 0.00 H new ATOM 0 HZ PHE A 53 -3.946 4.768 -11.291 1.00 0.00 H new ATOM 820 N PHE A 54 -0.214 4.775 -3.824 1.00 0.00 N ATOM 821 CA PHE A 54 0.442 5.154 -2.578 1.00 0.00 C ATOM 822 C PHE A 54 1.954 4.978 -2.684 1.00 0.00 C ATOM 823 O PHE A 54 2.454 4.084 -3.368 1.00 0.00 O ATOM 824 CB PHE A 54 -0.100 4.318 -1.417 1.00 0.00 C ATOM 825 CG PHE A 54 0.205 2.853 -1.540 1.00 0.00 C ATOM 826 CD1 PHE A 54 -0.641 2.013 -2.246 1.00 0.00 C ATOM 827 CD2 PHE A 54 1.337 2.315 -0.949 1.00 0.00 C ATOM 828 CE1 PHE A 54 -0.364 0.663 -2.361 1.00 0.00 C ATOM 829 CE2 PHE A 54 1.620 0.967 -1.061 1.00 0.00 C ATOM 830 CZ PHE A 54 0.768 0.140 -1.767 1.00 0.00 C ATOM 0 H PHE A 54 0.328 4.139 -4.409 1.00 0.00 H new ATOM 0 HA PHE A 54 0.229 6.206 -2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.321 4.691 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.180 4.452 -1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.527 2.417 -2.712 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.006 2.957 -0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.031 0.019 -2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.506 0.560 -0.597 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.987 -0.914 -1.854 1.00 0.00 H new ATOM 840 N PRO A 55 2.701 5.850 -1.992 1.00 0.00 N ATOM 841 CA PRO A 55 4.167 5.812 -1.991 1.00 0.00 C ATOM 842 C PRO A 55 4.715 4.600 -1.245 1.00 0.00 C ATOM 843 O PRO A 55 4.104 4.118 -0.292 1.00 0.00 O ATOM 844 CB PRO A 55 4.555 7.105 -1.269 1.00 0.00 C ATOM 845 CG PRO A 55 3.384 7.423 -0.405 1.00 0.00 C ATOM 846 CD PRO A 55 2.173 6.941 -1.155 1.00 0.00 C ATOM 0 HA PRO A 55 4.573 5.732 -2.999 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.460 6.971 -0.676 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.754 7.909 -1.977 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.467 6.927 0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.322 8.494 -0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.395 6.588 -0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 55 1.733 7.734 -1.759 1.00 0.00 H new ATOM 854 N ALA A 56 5.871 4.114 -1.685 1.00 0.00 N ATOM 855 CA ALA A 56 6.502 2.960 -1.056 1.00 0.00 C ATOM 856 C ALA A 56 7.250 3.365 0.210 1.00 0.00 C ATOM 857 O ALA A 56 7.388 2.572 1.140 1.00 0.00 O ATOM 858 CB ALA A 56 7.447 2.278 -2.034 1.00 0.00 C ATOM 0 H ALA A 56 6.389 4.501 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 56 5.718 2.257 -0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.911 1.418 -1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.888 1.945 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.220 2.981 -2.344 1.00 0.00 H new ATOM 864 N ASN A 57 7.731 4.603 0.237 1.00 0.00 N ATOM 865 CA ASN A 57 8.466 5.113 1.388 1.00 0.00 C ATOM 866 C ASN A 57 7.558 5.218 2.610 1.00 0.00 C ATOM 867 O ASN A 57 8.017 5.511 3.715 1.00 0.00 O ATOM 868 CB ASN A 57 9.071 6.482 1.069 1.00 0.00 C ATOM 869 CG ASN A 57 10.440 6.373 0.427 1.00 0.00 C ATOM 870 OD1 ASN A 57 11.302 5.631 0.897 1.00 0.00 O ATOM 871 ND2 ASN A 57 10.647 7.116 -0.655 1.00 0.00 N ATOM 0 H ASN A 57 7.625 5.272 -0.526 1.00 0.00 H new ATOM 0 HA ASN A 57 9.270 4.412 1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.402 7.025 0.402 1.00 0.00 H new ATOM 0 HB3 ASN A 57 9.148 7.065 1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.549 7.085 -1.130 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.904 7.717 -1.011 1.00 0.00 H new ATOM 878 N PHE A 58 6.268 4.977 2.404 1.00 0.00 N ATOM 879 CA PHE A 58 5.295 5.044 3.488 1.00 0.00 C ATOM 880 C PHE A 58 4.960 3.648 4.007 1.00 0.00 C ATOM 881 O PHE A 58 4.595 3.477 5.169 1.00 0.00 O ATOM 882 CB PHE A 58 4.019 5.744 3.014 1.00 0.00 C ATOM 883 CG PHE A 58 4.041 7.232 3.217 1.00 0.00 C ATOM 884 CD1 PHE A 58 5.072 7.999 2.699 1.00 0.00 C ATOM 885 CD2 PHE A 58 3.031 7.863 3.924 1.00 0.00 C ATOM 886 CE1 PHE A 58 5.095 9.369 2.885 1.00 0.00 C ATOM 887 CE2 PHE A 58 3.048 9.232 4.112 1.00 0.00 C ATOM 888 CZ PHE A 58 4.081 9.986 3.591 1.00 0.00 C ATOM 0 H PHE A 58 5.872 4.733 1.496 1.00 0.00 H new ATOM 0 HA PHE A 58 5.736 5.619 4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.870 5.532 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.165 5.325 3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.866 7.522 2.144 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.220 7.278 4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.905 9.956 2.479 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.254 9.712 4.666 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.096 11.056 3.735 1.00 0.00 H new ATOM 898 N VAL A 59 5.088 2.653 3.134 1.00 0.00 N ATOM 899 CA VAL A 59 4.800 1.272 3.503 1.00 0.00 C ATOM 900 C VAL A 59 6.086 0.481 3.716 1.00 0.00 C ATOM 901 O VAL A 59 7.163 0.906 3.301 1.00 0.00 O ATOM 902 CB VAL A 59 3.951 0.570 2.427 1.00 0.00 C ATOM 903 CG1 VAL A 59 2.623 1.289 2.241 1.00 0.00 C ATOM 904 CG2 VAL A 59 4.713 0.493 1.113 1.00 0.00 C ATOM 0 H VAL A 59 5.389 2.778 2.167 1.00 0.00 H new ATOM 0 HA VAL A 59 4.237 1.304 4.436 1.00 0.00 H new ATOM 0 HB VAL A 59 3.743 -0.447 2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.037 0.779 1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.073 1.287 3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.807 2.318 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.098 -0.006 0.364 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.954 1.500 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.635 -0.070 1.259 1.00 0.00 H new ATOM 914 N GLN A 60 5.964 -0.672 4.366 1.00 0.00 N ATOM 915 CA GLN A 60 7.117 -1.523 4.634 1.00 0.00 C ATOM 916 C GLN A 60 6.827 -2.970 4.250 1.00 0.00 C ATOM 917 O GLN A 60 5.895 -3.585 4.769 1.00 0.00 O ATOM 918 CB GLN A 60 7.503 -1.443 6.112 1.00 0.00 C ATOM 919 CG GLN A 60 8.934 -1.875 6.391 1.00 0.00 C ATOM 920 CD GLN A 60 9.060 -3.369 6.610 1.00 0.00 C ATOM 921 OE1 GLN A 60 9.756 -4.061 5.866 1.00 0.00 O ATOM 922 NE2 GLN A 60 8.386 -3.877 7.635 1.00 0.00 N ATOM 0 H GLN A 60 5.079 -1.038 4.717 1.00 0.00 H new ATOM 0 HA GLN A 60 7.949 -1.166 4.028 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.367 -0.419 6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.824 -2.069 6.691 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.568 -1.579 5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.303 -1.350 7.272 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.821 -3.267 8.226 1.00 0.00 H new ATOM 0 HE22 GLN A 60 8.433 -4.877 7.831 1.00 0.00 H new ATOM 931 N ARG A 61 7.630 -3.507 3.338 1.00 0.00 N ATOM 932 CA ARG A 61 7.459 -4.882 2.883 1.00 0.00 C ATOM 933 C ARG A 61 7.245 -5.823 4.065 1.00 0.00 C ATOM 934 O ARG A 61 7.930 -5.723 5.084 1.00 0.00 O ATOM 935 CB ARG A 61 8.677 -5.330 2.074 1.00 0.00 C ATOM 936 CG ARG A 61 8.592 -6.768 1.591 1.00 0.00 C ATOM 937 CD ARG A 61 9.536 -7.021 0.425 1.00 0.00 C ATOM 938 NE ARG A 61 10.868 -7.417 0.876 1.00 0.00 N ATOM 939 CZ ARG A 61 11.857 -7.741 0.050 1.00 0.00 C ATOM 940 NH1 ARG A 61 11.665 -7.716 -1.261 1.00 0.00 N ATOM 941 NH2 ARG A 61 13.041 -8.090 0.537 1.00 0.00 N ATOM 0 H ARG A 61 8.406 -3.011 2.899 1.00 0.00 H new ATOM 0 HA ARG A 61 6.575 -4.920 2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.792 -4.672 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.572 -5.213 2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.836 -7.443 2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.569 -6.991 1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.122 -7.802 -0.214 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.612 -6.119 -0.182 1.00 0.00 H new ATOM 0 HE ARG A 61 11.049 -7.446 1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.756 -7.448 -1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.426 -7.965 -1.893 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.192 -8.110 1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.800 -8.339 -0.097 1.00 0.00 H new ATOM 955 N LEU A 62 6.291 -6.736 3.922 1.00 0.00 N ATOM 956 CA LEU A 62 5.986 -7.696 4.978 1.00 0.00 C ATOM 957 C LEU A 62 6.472 -9.092 4.602 1.00 0.00 C ATOM 958 O LEU A 62 6.513 -9.449 3.424 1.00 0.00 O ATOM 959 CB LEU A 62 4.481 -7.723 5.251 1.00 0.00 C ATOM 960 CG LEU A 62 3.933 -6.578 6.103 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.434 -6.429 5.896 1.00 0.00 C ATOM 962 CD2 LEU A 62 4.250 -6.808 7.574 1.00 0.00 C ATOM 0 H LEU A 62 5.715 -6.832 3.086 1.00 0.00 H new ATOM 0 HA LEU A 62 6.507 -7.382 5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.958 -7.720 4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.238 -8.664 5.744 1.00 0.00 H new ATOM 0 HG LEU A 62 4.416 -5.653 5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.062 -5.609 6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.231 -6.217 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.933 -7.354 6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.852 -5.983 8.165 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.795 -7.742 7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.330 -6.864 7.709 1.00 0.00 H new