USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 614 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 59 ASN : amide:sc= 0.0462 K(o=0.036,f=-2.1!) USER MOD Set 1.2: A 78 SER OG : rot 76:sc= -0.0105 USER MOD Single : A 9 LYS NZ :NH3+ -126:sc= 0.227 (180deg=0) USER MOD Single : A 11 CYS SG : rot -13:sc= -0.613 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 132:sc= 0.224 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0525 X(o=-0.053,f=-0.0035) USER MOD Single : A 33 SER OG : rot -74:sc= -0.766 USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 1.05 (180deg=0.955) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.827 K(o=-0.83,f=-1.5!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -146:sc= -0.433 (180deg=-1.62!) USER MOD Single : A 76 GLN : amide:sc= -0.0123 K(o=-0.012,f=-0.99) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= 0.096 X(o=0.096,f=-0.051) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -6.973 2.684 -13.590 1.00 0.00 N ATOM 67 CA PRO A 8 -6.111 2.955 -12.435 1.00 0.00 C ATOM 68 C PRO A 8 -4.988 3.932 -12.767 1.00 0.00 C ATOM 69 O PRO A 8 -4.926 4.471 -13.871 1.00 0.00 O ATOM 70 CB PRO A 8 -5.538 1.578 -12.090 1.00 0.00 C ATOM 71 CG PRO A 8 -5.591 0.814 -13.368 1.00 0.00 C ATOM 72 CD PRO A 8 -6.808 1.312 -14.097 1.00 0.00 C ATOM 0 HA PRO A 8 -6.660 3.421 -11.616 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.517 1.656 -11.718 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.124 1.089 -11.312 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.689 0.977 -13.958 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.660 -0.257 -13.180 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.663 1.298 -15.177 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.683 0.697 -13.885 1.00 0.00 H new ATOM 80 N LYS A 9 -4.101 4.155 -11.803 1.00 0.00 N ATOM 81 CA LYS A 9 -2.978 5.066 -11.992 1.00 0.00 C ATOM 82 C LYS A 9 -1.701 4.488 -11.390 1.00 0.00 C ATOM 83 O LYS A 9 -1.730 3.868 -10.326 1.00 0.00 O ATOM 84 CB LYS A 9 -3.284 6.424 -11.358 1.00 0.00 C ATOM 85 CG LYS A 9 -3.549 6.352 -9.864 1.00 0.00 C ATOM 86 CD LYS A 9 -4.220 7.617 -9.355 1.00 0.00 C ATOM 87 CE LYS A 9 -4.613 7.489 -7.891 1.00 0.00 C ATOM 88 NZ LYS A 9 -5.585 8.541 -7.484 1.00 0.00 N ATOM 0 H LYS A 9 -4.138 3.717 -10.883 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.826 5.198 -13.063 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.445 7.097 -11.538 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.153 6.859 -11.852 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.181 5.491 -9.647 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.609 6.199 -9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.545 8.463 -9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.106 7.826 -9.954 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.048 6.505 -7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.721 7.558 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.220 9.047 -6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.718 9.212 -8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.496 8.099 -7.248 1.00 0.00 H new ATOM 102 N LEU A 10 -0.583 4.696 -12.075 1.00 0.00 N ATOM 103 CA LEU A 10 0.706 4.197 -11.607 1.00 0.00 C ATOM 104 C LEU A 10 1.393 5.221 -10.709 1.00 0.00 C ATOM 105 O LEU A 10 1.735 6.318 -11.152 1.00 0.00 O ATOM 106 CB LEU A 10 1.607 3.858 -12.796 1.00 0.00 C ATOM 107 CG LEU A 10 2.708 2.831 -12.532 1.00 0.00 C ATOM 108 CD1 LEU A 10 3.677 3.346 -11.479 1.00 0.00 C ATOM 109 CD2 LEU A 10 2.106 1.502 -12.101 1.00 0.00 C ATOM 0 H LEU A 10 -0.542 5.207 -12.957 1.00 0.00 H new ATOM 0 HA LEU A 10 0.528 3.293 -11.025 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.980 3.488 -13.608 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.073 4.779 -13.147 1.00 0.00 H new ATOM 0 HG LEU A 10 3.260 2.673 -13.458 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.454 2.602 -11.304 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.134 4.272 -11.827 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.139 3.534 -10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.905 0.783 -11.918 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.528 1.643 -11.188 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.453 1.126 -12.889 1.00 0.00 H new ATOM 121 N CYS A 11 1.592 4.855 -9.448 1.00 0.00 N ATOM 122 CA CYS A 11 2.240 5.741 -8.488 1.00 0.00 C ATOM 123 C CYS A 11 3.436 5.055 -7.835 1.00 0.00 C ATOM 124 O CYS A 11 3.423 3.845 -7.611 1.00 0.00 O ATOM 125 CB CYS A 11 1.243 6.182 -7.416 1.00 0.00 C ATOM 126 SG CYS A 11 0.404 4.816 -6.581 1.00 0.00 S ATOM 0 H CYS A 11 1.314 3.951 -9.066 1.00 0.00 H new ATOM 0 HA CYS A 11 2.597 6.619 -9.026 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.768 6.781 -6.672 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.494 6.828 -7.875 1.00 0.00 H new ATOM 0 HG CYS A 11 0.600 3.716 -7.245 1.00 0.00 H new ATOM 132 N ARG A 12 4.468 5.836 -7.535 1.00 0.00 N ATOM 133 CA ARG A 12 5.673 5.303 -6.911 1.00 0.00 C ATOM 134 C ARG A 12 5.886 5.915 -5.529 1.00 0.00 C ATOM 135 O ARG A 12 6.191 7.101 -5.403 1.00 0.00 O ATOM 136 CB ARG A 12 6.893 5.575 -7.793 1.00 0.00 C ATOM 137 CG ARG A 12 7.111 4.526 -8.871 1.00 0.00 C ATOM 138 CD ARG A 12 8.585 4.375 -9.213 1.00 0.00 C ATOM 139 NE ARG A 12 9.166 5.627 -9.690 1.00 0.00 N ATOM 140 CZ ARG A 12 10.474 5.845 -9.775 1.00 0.00 C ATOM 141 NH1 ARG A 12 11.331 4.900 -9.416 1.00 0.00 N ATOM 142 NH2 ARG A 12 10.926 7.011 -10.219 1.00 0.00 N ATOM 0 H ARG A 12 4.494 6.840 -7.714 1.00 0.00 H new ATOM 0 HA ARG A 12 5.547 4.226 -6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.779 6.551 -8.265 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.781 5.627 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.715 3.568 -8.533 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.555 4.803 -9.767 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.129 4.035 -8.332 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.703 3.606 -9.976 1.00 0.00 H new ATOM 0 HE ARG A 12 8.533 6.375 -9.973 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.987 4.003 -9.074 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.335 5.070 -9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.269 7.741 -10.495 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.930 7.177 -10.284 1.00 0.00 H new ATOM 156 N LEU A 13 5.722 5.097 -4.495 1.00 0.00 N ATOM 157 CA LEU A 13 5.895 5.557 -3.121 1.00 0.00 C ATOM 158 C LEU A 13 7.371 5.589 -2.739 1.00 0.00 C ATOM 159 O LEU A 13 8.165 4.784 -3.225 1.00 0.00 O ATOM 160 CB LEU A 13 5.127 4.650 -2.158 1.00 0.00 C ATOM 161 CG LEU A 13 3.647 4.981 -1.961 1.00 0.00 C ATOM 162 CD1 LEU A 13 2.859 3.725 -1.624 1.00 0.00 C ATOM 163 CD2 LEU A 13 3.476 6.029 -0.870 1.00 0.00 C ATOM 0 H LEU A 13 5.470 4.113 -4.582 1.00 0.00 H new ATOM 0 HA LEU A 13 5.499 6.570 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.205 3.624 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.619 4.686 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 13 3.258 5.389 -2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.808 3.980 -1.487 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.955 3.006 -2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.248 3.287 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.417 6.253 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.881 5.648 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.007 6.938 -1.152 1.00 0.00 H new ATOM 175 N ALA A 14 7.731 6.522 -1.865 1.00 0.00 N ATOM 176 CA ALA A 14 9.111 6.655 -1.414 1.00 0.00 C ATOM 177 C ALA A 14 9.180 6.845 0.097 1.00 0.00 C ATOM 178 O ALA A 14 8.476 7.684 0.660 1.00 0.00 O ATOM 179 CB ALA A 14 9.789 7.818 -2.126 1.00 0.00 C ATOM 0 H ALA A 14 7.086 7.198 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 14 9.638 5.734 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.819 7.906 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.782 7.640 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.253 8.741 -1.907 1.00 0.00 H new ATOM 185 N LYS A 15 10.031 6.061 0.749 1.00 0.00 N ATOM 186 CA LYS A 15 10.192 6.143 2.196 1.00 0.00 C ATOM 187 C LYS A 15 11.113 7.298 2.577 1.00 0.00 C ATOM 188 O LYS A 15 12.207 7.438 2.032 1.00 0.00 O ATOM 189 CB LYS A 15 10.754 4.828 2.742 1.00 0.00 C ATOM 190 CG LYS A 15 10.704 4.728 4.257 1.00 0.00 C ATOM 191 CD LYS A 15 10.818 3.286 4.724 1.00 0.00 C ATOM 192 CE LYS A 15 9.513 2.531 4.527 1.00 0.00 C ATOM 193 NZ LYS A 15 9.663 1.079 4.821 1.00 0.00 N ATOM 0 H LYS A 15 10.620 5.361 0.298 1.00 0.00 H new ATOM 0 HA LYS A 15 9.211 6.323 2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.194 3.997 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.787 4.720 2.413 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.514 5.316 4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.770 5.157 4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.615 2.786 4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.096 3.265 5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.746 2.956 5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.170 2.660 3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.752 0.599 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.376 0.668 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.966 0.954 5.808 1.00 0.00 H new ATOM 207 N GLY A 16 10.662 8.124 3.516 1.00 0.00 N ATOM 208 CA GLY A 16 11.458 9.255 3.954 1.00 0.00 C ATOM 209 C GLY A 16 12.494 8.869 4.991 1.00 0.00 C ATOM 210 O GLY A 16 13.656 8.636 4.659 1.00 0.00 O ATOM 0 H GLY A 16 9.759 8.030 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.958 9.698 3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.800 10.019 4.369 1.00 0.00 H new ATOM 214 N GLU A 17 12.073 8.801 6.250 1.00 0.00 N ATOM 215 CA GLU A 17 12.974 8.442 7.338 1.00 0.00 C ATOM 216 C GLU A 17 12.522 7.152 8.017 1.00 0.00 C ATOM 217 O GLU A 17 13.173 6.115 7.898 1.00 0.00 O ATOM 218 CB GLU A 17 13.045 9.574 8.365 1.00 0.00 C ATOM 219 CG GLU A 17 14.064 10.647 8.019 1.00 0.00 C ATOM 220 CD GLU A 17 13.835 11.247 6.646 1.00 0.00 C ATOM 221 OE1 GLU A 17 12.835 11.976 6.475 1.00 0.00 O ATOM 222 OE2 GLU A 17 14.656 10.988 5.741 1.00 0.00 O ATOM 0 H GLU A 17 11.114 8.990 6.541 1.00 0.00 H new ATOM 0 HA GLU A 17 13.966 8.281 6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.061 10.035 8.454 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.290 9.153 9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.023 11.437 8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.066 10.219 8.062 1.00 0.00 H new ATOM 229 N ASN A 18 11.402 7.226 8.728 1.00 0.00 N ATOM 230 CA ASN A 18 10.862 6.065 9.427 1.00 0.00 C ATOM 231 C ASN A 18 9.978 5.235 8.501 1.00 0.00 C ATOM 232 O ASN A 18 10.312 4.103 8.157 1.00 0.00 O ATOM 233 CB ASN A 18 10.062 6.509 10.653 1.00 0.00 C ATOM 234 CG ASN A 18 10.907 7.281 11.647 1.00 0.00 C ATOM 235 OD1 ASN A 18 11.912 6.776 12.148 1.00 0.00 O ATOM 236 ND2 ASN A 18 10.503 8.511 11.938 1.00 0.00 N ATOM 0 H ASN A 18 10.850 8.077 8.836 1.00 0.00 H new ATOM 0 HA ASN A 18 11.698 5.446 9.752 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.226 7.130 10.332 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.639 5.633 11.144 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.032 9.078 12.601 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.664 8.889 11.499 1.00 0.00 H new ATOM 243 N GLY A 19 8.847 5.809 8.101 1.00 0.00 N ATOM 244 CA GLY A 19 7.932 5.109 7.218 1.00 0.00 C ATOM 245 C GLY A 19 7.245 6.039 6.239 1.00 0.00 C ATOM 246 O GLY A 19 7.205 7.252 6.448 1.00 0.00 O ATOM 0 H GLY A 19 8.548 6.746 8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.479 4.345 6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.179 4.594 7.815 1.00 0.00 H new ATOM 250 N TYR A 20 6.703 5.472 5.167 1.00 0.00 N ATOM 251 CA TYR A 20 6.017 6.260 4.150 1.00 0.00 C ATOM 252 C TYR A 20 5.058 7.260 4.790 1.00 0.00 C ATOM 253 O TYR A 20 5.177 8.468 4.589 1.00 0.00 O ATOM 254 CB TYR A 20 5.252 5.343 3.194 1.00 0.00 C ATOM 255 CG TYR A 20 6.149 4.458 2.358 1.00 0.00 C ATOM 256 CD1 TYR A 20 6.829 4.966 1.258 1.00 0.00 C ATOM 257 CD2 TYR A 20 6.314 3.114 2.666 1.00 0.00 C ATOM 258 CE1 TYR A 20 7.648 4.161 0.490 1.00 0.00 C ATOM 259 CE2 TYR A 20 7.133 2.302 1.905 1.00 0.00 C ATOM 260 CZ TYR A 20 7.798 2.830 0.818 1.00 0.00 C ATOM 261 OH TYR A 20 8.613 2.024 0.057 1.00 0.00 O ATOM 0 H TYR A 20 6.725 4.470 4.980 1.00 0.00 H new ATOM 0 HA TYR A 20 6.769 6.814 3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.572 4.716 3.771 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.638 5.953 2.532 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.715 6.008 0.999 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.793 2.696 3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.168 4.572 -0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.252 1.259 2.160 1.00 0.00 H new ATOM 0 HH TYR A 20 9.210 1.514 0.644 1.00 0.00 H new ATOM 271 N GLY A 21 4.106 6.745 5.563 1.00 0.00 N ATOM 272 CA GLY A 21 3.140 7.605 6.221 1.00 0.00 C ATOM 273 C GLY A 21 1.747 7.007 6.236 1.00 0.00 C ATOM 274 O GLY A 21 0.996 7.186 7.195 1.00 0.00 O ATOM 0 H GLY A 21 3.987 5.748 5.745 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.463 7.792 7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.113 8.570 5.714 1.00 0.00 H new ATOM 278 N PHE A 22 1.399 6.295 5.169 1.00 0.00 N ATOM 279 CA PHE A 22 0.086 5.671 5.061 1.00 0.00 C ATOM 280 C PHE A 22 0.114 4.247 5.608 1.00 0.00 C ATOM 281 O PHE A 22 1.175 3.718 5.940 1.00 0.00 O ATOM 282 CB PHE A 22 -0.379 5.660 3.603 1.00 0.00 C ATOM 283 CG PHE A 22 0.335 4.649 2.753 1.00 0.00 C ATOM 284 CD1 PHE A 22 1.610 4.904 2.273 1.00 0.00 C ATOM 285 CD2 PHE A 22 -0.267 3.442 2.435 1.00 0.00 C ATOM 286 CE1 PHE A 22 2.269 3.976 1.490 1.00 0.00 C ATOM 287 CE2 PHE A 22 0.388 2.510 1.653 1.00 0.00 C ATOM 288 CZ PHE A 22 1.658 2.776 1.181 1.00 0.00 C ATOM 0 H PHE A 22 2.009 6.136 4.367 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.616 6.256 5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.449 5.457 3.573 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.231 6.652 3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.094 5.839 2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.260 3.227 2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.261 4.188 1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.093 1.574 1.411 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.173 2.048 0.572 1.00 0.00 H new ATOM 298 N HIS A 23 -1.061 3.631 5.699 1.00 0.00 N ATOM 299 CA HIS A 23 -1.172 2.268 6.206 1.00 0.00 C ATOM 300 C HIS A 23 -2.196 1.471 5.402 1.00 0.00 C ATOM 301 O HIS A 23 -2.839 2.003 4.497 1.00 0.00 O ATOM 302 CB HIS A 23 -1.565 2.281 7.683 1.00 0.00 C ATOM 303 CG HIS A 23 -0.416 2.548 8.606 1.00 0.00 C ATOM 304 ND1 HIS A 23 0.455 1.566 9.027 1.00 0.00 N ATOM 305 CD2 HIS A 23 0.004 3.696 9.188 1.00 0.00 C ATOM 306 CE1 HIS A 23 1.360 2.097 9.830 1.00 0.00 C ATOM 307 NE2 HIS A 23 1.109 3.389 9.943 1.00 0.00 N ATOM 0 H HIS A 23 -1.949 4.054 5.428 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.199 1.787 6.101 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -2.331 3.041 7.840 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -2.011 1.320 7.940 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -0.446 4.672 9.079 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.167 1.565 10.312 1.00 0.00 H new ATOM 0 HE2 HIS A 23 1.649 4.051 10.501 1.00 0.00 H new ATOM 316 N LEU A 24 -2.340 0.194 5.738 1.00 0.00 N ATOM 317 CA LEU A 24 -3.285 -0.677 5.048 1.00 0.00 C ATOM 318 C LEU A 24 -4.388 -1.142 5.993 1.00 0.00 C ATOM 319 O LEU A 24 -4.191 -1.212 7.205 1.00 0.00 O ATOM 320 CB LEU A 24 -2.558 -1.886 4.459 1.00 0.00 C ATOM 321 CG LEU A 24 -1.911 -1.679 3.089 1.00 0.00 C ATOM 322 CD1 LEU A 24 -0.913 -0.532 3.138 1.00 0.00 C ATOM 323 CD2 LEU A 24 -1.233 -2.959 2.620 1.00 0.00 C ATOM 0 H LEU A 24 -1.814 -0.261 6.484 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.742 -0.107 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.784 -2.196 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.268 -2.710 4.382 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.693 -1.423 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.463 -0.399 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.426 0.385 3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.134 -0.758 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.778 -2.793 1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.462 -3.246 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.973 -3.756 2.545 1.00 0.00 H new ATOM 335 N ASN A 25 -5.548 -1.462 5.429 1.00 0.00 N ATOM 336 CA ASN A 25 -6.682 -1.923 6.222 1.00 0.00 C ATOM 337 C ASN A 25 -7.551 -2.887 5.419 1.00 0.00 C ATOM 338 O ASN A 25 -7.887 -2.622 4.266 1.00 0.00 O ATOM 339 CB ASN A 25 -7.521 -0.733 6.691 1.00 0.00 C ATOM 340 CG ASN A 25 -8.441 -1.091 7.842 1.00 0.00 C ATOM 341 OD1 ASN A 25 -9.663 -0.984 7.731 1.00 0.00 O ATOM 342 ND2 ASN A 25 -7.857 -1.519 8.955 1.00 0.00 N ATOM 0 H ASN A 25 -5.728 -1.411 4.426 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.294 -2.451 7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.859 0.077 6.997 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.115 -0.360 5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.425 -1.775 9.763 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -6.841 -1.592 9.002 1.00 0.00 H new ATOM 349 N ALA A 26 -7.911 -4.006 6.039 1.00 0.00 N ATOM 350 CA ALA A 26 -8.742 -5.009 5.384 1.00 0.00 C ATOM 351 C ALA A 26 -10.223 -4.687 5.551 1.00 0.00 C ATOM 352 O ALA A 26 -10.817 -4.973 6.591 1.00 0.00 O ATOM 353 CB ALA A 26 -8.435 -6.392 5.937 1.00 0.00 C ATOM 0 H ALA A 26 -7.640 -4.241 6.994 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.512 -4.997 4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.063 -7.131 5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.386 -6.630 5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.636 -6.408 7.008 1.00 0.00 H new ATOM 359 N ILE A 27 -10.814 -4.091 4.521 1.00 0.00 N ATOM 360 CA ILE A 27 -12.226 -3.732 4.554 1.00 0.00 C ATOM 361 C ILE A 27 -13.109 -4.947 4.292 1.00 0.00 C ATOM 362 O ILE A 27 -13.357 -5.311 3.142 1.00 0.00 O ATOM 363 CB ILE A 27 -12.554 -2.640 3.518 1.00 0.00 C ATOM 364 CG1 ILE A 27 -11.498 -1.534 3.559 1.00 0.00 C ATOM 365 CG2 ILE A 27 -13.940 -2.067 3.773 1.00 0.00 C ATOM 366 CD1 ILE A 27 -11.765 -0.483 4.614 1.00 0.00 C ATOM 0 H ILE A 27 -10.337 -3.847 3.653 1.00 0.00 H new ATOM 0 HA ILE A 27 -12.430 -3.347 5.553 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.545 -3.088 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.521 -1.982 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.449 -1.053 2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -14.157 -1.297 3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -14.682 -2.862 3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -13.975 -1.631 4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.977 0.269 4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.727 -0.008 4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.784 -0.952 5.598 1.00 0.00 H new ATOM 378 N ARG A 28 -13.583 -5.570 5.366 1.00 0.00 N ATOM 379 CA ARG A 28 -14.440 -6.744 5.253 1.00 0.00 C ATOM 380 C ARG A 28 -15.357 -6.633 4.038 1.00 0.00 C ATOM 381 O ARG A 28 -15.969 -5.592 3.803 1.00 0.00 O ATOM 382 CB ARG A 28 -15.276 -6.917 6.522 1.00 0.00 C ATOM 383 CG ARG A 28 -14.617 -7.800 7.569 1.00 0.00 C ATOM 384 CD ARG A 28 -13.439 -7.099 8.228 1.00 0.00 C ATOM 385 NE ARG A 28 -13.866 -5.979 9.063 1.00 0.00 N ATOM 386 CZ ARG A 28 -13.065 -5.354 9.919 1.00 0.00 C ATOM 387 NH1 ARG A 28 -11.803 -5.738 10.052 1.00 0.00 N ATOM 388 NH2 ARG A 28 -13.527 -4.343 10.643 1.00 0.00 N ATOM 0 H ARG A 28 -13.388 -5.281 6.325 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.801 -7.618 5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -15.470 -5.936 6.956 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -16.243 -7.344 6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -15.349 -8.075 8.328 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -14.277 -8.726 7.104 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.886 -7.814 8.836 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.756 -6.738 7.459 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.831 -5.659 8.985 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.445 -6.515 9.496 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.190 -5.256 10.710 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.497 -4.045 10.543 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.912 -3.863 11.300 1.00 0.00 H new ATOM 402 N GLY A 29 -15.446 -7.714 3.269 1.00 0.00 N ATOM 403 CA GLY A 29 -16.289 -7.716 2.088 1.00 0.00 C ATOM 404 C GLY A 29 -15.497 -7.913 0.810 1.00 0.00 C ATOM 405 O GLY A 29 -15.634 -8.936 0.137 1.00 0.00 O ATOM 0 H GLY A 29 -14.950 -8.588 3.443 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.032 -8.509 2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.834 -6.773 2.033 1.00 0.00 H new ATOM 409 N LEU A 30 -14.668 -6.932 0.473 1.00 0.00 N ATOM 410 CA LEU A 30 -13.852 -7.000 -0.734 1.00 0.00 C ATOM 411 C LEU A 30 -12.420 -7.407 -0.400 1.00 0.00 C ATOM 412 O LEU A 30 -11.867 -7.032 0.633 1.00 0.00 O ATOM 413 CB LEU A 30 -13.856 -5.651 -1.454 1.00 0.00 C ATOM 414 CG LEU A 30 -15.165 -5.262 -2.143 1.00 0.00 C ATOM 415 CD1 LEU A 30 -15.114 -3.815 -2.609 1.00 0.00 C ATOM 416 CD2 LEU A 30 -15.447 -6.192 -3.315 1.00 0.00 C ATOM 0 H LEU A 30 -14.543 -6.079 1.019 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.282 -7.756 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -13.605 -4.875 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.063 -5.659 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.976 -5.361 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.054 -3.556 -3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.959 -3.162 -1.750 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.293 -3.689 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.382 -5.901 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.633 -6.124 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.528 -7.217 -2.954 1.00 0.00 H new ATOM 428 N PRO A 31 -11.803 -8.191 -1.297 1.00 0.00 N ATOM 429 CA PRO A 31 -10.427 -8.664 -1.121 1.00 0.00 C ATOM 430 C PRO A 31 -9.406 -7.539 -1.257 1.00 0.00 C ATOM 431 O PRO A 31 -9.760 -6.398 -1.553 1.00 0.00 O ATOM 432 CB PRO A 31 -10.254 -9.682 -2.251 1.00 0.00 C ATOM 433 CG PRO A 31 -11.232 -9.261 -3.293 1.00 0.00 C ATOM 434 CD PRO A 31 -12.402 -8.677 -2.551 1.00 0.00 C ATOM 0 HA PRO A 31 -10.263 -9.079 -0.127 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.235 -9.674 -2.638 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -10.456 -10.696 -1.905 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.792 -8.527 -3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.541 -10.109 -3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.871 -7.869 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.173 -9.424 -2.365 1.00 0.00 H new ATOM 442 N GLY A 32 -8.136 -7.868 -1.040 1.00 0.00 N ATOM 443 CA GLY A 32 -7.084 -6.874 -1.143 1.00 0.00 C ATOM 444 C GLY A 32 -7.009 -5.979 0.078 1.00 0.00 C ATOM 445 O GLY A 32 -7.645 -6.253 1.096 1.00 0.00 O ATOM 0 H GLY A 32 -7.817 -8.805 -0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.126 -7.376 -1.281 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.253 -6.261 -2.029 1.00 0.00 H new ATOM 449 N SER A 33 -6.230 -4.907 -0.022 1.00 0.00 N ATOM 450 CA SER A 33 -6.070 -3.972 1.085 1.00 0.00 C ATOM 451 C SER A 33 -6.477 -2.562 0.668 1.00 0.00 C ATOM 452 O SER A 33 -6.639 -2.276 -0.518 1.00 0.00 O ATOM 453 CB SER A 33 -4.621 -3.973 1.575 1.00 0.00 C ATOM 454 OG SER A 33 -3.714 -3.918 0.488 1.00 0.00 O ATOM 0 H SER A 33 -5.700 -4.664 -0.859 1.00 0.00 H new ATOM 0 HA SER A 33 -6.721 -4.294 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.456 -3.120 2.233 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.434 -4.871 2.164 1.00 0.00 H new ATOM 0 HG SER A 33 -3.687 -4.789 0.040 1.00 0.00 H new ATOM 460 N PHE A 34 -6.640 -1.685 1.653 1.00 0.00 N ATOM 461 CA PHE A 34 -7.029 -0.304 1.390 1.00 0.00 C ATOM 462 C PHE A 34 -6.120 0.668 2.136 1.00 0.00 C ATOM 463 O PHE A 34 -5.627 0.364 3.222 1.00 0.00 O ATOM 464 CB PHE A 34 -8.485 -0.076 1.800 1.00 0.00 C ATOM 465 CG PHE A 34 -9.444 -1.049 1.175 1.00 0.00 C ATOM 466 CD1 PHE A 34 -9.395 -2.395 1.499 1.00 0.00 C ATOM 467 CD2 PHE A 34 -10.394 -0.617 0.264 1.00 0.00 C ATOM 468 CE1 PHE A 34 -10.275 -3.293 0.925 1.00 0.00 C ATOM 469 CE2 PHE A 34 -11.278 -1.510 -0.313 1.00 0.00 C ATOM 470 CZ PHE A 34 -11.218 -2.849 0.019 1.00 0.00 C ATOM 0 H PHE A 34 -6.509 -1.906 2.640 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.927 -0.121 0.320 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.564 -0.147 2.885 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.777 0.937 1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.661 -2.747 2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.445 0.429 0.001 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.225 -4.340 1.185 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.014 -1.161 -1.022 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.908 -3.548 -0.429 1.00 0.00 H new ATOM 480 N ILE A 35 -5.904 1.838 1.545 1.00 0.00 N ATOM 481 CA ILE A 35 -5.055 2.856 2.153 1.00 0.00 C ATOM 482 C ILE A 35 -5.797 3.602 3.256 1.00 0.00 C ATOM 483 O ILE A 35 -6.853 4.191 3.022 1.00 0.00 O ATOM 484 CB ILE A 35 -4.556 3.871 1.108 1.00 0.00 C ATOM 485 CG1 ILE A 35 -3.746 3.160 0.021 1.00 0.00 C ATOM 486 CG2 ILE A 35 -3.721 4.952 1.776 1.00 0.00 C ATOM 487 CD1 ILE A 35 -3.185 4.098 -1.024 1.00 0.00 C ATOM 0 H ILE A 35 -6.305 2.105 0.646 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.197 2.337 2.581 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.420 4.344 0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.925 2.616 0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.380 2.421 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.376 5.662 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.327 5.474 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.861 4.496 2.267 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.623 3.526 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.002 4.623 -1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.525 4.822 -0.546 1.00 0.00 H new ATOM 499 N LYS A 36 -5.237 3.576 4.461 1.00 0.00 N ATOM 500 CA LYS A 36 -5.842 4.252 5.602 1.00 0.00 C ATOM 501 C LYS A 36 -4.783 4.962 6.438 1.00 0.00 C ATOM 502 O LYS A 36 -3.628 4.540 6.481 1.00 0.00 O ATOM 503 CB LYS A 36 -6.605 3.249 6.470 1.00 0.00 C ATOM 504 CG LYS A 36 -7.480 3.901 7.526 1.00 0.00 C ATOM 505 CD LYS A 36 -8.881 4.170 7.001 1.00 0.00 C ATOM 506 CE LYS A 36 -8.906 5.374 6.072 1.00 0.00 C ATOM 507 NZ LYS A 36 -10.242 6.032 6.053 1.00 0.00 N ATOM 0 H LYS A 36 -4.364 3.093 4.672 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.540 4.998 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.228 2.626 5.828 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.890 2.588 6.960 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.537 3.255 8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.025 4.838 7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.247 3.291 6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.558 4.341 7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.151 6.093 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.642 5.059 5.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.254 6.772 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.974 5.325 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.432 6.459 6.982 1.00 0.00 H new ATOM 521 N GLU A 37 -5.184 6.041 7.103 1.00 0.00 N ATOM 522 CA GLU A 37 -4.268 6.808 7.938 1.00 0.00 C ATOM 523 C GLU A 37 -3.121 7.377 7.108 1.00 0.00 C ATOM 524 O GLU A 37 -1.960 7.323 7.512 1.00 0.00 O ATOM 525 CB GLU A 37 -3.712 5.931 9.062 1.00 0.00 C ATOM 526 CG GLU A 37 -4.708 4.912 9.589 1.00 0.00 C ATOM 527 CD GLU A 37 -4.378 4.445 10.993 1.00 0.00 C ATOM 528 OE1 GLU A 37 -4.742 5.153 11.955 1.00 0.00 O ATOM 529 OE2 GLU A 37 -3.756 3.371 11.129 1.00 0.00 O ATOM 0 H GLU A 37 -6.137 6.403 7.079 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.824 7.638 8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.827 5.408 8.699 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.390 6.570 9.884 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.707 5.348 9.581 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.730 4.052 8.920 1.00 0.00 H new ATOM 536 N VAL A 38 -3.456 7.924 5.943 1.00 0.00 N ATOM 537 CA VAL A 38 -2.456 8.504 5.055 1.00 0.00 C ATOM 538 C VAL A 38 -2.252 9.985 5.350 1.00 0.00 C ATOM 539 O VAL A 38 -3.093 10.817 5.008 1.00 0.00 O ATOM 540 CB VAL A 38 -2.854 8.336 3.576 1.00 0.00 C ATOM 541 CG1 VAL A 38 -4.326 8.663 3.378 1.00 0.00 C ATOM 542 CG2 VAL A 38 -1.980 9.209 2.688 1.00 0.00 C ATOM 0 H VAL A 38 -4.412 7.977 5.593 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.524 7.969 5.236 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.697 7.296 3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.588 8.539 2.327 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.933 7.991 3.985 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.513 9.694 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.274 9.078 1.647 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.103 10.254 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.936 8.921 2.809 1.00 0.00 H new ATOM 552 N GLN A 39 -1.131 10.308 5.986 1.00 0.00 N ATOM 553 CA GLN A 39 -0.817 11.690 6.327 1.00 0.00 C ATOM 554 C GLN A 39 -0.780 12.564 5.078 1.00 0.00 C ATOM 555 O GLN A 39 -0.436 12.099 3.991 1.00 0.00 O ATOM 556 CB GLN A 39 0.526 11.765 7.056 1.00 0.00 C ATOM 557 CG GLN A 39 0.849 13.150 7.595 1.00 0.00 C ATOM 558 CD GLN A 39 2.317 13.316 7.934 1.00 0.00 C ATOM 559 OE1 GLN A 39 2.706 13.268 9.101 1.00 0.00 O ATOM 560 NE2 GLN A 39 3.142 13.514 6.912 1.00 0.00 N ATOM 0 H GLN A 39 -0.425 9.631 6.276 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.602 12.062 6.986 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.522 11.054 7.883 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.318 11.456 6.374 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.564 13.899 6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 39 0.251 13.337 8.487 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.776 13.547 5.960 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.141 13.633 7.079 1.00 0.00 H new ATOM 569 N LYS A 40 -1.138 13.834 5.239 1.00 0.00 N ATOM 570 CA LYS A 40 -1.145 14.774 4.125 1.00 0.00 C ATOM 571 C LYS A 40 0.197 15.491 4.009 1.00 0.00 C ATOM 572 O LYS A 40 0.592 16.238 4.903 1.00 0.00 O ATOM 573 CB LYS A 40 -2.268 15.799 4.303 1.00 0.00 C ATOM 574 CG LYS A 40 -2.565 16.600 3.048 1.00 0.00 C ATOM 575 CD LYS A 40 -3.466 15.831 2.096 1.00 0.00 C ATOM 576 CE LYS A 40 -4.102 16.752 1.065 1.00 0.00 C ATOM 577 NZ LYS A 40 -5.361 16.178 0.512 1.00 0.00 N ATOM 0 H LYS A 40 -1.427 14.235 6.131 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.317 14.210 3.208 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.175 15.281 4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.999 16.485 5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.041 17.542 3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.631 16.849 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.887 15.060 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.246 15.323 2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.313 17.719 1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.397 16.931 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.764 16.834 -0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.155 15.268 0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.043 16.031 1.283 1.00 0.00 H new ATOM 591 N GLY A 41 0.893 15.259 2.900 1.00 0.00 N ATOM 592 CA GLY A 41 2.182 15.890 2.688 1.00 0.00 C ATOM 593 C GLY A 41 3.313 14.885 2.603 1.00 0.00 C ATOM 594 O GLY A 41 4.477 15.260 2.472 1.00 0.00 O ATOM 0 H GLY A 41 0.587 14.645 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.150 16.475 1.769 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.380 16.587 3.502 1.00 0.00 H new ATOM 598 N GLY A 42 2.971 13.603 2.681 1.00 0.00 N ATOM 599 CA GLY A 42 3.978 12.560 2.613 1.00 0.00 C ATOM 600 C GLY A 42 4.115 11.977 1.220 1.00 0.00 C ATOM 601 O GLY A 42 3.739 12.596 0.225 1.00 0.00 O ATOM 0 H GLY A 42 2.014 13.268 2.790 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.939 12.966 2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.721 11.765 3.313 1.00 0.00 H new ATOM 605 N PRO A 43 4.668 10.758 1.138 1.00 0.00 N ATOM 606 CA PRO A 43 4.868 10.064 -0.138 1.00 0.00 C ATOM 607 C PRO A 43 3.552 9.618 -0.768 1.00 0.00 C ATOM 608 O PRO A 43 3.328 9.814 -1.962 1.00 0.00 O ATOM 609 CB PRO A 43 5.715 8.849 0.247 1.00 0.00 C ATOM 610 CG PRO A 43 5.399 8.607 1.683 1.00 0.00 C ATOM 611 CD PRO A 43 5.139 9.961 2.283 1.00 0.00 C ATOM 0 HA PRO A 43 5.336 10.708 -0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 43 5.465 7.982 -0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.777 9.045 0.103 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.528 7.960 1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.228 8.109 2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.390 9.913 3.074 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.041 10.385 2.724 1.00 0.00 H new ATOM 619 N ALA A 44 2.686 9.019 0.042 1.00 0.00 N ATOM 620 CA ALA A 44 1.392 8.548 -0.436 1.00 0.00 C ATOM 621 C ALA A 44 0.579 9.691 -1.035 1.00 0.00 C ATOM 622 O ALA A 44 0.195 9.646 -2.203 1.00 0.00 O ATOM 623 CB ALA A 44 0.621 7.886 0.696 1.00 0.00 C ATOM 0 H ALA A 44 2.857 8.848 1.033 1.00 0.00 H new ATOM 0 HA ALA A 44 1.568 7.812 -1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.343 7.539 0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.190 7.038 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.463 8.606 1.499 1.00 0.00 H new ATOM 629 N ASP A 45 0.321 10.713 -0.227 1.00 0.00 N ATOM 630 CA ASP A 45 -0.447 11.869 -0.678 1.00 0.00 C ATOM 631 C ASP A 45 0.166 12.470 -1.939 1.00 0.00 C ATOM 632 O ASP A 45 -0.461 12.486 -2.999 1.00 0.00 O ATOM 633 CB ASP A 45 -0.513 12.926 0.426 1.00 0.00 C ATOM 634 CG ASP A 45 -1.354 14.124 0.030 1.00 0.00 C ATOM 635 OD1 ASP A 45 -2.372 13.929 -0.666 1.00 0.00 O ATOM 636 OD2 ASP A 45 -0.994 15.255 0.416 1.00 0.00 O ATOM 0 H ASP A 45 0.632 10.765 0.743 1.00 0.00 H new ATOM 0 HA ASP A 45 -1.458 11.535 -0.911 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.926 12.478 1.330 1.00 0.00 H new ATOM 0 HB3 ASP A 45 0.497 13.258 0.668 1.00 0.00 H new ATOM 641 N LEU A 46 1.393 12.964 -1.817 1.00 0.00 N ATOM 642 CA LEU A 46 2.091 13.567 -2.947 1.00 0.00 C ATOM 643 C LEU A 46 1.909 12.730 -4.209 1.00 0.00 C ATOM 644 O LEU A 46 1.534 13.248 -5.260 1.00 0.00 O ATOM 645 CB LEU A 46 3.580 13.718 -2.630 1.00 0.00 C ATOM 646 CG LEU A 46 3.936 14.734 -1.545 1.00 0.00 C ATOM 647 CD1 LEU A 46 5.341 14.484 -1.020 1.00 0.00 C ATOM 648 CD2 LEU A 46 3.808 16.153 -2.080 1.00 0.00 C ATOM 0 H LEU A 46 1.925 12.959 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 46 1.662 14.553 -3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.967 12.745 -2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.099 13.998 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 46 3.235 14.615 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.577 15.217 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.398 13.481 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.056 14.575 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.065 16.863 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.484 16.286 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.783 16.328 -2.405 1.00 0.00 H new ATOM 660 N ALA A 47 2.176 11.433 -4.096 1.00 0.00 N ATOM 661 CA ALA A 47 2.038 10.523 -5.226 1.00 0.00 C ATOM 662 C ALA A 47 0.623 10.561 -5.792 1.00 0.00 C ATOM 663 O ALA A 47 0.426 10.483 -7.004 1.00 0.00 O ATOM 664 CB ALA A 47 2.404 9.106 -4.811 1.00 0.00 C ATOM 0 H ALA A 47 2.489 10.989 -3.233 1.00 0.00 H new ATOM 0 HA ALA A 47 2.723 10.849 -6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.296 8.437 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.436 9.084 -4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.742 8.779 -4.009 1.00 0.00 H new ATOM 670 N GLY A 48 -0.361 10.682 -4.906 1.00 0.00 N ATOM 671 CA GLY A 48 -1.746 10.727 -5.337 1.00 0.00 C ATOM 672 C GLY A 48 -2.587 9.636 -4.705 1.00 0.00 C ATOM 673 O GLY A 48 -3.589 9.204 -5.275 1.00 0.00 O ATOM 0 H GLY A 48 -0.224 10.750 -3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.170 11.699 -5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.789 10.631 -6.422 1.00 0.00 H new ATOM 677 N LEU A 49 -2.178 9.187 -3.523 1.00 0.00 N ATOM 678 CA LEU A 49 -2.900 8.137 -2.812 1.00 0.00 C ATOM 679 C LEU A 49 -3.839 8.733 -1.768 1.00 0.00 C ATOM 680 O LEU A 49 -3.477 9.672 -1.059 1.00 0.00 O ATOM 681 CB LEU A 49 -1.915 7.178 -2.142 1.00 0.00 C ATOM 682 CG LEU A 49 -1.061 6.327 -3.082 1.00 0.00 C ATOM 683 CD1 LEU A 49 0.015 5.587 -2.303 1.00 0.00 C ATOM 684 CD2 LEU A 49 -1.933 5.346 -3.852 1.00 0.00 C ATOM 0 H LEU A 49 -1.351 9.533 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.498 7.585 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.249 7.760 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.477 6.510 -1.489 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.573 6.989 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.613 4.987 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.658 6.307 -1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.453 4.936 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.309 4.748 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.449 4.690 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.667 5.896 -4.441 1.00 0.00 H new ATOM 696 N GLU A 50 -5.044 8.179 -1.678 1.00 0.00 N ATOM 697 CA GLU A 50 -6.033 8.656 -0.719 1.00 0.00 C ATOM 698 C GLU A 50 -6.335 7.587 0.327 1.00 0.00 C ATOM 699 O GLU A 50 -5.900 6.442 0.204 1.00 0.00 O ATOM 700 CB GLU A 50 -7.322 9.059 -1.439 1.00 0.00 C ATOM 701 CG GLU A 50 -8.100 10.153 -0.728 1.00 0.00 C ATOM 702 CD GLU A 50 -9.078 10.863 -1.643 1.00 0.00 C ATOM 703 OE1 GLU A 50 -8.669 11.837 -2.309 1.00 0.00 O ATOM 704 OE2 GLU A 50 -10.254 10.443 -1.694 1.00 0.00 O ATOM 0 H GLU A 50 -5.358 7.400 -2.257 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.620 9.529 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.076 9.396 -2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.959 8.181 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.643 9.720 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.401 10.880 -0.315 1.00 0.00 H new ATOM 711 N ASP A 51 -7.083 7.970 1.357 1.00 0.00 N ATOM 712 CA ASP A 51 -7.444 7.046 2.425 1.00 0.00 C ATOM 713 C ASP A 51 -8.578 6.124 1.986 1.00 0.00 C ATOM 714 O ASP A 51 -9.082 5.326 2.775 1.00 0.00 O ATOM 715 CB ASP A 51 -7.855 7.818 3.680 1.00 0.00 C ATOM 716 CG ASP A 51 -9.291 8.300 3.618 1.00 0.00 C ATOM 717 OD1 ASP A 51 -10.191 7.539 4.030 1.00 0.00 O ATOM 718 OD2 ASP A 51 -9.516 9.439 3.156 1.00 0.00 O ATOM 0 H ASP A 51 -7.451 8.914 1.474 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.571 6.435 2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.726 7.180 4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.193 8.674 3.810 1.00 0.00 H new ATOM 723 N GLU A 52 -8.973 6.242 0.722 1.00 0.00 N ATOM 724 CA GLU A 52 -10.049 5.420 0.179 1.00 0.00 C ATOM 725 C GLU A 52 -9.548 4.567 -0.983 1.00 0.00 C ATOM 726 O GLU A 52 -10.274 3.719 -1.503 1.00 0.00 O ATOM 727 CB GLU A 52 -11.210 6.302 -0.284 1.00 0.00 C ATOM 728 CG GLU A 52 -11.780 7.185 0.813 1.00 0.00 C ATOM 729 CD GLU A 52 -12.379 6.385 1.954 1.00 0.00 C ATOM 730 OE1 GLU A 52 -12.769 5.221 1.722 1.00 0.00 O ATOM 731 OE2 GLU A 52 -12.457 6.923 3.078 1.00 0.00 O ATOM 0 H GLU A 52 -8.565 6.898 0.056 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.400 4.756 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.871 6.932 -1.106 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.004 5.666 -0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.992 7.830 1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.545 7.836 0.390 1.00 0.00 H new ATOM 738 N ASP A 53 -8.303 4.797 -1.384 1.00 0.00 N ATOM 739 CA ASP A 53 -7.704 4.050 -2.484 1.00 0.00 C ATOM 740 C ASP A 53 -7.436 2.605 -2.077 1.00 0.00 C ATOM 741 O ASP A 53 -7.201 2.312 -0.904 1.00 0.00 O ATOM 742 CB ASP A 53 -6.403 4.717 -2.933 1.00 0.00 C ATOM 743 CG ASP A 53 -6.645 5.935 -3.801 1.00 0.00 C ATOM 744 OD1 ASP A 53 -7.664 6.624 -3.585 1.00 0.00 O ATOM 745 OD2 ASP A 53 -5.818 6.199 -4.699 1.00 0.00 O ATOM 0 H ASP A 53 -7.689 5.495 -0.964 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.408 4.049 -3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.827 5.009 -2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.800 3.996 -3.485 1.00 0.00 H new ATOM 750 N VAL A 54 -7.473 1.703 -3.053 1.00 0.00 N ATOM 751 CA VAL A 54 -7.234 0.288 -2.797 1.00 0.00 C ATOM 752 C VAL A 54 -5.971 -0.193 -3.503 1.00 0.00 C ATOM 753 O VAL A 54 -5.554 0.381 -4.510 1.00 0.00 O ATOM 754 CB VAL A 54 -8.425 -0.574 -3.255 1.00 0.00 C ATOM 755 CG1 VAL A 54 -9.736 0.027 -2.772 1.00 0.00 C ATOM 756 CG2 VAL A 54 -8.423 -0.724 -4.769 1.00 0.00 C ATOM 0 H VAL A 54 -7.666 1.928 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.108 0.178 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.324 -1.566 -2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.566 -0.596 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.734 0.077 -1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.849 1.031 -3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.271 -1.336 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.499 0.260 -5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.497 -1.203 -5.086 1.00 0.00 H new ATOM 766 N ILE A 55 -5.367 -1.249 -2.970 1.00 0.00 N ATOM 767 CA ILE A 55 -4.153 -1.808 -3.550 1.00 0.00 C ATOM 768 C ILE A 55 -4.464 -3.038 -4.397 1.00 0.00 C ATOM 769 O ILE A 55 -4.864 -4.079 -3.875 1.00 0.00 O ATOM 770 CB ILE A 55 -3.134 -2.194 -2.461 1.00 0.00 C ATOM 771 CG1 ILE A 55 -2.713 -0.957 -1.665 1.00 0.00 C ATOM 772 CG2 ILE A 55 -1.921 -2.867 -3.085 1.00 0.00 C ATOM 773 CD1 ILE A 55 -2.340 -1.259 -0.231 1.00 0.00 C ATOM 0 H ILE A 55 -5.699 -1.735 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.721 -1.033 -4.183 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.605 -2.900 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.864 -0.487 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.528 -0.234 -1.675 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.210 -3.134 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.236 -3.768 -3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.447 -2.182 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.052 -0.336 0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.194 -1.701 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.504 -1.958 -0.212 1.00 0.00 H new ATOM 785 N ILE A 56 -4.276 -2.910 -5.706 1.00 0.00 N ATOM 786 CA ILE A 56 -4.534 -4.012 -6.626 1.00 0.00 C ATOM 787 C ILE A 56 -3.278 -4.848 -6.847 1.00 0.00 C ATOM 788 O ILE A 56 -3.237 -6.028 -6.500 1.00 0.00 O ATOM 789 CB ILE A 56 -5.044 -3.502 -7.986 1.00 0.00 C ATOM 790 CG1 ILE A 56 -6.444 -2.902 -7.839 1.00 0.00 C ATOM 791 CG2 ILE A 56 -5.050 -4.630 -9.006 1.00 0.00 C ATOM 792 CD1 ILE A 56 -6.972 -2.280 -9.112 1.00 0.00 C ATOM 0 H ILE A 56 -3.946 -2.055 -6.154 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.305 -4.632 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 56 -4.371 -2.721 -8.340 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.132 -3.682 -7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.425 -2.145 -7.055 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.413 -4.254 -9.962 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.038 -5.015 -9.128 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.704 -5.431 -8.659 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.968 -1.875 -8.933 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.306 -1.478 -9.428 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.023 -3.038 -9.893 1.00 0.00 H new ATOM 804 N GLU A 57 -2.255 -4.227 -7.426 1.00 0.00 N ATOM 805 CA GLU A 57 -0.997 -4.915 -7.693 1.00 0.00 C ATOM 806 C GLU A 57 0.155 -4.254 -6.941 1.00 0.00 C ATOM 807 O GLU A 57 0.040 -3.118 -6.481 1.00 0.00 O ATOM 808 CB GLU A 57 -0.703 -4.923 -9.194 1.00 0.00 C ATOM 809 CG GLU A 57 -1.667 -5.778 -9.999 1.00 0.00 C ATOM 810 CD GLU A 57 -1.808 -5.307 -11.433 1.00 0.00 C ATOM 811 OE1 GLU A 57 -0.894 -4.607 -11.919 1.00 0.00 O ATOM 812 OE2 GLU A 57 -2.830 -5.637 -12.069 1.00 0.00 O ATOM 0 H GLU A 57 -2.273 -3.250 -7.719 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.094 -5.943 -7.344 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.739 -3.900 -9.568 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.312 -5.286 -9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.322 -6.812 -9.993 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.645 -5.766 -9.519 1.00 0.00 H new ATOM 819 N VAL A 58 1.266 -4.973 -6.821 1.00 0.00 N ATOM 820 CA VAL A 58 2.440 -4.457 -6.126 1.00 0.00 C ATOM 821 C VAL A 58 3.723 -4.849 -6.850 1.00 0.00 C ATOM 822 O VAL A 58 4.029 -6.032 -6.995 1.00 0.00 O ATOM 823 CB VAL A 58 2.504 -4.971 -4.675 1.00 0.00 C ATOM 824 CG1 VAL A 58 2.437 -6.490 -4.643 1.00 0.00 C ATOM 825 CG2 VAL A 58 3.766 -4.470 -3.989 1.00 0.00 C ATOM 0 H VAL A 58 1.378 -5.915 -7.196 1.00 0.00 H new ATOM 0 HA VAL A 58 2.350 -3.371 -6.115 1.00 0.00 H new ATOM 0 HB VAL A 58 1.643 -4.582 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.484 -6.835 -3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.502 -6.823 -5.095 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.277 -6.903 -5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.796 -4.842 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.641 -4.828 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.767 -3.380 -3.979 1.00 0.00 H new ATOM 835 N ASN A 59 4.470 -3.847 -7.302 1.00 0.00 N ATOM 836 CA ASN A 59 5.722 -4.087 -8.011 1.00 0.00 C ATOM 837 C ASN A 59 5.483 -4.910 -9.273 1.00 0.00 C ATOM 838 O ASN A 59 6.353 -5.661 -9.711 1.00 0.00 O ATOM 839 CB ASN A 59 6.719 -4.806 -7.100 1.00 0.00 C ATOM 840 CG ASN A 59 7.455 -3.852 -6.181 1.00 0.00 C ATOM 841 OD1 ASN A 59 7.322 -2.633 -6.297 1.00 0.00 O ATOM 842 ND2 ASN A 59 8.237 -4.403 -5.260 1.00 0.00 N ATOM 0 H ASN A 59 4.231 -2.862 -7.190 1.00 0.00 H new ATOM 0 HA ASN A 59 6.137 -3.122 -8.301 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.190 -5.547 -6.501 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.441 -5.347 -7.712 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.757 -3.811 -4.612 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.317 -5.418 -5.200 1.00 0.00 H new ATOM 849 N GLY A 60 4.296 -4.762 -9.854 1.00 0.00 N ATOM 850 CA GLY A 60 3.963 -5.498 -11.060 1.00 0.00 C ATOM 851 C GLY A 60 3.541 -6.925 -10.771 1.00 0.00 C ATOM 852 O GLY A 60 4.180 -7.873 -11.228 1.00 0.00 O ATOM 0 H GLY A 60 3.559 -4.146 -9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.158 -4.984 -11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.825 -5.505 -11.727 1.00 0.00 H new ATOM 856 N VAL A 61 2.464 -7.079 -10.009 1.00 0.00 N ATOM 857 CA VAL A 61 1.957 -8.401 -9.659 1.00 0.00 C ATOM 858 C VAL A 61 0.591 -8.306 -8.989 1.00 0.00 C ATOM 859 O VAL A 61 0.343 -7.408 -8.185 1.00 0.00 O ATOM 860 CB VAL A 61 2.927 -9.142 -8.719 1.00 0.00 C ATOM 861 CG1 VAL A 61 2.761 -8.656 -7.288 1.00 0.00 C ATOM 862 CG2 VAL A 61 2.709 -10.645 -8.809 1.00 0.00 C ATOM 0 H VAL A 61 1.925 -6.305 -9.622 1.00 0.00 H new ATOM 0 HA VAL A 61 1.864 -8.961 -10.589 1.00 0.00 H new ATOM 0 HB VAL A 61 3.948 -8.925 -9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.454 -9.191 -6.639 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.970 -7.587 -7.240 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.739 -8.841 -6.957 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.402 -11.154 -8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.685 -10.882 -8.520 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.884 -10.977 -9.832 1.00 0.00 H new ATOM 872 N ASN A 62 -0.293 -9.240 -9.326 1.00 0.00 N ATOM 873 CA ASN A 62 -1.636 -9.262 -8.758 1.00 0.00 C ATOM 874 C ASN A 62 -1.618 -9.831 -7.342 1.00 0.00 C ATOM 875 O ASN A 62 -1.138 -10.942 -7.115 1.00 0.00 O ATOM 876 CB ASN A 62 -2.573 -10.089 -9.641 1.00 0.00 C ATOM 877 CG ASN A 62 -4.034 -9.770 -9.391 1.00 0.00 C ATOM 878 OD1 ASN A 62 -4.638 -10.275 -8.444 1.00 0.00 O ATOM 879 ND2 ASN A 62 -4.609 -8.929 -10.242 1.00 0.00 N ATOM 0 H ASN A 62 -0.103 -9.991 -9.989 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.002 -8.236 -8.714 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.338 -9.904 -10.689 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.399 -11.149 -9.458 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.590 -8.677 -10.125 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.069 -8.535 -11.013 1.00 0.00 H new ATOM 886 N VAL A 63 -2.144 -9.063 -6.394 1.00 0.00 N ATOM 887 CA VAL A 63 -2.191 -9.491 -5.001 1.00 0.00 C ATOM 888 C VAL A 63 -3.587 -9.310 -4.417 1.00 0.00 C ATOM 889 O VAL A 63 -3.763 -9.274 -3.198 1.00 0.00 O ATOM 890 CB VAL A 63 -1.181 -8.709 -4.140 1.00 0.00 C ATOM 891 CG1 VAL A 63 0.245 -9.054 -4.543 1.00 0.00 C ATOM 892 CG2 VAL A 63 -1.430 -7.213 -4.255 1.00 0.00 C ATOM 0 H VAL A 63 -2.544 -8.140 -6.565 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.929 -10.549 -4.986 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.318 -8.998 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.944 -8.492 -3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.414 -10.122 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.400 -8.796 -5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.708 -6.676 -3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.322 -6.905 -5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.439 -6.985 -3.912 1.00 0.00 H new ATOM 902 N LEU A 64 -4.579 -9.198 -5.294 1.00 0.00 N ATOM 903 CA LEU A 64 -5.962 -9.021 -4.865 1.00 0.00 C ATOM 904 C LEU A 64 -6.412 -10.182 -3.984 1.00 0.00 C ATOM 905 O LEU A 64 -6.958 -9.976 -2.900 1.00 0.00 O ATOM 906 CB LEU A 64 -6.883 -8.904 -6.082 1.00 0.00 C ATOM 907 CG LEU A 64 -7.052 -7.500 -6.663 1.00 0.00 C ATOM 908 CD1 LEU A 64 -7.358 -7.571 -8.151 1.00 0.00 C ATOM 909 CD2 LEU A 64 -8.150 -6.747 -5.926 1.00 0.00 C ATOM 0 H LEU A 64 -4.451 -9.227 -6.306 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.021 -8.102 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.500 -9.556 -6.867 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.867 -9.282 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.116 -6.958 -6.531 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.475 -6.562 -8.547 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.539 -8.071 -8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.280 -8.131 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.257 -5.750 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.092 -7.287 -6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.889 -6.664 -4.871 1.00 0.00 H new ATOM 921 N ASP A 65 -6.176 -11.402 -4.454 1.00 0.00 N ATOM 922 CA ASP A 65 -6.553 -12.596 -3.707 1.00 0.00 C ATOM 923 C ASP A 65 -5.675 -12.763 -2.471 1.00 0.00 C ATOM 924 O ASP A 65 -6.073 -13.403 -1.498 1.00 0.00 O ATOM 925 CB ASP A 65 -6.444 -13.835 -4.597 1.00 0.00 C ATOM 926 CG ASP A 65 -7.020 -13.608 -5.980 1.00 0.00 C ATOM 927 OD1 ASP A 65 -6.392 -12.873 -6.771 1.00 0.00 O ATOM 928 OD2 ASP A 65 -8.098 -14.165 -6.273 1.00 0.00 O ATOM 0 H ASP A 65 -5.725 -11.590 -5.349 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.587 -12.481 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.397 -14.124 -4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.965 -14.667 -4.122 1.00 0.00 H new ATOM 933 N GLU A 66 -4.480 -12.184 -2.517 1.00 0.00 N ATOM 934 CA GLU A 66 -3.546 -12.271 -1.401 1.00 0.00 C ATOM 935 C GLU A 66 -4.116 -11.590 -0.160 1.00 0.00 C ATOM 936 O GLU A 66 -4.799 -10.569 -0.240 1.00 0.00 O ATOM 937 CB GLU A 66 -2.206 -11.633 -1.776 1.00 0.00 C ATOM 938 CG GLU A 66 -1.426 -12.422 -2.814 1.00 0.00 C ATOM 939 CD GLU A 66 -1.365 -13.904 -2.496 1.00 0.00 C ATOM 940 OE1 GLU A 66 -1.387 -14.255 -1.298 1.00 0.00 O ATOM 941 OE2 GLU A 66 -1.295 -14.712 -3.446 1.00 0.00 O ATOM 0 H GLU A 66 -4.136 -11.650 -3.315 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.387 -13.326 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.386 -10.627 -2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.598 -11.530 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.886 -12.283 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.412 -12.026 -2.880 1.00 0.00 H new ATOM 948 N PRO A 67 -3.829 -12.168 1.016 1.00 0.00 N ATOM 949 CA PRO A 67 -4.303 -11.634 2.296 1.00 0.00 C ATOM 950 C PRO A 67 -3.622 -10.321 2.665 1.00 0.00 C ATOM 951 O PRO A 67 -2.503 -10.047 2.231 1.00 0.00 O ATOM 952 CB PRO A 67 -3.929 -12.730 3.298 1.00 0.00 C ATOM 953 CG PRO A 67 -2.780 -13.440 2.670 1.00 0.00 C ATOM 954 CD PRO A 67 -3.020 -13.386 1.186 1.00 0.00 C ATOM 0 HA PRO A 67 -5.368 -11.404 2.272 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.653 -12.306 4.264 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.765 -13.407 3.474 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.836 -12.961 2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.721 -14.471 3.018 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.085 -13.328 0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.547 -14.272 0.832 1.00 0.00 H new ATOM 962 N TYR A 68 -4.304 -9.511 3.468 1.00 0.00 N ATOM 963 CA TYR A 68 -3.765 -8.225 3.893 1.00 0.00 C ATOM 964 C TYR A 68 -2.399 -8.397 4.551 1.00 0.00 C ATOM 965 O TYR A 68 -1.567 -7.491 4.524 1.00 0.00 O ATOM 966 CB TYR A 68 -4.728 -7.540 4.863 1.00 0.00 C ATOM 967 CG TYR A 68 -4.047 -6.595 5.827 1.00 0.00 C ATOM 968 CD1 TYR A 68 -3.377 -7.074 6.945 1.00 0.00 C ATOM 969 CD2 TYR A 68 -4.073 -5.221 5.618 1.00 0.00 C ATOM 970 CE1 TYR A 68 -2.754 -6.214 7.829 1.00 0.00 C ATOM 971 CE2 TYR A 68 -3.451 -4.353 6.495 1.00 0.00 C ATOM 972 CZ TYR A 68 -2.794 -4.854 7.599 1.00 0.00 C ATOM 973 OH TYR A 68 -2.173 -3.994 8.476 1.00 0.00 O ATOM 0 H TYR A 68 -5.231 -9.723 3.837 1.00 0.00 H new ATOM 0 HA TYR A 68 -3.646 -7.600 3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.474 -6.987 4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.262 -8.302 5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.342 -8.138 7.127 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.588 -4.825 4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.239 -6.604 8.695 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.479 -3.288 6.317 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.294 -3.071 8.170 1.00 0.00 H new ATOM 983 N GLU A 69 -2.177 -9.567 5.141 1.00 0.00 N ATOM 984 CA GLU A 69 -0.913 -9.859 5.807 1.00 0.00 C ATOM 985 C GLU A 69 0.173 -10.194 4.788 1.00 0.00 C ATOM 986 O GLU A 69 1.364 -10.045 5.062 1.00 0.00 O ATOM 987 CB GLU A 69 -1.084 -11.020 6.788 1.00 0.00 C ATOM 988 CG GLU A 69 -1.981 -10.692 7.970 1.00 0.00 C ATOM 989 CD GLU A 69 -1.258 -9.914 9.052 1.00 0.00 C ATOM 990 OE1 GLU A 69 -0.067 -10.202 9.296 1.00 0.00 O ATOM 991 OE2 GLU A 69 -1.883 -9.017 9.655 1.00 0.00 O ATOM 0 H GLU A 69 -2.856 -10.328 5.171 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.608 -8.970 6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.498 -11.876 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.103 -11.319 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.837 -10.114 7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.372 -11.618 8.393 1.00 0.00 H new ATOM 998 N LYS A 70 -0.247 -10.649 3.613 1.00 0.00 N ATOM 999 CA LYS A 70 0.688 -11.006 2.552 1.00 0.00 C ATOM 1000 C LYS A 70 1.123 -9.770 1.772 1.00 0.00 C ATOM 1001 O LYS A 70 2.311 -9.568 1.521 1.00 0.00 O ATOM 1002 CB LYS A 70 0.050 -12.023 1.603 1.00 0.00 C ATOM 1003 CG LYS A 70 0.650 -12.012 0.207 1.00 0.00 C ATOM 1004 CD LYS A 70 2.056 -12.587 0.201 1.00 0.00 C ATOM 1005 CE LYS A 70 2.043 -14.090 -0.038 1.00 0.00 C ATOM 1006 NZ LYS A 70 1.655 -14.842 1.187 1.00 0.00 N ATOM 0 H LYS A 70 -1.229 -10.779 3.371 1.00 0.00 H new ATOM 0 HA LYS A 70 1.569 -11.452 3.013 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.158 -13.021 2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.019 -11.820 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.017 -12.589 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.672 -10.991 -0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.646 -12.099 -0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.542 -12.373 1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.347 -14.324 -0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.031 -14.414 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.169 -15.746 1.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.893 -14.280 2.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.631 -15.026 1.172 1.00 0.00 H new ATOM 1020 N VAL A 71 0.153 -8.945 1.390 1.00 0.00 N ATOM 1021 CA VAL A 71 0.436 -7.727 0.641 1.00 0.00 C ATOM 1022 C VAL A 71 1.400 -6.824 1.403 1.00 0.00 C ATOM 1023 O VAL A 71 2.336 -6.270 0.827 1.00 0.00 O ATOM 1024 CB VAL A 71 -0.854 -6.942 0.336 1.00 0.00 C ATOM 1025 CG1 VAL A 71 -1.735 -7.718 -0.631 1.00 0.00 C ATOM 1026 CG2 VAL A 71 -1.604 -6.631 1.623 1.00 0.00 C ATOM 0 H VAL A 71 -0.836 -9.098 1.587 1.00 0.00 H new ATOM 0 HA VAL A 71 0.896 -8.034 -0.298 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.582 -5.998 -0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.642 -7.148 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.194 -7.885 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.002 -8.678 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.513 -6.076 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.866 -7.562 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.971 -6.032 2.277 1.00 0.00 H new ATOM 1036 N VAL A 72 1.164 -6.680 2.703 1.00 0.00 N ATOM 1037 CA VAL A 72 2.011 -5.845 3.546 1.00 0.00 C ATOM 1038 C VAL A 72 3.456 -6.333 3.527 1.00 0.00 C ATOM 1039 O VAL A 72 4.377 -5.566 3.245 1.00 0.00 O ATOM 1040 CB VAL A 72 1.508 -5.823 5.001 1.00 0.00 C ATOM 1041 CG1 VAL A 72 1.419 -7.236 5.557 1.00 0.00 C ATOM 1042 CG2 VAL A 72 2.413 -4.957 5.865 1.00 0.00 C ATOM 0 H VAL A 72 0.393 -7.131 3.195 1.00 0.00 H new ATOM 0 HA VAL A 72 1.965 -4.835 3.139 1.00 0.00 H new ATOM 0 HB VAL A 72 0.508 -5.389 5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.062 -7.200 6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.726 -7.822 4.953 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.405 -7.700 5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.042 -4.953 6.890 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.426 -5.359 5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.420 -3.938 5.478 1.00 0.00 H new ATOM 1052 N ASP A 73 3.646 -7.612 3.828 1.00 0.00 N ATOM 1053 CA ASP A 73 4.979 -8.204 3.844 1.00 0.00 C ATOM 1054 C ASP A 73 5.728 -7.891 2.552 1.00 0.00 C ATOM 1055 O ASP A 73 6.954 -7.777 2.546 1.00 0.00 O ATOM 1056 CB ASP A 73 4.886 -9.718 4.041 1.00 0.00 C ATOM 1057 CG ASP A 73 6.091 -10.282 4.767 1.00 0.00 C ATOM 1058 OD1 ASP A 73 6.454 -9.735 5.829 1.00 0.00 O ATOM 1059 OD2 ASP A 73 6.671 -11.272 4.274 1.00 0.00 O ATOM 0 H ASP A 73 2.894 -8.259 4.064 1.00 0.00 H new ATOM 0 HA ASP A 73 5.532 -7.771 4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.983 -9.953 4.604 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.791 -10.203 3.069 1.00 0.00 H new ATOM 1064 N ARG A 74 4.983 -7.755 1.460 1.00 0.00 N ATOM 1065 CA ARG A 74 5.576 -7.458 0.162 1.00 0.00 C ATOM 1066 C ARG A 74 6.079 -6.018 0.111 1.00 0.00 C ATOM 1067 O ARG A 74 7.208 -5.759 -0.308 1.00 0.00 O ATOM 1068 CB ARG A 74 4.557 -7.694 -0.954 1.00 0.00 C ATOM 1069 CG ARG A 74 4.281 -9.164 -1.226 1.00 0.00 C ATOM 1070 CD ARG A 74 3.900 -9.400 -2.679 1.00 0.00 C ATOM 1071 NE ARG A 74 3.611 -10.806 -2.948 1.00 0.00 N ATOM 1072 CZ ARG A 74 4.551 -11.730 -3.116 1.00 0.00 C ATOM 1073 NH1 ARG A 74 5.832 -11.398 -3.043 1.00 0.00 N ATOM 1074 NH2 ARG A 74 4.209 -12.989 -3.357 1.00 0.00 N ATOM 0 H ARG A 74 3.967 -7.846 1.449 1.00 0.00 H new ATOM 0 HA ARG A 74 6.425 -8.126 0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.622 -7.200 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.918 -7.225 -1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.165 -9.753 -0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.477 -9.510 -0.577 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.027 -8.797 -2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.712 -9.067 -3.325 1.00 0.00 H new ATOM 0 HE ARG A 74 2.635 -11.094 -3.010 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.098 -10.431 -2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.551 -12.109 -3.172 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.224 -13.248 -3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.931 -13.698 -3.486 1.00 0.00 H new ATOM 1088 N ILE A 75 5.234 -5.087 0.539 1.00 0.00 N ATOM 1089 CA ILE A 75 5.593 -3.674 0.542 1.00 0.00 C ATOM 1090 C ILE A 75 6.680 -3.385 1.572 1.00 0.00 C ATOM 1091 O ILE A 75 7.512 -2.500 1.378 1.00 0.00 O ATOM 1092 CB ILE A 75 4.372 -2.783 0.838 1.00 0.00 C ATOM 1093 CG1 ILE A 75 3.291 -2.994 -0.224 1.00 0.00 C ATOM 1094 CG2 ILE A 75 4.785 -1.320 0.898 1.00 0.00 C ATOM 1095 CD1 ILE A 75 1.989 -2.290 0.091 1.00 0.00 C ATOM 0 H ILE A 75 4.296 -5.285 0.888 1.00 0.00 H new ATOM 0 HA ILE A 75 5.969 -3.442 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 75 3.962 -3.064 1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.663 -2.639 -1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.101 -4.062 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.911 -0.704 1.108 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.524 -1.183 1.687 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.216 -1.024 -0.058 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.269 -2.483 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.594 -2.662 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.165 -1.217 0.168 1.00 0.00 H new ATOM 1107 N GLN A 76 6.667 -4.140 2.666 1.00 0.00 N ATOM 1108 CA GLN A 76 7.653 -3.966 3.726 1.00 0.00 C ATOM 1109 C GLN A 76 9.011 -4.514 3.301 1.00 0.00 C ATOM 1110 O GLN A 76 10.053 -3.971 3.667 1.00 0.00 O ATOM 1111 CB GLN A 76 7.185 -4.661 5.005 1.00 0.00 C ATOM 1112 CG GLN A 76 5.985 -3.994 5.657 1.00 0.00 C ATOM 1113 CD GLN A 76 6.380 -2.892 6.619 1.00 0.00 C ATOM 1114 OE1 GLN A 76 7.531 -2.456 6.642 1.00 0.00 O ATOM 1115 NE2 GLN A 76 5.425 -2.435 7.421 1.00 0.00 N ATOM 0 H GLN A 76 5.985 -4.878 2.841 1.00 0.00 H new ATOM 0 HA GLN A 76 7.758 -2.898 3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.934 -5.696 4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.009 -4.684 5.718 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.339 -3.580 4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.402 -4.745 6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.484 -2.826 7.368 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.632 -1.693 8.090 1.00 0.00 H new ATOM 1124 N SER A 77 8.992 -5.595 2.528 1.00 0.00 N ATOM 1125 CA SER A 77 10.222 -6.220 2.057 1.00 0.00 C ATOM 1126 C SER A 77 10.799 -5.457 0.869 1.00 0.00 C ATOM 1127 O SER A 77 12.000 -5.511 0.606 1.00 0.00 O ATOM 1128 CB SER A 77 9.962 -7.676 1.664 1.00 0.00 C ATOM 1129 OG SER A 77 11.171 -8.342 1.346 1.00 0.00 O ATOM 0 H SER A 77 8.138 -6.056 2.215 1.00 0.00 H new ATOM 0 HA SER A 77 10.947 -6.194 2.870 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.463 -8.193 2.483 1.00 0.00 H new ATOM 0 HB3 SER A 77 9.288 -7.710 0.808 1.00 0.00 H new ATOM 0 HG SER A 77 10.978 -9.271 1.100 1.00 0.00 H new ATOM 1135 N SER A 78 9.934 -4.744 0.154 1.00 0.00 N ATOM 1136 CA SER A 78 10.355 -3.972 -1.009 1.00 0.00 C ATOM 1137 C SER A 78 11.465 -2.993 -0.637 1.00 0.00 C ATOM 1138 O SER A 78 12.482 -2.901 -1.322 1.00 0.00 O ATOM 1139 CB SER A 78 9.167 -3.213 -1.601 1.00 0.00 C ATOM 1140 OG SER A 78 8.510 -3.986 -2.591 1.00 0.00 O ATOM 0 H SER A 78 8.937 -4.685 0.360 1.00 0.00 H new ATOM 0 HA SER A 78 10.741 -4.666 -1.755 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.464 -2.957 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.511 -2.275 -2.037 1.00 0.00 H new ATOM 0 HG SER A 78 7.964 -4.676 -2.159 1.00 0.00 H new ATOM 1146 N GLY A 79 11.259 -2.261 0.454 1.00 0.00 N ATOM 1147 CA GLY A 79 12.249 -1.297 0.898 1.00 0.00 C ATOM 1148 C GLY A 79 11.690 0.108 0.989 1.00 0.00 C ATOM 1149 O GLY A 79 10.571 0.311 1.462 1.00 0.00 O ATOM 0 H GLY A 79 10.425 -2.318 1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.631 -1.597 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 79 13.094 -1.305 0.209 1.00 0.00 H new ATOM 1153 N LYS A 80 12.470 1.084 0.536 1.00 0.00 N ATOM 1154 CA LYS A 80 12.047 2.479 0.568 1.00 0.00 C ATOM 1155 C LYS A 80 11.314 2.855 -0.716 1.00 0.00 C ATOM 1156 O LYS A 80 10.660 3.895 -0.786 1.00 0.00 O ATOM 1157 CB LYS A 80 13.258 3.396 0.763 1.00 0.00 C ATOM 1158 CG LYS A 80 14.345 3.198 -0.279 1.00 0.00 C ATOM 1159 CD LYS A 80 15.472 4.202 -0.106 1.00 0.00 C ATOM 1160 CE LYS A 80 16.136 4.529 -1.435 1.00 0.00 C ATOM 1161 NZ LYS A 80 16.881 5.817 -1.380 1.00 0.00 N ATOM 0 H LYS A 80 13.399 0.934 0.142 1.00 0.00 H new ATOM 0 HA LYS A 80 11.363 2.606 1.407 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.925 4.434 0.736 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.679 3.222 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.743 2.186 -0.203 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.917 3.298 -1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.081 5.116 0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.215 3.802 0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.820 3.725 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.378 4.581 -2.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 17.319 6.004 -2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.224 6.588 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 17.621 5.759 -0.652 1.00 0.00 H new ATOM 1175 N ASN A 81 11.427 2.001 -1.728 1.00 0.00 N ATOM 1176 CA ASN A 81 10.773 2.244 -3.009 1.00 0.00 C ATOM 1177 C ASN A 81 9.836 1.095 -3.368 1.00 0.00 C ATOM 1178 O ASN A 81 10.257 -0.058 -3.461 1.00 0.00 O ATOM 1179 CB ASN A 81 11.818 2.428 -4.111 1.00 0.00 C ATOM 1180 CG ASN A 81 13.077 1.623 -3.855 1.00 0.00 C ATOM 1181 OD1 ASN A 81 13.013 0.454 -3.475 1.00 0.00 O ATOM 1182 ND2 ASN A 81 14.231 2.247 -4.063 1.00 0.00 N ATOM 0 H ASN A 81 11.965 1.135 -1.686 1.00 0.00 H new ATOM 0 HA ASN A 81 10.183 3.156 -2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.389 2.131 -5.068 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.075 3.484 -4.191 1.00 0.00 H new ATOM 0 HD21 ASN A 81 15.111 1.756 -3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 81 14.237 3.217 -4.378 1.00 0.00 H new ATOM 1189 N VAL A 82 8.562 1.418 -3.569 1.00 0.00 N ATOM 1190 CA VAL A 82 7.565 0.414 -3.920 1.00 0.00 C ATOM 1191 C VAL A 82 6.479 1.006 -4.811 1.00 0.00 C ATOM 1192 O VAL A 82 6.135 2.183 -4.692 1.00 0.00 O ATOM 1193 CB VAL A 82 6.910 -0.189 -2.663 1.00 0.00 C ATOM 1194 CG1 VAL A 82 5.966 0.815 -2.018 1.00 0.00 C ATOM 1195 CG2 VAL A 82 6.176 -1.476 -3.010 1.00 0.00 C ATOM 0 H VAL A 82 8.196 2.367 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 82 8.087 -0.374 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 82 7.695 -0.427 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.513 0.371 -1.132 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.523 1.707 -1.732 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.184 1.087 -2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.719 -1.888 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.401 -1.265 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.882 -2.197 -3.422 1.00 0.00 H new ATOM 1205 N THR A 83 5.940 0.183 -5.705 1.00 0.00 N ATOM 1206 CA THR A 83 4.893 0.624 -6.617 1.00 0.00 C ATOM 1207 C THR A 83 3.592 -0.130 -6.367 1.00 0.00 C ATOM 1208 O THR A 83 3.597 -1.343 -6.154 1.00 0.00 O ATOM 1209 CB THR A 83 5.311 0.431 -8.087 1.00 0.00 C ATOM 1210 OG1 THR A 83 6.697 0.754 -8.250 1.00 0.00 O ATOM 1211 CG2 THR A 83 4.471 1.302 -9.008 1.00 0.00 C ATOM 0 H THR A 83 6.212 -0.794 -5.817 1.00 0.00 H new ATOM 0 HA THR A 83 4.736 1.686 -6.428 1.00 0.00 H new ATOM 0 HB THR A 83 5.148 -0.614 -8.353 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.955 0.627 -9.187 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.785 1.148 -10.040 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.420 1.033 -8.904 1.00 0.00 H new ATOM 0 HG23 THR A 83 4.605 2.350 -8.740 1.00 0.00 H new ATOM 1219 N LEU A 84 2.479 0.594 -6.396 1.00 0.00 N ATOM 1220 CA LEU A 84 1.169 -0.007 -6.173 1.00 0.00 C ATOM 1221 C LEU A 84 0.167 0.466 -7.221 1.00 0.00 C ATOM 1222 O LEU A 84 0.177 1.630 -7.624 1.00 0.00 O ATOM 1223 CB LEU A 84 0.660 0.337 -4.772 1.00 0.00 C ATOM 1224 CG LEU A 84 1.630 0.071 -3.620 1.00 0.00 C ATOM 1225 CD1 LEU A 84 1.075 0.622 -2.316 1.00 0.00 C ATOM 1226 CD2 LEU A 84 1.913 -1.419 -3.495 1.00 0.00 C ATOM 0 H LEU A 84 2.457 1.599 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 84 1.273 -1.089 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.388 1.392 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.253 -0.230 -4.590 1.00 0.00 H new ATOM 0 HG LEU A 84 2.568 0.582 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.779 0.423 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.925 1.698 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.123 0.141 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.605 -1.590 -2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.981 -1.951 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.356 -1.784 -4.422 1.00 0.00 H new ATOM 1238 N LEU A 85 -0.698 -0.442 -7.657 1.00 0.00 N ATOM 1239 CA LEU A 85 -1.710 -0.117 -8.657 1.00 0.00 C ATOM 1240 C LEU A 85 -3.066 0.125 -8.002 1.00 0.00 C ATOM 1241 O LEU A 85 -3.706 -0.806 -7.513 1.00 0.00 O ATOM 1242 CB LEU A 85 -1.821 -1.246 -9.684 1.00 0.00 C ATOM 1243 CG LEU A 85 -2.686 -0.955 -10.910 1.00 0.00 C ATOM 1244 CD1 LEU A 85 -2.228 -1.788 -12.097 1.00 0.00 C ATOM 1245 CD2 LEU A 85 -4.153 -1.222 -10.603 1.00 0.00 C ATOM 0 H LEU A 85 -0.720 -1.409 -7.334 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.404 0.798 -9.163 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.817 -1.500 -10.024 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.221 -2.128 -9.183 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.575 0.098 -11.167 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.856 -1.567 -12.960 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.191 -1.548 -12.331 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.309 -2.847 -11.851 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.754 -1.010 -11.487 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.281 -2.267 -10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.475 -0.581 -9.782 1.00 0.00 H new ATOM 1257 N VAL A 86 -3.499 1.381 -7.998 1.00 0.00 N ATOM 1258 CA VAL A 86 -4.781 1.746 -7.406 1.00 0.00 C ATOM 1259 C VAL A 86 -5.811 2.068 -8.482 1.00 0.00 C ATOM 1260 O VAL A 86 -5.481 2.645 -9.519 1.00 0.00 O ATOM 1261 CB VAL A 86 -4.641 2.958 -6.466 1.00 0.00 C ATOM 1262 CG1 VAL A 86 -3.553 2.709 -5.432 1.00 0.00 C ATOM 1263 CG2 VAL A 86 -4.351 4.220 -7.264 1.00 0.00 C ATOM 0 H VAL A 86 -2.981 2.163 -8.398 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.119 0.885 -6.829 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.585 3.098 -5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.468 3.576 -4.777 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.808 1.830 -4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.602 2.542 -5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.255 5.066 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.422 4.094 -7.819 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.168 4.405 -7.961 1.00 0.00 H new ATOM 1273 N CYS A 87 -7.060 1.692 -8.229 1.00 0.00 N ATOM 1274 CA CYS A 87 -8.140 1.941 -9.178 1.00 0.00 C ATOM 1275 C CYS A 87 -8.993 3.124 -8.732 1.00 0.00 C ATOM 1276 O CYS A 87 -9.161 3.366 -7.538 1.00 0.00 O ATOM 1277 CB CYS A 87 -9.014 0.694 -9.325 1.00 0.00 C ATOM 1278 SG CYS A 87 -10.027 0.676 -10.823 1.00 0.00 S ATOM 0 H CYS A 87 -7.350 1.214 -7.376 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.695 2.181 -10.144 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.374 -0.188 -9.322 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.668 0.617 -8.456 1.00 0.00 H new ATOM 0 HG CYS A 87 -10.729 -0.418 -10.859 1.00 0.00 H new