USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 442 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 50 ASN : amide:sc= 1.38 K(o=2.4,f=-11!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ 150:sc= 1.06 (180deg=-0.0371) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.554 X(o=1,f=1.1) USER MOD Set 2.2: A 19 TYR OH : rot 23:sc= 0.46 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 1.02 (180deg=0.981) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl 178:sc= -0.701 (180deg=-0.722) USER MOD Single : A 36 SER OG : rot -161:sc= 1.19 USER MOD Single : A 42 GLN : amide:sc= 0.868 K(o=0.87,f=-0.11) USER MOD Single : A 47 SER OG : rot 41:sc= 0.0937 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 0.515 (180deg=0.386) USER MOD Single : A 60 GLN : amide:sc= 1.09 K(o=1.1,f=-5.6!) USER MOD Single : A 61 SER OG : rot -42:sc= 0.916 USER MOD Single : A 65 THR OG1 : rot 81:sc= 0.957 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 6 -31.450 3.567 -13.926 1.00 0.00 N ATOM 70 CA PRO A 6 -31.173 4.878 -14.520 1.00 0.00 C ATOM 71 C PRO A 6 -32.413 5.580 -15.072 1.00 0.00 C ATOM 72 O PRO A 6 -32.568 6.787 -14.852 1.00 0.00 O ATOM 73 CB PRO A 6 -30.130 4.636 -15.622 1.00 0.00 C ATOM 74 CG PRO A 6 -30.312 3.156 -15.949 1.00 0.00 C ATOM 75 CD PRO A 6 -30.639 2.555 -14.585 1.00 0.00 C ATOM 0 HA PRO A 6 -30.805 5.556 -13.750 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -30.309 5.267 -16.493 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -29.119 4.851 -15.275 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -31.116 2.995 -16.667 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -29.409 2.721 -16.378 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -31.182 1.615 -14.685 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -29.733 2.341 -14.018 1.00 0.00 H new ATOM 83 N VAL A 7 -33.329 4.836 -15.715 1.00 0.00 N ATOM 84 CA VAL A 7 -34.635 5.390 -16.113 1.00 0.00 C ATOM 85 C VAL A 7 -35.306 5.984 -14.898 1.00 0.00 C ATOM 86 O VAL A 7 -35.726 7.129 -14.927 1.00 0.00 O ATOM 87 CB VAL A 7 -35.627 4.373 -16.723 1.00 0.00 C ATOM 88 CG1 VAL A 7 -36.777 5.135 -17.386 1.00 0.00 C ATOM 89 CG2 VAL A 7 -34.940 3.389 -17.663 1.00 0.00 C ATOM 0 H VAL A 7 -33.192 3.858 -15.969 1.00 0.00 H new ATOM 0 HA VAL A 7 -34.407 6.121 -16.889 1.00 0.00 H new ATOM 0 HB VAL A 7 -36.041 3.754 -15.927 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -37.482 4.425 -17.819 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -37.288 5.744 -16.640 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -36.382 5.779 -18.172 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -35.678 2.695 -18.066 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -34.470 3.935 -18.481 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -34.180 2.832 -17.115 1.00 0.00 H new ATOM 99 N MET A 8 -35.379 5.206 -13.826 1.00 0.00 N ATOM 100 CA MET A 8 -36.055 5.568 -12.597 1.00 0.00 C ATOM 101 C MET A 8 -35.573 6.888 -11.981 1.00 0.00 C ATOM 102 O MET A 8 -36.397 7.773 -11.768 1.00 0.00 O ATOM 103 CB MET A 8 -35.942 4.392 -11.636 1.00 0.00 C ATOM 104 CG MET A 8 -37.005 4.515 -10.546 1.00 0.00 C ATOM 105 SD MET A 8 -36.401 4.202 -8.865 1.00 0.00 S ATOM 106 CE MET A 8 -37.872 4.693 -7.927 1.00 0.00 C ATOM 0 H MET A 8 -34.955 4.279 -13.791 1.00 0.00 H new ATOM 0 HA MET A 8 -37.103 5.766 -12.823 1.00 0.00 H new ATOM 0 HB2 MET A 8 -36.069 3.454 -12.177 1.00 0.00 H new ATOM 0 HB3 MET A 8 -34.949 4.370 -11.188 1.00 0.00 H new ATOM 0 HG2 MET A 8 -37.432 5.517 -10.584 1.00 0.00 H new ATOM 0 HG3 MET A 8 -37.813 3.816 -10.764 1.00 0.00 H new ATOM 0 HE1 MET A 8 -37.683 4.566 -6.861 1.00 0.00 H new ATOM 0 HE2 MET A 8 -38.102 5.738 -8.133 1.00 0.00 H new ATOM 0 HE3 MET A 8 -38.716 4.070 -8.222 1.00 0.00 H new ATOM 116 N ILE A 9 -34.272 7.057 -11.699 1.00 0.00 N ATOM 117 CA ILE A 9 -33.737 8.364 -11.265 1.00 0.00 C ATOM 118 C ILE A 9 -34.038 9.506 -12.240 1.00 0.00 C ATOM 119 O ILE A 9 -34.546 10.534 -11.807 1.00 0.00 O ATOM 120 CB ILE A 9 -32.244 8.353 -10.878 1.00 0.00 C ATOM 121 CG1 ILE A 9 -31.373 7.538 -11.844 1.00 0.00 C ATOM 122 CG2 ILE A 9 -32.095 7.880 -9.423 1.00 0.00 C ATOM 123 CD1 ILE A 9 -29.874 7.654 -11.582 1.00 0.00 C ATOM 0 H ILE A 9 -33.574 6.316 -11.762 1.00 0.00 H new ATOM 0 HA ILE A 9 -34.290 8.561 -10.347 1.00 0.00 H new ATOM 0 HB ILE A 9 -31.871 9.374 -10.959 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -31.662 6.489 -11.779 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -31.579 7.863 -12.864 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -31.040 7.872 -9.149 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -32.636 8.558 -8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -32.503 6.874 -9.324 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -29.330 7.049 -12.307 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -29.568 8.696 -11.676 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -29.652 7.300 -10.575 1.00 0.00 H new ATOM 135 N LEU A 10 -33.781 9.345 -13.543 1.00 0.00 N ATOM 136 CA LEU A 10 -34.094 10.365 -14.567 1.00 0.00 C ATOM 137 C LEU A 10 -35.567 10.785 -14.529 1.00 0.00 C ATOM 138 O LEU A 10 -35.911 11.968 -14.450 1.00 0.00 O ATOM 139 CB LEU A 10 -33.640 9.730 -15.900 1.00 0.00 C ATOM 140 CG LEU A 10 -34.137 10.080 -17.315 1.00 0.00 C ATOM 141 CD1 LEU A 10 -35.619 9.968 -17.586 1.00 0.00 C ATOM 142 CD2 LEU A 10 -33.599 11.361 -17.917 1.00 0.00 C ATOM 0 H LEU A 10 -33.349 8.503 -13.925 1.00 0.00 H new ATOM 0 HA LEU A 10 -33.574 11.308 -14.401 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -32.559 9.868 -15.932 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -33.822 8.661 -15.787 1.00 0.00 H new ATOM 0 HG LEU A 10 -33.672 9.245 -17.839 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -35.822 10.245 -18.621 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -35.944 8.942 -17.415 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -36.162 10.637 -16.919 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -34.020 11.500 -18.913 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -33.876 12.205 -17.285 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -32.513 11.302 -17.987 1.00 0.00 H new ATOM 154 N ASN A 11 -36.424 9.778 -14.558 1.00 0.00 N ATOM 155 CA ASN A 11 -37.870 9.880 -14.479 1.00 0.00 C ATOM 156 C ASN A 11 -38.341 10.630 -13.236 1.00 0.00 C ATOM 157 O ASN A 11 -39.172 11.525 -13.310 1.00 0.00 O ATOM 158 CB ASN A 11 -38.438 8.460 -14.508 1.00 0.00 C ATOM 159 CG ASN A 11 -39.953 8.464 -14.652 1.00 0.00 C ATOM 160 OD1 ASN A 11 -40.502 8.971 -15.621 1.00 0.00 O ATOM 161 ND2 ASN A 11 -40.684 7.924 -13.704 1.00 0.00 N ATOM 0 H ASN A 11 -36.110 8.811 -14.642 1.00 0.00 H new ATOM 0 HA ASN A 11 -38.232 10.461 -15.327 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -37.995 7.907 -15.337 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -38.161 7.938 -13.592 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -41.701 7.929 -13.779 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -40.235 7.499 -12.893 1.00 0.00 H new ATOM 168 N GLU A 12 -37.892 10.184 -12.068 1.00 0.00 N ATOM 169 CA GLU A 12 -38.148 10.803 -10.782 1.00 0.00 C ATOM 170 C GLU A 12 -37.643 12.251 -10.645 1.00 0.00 C ATOM 171 O GLU A 12 -38.348 13.106 -10.113 1.00 0.00 O ATOM 172 CB GLU A 12 -37.666 9.831 -9.706 1.00 0.00 C ATOM 173 CG GLU A 12 -38.102 10.229 -8.291 1.00 0.00 C ATOM 174 CD GLU A 12 -39.633 10.434 -8.180 1.00 0.00 C ATOM 175 OE1 GLU A 12 -40.421 9.629 -8.731 1.00 0.00 O ATOM 176 OE2 GLU A 12 -40.084 11.456 -7.610 1.00 0.00 O ATOM 0 H GLU A 12 -37.316 9.346 -11.993 1.00 0.00 H new ATOM 0 HA GLU A 12 -39.219 10.963 -10.660 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -38.047 8.834 -9.929 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -36.578 9.772 -9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -37.790 9.458 -7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -37.593 11.149 -8.002 1.00 0.00 H new ATOM 183 N LEU A 13 -36.414 12.534 -11.088 1.00 0.00 N ATOM 184 CA LEU A 13 -35.852 13.887 -11.206 1.00 0.00 C ATOM 185 C LEU A 13 -36.711 14.833 -12.071 1.00 0.00 C ATOM 186 O LEU A 13 -36.858 16.007 -11.723 1.00 0.00 O ATOM 187 CB LEU A 13 -34.387 13.822 -11.678 1.00 0.00 C ATOM 188 CG LEU A 13 -33.335 13.223 -10.701 1.00 0.00 C ATOM 189 CD1 LEU A 13 -32.251 14.255 -10.382 1.00 0.00 C ATOM 190 CD2 LEU A 13 -33.817 12.709 -9.337 1.00 0.00 C ATOM 0 H LEU A 13 -35.762 11.808 -11.384 1.00 0.00 H new ATOM 0 HA LEU A 13 -35.867 14.330 -10.210 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -34.358 13.240 -12.599 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -34.071 14.834 -11.930 1.00 0.00 H new ATOM 0 HG LEU A 13 -32.997 12.353 -11.264 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -31.524 13.819 -9.697 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -31.750 14.552 -11.303 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -32.707 15.130 -9.918 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -32.968 12.323 -8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -34.280 13.526 -8.783 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -34.546 11.912 -9.485 1.00 0.00 H new ATOM 202 N ARG A 14 -37.276 14.322 -13.181 1.00 0.00 N ATOM 203 CA ARG A 14 -38.149 15.018 -14.163 1.00 0.00 C ATOM 204 C ARG A 14 -37.887 16.531 -14.360 1.00 0.00 C ATOM 205 O ARG A 14 -38.790 17.332 -14.098 1.00 0.00 O ATOM 206 CB ARG A 14 -39.646 14.695 -13.909 1.00 0.00 C ATOM 207 CG ARG A 14 -40.172 15.033 -12.496 1.00 0.00 C ATOM 208 CD ARG A 14 -41.583 14.491 -12.209 1.00 0.00 C ATOM 209 NE ARG A 14 -41.622 13.022 -12.019 1.00 0.00 N ATOM 210 CZ ARG A 14 -41.539 12.345 -10.882 1.00 0.00 C ATOM 211 NH1 ARG A 14 -41.309 12.914 -9.734 1.00 0.00 N ATOM 212 NH2 ARG A 14 -41.675 11.050 -10.869 1.00 0.00 N ATOM 0 H ARG A 14 -37.129 13.346 -13.439 1.00 0.00 H new ATOM 0 HA ARG A 14 -37.861 14.601 -15.128 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -40.245 15.238 -14.640 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -39.806 13.632 -14.092 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -39.481 14.629 -11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -40.177 16.116 -12.370 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -41.976 14.976 -11.315 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -42.242 14.761 -13.034 1.00 0.00 H new ATOM 0 HE ARG A 14 -41.725 12.463 -12.866 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -41.184 13.925 -9.682 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -41.254 12.349 -8.887 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -41.847 10.547 -11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -41.609 10.539 -9.989 1.00 0.00 H new ATOM 226 N PRO A 15 -36.688 16.964 -14.811 1.00 0.00 N ATOM 227 CA PRO A 15 -36.346 18.391 -14.901 1.00 0.00 C ATOM 228 C PRO A 15 -37.349 19.250 -15.694 1.00 0.00 C ATOM 229 O PRO A 15 -37.686 20.361 -15.280 1.00 0.00 O ATOM 230 CB PRO A 15 -34.936 18.454 -15.497 1.00 0.00 C ATOM 231 CG PRO A 15 -34.345 17.077 -15.201 1.00 0.00 C ATOM 232 CD PRO A 15 -35.557 16.148 -15.236 1.00 0.00 C ATOM 0 HA PRO A 15 -36.389 18.831 -13.905 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -34.964 18.654 -16.568 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -34.345 19.248 -15.040 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -33.601 16.792 -15.945 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -33.850 17.054 -14.230 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -35.716 15.749 -16.238 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -35.417 15.295 -14.571 1.00 0.00 H new ATOM 240 N GLY A 16 -37.879 18.705 -16.792 1.00 0.00 N ATOM 241 CA GLY A 16 -39.019 19.244 -17.544 1.00 0.00 C ATOM 242 C GLY A 16 -39.481 18.296 -18.657 1.00 0.00 C ATOM 243 O GLY A 16 -39.814 18.752 -19.752 1.00 0.00 O ATOM 0 H GLY A 16 -37.513 17.844 -17.198 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -39.847 19.430 -16.860 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -38.743 20.205 -17.979 1.00 0.00 H new ATOM 247 N LEU A 17 -39.379 16.977 -18.429 1.00 0.00 N ATOM 248 CA LEU A 17 -39.242 16.011 -19.519 1.00 0.00 C ATOM 249 C LEU A 17 -40.521 15.653 -20.304 1.00 0.00 C ATOM 250 O LEU A 17 -41.641 15.680 -19.787 1.00 0.00 O ATOM 251 CB LEU A 17 -38.464 14.784 -19.029 1.00 0.00 C ATOM 252 CG LEU A 17 -38.985 14.010 -17.814 1.00 0.00 C ATOM 253 CD1 LEU A 17 -40.357 13.384 -18.003 1.00 0.00 C ATOM 254 CD2 LEU A 17 -37.966 12.908 -17.563 1.00 0.00 C ATOM 0 H LEU A 17 -39.389 16.560 -17.498 1.00 0.00 H new ATOM 0 HA LEU A 17 -38.667 16.526 -20.289 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -38.397 14.083 -19.861 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -37.448 15.108 -18.802 1.00 0.00 H new ATOM 0 HG LEU A 17 -39.103 14.706 -16.984 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -40.645 12.857 -17.093 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -41.087 14.165 -18.216 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -40.324 12.681 -18.835 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -38.277 12.313 -16.704 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -37.898 12.268 -18.442 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -36.991 13.353 -17.362 1.00 0.00 H new ATOM 266 N LYS A 18 -40.319 15.289 -21.575 1.00 0.00 N ATOM 267 CA LYS A 18 -41.211 14.477 -22.422 1.00 0.00 C ATOM 268 C LYS A 18 -40.457 13.413 -23.218 1.00 0.00 C ATOM 269 O LYS A 18 -39.393 13.691 -23.770 1.00 0.00 O ATOM 270 CB LYS A 18 -42.175 15.297 -23.290 1.00 0.00 C ATOM 271 CG LYS A 18 -41.612 16.463 -24.127 1.00 0.00 C ATOM 272 CD LYS A 18 -40.936 16.107 -25.462 1.00 0.00 C ATOM 273 CE LYS A 18 -41.855 15.329 -26.412 1.00 0.00 C ATOM 274 NZ LYS A 18 -41.230 15.149 -27.745 1.00 0.00 N ATOM 0 H LYS A 18 -39.475 15.570 -22.075 1.00 0.00 H new ATOM 0 HA LYS A 18 -41.855 13.945 -21.722 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -42.670 14.608 -23.975 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -42.945 15.703 -22.634 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -42.428 17.154 -24.335 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -40.888 17.000 -23.514 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -40.608 17.024 -25.952 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -40.043 15.515 -25.264 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -42.084 14.354 -25.982 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -42.801 15.860 -26.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -41.855 14.576 -28.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -41.081 16.079 -28.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -40.315 14.666 -27.637 1.00 0.00 H new ATOM 288 N TYR A 19 -40.997 12.197 -23.253 1.00 0.00 N ATOM 289 CA TYR A 19 -40.401 11.037 -23.916 1.00 0.00 C ATOM 290 C TYR A 19 -41.097 10.682 -25.245 1.00 0.00 C ATOM 291 O TYR A 19 -42.325 10.642 -25.344 1.00 0.00 O ATOM 292 CB TYR A 19 -40.455 9.805 -23.015 1.00 0.00 C ATOM 293 CG TYR A 19 -39.842 9.919 -21.638 1.00 0.00 C ATOM 294 CD1 TYR A 19 -40.634 10.365 -20.563 1.00 0.00 C ATOM 295 CD2 TYR A 19 -38.537 9.445 -21.398 1.00 0.00 C ATOM 296 CE1 TYR A 19 -40.156 10.255 -19.246 1.00 0.00 C ATOM 297 CE2 TYR A 19 -38.061 9.322 -20.087 1.00 0.00 C ATOM 298 CZ TYR A 19 -38.898 9.673 -19.004 1.00 0.00 C ATOM 299 OH TYR A 19 -38.542 9.381 -17.732 1.00 0.00 O ATOM 0 H TYR A 19 -41.889 11.984 -22.807 1.00 0.00 H new ATOM 0 HA TYR A 19 -39.369 11.319 -24.125 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -41.501 9.522 -22.895 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -39.961 8.985 -23.536 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -41.608 10.791 -20.750 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -37.901 9.176 -22.229 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -40.753 10.616 -18.422 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -37.060 8.961 -19.905 1.00 0.00 H new ATOM 0 HH TYR A 19 -39.347 9.284 -17.181 1.00 0.00 H new ATOM 309 N ASP A 20 -40.288 10.402 -26.262 1.00 0.00 N ATOM 310 CA ASP A 20 -40.634 9.909 -27.599 1.00 0.00 C ATOM 311 C ASP A 20 -40.216 8.435 -27.767 1.00 0.00 C ATOM 312 O ASP A 20 -39.111 8.045 -27.374 1.00 0.00 O ATOM 313 CB ASP A 20 -39.937 10.755 -28.678 1.00 0.00 C ATOM 314 CG ASP A 20 -40.301 12.243 -28.604 1.00 0.00 C ATOM 315 OD1 ASP A 20 -41.444 12.608 -28.970 1.00 0.00 O ATOM 316 OD2 ASP A 20 -39.456 13.073 -28.191 1.00 0.00 O ATOM 0 H ASP A 20 -39.280 10.524 -26.166 1.00 0.00 H new ATOM 0 HA ASP A 20 -41.715 9.988 -27.713 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -38.857 10.646 -28.576 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -40.205 10.370 -29.662 1.00 0.00 H new ATOM 321 N PHE A 21 -41.095 7.610 -28.348 1.00 0.00 N ATOM 322 CA PHE A 21 -40.800 6.227 -28.752 1.00 0.00 C ATOM 323 C PHE A 21 -40.632 6.110 -30.276 1.00 0.00 C ATOM 324 O PHE A 21 -41.476 6.541 -31.065 1.00 0.00 O ATOM 325 CB PHE A 21 -41.895 5.298 -28.204 1.00 0.00 C ATOM 326 CG PHE A 21 -41.858 3.861 -28.704 1.00 0.00 C ATOM 327 CD1 PHE A 21 -40.643 3.154 -28.809 1.00 0.00 C ATOM 328 CD2 PHE A 21 -43.060 3.224 -29.070 1.00 0.00 C ATOM 329 CE1 PHE A 21 -40.630 1.835 -29.294 1.00 0.00 C ATOM 330 CE2 PHE A 21 -43.048 1.902 -29.548 1.00 0.00 C ATOM 331 CZ PHE A 21 -41.831 1.208 -29.665 1.00 0.00 C ATOM 0 H PHE A 21 -42.053 7.890 -28.556 1.00 0.00 H new ATOM 0 HA PHE A 21 -39.846 5.919 -28.325 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -41.824 5.286 -27.116 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -42.866 5.725 -28.455 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -39.718 3.628 -28.515 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -43.997 3.755 -28.983 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -39.695 1.302 -29.382 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -43.974 1.420 -29.825 1.00 0.00 H new ATOM 0 HZ PHE A 21 -41.819 0.195 -30.039 1.00 0.00 H new ATOM 341 N LEU A 22 -39.491 5.535 -30.660 1.00 0.00 N ATOM 342 CA LEU A 22 -38.944 5.370 -31.995 1.00 0.00 C ATOM 343 C LEU A 22 -38.433 3.918 -32.094 1.00 0.00 C ATOM 344 O LEU A 22 -37.969 3.340 -31.114 1.00 0.00 O ATOM 345 CB LEU A 22 -37.777 6.355 -32.265 1.00 0.00 C ATOM 346 CG LEU A 22 -37.934 7.865 -31.983 1.00 0.00 C ATOM 347 CD1 LEU A 22 -37.901 8.267 -30.512 1.00 0.00 C ATOM 348 CD2 LEU A 22 -36.755 8.618 -32.608 1.00 0.00 C ATOM 0 H LEU A 22 -38.865 5.132 -29.963 1.00 0.00 H new ATOM 0 HA LEU A 22 -39.714 5.580 -32.737 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -36.924 6.008 -31.682 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -37.508 6.252 -33.316 1.00 0.00 H new ATOM 0 HG LEU A 22 -38.914 8.110 -32.393 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -38.020 9.347 -30.427 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -38.713 7.770 -29.981 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -36.947 7.971 -30.075 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -36.860 9.685 -32.412 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -35.822 8.259 -32.173 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -36.743 8.446 -33.684 1.00 0.00 H new ATOM 360 N SER A 23 -38.546 3.264 -33.238 1.00 0.00 N ATOM 361 CA SER A 23 -37.539 2.242 -33.588 1.00 0.00 C ATOM 362 C SER A 23 -36.206 2.893 -34.022 1.00 0.00 C ATOM 363 O SER A 23 -36.114 4.114 -34.171 1.00 0.00 O ATOM 364 CB SER A 23 -38.088 1.316 -34.681 1.00 0.00 C ATOM 365 OG SER A 23 -38.486 2.030 -35.839 1.00 0.00 O ATOM 0 H SER A 23 -39.288 3.404 -33.924 1.00 0.00 H new ATOM 0 HA SER A 23 -37.331 1.644 -32.701 1.00 0.00 H new ATOM 0 HB2 SER A 23 -37.326 0.585 -34.951 1.00 0.00 H new ATOM 0 HB3 SER A 23 -38.939 0.759 -34.289 1.00 0.00 H new ATOM 0 HG SER A 23 -38.827 1.402 -36.509 1.00 0.00 H new ATOM 490 N PHE A 33 -34.509 -0.481 -30.274 1.00 0.00 N ATOM 491 CA PHE A 33 -35.681 0.366 -30.165 1.00 0.00 C ATOM 492 C PHE A 33 -35.175 1.611 -29.451 1.00 0.00 C ATOM 493 O PHE A 33 -34.347 1.562 -28.538 1.00 0.00 O ATOM 494 CB PHE A 33 -36.788 -0.292 -29.327 1.00 0.00 C ATOM 495 CG PHE A 33 -37.174 -1.740 -29.596 1.00 0.00 C ATOM 496 CD1 PHE A 33 -36.772 -2.450 -30.748 1.00 0.00 C ATOM 497 CD2 PHE A 33 -37.946 -2.394 -28.619 1.00 0.00 C ATOM 498 CE1 PHE A 33 -37.060 -3.820 -30.873 1.00 0.00 C ATOM 499 CE2 PHE A 33 -38.274 -3.750 -28.759 1.00 0.00 C ATOM 500 CZ PHE A 33 -37.812 -4.473 -29.876 1.00 0.00 C ATOM 0 HA PHE A 33 -36.118 0.568 -31.143 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -36.490 -0.223 -28.281 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -37.688 0.312 -29.443 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -36.241 -1.938 -31.537 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -38.289 -1.847 -27.753 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -36.706 -4.371 -31.731 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -38.880 -4.240 -28.011 1.00 0.00 H new ATOM 0 HZ PHE A 33 -38.034 -5.526 -29.968 1.00 0.00 H new ATOM 510 N VAL A 34 -35.578 2.752 -29.967 1.00 0.00 N ATOM 511 CA VAL A 34 -34.925 4.017 -29.701 1.00 0.00 C ATOM 512 C VAL A 34 -35.863 4.900 -28.901 1.00 0.00 C ATOM 513 O VAL A 34 -36.955 5.272 -29.321 1.00 0.00 O ATOM 514 CB VAL A 34 -34.447 4.619 -31.019 1.00 0.00 C ATOM 515 CG1 VAL A 34 -33.871 6.008 -30.840 1.00 0.00 C ATOM 516 CG2 VAL A 34 -33.311 3.779 -31.592 1.00 0.00 C ATOM 0 H VAL A 34 -36.380 2.829 -30.592 1.00 0.00 H new ATOM 0 HA VAL A 34 -34.032 3.895 -29.087 1.00 0.00 H new ATOM 0 HB VAL A 34 -35.320 4.649 -31.671 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -33.545 6.394 -31.806 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -34.633 6.667 -30.425 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -33.020 5.964 -30.161 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -32.975 4.215 -32.533 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -32.482 3.758 -30.885 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -33.663 2.763 -31.768 1.00 0.00 H new ATOM 526 N MET A 35 -35.428 5.207 -27.693 1.00 0.00 N ATOM 527 CA MET A 35 -36.153 6.084 -26.789 1.00 0.00 C ATOM 528 C MET A 35 -35.437 7.421 -26.764 1.00 0.00 C ATOM 529 O MET A 35 -34.248 7.485 -26.460 1.00 0.00 O ATOM 530 CB MET A 35 -36.228 5.436 -25.406 1.00 0.00 C ATOM 531 CG MET A 35 -37.215 4.261 -25.417 1.00 0.00 C ATOM 532 SD MET A 35 -38.944 4.717 -25.703 1.00 0.00 S ATOM 533 CE MET A 35 -39.675 3.067 -25.606 1.00 0.00 C ATOM 0 H MET A 35 -34.553 4.852 -27.307 1.00 0.00 H new ATOM 0 HA MET A 35 -37.178 6.246 -27.121 1.00 0.00 H new ATOM 0 HB2 MET A 35 -35.240 5.086 -25.108 1.00 0.00 H new ATOM 0 HB3 MET A 35 -36.541 6.175 -24.668 1.00 0.00 H new ATOM 0 HG2 MET A 35 -36.908 3.556 -26.189 1.00 0.00 H new ATOM 0 HG3 MET A 35 -37.146 3.739 -24.463 1.00 0.00 H new ATOM 0 HE1 MET A 35 -40.756 3.141 -25.723 1.00 0.00 H new ATOM 0 HE2 MET A 35 -39.266 2.441 -26.399 1.00 0.00 H new ATOM 0 HE3 MET A 35 -39.445 2.623 -24.637 1.00 0.00 H new ATOM 543 N SER A 36 -36.157 8.484 -27.094 1.00 0.00 N ATOM 544 CA SER A 36 -35.571 9.812 -27.261 1.00 0.00 C ATOM 545 C SER A 36 -36.350 10.826 -26.431 1.00 0.00 C ATOM 546 O SER A 36 -37.568 10.744 -26.347 1.00 0.00 O ATOM 547 CB SER A 36 -35.488 10.190 -28.738 1.00 0.00 C ATOM 548 OG SER A 36 -34.740 9.223 -29.458 1.00 0.00 O ATOM 0 H SER A 36 -37.164 8.453 -27.254 1.00 0.00 H new ATOM 0 HA SER A 36 -34.545 9.807 -26.892 1.00 0.00 H new ATOM 0 HB2 SER A 36 -36.492 10.267 -29.156 1.00 0.00 H new ATOM 0 HB3 SER A 36 -35.023 11.170 -28.843 1.00 0.00 H new ATOM 0 HG SER A 36 -34.434 9.610 -30.304 1.00 0.00 H new ATOM 554 N VAL A 37 -35.675 11.714 -25.707 1.00 0.00 N ATOM 555 CA VAL A 37 -36.281 12.503 -24.617 1.00 0.00 C ATOM 556 C VAL A 37 -35.847 13.954 -24.732 1.00 0.00 C ATOM 557 O VAL A 37 -34.657 14.223 -24.892 1.00 0.00 O ATOM 558 CB VAL A 37 -35.938 11.950 -23.210 1.00 0.00 C ATOM 559 CG1 VAL A 37 -36.952 12.385 -22.148 1.00 0.00 C ATOM 560 CG2 VAL A 37 -35.764 10.432 -23.165 1.00 0.00 C ATOM 0 H VAL A 37 -34.686 11.914 -25.854 1.00 0.00 H new ATOM 0 HA VAL A 37 -37.363 12.428 -24.727 1.00 0.00 H new ATOM 0 HB VAL A 37 -34.970 12.393 -22.978 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -36.666 11.971 -21.181 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -36.970 13.473 -22.086 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -37.943 12.021 -22.420 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -35.526 10.123 -22.147 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -36.688 9.950 -23.483 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -34.954 10.139 -23.832 1.00 0.00 H new ATOM 570 N VAL A 38 -36.788 14.887 -24.574 1.00 0.00 N ATOM 571 CA VAL A 38 -36.473 16.314 -24.405 1.00 0.00 C ATOM 572 C VAL A 38 -36.692 16.540 -22.921 1.00 0.00 C ATOM 573 O VAL A 38 -37.822 16.490 -22.439 1.00 0.00 O ATOM 574 CB VAL A 38 -37.401 17.251 -25.209 1.00 0.00 C ATOM 575 CG1 VAL A 38 -36.970 18.714 -25.034 1.00 0.00 C ATOM 576 CG2 VAL A 38 -37.425 16.951 -26.709 1.00 0.00 C ATOM 0 H VAL A 38 -37.787 14.680 -24.559 1.00 0.00 H new ATOM 0 HA VAL A 38 -35.469 16.538 -24.764 1.00 0.00 H new ATOM 0 HB VAL A 38 -38.400 17.078 -24.810 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -37.635 19.360 -25.607 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -37.021 18.985 -23.979 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -35.947 18.837 -25.391 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -38.098 17.648 -27.209 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -36.420 17.060 -27.118 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -37.774 15.931 -26.871 1.00 0.00 H new ATOM 586 N VAL A 39 -35.594 16.652 -22.171 1.00 0.00 N ATOM 587 CA VAL A 39 -35.611 16.286 -20.732 1.00 0.00 C ATOM 588 C VAL A 39 -35.717 17.499 -19.791 1.00 0.00 C ATOM 589 O VAL A 39 -35.961 17.369 -18.594 1.00 0.00 O ATOM 590 CB VAL A 39 -34.400 15.385 -20.412 1.00 0.00 C ATOM 591 CG1 VAL A 39 -33.114 16.204 -20.261 1.00 0.00 C ATOM 592 CG2 VAL A 39 -34.586 14.529 -19.158 1.00 0.00 C ATOM 0 H VAL A 39 -34.694 16.985 -22.516 1.00 0.00 H new ATOM 0 HA VAL A 39 -36.524 15.720 -20.544 1.00 0.00 H new ATOM 0 HB VAL A 39 -34.319 14.713 -21.267 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -32.282 15.537 -20.036 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -32.911 16.737 -21.190 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -33.233 16.922 -19.449 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -33.695 13.922 -18.996 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -34.746 15.177 -18.296 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -35.450 13.877 -19.287 1.00 0.00 H new ATOM 602 N ASP A 40 -35.520 18.684 -20.361 1.00 0.00 N ATOM 603 CA ASP A 40 -35.136 19.942 -19.695 1.00 0.00 C ATOM 604 C ASP A 40 -35.299 21.156 -20.634 1.00 0.00 C ATOM 605 O ASP A 40 -35.668 22.250 -20.203 1.00 0.00 O ATOM 606 CB ASP A 40 -33.649 19.806 -19.281 1.00 0.00 C ATOM 607 CG ASP A 40 -32.862 21.132 -19.245 1.00 0.00 C ATOM 608 OD1 ASP A 40 -32.274 21.502 -20.292 1.00 0.00 O ATOM 609 OD2 ASP A 40 -32.825 21.788 -18.177 1.00 0.00 O ATOM 0 H ASP A 40 -35.630 18.808 -21.367 1.00 0.00 H new ATOM 0 HA ASP A 40 -35.781 20.110 -18.833 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -33.602 19.345 -18.294 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -33.155 19.125 -19.974 1.00 0.00 H new ATOM 614 N GLY A 41 -34.983 20.954 -21.916 1.00 0.00 N ATOM 615 CA GLY A 41 -34.686 21.996 -22.901 1.00 0.00 C ATOM 616 C GLY A 41 -33.713 21.472 -23.971 1.00 0.00 C ATOM 617 O GLY A 41 -33.720 21.948 -25.105 1.00 0.00 O ATOM 0 H GLY A 41 -34.925 20.016 -22.313 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -35.609 22.330 -23.374 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -34.253 22.863 -22.402 1.00 0.00 H new ATOM 621 N GLN A 42 -32.910 20.455 -23.623 1.00 0.00 N ATOM 622 CA GLN A 42 -32.055 19.696 -24.545 1.00 0.00 C ATOM 623 C GLN A 42 -32.654 18.300 -24.806 1.00 0.00 C ATOM 624 O GLN A 42 -33.494 17.810 -24.035 1.00 0.00 O ATOM 625 CB GLN A 42 -30.596 19.564 -24.034 1.00 0.00 C ATOM 626 CG GLN A 42 -30.106 20.506 -22.921 1.00 0.00 C ATOM 627 CD GLN A 42 -30.208 21.990 -23.265 1.00 0.00 C ATOM 628 OE1 GLN A 42 -29.666 22.474 -24.253 1.00 0.00 O ATOM 629 NE2 GLN A 42 -30.899 22.770 -22.460 1.00 0.00 N ATOM 0 H GLN A 42 -32.836 20.128 -22.660 1.00 0.00 H new ATOM 0 HA GLN A 42 -32.019 20.258 -25.478 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -30.462 18.541 -23.682 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -29.935 19.695 -24.890 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -30.684 20.314 -22.017 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -29.067 20.269 -22.691 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -31.354 22.377 -21.636 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -30.980 23.767 -22.661 1.00 0.00 H new ATOM 638 N PHE A 43 -32.176 17.660 -25.877 1.00 0.00 N ATOM 639 CA PHE A 43 -32.735 16.440 -26.464 1.00 0.00 C ATOM 640 C PHE A 43 -31.684 15.328 -26.594 1.00 0.00 C ATOM 641 O PHE A 43 -30.537 15.576 -26.979 1.00 0.00 O ATOM 642 CB PHE A 43 -33.336 16.786 -27.835 1.00 0.00 C ATOM 643 CG PHE A 43 -33.812 15.593 -28.648 1.00 0.00 C ATOM 644 CD1 PHE A 43 -34.948 14.866 -28.247 1.00 0.00 C ATOM 645 CD2 PHE A 43 -33.120 15.210 -29.814 1.00 0.00 C ATOM 646 CE1 PHE A 43 -35.421 13.797 -29.027 1.00 0.00 C ATOM 647 CE2 PHE A 43 -33.579 14.128 -30.586 1.00 0.00 C ATOM 648 CZ PHE A 43 -34.737 13.430 -30.201 1.00 0.00 C ATOM 0 H PHE A 43 -31.353 17.993 -26.380 1.00 0.00 H new ATOM 0 HA PHE A 43 -33.511 16.056 -25.802 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -34.177 17.463 -27.686 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -32.589 17.328 -28.416 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -35.460 15.131 -27.334 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -32.234 15.749 -30.116 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -36.307 13.258 -28.726 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -33.042 13.833 -31.475 1.00 0.00 H new ATOM 0 HZ PHE A 43 -35.101 12.613 -30.806 1.00 0.00 H new ATOM 658 N PHE A 44 -32.099 14.100 -26.277 1.00 0.00 N ATOM 659 CA PHE A 44 -31.258 12.903 -26.169 1.00 0.00 C ATOM 660 C PHE A 44 -31.898 11.693 -26.856 1.00 0.00 C ATOM 661 O PHE A 44 -33.117 11.647 -26.988 1.00 0.00 O ATOM 662 CB PHE A 44 -31.029 12.624 -24.678 1.00 0.00 C ATOM 663 CG PHE A 44 -30.384 13.797 -23.972 1.00 0.00 C ATOM 664 CD1 PHE A 44 -28.998 13.997 -24.088 1.00 0.00 C ATOM 665 CD2 PHE A 44 -31.180 14.748 -23.303 1.00 0.00 C ATOM 666 CE1 PHE A 44 -28.408 15.155 -23.558 1.00 0.00 C ATOM 667 CE2 PHE A 44 -30.585 15.904 -22.768 1.00 0.00 C ATOM 668 CZ PHE A 44 -29.202 16.109 -22.900 1.00 0.00 C ATOM 0 H PHE A 44 -33.080 13.902 -26.078 1.00 0.00 H new ATOM 0 HA PHE A 44 -30.309 13.079 -26.676 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -31.982 12.395 -24.202 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -30.397 11.743 -24.567 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -28.386 13.259 -24.585 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -32.243 14.589 -23.202 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -27.344 15.313 -23.656 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -31.192 16.635 -22.255 1.00 0.00 H new ATOM 0 HZ PHE A 44 -28.748 17.001 -22.495 1.00 0.00 H new ATOM 678 N GLU A 45 -31.098 10.691 -27.239 1.00 0.00 N ATOM 679 CA GLU A 45 -31.537 9.459 -27.925 1.00 0.00 C ATOM 680 C GLU A 45 -30.784 8.238 -27.368 1.00 0.00 C ATOM 681 O GLU A 45 -29.559 8.268 -27.209 1.00 0.00 O ATOM 682 CB GLU A 45 -31.324 9.563 -29.448 1.00 0.00 C ATOM 683 CG GLU A 45 -31.929 10.824 -30.092 1.00 0.00 C ATOM 684 CD GLU A 45 -32.383 10.556 -31.539 1.00 0.00 C ATOM 685 OE1 GLU A 45 -31.548 10.642 -32.473 1.00 0.00 O ATOM 686 OE2 GLU A 45 -33.586 10.262 -31.744 1.00 0.00 O ATOM 0 H GLU A 45 -30.091 10.711 -27.077 1.00 0.00 H new ATOM 0 HA GLU A 45 -32.604 9.334 -27.739 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -30.254 9.542 -29.655 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.758 8.683 -29.924 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -32.779 11.164 -29.500 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -31.192 11.627 -30.083 1.00 0.00 H new ATOM 693 N GLY A 46 -31.516 7.161 -27.072 1.00 0.00 N ATOM 694 CA GLY A 46 -31.021 5.953 -26.404 1.00 0.00 C ATOM 695 C GLY A 46 -31.510 4.676 -27.080 1.00 0.00 C ATOM 696 O GLY A 46 -32.714 4.438 -27.157 1.00 0.00 O ATOM 0 H GLY A 46 -32.509 7.104 -27.300 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -29.931 5.964 -26.399 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -31.345 5.957 -25.363 1.00 0.00 H new ATOM 700 N SER A 47 -30.585 3.849 -27.565 1.00 0.00 N ATOM 701 CA SER A 47 -30.876 2.676 -28.400 1.00 0.00 C ATOM 702 C SER A 47 -30.731 1.361 -27.630 1.00 0.00 C ATOM 703 O SER A 47 -29.624 0.933 -27.294 1.00 0.00 O ATOM 704 CB SER A 47 -29.984 2.697 -29.640 1.00 0.00 C ATOM 705 OG SER A 47 -28.608 2.852 -29.325 1.00 0.00 O ATOM 0 H SER A 47 -29.589 3.976 -27.386 1.00 0.00 H new ATOM 0 HA SER A 47 -31.920 2.732 -28.709 1.00 0.00 H new ATOM 0 HB2 SER A 47 -30.122 1.771 -30.197 1.00 0.00 H new ATOM 0 HB3 SER A 47 -30.297 3.512 -30.293 1.00 0.00 H new ATOM 0 HG SER A 47 -28.390 2.312 -28.537 1.00 0.00 H new ATOM 711 N GLY A 48 -31.874 0.768 -27.288 1.00 0.00 N ATOM 712 CA GLY A 48 -31.983 -0.452 -26.482 1.00 0.00 C ATOM 713 C GLY A 48 -32.980 -1.494 -26.986 1.00 0.00 C ATOM 714 O GLY A 48 -34.074 -1.146 -27.422 1.00 0.00 O ATOM 0 H GLY A 48 -32.782 1.135 -27.573 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.999 -0.916 -26.425 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.262 -0.171 -25.467 1.00 0.00 H new ATOM 718 N ARG A 49 -32.620 -2.783 -26.951 1.00 0.00 N ATOM 719 CA ARG A 49 -33.499 -3.887 -27.391 1.00 0.00 C ATOM 720 C ARG A 49 -34.871 -4.010 -26.685 1.00 0.00 C ATOM 721 O ARG A 49 -35.736 -4.720 -27.190 1.00 0.00 O ATOM 722 CB ARG A 49 -32.716 -5.216 -27.404 1.00 0.00 C ATOM 723 CG ARG A 49 -33.120 -6.070 -28.622 1.00 0.00 C ATOM 724 CD ARG A 49 -32.288 -7.346 -28.858 1.00 0.00 C ATOM 725 NE ARG A 49 -30.823 -7.182 -28.693 1.00 0.00 N ATOM 726 CZ ARG A 49 -30.017 -6.305 -29.273 1.00 0.00 C ATOM 727 NH1 ARG A 49 -30.425 -5.446 -30.155 1.00 0.00 N ATOM 728 NH2 ARG A 49 -28.756 -6.246 -28.961 1.00 0.00 N ATOM 0 H ARG A 49 -31.709 -3.096 -26.616 1.00 0.00 H new ATOM 0 HA ARG A 49 -33.793 -3.622 -28.407 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -31.645 -5.014 -27.434 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -32.911 -5.768 -26.485 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -34.165 -6.357 -28.509 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -33.056 -5.448 -29.515 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -32.631 -8.117 -28.169 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -32.486 -7.709 -29.867 1.00 0.00 H new ATOM 0 HE ARG A 49 -30.376 -7.832 -28.046 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -31.407 -5.425 -30.431 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -29.764 -4.791 -30.573 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -28.374 -6.881 -28.260 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -28.149 -5.565 -29.417 1.00 0.00 H new ATOM 742 N ASN A 50 -35.100 -3.313 -25.564 1.00 0.00 N ATOM 743 CA ASN A 50 -36.439 -2.916 -25.084 1.00 0.00 C ATOM 744 C ASN A 50 -36.360 -1.667 -24.170 1.00 0.00 C ATOM 745 O ASN A 50 -35.256 -1.191 -23.897 1.00 0.00 O ATOM 746 CB ASN A 50 -37.172 -4.109 -24.428 1.00 0.00 C ATOM 747 CG ASN A 50 -38.656 -4.116 -24.770 1.00 0.00 C ATOM 748 OD1 ASN A 50 -39.332 -3.096 -24.726 1.00 0.00 O ATOM 749 ND2 ASN A 50 -39.209 -5.243 -25.146 1.00 0.00 N ATOM 0 H ASN A 50 -34.347 -3.001 -24.950 1.00 0.00 H new ATOM 0 HA ASN A 50 -37.042 -2.624 -25.943 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -36.718 -5.042 -24.760 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -37.048 -4.062 -23.346 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -40.197 -5.267 -25.400 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -38.652 -6.096 -25.185 1.00 0.00 H new ATOM 756 N LYS A 51 -37.492 -1.134 -23.673 1.00 0.00 N ATOM 757 CA LYS A 51 -37.571 0.155 -22.930 1.00 0.00 C ATOM 758 C LYS A 51 -36.557 0.277 -21.801 1.00 0.00 C ATOM 759 O LYS A 51 -35.790 1.230 -21.791 1.00 0.00 O ATOM 760 CB LYS A 51 -38.967 0.422 -22.339 1.00 0.00 C ATOM 761 CG LYS A 51 -40.121 0.355 -23.359 1.00 0.00 C ATOM 762 CD LYS A 51 -41.135 -0.740 -22.978 1.00 0.00 C ATOM 763 CE LYS A 51 -42.222 -0.985 -24.036 1.00 0.00 C ATOM 764 NZ LYS A 51 -41.666 -1.529 -25.305 1.00 0.00 N ATOM 0 H LYS A 51 -38.399 -1.590 -23.774 1.00 0.00 H new ATOM 0 HA LYS A 51 -37.342 0.899 -23.693 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -39.157 -0.303 -21.548 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -38.968 1.408 -21.874 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -40.625 1.321 -23.407 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -39.721 0.155 -24.353 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -40.598 -1.672 -22.802 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -41.614 -0.466 -22.038 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -42.962 -1.680 -23.639 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -42.742 -0.050 -24.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -42.378 -2.131 -25.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -41.414 -0.744 -25.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -40.817 -2.094 -25.098 1.00 0.00 H new ATOM 778 N LYS A 52 -36.495 -0.716 -20.909 1.00 0.00 N ATOM 779 CA LYS A 52 -35.545 -0.810 -19.780 1.00 0.00 C ATOM 780 C LYS A 52 -34.057 -0.765 -20.152 1.00 0.00 C ATOM 781 O LYS A 52 -33.218 -0.709 -19.263 1.00 0.00 O ATOM 782 CB LYS A 52 -35.866 -2.056 -18.927 1.00 0.00 C ATOM 783 CG LYS A 52 -35.318 -3.407 -19.444 1.00 0.00 C ATOM 784 CD LYS A 52 -35.805 -3.805 -20.849 1.00 0.00 C ATOM 785 CE LYS A 52 -35.189 -5.111 -21.373 1.00 0.00 C ATOM 786 NZ LYS A 52 -35.626 -6.303 -20.595 1.00 0.00 N ATOM 0 H LYS A 52 -37.129 -1.514 -20.950 1.00 0.00 H new ATOM 0 HA LYS A 52 -35.697 0.101 -19.201 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -35.476 -1.892 -17.923 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -36.949 -2.139 -18.838 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -34.229 -3.363 -19.451 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -35.601 -4.191 -18.741 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -36.890 -3.908 -20.831 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -35.572 -3.000 -21.546 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -35.464 -5.244 -22.419 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -34.102 -5.036 -21.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -35.182 -7.157 -20.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -35.341 -6.192 -19.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -36.661 -6.394 -20.651 1.00 0.00 H new ATOM 800 N LEU A 53 -33.725 -0.785 -21.441 1.00 0.00 N ATOM 801 CA LEU A 53 -32.384 -0.568 -21.980 1.00 0.00 C ATOM 802 C LEU A 53 -32.351 0.715 -22.830 1.00 0.00 C ATOM 803 O LEU A 53 -31.459 1.538 -22.653 1.00 0.00 O ATOM 804 CB LEU A 53 -31.977 -1.853 -22.732 1.00 0.00 C ATOM 805 CG LEU A 53 -30.593 -1.850 -23.405 1.00 0.00 C ATOM 806 CD1 LEU A 53 -29.461 -1.445 -22.458 1.00 0.00 C ATOM 807 CD2 LEU A 53 -30.288 -3.250 -23.939 1.00 0.00 C ATOM 0 H LEU A 53 -34.415 -0.961 -22.172 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.646 -0.396 -21.197 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -32.012 -2.685 -22.028 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -32.727 -2.052 -23.497 1.00 0.00 H new ATOM 0 HG LEU A 53 -30.638 -1.111 -24.205 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.513 -1.464 -22.995 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.645 -0.439 -22.081 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.418 -2.144 -21.622 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -29.308 -3.252 -24.417 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -30.291 -3.963 -23.114 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -31.047 -3.535 -24.667 1.00 0.00 H new ATOM 819 N ALA A 54 -33.341 0.940 -23.698 1.00 0.00 N ATOM 820 CA ALA A 54 -33.497 2.160 -24.492 1.00 0.00 C ATOM 821 C ALA A 54 -33.538 3.436 -23.635 1.00 0.00 C ATOM 822 O ALA A 54 -32.673 4.300 -23.758 1.00 0.00 O ATOM 823 CB ALA A 54 -34.725 1.981 -25.388 1.00 0.00 C ATOM 0 H ALA A 54 -34.078 0.257 -23.872 1.00 0.00 H new ATOM 0 HA ALA A 54 -32.617 2.307 -25.118 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -34.867 2.876 -25.993 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -34.577 1.121 -26.041 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -35.607 1.818 -24.768 1.00 0.00 H new ATOM 829 N LYS A 55 -34.507 3.529 -22.714 1.00 0.00 N ATOM 830 CA LYS A 55 -34.527 4.497 -21.603 1.00 0.00 C ATOM 831 C LYS A 55 -33.277 4.423 -20.742 1.00 0.00 C ATOM 832 O LYS A 55 -32.885 5.482 -20.308 1.00 0.00 O ATOM 833 CB LYS A 55 -35.769 4.315 -20.730 1.00 0.00 C ATOM 834 CG LYS A 55 -37.022 4.796 -21.416 1.00 0.00 C ATOM 835 CD LYS A 55 -37.448 6.189 -21.017 1.00 0.00 C ATOM 836 CE LYS A 55 -38.824 6.432 -21.637 1.00 0.00 C ATOM 837 NZ LYS A 55 -38.816 6.622 -23.115 1.00 0.00 N ATOM 0 H LYS A 55 -35.323 2.917 -22.719 1.00 0.00 H new ATOM 0 HA LYS A 55 -34.556 5.485 -22.063 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -35.879 3.262 -20.473 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -35.637 4.859 -19.795 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -36.865 4.771 -22.494 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -37.833 4.102 -21.195 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -37.492 6.282 -19.932 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -36.730 6.928 -21.372 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -39.470 5.588 -21.396 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -39.266 7.314 -21.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -39.767 6.897 -23.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -38.137 7.369 -23.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -38.539 5.733 -23.578 1.00 0.00 H new ATOM 851 N ALA A 56 -32.659 3.273 -20.437 1.00 0.00 N ATOM 852 CA ALA A 56 -31.432 3.253 -19.634 1.00 0.00 C ATOM 853 C ALA A 56 -30.343 4.130 -20.253 1.00 0.00 C ATOM 854 O ALA A 56 -29.847 5.032 -19.599 1.00 0.00 O ATOM 855 CB ALA A 56 -30.949 1.824 -19.376 1.00 0.00 C ATOM 0 H ALA A 56 -32.986 2.353 -20.732 1.00 0.00 H new ATOM 0 HA ALA A 56 -31.669 3.683 -18.661 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -30.038 1.850 -18.778 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -31.720 1.271 -18.839 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -30.745 1.332 -20.327 1.00 0.00 H new ATOM 861 N ARG A 57 -30.020 3.878 -21.523 1.00 0.00 N ATOM 862 CA ARG A 57 -29.169 4.654 -22.433 1.00 0.00 C ATOM 863 C ARG A 57 -29.606 6.114 -22.592 1.00 0.00 C ATOM 864 O ARG A 57 -28.799 7.015 -22.374 1.00 0.00 O ATOM 865 CB ARG A 57 -29.139 3.917 -23.789 1.00 0.00 C ATOM 866 CG ARG A 57 -28.657 2.452 -23.722 1.00 0.00 C ATOM 867 CD ARG A 57 -27.146 2.245 -23.792 1.00 0.00 C ATOM 868 NE ARG A 57 -26.403 2.904 -22.699 1.00 0.00 N ATOM 869 CZ ARG A 57 -25.175 3.389 -22.751 1.00 0.00 C ATOM 870 NH1 ARG A 57 -24.435 3.329 -23.822 1.00 0.00 N ATOM 871 NH2 ARG A 57 -24.667 3.952 -21.696 1.00 0.00 N ATOM 0 H ARG A 57 -30.382 3.045 -21.987 1.00 0.00 H new ATOM 0 HA ARG A 57 -28.169 4.717 -22.004 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -30.141 3.935 -24.218 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -28.490 4.467 -24.471 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -29.022 2.011 -22.794 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -29.119 1.900 -24.541 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -26.934 1.176 -23.770 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -26.781 2.623 -24.747 1.00 0.00 H new ATOM 0 HE ARG A 57 -26.890 2.995 -21.808 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -24.799 2.893 -24.669 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -23.492 3.718 -23.813 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.215 4.016 -20.838 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -23.720 4.330 -21.725 1.00 0.00 H new ATOM 885 N ALA A 58 -30.863 6.352 -22.981 1.00 0.00 N ATOM 886 CA ALA A 58 -31.448 7.689 -23.122 1.00 0.00 C ATOM 887 C ALA A 58 -31.324 8.493 -21.828 1.00 0.00 C ATOM 888 O ALA A 58 -30.694 9.547 -21.810 1.00 0.00 O ATOM 889 CB ALA A 58 -32.908 7.591 -23.574 1.00 0.00 C ATOM 0 H ALA A 58 -31.516 5.603 -23.212 1.00 0.00 H new ATOM 0 HA ALA A 58 -30.887 8.222 -23.890 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -33.326 8.593 -23.673 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -32.958 7.080 -24.535 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -33.481 7.030 -22.835 1.00 0.00 H new ATOM 895 N ALA A 59 -31.858 7.936 -20.738 1.00 0.00 N ATOM 896 CA ALA A 59 -31.602 8.397 -19.371 1.00 0.00 C ATOM 897 C ALA A 59 -30.126 8.680 -19.099 1.00 0.00 C ATOM 898 O ALA A 59 -29.786 9.818 -18.844 1.00 0.00 O ATOM 899 CB ALA A 59 -32.139 7.403 -18.328 1.00 0.00 C ATOM 0 H ALA A 59 -32.492 7.138 -20.782 1.00 0.00 H new ATOM 0 HA ALA A 59 -32.140 9.340 -19.278 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -31.931 7.779 -17.326 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -33.215 7.288 -18.456 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -31.652 6.437 -18.462 1.00 0.00 H new ATOM 905 N GLN A 60 -29.241 7.693 -19.189 1.00 0.00 N ATOM 906 CA GLN A 60 -27.801 7.818 -18.943 1.00 0.00 C ATOM 907 C GLN A 60 -27.196 9.033 -19.666 1.00 0.00 C ATOM 908 O GLN A 60 -26.594 9.887 -19.015 1.00 0.00 O ATOM 909 CB GLN A 60 -27.145 6.485 -19.352 1.00 0.00 C ATOM 910 CG GLN A 60 -27.158 5.461 -18.202 1.00 0.00 C ATOM 911 CD GLN A 60 -26.915 4.021 -18.658 1.00 0.00 C ATOM 912 OE1 GLN A 60 -26.754 3.705 -19.831 1.00 0.00 O ATOM 913 NE2 GLN A 60 -26.859 3.079 -17.742 1.00 0.00 N ATOM 0 H GLN A 60 -29.514 6.744 -19.445 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.610 8.005 -17.886 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.671 6.071 -20.213 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.117 6.667 -19.664 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -26.395 5.736 -17.474 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -28.119 5.514 -17.691 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -26.990 3.316 -16.758 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -26.685 2.112 -18.015 1.00 0.00 H new ATOM 922 N SER A 61 -27.411 9.150 -20.981 1.00 0.00 N ATOM 923 CA SER A 61 -27.029 10.317 -21.786 1.00 0.00 C ATOM 924 C SER A 61 -27.598 11.655 -21.267 1.00 0.00 C ATOM 925 O SER A 61 -26.836 12.574 -20.939 1.00 0.00 O ATOM 926 CB SER A 61 -27.335 10.049 -23.270 1.00 0.00 C ATOM 927 OG SER A 61 -28.689 10.197 -23.631 1.00 0.00 O ATOM 0 H SER A 61 -27.866 8.419 -21.528 1.00 0.00 H new ATOM 0 HA SER A 61 -25.952 10.450 -21.682 1.00 0.00 H new ATOM 0 HB2 SER A 61 -26.735 10.726 -23.878 1.00 0.00 H new ATOM 0 HB3 SER A 61 -27.017 9.035 -23.515 1.00 0.00 H new ATOM 0 HG SER A 61 -29.257 9.793 -22.942 1.00 0.00 H new ATOM 933 N ALA A 62 -28.928 11.752 -21.152 1.00 0.00 N ATOM 934 CA ALA A 62 -29.677 12.900 -20.654 1.00 0.00 C ATOM 935 C ALA A 62 -29.219 13.321 -19.260 1.00 0.00 C ATOM 936 O ALA A 62 -28.664 14.400 -19.086 1.00 0.00 O ATOM 937 CB ALA A 62 -31.170 12.539 -20.696 1.00 0.00 C ATOM 0 H ALA A 62 -29.541 10.983 -21.421 1.00 0.00 H new ATOM 0 HA ALA A 62 -29.493 13.768 -21.287 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -31.758 13.380 -20.329 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -31.461 12.313 -21.722 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -31.351 11.667 -20.067 1.00 0.00 H new ATOM 943 N LEU A 63 -29.420 12.433 -18.289 1.00 0.00 N ATOM 944 CA LEU A 63 -29.113 12.549 -16.880 1.00 0.00 C ATOM 945 C LEU A 63 -27.669 13.003 -16.643 1.00 0.00 C ATOM 946 O LEU A 63 -27.460 14.021 -15.990 1.00 0.00 O ATOM 947 CB LEU A 63 -29.409 11.191 -16.225 1.00 0.00 C ATOM 948 CG LEU A 63 -29.727 11.300 -14.739 1.00 0.00 C ATOM 949 CD1 LEU A 63 -31.036 12.075 -14.554 1.00 0.00 C ATOM 950 CD2 LEU A 63 -29.895 9.895 -14.177 1.00 0.00 C ATOM 0 H LEU A 63 -29.844 11.529 -18.498 1.00 0.00 H new ATOM 0 HA LEU A 63 -29.734 13.321 -16.426 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -30.250 10.723 -16.737 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -28.549 10.535 -16.359 1.00 0.00 H new ATOM 0 HG LEU A 63 -28.921 11.821 -14.221 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -31.265 12.154 -13.491 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.930 13.074 -14.978 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.845 11.549 -15.061 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -30.123 9.954 -13.113 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -30.710 9.391 -14.696 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -28.972 9.333 -14.320 1.00 0.00 H new ATOM 962 N ALA A 64 -26.676 12.300 -17.208 1.00 0.00 N ATOM 963 CA ALA A 64 -25.279 12.734 -17.153 1.00 0.00 C ATOM 964 C ALA A 64 -25.086 14.158 -17.701 1.00 0.00 C ATOM 965 O ALA A 64 -24.464 14.985 -17.035 1.00 0.00 O ATOM 966 CB ALA A 64 -24.381 11.724 -17.875 1.00 0.00 C ATOM 0 H ALA A 64 -26.820 11.424 -17.710 1.00 0.00 H new ATOM 0 HA ALA A 64 -24.985 12.770 -16.104 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -23.345 12.059 -17.827 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -24.470 10.749 -17.395 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.688 11.644 -18.918 1.00 0.00 H new ATOM 972 N THR A 65 -25.622 14.462 -18.891 1.00 0.00 N ATOM 973 CA THR A 65 -25.592 15.821 -19.468 1.00 0.00 C ATOM 974 C THR A 65 -26.195 16.891 -18.551 1.00 0.00 C ATOM 975 O THR A 65 -25.484 17.824 -18.171 1.00 0.00 O ATOM 976 CB THR A 65 -26.221 15.863 -20.870 1.00 0.00 C ATOM 977 OG1 THR A 65 -25.552 14.957 -21.722 1.00 0.00 O ATOM 978 CG2 THR A 65 -26.097 17.252 -21.499 1.00 0.00 C ATOM 0 H THR A 65 -26.089 13.776 -19.484 1.00 0.00 H new ATOM 0 HA THR A 65 -24.536 16.071 -19.567 1.00 0.00 H new ATOM 0 HB THR A 65 -27.273 15.602 -20.758 1.00 0.00 H new ATOM 0 HG1 THR A 65 -25.893 14.051 -21.568 1.00 0.00 H new ATOM 0 HG21 THR A 65 -26.552 17.245 -22.489 1.00 0.00 H new ATOM 0 HG22 THR A 65 -26.606 17.983 -20.871 1.00 0.00 H new ATOM 0 HG23 THR A 65 -25.044 17.519 -21.586 1.00 0.00 H new ATOM 986 N VAL A 66 -27.484 16.794 -18.188 1.00 0.00 N ATOM 987 CA VAL A 66 -28.115 17.762 -17.274 1.00 0.00 C ATOM 988 C VAL A 66 -27.369 17.893 -15.947 1.00 0.00 C ATOM 989 O VAL A 66 -27.116 19.012 -15.520 1.00 0.00 O ATOM 990 CB VAL A 66 -29.633 17.580 -17.052 1.00 0.00 C ATOM 991 CG1 VAL A 66 -30.431 18.070 -18.262 1.00 0.00 C ATOM 992 CG2 VAL A 66 -30.112 16.158 -16.754 1.00 0.00 C ATOM 0 H VAL A 66 -28.109 16.057 -18.512 1.00 0.00 H new ATOM 0 HA VAL A 66 -28.024 18.706 -17.811 1.00 0.00 H new ATOM 0 HB VAL A 66 -29.812 18.175 -16.156 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -31.496 17.929 -18.077 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -30.228 19.128 -18.427 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -30.138 17.502 -19.145 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -31.193 16.159 -16.618 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -29.852 15.504 -17.587 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -29.632 15.795 -15.845 1.00 0.00 H new ATOM 1002 N PHE A 67 -27.003 16.794 -15.283 1.00 0.00 N ATOM 1003 CA PHE A 67 -26.182 16.809 -14.063 1.00 0.00 C ATOM 1004 C PHE A 67 -24.830 17.531 -14.214 1.00 0.00 C ATOM 1005 O PHE A 67 -24.446 18.312 -13.342 1.00 0.00 O ATOM 1006 CB PHE A 67 -25.985 15.399 -13.508 1.00 0.00 C ATOM 1007 CG PHE A 67 -27.195 14.655 -12.961 1.00 0.00 C ATOM 1008 CD1 PHE A 67 -28.517 15.089 -13.191 1.00 0.00 C ATOM 1009 CD2 PHE A 67 -26.984 13.471 -12.225 1.00 0.00 C ATOM 1010 CE1 PHE A 67 -29.600 14.344 -12.720 1.00 0.00 C ATOM 1011 CE2 PHE A 67 -28.075 12.745 -11.712 1.00 0.00 C ATOM 1012 CZ PHE A 67 -29.386 13.187 -11.952 1.00 0.00 C ATOM 0 H PHE A 67 -27.270 15.855 -15.579 1.00 0.00 H new ATOM 0 HA PHE A 67 -26.752 17.399 -13.345 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -25.552 14.789 -14.301 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -25.244 15.458 -12.710 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -28.693 16.005 -13.736 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -25.978 13.119 -12.054 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -30.608 14.659 -12.947 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -27.904 11.849 -11.134 1.00 0.00 H new ATOM 0 HZ PHE A 67 -30.226 12.640 -11.548 1.00 0.00 H new ATOM 1022 N ASN A 68 -24.078 17.246 -15.285 1.00 0.00 N ATOM 1023 CA ASN A 68 -22.845 17.955 -15.655 1.00 0.00 C ATOM 1024 C ASN A 68 -23.058 19.472 -15.801 1.00 0.00 C ATOM 1025 O ASN A 68 -22.219 20.263 -15.365 1.00 0.00 O ATOM 1026 CB ASN A 68 -22.260 17.309 -16.924 1.00 0.00 C ATOM 1027 CG ASN A 68 -20.961 17.962 -17.368 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -19.887 17.674 -16.858 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -21.012 18.857 -18.330 1.00 0.00 N ATOM 0 H ASN A 68 -24.316 16.497 -15.935 1.00 0.00 H new ATOM 0 HA ASN A 68 -22.121 17.854 -14.846 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.085 16.249 -16.740 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -22.990 17.376 -17.731 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.156 19.311 -18.650 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -21.907 19.098 -18.756 1.00 0.00 H new ATOM 1036 N LEU A 69 -24.197 19.866 -16.383 1.00 0.00 N ATOM 1037 CA LEU A 69 -24.720 21.235 -16.357 1.00 0.00 C ATOM 1038 C LEU A 69 -24.916 21.710 -14.895 1.00 0.00 C ATOM 1039 O LEU A 69 -24.191 22.610 -14.463 1.00 0.00 O ATOM 1040 CB LEU A 69 -25.948 21.286 -17.305 1.00 0.00 C ATOM 1041 CG LEU A 69 -27.218 22.026 -16.853 1.00 0.00 C ATOM 1042 CD1 LEU A 69 -26.990 23.531 -16.684 1.00 0.00 C ATOM 1043 CD2 LEU A 69 -28.310 21.876 -17.917 1.00 0.00 C ATOM 0 H LEU A 69 -24.796 19.222 -16.899 1.00 0.00 H new ATOM 0 HA LEU A 69 -24.022 21.975 -16.749 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -25.621 21.739 -18.241 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -26.231 20.258 -17.530 1.00 0.00 H new ATOM 0 HG LEU A 69 -27.503 21.587 -15.897 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -27.917 24.006 -16.364 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -26.218 23.700 -15.933 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -26.672 23.960 -17.634 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -29.208 22.402 -17.593 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -27.961 22.300 -18.859 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -28.539 20.820 -18.057 1.00 0.00 H new