USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 32 LYS NZ :NH3+ -130:sc= -0.324 (180deg=-0.837) USER MOD Set 1.2: A 71 TYR OH : rot -120:sc= -0.354 USER MOD Set 2.1: A 68 SER OG : rot 120:sc= -0.172 USER MOD Set 2.2: A 72 THR OG1 : rot 159:sc= 0.0278 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 15 GLN : amide:sc= 0.581 K(o=0.58,f=-0.91) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.41 K(o=-1.4,f=-3.4) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.824 K(o=-0.82,f=-0.0045) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.404 K(o=-0.4,f=-1.2) USER MOD Single : A 31 HIS : no HD1:sc= 0.347 K(o=0.35,f=-2!) USER MOD Single : A 35 SER OG : rot 84:sc= 0.72 USER MOD Single : A 38 SER OG : rot 76:sc= 1.15 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.012) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0387 K(o=-0.039,f=-1.5!) USER MOD Single : A 81 THR OG1 : rot 82:sc= 1.27 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.517 K(o=-0.52,f=-1.6) USER MOD Single : A 85 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N THR A 6 10.887 -6.600 -10.705 1.00 0.00 N ATOM 83 CA THR A 6 11.572 -6.987 -9.478 1.00 0.00 C ATOM 84 C THR A 6 12.113 -8.404 -9.615 1.00 0.00 C ATOM 85 O THR A 6 11.771 -9.120 -10.556 1.00 0.00 O ATOM 86 CB THR A 6 10.609 -6.900 -8.293 1.00 0.00 C ATOM 87 OG1 THR A 6 9.513 -7.764 -8.505 1.00 0.00 O ATOM 88 CG2 THR A 6 10.103 -5.471 -8.119 1.00 0.00 C ATOM 0 HA THR A 6 12.405 -6.306 -9.302 1.00 0.00 H new ATOM 0 HB THR A 6 11.142 -7.198 -7.390 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.899 -7.706 -7.743 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.419 -5.428 -7.271 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.947 -4.806 -7.938 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.581 -5.157 -9.023 1.00 0.00 H new ATOM 96 N ASP A 7 12.962 -8.823 -8.675 1.00 0.00 N ATOM 97 CA ASP A 7 13.528 -10.161 -8.688 1.00 0.00 C ATOM 98 C ASP A 7 12.440 -11.218 -8.517 1.00 0.00 C ATOM 99 O ASP A 7 12.670 -12.387 -8.810 1.00 0.00 O ATOM 100 CB ASP A 7 14.560 -10.273 -7.568 1.00 0.00 C ATOM 101 CG ASP A 7 13.941 -10.000 -6.200 1.00 0.00 C ATOM 102 OD1 ASP A 7 13.782 -8.805 -5.869 1.00 0.00 O ATOM 103 OD2 ASP A 7 13.631 -10.986 -5.496 1.00 0.00 O ATOM 0 H ASP A 7 13.271 -8.246 -7.893 1.00 0.00 H new ATOM 0 HA ASP A 7 14.009 -10.336 -9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 7 14.999 -11.271 -7.576 1.00 0.00 H new ATOM 0 HB3 ASP A 7 15.370 -9.567 -7.748 1.00 0.00 H new ATOM 108 N GLN A 8 11.253 -10.825 -8.046 1.00 0.00 N ATOM 109 CA GLN A 8 10.171 -11.769 -7.827 1.00 0.00 C ATOM 110 C GLN A 8 9.529 -12.167 -9.152 1.00 0.00 C ATOM 111 O GLN A 8 9.288 -13.349 -9.378 1.00 0.00 O ATOM 112 CB GLN A 8 9.151 -11.148 -6.873 1.00 0.00 C ATOM 113 CG GLN A 8 8.055 -12.159 -6.523 1.00 0.00 C ATOM 114 CD GLN A 8 7.030 -11.583 -5.550 1.00 0.00 C ATOM 115 OE1 GLN A 8 7.122 -10.430 -5.133 1.00 0.00 O ATOM 116 NE2 GLN A 8 6.037 -12.385 -5.177 1.00 0.00 N ATOM 0 H GLN A 8 11.024 -9.859 -7.811 1.00 0.00 H new ATOM 0 HA GLN A 8 10.564 -12.679 -7.374 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.651 -10.816 -5.963 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.706 -10.265 -7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.550 -12.475 -7.436 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.509 -13.048 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.987 -13.337 -5.540 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.326 -12.048 -4.528 1.00 0.00 H new ATOM 125 N VAL A 9 9.252 -11.199 -10.031 1.00 0.00 N ATOM 126 CA VAL A 9 8.615 -11.487 -11.309 1.00 0.00 C ATOM 127 C VAL A 9 9.648 -11.906 -12.347 1.00 0.00 C ATOM 128 O VAL A 9 9.324 -12.631 -13.286 1.00 0.00 O ATOM 129 CB VAL A 9 7.812 -10.265 -11.766 1.00 0.00 C ATOM 130 CG1 VAL A 9 8.728 -9.067 -12.004 1.00 0.00 C ATOM 131 CG2 VAL A 9 7.044 -10.572 -13.053 1.00 0.00 C ATOM 0 H VAL A 9 9.460 -10.213 -9.877 1.00 0.00 H new ATOM 0 HA VAL A 9 7.928 -12.324 -11.190 1.00 0.00 H new ATOM 0 HB VAL A 9 7.105 -10.022 -10.972 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.133 -8.213 -12.328 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.248 -8.817 -11.079 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.457 -9.314 -12.775 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.481 -9.691 -13.360 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.747 -10.845 -13.840 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.356 -11.399 -12.878 1.00 0.00 H new ATOM 141 N LEU A 10 10.896 -11.462 -12.185 1.00 0.00 N ATOM 142 CA LEU A 10 11.949 -11.791 -13.133 1.00 0.00 C ATOM 143 C LEU A 10 12.354 -13.256 -12.967 1.00 0.00 C ATOM 144 O LEU A 10 12.800 -13.882 -13.925 1.00 0.00 O ATOM 145 CB LEU A 10 13.112 -10.820 -12.913 1.00 0.00 C ATOM 146 CG LEU A 10 14.217 -10.937 -13.964 1.00 0.00 C ATOM 147 CD1 LEU A 10 13.674 -10.708 -15.374 1.00 0.00 C ATOM 148 CD2 LEU A 10 15.263 -9.859 -13.689 1.00 0.00 C ATOM 0 H LEU A 10 11.196 -10.875 -11.407 1.00 0.00 H new ATOM 0 HA LEU A 10 11.607 -11.680 -14.162 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.728 -9.800 -12.915 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.540 -10.998 -11.927 1.00 0.00 H new ATOM 0 HG LEU A 10 14.640 -11.940 -13.904 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.486 -10.798 -16.096 1.00 0.00 H new ATOM 0 HD12 LEU A 10 12.908 -11.452 -15.594 1.00 0.00 H new ATOM 0 HD13 LEU A 10 13.240 -9.710 -15.439 1.00 0.00 H new ATOM 0 HD21 LEU A 10 16.060 -9.928 -14.430 1.00 0.00 H new ATOM 0 HD22 LEU A 10 14.796 -8.876 -13.748 1.00 0.00 H new ATOM 0 HD23 LEU A 10 15.681 -10.003 -12.693 1.00 0.00 H new ATOM 160 N VAL A 11 12.195 -13.807 -11.758 1.00 0.00 N ATOM 161 CA VAL A 11 12.459 -15.224 -11.523 1.00 0.00 C ATOM 162 C VAL A 11 11.312 -16.071 -12.065 1.00 0.00 C ATOM 163 O VAL A 11 11.558 -17.158 -12.584 1.00 0.00 O ATOM 164 CB VAL A 11 12.689 -15.464 -10.027 1.00 0.00 C ATOM 165 CG1 VAL A 11 12.648 -16.954 -9.675 1.00 0.00 C ATOM 166 CG2 VAL A 11 14.068 -14.927 -9.643 1.00 0.00 C ATOM 0 H VAL A 11 11.886 -13.293 -10.933 1.00 0.00 H new ATOM 0 HA VAL A 11 13.363 -15.522 -12.054 1.00 0.00 H new ATOM 0 HB VAL A 11 11.894 -14.954 -9.484 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.816 -17.080 -8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.673 -17.364 -9.940 1.00 0.00 H new ATOM 0 HG13 VAL A 11 13.426 -17.480 -10.228 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.240 -15.094 -8.580 1.00 0.00 H new ATOM 0 HG22 VAL A 11 14.834 -15.445 -10.220 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.114 -13.859 -9.855 1.00 0.00 H new ATOM 176 N GLU A 12 10.063 -15.602 -11.961 1.00 0.00 N ATOM 177 CA GLU A 12 8.942 -16.345 -12.525 1.00 0.00 C ATOM 178 C GLU A 12 9.049 -16.382 -14.045 1.00 0.00 C ATOM 179 O GLU A 12 8.601 -17.337 -14.675 1.00 0.00 O ATOM 180 CB GLU A 12 7.614 -15.699 -12.129 1.00 0.00 C ATOM 181 CG GLU A 12 7.396 -15.766 -10.621 1.00 0.00 C ATOM 182 CD GLU A 12 6.010 -15.244 -10.245 1.00 0.00 C ATOM 183 OE1 GLU A 12 5.823 -14.008 -10.294 1.00 0.00 O ATOM 184 OE2 GLU A 12 5.144 -16.085 -9.911 1.00 0.00 O ATOM 0 H GLU A 12 9.811 -14.728 -11.500 1.00 0.00 H new ATOM 0 HA GLU A 12 8.975 -17.361 -12.132 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.601 -14.659 -12.455 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.794 -16.204 -12.640 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.506 -16.795 -10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.160 -15.178 -10.113 1.00 0.00 H new ATOM 191 N ARG A 13 9.643 -15.344 -14.641 1.00 0.00 N ATOM 192 CA ARG A 13 9.801 -15.269 -16.083 1.00 0.00 C ATOM 193 C ARG A 13 10.864 -16.255 -16.566 1.00 0.00 C ATOM 194 O ARG A 13 10.764 -16.763 -17.680 1.00 0.00 O ATOM 195 CB ARG A 13 10.130 -13.823 -16.457 1.00 0.00 C ATOM 196 CG ARG A 13 10.253 -13.676 -17.972 1.00 0.00 C ATOM 197 CD ARG A 13 10.440 -12.207 -18.343 1.00 0.00 C ATOM 198 NE ARG A 13 10.694 -12.063 -19.780 1.00 0.00 N ATOM 199 CZ ARG A 13 10.696 -10.906 -20.443 1.00 0.00 C ATOM 200 NH1 ARG A 13 10.456 -9.758 -19.817 1.00 0.00 N ATOM 201 NH2 ARG A 13 10.943 -10.904 -21.748 1.00 0.00 N ATOM 0 H ARG A 13 10.022 -14.543 -14.137 1.00 0.00 H new ATOM 0 HA ARG A 13 8.875 -15.556 -16.582 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.351 -13.159 -16.084 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.062 -13.521 -15.980 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.098 -14.261 -18.335 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.360 -14.071 -18.457 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.550 -11.641 -18.068 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.272 -11.787 -17.778 1.00 0.00 H new ATOM 0 HE ARG A 13 10.883 -12.912 -20.313 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.267 -9.754 -18.815 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.461 -8.882 -20.339 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.129 -11.782 -22.233 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.947 -10.025 -22.265 1.00 0.00 H new ATOM 215 N VAL A 14 11.882 -16.534 -15.745 1.00 0.00 N ATOM 216 CA VAL A 14 12.896 -17.527 -16.087 1.00 0.00 C ATOM 217 C VAL A 14 12.323 -18.936 -15.930 1.00 0.00 C ATOM 218 O VAL A 14 12.749 -19.851 -16.634 1.00 0.00 O ATOM 219 CB VAL A 14 14.142 -17.324 -15.216 1.00 0.00 C ATOM 220 CG1 VAL A 14 15.186 -18.410 -15.474 1.00 0.00 C ATOM 221 CG2 VAL A 14 14.786 -15.980 -15.551 1.00 0.00 C ATOM 0 H VAL A 14 12.022 -16.084 -14.840 1.00 0.00 H new ATOM 0 HA VAL A 14 13.192 -17.402 -17.129 1.00 0.00 H new ATOM 0 HB VAL A 14 13.824 -17.364 -14.174 1.00 0.00 H new ATOM 0 HG11 VAL A 14 16.056 -18.236 -14.841 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.759 -19.387 -15.245 1.00 0.00 H new ATOM 0 HG13 VAL A 14 15.488 -18.383 -16.521 1.00 0.00 H new ATOM 0 HG21 VAL A 14 15.671 -15.836 -14.932 1.00 0.00 H new ATOM 0 HG22 VAL A 14 15.073 -15.966 -16.603 1.00 0.00 H new ATOM 0 HG23 VAL A 14 14.074 -15.177 -15.358 1.00 0.00 H new ATOM 231 N GLN A 15 11.361 -19.122 -15.022 1.00 0.00 N ATOM 232 CA GLN A 15 10.699 -20.408 -14.854 1.00 0.00 C ATOM 233 C GLN A 15 9.761 -20.698 -16.029 1.00 0.00 C ATOM 234 O GLN A 15 9.338 -21.837 -16.209 1.00 0.00 O ATOM 235 CB GLN A 15 9.949 -20.437 -13.523 1.00 0.00 C ATOM 236 CG GLN A 15 10.940 -20.493 -12.362 1.00 0.00 C ATOM 237 CD GLN A 15 10.244 -20.561 -11.007 1.00 0.00 C ATOM 238 OE1 GLN A 15 9.034 -20.378 -10.903 1.00 0.00 O ATOM 239 NE2 GLN A 15 11.006 -20.829 -9.951 1.00 0.00 N ATOM 0 H GLN A 15 11.026 -18.393 -14.393 1.00 0.00 H new ATOM 0 HA GLN A 15 11.454 -21.194 -14.840 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.320 -19.551 -13.432 1.00 0.00 H new ATOM 0 HB3 GLN A 15 9.287 -21.303 -13.488 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.585 -21.364 -12.480 1.00 0.00 H new ATOM 0 HG3 GLN A 15 11.583 -19.613 -12.394 1.00 0.00 H new ATOM 0 HE21 GLN A 15 12.008 -20.976 -10.070 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.588 -20.887 -9.022 1.00 0.00 H new ATOM 248 N LYS A 16 9.437 -19.675 -16.828 1.00 0.00 N ATOM 249 CA LYS A 16 8.690 -19.847 -18.070 1.00 0.00 C ATOM 250 C LYS A 16 9.618 -20.230 -19.227 1.00 0.00 C ATOM 251 O LYS A 16 9.169 -20.346 -20.366 1.00 0.00 O ATOM 252 CB LYS A 16 7.885 -18.587 -18.379 1.00 0.00 C ATOM 253 CG LYS A 16 6.756 -18.428 -17.360 1.00 0.00 C ATOM 254 CD LYS A 16 5.978 -17.152 -17.664 1.00 0.00 C ATOM 255 CE LYS A 16 4.871 -16.967 -16.627 1.00 0.00 C ATOM 256 NZ LYS A 16 4.080 -15.754 -16.909 1.00 0.00 N ATOM 0 H LYS A 16 9.687 -18.707 -16.628 1.00 0.00 H new ATOM 0 HA LYS A 16 7.988 -20.671 -17.943 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.536 -17.713 -18.353 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.472 -18.647 -19.386 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.091 -19.291 -17.399 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.165 -18.386 -16.351 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.649 -16.293 -17.651 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.548 -17.206 -18.664 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.218 -17.840 -16.627 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.309 -16.897 -15.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.335 -15.651 -16.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.702 -14.921 -16.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.645 -15.834 -17.850 1.00 0.00 H new ATOM 270 N GLY A 17 10.910 -20.426 -18.940 1.00 0.00 N ATOM 271 CA GLY A 17 11.889 -20.864 -19.926 1.00 0.00 C ATOM 272 C GLY A 17 12.571 -19.702 -20.646 1.00 0.00 C ATOM 273 O GLY A 17 13.294 -19.928 -21.613 1.00 0.00 O ATOM 0 H GLY A 17 11.302 -20.283 -18.009 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.646 -21.473 -19.432 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.397 -21.501 -20.661 1.00 0.00 H new ATOM 277 N ASP A 18 12.353 -18.463 -20.188 1.00 0.00 N ATOM 278 CA ASP A 18 12.960 -17.299 -20.816 1.00 0.00 C ATOM 279 C ASP A 18 14.417 -17.167 -20.369 1.00 0.00 C ATOM 280 O ASP A 18 14.688 -16.883 -19.201 1.00 0.00 O ATOM 281 CB ASP A 18 12.150 -16.053 -20.454 1.00 0.00 C ATOM 282 CG ASP A 18 12.531 -14.851 -21.315 1.00 0.00 C ATOM 283 OD1 ASP A 18 13.704 -14.784 -21.740 1.00 0.00 O ATOM 284 OD2 ASP A 18 11.638 -14.003 -21.541 1.00 0.00 O ATOM 0 H ASP A 18 11.761 -18.248 -19.386 1.00 0.00 H new ATOM 0 HA ASP A 18 12.953 -17.413 -21.900 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.088 -16.264 -20.576 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.308 -15.811 -19.403 1.00 0.00 H new ATOM 289 N GLN A 19 15.361 -17.374 -21.291 1.00 0.00 N ATOM 290 CA GLN A 19 16.780 -17.283 -20.976 1.00 0.00 C ATOM 291 C GLN A 19 17.227 -15.821 -20.955 1.00 0.00 C ATOM 292 O GLN A 19 18.166 -15.469 -20.245 1.00 0.00 O ATOM 293 CB GLN A 19 17.569 -18.127 -21.981 1.00 0.00 C ATOM 294 CG GLN A 19 18.979 -18.453 -21.479 1.00 0.00 C ATOM 295 CD GLN A 19 19.942 -17.272 -21.556 1.00 0.00 C ATOM 296 OE1 GLN A 19 19.821 -16.403 -22.419 1.00 0.00 O ATOM 297 NE2 GLN A 19 20.910 -17.229 -20.647 1.00 0.00 N ATOM 0 H GLN A 19 15.162 -17.606 -22.264 1.00 0.00 H new ATOM 0 HA GLN A 19 16.973 -17.680 -19.980 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.031 -19.055 -22.176 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.637 -17.592 -22.928 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.918 -18.795 -20.446 1.00 0.00 H new ATOM 0 HG3 GLN A 19 19.382 -19.279 -22.065 1.00 0.00 H new ATOM 0 HE21 GLN A 19 20.983 -17.965 -19.945 1.00 0.00 H new ATOM 0 HE22 GLN A 19 21.580 -16.460 -20.651 1.00 0.00 H new ATOM 306 N LYS A 20 16.560 -14.959 -21.727 1.00 0.00 N ATOM 307 CA LYS A 20 16.923 -13.550 -21.810 1.00 0.00 C ATOM 308 C LYS A 20 16.547 -12.845 -20.513 1.00 0.00 C ATOM 309 O LYS A 20 17.187 -11.867 -20.141 1.00 0.00 O ATOM 310 CB LYS A 20 16.206 -12.896 -22.996 1.00 0.00 C ATOM 311 CG LYS A 20 16.461 -13.589 -24.339 1.00 0.00 C ATOM 312 CD LYS A 20 17.795 -13.216 -24.996 1.00 0.00 C ATOM 313 CE LYS A 20 19.004 -13.689 -24.191 1.00 0.00 C ATOM 314 NZ LYS A 20 20.253 -13.512 -24.956 1.00 0.00 N ATOM 0 H LYS A 20 15.761 -15.219 -22.305 1.00 0.00 H new ATOM 0 HA LYS A 20 17.999 -13.464 -21.960 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.134 -12.890 -22.800 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.523 -11.856 -23.070 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.432 -14.668 -24.189 1.00 0.00 H new ATOM 0 HG3 LYS A 20 15.650 -13.340 -25.023 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.837 -13.650 -25.995 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.845 -12.134 -25.117 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.064 -13.131 -23.257 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.881 -14.739 -23.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 21.059 -13.841 -24.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.202 -14.064 -25.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.380 -12.506 -25.186 1.00 0.00 H new ATOM 328 N ALA A 21 15.518 -13.337 -19.821 1.00 0.00 N ATOM 329 CA ALA A 21 15.152 -12.803 -18.520 1.00 0.00 C ATOM 330 C ALA A 21 16.223 -13.167 -17.492 1.00 0.00 C ATOM 331 O ALA A 21 16.415 -12.444 -16.516 1.00 0.00 O ATOM 332 CB ALA A 21 13.793 -13.368 -18.113 1.00 0.00 C ATOM 0 H ALA A 21 14.928 -14.103 -20.144 1.00 0.00 H new ATOM 0 HA ALA A 21 15.082 -11.716 -18.569 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.512 -12.972 -17.137 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.044 -13.081 -18.851 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.852 -14.455 -18.060 1.00 0.00 H new ATOM 338 N PHE A 22 16.926 -14.283 -17.707 1.00 0.00 N ATOM 339 CA PHE A 22 17.998 -14.687 -16.811 1.00 0.00 C ATOM 340 C PHE A 22 19.279 -13.917 -17.114 1.00 0.00 C ATOM 341 O PHE A 22 20.047 -13.624 -16.206 1.00 0.00 O ATOM 342 CB PHE A 22 18.234 -16.191 -16.907 1.00 0.00 C ATOM 343 CG PHE A 22 19.180 -16.683 -15.838 1.00 0.00 C ATOM 344 CD1 PHE A 22 18.729 -16.800 -14.515 1.00 0.00 C ATOM 345 CD2 PHE A 22 20.505 -17.015 -16.155 1.00 0.00 C ATOM 346 CE1 PHE A 22 19.602 -17.232 -13.509 1.00 0.00 C ATOM 347 CE2 PHE A 22 21.378 -17.445 -15.148 1.00 0.00 C ATOM 348 CZ PHE A 22 20.929 -17.546 -13.824 1.00 0.00 C ATOM 0 H PHE A 22 16.768 -14.916 -18.491 1.00 0.00 H new ATOM 0 HA PHE A 22 17.698 -14.451 -15.790 1.00 0.00 H new ATOM 0 HB2 PHE A 22 17.282 -16.714 -16.818 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.639 -16.433 -17.889 1.00 0.00 H new ATOM 0 HD1 PHE A 22 17.705 -16.556 -14.272 1.00 0.00 H new ATOM 0 HD2 PHE A 22 20.852 -16.939 -17.175 1.00 0.00 H new ATOM 0 HE1 PHE A 22 19.252 -17.323 -12.491 1.00 0.00 H new ATOM 0 HE2 PHE A 22 22.399 -17.699 -15.392 1.00 0.00 H new ATOM 0 HZ PHE A 22 21.607 -17.866 -13.047 1.00 0.00 H new ATOM 358 N ASN A 23 19.519 -13.581 -18.386 1.00 0.00 N ATOM 359 CA ASN A 23 20.701 -12.824 -18.763 1.00 0.00 C ATOM 360 C ASN A 23 20.643 -11.430 -18.141 1.00 0.00 C ATOM 361 O ASN A 23 21.671 -10.874 -17.769 1.00 0.00 O ATOM 362 CB ASN A 23 20.774 -12.759 -20.289 1.00 0.00 C ATOM 363 CG ASN A 23 21.984 -11.966 -20.755 1.00 0.00 C ATOM 364 OD1 ASN A 23 23.041 -12.529 -21.022 1.00 0.00 O ATOM 365 ND2 ASN A 23 21.841 -10.647 -20.854 1.00 0.00 N ATOM 0 H ASN A 23 18.907 -13.824 -19.165 1.00 0.00 H new ATOM 0 HA ASN A 23 21.602 -13.311 -18.391 1.00 0.00 H new ATOM 0 HB2 ASN A 23 20.821 -13.769 -20.695 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.865 -12.301 -20.679 1.00 0.00 H new ATOM 0 HD21 ASN A 23 22.625 -10.071 -21.160 1.00 0.00 H new ATOM 0 HD22 ASN A 23 20.947 -10.212 -20.624 1.00 0.00 H new ATOM 372 N LEU A 24 19.438 -10.868 -18.022 1.00 0.00 N ATOM 373 CA LEU A 24 19.232 -9.575 -17.391 1.00 0.00 C ATOM 374 C LEU A 24 19.344 -9.710 -15.873 1.00 0.00 C ATOM 375 O LEU A 24 19.721 -8.756 -15.195 1.00 0.00 O ATOM 376 CB LEU A 24 17.854 -9.060 -17.808 1.00 0.00 C ATOM 377 CG LEU A 24 17.880 -8.267 -19.121 1.00 0.00 C ATOM 378 CD1 LEU A 24 18.796 -8.862 -20.193 1.00 0.00 C ATOM 379 CD2 LEU A 24 16.462 -8.225 -19.684 1.00 0.00 C ATOM 0 H LEU A 24 18.580 -11.302 -18.363 1.00 0.00 H new ATOM 0 HA LEU A 24 19.994 -8.863 -17.709 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.174 -9.905 -17.914 1.00 0.00 H new ATOM 0 HB3 LEU A 24 17.454 -8.427 -17.016 1.00 0.00 H new ATOM 0 HG LEU A 24 18.271 -7.278 -18.881 1.00 0.00 H new ATOM 0 HD11 LEU A 24 18.757 -8.243 -21.089 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.819 -8.896 -19.819 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.464 -9.872 -20.435 1.00 0.00 H new ATOM 0 HD21 LEU A 24 16.458 -7.665 -20.619 1.00 0.00 H new ATOM 0 HD22 LEU A 24 16.113 -9.241 -19.868 1.00 0.00 H new ATOM 0 HD23 LEU A 24 15.800 -7.739 -18.967 1.00 0.00 H new ATOM 391 N LEU A 25 19.020 -10.890 -15.338 1.00 0.00 N ATOM 392 CA LEU A 25 19.172 -11.182 -13.922 1.00 0.00 C ATOM 393 C LEU A 25 20.655 -11.342 -13.574 1.00 0.00 C ATOM 394 O LEU A 25 21.065 -11.043 -12.454 1.00 0.00 O ATOM 395 CB LEU A 25 18.362 -12.449 -13.625 1.00 0.00 C ATOM 396 CG LEU A 25 18.278 -12.805 -12.141 1.00 0.00 C ATOM 397 CD1 LEU A 25 17.522 -11.744 -11.344 1.00 0.00 C ATOM 398 CD2 LEU A 25 17.518 -14.124 -12.019 1.00 0.00 C ATOM 0 H LEU A 25 18.645 -11.667 -15.881 1.00 0.00 H new ATOM 0 HA LEU A 25 18.797 -10.366 -13.304 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.352 -12.321 -14.014 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.807 -13.286 -14.163 1.00 0.00 H new ATOM 0 HG LEU A 25 19.290 -12.874 -11.742 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.485 -12.035 -10.294 1.00 0.00 H new ATOM 0 HD12 LEU A 25 18.034 -10.786 -11.437 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.507 -11.653 -11.731 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.442 -14.404 -10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.518 -14.008 -12.437 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.051 -14.903 -12.565 1.00 0.00 H new ATOM 410 N VAL A 26 21.465 -11.811 -14.529 1.00 0.00 N ATOM 411 CA VAL A 26 22.905 -11.933 -14.343 1.00 0.00 C ATOM 412 C VAL A 26 23.541 -10.548 -14.345 1.00 0.00 C ATOM 413 O VAL A 26 24.357 -10.247 -13.479 1.00 0.00 O ATOM 414 CB VAL A 26 23.509 -12.799 -15.455 1.00 0.00 C ATOM 415 CG1 VAL A 26 25.038 -12.741 -15.428 1.00 0.00 C ATOM 416 CG2 VAL A 26 23.093 -14.258 -15.287 1.00 0.00 C ATOM 0 H VAL A 26 21.138 -12.114 -15.446 1.00 0.00 H new ATOM 0 HA VAL A 26 23.104 -12.413 -13.385 1.00 0.00 H new ATOM 0 HB VAL A 26 23.139 -12.407 -16.402 1.00 0.00 H new ATOM 0 HG11 VAL A 26 25.440 -13.364 -16.227 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.366 -11.711 -15.571 1.00 0.00 H new ATOM 0 HG13 VAL A 26 25.399 -13.106 -14.467 1.00 0.00 H new ATOM 0 HG21 VAL A 26 23.532 -14.856 -16.086 1.00 0.00 H new ATOM 0 HG22 VAL A 26 23.443 -14.627 -14.323 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.007 -14.334 -15.332 1.00 0.00 H new ATOM 426 N VAL A 27 23.170 -9.698 -15.306 1.00 0.00 N ATOM 427 CA VAL A 27 23.722 -8.349 -15.405 1.00 0.00 C ATOM 428 C VAL A 27 23.351 -7.527 -14.172 1.00 0.00 C ATOM 429 O VAL A 27 24.039 -6.561 -13.845 1.00 0.00 O ATOM 430 CB VAL A 27 23.214 -7.693 -16.698 1.00 0.00 C ATOM 431 CG1 VAL A 27 23.595 -6.215 -16.782 1.00 0.00 C ATOM 432 CG2 VAL A 27 23.835 -8.400 -17.905 1.00 0.00 C ATOM 0 H VAL A 27 22.486 -9.924 -16.029 1.00 0.00 H new ATOM 0 HA VAL A 27 24.810 -8.397 -15.443 1.00 0.00 H new ATOM 0 HB VAL A 27 22.127 -7.779 -16.696 1.00 0.00 H new ATOM 0 HG11 VAL A 27 23.215 -5.794 -17.713 1.00 0.00 H new ATOM 0 HG12 VAL A 27 23.162 -5.679 -15.937 1.00 0.00 H new ATOM 0 HG13 VAL A 27 24.680 -6.117 -16.756 1.00 0.00 H new ATOM 0 HG21 VAL A 27 23.475 -7.936 -18.823 1.00 0.00 H new ATOM 0 HG22 VAL A 27 24.921 -8.316 -17.857 1.00 0.00 H new ATOM 0 HG23 VAL A 27 23.552 -9.452 -17.896 1.00 0.00 H new ATOM 442 N ARG A 28 22.268 -7.901 -13.486 1.00 0.00 N ATOM 443 CA ARG A 28 21.802 -7.194 -12.302 1.00 0.00 C ATOM 444 C ARG A 28 22.700 -7.457 -11.095 1.00 0.00 C ATOM 445 O ARG A 28 22.922 -6.563 -10.283 1.00 0.00 O ATOM 446 CB ARG A 28 20.377 -7.667 -12.022 1.00 0.00 C ATOM 447 CG ARG A 28 19.671 -6.801 -10.980 1.00 0.00 C ATOM 448 CD ARG A 28 18.270 -7.369 -10.771 1.00 0.00 C ATOM 449 NE ARG A 28 17.417 -6.436 -10.027 1.00 0.00 N ATOM 450 CZ ARG A 28 16.140 -6.176 -10.322 1.00 0.00 C ATOM 451 NH1 ARG A 28 15.531 -6.783 -11.338 1.00 0.00 N ATOM 452 NH2 ARG A 28 15.458 -5.298 -9.595 1.00 0.00 N ATOM 0 H ARG A 28 21.693 -8.704 -13.740 1.00 0.00 H new ATOM 0 HA ARG A 28 21.830 -6.119 -12.480 1.00 0.00 H new ATOM 0 HB2 ARG A 28 19.804 -7.655 -12.949 1.00 0.00 H new ATOM 0 HB3 ARG A 28 20.401 -8.700 -11.676 1.00 0.00 H new ATOM 0 HG2 ARG A 28 20.227 -6.802 -10.043 1.00 0.00 H new ATOM 0 HG3 ARG A 28 19.617 -5.766 -11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.816 -7.586 -11.738 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.336 -8.313 -10.231 1.00 0.00 H new ATOM 0 HE ARG A 28 17.827 -5.952 -9.229 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.040 -7.460 -11.907 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.555 -6.571 -11.548 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.909 -4.823 -8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.483 -5.098 -9.819 1.00 0.00 H new ATOM 466 N TYR A 29 23.218 -8.684 -10.973 1.00 0.00 N ATOM 467 CA TYR A 29 24.016 -9.080 -9.822 1.00 0.00 C ATOM 468 C TYR A 29 25.477 -9.405 -10.132 1.00 0.00 C ATOM 469 O TYR A 29 26.217 -9.754 -9.217 1.00 0.00 O ATOM 470 CB TYR A 29 23.320 -10.245 -9.122 1.00 0.00 C ATOM 471 CG TYR A 29 21.968 -9.848 -8.577 1.00 0.00 C ATOM 472 CD1 TYR A 29 21.890 -8.901 -7.546 1.00 0.00 C ATOM 473 CD2 TYR A 29 20.798 -10.414 -9.104 1.00 0.00 C ATOM 474 CE1 TYR A 29 20.642 -8.487 -7.061 1.00 0.00 C ATOM 475 CE2 TYR A 29 19.548 -10.013 -8.616 1.00 0.00 C ATOM 476 CZ TYR A 29 19.465 -9.043 -7.596 1.00 0.00 C ATOM 477 OH TYR A 29 18.246 -8.646 -7.135 1.00 0.00 O ATOM 0 H TYR A 29 23.094 -9.421 -11.667 1.00 0.00 H new ATOM 0 HA TYR A 29 24.075 -8.214 -9.163 1.00 0.00 H new ATOM 0 HB2 TYR A 29 23.201 -11.071 -9.823 1.00 0.00 H new ATOM 0 HB3 TYR A 29 23.948 -10.607 -8.308 1.00 0.00 H new ATOM 0 HD1 TYR A 29 22.795 -8.489 -7.124 1.00 0.00 H new ATOM 0 HD2 TYR A 29 20.861 -11.158 -9.885 1.00 0.00 H new ATOM 0 HE1 TYR A 29 20.584 -7.744 -6.279 1.00 0.00 H new ATOM 0 HE2 TYR A 29 18.646 -10.447 -9.022 1.00 0.00 H new ATOM 0 HH TYR A 29 17.541 -9.130 -7.615 1.00 0.00 H new ATOM 487 N GLN A 30 25.915 -9.305 -11.391 1.00 0.00 N ATOM 488 CA GLN A 30 27.266 -9.722 -11.761 1.00 0.00 C ATOM 489 C GLN A 30 28.359 -8.946 -11.029 1.00 0.00 C ATOM 490 O GLN A 30 29.440 -9.489 -10.797 1.00 0.00 O ATOM 491 CB GLN A 30 27.460 -9.621 -13.276 1.00 0.00 C ATOM 492 CG GLN A 30 27.284 -8.190 -13.793 1.00 0.00 C ATOM 493 CD GLN A 30 27.457 -8.110 -15.305 1.00 0.00 C ATOM 494 OE1 GLN A 30 27.782 -9.092 -15.965 1.00 0.00 O ATOM 495 NE2 GLN A 30 27.240 -6.926 -15.871 1.00 0.00 N ATOM 0 H GLN A 30 25.357 -8.942 -12.164 1.00 0.00 H new ATOM 0 HA GLN A 30 27.365 -10.762 -11.450 1.00 0.00 H new ATOM 0 HB2 GLN A 30 28.456 -9.979 -13.537 1.00 0.00 H new ATOM 0 HB3 GLN A 30 26.746 -10.275 -13.775 1.00 0.00 H new ATOM 0 HG2 GLN A 30 26.294 -7.824 -13.520 1.00 0.00 H new ATOM 0 HG3 GLN A 30 28.010 -7.537 -13.309 1.00 0.00 H new ATOM 0 HE21 GLN A 30 26.971 -6.128 -15.296 1.00 0.00 H new ATOM 0 HE22 GLN A 30 27.343 -6.817 -16.880 1.00 0.00 H new ATOM 504 N HIS A 31 28.108 -7.689 -10.653 1.00 0.00 N ATOM 505 CA HIS A 31 29.098 -6.896 -9.938 1.00 0.00 C ATOM 506 C HIS A 31 29.006 -7.157 -8.438 1.00 0.00 C ATOM 507 O HIS A 31 29.993 -7.010 -7.717 1.00 0.00 O ATOM 508 CB HIS A 31 28.880 -5.416 -10.253 1.00 0.00 C ATOM 509 CG HIS A 31 27.554 -4.899 -9.758 1.00 0.00 C ATOM 510 ND1 HIS A 31 26.301 -5.297 -10.233 1.00 0.00 N ATOM 511 CD2 HIS A 31 27.387 -3.968 -8.773 1.00 0.00 C ATOM 512 CE1 HIS A 31 25.409 -4.586 -9.521 1.00 0.00 C ATOM 513 NE2 HIS A 31 26.031 -3.786 -8.637 1.00 0.00 N ATOM 0 H HIS A 31 27.229 -7.204 -10.834 1.00 0.00 H new ATOM 0 HA HIS A 31 30.099 -7.182 -10.262 1.00 0.00 H new ATOM 0 HB2 HIS A 31 29.683 -4.832 -9.803 1.00 0.00 H new ATOM 0 HB3 HIS A 31 28.943 -5.266 -11.331 1.00 0.00 H new ATOM 0 HD2 HIS A 31 28.166 -3.473 -8.212 1.00 0.00 H new ATOM 0 HE1 HIS A 31 24.338 -4.649 -9.643 1.00 0.00 H new ATOM 0 HE2 HIS A 31 25.575 -3.153 -7.979 1.00 0.00 H new ATOM 521 N LYS A 32 27.818 -7.548 -7.968 1.00 0.00 N ATOM 522 CA LYS A 32 27.564 -7.858 -6.570 1.00 0.00 C ATOM 523 C LYS A 32 28.186 -9.192 -6.191 1.00 0.00 C ATOM 524 O LYS A 32 28.803 -9.322 -5.137 1.00 0.00 O ATOM 525 CB LYS A 32 26.047 -7.872 -6.379 1.00 0.00 C ATOM 526 CG LYS A 32 25.608 -8.644 -5.143 1.00 0.00 C ATOM 527 CD LYS A 32 25.101 -10.033 -5.551 1.00 0.00 C ATOM 528 CE LYS A 32 24.924 -10.950 -4.342 1.00 0.00 C ATOM 529 NZ LYS A 32 26.176 -11.126 -3.582 1.00 0.00 N ATOM 0 H LYS A 32 26.997 -7.658 -8.563 1.00 0.00 H new ATOM 0 HA LYS A 32 28.017 -7.111 -5.919 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.686 -6.846 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.580 -8.312 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 32 26.442 -8.741 -4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 32 24.821 -8.098 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 32 24.150 -9.934 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 32 25.804 -10.485 -6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 32 24.158 -10.537 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 32 24.566 -11.923 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 26.346 -12.140 -3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 26.969 -10.723 -4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 26.097 -10.640 -2.666 1.00 0.00 H new ATOM 543 N VAL A 33 28.025 -10.193 -7.057 1.00 0.00 N ATOM 544 CA VAL A 33 28.532 -11.528 -6.790 1.00 0.00 C ATOM 545 C VAL A 33 30.044 -11.584 -6.972 1.00 0.00 C ATOM 546 O VAL A 33 30.712 -12.350 -6.281 1.00 0.00 O ATOM 547 CB VAL A 33 27.809 -12.535 -7.685 1.00 0.00 C ATOM 548 CG1 VAL A 33 28.189 -12.345 -9.143 1.00 0.00 C ATOM 549 CG2 VAL A 33 28.142 -13.962 -7.268 1.00 0.00 C ATOM 0 H VAL A 33 27.544 -10.098 -7.952 1.00 0.00 H new ATOM 0 HA VAL A 33 28.333 -11.789 -5.751 1.00 0.00 H new ATOM 0 HB VAL A 33 26.739 -12.361 -7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 33 27.659 -13.075 -9.755 1.00 0.00 H new ATOM 0 HG12 VAL A 33 27.917 -11.339 -9.462 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.264 -12.485 -9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 33 27.617 -14.663 -7.918 1.00 0.00 H new ATOM 0 HG22 VAL A 33 29.217 -14.124 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 33 27.831 -14.121 -6.236 1.00 0.00 H new ATOM 559 N ALA A 34 30.595 -10.782 -7.885 1.00 0.00 N ATOM 560 CA ALA A 34 32.033 -10.755 -8.083 1.00 0.00 C ATOM 561 C ALA A 34 32.726 -10.163 -6.860 1.00 0.00 C ATOM 562 O ALA A 34 33.873 -10.507 -6.574 1.00 0.00 O ATOM 563 CB ALA A 34 32.335 -9.943 -9.339 1.00 0.00 C ATOM 0 H ALA A 34 30.068 -10.151 -8.490 1.00 0.00 H new ATOM 0 HA ALA A 34 32.413 -11.768 -8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 34 33.412 -9.913 -9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 34 31.851 -10.408 -10.198 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.958 -8.928 -9.215 1.00 0.00 H new ATOM 569 N SER A 35 32.039 -9.280 -6.132 1.00 0.00 N ATOM 570 CA SER A 35 32.574 -8.676 -4.919 1.00 0.00 C ATOM 571 C SER A 35 32.445 -9.629 -3.735 1.00 0.00 C ATOM 572 O SER A 35 33.174 -9.495 -2.752 1.00 0.00 O ATOM 573 CB SER A 35 31.845 -7.364 -4.631 1.00 0.00 C ATOM 574 OG SER A 35 32.017 -6.459 -5.701 1.00 0.00 O ATOM 0 H SER A 35 31.098 -8.967 -6.370 1.00 0.00 H new ATOM 0 HA SER A 35 33.634 -8.470 -5.070 1.00 0.00 H new ATOM 0 HB2 SER A 35 30.783 -7.557 -4.477 1.00 0.00 H new ATOM 0 HB3 SER A 35 32.226 -6.924 -3.709 1.00 0.00 H new ATOM 0 HG SER A 35 31.352 -6.645 -6.397 1.00 0.00 H new ATOM 580 N LEU A 36 31.520 -10.593 -3.820 1.00 0.00 N ATOM 581 CA LEU A 36 31.315 -11.573 -2.767 1.00 0.00 C ATOM 582 C LEU A 36 32.291 -12.741 -2.889 1.00 0.00 C ATOM 583 O LEU A 36 32.805 -13.213 -1.874 1.00 0.00 O ATOM 584 CB LEU A 36 29.865 -12.065 -2.837 1.00 0.00 C ATOM 585 CG LEU A 36 29.567 -13.194 -1.843 1.00 0.00 C ATOM 586 CD1 LEU A 36 29.722 -12.743 -0.392 1.00 0.00 C ATOM 587 CD2 LEU A 36 28.124 -13.640 -2.051 1.00 0.00 C ATOM 0 H LEU A 36 30.899 -10.708 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 36 31.503 -11.105 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 36 29.194 -11.229 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 36 29.654 -12.413 -3.848 1.00 0.00 H new ATOM 0 HG LEU A 36 30.277 -14.001 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 36 29.500 -13.577 0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 36 30.745 -12.406 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 36 29.032 -11.924 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 36 27.888 -14.444 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 36 27.454 -12.798 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 36 27.997 -13.997 -3.073 1.00 0.00 H new ATOM 599 N VAL A 37 32.563 -13.222 -4.108 1.00 0.00 N ATOM 600 CA VAL A 37 33.457 -14.360 -4.270 1.00 0.00 C ATOM 601 C VAL A 37 34.917 -13.926 -4.208 1.00 0.00 C ATOM 602 O VAL A 37 35.784 -14.746 -3.911 1.00 0.00 O ATOM 603 CB VAL A 37 33.162 -15.144 -5.549 1.00 0.00 C ATOM 604 CG1 VAL A 37 31.689 -15.547 -5.622 1.00 0.00 C ATOM 605 CG2 VAL A 37 33.533 -14.357 -6.803 1.00 0.00 C ATOM 0 H VAL A 37 32.183 -12.846 -4.977 1.00 0.00 H new ATOM 0 HA VAL A 37 33.273 -15.035 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 37 33.780 -16.041 -5.511 1.00 0.00 H new ATOM 0 HG11 VAL A 37 31.509 -16.103 -6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 37 31.440 -16.173 -4.765 1.00 0.00 H new ATOM 0 HG13 VAL A 37 31.066 -14.653 -5.611 1.00 0.00 H new ATOM 0 HG21 VAL A 37 33.306 -14.953 -7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 37 32.960 -13.430 -6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 37 34.598 -14.125 -6.785 1.00 0.00 H new ATOM 615 N SER A 38 35.208 -12.648 -4.478 1.00 0.00 N ATOM 616 CA SER A 38 36.564 -12.121 -4.356 1.00 0.00 C ATOM 617 C SER A 38 37.076 -12.245 -2.922 1.00 0.00 C ATOM 618 O SER A 38 38.276 -12.128 -2.682 1.00 0.00 O ATOM 619 CB SER A 38 36.614 -10.661 -4.807 1.00 0.00 C ATOM 620 OG SER A 38 36.447 -10.567 -6.204 1.00 0.00 O ATOM 0 H SER A 38 34.518 -11.962 -4.783 1.00 0.00 H new ATOM 0 HA SER A 38 37.212 -12.713 -5.003 1.00 0.00 H new ATOM 0 HB2 SER A 38 35.833 -10.092 -4.303 1.00 0.00 H new ATOM 0 HB3 SER A 38 37.567 -10.218 -4.519 1.00 0.00 H new ATOM 0 HG SER A 38 35.503 -10.702 -6.430 1.00 0.00 H new ATOM 626 N ARG A 39 36.174 -12.482 -1.966 1.00 0.00 N ATOM 627 CA ARG A 39 36.520 -12.639 -0.561 1.00 0.00 C ATOM 628 C ARG A 39 37.054 -14.042 -0.274 1.00 0.00 C ATOM 629 O ARG A 39 37.569 -14.281 0.817 1.00 0.00 O ATOM 630 CB ARG A 39 35.280 -12.362 0.294 1.00 0.00 C ATOM 631 CG ARG A 39 34.650 -11.011 -0.045 1.00 0.00 C ATOM 632 CD ARG A 39 33.403 -10.786 0.808 1.00 0.00 C ATOM 633 NE ARG A 39 32.708 -9.561 0.407 1.00 0.00 N ATOM 634 CZ ARG A 39 31.628 -9.079 1.025 1.00 0.00 C ATOM 635 NH1 ARG A 39 31.105 -9.706 2.075 1.00 0.00 N ATOM 636 NH2 ARG A 39 31.059 -7.957 0.590 1.00 0.00 N ATOM 0 H ARG A 39 35.175 -12.570 -2.153 1.00 0.00 H new ATOM 0 HA ARG A 39 37.308 -11.928 -0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 39 34.547 -13.154 0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 39 35.554 -12.382 1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 39 35.369 -10.211 0.130 1.00 0.00 H new ATOM 0 HG3 ARG A 39 34.388 -10.978 -1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 39 32.731 -11.639 0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 39 33.684 -10.722 1.859 1.00 0.00 H new ATOM 0 HE ARG A 39 33.072 -9.044 -0.394 1.00 0.00 H new ATOM 0 HH11 ARG A 39 31.530 -10.567 2.418 1.00 0.00 H new ATOM 0 HH12 ARG A 39 30.279 -9.325 2.537 1.00 0.00 H new ATOM 0 HH21 ARG A 39 31.449 -7.467 -0.215 1.00 0.00 H new ATOM 0 HH22 ARG A 39 30.233 -7.588 1.062 1.00 0.00 H new ATOM 650 N TYR A 40 36.934 -14.967 -1.234 1.00 0.00 N ATOM 651 CA TYR A 40 37.335 -16.352 -1.041 1.00 0.00 C ATOM 652 C TYR A 40 38.301 -16.853 -2.120 1.00 0.00 C ATOM 653 O TYR A 40 38.977 -17.857 -1.909 1.00 0.00 O ATOM 654 CB TYR A 40 36.082 -17.223 -0.965 1.00 0.00 C ATOM 655 CG TYR A 40 35.051 -16.719 0.024 1.00 0.00 C ATOM 656 CD1 TYR A 40 35.240 -16.922 1.399 1.00 0.00 C ATOM 657 CD2 TYR A 40 33.910 -16.041 -0.436 1.00 0.00 C ATOM 658 CE1 TYR A 40 34.293 -16.447 2.318 1.00 0.00 C ATOM 659 CE2 TYR A 40 32.959 -15.561 0.477 1.00 0.00 C ATOM 660 CZ TYR A 40 33.152 -15.758 1.860 1.00 0.00 C ATOM 661 OH TYR A 40 32.232 -15.290 2.749 1.00 0.00 O ATOM 0 H TYR A 40 36.557 -14.770 -2.161 1.00 0.00 H new ATOM 0 HA TYR A 40 37.889 -16.418 -0.104 1.00 0.00 H new ATOM 0 HB2 TYR A 40 35.628 -17.278 -1.954 1.00 0.00 H new ATOM 0 HB3 TYR A 40 36.371 -18.237 -0.690 1.00 0.00 H new ATOM 0 HD1 TYR A 40 36.117 -17.445 1.751 1.00 0.00 H new ATOM 0 HD2 TYR A 40 33.764 -15.889 -1.495 1.00 0.00 H new ATOM 0 HE1 TYR A 40 34.438 -16.609 3.376 1.00 0.00 H new ATOM 0 HE2 TYR A 40 32.081 -15.042 0.122 1.00 0.00 H new ATOM 0 HH TYR A 40 31.509 -14.839 2.265 1.00 0.00 H new ATOM 671 N VAL A 41 38.382 -16.173 -3.269 1.00 0.00 N ATOM 672 CA VAL A 41 39.307 -16.544 -4.337 1.00 0.00 C ATOM 673 C VAL A 41 40.054 -15.315 -4.853 1.00 0.00 C ATOM 674 O VAL A 41 39.549 -14.197 -4.759 1.00 0.00 O ATOM 675 CB VAL A 41 38.590 -17.246 -5.497 1.00 0.00 C ATOM 676 CG1 VAL A 41 38.227 -18.679 -5.124 1.00 0.00 C ATOM 677 CG2 VAL A 41 37.324 -16.515 -5.939 1.00 0.00 C ATOM 0 H VAL A 41 37.810 -15.355 -3.481 1.00 0.00 H new ATOM 0 HA VAL A 41 40.023 -17.247 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 41 39.292 -17.242 -6.331 1.00 0.00 H new ATOM 0 HG11 VAL A 41 37.720 -19.156 -5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 41 39.134 -19.234 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 41 37.567 -18.673 -4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 41 36.859 -17.058 -6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 41 36.627 -16.457 -5.103 1.00 0.00 H new ATOM 0 HG23 VAL A 41 37.581 -15.508 -6.267 1.00 0.00 H new ATOM 687 N PRO A 42 41.260 -15.510 -5.402 1.00 0.00 N ATOM 688 CA PRO A 42 42.057 -14.447 -5.989 1.00 0.00 C ATOM 689 C PRO A 42 41.413 -13.977 -7.289 1.00 0.00 C ATOM 690 O PRO A 42 40.601 -14.692 -7.872 1.00 0.00 O ATOM 691 CB PRO A 42 43.435 -15.062 -6.231 1.00 0.00 C ATOM 692 CG PRO A 42 43.112 -16.535 -6.474 1.00 0.00 C ATOM 693 CD PRO A 42 41.953 -16.784 -5.510 1.00 0.00 C ATOM 0 HA PRO A 42 42.131 -13.570 -5.345 1.00 0.00 H new ATOM 0 HB2 PRO A 42 43.934 -14.611 -7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 42 44.093 -14.929 -5.373 1.00 0.00 H new ATOM 0 HG2 PRO A 42 42.826 -16.722 -7.509 1.00 0.00 H new ATOM 0 HG3 PRO A 42 43.965 -17.178 -6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 42 41.289 -17.562 -5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 42 42.315 -17.118 -4.538 1.00 0.00 H new ATOM 701 N SER A 43 41.778 -12.777 -7.746 1.00 0.00 N ATOM 702 CA SER A 43 41.167 -12.151 -8.911 1.00 0.00 C ATOM 703 C SER A 43 41.309 -12.996 -10.177 1.00 0.00 C ATOM 704 O SER A 43 40.577 -12.779 -11.143 1.00 0.00 O ATOM 705 CB SER A 43 41.812 -10.783 -9.129 1.00 0.00 C ATOM 706 OG SER A 43 43.196 -10.940 -9.364 1.00 0.00 O ATOM 0 H SER A 43 42.510 -12.213 -7.313 1.00 0.00 H new ATOM 0 HA SER A 43 40.099 -12.051 -8.715 1.00 0.00 H new ATOM 0 HB2 SER A 43 41.344 -10.281 -9.976 1.00 0.00 H new ATOM 0 HB3 SER A 43 41.651 -10.151 -8.255 1.00 0.00 H new ATOM 0 HG SER A 43 43.606 -10.061 -9.505 1.00 0.00 H new ATOM 712 N GLY A 44 42.237 -13.955 -10.180 1.00 0.00 N ATOM 713 CA GLY A 44 42.447 -14.828 -11.322 1.00 0.00 C ATOM 714 C GLY A 44 41.370 -15.909 -11.440 1.00 0.00 C ATOM 715 O GLY A 44 41.259 -16.537 -12.493 1.00 0.00 O ATOM 0 H GLY A 44 42.858 -14.143 -9.393 1.00 0.00 H new ATOM 0 HA2 GLY A 44 42.459 -14.231 -12.234 1.00 0.00 H new ATOM 0 HA3 GLY A 44 43.425 -15.302 -11.238 1.00 0.00 H new ATOM 719 N ASP A 45 40.581 -16.133 -10.385 1.00 0.00 N ATOM 720 CA ASP A 45 39.541 -17.157 -10.381 1.00 0.00 C ATOM 721 C ASP A 45 38.144 -16.565 -10.177 1.00 0.00 C ATOM 722 O ASP A 45 37.152 -17.284 -10.288 1.00 0.00 O ATOM 723 CB ASP A 45 39.857 -18.191 -9.300 1.00 0.00 C ATOM 724 CG ASP A 45 41.173 -18.917 -9.580 1.00 0.00 C ATOM 725 OD1 ASP A 45 41.361 -19.360 -10.736 1.00 0.00 O ATOM 726 OD2 ASP A 45 41.983 -19.029 -8.634 1.00 0.00 O ATOM 0 H ASP A 45 40.648 -15.609 -9.513 1.00 0.00 H new ATOM 0 HA ASP A 45 39.533 -17.638 -11.359 1.00 0.00 H new ATOM 0 HB2 ASP A 45 39.913 -17.698 -8.330 1.00 0.00 H new ATOM 0 HB3 ASP A 45 39.046 -18.917 -9.242 1.00 0.00 H new ATOM 731 N VAL A 46 38.041 -15.267 -9.880 1.00 0.00 N ATOM 732 CA VAL A 46 36.755 -14.616 -9.649 1.00 0.00 C ATOM 733 C VAL A 46 35.801 -14.800 -10.831 1.00 0.00 C ATOM 734 O VAL A 46 34.669 -15.223 -10.606 1.00 0.00 O ATOM 735 CB VAL A 46 36.969 -13.130 -9.331 1.00 0.00 C ATOM 736 CG1 VAL A 46 35.654 -12.359 -9.260 1.00 0.00 C ATOM 737 CG2 VAL A 46 37.652 -12.991 -7.974 1.00 0.00 C ATOM 0 H VAL A 46 38.844 -14.643 -9.794 1.00 0.00 H new ATOM 0 HA VAL A 46 36.284 -15.093 -8.790 1.00 0.00 H new ATOM 0 HB VAL A 46 37.580 -12.720 -10.135 1.00 0.00 H new ATOM 0 HG11 VAL A 46 35.858 -11.313 -9.033 1.00 0.00 H new ATOM 0 HG12 VAL A 46 35.139 -12.429 -10.218 1.00 0.00 H new ATOM 0 HG13 VAL A 46 35.025 -12.784 -8.478 1.00 0.00 H new ATOM 0 HG21 VAL A 46 37.803 -11.935 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 46 37.025 -13.440 -7.203 1.00 0.00 H new ATOM 0 HG23 VAL A 46 38.616 -13.499 -7.998 1.00 0.00 H new ATOM 747 N PRO A 47 36.190 -14.505 -12.080 1.00 0.00 N ATOM 748 CA PRO A 47 35.257 -14.554 -13.196 1.00 0.00 C ATOM 749 C PRO A 47 34.771 -15.975 -13.482 1.00 0.00 C ATOM 750 O PRO A 47 33.694 -16.151 -14.044 1.00 0.00 O ATOM 751 CB PRO A 47 36.024 -13.966 -14.382 1.00 0.00 C ATOM 752 CG PRO A 47 37.483 -14.264 -14.041 1.00 0.00 C ATOM 753 CD PRO A 47 37.509 -14.097 -12.529 1.00 0.00 C ATOM 0 HA PRO A 47 34.349 -13.991 -12.981 1.00 0.00 H new ATOM 0 HB2 PRO A 47 35.728 -14.431 -15.322 1.00 0.00 H new ATOM 0 HB3 PRO A 47 35.846 -12.896 -14.485 1.00 0.00 H new ATOM 0 HG2 PRO A 47 37.773 -15.270 -14.343 1.00 0.00 H new ATOM 0 HG3 PRO A 47 38.165 -13.573 -14.537 1.00 0.00 H new ATOM 0 HD2 PRO A 47 38.287 -14.713 -12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 47 37.718 -13.064 -12.250 1.00 0.00 H new ATOM 761 N ASP A 48 35.547 -16.995 -13.104 1.00 0.00 N ATOM 762 CA ASP A 48 35.154 -18.378 -13.333 1.00 0.00 C ATOM 763 C ASP A 48 34.260 -18.885 -12.208 1.00 0.00 C ATOM 764 O ASP A 48 33.392 -19.728 -12.433 1.00 0.00 O ATOM 765 CB ASP A 48 36.409 -19.241 -13.463 1.00 0.00 C ATOM 766 CG ASP A 48 37.229 -18.846 -14.689 1.00 0.00 C ATOM 767 OD1 ASP A 48 36.837 -19.255 -15.804 1.00 0.00 O ATOM 768 OD2 ASP A 48 38.244 -18.138 -14.500 1.00 0.00 O ATOM 0 H ASP A 48 36.448 -16.884 -12.639 1.00 0.00 H new ATOM 0 HA ASP A 48 34.579 -18.438 -14.257 1.00 0.00 H new ATOM 0 HB2 ASP A 48 37.019 -19.137 -12.566 1.00 0.00 H new ATOM 0 HB3 ASP A 48 36.125 -20.291 -13.535 1.00 0.00 H new ATOM 773 N VAL A 49 34.461 -18.378 -10.988 1.00 0.00 N ATOM 774 CA VAL A 49 33.647 -18.756 -9.844 1.00 0.00 C ATOM 775 C VAL A 49 32.310 -18.016 -9.885 1.00 0.00 C ATOM 776 O VAL A 49 31.305 -18.531 -9.394 1.00 0.00 O ATOM 777 CB VAL A 49 34.434 -18.463 -8.559 1.00 0.00 C ATOM 778 CG1 VAL A 49 33.579 -18.634 -7.310 1.00 0.00 C ATOM 779 CG2 VAL A 49 35.610 -19.433 -8.451 1.00 0.00 C ATOM 0 H VAL A 49 35.190 -17.698 -10.773 1.00 0.00 H new ATOM 0 HA VAL A 49 33.421 -19.822 -9.871 1.00 0.00 H new ATOM 0 HB VAL A 49 34.770 -17.428 -8.618 1.00 0.00 H new ATOM 0 HG11 VAL A 49 34.178 -18.416 -6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 49 32.732 -17.949 -7.352 1.00 0.00 H new ATOM 0 HG13 VAL A 49 33.214 -19.660 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 49 36.170 -19.226 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 49 35.236 -20.456 -8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 49 36.264 -19.309 -9.314 1.00 0.00 H new ATOM 789 N VAL A 50 32.286 -16.817 -10.471 1.00 0.00 N ATOM 790 CA VAL A 50 31.045 -16.086 -10.675 1.00 0.00 C ATOM 791 C VAL A 50 30.228 -16.770 -11.765 1.00 0.00 C ATOM 792 O VAL A 50 28.998 -16.774 -11.715 1.00 0.00 O ATOM 793 CB VAL A 50 31.363 -14.646 -11.095 1.00 0.00 C ATOM 794 CG1 VAL A 50 30.107 -13.931 -11.590 1.00 0.00 C ATOM 795 CG2 VAL A 50 31.927 -13.865 -9.908 1.00 0.00 C ATOM 0 H VAL A 50 33.118 -16.335 -10.812 1.00 0.00 H new ATOM 0 HA VAL A 50 30.472 -16.073 -9.748 1.00 0.00 H new ATOM 0 HB VAL A 50 32.096 -14.690 -11.901 1.00 0.00 H new ATOM 0 HG11 VAL A 50 30.360 -12.912 -11.882 1.00 0.00 H new ATOM 0 HG12 VAL A 50 29.700 -14.464 -12.449 1.00 0.00 H new ATOM 0 HG13 VAL A 50 29.364 -13.907 -10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 50 32.149 -12.844 -10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 50 31.194 -13.849 -9.102 1.00 0.00 H new ATOM 0 HG23 VAL A 50 32.841 -14.345 -9.558 1.00 0.00 H new ATOM 805 N GLN A 51 30.910 -17.351 -12.756 1.00 0.00 N ATOM 806 CA GLN A 51 30.240 -17.970 -13.884 1.00 0.00 C ATOM 807 C GLN A 51 29.580 -19.284 -13.475 1.00 0.00 C ATOM 808 O GLN A 51 28.583 -19.677 -14.074 1.00 0.00 O ATOM 809 CB GLN A 51 31.265 -18.163 -15.000 1.00 0.00 C ATOM 810 CG GLN A 51 30.585 -18.410 -16.346 1.00 0.00 C ATOM 811 CD GLN A 51 31.597 -18.284 -17.476 1.00 0.00 C ATOM 812 OE1 GLN A 51 31.796 -19.214 -18.253 1.00 0.00 O ATOM 813 NE2 GLN A 51 32.247 -17.124 -17.574 1.00 0.00 N ATOM 0 H GLN A 51 31.928 -17.401 -12.792 1.00 0.00 H new ATOM 0 HA GLN A 51 29.437 -17.327 -14.245 1.00 0.00 H new ATOM 0 HB2 GLN A 51 31.901 -17.280 -15.069 1.00 0.00 H new ATOM 0 HB3 GLN A 51 31.914 -19.005 -14.759 1.00 0.00 H new ATOM 0 HG2 GLN A 51 30.137 -19.403 -16.358 1.00 0.00 H new ATOM 0 HG3 GLN A 51 29.776 -17.693 -16.490 1.00 0.00 H new ATOM 0 HE21 GLN A 51 32.055 -16.374 -16.910 1.00 0.00 H new ATOM 0 HE22 GLN A 51 32.936 -16.987 -18.313 1.00 0.00 H new ATOM 822 N GLU A 52 30.109 -19.971 -12.460 1.00 0.00 N ATOM 823 CA GLU A 52 29.465 -21.174 -11.956 1.00 0.00 C ATOM 824 C GLU A 52 28.343 -20.804 -10.989 1.00 0.00 C ATOM 825 O GLU A 52 27.386 -21.559 -10.843 1.00 0.00 O ATOM 826 CB GLU A 52 30.515 -22.051 -11.277 1.00 0.00 C ATOM 827 CG GLU A 52 29.908 -23.363 -10.766 1.00 0.00 C ATOM 828 CD GLU A 52 29.294 -24.200 -11.889 1.00 0.00 C ATOM 829 OE1 GLU A 52 29.948 -24.317 -12.950 1.00 0.00 O ATOM 830 OE2 GLU A 52 28.174 -24.715 -11.679 1.00 0.00 O ATOM 0 H GLU A 52 30.971 -19.715 -11.979 1.00 0.00 H new ATOM 0 HA GLU A 52 29.020 -21.732 -12.780 1.00 0.00 H new ATOM 0 HB2 GLU A 52 31.317 -22.270 -11.981 1.00 0.00 H new ATOM 0 HB3 GLU A 52 30.961 -21.507 -10.444 1.00 0.00 H new ATOM 0 HG2 GLU A 52 30.680 -23.946 -10.263 1.00 0.00 H new ATOM 0 HG3 GLU A 52 29.142 -23.140 -10.023 1.00 0.00 H new ATOM 837 N ALA A 53 28.438 -19.645 -10.329 1.00 0.00 N ATOM 838 CA ALA A 53 27.430 -19.241 -9.361 1.00 0.00 C ATOM 839 C ALA A 53 26.097 -18.938 -10.047 1.00 0.00 C ATOM 840 O ALA A 53 25.037 -19.204 -9.481 1.00 0.00 O ATOM 841 CB ALA A 53 27.943 -18.030 -8.577 1.00 0.00 C ATOM 0 H ALA A 53 29.200 -18.978 -10.451 1.00 0.00 H new ATOM 0 HA ALA A 53 27.250 -20.062 -8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 53 27.192 -17.722 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 53 28.863 -18.296 -8.057 1.00 0.00 H new ATOM 0 HB3 ALA A 53 28.140 -17.208 -9.265 1.00 0.00 H new ATOM 847 N PHE A 54 26.131 -18.387 -11.267 1.00 0.00 N ATOM 848 CA PHE A 54 24.906 -18.121 -12.007 1.00 0.00 C ATOM 849 C PHE A 54 24.436 -19.357 -12.768 1.00 0.00 C ATOM 850 O PHE A 54 23.232 -19.573 -12.887 1.00 0.00 O ATOM 851 CB PHE A 54 25.114 -16.950 -12.964 1.00 0.00 C ATOM 852 CG PHE A 54 25.171 -15.593 -12.295 1.00 0.00 C ATOM 853 CD1 PHE A 54 24.091 -15.140 -11.521 1.00 0.00 C ATOM 854 CD2 PHE A 54 26.297 -14.781 -12.461 1.00 0.00 C ATOM 855 CE1 PHE A 54 24.140 -13.873 -10.922 1.00 0.00 C ATOM 856 CE2 PHE A 54 26.341 -13.510 -11.868 1.00 0.00 C ATOM 857 CZ PHE A 54 25.262 -13.057 -11.097 1.00 0.00 C ATOM 0 H PHE A 54 26.988 -18.121 -11.753 1.00 0.00 H new ATOM 0 HA PHE A 54 24.128 -17.859 -11.290 1.00 0.00 H new ATOM 0 HB2 PHE A 54 26.041 -17.108 -13.515 1.00 0.00 H new ATOM 0 HB3 PHE A 54 24.305 -16.947 -13.695 1.00 0.00 H new ATOM 0 HD1 PHE A 54 23.222 -15.767 -11.387 1.00 0.00 H new ATOM 0 HD2 PHE A 54 27.134 -15.132 -13.046 1.00 0.00 H new ATOM 0 HE1 PHE A 54 23.310 -13.527 -10.324 1.00 0.00 H new ATOM 0 HE2 PHE A 54 27.207 -12.880 -12.006 1.00 0.00 H new ATOM 0 HZ PHE A 54 25.297 -12.080 -10.639 1.00 0.00 H new ATOM 867 N ILE A 55 25.353 -20.176 -13.285 1.00 0.00 N ATOM 868 CA ILE A 55 24.958 -21.369 -14.018 1.00 0.00 C ATOM 869 C ILE A 55 24.429 -22.426 -13.054 1.00 0.00 C ATOM 870 O ILE A 55 23.571 -23.219 -13.435 1.00 0.00 O ATOM 871 CB ILE A 55 26.139 -21.859 -14.871 1.00 0.00 C ATOM 872 CG1 ILE A 55 26.127 -21.187 -16.252 1.00 0.00 C ATOM 873 CG2 ILE A 55 26.074 -23.370 -15.097 1.00 0.00 C ATOM 874 CD1 ILE A 55 26.033 -19.665 -16.204 1.00 0.00 C ATOM 0 H ILE A 55 26.360 -20.034 -13.209 1.00 0.00 H new ATOM 0 HA ILE A 55 24.141 -21.143 -14.703 1.00 0.00 H new ATOM 0 HB ILE A 55 27.047 -21.602 -14.325 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.033 -21.467 -16.788 1.00 0.00 H new ATOM 0 HG13 ILE A 55 25.285 -21.574 -16.825 1.00 0.00 H new ATOM 0 HG21 ILE A 55 26.923 -23.684 -15.704 1.00 0.00 H new ATOM 0 HG22 ILE A 55 26.105 -23.883 -14.136 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.147 -23.621 -15.613 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.030 -19.268 -17.219 1.00 0.00 H new ATOM 0 HD12 ILE A 55 25.113 -19.373 -15.698 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.889 -19.265 -15.661 1.00 0.00 H new ATOM 886 N LYS A 56 24.920 -22.452 -11.809 1.00 0.00 N ATOM 887 CA LYS A 56 24.395 -23.359 -10.799 1.00 0.00 C ATOM 888 C LYS A 56 23.027 -22.873 -10.343 1.00 0.00 C ATOM 889 O LYS A 56 22.158 -23.682 -10.022 1.00 0.00 O ATOM 890 CB LYS A 56 25.380 -23.447 -9.630 1.00 0.00 C ATOM 891 CG LYS A 56 24.928 -24.443 -8.558 1.00 0.00 C ATOM 892 CD LYS A 56 24.741 -25.854 -9.115 1.00 0.00 C ATOM 893 CE LYS A 56 24.351 -26.785 -7.968 1.00 0.00 C ATOM 894 NZ LYS A 56 24.139 -28.168 -8.439 1.00 0.00 N ATOM 0 H LYS A 56 25.679 -21.853 -11.484 1.00 0.00 H new ATOM 0 HA LYS A 56 24.276 -24.359 -11.216 1.00 0.00 H new ATOM 0 HB2 LYS A 56 26.360 -23.742 -10.006 1.00 0.00 H new ATOM 0 HB3 LYS A 56 25.495 -22.461 -9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 56 25.664 -24.467 -7.755 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.990 -24.101 -8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 56 23.969 -25.857 -9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 56 25.661 -26.199 -9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 56 25.133 -26.775 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 56 23.441 -26.418 -7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.876 -28.772 -7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.376 -28.181 -9.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 25.015 -28.527 -8.869 1.00 0.00 H new ATOM 908 N ALA A 57 22.830 -21.551 -10.318 1.00 0.00 N ATOM 909 CA ALA A 57 21.539 -20.982 -9.967 1.00 0.00 C ATOM 910 C ALA A 57 20.540 -21.182 -11.104 1.00 0.00 C ATOM 911 O ALA A 57 19.352 -21.339 -10.846 1.00 0.00 O ATOM 912 CB ALA A 57 21.716 -19.496 -9.662 1.00 0.00 C ATOM 0 H ALA A 57 23.550 -20.862 -10.537 1.00 0.00 H new ATOM 0 HA ALA A 57 21.147 -21.488 -9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 57 20.752 -19.061 -9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 57 22.409 -19.376 -8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 57 22.114 -18.989 -10.541 1.00 0.00 H new ATOM 918 N TYR A 58 20.998 -21.183 -12.358 1.00 0.00 N ATOM 919 CA TYR A 58 20.110 -21.305 -13.505 1.00 0.00 C ATOM 920 C TYR A 58 19.416 -22.664 -13.530 1.00 0.00 C ATOM 921 O TYR A 58 18.243 -22.751 -13.890 1.00 0.00 O ATOM 922 CB TYR A 58 20.928 -21.108 -14.780 1.00 0.00 C ATOM 923 CG TYR A 58 20.116 -21.237 -16.043 1.00 0.00 C ATOM 924 CD1 TYR A 58 19.208 -20.229 -16.401 1.00 0.00 C ATOM 925 CD2 TYR A 58 20.273 -22.368 -16.855 1.00 0.00 C ATOM 926 CE1 TYR A 58 18.456 -20.347 -17.578 1.00 0.00 C ATOM 927 CE2 TYR A 58 19.526 -22.493 -18.035 1.00 0.00 C ATOM 928 CZ TYR A 58 18.615 -21.482 -18.400 1.00 0.00 C ATOM 929 OH TYR A 58 17.886 -21.598 -19.547 1.00 0.00 O ATOM 0 H TYR A 58 21.985 -21.100 -12.600 1.00 0.00 H new ATOM 0 HA TYR A 58 19.334 -20.543 -13.434 1.00 0.00 H new ATOM 0 HB2 TYR A 58 21.392 -20.122 -14.755 1.00 0.00 H new ATOM 0 HB3 TYR A 58 21.735 -21.840 -14.801 1.00 0.00 H new ATOM 0 HD1 TYR A 58 19.088 -19.361 -15.769 1.00 0.00 H new ATOM 0 HD2 TYR A 58 20.969 -23.143 -16.572 1.00 0.00 H new ATOM 0 HE1 TYR A 58 17.757 -19.571 -17.855 1.00 0.00 H new ATOM 0 HE2 TYR A 58 19.649 -23.363 -18.663 1.00 0.00 H new ATOM 0 HH TYR A 58 18.116 -22.438 -19.997 1.00 0.00 H new ATOM 939 N ARG A 59 20.139 -23.725 -13.152 1.00 0.00 N ATOM 940 CA ARG A 59 19.601 -25.081 -13.125 1.00 0.00 C ATOM 941 C ARG A 59 19.010 -25.455 -11.768 1.00 0.00 C ATOM 942 O ARG A 59 18.430 -26.532 -11.631 1.00 0.00 O ATOM 943 CB ARG A 59 20.664 -26.069 -13.603 1.00 0.00 C ATOM 944 CG ARG A 59 21.941 -26.034 -12.756 1.00 0.00 C ATOM 945 CD ARG A 59 23.041 -26.797 -13.497 1.00 0.00 C ATOM 946 NE ARG A 59 24.375 -26.517 -12.944 1.00 0.00 N ATOM 947 CZ ARG A 59 25.459 -27.246 -13.223 1.00 0.00 C ATOM 948 NH1 ARG A 59 25.369 -28.322 -14.001 1.00 0.00 N ATOM 949 NH2 ARG A 59 26.645 -26.901 -12.729 1.00 0.00 N ATOM 0 H ARG A 59 21.113 -23.662 -12.857 1.00 0.00 H new ATOM 0 HA ARG A 59 18.760 -25.128 -13.817 1.00 0.00 H new ATOM 0 HB2 ARG A 59 20.250 -27.077 -13.584 1.00 0.00 H new ATOM 0 HB3 ARG A 59 20.917 -25.848 -14.640 1.00 0.00 H new ATOM 0 HG2 ARG A 59 22.249 -25.004 -12.579 1.00 0.00 H new ATOM 0 HG3 ARG A 59 21.760 -26.485 -11.780 1.00 0.00 H new ATOM 0 HD2 ARG A 59 22.842 -27.867 -13.439 1.00 0.00 H new ATOM 0 HD3 ARG A 59 23.022 -26.526 -14.553 1.00 0.00 H new ATOM 0 HE ARG A 59 24.478 -25.722 -12.313 1.00 0.00 H new ATOM 0 HH11 ARG A 59 24.467 -28.596 -14.390 1.00 0.00 H new ATOM 0 HH12 ARG A 59 26.202 -28.872 -14.208 1.00 0.00 H new ATOM 0 HH21 ARG A 59 26.730 -26.077 -12.134 1.00 0.00 H new ATOM 0 HH22 ARG A 59 27.470 -27.461 -12.945 1.00 0.00 H new ATOM 963 N ALA A 60 19.151 -24.580 -10.769 1.00 0.00 N ATOM 964 CA ALA A 60 18.555 -24.799 -9.458 1.00 0.00 C ATOM 965 C ALA A 60 17.387 -23.839 -9.194 1.00 0.00 C ATOM 966 O ALA A 60 16.677 -23.988 -8.200 1.00 0.00 O ATOM 967 CB ALA A 60 19.632 -24.663 -8.385 1.00 0.00 C ATOM 0 H ALA A 60 19.677 -23.710 -10.849 1.00 0.00 H new ATOM 0 HA ALA A 60 18.143 -25.808 -9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 60 19.189 -24.826 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 60 20.414 -25.403 -8.558 1.00 0.00 H new ATOM 0 HB3 ALA A 60 20.063 -23.663 -8.427 1.00 0.00 H new ATOM 973 N LEU A 61 17.177 -22.857 -10.078 1.00 0.00 N ATOM 974 CA LEU A 61 16.121 -21.866 -9.930 1.00 0.00 C ATOM 975 C LEU A 61 14.759 -22.471 -10.253 1.00 0.00 C ATOM 976 O LEU A 61 13.731 -21.933 -9.847 1.00 0.00 O ATOM 977 CB LEU A 61 16.490 -20.664 -10.806 1.00 0.00 C ATOM 978 CG LEU A 61 15.426 -19.567 -10.897 1.00 0.00 C ATOM 979 CD1 LEU A 61 16.144 -18.249 -11.182 1.00 0.00 C ATOM 980 CD2 LEU A 61 14.456 -19.813 -12.050 1.00 0.00 C ATOM 0 H LEU A 61 17.741 -22.732 -10.918 1.00 0.00 H new ATOM 0 HA LEU A 61 16.036 -21.524 -8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 61 17.410 -20.224 -10.421 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.706 -21.022 -11.813 1.00 0.00 H new ATOM 0 HG LEU A 61 14.865 -19.551 -9.963 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.412 -17.444 -11.253 1.00 0.00 H new ATOM 0 HD12 LEU A 61 16.843 -18.033 -10.374 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.689 -18.328 -12.122 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.717 -19.013 -12.081 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.007 -19.834 -12.990 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.951 -20.768 -11.903 1.00 0.00 H new ATOM 992 N ASP A 62 14.740 -23.588 -10.983 1.00 0.00 N ATOM 993 CA ASP A 62 13.508 -24.314 -11.253 1.00 0.00 C ATOM 994 C ASP A 62 13.038 -25.052 -9.994 1.00 0.00 C ATOM 995 O ASP A 62 11.937 -25.599 -9.965 1.00 0.00 O ATOM 996 CB ASP A 62 13.752 -25.278 -12.415 1.00 0.00 C ATOM 997 CG ASP A 62 12.469 -25.985 -12.849 1.00 0.00 C ATOM 998 OD1 ASP A 62 11.522 -25.274 -13.255 1.00 0.00 O ATOM 999 OD2 ASP A 62 12.443 -27.234 -12.772 1.00 0.00 O ATOM 0 H ASP A 62 15.572 -24.008 -11.398 1.00 0.00 H new ATOM 0 HA ASP A 62 12.716 -23.620 -11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.168 -24.730 -13.260 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.494 -26.021 -12.121 1.00 0.00 H new ATOM 1004 N SER A 63 13.876 -25.056 -8.952 1.00 0.00 N ATOM 1005 CA SER A 63 13.581 -25.671 -7.666 1.00 0.00 C ATOM 1006 C SER A 63 13.490 -24.614 -6.566 1.00 0.00 C ATOM 1007 O SER A 63 13.427 -24.952 -5.384 1.00 0.00 O ATOM 1008 CB SER A 63 14.642 -26.721 -7.338 1.00 0.00 C ATOM 1009 OG SER A 63 14.702 -27.690 -8.369 1.00 0.00 O ATOM 0 H SER A 63 14.798 -24.620 -8.986 1.00 0.00 H new ATOM 0 HA SER A 63 12.611 -26.166 -7.725 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.614 -26.243 -7.221 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.407 -27.203 -6.389 1.00 0.00 H new ATOM 0 HG SER A 63 15.386 -28.358 -8.151 1.00 0.00 H new ATOM 1015 N PHE A 64 13.481 -23.331 -6.940 1.00 0.00 N ATOM 1016 CA PHE A 64 13.379 -22.238 -5.987 1.00 0.00 C ATOM 1017 C PHE A 64 11.996 -22.265 -5.340 1.00 0.00 C ATOM 1018 O PHE A 64 10.984 -22.374 -6.033 1.00 0.00 O ATOM 1019 CB PHE A 64 13.639 -20.921 -6.723 1.00 0.00 C ATOM 1020 CG PHE A 64 13.579 -19.687 -5.855 1.00 0.00 C ATOM 1021 CD1 PHE A 64 14.454 -19.541 -4.767 1.00 0.00 C ATOM 1022 CD2 PHE A 64 12.644 -18.680 -6.143 1.00 0.00 C ATOM 1023 CE1 PHE A 64 14.394 -18.389 -3.972 1.00 0.00 C ATOM 1024 CE2 PHE A 64 12.591 -17.526 -5.350 1.00 0.00 C ATOM 1025 CZ PHE A 64 13.467 -17.381 -4.264 1.00 0.00 C ATOM 0 H PHE A 64 13.544 -23.028 -7.912 1.00 0.00 H new ATOM 0 HA PHE A 64 14.120 -22.339 -5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.622 -20.971 -7.191 1.00 0.00 H new ATOM 0 HB3 PHE A 64 12.908 -20.819 -7.525 1.00 0.00 H new ATOM 0 HD1 PHE A 64 15.172 -20.316 -4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.966 -18.795 -6.976 1.00 0.00 H new ATOM 0 HE1 PHE A 64 15.064 -18.278 -3.132 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.876 -16.748 -5.575 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.426 -16.491 -3.653 1.00 0.00 H new ATOM 1035 N ARG A 65 11.948 -22.167 -4.006 1.00 0.00 N ATOM 1036 CA ARG A 65 10.708 -22.300 -3.255 1.00 0.00 C ATOM 1037 C ARG A 65 10.119 -20.945 -2.869 1.00 0.00 C ATOM 1038 O ARG A 65 8.944 -20.873 -2.515 1.00 0.00 O ATOM 1039 CB ARG A 65 10.954 -23.159 -2.012 1.00 0.00 C ATOM 1040 CG ARG A 65 11.472 -24.550 -2.397 1.00 0.00 C ATOM 1041 CD ARG A 65 11.587 -25.449 -1.166 1.00 0.00 C ATOM 1042 NE ARG A 65 12.506 -24.886 -0.165 1.00 0.00 N ATOM 1043 CZ ARG A 65 13.752 -25.312 0.064 1.00 0.00 C ATOM 1044 NH1 ARG A 65 14.283 -26.311 -0.635 1.00 0.00 N ATOM 1045 NH2 ARG A 65 14.481 -24.733 1.012 1.00 0.00 N ATOM 0 H ARG A 65 12.768 -21.994 -3.425 1.00 0.00 H new ATOM 0 HA ARG A 65 9.975 -22.788 -3.897 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.676 -22.665 -1.362 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.029 -23.256 -1.444 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.798 -25.005 -3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.446 -24.459 -2.878 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.601 -25.583 -0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.938 -26.436 -1.468 1.00 0.00 H new ATOM 0 HE ARG A 65 12.165 -24.108 0.400 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.737 -26.770 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 65 15.236 -26.618 -0.442 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.089 -23.968 1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.432 -25.054 1.191 1.00 0.00 H new ATOM 1059 N GLY A 66 10.917 -19.876 -2.932 1.00 0.00 N ATOM 1060 CA GLY A 66 10.434 -18.543 -2.606 1.00 0.00 C ATOM 1061 C GLY A 66 10.277 -18.352 -1.100 1.00 0.00 C ATOM 1062 O GLY A 66 9.560 -17.457 -0.662 1.00 0.00 O ATOM 0 H GLY A 66 11.899 -19.913 -3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.128 -17.799 -2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.475 -18.373 -3.096 1.00 0.00 H new ATOM 1066 N ASP A 67 10.943 -19.195 -0.307 1.00 0.00 N ATOM 1067 CA ASP A 67 10.913 -19.118 1.147 1.00 0.00 C ATOM 1068 C ASP A 67 11.586 -17.832 1.638 1.00 0.00 C ATOM 1069 O ASP A 67 11.472 -17.483 2.812 1.00 0.00 O ATOM 1070 CB ASP A 67 11.633 -20.343 1.716 1.00 0.00 C ATOM 1071 CG ASP A 67 10.829 -21.627 1.539 1.00 0.00 C ATOM 1072 OD1 ASP A 67 9.589 -21.565 1.694 1.00 0.00 O ATOM 1073 OD2 ASP A 67 11.468 -22.663 1.249 1.00 0.00 O ATOM 0 H ASP A 67 11.522 -19.955 -0.664 1.00 0.00 H new ATOM 0 HA ASP A 67 9.878 -19.103 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.600 -20.453 1.225 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.830 -20.185 2.776 1.00 0.00 H new ATOM 1078 N SER A 68 12.283 -17.131 0.741 1.00 0.00 N ATOM 1079 CA SER A 68 12.941 -15.865 1.017 1.00 0.00 C ATOM 1080 C SER A 68 13.101 -15.094 -0.291 1.00 0.00 C ATOM 1081 O SER A 68 12.801 -15.618 -1.365 1.00 0.00 O ATOM 1082 CB SER A 68 14.302 -16.147 1.650 1.00 0.00 C ATOM 1083 OG SER A 68 14.995 -14.946 1.909 1.00 0.00 O ATOM 0 H SER A 68 12.405 -17.443 -0.223 1.00 0.00 H new ATOM 0 HA SER A 68 12.348 -15.264 1.707 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.168 -16.702 2.579 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.893 -16.777 0.985 1.00 0.00 H new ATOM 0 HG SER A 68 15.177 -14.874 2.869 1.00 0.00 H new ATOM 1089 N ALA A 69 13.571 -13.849 -0.214 1.00 0.00 N ATOM 1090 CA ALA A 69 13.835 -13.040 -1.394 1.00 0.00 C ATOM 1091 C ALA A 69 14.890 -13.723 -2.264 1.00 0.00 C ATOM 1092 O ALA A 69 15.702 -14.502 -1.766 1.00 0.00 O ATOM 1093 CB ALA A 69 14.289 -11.646 -0.967 1.00 0.00 C ATOM 0 H ALA A 69 13.777 -13.378 0.667 1.00 0.00 H new ATOM 0 HA ALA A 69 12.924 -12.938 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.487 -11.041 -1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.506 -11.175 -0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.199 -11.726 -0.372 1.00 0.00 H new ATOM 1099 N PHE A 70 14.888 -13.439 -3.569 1.00 0.00 N ATOM 1100 CA PHE A 70 15.796 -14.113 -4.487 1.00 0.00 C ATOM 1101 C PHE A 70 17.254 -13.820 -4.152 1.00 0.00 C ATOM 1102 O PHE A 70 18.108 -14.684 -4.327 1.00 0.00 O ATOM 1103 CB PHE A 70 15.509 -13.662 -5.916 1.00 0.00 C ATOM 1104 CG PHE A 70 16.425 -14.329 -6.916 1.00 0.00 C ATOM 1105 CD1 PHE A 70 16.308 -15.704 -7.158 1.00 0.00 C ATOM 1106 CD2 PHE A 70 17.396 -13.578 -7.594 1.00 0.00 C ATOM 1107 CE1 PHE A 70 17.171 -16.332 -8.066 1.00 0.00 C ATOM 1108 CE2 PHE A 70 18.260 -14.208 -8.501 1.00 0.00 C ATOM 1109 CZ PHE A 70 18.153 -15.587 -8.733 1.00 0.00 C ATOM 0 H PHE A 70 14.272 -12.753 -4.006 1.00 0.00 H new ATOM 0 HA PHE A 70 15.632 -15.186 -4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.473 -13.889 -6.166 1.00 0.00 H new ATOM 0 HB3 PHE A 70 15.624 -12.580 -5.985 1.00 0.00 H new ATOM 0 HD1 PHE A 70 15.552 -16.280 -6.645 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.478 -12.516 -7.418 1.00 0.00 H new ATOM 0 HE1 PHE A 70 17.079 -17.392 -8.252 1.00 0.00 H new ATOM 0 HE2 PHE A 70 19.009 -13.630 -9.022 1.00 0.00 H new ATOM 0 HZ PHE A 70 18.826 -16.074 -9.424 1.00 0.00 H new ATOM 1119 N TYR A 71 17.547 -12.609 -3.672 1.00 0.00 N ATOM 1120 CA TYR A 71 18.916 -12.225 -3.376 1.00 0.00 C ATOM 1121 C TYR A 71 19.461 -13.015 -2.191 1.00 0.00 C ATOM 1122 O TYR A 71 20.656 -13.289 -2.129 1.00 0.00 O ATOM 1123 CB TYR A 71 18.949 -10.733 -3.062 1.00 0.00 C ATOM 1124 CG TYR A 71 20.348 -10.199 -2.880 1.00 0.00 C ATOM 1125 CD1 TYR A 71 20.955 -10.200 -1.614 1.00 0.00 C ATOM 1126 CD2 TYR A 71 21.042 -9.704 -3.991 1.00 0.00 C ATOM 1127 CE1 TYR A 71 22.237 -9.659 -1.455 1.00 0.00 C ATOM 1128 CE2 TYR A 71 22.326 -9.171 -3.845 1.00 0.00 C ATOM 1129 CZ TYR A 71 22.919 -9.124 -2.563 1.00 0.00 C ATOM 1130 OH TYR A 71 24.153 -8.577 -2.391 1.00 0.00 O ATOM 0 H TYR A 71 16.853 -11.885 -3.483 1.00 0.00 H new ATOM 0 HA TYR A 71 19.542 -12.443 -4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 71 18.460 -10.187 -3.869 1.00 0.00 H new ATOM 0 HB3 TYR A 71 18.374 -10.545 -2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 71 20.434 -10.617 -0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 71 20.582 -9.734 -4.968 1.00 0.00 H new ATOM 0 HE1 TYR A 71 22.703 -9.653 -0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 71 22.861 -8.798 -4.706 1.00 0.00 H new ATOM 0 HH TYR A 71 24.135 -7.636 -2.664 1.00 0.00 H new ATOM 1140 N THR A 72 18.588 -13.382 -1.251 1.00 0.00 N ATOM 1141 CA THR A 72 19.002 -14.127 -0.078 1.00 0.00 C ATOM 1142 C THR A 72 19.483 -15.510 -0.508 1.00 0.00 C ATOM 1143 O THR A 72 20.407 -16.063 0.081 1.00 0.00 O ATOM 1144 CB THR A 72 17.821 -14.254 0.884 1.00 0.00 C ATOM 1145 OG1 THR A 72 17.220 -12.992 1.080 1.00 0.00 O ATOM 1146 CG2 THR A 72 18.274 -14.798 2.236 1.00 0.00 C ATOM 0 H THR A 72 17.591 -13.171 -1.286 1.00 0.00 H new ATOM 0 HA THR A 72 19.816 -13.606 0.427 1.00 0.00 H new ATOM 0 HB THR A 72 17.103 -14.946 0.443 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.305 -13.113 1.408 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.415 -14.879 2.902 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.722 -15.782 2.101 1.00 0.00 H new ATOM 0 HG23 THR A 72 19.009 -14.122 2.672 1.00 0.00 H new ATOM 1154 N TRP A 73 18.847 -16.062 -1.543 1.00 0.00 N ATOM 1155 CA TRP A 73 19.165 -17.378 -2.066 1.00 0.00 C ATOM 1156 C TRP A 73 20.363 -17.310 -3.009 1.00 0.00 C ATOM 1157 O TRP A 73 21.159 -18.248 -3.070 1.00 0.00 O ATOM 1158 CB TRP A 73 17.918 -17.891 -2.787 1.00 0.00 C ATOM 1159 CG TRP A 73 18.029 -19.246 -3.404 1.00 0.00 C ATOM 1160 CD1 TRP A 73 17.975 -20.418 -2.738 1.00 0.00 C ATOM 1161 CD2 TRP A 73 18.206 -19.598 -4.811 1.00 0.00 C ATOM 1162 NE1 TRP A 73 18.072 -21.465 -3.631 1.00 0.00 N ATOM 1163 CE2 TRP A 73 18.212 -21.014 -4.929 1.00 0.00 C ATOM 1164 CE3 TRP A 73 18.360 -18.856 -5.997 1.00 0.00 C ATOM 1165 CZ2 TRP A 73 18.341 -21.664 -6.163 1.00 0.00 C ATOM 1166 CZ3 TRP A 73 18.505 -19.498 -7.237 1.00 0.00 C ATOM 1167 CH2 TRP A 73 18.487 -20.896 -7.324 1.00 0.00 C ATOM 0 H TRP A 73 18.089 -15.597 -2.042 1.00 0.00 H new ATOM 0 HA TRP A 73 19.441 -18.058 -1.260 1.00 0.00 H new ATOM 0 HB2 TRP A 73 17.091 -17.904 -2.077 1.00 0.00 H new ATOM 0 HB3 TRP A 73 17.656 -17.178 -3.569 1.00 0.00 H new ATOM 0 HD1 TRP A 73 17.872 -20.521 -1.668 1.00 0.00 H new ATOM 0 HE1 TRP A 73 18.044 -22.450 -3.366 1.00 0.00 H new ATOM 0 HE3 TRP A 73 18.367 -17.777 -5.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 18.328 -22.743 -6.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 18.632 -18.908 -8.133 1.00 0.00 H new ATOM 0 HH2 TRP A 73 18.586 -21.380 -8.284 1.00 0.00 H new ATOM 1178 N LEU A 74 20.502 -16.202 -3.742 1.00 0.00 N ATOM 1179 CA LEU A 74 21.612 -16.000 -4.660 1.00 0.00 C ATOM 1180 C LEU A 74 22.903 -15.856 -3.855 1.00 0.00 C ATOM 1181 O LEU A 74 23.965 -16.318 -4.273 1.00 0.00 O ATOM 1182 CB LEU A 74 21.335 -14.733 -5.476 1.00 0.00 C ATOM 1183 CG LEU A 74 21.902 -14.770 -6.900 1.00 0.00 C ATOM 1184 CD1 LEU A 74 21.693 -13.400 -7.542 1.00 0.00 C ATOM 1185 CD2 LEU A 74 23.389 -15.107 -6.946 1.00 0.00 C ATOM 0 H LEU A 74 19.845 -15.423 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 74 21.719 -16.847 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 74 20.258 -14.576 -5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 74 21.756 -13.876 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 74 21.375 -15.558 -7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 74 22.091 -13.409 -8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 74 20.628 -13.171 -7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 74 22.211 -12.641 -6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 74 23.728 -15.117 -7.982 1.00 0.00 H new ATOM 0 HD22 LEU A 74 23.950 -14.357 -6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 74 23.554 -16.088 -6.501 1.00 0.00 H new ATOM 1197 N TYR A 75 22.806 -15.210 -2.688 1.00 0.00 N ATOM 1198 CA TYR A 75 23.955 -14.965 -1.835 1.00 0.00 C ATOM 1199 C TYR A 75 24.526 -16.282 -1.310 1.00 0.00 C ATOM 1200 O TYR A 75 25.744 -16.450 -1.294 1.00 0.00 O ATOM 1201 CB TYR A 75 23.513 -14.038 -0.699 1.00 0.00 C ATOM 1202 CG TYR A 75 24.635 -13.431 0.115 1.00 0.00 C ATOM 1203 CD1 TYR A 75 25.502 -14.244 0.858 1.00 0.00 C ATOM 1204 CD2 TYR A 75 24.796 -12.037 0.132 1.00 0.00 C ATOM 1205 CE1 TYR A 75 26.534 -13.666 1.618 1.00 0.00 C ATOM 1206 CE2 TYR A 75 25.812 -11.451 0.898 1.00 0.00 C ATOM 1207 CZ TYR A 75 26.690 -12.265 1.642 1.00 0.00 C ATOM 1208 OH TYR A 75 27.683 -11.705 2.387 1.00 0.00 O ATOM 0 H TYR A 75 21.928 -14.847 -2.317 1.00 0.00 H new ATOM 0 HA TYR A 75 24.755 -14.484 -2.398 1.00 0.00 H new ATOM 0 HB2 TYR A 75 22.916 -13.231 -1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 75 22.861 -14.598 -0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 75 25.377 -15.317 0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 75 24.133 -11.413 -0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 75 27.207 -14.295 2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 75 25.922 -10.377 0.918 1.00 0.00 H new ATOM 0 HH TYR A 75 27.653 -10.730 2.293 1.00 0.00 H new ATOM 1218 N ARG A 76 23.665 -17.216 -0.883 1.00 0.00 N ATOM 1219 CA ARG A 76 24.130 -18.487 -0.335 1.00 0.00 C ATOM 1220 C ARG A 76 24.839 -19.333 -1.385 1.00 0.00 C ATOM 1221 O ARG A 76 25.810 -20.014 -1.063 1.00 0.00 O ATOM 1222 CB ARG A 76 22.948 -19.296 0.209 1.00 0.00 C ATOM 1223 CG ARG A 76 22.237 -18.629 1.380 1.00 0.00 C ATOM 1224 CD ARG A 76 23.175 -18.350 2.553 1.00 0.00 C ATOM 1225 NE ARG A 76 22.437 -17.761 3.675 1.00 0.00 N ATOM 1226 CZ ARG A 76 23.008 -17.180 4.734 1.00 0.00 C ATOM 1227 NH1 ARG A 76 24.333 -17.112 4.844 1.00 0.00 N ATOM 1228 NH2 ARG A 76 22.245 -16.660 5.689 1.00 0.00 N ATOM 0 H ARG A 76 22.651 -17.112 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 76 24.833 -18.248 0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 76 22.230 -19.460 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 76 23.304 -20.277 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 76 21.792 -17.692 1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 76 21.420 -19.268 1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 76 23.653 -19.276 2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 76 23.969 -17.673 2.238 1.00 0.00 H new ATOM 0 HE ARG A 76 21.418 -17.797 3.645 1.00 0.00 H new ATOM 0 HH11 ARG A 76 24.926 -17.506 4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 76 24.755 -16.665 5.658 1.00 0.00 H new ATOM 0 HH21 ARG A 76 21.229 -16.706 5.611 1.00 0.00 H new ATOM 0 HH22 ARG A 76 22.675 -16.215 6.500 1.00 0.00 H new ATOM 1242 N ILE A 77 24.369 -19.298 -2.637 1.00 0.00 N ATOM 1243 CA ILE A 77 24.976 -20.112 -3.682 1.00 0.00 C ATOM 1244 C ILE A 77 26.345 -19.554 -4.053 1.00 0.00 C ATOM 1245 O ILE A 77 27.252 -20.322 -4.367 1.00 0.00 O ATOM 1246 CB ILE A 77 24.047 -20.163 -4.904 1.00 0.00 C ATOM 1247 CG1 ILE A 77 22.780 -20.947 -4.539 1.00 0.00 C ATOM 1248 CG2 ILE A 77 24.754 -20.829 -6.092 1.00 0.00 C ATOM 1249 CD1 ILE A 77 21.812 -21.060 -5.716 1.00 0.00 C ATOM 0 H ILE A 77 23.584 -18.723 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 77 25.117 -21.129 -3.315 1.00 0.00 H new ATOM 0 HB ILE A 77 23.780 -19.147 -5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 77 23.057 -21.946 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 77 22.279 -20.456 -3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.080 -20.856 -6.948 1.00 0.00 H new ATOM 0 HG22 ILE A 77 25.646 -20.259 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 77 25.039 -21.846 -5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 77 20.931 -21.623 -5.409 1.00 0.00 H new ATOM 0 HD12 ILE A 77 21.512 -20.063 -6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.302 -21.575 -6.542 1.00 0.00 H new ATOM 1261 N ALA A 78 26.513 -18.230 -4.021 1.00 0.00 N ATOM 1262 CA ALA A 78 27.755 -17.612 -4.445 1.00 0.00 C ATOM 1263 C ALA A 78 28.884 -17.857 -3.447 1.00 0.00 C ATOM 1264 O ALA A 78 30.015 -18.109 -3.856 1.00 0.00 O ATOM 1265 CB ALA A 78 27.506 -16.121 -4.622 1.00 0.00 C ATOM 0 H ALA A 78 25.800 -17.572 -3.705 1.00 0.00 H new ATOM 0 HA ALA A 78 28.073 -18.058 -5.387 1.00 0.00 H new ATOM 0 HB1 ALA A 78 28.427 -15.634 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 78 26.734 -15.968 -5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 78 27.178 -15.692 -3.675 1.00 0.00 H new ATOM 1271 N VAL A 79 28.599 -17.790 -2.144 1.00 0.00 N ATOM 1272 CA VAL A 79 29.629 -18.024 -1.136 1.00 0.00 C ATOM 1273 C VAL A 79 29.980 -19.506 -1.078 1.00 0.00 C ATOM 1274 O VAL A 79 31.118 -19.864 -0.784 1.00 0.00 O ATOM 1275 CB VAL A 79 29.160 -17.499 0.228 1.00 0.00 C ATOM 1276 CG1 VAL A 79 27.845 -18.134 0.681 1.00 0.00 C ATOM 1277 CG2 VAL A 79 30.202 -17.798 1.300 1.00 0.00 C ATOM 0 H VAL A 79 27.675 -17.578 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 79 30.533 -17.480 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 79 29.015 -16.426 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 79 27.560 -17.727 1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 79 27.065 -17.915 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 79 27.972 -19.213 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 79 29.854 -17.419 2.261 1.00 0.00 H new ATOM 0 HG22 VAL A 79 30.355 -18.875 1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 79 31.143 -17.314 1.038 1.00 0.00 H new ATOM 1287 N ASN A 80 29.010 -20.377 -1.361 1.00 0.00 N ATOM 1288 CA ASN A 80 29.234 -21.810 -1.322 1.00 0.00 C ATOM 1289 C ASN A 80 29.862 -22.308 -2.623 1.00 0.00 C ATOM 1290 O ASN A 80 30.500 -23.359 -2.621 1.00 0.00 O ATOM 1291 CB ASN A 80 27.907 -22.506 -1.012 1.00 0.00 C ATOM 1292 CG ASN A 80 27.518 -22.337 0.451 1.00 0.00 C ATOM 1293 OD1 ASN A 80 28.290 -21.828 1.261 1.00 0.00 O ATOM 1294 ND2 ASN A 80 26.311 -22.761 0.811 1.00 0.00 N ATOM 0 H ASN A 80 28.061 -20.107 -1.620 1.00 0.00 H new ATOM 0 HA ASN A 80 29.947 -22.051 -0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 80 27.122 -22.096 -1.648 1.00 0.00 H new ATOM 0 HB3 ASN A 80 27.987 -23.567 -1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 80 26.006 -22.668 1.780 1.00 0.00 H new ATOM 0 HD22 ASN A 80 25.690 -23.180 0.119 1.00 0.00 H new ATOM 1301 N THR A 81 29.704 -21.581 -3.734 1.00 0.00 N ATOM 1302 CA THR A 81 30.365 -21.956 -4.978 1.00 0.00 C ATOM 1303 C THR A 81 31.850 -21.627 -4.880 1.00 0.00 C ATOM 1304 O THR A 81 32.689 -22.396 -5.343 1.00 0.00 O ATOM 1305 CB THR A 81 29.719 -21.223 -6.158 1.00 0.00 C ATOM 1306 OG1 THR A 81 28.389 -21.662 -6.315 1.00 0.00 O ATOM 1307 CG2 THR A 81 30.460 -21.507 -7.461 1.00 0.00 C ATOM 0 H THR A 81 29.130 -20.740 -3.793 1.00 0.00 H new ATOM 0 HA THR A 81 30.253 -23.027 -5.144 1.00 0.00 H new ATOM 0 HB THR A 81 29.759 -20.155 -5.944 1.00 0.00 H new ATOM 0 HG1 THR A 81 27.812 -21.190 -5.679 1.00 0.00 H new ATOM 0 HG21 THR A 81 29.977 -20.972 -8.279 1.00 0.00 H new ATOM 0 HG22 THR A 81 31.494 -21.175 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 81 30.439 -22.577 -7.665 1.00 0.00 H new ATOM 1315 N ALA A 82 32.181 -20.485 -4.271 1.00 0.00 N ATOM 1316 CA ALA A 82 33.565 -20.076 -4.098 1.00 0.00 C ATOM 1317 C ALA A 82 34.243 -20.885 -2.994 1.00 0.00 C ATOM 1318 O ALA A 82 35.452 -21.103 -3.046 1.00 0.00 O ATOM 1319 CB ALA A 82 33.598 -18.582 -3.782 1.00 0.00 C ATOM 0 H ALA A 82 31.500 -19.828 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 82 34.117 -20.266 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 82 34.631 -18.261 -3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 82 33.148 -18.026 -4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 82 33.039 -18.391 -2.866 1.00 0.00 H new ATOM 1325 N LYS A 83 33.482 -21.342 -1.992 1.00 0.00 N ATOM 1326 CA LYS A 83 34.055 -22.106 -0.890 1.00 0.00 C ATOM 1327 C LYS A 83 34.218 -23.576 -1.276 1.00 0.00 C ATOM 1328 O LYS A 83 35.148 -24.234 -0.805 1.00 0.00 O ATOM 1329 CB LYS A 83 33.177 -21.930 0.350 1.00 0.00 C ATOM 1330 CG LYS A 83 33.889 -22.465 1.590 1.00 0.00 C ATOM 1331 CD LYS A 83 33.010 -22.318 2.833 1.00 0.00 C ATOM 1332 CE LYS A 83 32.671 -20.851 3.101 1.00 0.00 C ATOM 1333 NZ LYS A 83 31.847 -20.708 4.319 1.00 0.00 N ATOM 0 H LYS A 83 32.475 -21.195 -1.926 1.00 0.00 H new ATOM 0 HA LYS A 83 35.053 -21.732 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A 83 32.938 -20.875 0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 83 32.232 -22.455 0.211 1.00 0.00 H new ATOM 0 HG2 LYS A 83 34.144 -23.514 1.443 1.00 0.00 H new ATOM 0 HG3 LYS A 83 34.825 -21.927 1.737 1.00 0.00 H new ATOM 0 HD2 LYS A 83 32.090 -22.888 2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 83 33.524 -22.739 3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 83 33.591 -20.277 3.211 1.00 0.00 H new ATOM 0 HE3 LYS A 83 32.137 -20.436 2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 31.632 -19.703 4.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 30.960 -21.238 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 32.369 -21.083 5.137 1.00 0.00 H new ATOM 1347 N ASN A 84 33.333 -24.100 -2.128 1.00 0.00 N ATOM 1348 CA ASN A 84 33.467 -25.463 -2.619 1.00 0.00 C ATOM 1349 C ASN A 84 34.600 -25.544 -3.642 1.00 0.00 C ATOM 1350 O ASN A 84 35.141 -26.621 -3.885 1.00 0.00 O ATOM 1351 CB ASN A 84 32.141 -25.939 -3.220 1.00 0.00 C ATOM 1352 CG ASN A 84 31.063 -26.148 -2.159 1.00 0.00 C ATOM 1353 OD1 ASN A 84 31.307 -26.030 -0.961 1.00 0.00 O ATOM 1354 ND2 ASN A 84 29.848 -26.463 -2.599 1.00 0.00 N ATOM 0 H ASN A 84 32.521 -23.599 -2.488 1.00 0.00 H new ATOM 0 HA ASN A 84 33.716 -26.122 -1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 84 31.792 -25.208 -3.949 1.00 0.00 H new ATOM 0 HB3 ASN A 84 32.303 -26.873 -3.758 1.00 0.00 H new ATOM 0 HD21 ASN A 84 29.088 -26.614 -1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 84 29.676 -26.554 -3.600 1.00 0.00 H new ATOM 1361 N TYR A 85 34.965 -24.405 -4.241 1.00 0.00 N ATOM 1362 CA TYR A 85 36.073 -24.347 -5.174 1.00 0.00 C ATOM 1363 C TYR A 85 37.410 -24.488 -4.445 1.00 0.00 C ATOM 1364 O TYR A 85 38.356 -25.028 -5.009 1.00 0.00 O ATOM 1365 CB TYR A 85 35.993 -23.026 -5.938 1.00 0.00 C ATOM 1366 CG TYR A 85 37.161 -22.780 -6.863 1.00 0.00 C ATOM 1367 CD1 TYR A 85 37.184 -23.367 -8.137 1.00 0.00 C ATOM 1368 CD2 TYR A 85 38.221 -21.960 -6.446 1.00 0.00 C ATOM 1369 CE1 TYR A 85 38.268 -23.142 -8.996 1.00 0.00 C ATOM 1370 CE2 TYR A 85 39.312 -21.729 -7.300 1.00 0.00 C ATOM 1371 CZ TYR A 85 39.340 -22.323 -8.578 1.00 0.00 C ATOM 1372 OH TYR A 85 40.398 -22.114 -9.411 1.00 0.00 O ATOM 0 H TYR A 85 34.499 -23.510 -4.088 1.00 0.00 H new ATOM 0 HA TYR A 85 36.008 -25.177 -5.877 1.00 0.00 H new ATOM 0 HB2 TYR A 85 35.072 -23.010 -6.520 1.00 0.00 H new ATOM 0 HB3 TYR A 85 35.931 -22.207 -5.222 1.00 0.00 H new ATOM 0 HD1 TYR A 85 36.364 -23.994 -8.456 1.00 0.00 H new ATOM 0 HD2 TYR A 85 38.198 -21.506 -5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 85 38.284 -23.594 -9.977 1.00 0.00 H new ATOM 0 HE2 TYR A 85 40.127 -21.098 -6.978 1.00 0.00 H new ATOM 0 HH TYR A 85 40.095 -22.160 -10.342 1.00 0.00 H new ATOM 1382 N LEU A 86 37.505 -24.016 -3.196 1.00 0.00 N ATOM 1383 CA LEU A 86 38.745 -24.105 -2.438 1.00 0.00 C ATOM 1384 C LEU A 86 39.023 -25.532 -1.975 1.00 0.00 C ATOM 1385 O LEU A 86 40.182 -25.941 -1.913 1.00 0.00 O ATOM 1386 CB LEU A 86 38.684 -23.163 -1.236 1.00 0.00 C ATOM 1387 CG LEU A 86 38.567 -21.697 -1.652 1.00 0.00 C ATOM 1388 CD1 LEU A 86 38.475 -20.839 -0.392 1.00 0.00 C ATOM 1389 CD2 LEU A 86 39.776 -21.257 -2.479 1.00 0.00 C ATOM 0 H LEU A 86 36.736 -23.571 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 86 39.563 -23.808 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 86 37.832 -23.430 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 86 39.579 -23.295 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 86 37.675 -21.576 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 86 38.391 -19.789 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 86 37.598 -21.132 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 86 39.371 -20.983 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 86 39.663 -20.210 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 86 40.684 -21.379 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 86 39.843 -21.869 -3.379 1.00 0.00 H new ATOM 1401 N VAL A 87 37.981 -26.302 -1.650 1.00 0.00 N ATOM 1402 CA VAL A 87 38.166 -27.695 -1.250 1.00 0.00 C ATOM 1403 C VAL A 87 38.366 -28.587 -2.469 1.00 0.00 C ATOM 1404 O VAL A 87 38.807 -29.726 -2.332 1.00 0.00 O ATOM 1405 CB VAL A 87 37.006 -28.185 -0.383 1.00 0.00 C ATOM 1406 CG1 VAL A 87 36.970 -27.406 0.931 1.00 0.00 C ATOM 1407 CG2 VAL A 87 35.669 -28.022 -1.097 1.00 0.00 C ATOM 0 H VAL A 87 37.011 -25.987 -1.656 1.00 0.00 H new ATOM 0 HA VAL A 87 39.069 -27.752 -0.643 1.00 0.00 H new ATOM 0 HB VAL A 87 37.166 -29.245 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 87 36.141 -27.762 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 87 37.907 -27.555 1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 87 36.837 -26.345 0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 87 34.866 -28.380 -0.452 1.00 0.00 H new ATOM 0 HG22 VAL A 87 35.506 -26.969 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 87 35.677 -28.600 -2.021 1.00 0.00 H new