USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 435 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 49 ASN : amide:sc= -0.0294 K(o=1,f=-6.6!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -162:sc= 1.03 (180deg=0.809) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -160:sc= -1.67! USER MOD Single : A 11 THR OG1 : rot 168:sc= 1.85 USER MOD Single : A 15 TYR OH : rot -125:sc= 0.736 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -70:sc= 0.796 USER MOD Single : A 19 ASN : amide:sc= 1.15 K(o=1.1,f=-0.083) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.702 USER MOD Single : A 32 HIS : no HE2:sc= 0.925 K(o=0.93,f=-4.4!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0775 USER MOD Single : A 36 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.04) USER MOD Single : A 38 THR OG1 : rot -104:sc= 1.25 USER MOD Single : A 45 LYS NZ :NH3+ 140:sc= 0.712 (180deg=-0.0235) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 62 GLN : amide:sc= 0.768 K(o=0.77,f=-1.3) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 7 -10.311 1.965 -2.886 1.00 0.00 N ATOM 77 CA GLU A 7 -9.755 2.528 -1.696 1.00 0.00 C ATOM 78 C GLU A 7 -8.360 3.064 -2.013 1.00 0.00 C ATOM 79 O GLU A 7 -7.686 2.559 -2.932 1.00 0.00 O ATOM 80 CB GLU A 7 -9.713 1.456 -0.581 1.00 0.00 C ATOM 81 CG GLU A 7 -11.096 0.925 -0.178 1.00 0.00 C ATOM 82 CD GLU A 7 -11.056 -0.104 0.947 1.00 0.00 C ATOM 83 OE1 GLU A 7 -11.015 0.289 2.147 1.00 0.00 O ATOM 84 OE2 GLU A 7 -11.117 -1.310 0.674 1.00 0.00 O ATOM 0 HA GLU A 7 -10.372 3.352 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.097 0.621 -0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.226 1.879 0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.721 1.763 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.572 0.477 -1.051 1.00 0.00 H new ATOM 91 N TYR A 8 -7.928 4.081 -1.295 1.00 0.00 N ATOM 92 CA TYR A 8 -6.632 4.700 -1.535 1.00 0.00 C ATOM 93 C TYR A 8 -5.991 5.003 -0.209 1.00 0.00 C ATOM 94 O TYR A 8 -6.690 5.288 0.767 1.00 0.00 O ATOM 95 CB TYR A 8 -6.755 6.006 -2.348 1.00 0.00 C ATOM 96 CG TYR A 8 -7.461 5.860 -3.687 1.00 0.00 C ATOM 97 CD1 TYR A 8 -6.760 5.491 -4.819 1.00 0.00 C ATOM 98 CD2 TYR A 8 -8.828 6.089 -3.811 1.00 0.00 C ATOM 99 CE1 TYR A 8 -7.393 5.353 -6.040 1.00 0.00 C ATOM 100 CE2 TYR A 8 -9.466 5.952 -5.027 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.742 5.583 -6.138 1.00 0.00 C ATOM 102 OH TYR A 8 -9.376 5.442 -7.364 1.00 0.00 O ATOM 0 H TYR A 8 -8.458 4.502 -0.533 1.00 0.00 H new ATOM 0 HA TYR A 8 -6.025 4.005 -2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -7.292 6.741 -1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.756 6.405 -2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.698 5.307 -4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.399 6.379 -2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.828 5.065 -6.914 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.528 6.133 -5.107 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.331 5.639 -7.263 1.00 0.00 H new ATOM 112 N CYS A 9 -4.694 4.969 -0.165 1.00 0.00 N ATOM 113 CA CYS A 9 -3.970 5.183 1.070 1.00 0.00 C ATOM 114 C CYS A 9 -2.764 6.074 0.842 1.00 0.00 C ATOM 115 O CYS A 9 -2.304 6.206 -0.285 1.00 0.00 O ATOM 116 CB CYS A 9 -3.555 3.828 1.668 1.00 0.00 C ATOM 117 SG CYS A 9 -2.778 2.695 0.482 1.00 0.00 S ATOM 0 H CYS A 9 -4.101 4.793 -0.976 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.622 5.692 1.780 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.863 4.004 2.491 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.436 3.345 2.090 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.848 1.478 0.934 1.00 0.00 H new ATOM 123 N ARG A 10 -2.294 6.708 1.892 1.00 0.00 N ATOM 124 CA ARG A 10 -1.106 7.530 1.834 1.00 0.00 C ATOM 125 C ARG A 10 -0.081 6.966 2.775 1.00 0.00 C ATOM 126 O ARG A 10 -0.411 6.558 3.889 1.00 0.00 O ATOM 127 CB ARG A 10 -1.374 8.998 2.216 1.00 0.00 C ATOM 128 CG ARG A 10 -0.087 9.823 2.272 1.00 0.00 C ATOM 129 CD ARG A 10 -0.292 11.240 2.743 1.00 0.00 C ATOM 130 NE ARG A 10 1.011 11.895 2.969 1.00 0.00 N ATOM 131 CZ ARG A 10 1.260 13.199 2.856 1.00 0.00 C ATOM 132 NH1 ARG A 10 0.324 14.026 2.444 1.00 0.00 N ATOM 133 NH2 ARG A 10 2.463 13.660 3.145 1.00 0.00 N ATOM 0 H ARG A 10 -2.727 6.668 2.815 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.753 7.520 0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.057 9.442 1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.870 9.035 3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.622 9.328 2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.365 9.842 1.280 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.864 11.798 2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.874 11.244 3.665 1.00 0.00 H new ATOM 0 HE ARG A 10 1.792 11.295 3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.602 13.671 2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.525 15.023 2.361 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.194 13.019 3.452 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.661 14.657 3.061 1.00 0.00 H new ATOM 147 N THR A 11 1.128 6.938 2.341 1.00 0.00 N ATOM 148 CA THR A 11 2.215 6.476 3.130 1.00 0.00 C ATOM 149 C THR A 11 2.653 7.546 4.137 1.00 0.00 C ATOM 150 O THR A 11 2.760 8.732 3.792 1.00 0.00 O ATOM 151 CB THR A 11 3.356 6.115 2.201 1.00 0.00 C ATOM 152 OG1 THR A 11 3.594 7.217 1.297 1.00 0.00 O ATOM 153 CG2 THR A 11 2.977 4.897 1.396 1.00 0.00 C ATOM 0 H THR A 11 1.396 7.243 1.405 1.00 0.00 H new ATOM 0 HA THR A 11 1.910 5.600 3.702 1.00 0.00 H new ATOM 0 HB THR A 11 4.253 5.908 2.784 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.443 7.078 0.828 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.796 4.634 0.726 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.777 4.063 2.069 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.084 5.112 0.810 1.00 0.00 H new ATOM 161 N LEU A 12 2.862 7.132 5.373 1.00 0.00 N ATOM 162 CA LEU A 12 3.304 8.033 6.434 1.00 0.00 C ATOM 163 C LEU A 12 4.802 7.908 6.614 1.00 0.00 C ATOM 164 O LEU A 12 5.459 8.776 7.204 1.00 0.00 O ATOM 165 CB LEU A 12 2.620 7.680 7.758 1.00 0.00 C ATOM 166 CG LEU A 12 1.102 7.818 7.812 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.590 7.360 9.168 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.689 9.258 7.554 1.00 0.00 C ATOM 0 H LEU A 12 2.732 6.166 5.674 1.00 0.00 H new ATOM 0 HA LEU A 12 3.041 9.053 6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.875 6.650 8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.045 8.312 8.538 1.00 0.00 H new ATOM 0 HG LEU A 12 0.665 7.190 7.036 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.495 7.461 9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.862 6.316 9.326 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.035 7.974 9.951 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.397 9.338 7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.130 9.905 8.312 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.037 9.565 6.568 1.00 0.00 H new ATOM 180 N PHE A 13 5.332 6.829 6.109 1.00 0.00 N ATOM 181 CA PHE A 13 6.736 6.537 6.184 1.00 0.00 C ATOM 182 C PHE A 13 7.135 5.886 4.885 1.00 0.00 C ATOM 183 O PHE A 13 6.291 5.260 4.237 1.00 0.00 O ATOM 184 CB PHE A 13 7.051 5.565 7.354 1.00 0.00 C ATOM 185 CG PHE A 13 6.718 6.069 8.737 1.00 0.00 C ATOM 186 CD1 PHE A 13 7.607 6.879 9.425 1.00 0.00 C ATOM 187 CD2 PHE A 13 5.522 5.721 9.351 1.00 0.00 C ATOM 188 CE1 PHE A 13 7.310 7.335 10.696 1.00 0.00 C ATOM 189 CE2 PHE A 13 5.220 6.175 10.620 1.00 0.00 C ATOM 190 CZ PHE A 13 6.115 6.984 11.293 1.00 0.00 C ATOM 0 H PHE A 13 4.789 6.114 5.624 1.00 0.00 H new ATOM 0 HA PHE A 13 7.288 7.461 6.358 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.506 4.636 7.186 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.113 5.322 7.323 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.543 7.157 8.963 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.819 5.088 8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.012 7.965 11.222 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.286 5.898 11.085 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.881 7.342 12.285 1.00 0.00 H new ATOM 200 N PRO A 14 8.382 6.062 4.451 1.00 0.00 N ATOM 201 CA PRO A 14 8.887 5.380 3.275 1.00 0.00 C ATOM 202 C PRO A 14 9.248 3.932 3.623 1.00 0.00 C ATOM 203 O PRO A 14 9.485 3.603 4.799 1.00 0.00 O ATOM 204 CB PRO A 14 10.149 6.175 2.928 1.00 0.00 C ATOM 205 CG PRO A 14 10.633 6.687 4.239 1.00 0.00 C ATOM 206 CD PRO A 14 9.400 6.951 5.059 1.00 0.00 C ATOM 0 HA PRO A 14 8.169 5.335 2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.897 5.544 2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.929 6.991 2.239 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.279 5.958 4.729 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.219 7.597 4.111 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.560 6.717 6.111 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.101 7.998 5.008 1.00 0.00 H new ATOM 214 N TYR A 15 9.284 3.086 2.643 1.00 0.00 N ATOM 215 CA TYR A 15 9.621 1.704 2.849 1.00 0.00 C ATOM 216 C TYR A 15 10.268 1.157 1.609 1.00 0.00 C ATOM 217 O TYR A 15 9.790 1.385 0.495 1.00 0.00 O ATOM 218 CB TYR A 15 8.379 0.873 3.233 1.00 0.00 C ATOM 219 CG TYR A 15 8.641 -0.608 3.409 1.00 0.00 C ATOM 220 CD1 TYR A 15 9.324 -1.083 4.516 1.00 0.00 C ATOM 221 CD2 TYR A 15 8.221 -1.526 2.457 1.00 0.00 C ATOM 222 CE1 TYR A 15 9.581 -2.428 4.674 1.00 0.00 C ATOM 223 CE2 TYR A 15 8.478 -2.870 2.605 1.00 0.00 C ATOM 224 CZ TYR A 15 9.159 -3.317 3.715 1.00 0.00 C ATOM 225 OH TYR A 15 9.428 -4.662 3.862 1.00 0.00 O ATOM 0 H TYR A 15 9.081 3.330 1.674 1.00 0.00 H new ATOM 0 HA TYR A 15 10.323 1.636 3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.966 1.268 4.161 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.618 1.005 2.464 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.662 -0.387 5.269 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.684 -1.180 1.586 1.00 0.00 H new ATOM 0 HE1 TYR A 15 10.111 -2.781 5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.147 -3.571 1.853 1.00 0.00 H new ATOM 0 HH TYR A 15 9.899 -4.990 3.068 1.00 0.00 H new ATOM 235 N THR A 16 11.351 0.477 1.794 1.00 0.00 N ATOM 236 CA THR A 16 12.056 -0.118 0.722 1.00 0.00 C ATOM 237 C THR A 16 11.648 -1.578 0.578 1.00 0.00 C ATOM 238 O THR A 16 11.757 -2.360 1.533 1.00 0.00 O ATOM 239 CB THR A 16 13.565 -0.009 0.960 1.00 0.00 C ATOM 240 OG1 THR A 16 13.912 1.386 1.123 1.00 0.00 O ATOM 241 CG2 THR A 16 14.338 -0.597 -0.209 1.00 0.00 C ATOM 0 H THR A 16 11.772 0.320 2.710 1.00 0.00 H new ATOM 0 HA THR A 16 11.809 0.408 -0.200 1.00 0.00 H new ATOM 0 HB THR A 16 13.827 -0.569 1.858 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.876 1.467 1.278 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.408 -0.509 -0.019 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.076 -1.648 -0.327 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.086 -0.056 -1.121 1.00 0.00 H new ATOM 249 N GLY A 17 11.164 -1.926 -0.586 1.00 0.00 N ATOM 250 CA GLY A 17 10.789 -3.272 -0.851 1.00 0.00 C ATOM 251 C GLY A 17 12.004 -4.096 -1.169 1.00 0.00 C ATOM 252 O GLY A 17 12.801 -3.738 -2.042 1.00 0.00 O ATOM 0 H GLY A 17 11.023 -1.283 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.273 -3.690 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.090 -3.305 -1.686 1.00 0.00 H new ATOM 256 N THR A 18 12.164 -5.164 -0.458 1.00 0.00 N ATOM 257 CA THR A 18 13.289 -6.042 -0.628 1.00 0.00 C ATOM 258 C THR A 18 12.920 -7.098 -1.645 1.00 0.00 C ATOM 259 O THR A 18 13.727 -7.523 -2.492 1.00 0.00 O ATOM 260 CB THR A 18 13.672 -6.682 0.724 1.00 0.00 C ATOM 261 OG1 THR A 18 12.485 -7.221 1.373 1.00 0.00 O ATOM 262 CG2 THR A 18 14.329 -5.658 1.638 1.00 0.00 C ATOM 0 H THR A 18 11.512 -5.460 0.268 1.00 0.00 H new ATOM 0 HA THR A 18 14.155 -5.484 -0.985 1.00 0.00 H new ATOM 0 HB THR A 18 14.381 -7.487 0.532 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.911 -6.484 1.669 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.591 -6.130 2.585 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.231 -5.272 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.636 -4.837 1.821 1.00 0.00 H new ATOM 270 N ASN A 19 11.680 -7.489 -1.580 1.00 0.00 N ATOM 271 CA ASN A 19 11.121 -8.408 -2.511 1.00 0.00 C ATOM 272 C ASN A 19 10.565 -7.621 -3.679 1.00 0.00 C ATOM 273 O ASN A 19 10.416 -6.403 -3.596 1.00 0.00 O ATOM 274 CB ASN A 19 10.000 -9.239 -1.866 1.00 0.00 C ATOM 275 CG ASN A 19 10.454 -10.186 -0.769 1.00 0.00 C ATOM 276 OD1 ASN A 19 10.877 -11.307 -1.046 1.00 0.00 O ATOM 277 ND2 ASN A 19 10.299 -9.796 0.473 1.00 0.00 N ATOM 0 H ASN A 19 11.025 -7.170 -0.866 1.00 0.00 H new ATOM 0 HA ASN A 19 11.897 -9.097 -2.845 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.255 -8.559 -1.453 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.504 -9.819 -2.644 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.531 -10.428 1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.946 -8.860 0.673 1.00 0.00 H new ATOM 284 N GLU A 20 10.266 -8.294 -4.750 1.00 0.00 N ATOM 285 CA GLU A 20 9.691 -7.666 -5.919 1.00 0.00 C ATOM 286 C GLU A 20 8.191 -7.511 -5.700 1.00 0.00 C ATOM 287 O GLU A 20 7.573 -6.544 -6.132 1.00 0.00 O ATOM 288 CB GLU A 20 9.966 -8.532 -7.121 1.00 0.00 C ATOM 289 CG GLU A 20 9.421 -8.012 -8.417 1.00 0.00 C ATOM 290 CD GLU A 20 9.653 -8.986 -9.516 1.00 0.00 C ATOM 291 OE1 GLU A 20 8.931 -10.008 -9.570 1.00 0.00 O ATOM 292 OE2 GLU A 20 10.565 -8.764 -10.332 1.00 0.00 O ATOM 0 H GLU A 20 10.412 -9.299 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 20 10.129 -6.682 -6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.044 -8.655 -7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.547 -9.522 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.353 -7.818 -8.316 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.896 -7.062 -8.661 1.00 0.00 H new ATOM 299 N ASP A 21 7.625 -8.467 -4.985 1.00 0.00 N ATOM 300 CA ASP A 21 6.204 -8.449 -4.597 1.00 0.00 C ATOM 301 C ASP A 21 5.985 -7.499 -3.434 1.00 0.00 C ATOM 302 O ASP A 21 4.893 -7.375 -2.922 1.00 0.00 O ATOM 303 CB ASP A 21 5.726 -9.847 -4.183 1.00 0.00 C ATOM 304 CG ASP A 21 5.605 -10.819 -5.325 1.00 0.00 C ATOM 305 OD1 ASP A 21 6.636 -11.306 -5.829 1.00 0.00 O ATOM 306 OD2 ASP A 21 4.470 -11.160 -5.708 1.00 0.00 O ATOM 0 H ASP A 21 8.131 -9.287 -4.650 1.00 0.00 H new ATOM 0 HA ASP A 21 5.633 -8.116 -5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.420 -10.253 -3.447 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.757 -9.757 -3.692 1.00 0.00 H new ATOM 311 N GLU A 22 7.026 -6.840 -3.041 1.00 0.00 N ATOM 312 CA GLU A 22 7.012 -5.932 -1.942 1.00 0.00 C ATOM 313 C GLU A 22 7.186 -4.540 -2.529 1.00 0.00 C ATOM 314 O GLU A 22 8.091 -4.306 -3.339 1.00 0.00 O ATOM 315 CB GLU A 22 8.145 -6.335 -1.019 1.00 0.00 C ATOM 316 CG GLU A 22 8.224 -5.668 0.317 1.00 0.00 C ATOM 317 CD GLU A 22 9.338 -6.282 1.130 1.00 0.00 C ATOM 318 OE1 GLU A 22 9.279 -7.477 1.429 1.00 0.00 O ATOM 319 OE2 GLU A 22 10.338 -5.600 1.423 1.00 0.00 O ATOM 0 H GLU A 22 7.938 -6.922 -3.491 1.00 0.00 H new ATOM 0 HA GLU A 22 6.089 -5.945 -1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.076 -7.410 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.084 -6.152 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.400 -4.600 0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.276 -5.775 0.844 1.00 0.00 H new ATOM 326 N LEU A 23 6.316 -3.649 -2.165 1.00 0.00 N ATOM 327 CA LEU A 23 6.247 -2.347 -2.801 1.00 0.00 C ATOM 328 C LEU A 23 7.234 -1.356 -2.152 1.00 0.00 C ATOM 329 O LEU A 23 7.219 -1.160 -0.938 1.00 0.00 O ATOM 330 CB LEU A 23 4.795 -1.825 -2.692 1.00 0.00 C ATOM 331 CG LEU A 23 4.239 -0.970 -3.857 1.00 0.00 C ATOM 332 CD1 LEU A 23 2.807 -0.560 -3.569 1.00 0.00 C ATOM 333 CD2 LEU A 23 5.087 0.260 -4.135 1.00 0.00 C ATOM 0 H LEU A 23 5.631 -3.792 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 23 6.530 -2.440 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.139 -2.687 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.721 -1.234 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 23 4.271 -1.592 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.427 0.041 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.190 -1.451 -3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.774 0.025 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.652 0.823 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.120 0.888 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.099 -0.048 -4.399 1.00 0.00 H new ATOM 345 N THR A 24 8.086 -0.761 -2.966 1.00 0.00 N ATOM 346 CA THR A 24 8.991 0.275 -2.508 1.00 0.00 C ATOM 347 C THR A 24 8.292 1.632 -2.671 1.00 0.00 C ATOM 348 O THR A 24 7.914 2.012 -3.784 1.00 0.00 O ATOM 349 CB THR A 24 10.283 0.257 -3.369 1.00 0.00 C ATOM 350 OG1 THR A 24 10.919 -1.027 -3.259 1.00 0.00 O ATOM 351 CG2 THR A 24 11.263 1.351 -2.945 1.00 0.00 C ATOM 0 H THR A 24 8.170 -0.981 -3.958 1.00 0.00 H new ATOM 0 HA THR A 24 9.255 0.106 -1.464 1.00 0.00 H new ATOM 0 HB THR A 24 9.997 0.446 -4.404 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.733 -1.037 -3.804 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.154 1.304 -3.572 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.790 2.327 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.545 1.203 -1.903 1.00 0.00 H new ATOM 359 N PHE A 25 8.106 2.335 -1.582 1.00 0.00 N ATOM 360 CA PHE A 25 7.433 3.611 -1.620 1.00 0.00 C ATOM 361 C PHE A 25 8.121 4.691 -0.799 1.00 0.00 C ATOM 362 O PHE A 25 8.902 4.403 0.121 1.00 0.00 O ATOM 363 CB PHE A 25 5.944 3.485 -1.255 1.00 0.00 C ATOM 364 CG PHE A 25 5.651 2.723 0.008 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.883 3.280 1.254 1.00 0.00 C ATOM 366 CD2 PHE A 25 5.110 1.453 -0.059 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.581 2.584 2.404 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.813 0.753 1.085 1.00 0.00 C ATOM 369 CZ PHE A 25 5.045 1.317 2.319 1.00 0.00 C ATOM 0 H PHE A 25 8.412 2.044 -0.654 1.00 0.00 H new ATOM 0 HA PHE A 25 7.497 3.942 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.525 4.487 -1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.425 2.999 -2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.306 4.271 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.918 1.005 -1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.764 3.030 3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.397 -0.241 1.016 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.808 0.768 3.218 1.00 0.00 H new ATOM 379 N ARG A 26 7.812 5.916 -1.137 1.00 0.00 N ATOM 380 CA ARG A 26 8.263 7.092 -0.423 1.00 0.00 C ATOM 381 C ARG A 26 7.114 7.559 0.483 1.00 0.00 C ATOM 382 O ARG A 26 6.066 6.917 0.519 1.00 0.00 O ATOM 383 CB ARG A 26 8.606 8.186 -1.438 1.00 0.00 C ATOM 384 CG ARG A 26 9.694 7.785 -2.420 1.00 0.00 C ATOM 385 CD ARG A 26 9.846 8.809 -3.524 1.00 0.00 C ATOM 386 NE ARG A 26 10.826 8.385 -4.528 1.00 0.00 N ATOM 387 CZ ARG A 26 10.725 8.609 -5.845 1.00 0.00 C ATOM 388 NH1 ARG A 26 9.711 9.323 -6.325 1.00 0.00 N ATOM 389 NH2 ARG A 26 11.656 8.140 -6.672 1.00 0.00 N ATOM 0 H ARG A 26 7.222 6.134 -1.940 1.00 0.00 H new ATOM 0 HA ARG A 26 9.147 6.874 0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.706 8.450 -1.993 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.923 9.081 -0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 26 10.641 7.675 -1.891 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.455 6.814 -2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.881 8.972 -4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.154 9.763 -3.095 1.00 0.00 H new ATOM 0 HE ARG A 26 11.649 7.880 -4.198 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.008 9.701 -5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 26 9.636 9.492 -7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.446 7.610 -6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.580 8.310 -7.675 1.00 0.00 H new ATOM 403 N GLU A 27 7.301 8.641 1.202 1.00 0.00 N ATOM 404 CA GLU A 27 6.259 9.198 2.052 1.00 0.00 C ATOM 405 C GLU A 27 5.478 10.228 1.248 1.00 0.00 C ATOM 406 O GLU A 27 6.068 11.007 0.484 1.00 0.00 O ATOM 407 CB GLU A 27 6.909 9.826 3.312 1.00 0.00 C ATOM 408 CG GLU A 27 5.960 10.346 4.415 1.00 0.00 C ATOM 409 CD GLU A 27 5.246 11.652 4.104 1.00 0.00 C ATOM 410 OE1 GLU A 27 5.910 12.705 4.050 1.00 0.00 O ATOM 411 OE2 GLU A 27 4.009 11.661 3.976 1.00 0.00 O ATOM 0 H GLU A 27 8.177 9.164 1.219 1.00 0.00 H new ATOM 0 HA GLU A 27 5.569 8.423 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.568 9.081 3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.538 10.656 2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.210 9.581 4.614 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.534 10.476 5.332 1.00 0.00 H new ATOM 418 N GLY A 28 4.174 10.213 1.388 1.00 0.00 N ATOM 419 CA GLY A 28 3.345 11.164 0.686 1.00 0.00 C ATOM 420 C GLY A 28 2.806 10.598 -0.590 1.00 0.00 C ATOM 421 O GLY A 28 2.311 11.324 -1.450 1.00 0.00 O ATOM 0 H GLY A 28 3.665 9.556 1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.517 11.467 1.327 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.925 12.061 0.469 1.00 0.00 H new ATOM 425 N GLU A 29 2.883 9.308 -0.712 1.00 0.00 N ATOM 426 CA GLU A 29 2.452 8.640 -1.904 1.00 0.00 C ATOM 427 C GLU A 29 1.041 8.142 -1.736 1.00 0.00 C ATOM 428 O GLU A 29 0.725 7.486 -0.736 1.00 0.00 O ATOM 429 CB GLU A 29 3.373 7.465 -2.203 1.00 0.00 C ATOM 430 CG GLU A 29 4.821 7.852 -2.434 1.00 0.00 C ATOM 431 CD GLU A 29 5.017 8.706 -3.663 1.00 0.00 C ATOM 432 OE1 GLU A 29 5.106 8.158 -4.778 1.00 0.00 O ATOM 433 OE2 GLU A 29 5.093 9.942 -3.548 1.00 0.00 O ATOM 0 H GLU A 29 3.246 8.688 0.012 1.00 0.00 H new ATOM 0 HA GLU A 29 2.487 9.346 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.325 6.760 -1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.003 6.943 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.190 8.391 -1.562 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.422 6.948 -2.528 1.00 0.00 H new ATOM 440 N ILE A 30 0.187 8.495 -2.670 1.00 0.00 N ATOM 441 CA ILE A 30 -1.159 7.980 -2.689 1.00 0.00 C ATOM 442 C ILE A 30 -1.122 6.679 -3.466 1.00 0.00 C ATOM 443 O ILE A 30 -0.770 6.664 -4.652 1.00 0.00 O ATOM 444 CB ILE A 30 -2.166 8.972 -3.348 1.00 0.00 C ATOM 445 CG1 ILE A 30 -2.158 10.334 -2.621 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.583 8.387 -3.376 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.561 10.279 -1.158 1.00 0.00 C ATOM 0 H ILE A 30 0.405 9.140 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.506 7.830 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.845 9.131 -4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.158 10.761 -2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.832 11.013 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.262 9.101 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.583 7.460 -3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.913 8.183 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.525 11.282 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.574 9.885 -1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.873 9.630 -0.615 1.00 0.00 H new ATOM 459 N ILE A 31 -1.435 5.616 -2.798 1.00 0.00 N ATOM 460 CA ILE A 31 -1.363 4.293 -3.360 1.00 0.00 C ATOM 461 C ILE A 31 -2.767 3.807 -3.640 1.00 0.00 C ATOM 462 O ILE A 31 -3.694 4.083 -2.850 1.00 0.00 O ATOM 463 CB ILE A 31 -0.646 3.306 -2.373 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.780 3.791 -2.063 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.615 1.877 -2.919 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.556 2.880 -1.131 1.00 0.00 C ATOM 0 H ILE A 31 -1.754 5.636 -1.829 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.785 4.328 -4.284 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.224 3.294 -1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.330 3.889 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.726 4.785 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.110 1.226 -2.205 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.635 1.524 -3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.078 1.861 -3.867 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.551 3.293 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.031 2.801 -0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.645 1.891 -1.580 1.00 0.00 H new ATOM 478 N HIS A 32 -2.924 3.069 -4.715 1.00 0.00 N ATOM 479 CA HIS A 32 -4.206 2.545 -5.097 1.00 0.00 C ATOM 480 C HIS A 32 -4.341 1.220 -4.399 1.00 0.00 C ATOM 481 O HIS A 32 -3.620 0.279 -4.702 1.00 0.00 O ATOM 482 CB HIS A 32 -4.275 2.315 -6.625 1.00 0.00 C ATOM 483 CG HIS A 32 -3.880 3.500 -7.467 1.00 0.00 C ATOM 484 ND1 HIS A 32 -3.081 3.417 -8.586 1.00 0.00 N ATOM 485 CD2 HIS A 32 -4.204 4.804 -7.344 1.00 0.00 C ATOM 486 CE1 HIS A 32 -2.949 4.643 -9.091 1.00 0.00 C ATOM 487 NE2 HIS A 32 -3.615 5.525 -8.371 1.00 0.00 N ATOM 0 H HIS A 32 -2.163 2.818 -5.346 1.00 0.00 H new ATOM 0 HA HIS A 32 -5.000 3.242 -4.827 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.628 1.476 -6.880 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.292 2.025 -6.888 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -2.663 2.566 -8.962 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.826 5.221 -6.566 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.373 4.883 -9.973 1.00 0.00 H new ATOM 495 N LEU A 33 -5.204 1.163 -3.423 1.00 0.00 N ATOM 496 CA LEU A 33 -5.357 -0.022 -2.622 1.00 0.00 C ATOM 497 C LEU A 33 -6.068 -1.087 -3.442 1.00 0.00 C ATOM 498 O LEU A 33 -7.153 -0.858 -3.992 1.00 0.00 O ATOM 499 CB LEU A 33 -6.096 0.329 -1.305 1.00 0.00 C ATOM 500 CG LEU A 33 -6.166 -0.735 -0.185 1.00 0.00 C ATOM 501 CD1 LEU A 33 -6.662 -0.083 1.091 1.00 0.00 C ATOM 502 CD2 LEU A 33 -7.104 -1.877 -0.549 1.00 0.00 C ATOM 0 H LEU A 33 -5.819 1.933 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.386 -0.427 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.622 1.217 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.119 0.604 -1.563 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.165 -1.145 -0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.713 -0.829 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.976 0.712 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.654 0.337 0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.125 -2.603 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.108 -1.485 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.751 -2.361 -1.460 1.00 0.00 H new ATOM 514 N ILE A 34 -5.444 -2.227 -3.540 1.00 0.00 N ATOM 515 CA ILE A 34 -5.962 -3.323 -4.317 1.00 0.00 C ATOM 516 C ILE A 34 -6.697 -4.291 -3.397 1.00 0.00 C ATOM 517 O ILE A 34 -7.853 -4.646 -3.633 1.00 0.00 O ATOM 518 CB ILE A 34 -4.801 -4.073 -5.060 1.00 0.00 C ATOM 519 CG1 ILE A 34 -3.996 -3.108 -5.953 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.315 -5.251 -5.883 1.00 0.00 C ATOM 521 CD1 ILE A 34 -4.818 -2.384 -7.006 1.00 0.00 C ATOM 0 H ILE A 34 -4.555 -2.426 -3.081 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.651 -2.930 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.139 -4.469 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.510 -2.367 -5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.205 -3.669 -6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.477 -5.741 -6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.814 -5.963 -5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.021 -4.891 -6.632 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.169 -1.728 -7.586 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.283 -3.113 -7.669 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.592 -1.791 -6.519 1.00 0.00 H new ATOM 533 N SER A 35 -6.041 -4.700 -2.333 1.00 0.00 N ATOM 534 CA SER A 35 -6.616 -5.658 -1.415 1.00 0.00 C ATOM 535 C SER A 35 -6.054 -5.468 -0.006 1.00 0.00 C ATOM 536 O SER A 35 -4.856 -5.274 0.159 1.00 0.00 O ATOM 537 CB SER A 35 -6.333 -7.091 -1.915 1.00 0.00 C ATOM 538 OG SER A 35 -6.863 -7.290 -3.228 1.00 0.00 O ATOM 0 H SER A 35 -5.105 -4.382 -2.082 1.00 0.00 H new ATOM 0 HA SER A 35 -7.693 -5.497 -1.373 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.258 -7.272 -1.922 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.774 -7.813 -1.228 1.00 0.00 H new ATOM 0 HG SER A 35 -6.670 -8.204 -3.524 1.00 0.00 H new ATOM 544 N LYS A 36 -6.922 -5.481 0.988 1.00 0.00 N ATOM 545 CA LYS A 36 -6.496 -5.415 2.380 1.00 0.00 C ATOM 546 C LYS A 36 -6.286 -6.816 2.901 1.00 0.00 C ATOM 547 O LYS A 36 -5.500 -7.051 3.820 1.00 0.00 O ATOM 548 CB LYS A 36 -7.496 -4.626 3.247 1.00 0.00 C ATOM 549 CG LYS A 36 -7.440 -3.128 2.984 1.00 0.00 C ATOM 550 CD LYS A 36 -8.454 -2.311 3.765 1.00 0.00 C ATOM 551 CE LYS A 36 -9.874 -2.665 3.398 1.00 0.00 C ATOM 552 NZ LYS A 36 -10.832 -1.696 3.949 1.00 0.00 N ATOM 0 H LYS A 36 -7.932 -5.537 0.860 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.552 -4.872 2.436 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.505 -4.988 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.287 -4.815 4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.440 -2.767 3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.595 -2.953 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.305 -2.474 4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.286 -1.250 3.578 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.973 -2.698 2.313 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.109 -3.662 3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.801 -1.997 3.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.719 -1.645 4.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.655 -0.759 3.535 1.00 0.00 H new ATOM 566 N GLU A 37 -6.981 -7.747 2.294 1.00 0.00 N ATOM 567 CA GLU A 37 -6.813 -9.132 2.607 1.00 0.00 C ATOM 568 C GLU A 37 -5.863 -9.736 1.610 1.00 0.00 C ATOM 569 O GLU A 37 -6.213 -9.946 0.455 1.00 0.00 O ATOM 570 CB GLU A 37 -8.142 -9.880 2.575 1.00 0.00 C ATOM 571 CG GLU A 37 -9.139 -9.417 3.612 1.00 0.00 C ATOM 572 CD GLU A 37 -10.433 -10.174 3.528 1.00 0.00 C ATOM 573 OE1 GLU A 37 -10.511 -11.299 4.054 1.00 0.00 O ATOM 574 OE2 GLU A 37 -11.402 -9.656 2.939 1.00 0.00 O ATOM 0 H GLU A 37 -7.676 -7.559 1.571 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.413 -9.218 3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.585 -9.768 1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.951 -10.943 2.720 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.711 -9.541 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.333 -8.353 3.478 1.00 0.00 H new ATOM 581 N THR A 38 -4.652 -9.941 2.023 1.00 0.00 N ATOM 582 CA THR A 38 -3.659 -10.565 1.181 1.00 0.00 C ATOM 583 C THR A 38 -3.461 -11.998 1.633 1.00 0.00 C ATOM 584 O THR A 38 -2.549 -12.708 1.190 1.00 0.00 O ATOM 585 CB THR A 38 -2.342 -9.798 1.297 1.00 0.00 C ATOM 586 OG1 THR A 38 -2.040 -9.614 2.690 1.00 0.00 O ATOM 587 CG2 THR A 38 -2.449 -8.450 0.609 1.00 0.00 C ATOM 0 H THR A 38 -4.316 -9.684 2.951 1.00 0.00 H new ATOM 0 HA THR A 38 -3.989 -10.553 0.142 1.00 0.00 H new ATOM 0 HB THR A 38 -1.547 -10.365 0.813 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.233 -8.688 2.947 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.502 -7.918 0.702 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.681 -8.597 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.241 -7.865 1.076 1.00 0.00 H new ATOM 595 N GLY A 39 -4.331 -12.412 2.533 1.00 0.00 N ATOM 596 CA GLY A 39 -4.242 -13.713 3.128 1.00 0.00 C ATOM 597 C GLY A 39 -3.654 -13.588 4.503 1.00 0.00 C ATOM 598 O GLY A 39 -3.863 -14.431 5.379 1.00 0.00 O ATOM 0 H GLY A 39 -5.115 -11.851 2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.230 -14.169 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.623 -14.366 2.513 1.00 0.00 H new ATOM 602 N GLU A 40 -2.950 -12.508 4.701 1.00 0.00 N ATOM 603 CA GLU A 40 -2.321 -12.227 5.935 1.00 0.00 C ATOM 604 C GLU A 40 -2.874 -10.935 6.503 1.00 0.00 C ATOM 605 O GLU A 40 -3.240 -10.015 5.753 1.00 0.00 O ATOM 606 CB GLU A 40 -0.805 -12.130 5.744 1.00 0.00 C ATOM 607 CG GLU A 40 -0.031 -11.841 7.018 1.00 0.00 C ATOM 608 CD GLU A 40 -0.166 -12.917 8.064 1.00 0.00 C ATOM 609 OE1 GLU A 40 -1.275 -13.090 8.628 1.00 0.00 O ATOM 610 OE2 GLU A 40 0.849 -13.570 8.371 1.00 0.00 O ATOM 0 H GLU A 40 -2.802 -11.794 3.988 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.524 -13.035 6.638 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.444 -13.066 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.592 -11.346 5.018 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.023 -11.716 6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.375 -10.895 7.436 1.00 0.00 H new ATOM 617 N ALA A 41 -2.943 -10.875 7.802 1.00 0.00 N ATOM 618 CA ALA A 41 -3.400 -9.710 8.482 1.00 0.00 C ATOM 619 C ALA A 41 -2.204 -8.834 8.775 1.00 0.00 C ATOM 620 O ALA A 41 -1.331 -9.201 9.567 1.00 0.00 O ATOM 621 CB ALA A 41 -4.118 -10.094 9.764 1.00 0.00 C ATOM 0 H ALA A 41 -2.680 -11.643 8.419 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.110 -9.165 7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.461 -9.193 10.273 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.974 -10.725 9.526 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.434 -10.640 10.414 1.00 0.00 H new ATOM 627 N GLY A 42 -2.123 -7.723 8.098 1.00 0.00 N ATOM 628 CA GLY A 42 -1.016 -6.817 8.298 1.00 0.00 C ATOM 629 C GLY A 42 -0.425 -6.369 6.998 1.00 0.00 C ATOM 630 O GLY A 42 0.200 -5.312 6.913 1.00 0.00 O ATOM 0 H GLY A 42 -2.806 -7.419 7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.354 -5.948 8.862 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.248 -7.307 8.897 1.00 0.00 H new ATOM 634 N TRP A 43 -0.624 -7.159 5.981 1.00 0.00 N ATOM 635 CA TRP A 43 -0.101 -6.842 4.684 1.00 0.00 C ATOM 636 C TRP A 43 -1.221 -6.411 3.770 1.00 0.00 C ATOM 637 O TRP A 43 -2.233 -7.107 3.641 1.00 0.00 O ATOM 638 CB TRP A 43 0.651 -8.036 4.074 1.00 0.00 C ATOM 639 CG TRP A 43 1.879 -8.466 4.835 1.00 0.00 C ATOM 640 CD1 TRP A 43 1.920 -9.262 5.938 1.00 0.00 C ATOM 641 CD2 TRP A 43 3.244 -8.140 4.527 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.215 -9.450 6.346 1.00 0.00 N ATOM 643 CE2 TRP A 43 4.053 -8.773 5.494 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.859 -7.376 3.532 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.440 -8.664 5.492 1.00 0.00 C ATOM 646 CZ3 TRP A 43 5.237 -7.269 3.530 1.00 0.00 C ATOM 647 CH2 TRP A 43 6.014 -7.908 4.504 1.00 0.00 C ATOM 0 H TRP A 43 -1.148 -8.033 6.027 1.00 0.00 H new ATOM 0 HA TRP A 43 0.610 -6.023 4.797 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.033 -8.882 4.008 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.943 -7.781 3.055 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.054 -9.686 6.424 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.509 -10.003 7.151 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.268 -6.878 2.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.042 -9.157 6.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.723 -6.683 2.764 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.088 -7.803 4.476 1.00 0.00 H new ATOM 658 N TRP A 44 -1.056 -5.277 3.177 1.00 0.00 N ATOM 659 CA TRP A 44 -1.989 -4.754 2.218 1.00 0.00 C ATOM 660 C TRP A 44 -1.368 -4.821 0.863 1.00 0.00 C ATOM 661 O TRP A 44 -0.149 -4.770 0.740 1.00 0.00 O ATOM 662 CB TRP A 44 -2.346 -3.294 2.516 1.00 0.00 C ATOM 663 CG TRP A 44 -3.327 -3.091 3.620 1.00 0.00 C ATOM 664 CD1 TRP A 44 -3.831 -4.030 4.463 1.00 0.00 C ATOM 665 CD2 TRP A 44 -3.940 -1.852 3.987 1.00 0.00 C ATOM 666 NE1 TRP A 44 -4.731 -3.458 5.315 1.00 0.00 N ATOM 667 CE2 TRP A 44 -4.811 -2.122 5.052 1.00 0.00 C ATOM 668 CE3 TRP A 44 -3.838 -0.541 3.514 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -5.578 -1.135 5.654 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -4.601 0.440 4.115 1.00 0.00 C ATOM 671 CH2 TRP A 44 -5.460 0.134 5.174 1.00 0.00 C ATOM 0 H TRP A 44 -0.254 -4.670 3.344 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.901 -5.349 2.268 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.430 -2.756 2.762 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.747 -2.843 1.608 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.559 -5.075 4.459 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.260 -3.951 6.034 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.176 -0.300 2.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.244 -1.364 6.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.533 1.458 3.762 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.045 0.923 5.623 1.00 0.00 H new ATOM 682 N LYS A 45 -2.178 -4.964 -0.140 1.00 0.00 N ATOM 683 CA LYS A 45 -1.691 -4.937 -1.472 1.00 0.00 C ATOM 684 C LYS A 45 -2.142 -3.652 -2.100 1.00 0.00 C ATOM 685 O LYS A 45 -3.343 -3.314 -2.074 1.00 0.00 O ATOM 686 CB LYS A 45 -2.176 -6.139 -2.303 1.00 0.00 C ATOM 687 CG LYS A 45 -1.629 -6.127 -3.727 1.00 0.00 C ATOM 688 CD LYS A 45 -2.007 -7.355 -4.526 1.00 0.00 C ATOM 689 CE LYS A 45 -1.461 -7.234 -5.941 1.00 0.00 C ATOM 690 NZ LYS A 45 -1.733 -8.416 -6.779 1.00 0.00 N ATOM 0 H LYS A 45 -3.185 -5.101 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.603 -5.002 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.874 -7.063 -1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.265 -6.137 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.997 -5.240 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.543 -6.047 -3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.608 -8.249 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.091 -7.464 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.895 -6.354 -6.416 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.384 -7.072 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.986 -8.109 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.884 -9.016 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.521 -8.958 -6.370 1.00 0.00 H new ATOM 704 N GLY A 46 -1.226 -2.964 -2.669 1.00 0.00 N ATOM 705 CA GLY A 46 -1.511 -1.727 -3.277 1.00 0.00 C ATOM 706 C GLY A 46 -0.744 -1.586 -4.532 1.00 0.00 C ATOM 707 O GLY A 46 0.235 -2.309 -4.745 1.00 0.00 O ATOM 0 H GLY A 46 -0.248 -3.249 -2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.579 -1.653 -3.485 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.261 -0.913 -2.596 1.00 0.00 H new ATOM 711 N GLU A 47 -1.187 -0.712 -5.365 1.00 0.00 N ATOM 712 CA GLU A 47 -0.547 -0.447 -6.598 1.00 0.00 C ATOM 713 C GLU A 47 -0.085 0.985 -6.609 1.00 0.00 C ATOM 714 O GLU A 47 -0.867 1.912 -6.361 1.00 0.00 O ATOM 715 CB GLU A 47 -1.501 -0.784 -7.763 1.00 0.00 C ATOM 716 CG GLU A 47 -0.936 -0.628 -9.177 1.00 0.00 C ATOM 717 CD GLU A 47 -0.962 0.790 -9.676 1.00 0.00 C ATOM 718 OE1 GLU A 47 -2.067 1.301 -9.949 1.00 0.00 O ATOM 719 OE2 GLU A 47 0.102 1.410 -9.832 1.00 0.00 O ATOM 0 H GLU A 47 -2.023 -0.151 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 47 0.334 -1.077 -6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.837 -1.814 -7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.383 -0.149 -7.676 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.091 -0.992 -9.192 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.507 -1.257 -9.860 1.00 0.00 H new ATOM 726 N LEU A 48 1.173 1.150 -6.826 1.00 0.00 N ATOM 727 CA LEU A 48 1.784 2.431 -6.931 1.00 0.00 C ATOM 728 C LEU A 48 2.833 2.347 -7.982 1.00 0.00 C ATOM 729 O LEU A 48 3.570 1.354 -8.038 1.00 0.00 O ATOM 730 CB LEU A 48 2.453 2.852 -5.620 1.00 0.00 C ATOM 731 CG LEU A 48 3.167 4.222 -5.638 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.163 5.348 -5.780 1.00 0.00 C ATOM 733 CD2 LEU A 48 4.003 4.401 -4.383 1.00 0.00 C ATOM 0 H LEU A 48 1.826 0.374 -6.939 1.00 0.00 H new ATOM 0 HA LEU A 48 1.016 3.166 -7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.695 2.869 -4.837 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.180 2.088 -5.344 1.00 0.00 H new ATOM 0 HG LEU A 48 3.832 4.252 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.687 6.304 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.610 5.227 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.469 5.324 -4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.499 5.371 -4.412 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.358 4.349 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.753 3.611 -4.329 1.00 0.00 H new ATOM 745 N ASN A 49 2.849 3.326 -8.858 1.00 0.00 N ATOM 746 CA ASN A 49 3.902 3.511 -9.850 1.00 0.00 C ATOM 747 C ASN A 49 3.884 2.389 -10.891 1.00 0.00 C ATOM 748 O ASN A 49 4.863 2.180 -11.611 1.00 0.00 O ATOM 749 CB ASN A 49 5.261 3.561 -9.128 1.00 0.00 C ATOM 750 CG ASN A 49 6.218 4.533 -9.729 1.00 0.00 C ATOM 751 OD1 ASN A 49 7.033 4.204 -10.594 1.00 0.00 O ATOM 752 ND2 ASN A 49 6.122 5.749 -9.277 1.00 0.00 N ATOM 0 H ASN A 49 2.118 4.035 -8.908 1.00 0.00 H new ATOM 0 HA ASN A 49 3.733 4.448 -10.381 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.099 3.822 -8.082 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.708 2.567 -9.142 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.737 6.478 -9.639 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.432 5.974 -8.560 1.00 0.00 H new ATOM 759 N GLY A 50 2.767 1.671 -10.964 1.00 0.00 N ATOM 760 CA GLY A 50 2.645 0.576 -11.894 1.00 0.00 C ATOM 761 C GLY A 50 2.985 -0.748 -11.246 1.00 0.00 C ATOM 762 O GLY A 50 3.001 -1.798 -11.902 1.00 0.00 O ATOM 0 H GLY A 50 1.941 1.835 -10.388 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.627 0.540 -12.283 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.305 0.745 -12.744 1.00 0.00 H new ATOM 766 N LYS A 51 3.268 -0.715 -9.960 1.00 0.00 N ATOM 767 CA LYS A 51 3.612 -1.911 -9.245 1.00 0.00 C ATOM 768 C LYS A 51 2.590 -2.206 -8.205 1.00 0.00 C ATOM 769 O LYS A 51 2.289 -1.366 -7.360 1.00 0.00 O ATOM 770 CB LYS A 51 4.998 -1.860 -8.575 1.00 0.00 C ATOM 771 CG LYS A 51 6.177 -1.654 -9.505 1.00 0.00 C ATOM 772 CD LYS A 51 6.339 -0.191 -9.899 1.00 0.00 C ATOM 773 CE LYS A 51 7.474 0.018 -10.881 1.00 0.00 C ATOM 774 NZ LYS A 51 7.602 1.439 -11.266 1.00 0.00 N ATOM 0 H LYS A 51 3.265 0.133 -9.394 1.00 0.00 H new ATOM 0 HA LYS A 51 3.644 -2.700 -9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.995 -1.055 -7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.150 -2.791 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.088 -2.002 -9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.043 -2.259 -10.402 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.409 0.169 -10.340 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.520 0.406 -9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.408 -0.325 -10.437 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.303 -0.587 -11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.160 1.513 -12.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.656 1.843 -11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.080 1.963 -10.506 1.00 0.00 H new ATOM 788 N GLU A 52 2.072 -3.384 -8.261 1.00 0.00 N ATOM 789 CA GLU A 52 1.129 -3.835 -7.282 1.00 0.00 C ATOM 790 C GLU A 52 1.754 -4.933 -6.470 1.00 0.00 C ATOM 791 O GLU A 52 2.073 -6.016 -6.988 1.00 0.00 O ATOM 792 CB GLU A 52 -0.239 -4.244 -7.879 1.00 0.00 C ATOM 793 CG GLU A 52 -0.203 -5.302 -8.961 1.00 0.00 C ATOM 794 CD GLU A 52 -1.583 -5.660 -9.446 1.00 0.00 C ATOM 795 OE1 GLU A 52 -2.220 -6.549 -8.860 1.00 0.00 O ATOM 796 OE2 GLU A 52 -2.057 -5.060 -10.431 1.00 0.00 O ATOM 0 H GLU A 52 2.287 -4.068 -8.987 1.00 0.00 H new ATOM 0 HA GLU A 52 0.894 -2.995 -6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.874 -4.603 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.716 -3.353 -8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.394 -4.943 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.290 -6.196 -8.578 1.00 0.00 H new ATOM 803 N GLY A 53 1.975 -4.643 -5.234 1.00 0.00 N ATOM 804 CA GLY A 53 2.608 -5.568 -4.358 1.00 0.00 C ATOM 805 C GLY A 53 2.058 -5.437 -2.984 1.00 0.00 C ATOM 806 O GLY A 53 1.058 -4.739 -2.784 1.00 0.00 O ATOM 0 H GLY A 53 1.721 -3.755 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.458 -6.585 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.683 -5.390 -4.345 1.00 0.00 H new ATOM 810 N VAL A 54 2.717 -6.020 -2.038 1.00 0.00 N ATOM 811 CA VAL A 54 2.243 -6.027 -0.688 1.00 0.00 C ATOM 812 C VAL A 54 3.177 -5.238 0.195 1.00 0.00 C ATOM 813 O VAL A 54 4.376 -5.092 -0.109 1.00 0.00 O ATOM 814 CB VAL A 54 2.064 -7.477 -0.120 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.036 -8.256 -0.929 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.389 -8.236 -0.084 1.00 0.00 C ATOM 0 H VAL A 54 3.602 -6.507 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 54 1.258 -5.560 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 54 1.703 -7.379 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.931 -9.259 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.075 -7.743 -0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.365 -8.325 -1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.224 -9.237 0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.793 -8.310 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.096 -7.703 0.552 1.00 0.00 H new ATOM 826 N PHE A 55 2.621 -4.678 1.233 1.00 0.00 N ATOM 827 CA PHE A 55 3.349 -3.878 2.169 1.00 0.00 C ATOM 828 C PHE A 55 2.629 -3.915 3.515 1.00 0.00 C ATOM 829 O PHE A 55 1.414 -4.120 3.549 1.00 0.00 O ATOM 830 CB PHE A 55 3.455 -2.426 1.642 1.00 0.00 C ATOM 831 CG PHE A 55 2.133 -1.687 1.478 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.409 -1.780 0.298 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.629 -0.892 2.502 1.00 0.00 C ATOM 834 CE1 PHE A 55 0.216 -1.102 0.144 1.00 0.00 C ATOM 835 CE2 PHE A 55 0.436 -0.214 2.352 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.272 -0.319 1.171 1.00 0.00 C ATOM 0 H PHE A 55 1.629 -4.769 1.453 1.00 0.00 H new ATOM 0 HA PHE A 55 4.358 -4.270 2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.087 -1.856 2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.962 -2.445 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.783 -2.391 -0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.179 -0.804 3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.336 -1.184 -0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.057 0.398 3.157 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.206 0.210 1.051 1.00 0.00 H new ATOM 846 N PRO A 56 3.348 -3.780 4.639 1.00 0.00 N ATOM 847 CA PRO A 56 2.718 -3.709 5.957 1.00 0.00 C ATOM 848 C PRO A 56 1.898 -2.416 6.094 1.00 0.00 C ATOM 849 O PRO A 56 2.402 -1.312 5.826 1.00 0.00 O ATOM 850 CB PRO A 56 3.907 -3.702 6.934 1.00 0.00 C ATOM 851 CG PRO A 56 5.070 -4.181 6.133 1.00 0.00 C ATOM 852 CD PRO A 56 4.817 -3.712 4.734 1.00 0.00 C ATOM 0 HA PRO A 56 2.027 -4.532 6.140 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.086 -2.702 7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.720 -4.354 7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.005 -3.776 6.519 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.153 -5.267 6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.188 -2.700 4.571 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.302 -4.352 3.997 1.00 0.00 H new ATOM 860 N ASP A 57 0.658 -2.548 6.543 1.00 0.00 N ATOM 861 CA ASP A 57 -0.293 -1.414 6.623 1.00 0.00 C ATOM 862 C ASP A 57 0.113 -0.375 7.672 1.00 0.00 C ATOM 863 O ASP A 57 -0.442 0.719 7.717 1.00 0.00 O ATOM 864 CB ASP A 57 -1.733 -1.893 6.894 1.00 0.00 C ATOM 865 CG ASP A 57 -1.994 -2.340 8.324 1.00 0.00 C ATOM 866 OD1 ASP A 57 -1.605 -3.456 8.702 1.00 0.00 O ATOM 867 OD2 ASP A 57 -2.643 -1.587 9.084 1.00 0.00 O ATOM 0 H ASP A 57 0.270 -3.435 6.864 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.260 -0.933 5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.423 -1.085 6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.959 -2.721 6.222 1.00 0.00 H new ATOM 872 N ASN A 58 1.104 -0.709 8.474 1.00 0.00 N ATOM 873 CA ASN A 58 1.614 0.178 9.535 1.00 0.00 C ATOM 874 C ASN A 58 2.332 1.395 8.958 1.00 0.00 C ATOM 875 O ASN A 58 2.552 2.377 9.649 1.00 0.00 O ATOM 876 CB ASN A 58 2.575 -0.578 10.474 1.00 0.00 C ATOM 877 CG ASN A 58 1.907 -1.684 11.269 1.00 0.00 C ATOM 878 OD1 ASN A 58 0.735 -1.608 11.602 1.00 0.00 O ATOM 879 ND2 ASN A 58 2.645 -2.718 11.573 1.00 0.00 N ATOM 0 H ASN A 58 1.590 -1.604 8.419 1.00 0.00 H new ATOM 0 HA ASN A 58 0.748 0.520 10.101 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.385 -1.006 9.883 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.027 0.133 11.166 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.245 -3.492 12.103 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.621 -2.751 11.280 1.00 0.00 H new ATOM 886 N PHE A 59 2.694 1.325 7.691 1.00 0.00 N ATOM 887 CA PHE A 59 3.415 2.417 7.042 1.00 0.00 C ATOM 888 C PHE A 59 2.468 3.406 6.376 1.00 0.00 C ATOM 889 O PHE A 59 2.904 4.443 5.861 1.00 0.00 O ATOM 890 CB PHE A 59 4.397 1.880 5.988 1.00 0.00 C ATOM 891 CG PHE A 59 5.567 1.114 6.537 1.00 0.00 C ATOM 892 CD1 PHE A 59 5.444 -0.216 6.893 1.00 0.00 C ATOM 893 CD2 PHE A 59 6.796 1.730 6.687 1.00 0.00 C ATOM 894 CE1 PHE A 59 6.523 -0.917 7.391 1.00 0.00 C ATOM 895 CE2 PHE A 59 7.878 1.036 7.181 1.00 0.00 C ATOM 896 CZ PHE A 59 7.742 -0.292 7.535 1.00 0.00 C ATOM 0 H PHE A 59 2.503 0.526 7.086 1.00 0.00 H new ATOM 0 HA PHE A 59 3.967 2.934 7.827 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.850 1.234 5.301 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.774 2.720 5.405 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.492 -0.713 6.780 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.909 2.769 6.413 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.412 -1.955 7.668 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.832 1.530 7.292 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.589 -0.839 7.923 1.00 0.00 H new ATOM 906 N ALA A 60 1.184 3.123 6.396 1.00 0.00 N ATOM 907 CA ALA A 60 0.253 3.946 5.665 1.00 0.00 C ATOM 908 C ALA A 60 -0.986 4.282 6.471 1.00 0.00 C ATOM 909 O ALA A 60 -1.278 3.651 7.490 1.00 0.00 O ATOM 910 CB ALA A 60 -0.138 3.257 4.360 1.00 0.00 C ATOM 0 H ALA A 60 0.768 2.342 6.903 1.00 0.00 H new ATOM 0 HA ALA A 60 0.756 4.888 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.842 3.885 3.814 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.753 3.096 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.605 2.297 4.581 1.00 0.00 H new ATOM 916 N VAL A 61 -1.687 5.282 6.009 1.00 0.00 N ATOM 917 CA VAL A 61 -2.951 5.699 6.553 1.00 0.00 C ATOM 918 C VAL A 61 -3.918 5.716 5.383 1.00 0.00 C ATOM 919 O VAL A 61 -3.521 6.048 4.255 1.00 0.00 O ATOM 920 CB VAL A 61 -2.872 7.113 7.234 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.520 8.220 6.239 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.162 7.443 7.981 1.00 0.00 C ATOM 0 H VAL A 61 -1.383 5.848 5.217 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.272 5.016 7.340 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.060 7.064 7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.478 9.177 6.759 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.550 8.009 5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.281 8.264 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.075 8.427 8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.998 7.442 7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.336 6.695 8.755 1.00 0.00 H new ATOM 932 N GLN A 62 -5.133 5.332 5.591 1.00 0.00 N ATOM 933 CA GLN A 62 -6.035 5.248 4.487 1.00 0.00 C ATOM 934 C GLN A 62 -6.713 6.593 4.233 1.00 0.00 C ATOM 935 O GLN A 62 -6.969 7.358 5.164 1.00 0.00 O ATOM 936 CB GLN A 62 -7.036 4.125 4.683 1.00 0.00 C ATOM 937 CG GLN A 62 -7.660 3.686 3.387 1.00 0.00 C ATOM 938 CD GLN A 62 -8.547 2.496 3.523 1.00 0.00 C ATOM 939 OE1 GLN A 62 -8.368 1.653 4.397 1.00 0.00 O ATOM 940 NE2 GLN A 62 -9.480 2.397 2.658 1.00 0.00 N ATOM 0 H GLN A 62 -5.522 5.075 6.498 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.461 5.006 3.592 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.539 3.275 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.818 4.453 5.368 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.237 4.513 2.973 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.870 3.459 2.672 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.595 3.120 1.947 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.110 1.595 2.677 1.00 0.00 H new ATOM 949 N ILE A 63 -6.948 6.889 2.971 1.00 0.00 N ATOM 950 CA ILE A 63 -7.540 8.152 2.547 1.00 0.00 C ATOM 951 C ILE A 63 -9.002 7.931 2.199 1.00 0.00 C ATOM 952 O ILE A 63 -9.883 8.703 2.585 1.00 0.00 O ATOM 953 CB ILE A 63 -6.817 8.699 1.278 1.00 0.00 C ATOM 954 CG1 ILE A 63 -5.305 8.794 1.500 1.00 0.00 C ATOM 955 CG2 ILE A 63 -7.380 10.054 0.851 1.00 0.00 C ATOM 956 CD1 ILE A 63 -4.890 9.731 2.625 1.00 0.00 C ATOM 0 H ILE A 63 -6.733 6.257 2.200 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.439 8.869 3.362 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.002 7.989 0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.919 7.797 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.835 9.127 0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -6.852 10.404 -0.036 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.441 9.952 0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.248 10.774 1.659 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.803 9.737 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.242 10.739 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.327 9.389 3.563 1.00 0.00 H new ATOM 968 N SER A 64 -9.248 6.880 1.491 1.00 0.00 N ATOM 969 CA SER A 64 -10.547 6.547 1.045 1.00 0.00 C ATOM 970 C SER A 64 -10.665 5.071 1.262 1.00 0.00 C ATOM 971 O SER A 64 -9.783 4.358 0.773 1.00 0.00 O ATOM 972 CB SER A 64 -10.694 6.906 -0.448 1.00 0.00 C ATOM 973 OG SER A 64 -12.051 6.897 -0.861 1.00 0.00 O ATOM 974 OXT SER A 64 -11.595 4.615 1.965 1.00 0.00 O ATOM 0 H SER A 64 -8.529 6.216 1.203 1.00 0.00 H new ATOM 0 HA SER A 64 -11.328 7.090 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.266 7.892 -0.629 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.126 6.197 -1.050 1.00 0.00 H new ATOM 0 HG SER A 64 -12.105 7.131 -1.811 1.00 0.00 H new