USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 ASN : amide:sc= 0 K(o=-1.3,f=-3.1!) USER MOD Set 1.2: A 64 ASN : amide:sc= -1.34 K(o=-1.3,f=-4.9!) USER MOD Single : A 1 MET CE :methyl -136:sc= -0.0728 (180deg=-0.185) USER MOD Single : A 1 MET N :NH3+ -134:sc= -0.353 (180deg=-2.82!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.379 USER MOD Single : A 6 TYR OH : rot 30:sc= -0.929 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 160:sc= -0.372 USER MOD Single : A 14 THR OG1 : rot 175:sc= 1.72 USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0386) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 146:sc= 0.345 USER MOD Single : A 22 ASN : amide:sc= -0.0367 X(o=-0.037,f=-0.41) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -147:sc= -0.0898 (180deg=-1.09) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 86:sc= 0.975 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 88:sc= -0.116 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0477 K(o=-0.048,f=-1.7!) USER MOD Single : A 46 MET CE :methyl 162:sc= -2.63 (180deg=-3.64!) USER MOD Single : A 47 TYR OH : rot -86:sc= 1.23 USER MOD Single : A 50 ASN : amide:sc=-0.00542 K(o=-0.0054,f=-0.54) USER MOD Single : A 51 ASN : amide:sc= -0.092 X(o=-0.092,f=-0.55) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= 1.04 (180deg=0.786) USER MOD Single : A 55 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.7) USER MOD Single : A 61 ASN : amide:sc= -2.59 K(o=-2.6,f=-4.6!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 50:sc= -0.825 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.699 12.108 6.888 1.00 14.30 N ATOM 2 CA MET A 1 -1.763 11.052 7.254 1.00 65.02 C ATOM 3 C MET A 1 -2.297 9.685 6.837 1.00 64.41 C ATOM 4 O MET A 1 -3.496 9.422 6.927 1.00 23.10 O ATOM 5 CB MET A 1 -1.501 11.071 8.761 1.00 5.15 C ATOM 6 CG MET A 1 -0.729 9.861 9.260 1.00 63.11 C ATOM 7 SD MET A 1 0.156 10.186 10.797 1.00 74.10 S ATOM 8 CE MET A 1 -0.995 9.522 11.998 1.00 32.20 C ATOM 0 H1 MET A 1 -2.181 12.891 6.440 1.00 14.30 H new ATOM 0 H2 MET A 1 -3.403 11.732 6.222 1.00 14.30 H new ATOM 0 H3 MET A 1 -3.181 12.456 7.741 1.00 14.30 H new ATOM 0 HA MET A 1 -0.826 11.234 6.728 1.00 65.02 H new ATOM 0 HB2 MET A 1 -0.946 11.975 9.013 1.00 5.15 H new ATOM 0 HB3 MET A 1 -2.455 11.125 9.286 1.00 5.15 H new ATOM 0 HG2 MET A 1 -1.420 9.032 9.412 1.00 63.11 H new ATOM 0 HG3 MET A 1 -0.018 9.548 8.495 1.00 63.11 H new ATOM 0 HE1 MET A 1 -1.085 10.213 12.836 1.00 32.20 H new ATOM 0 HE2 MET A 1 -1.971 9.388 11.531 1.00 32.20 H new ATOM 0 HE3 MET A 1 -0.630 8.560 12.359 1.00 32.20 H new ATOM 16 N VAL A 2 -1.399 8.818 6.379 1.00 51.20 N ATOM 17 CA VAL A 2 -1.779 7.478 5.948 1.00 0.51 C ATOM 18 C VAL A 2 -1.020 6.412 6.731 1.00 15.31 C ATOM 19 O VAL A 2 0.198 6.493 6.891 1.00 14.21 O ATOM 20 CB VAL A 2 -1.520 7.277 4.444 1.00 5.41 C ATOM 21 CG1 VAL A 2 -2.330 8.270 3.625 1.00 70.52 C ATOM 22 CG2 VAL A 2 -0.036 7.406 4.138 1.00 73.23 C ATOM 0 H VAL A 2 -0.403 9.020 6.297 1.00 51.20 H new ATOM 0 HA VAL A 2 -2.847 7.375 6.142 1.00 0.51 H new ATOM 0 HB VAL A 2 -1.838 6.271 4.169 1.00 5.41 H new ATOM 0 HG11 VAL A 2 -2.134 8.113 2.564 1.00 70.52 H new ATOM 0 HG12 VAL A 2 -3.392 8.124 3.823 1.00 70.52 H new ATOM 0 HG13 VAL A 2 -2.046 9.286 3.900 1.00 70.52 H new ATOM 0 HG21 VAL A 2 0.129 7.261 3.070 1.00 73.23 H new ATOM 0 HG22 VAL A 2 0.310 8.398 4.427 1.00 73.23 H new ATOM 0 HG23 VAL A 2 0.518 6.651 4.697 1.00 73.23 H new ATOM 32 N THR A 3 -1.748 5.412 7.217 1.00 0.32 N ATOM 33 CA THR A 3 -1.144 4.330 7.984 1.00 53.43 C ATOM 34 C THR A 3 -1.294 2.994 7.264 1.00 52.11 C ATOM 35 O THR A 3 -2.372 2.662 6.770 1.00 35.02 O ATOM 36 CB THR A 3 -1.770 4.217 9.387 1.00 31.43 C ATOM 37 OG1 THR A 3 -2.089 5.520 9.887 1.00 34.24 O ATOM 38 CG2 THR A 3 -0.821 3.517 10.348 1.00 12.51 C ATOM 0 H THR A 3 -2.757 5.329 7.093 1.00 0.32 H new ATOM 0 HA THR A 3 -0.085 4.568 8.085 1.00 53.43 H new ATOM 0 HB THR A 3 -2.682 3.626 9.308 1.00 31.43 H new ATOM 0 HG1 THR A 3 -2.488 5.440 10.778 1.00 34.24 H new ATOM 0 HG21 THR A 3 -1.285 3.449 11.332 1.00 12.51 H new ATOM 0 HG22 THR A 3 -0.604 2.515 9.979 1.00 12.51 H new ATOM 0 HG23 THR A 3 0.106 4.085 10.422 1.00 12.51 H new ATOM 46 N VAL A 4 -0.208 2.231 7.208 1.00 72.11 N ATOM 47 CA VAL A 4 -0.220 0.931 6.550 1.00 61.24 C ATOM 48 C VAL A 4 -0.013 -0.197 7.555 1.00 52.51 C ATOM 49 O VAL A 4 0.091 0.043 8.759 1.00 70.42 O ATOM 50 CB VAL A 4 0.869 0.841 5.464 1.00 61.21 C ATOM 51 CG1 VAL A 4 0.537 1.758 4.297 1.00 13.14 C ATOM 52 CG2 VAL A 4 2.232 1.180 6.048 1.00 42.45 C ATOM 0 H VAL A 4 0.692 2.491 7.611 1.00 72.11 H new ATOM 0 HA VAL A 4 -1.199 0.823 6.083 1.00 61.24 H new ATOM 0 HB VAL A 4 0.903 -0.183 5.092 1.00 61.21 H new ATOM 0 HG11 VAL A 4 1.318 1.681 3.540 1.00 13.14 H new ATOM 0 HG12 VAL A 4 -0.419 1.464 3.864 1.00 13.14 H new ATOM 0 HG13 VAL A 4 0.474 2.787 4.650 1.00 13.14 H new ATOM 0 HG21 VAL A 4 2.990 1.112 5.267 1.00 42.45 H new ATOM 0 HG22 VAL A 4 2.214 2.194 6.449 1.00 42.45 H new ATOM 0 HG23 VAL A 4 2.470 0.478 6.847 1.00 42.45 H new ATOM 62 N ARG A 5 0.045 -1.426 7.054 1.00 14.53 N ATOM 63 CA ARG A 5 0.238 -2.591 7.909 1.00 25.12 C ATOM 64 C ARG A 5 0.776 -3.771 7.105 1.00 43.13 C ATOM 65 O ARG A 5 0.567 -3.859 5.895 1.00 13.13 O ATOM 66 CB ARG A 5 -1.078 -2.979 8.585 1.00 13.43 C ATOM 67 CG ARG A 5 -1.329 -2.247 9.893 1.00 43.34 C ATOM 68 CD ARG A 5 -2.338 -2.985 10.759 1.00 3.11 C ATOM 69 NE ARG A 5 -1.715 -4.054 11.536 1.00 72.05 N ATOM 70 CZ ARG A 5 -2.391 -4.870 12.338 1.00 74.24 C ATOM 71 NH1 ARG A 5 -3.704 -4.740 12.467 1.00 50.13 N ATOM 72 NH2 ARG A 5 -1.752 -5.817 13.012 1.00 63.12 N ATOM 0 H ARG A 5 -0.039 -1.641 6.060 1.00 14.53 H new ATOM 0 HA ARG A 5 0.968 -2.331 8.675 1.00 25.12 H new ATOM 0 HB2 ARG A 5 -1.902 -2.776 7.901 1.00 13.43 H new ATOM 0 HB3 ARG A 5 -1.077 -4.053 8.773 1.00 13.43 H new ATOM 0 HG2 ARG A 5 -0.391 -2.139 10.437 1.00 43.34 H new ATOM 0 HG3 ARG A 5 -1.694 -1.241 9.684 1.00 43.34 H new ATOM 0 HD2 ARG A 5 -2.820 -2.279 11.435 1.00 3.11 H new ATOM 0 HD3 ARG A 5 -3.120 -3.405 10.126 1.00 3.11 H new ATOM 0 HE ARG A 5 -0.706 -4.181 11.459 1.00 72.05 H new ATOM 0 HH11 ARG A 5 -4.198 -4.012 11.950 1.00 50.13 H new ATOM 0 HH12 ARG A 5 -4.221 -5.368 13.083 1.00 50.13 H new ATOM 0 HH21 ARG A 5 -0.742 -5.919 12.915 1.00 63.12 H new ATOM 0 HH22 ARG A 5 -2.271 -6.443 13.628 1.00 63.12 H new ATOM 83 N TYR A 6 1.471 -4.676 7.786 1.00 41.31 N ATOM 84 CA TYR A 6 2.042 -5.849 7.137 1.00 23.44 C ATOM 85 C TYR A 6 2.003 -7.059 8.064 1.00 42.41 C ATOM 86 O TYR A 6 2.232 -6.940 9.268 1.00 1.32 O ATOM 87 CB TYR A 6 3.482 -5.569 6.704 1.00 1.40 C ATOM 88 CG TYR A 6 3.666 -4.218 6.050 1.00 45.45 C ATOM 89 CD1 TYR A 6 3.227 -3.988 4.753 1.00 15.03 C ATOM 90 CD2 TYR A 6 4.279 -3.173 6.730 1.00 52.24 C ATOM 91 CE1 TYR A 6 3.394 -2.756 4.151 1.00 34.24 C ATOM 92 CE2 TYR A 6 4.449 -1.937 6.136 1.00 42.31 C ATOM 93 CZ TYR A 6 4.005 -1.733 4.846 1.00 43.24 C ATOM 94 OH TYR A 6 4.172 -0.504 4.251 1.00 61.14 O ATOM 0 H TYR A 6 1.652 -4.619 8.788 1.00 41.31 H new ATOM 0 HA TYR A 6 1.442 -6.072 6.255 1.00 23.44 H new ATOM 0 HB2 TYR A 6 4.134 -5.633 7.575 1.00 1.40 H new ATOM 0 HB3 TYR A 6 3.801 -6.346 6.009 1.00 1.40 H new ATOM 0 HD1 TYR A 6 2.747 -4.786 4.206 1.00 15.03 H new ATOM 0 HD2 TYR A 6 4.629 -3.329 7.740 1.00 52.24 H new ATOM 0 HE1 TYR A 6 3.048 -2.594 3.141 1.00 34.24 H new ATOM 0 HE2 TYR A 6 4.927 -1.135 6.679 1.00 42.31 H new ATOM 0 HH TYR A 6 3.449 -0.351 3.608 1.00 61.14 H new ATOM 103 N TYR A 7 1.714 -8.224 7.495 1.00 5.21 N ATOM 104 CA TYR A 7 1.643 -9.457 8.271 1.00 63.52 C ATOM 105 C TYR A 7 2.899 -10.301 8.068 1.00 15.42 C ATOM 106 O TYR A 7 3.834 -9.887 7.384 1.00 71.31 O ATOM 107 CB TYR A 7 0.405 -10.263 7.874 1.00 21.11 C ATOM 108 CG TYR A 7 -0.706 -10.211 8.900 1.00 63.43 C ATOM 109 CD1 TYR A 7 -1.221 -8.996 9.333 1.00 62.44 C ATOM 110 CD2 TYR A 7 -1.239 -11.378 9.434 1.00 30.42 C ATOM 111 CE1 TYR A 7 -2.235 -8.944 10.270 1.00 63.24 C ATOM 112 CE2 TYR A 7 -2.254 -11.335 10.370 1.00 13.20 C ATOM 113 CZ TYR A 7 -2.748 -10.116 10.785 1.00 51.55 C ATOM 114 OH TYR A 7 -3.759 -10.068 11.719 1.00 64.44 O ATOM 0 H TYR A 7 1.525 -8.341 6.499 1.00 5.21 H new ATOM 0 HA TYR A 7 1.572 -9.190 9.325 1.00 63.52 H new ATOM 0 HB2 TYR A 7 0.027 -9.888 6.923 1.00 21.11 H new ATOM 0 HB3 TYR A 7 0.694 -11.302 7.715 1.00 21.11 H new ATOM 0 HD1 TYR A 7 -0.822 -8.077 8.931 1.00 62.44 H new ATOM 0 HD2 TYR A 7 -0.853 -12.334 9.112 1.00 30.42 H new ATOM 0 HE1 TYR A 7 -2.624 -7.991 10.597 1.00 63.24 H new ATOM 0 HE2 TYR A 7 -2.659 -12.251 10.775 1.00 13.20 H new ATOM 0 HH TYR A 7 -4.008 -10.980 11.979 1.00 64.44 H new ATOM 123 N ALA A 8 2.910 -11.486 8.670 1.00 71.31 N ATOM 124 CA ALA A 8 4.048 -12.389 8.554 1.00 23.11 C ATOM 125 C ALA A 8 4.444 -12.591 7.095 1.00 74.11 C ATOM 126 O ALA A 8 5.622 -12.758 6.777 1.00 14.32 O ATOM 127 CB ALA A 8 3.728 -13.726 9.206 1.00 52.34 C ATOM 0 H ALA A 8 2.145 -11.842 9.242 1.00 71.31 H new ATOM 0 HA ALA A 8 4.893 -11.937 9.072 1.00 23.11 H new ATOM 0 HB1 ALA A 8 4.586 -14.391 9.112 1.00 52.34 H new ATOM 0 HB2 ALA A 8 3.502 -13.571 10.261 1.00 52.34 H new ATOM 0 HB3 ALA A 8 2.866 -14.174 8.712 1.00 52.34 H new ATOM 133 N THR A 9 3.452 -12.575 6.210 1.00 33.12 N ATOM 134 CA THR A 9 3.696 -12.758 4.785 1.00 75.24 C ATOM 135 C THR A 9 4.663 -11.705 4.253 1.00 13.21 C ATOM 136 O THR A 9 5.546 -12.008 3.450 1.00 41.43 O ATOM 137 CB THR A 9 2.386 -12.690 3.977 1.00 51.13 C ATOM 138 OG1 THR A 9 1.467 -11.793 4.610 1.00 23.10 O ATOM 139 CG2 THR A 9 1.756 -14.069 3.855 1.00 2.24 C ATOM 0 H THR A 9 2.472 -12.437 6.456 1.00 33.12 H new ATOM 0 HA THR A 9 4.137 -13.747 4.665 1.00 75.24 H new ATOM 0 HB THR A 9 2.618 -12.324 2.977 1.00 51.13 H new ATOM 0 HG1 THR A 9 0.792 -11.504 3.961 1.00 23.10 H new ATOM 0 HG21 THR A 9 0.832 -13.997 3.281 1.00 2.24 H new ATOM 0 HG22 THR A 9 2.448 -14.741 3.347 1.00 2.24 H new ATOM 0 HG23 THR A 9 1.536 -14.458 4.849 1.00 2.24 H new ATOM 147 N LEU A 10 4.490 -10.468 4.707 1.00 20.45 N ATOM 148 CA LEU A 10 5.348 -9.369 4.276 1.00 61.23 C ATOM 149 C LEU A 10 6.326 -8.978 5.379 1.00 2.51 C ATOM 150 O LEU A 10 6.644 -7.801 5.552 1.00 44.34 O ATOM 151 CB LEU A 10 4.500 -8.160 3.878 1.00 72.51 C ATOM 152 CG LEU A 10 3.653 -8.322 2.616 1.00 21.23 C ATOM 153 CD1 LEU A 10 2.412 -9.152 2.909 1.00 21.25 C ATOM 154 CD2 LEU A 10 3.266 -6.961 2.055 1.00 25.34 C ATOM 0 H LEU A 10 3.765 -10.201 5.372 1.00 20.45 H new ATOM 0 HA LEU A 10 5.920 -9.704 3.411 1.00 61.23 H new ATOM 0 HB2 LEU A 10 3.837 -7.917 4.708 1.00 72.51 H new ATOM 0 HB3 LEU A 10 5.163 -7.306 3.740 1.00 72.51 H new ATOM 0 HG LEU A 10 4.247 -8.846 1.867 1.00 21.23 H new ATOM 0 HD11 LEU A 10 1.821 -9.257 1.999 1.00 21.25 H new ATOM 0 HD12 LEU A 10 2.710 -10.139 3.264 1.00 21.25 H new ATOM 0 HD13 LEU A 10 1.815 -8.656 3.674 1.00 21.25 H new ATOM 0 HD21 LEU A 10 2.663 -7.096 1.157 1.00 25.34 H new ATOM 0 HD22 LEU A 10 2.690 -6.411 2.799 1.00 25.34 H new ATOM 0 HD23 LEU A 10 4.167 -6.400 1.807 1.00 25.34 H new ATOM 165 N ARG A 11 6.800 -9.972 6.122 1.00 41.53 N ATOM 166 CA ARG A 11 7.742 -9.732 7.209 1.00 42.24 C ATOM 167 C ARG A 11 9.091 -9.270 6.667 1.00 62.42 C ATOM 168 O ARG A 11 9.599 -8.204 7.018 1.00 5.35 O ATOM 169 CB ARG A 11 7.924 -11.000 8.045 1.00 51.11 C ATOM 170 CG ARG A 11 9.281 -11.093 8.723 1.00 43.30 C ATOM 171 CD ARG A 11 9.516 -9.921 9.664 1.00 11.43 C ATOM 172 NE ARG A 11 8.674 -9.999 10.855 1.00 52.31 N ATOM 173 CZ ARG A 11 8.911 -10.821 11.871 1.00 33.21 C ATOM 174 NH1 ARG A 11 9.960 -11.632 11.840 1.00 33.22 N ATOM 175 NH2 ARG A 11 8.099 -10.834 12.920 1.00 73.32 N ATOM 0 H ARG A 11 6.547 -10.952 5.991 1.00 41.53 H new ATOM 0 HA ARG A 11 7.334 -8.944 7.842 1.00 42.24 H new ATOM 0 HB2 ARG A 11 7.144 -11.039 8.805 1.00 51.11 H new ATOM 0 HB3 ARG A 11 7.787 -11.871 7.404 1.00 51.11 H new ATOM 0 HG2 ARG A 11 9.347 -12.027 9.280 1.00 43.30 H new ATOM 0 HG3 ARG A 11 10.066 -11.117 7.967 1.00 43.30 H new ATOM 0 HD2 ARG A 11 10.564 -9.900 9.962 1.00 11.43 H new ATOM 0 HD3 ARG A 11 9.315 -8.988 9.138 1.00 11.43 H new ATOM 0 HE ARG A 11 7.859 -9.388 10.909 1.00 52.31 H new ATOM 0 HH11 ARG A 11 10.586 -11.625 11.035 1.00 33.22 H new ATOM 0 HH12 ARG A 11 10.140 -12.263 12.621 1.00 33.22 H new ATOM 0 HH21 ARG A 11 7.291 -10.212 12.947 1.00 73.32 H new ATOM 0 HH22 ARG A 11 8.283 -11.466 13.699 1.00 73.32 H new ATOM 186 N PRO A 12 9.689 -10.090 5.789 1.00 72.24 N ATOM 187 CA PRO A 12 10.987 -9.787 5.179 1.00 22.32 C ATOM 188 C PRO A 12 10.906 -8.629 4.190 1.00 55.03 C ATOM 189 O PRO A 12 11.925 -8.172 3.670 1.00 40.25 O ATOM 190 CB PRO A 12 11.349 -11.085 4.454 1.00 63.44 C ATOM 191 CG PRO A 12 10.042 -11.742 4.176 1.00 42.12 C ATOM 192 CD PRO A 12 9.143 -11.376 5.325 1.00 23.12 C ATOM 0 HA PRO A 12 11.724 -9.477 5.920 1.00 22.32 H new ATOM 0 HB2 PRO A 12 11.895 -10.884 3.532 1.00 63.44 H new ATOM 0 HB3 PRO A 12 11.987 -11.718 5.071 1.00 63.44 H new ATOM 0 HG2 PRO A 12 9.625 -11.398 3.229 1.00 42.12 H new ATOM 0 HG3 PRO A 12 10.157 -12.823 4.099 1.00 42.12 H new ATOM 0 HD2 PRO A 12 8.104 -11.281 5.008 1.00 23.12 H new ATOM 0 HD3 PRO A 12 9.168 -12.130 6.111 1.00 23.12 H new ATOM 197 N ILE A 13 9.691 -8.158 3.936 1.00 15.22 N ATOM 198 CA ILE A 13 9.478 -7.051 3.012 1.00 24.51 C ATOM 199 C ILE A 13 9.605 -5.708 3.722 1.00 4.14 C ATOM 200 O ILE A 13 10.523 -4.933 3.453 1.00 23.32 O ATOM 201 CB ILE A 13 8.095 -7.136 2.340 1.00 71.34 C ATOM 202 CG1 ILE A 13 7.730 -8.595 2.057 1.00 31.22 C ATOM 203 CG2 ILE A 13 8.079 -6.321 1.054 1.00 42.14 C ATOM 204 CD1 ILE A 13 8.704 -9.294 1.136 1.00 44.22 C ATOM 0 H ILE A 13 8.838 -8.526 4.357 1.00 15.22 H new ATOM 0 HA ILE A 13 10.250 -7.128 2.246 1.00 24.51 H new ATOM 0 HB ILE A 13 7.351 -6.720 3.020 1.00 71.34 H new ATOM 0 HG12 ILE A 13 7.681 -9.138 3.001 1.00 31.22 H new ATOM 0 HG13 ILE A 13 6.734 -8.633 1.615 1.00 31.22 H new ATOM 0 HG21 ILE A 13 7.095 -6.391 0.591 1.00 42.14 H new ATOM 0 HG22 ILE A 13 8.299 -5.278 1.281 1.00 42.14 H new ATOM 0 HG23 ILE A 13 8.831 -6.709 0.368 1.00 42.14 H new ATOM 0 HD11 ILE A 13 8.382 -10.324 0.980 1.00 44.22 H new ATOM 0 HD12 ILE A 13 8.736 -8.775 0.178 1.00 44.22 H new ATOM 0 HD13 ILE A 13 9.697 -9.288 1.585 1.00 44.22 H new ATOM 215 N THR A 14 8.676 -5.438 4.635 1.00 22.30 N ATOM 216 CA THR A 14 8.683 -4.189 5.386 1.00 65.54 C ATOM 217 C THR A 14 9.728 -4.221 6.496 1.00 33.25 C ATOM 218 O THR A 14 10.063 -3.188 7.076 1.00 62.02 O ATOM 219 CB THR A 14 7.303 -3.898 6.004 1.00 14.21 C ATOM 220 OG1 THR A 14 7.258 -2.553 6.494 1.00 62.35 O ATOM 221 CG2 THR A 14 7.003 -4.866 7.139 1.00 40.10 C ATOM 0 H THR A 14 7.910 -6.068 4.872 1.00 22.30 H new ATOM 0 HA THR A 14 8.931 -3.397 4.680 1.00 65.54 H new ATOM 0 HB THR A 14 6.549 -4.027 5.228 1.00 14.21 H new ATOM 0 HG1 THR A 14 6.352 -2.350 6.809 1.00 62.35 H new ATOM 0 HG21 THR A 14 6.023 -4.641 7.560 1.00 40.10 H new ATOM 0 HG22 THR A 14 7.008 -5.887 6.757 1.00 40.10 H new ATOM 0 HG23 THR A 14 7.763 -4.765 7.914 1.00 40.10 H new ATOM 229 N LYS A 15 10.240 -5.412 6.785 1.00 61.02 N ATOM 230 CA LYS A 15 11.249 -5.579 7.824 1.00 55.23 C ATOM 231 C LYS A 15 10.688 -5.208 9.193 1.00 53.23 C ATOM 232 O LYS A 15 11.296 -4.439 9.938 1.00 75.34 O ATOM 233 CB LYS A 15 12.477 -4.719 7.515 1.00 72.40 C ATOM 234 CG LYS A 15 12.935 -4.810 6.070 1.00 24.55 C ATOM 235 CD LYS A 15 14.265 -4.106 5.860 1.00 15.04 C ATOM 236 CE LYS A 15 14.142 -2.606 6.083 1.00 50.42 C ATOM 237 NZ LYS A 15 13.388 -1.941 4.986 1.00 14.44 N ATOM 0 H LYS A 15 9.973 -6.276 6.314 1.00 61.02 H new ATOM 0 HA LYS A 15 11.543 -6.628 7.843 1.00 55.23 H new ATOM 0 HB2 LYS A 15 12.251 -3.679 7.751 1.00 72.40 H new ATOM 0 HB3 LYS A 15 13.296 -5.023 8.167 1.00 72.40 H new ATOM 0 HG2 LYS A 15 13.027 -5.857 5.782 1.00 24.55 H new ATOM 0 HG3 LYS A 15 12.181 -4.366 5.420 1.00 24.55 H new ATOM 0 HD2 LYS A 15 15.008 -4.517 6.544 1.00 15.04 H new ATOM 0 HD3 LYS A 15 14.623 -4.297 4.848 1.00 15.04 H new ATOM 0 HE2 LYS A 15 13.640 -2.420 7.033 1.00 50.42 H new ATOM 0 HE3 LYS A 15 15.137 -2.167 6.157 1.00 50.42 H new ATOM 0 HZ1 LYS A 15 13.428 -0.910 5.113 1.00 14.44 H new ATOM 0 HZ2 LYS A 15 13.812 -2.194 4.071 1.00 14.44 H new ATOM 0 HZ3 LYS A 15 12.396 -2.254 5.007 1.00 14.44 H new ATOM 247 N LYS A 16 9.524 -5.759 9.519 1.00 11.32 N ATOM 248 CA LYS A 16 8.881 -5.489 10.799 1.00 52.42 C ATOM 249 C LYS A 16 9.023 -4.019 11.179 1.00 54.43 C ATOM 250 O LYS A 16 9.277 -3.687 12.338 1.00 44.24 O ATOM 251 CB LYS A 16 9.486 -6.371 11.894 1.00 31.22 C ATOM 252 CG LYS A 16 10.955 -6.089 12.159 1.00 4.53 C ATOM 253 CD LYS A 16 11.396 -6.645 13.502 1.00 62.12 C ATOM 254 CE LYS A 16 12.901 -6.860 13.550 1.00 1.33 C ATOM 255 NZ LYS A 16 13.325 -7.539 14.805 1.00 55.50 N ATOM 0 H LYS A 16 9.006 -6.396 8.914 1.00 11.32 H new ATOM 0 HA LYS A 16 7.820 -5.720 10.700 1.00 52.42 H new ATOM 0 HB2 LYS A 16 8.925 -6.226 12.817 1.00 31.22 H new ATOM 0 HB3 LYS A 16 9.371 -7.417 11.611 1.00 31.22 H new ATOM 0 HG2 LYS A 16 11.560 -6.529 11.366 1.00 4.53 H new ATOM 0 HG3 LYS A 16 11.130 -5.013 12.134 1.00 4.53 H new ATOM 0 HD2 LYS A 16 11.100 -5.959 14.296 1.00 62.12 H new ATOM 0 HD3 LYS A 16 10.886 -7.590 13.691 1.00 62.12 H new ATOM 0 HE2 LYS A 16 13.210 -7.457 12.692 1.00 1.33 H new ATOM 0 HE3 LYS A 16 13.408 -5.898 13.468 1.00 1.33 H new ATOM 0 HZ1 LYS A 16 14.357 -7.667 14.799 1.00 55.50 H new ATOM 0 HZ2 LYS A 16 13.053 -6.957 15.623 1.00 55.50 H new ATOM 0 HZ3 LYS A 16 12.861 -8.468 14.871 1.00 55.50 H new ATOM 265 N LYS A 17 8.857 -3.139 10.198 1.00 3.44 N ATOM 266 CA LYS A 17 8.963 -1.703 10.430 1.00 65.31 C ATOM 267 C LYS A 17 7.798 -0.960 9.783 1.00 55.04 C ATOM 268 O LYS A 17 7.788 -0.737 8.574 1.00 34.23 O ATOM 269 CB LYS A 17 10.289 -1.174 9.877 1.00 1.42 C ATOM 270 CG LYS A 17 11.467 -1.393 10.810 1.00 2.40 C ATOM 271 CD LYS A 17 11.392 -0.486 12.027 1.00 23.21 C ATOM 272 CE LYS A 17 12.245 -1.014 13.170 1.00 61.41 C ATOM 273 NZ LYS A 17 13.689 -0.705 12.972 1.00 2.21 N ATOM 0 H LYS A 17 8.648 -3.395 9.233 1.00 3.44 H new ATOM 0 HA LYS A 17 8.929 -1.530 11.506 1.00 65.31 H new ATOM 0 HB2 LYS A 17 10.496 -1.661 8.924 1.00 1.42 H new ATOM 0 HB3 LYS A 17 10.189 -0.107 9.675 1.00 1.42 H new ATOM 0 HG2 LYS A 17 11.488 -2.434 11.132 1.00 2.40 H new ATOM 0 HG3 LYS A 17 12.397 -1.206 10.273 1.00 2.40 H new ATOM 0 HD2 LYS A 17 11.725 0.516 11.756 1.00 23.21 H new ATOM 0 HD3 LYS A 17 10.356 -0.400 12.355 1.00 23.21 H new ATOM 0 HE2 LYS A 17 11.905 -0.577 14.109 1.00 61.41 H new ATOM 0 HE3 LYS A 17 12.112 -2.093 13.254 1.00 61.41 H new ATOM 0 HZ1 LYS A 17 14.237 -1.081 13.772 1.00 2.21 H new ATOM 0 HZ2 LYS A 17 14.020 -1.143 12.089 1.00 2.21 H new ATOM 0 HZ3 LYS A 17 13.819 0.325 12.917 1.00 2.21 H new ATOM 283 N GLU A 18 6.820 -0.578 10.599 1.00 65.13 N ATOM 284 CA GLU A 18 5.652 0.141 10.106 1.00 51.10 C ATOM 285 C GLU A 18 5.686 1.601 10.546 1.00 1.41 C ATOM 286 O GLU A 18 6.122 1.916 11.653 1.00 0.34 O ATOM 287 CB GLU A 18 4.368 -0.525 10.605 1.00 13.54 C ATOM 288 CG GLU A 18 3.113 0.283 10.319 1.00 13.20 C ATOM 289 CD GLU A 18 1.862 -0.363 10.882 1.00 50.24 C ATOM 290 OE1 GLU A 18 1.835 -1.606 10.994 1.00 4.10 O ATOM 291 OE2 GLU A 18 0.910 0.375 11.212 1.00 32.43 O ATOM 0 H GLU A 18 6.814 -0.755 11.604 1.00 65.13 H new ATOM 0 HA GLU A 18 5.670 0.108 9.017 1.00 51.10 H new ATOM 0 HB2 GLU A 18 4.273 -1.506 10.139 1.00 13.54 H new ATOM 0 HB3 GLU A 18 4.448 -0.689 11.680 1.00 13.54 H new ATOM 0 HG2 GLU A 18 3.224 1.281 10.742 1.00 13.20 H new ATOM 0 HG3 GLU A 18 3.001 0.404 9.242 1.00 13.20 H new ATOM 296 N GLU A 19 5.222 2.488 9.672 1.00 31.52 N ATOM 297 CA GLU A 19 5.201 3.915 9.969 1.00 15.22 C ATOM 298 C GLU A 19 4.143 4.630 9.133 1.00 73.02 C ATOM 299 O GLU A 19 3.660 4.098 8.133 1.00 44.12 O ATOM 300 CB GLU A 19 6.576 4.534 9.711 1.00 25.44 C ATOM 301 CG GLU A 19 6.804 5.841 10.451 1.00 65.54 C ATOM 302 CD GLU A 19 8.224 6.354 10.302 1.00 40.52 C ATOM 303 OE1 GLU A 19 8.578 6.806 9.194 1.00 62.53 O ATOM 304 OE2 GLU A 19 8.980 6.304 11.296 1.00 70.02 O ATOM 0 H GLU A 19 4.855 2.243 8.752 1.00 31.52 H new ATOM 0 HA GLU A 19 4.949 4.036 11.023 1.00 15.22 H new ATOM 0 HB2 GLU A 19 7.347 3.821 10.004 1.00 25.44 H new ATOM 0 HB3 GLU A 19 6.692 4.707 8.641 1.00 25.44 H new ATOM 0 HG2 GLU A 19 6.109 6.592 10.077 1.00 65.54 H new ATOM 0 HG3 GLU A 19 6.582 5.699 11.509 1.00 65.54 H new ATOM 309 N THR A 20 3.786 5.841 9.550 1.00 74.23 N ATOM 310 CA THR A 20 2.785 6.629 8.842 1.00 71.43 C ATOM 311 C THR A 20 3.440 7.690 7.965 1.00 31.52 C ATOM 312 O THR A 20 4.585 8.082 8.197 1.00 24.15 O ATOM 313 CB THR A 20 1.816 7.317 9.822 1.00 3.04 C ATOM 314 OG1 THR A 20 2.542 7.860 10.929 1.00 41.43 O ATOM 315 CG2 THR A 20 0.770 6.335 10.327 1.00 31.22 C ATOM 0 H THR A 20 4.176 6.297 10.375 1.00 74.23 H new ATOM 0 HA THR A 20 2.225 5.937 8.213 1.00 71.43 H new ATOM 0 HB THR A 20 1.309 8.123 9.291 1.00 3.04 H new ATOM 0 HG1 THR A 20 2.113 8.689 11.227 1.00 41.43 H new ATOM 0 HG21 THR A 20 0.097 6.843 11.017 1.00 31.22 H new ATOM 0 HG22 THR A 20 0.199 5.946 9.484 1.00 31.22 H new ATOM 0 HG23 THR A 20 1.263 5.511 10.842 1.00 31.22 H new ATOM 323 N PHE A 21 2.708 8.152 6.957 1.00 64.54 N ATOM 324 CA PHE A 21 3.219 9.168 6.044 1.00 21.02 C ATOM 325 C PHE A 21 2.206 10.293 5.861 1.00 12.24 C ATOM 326 O PHE A 21 0.998 10.061 5.858 1.00 14.53 O ATOM 327 CB PHE A 21 3.553 8.543 4.688 1.00 22.11 C ATOM 328 CG PHE A 21 4.546 7.419 4.774 1.00 24.35 C ATOM 329 CD1 PHE A 21 5.711 7.560 5.510 1.00 20.13 C ATOM 330 CD2 PHE A 21 4.313 6.219 4.120 1.00 11.34 C ATOM 331 CE1 PHE A 21 6.625 6.528 5.589 1.00 53.15 C ATOM 332 CE2 PHE A 21 5.223 5.182 4.197 1.00 14.32 C ATOM 333 CZ PHE A 21 6.381 5.337 4.934 1.00 51.04 C ATOM 0 H PHE A 21 1.759 7.839 6.752 1.00 64.54 H new ATOM 0 HA PHE A 21 4.127 9.587 6.478 1.00 21.02 H new ATOM 0 HB2 PHE A 21 2.635 8.172 4.232 1.00 22.11 H new ATOM 0 HB3 PHE A 21 3.947 9.316 4.028 1.00 22.11 H new ATOM 0 HD1 PHE A 21 5.907 8.487 6.028 1.00 20.13 H new ATOM 0 HD2 PHE A 21 3.409 6.093 3.543 1.00 11.34 H new ATOM 0 HE1 PHE A 21 7.531 6.652 6.163 1.00 53.15 H new ATOM 0 HE2 PHE A 21 5.029 4.253 3.682 1.00 14.32 H new ATOM 0 HZ PHE A 21 7.094 4.528 4.998 1.00 51.04 H new ATOM 342 N ASN A 22 2.708 11.515 5.709 1.00 41.32 N ATOM 343 CA ASN A 22 1.847 12.678 5.528 1.00 51.12 C ATOM 344 C ASN A 22 2.183 13.407 4.231 1.00 65.53 C ATOM 345 O ASN A 22 3.276 13.253 3.685 1.00 44.23 O ATOM 346 CB ASN A 22 1.989 13.634 6.714 1.00 42.53 C ATOM 347 CG ASN A 22 3.430 13.791 7.160 1.00 14.42 C ATOM 348 OD1 ASN A 22 4.272 14.292 6.414 1.00 0.14 O ATOM 349 ND2 ASN A 22 3.720 13.363 8.384 1.00 34.01 N ATOM 0 H ASN A 22 3.706 11.725 5.708 1.00 41.32 H new ATOM 0 HA ASN A 22 0.816 12.330 5.472 1.00 51.12 H new ATOM 0 HB2 ASN A 22 1.588 14.610 6.441 1.00 42.53 H new ATOM 0 HB3 ASN A 22 1.391 13.266 7.548 1.00 42.53 H new ATOM 0 HD21 ASN A 22 4.672 13.443 8.740 1.00 34.01 H new ATOM 0 HD22 ASN A 22 2.990 12.954 8.968 1.00 34.01 H new ATOM 355 N GLY A 23 1.237 14.203 3.742 1.00 43.11 N ATOM 356 CA GLY A 23 1.453 14.944 2.513 1.00 3.32 C ATOM 357 C GLY A 23 0.312 14.779 1.529 1.00 2.04 C ATOM 358 O GLY A 23 -0.436 15.723 1.272 1.00 64.20 O ATOM 0 H GLY A 23 0.325 14.348 4.175 1.00 43.11 H new ATOM 0 HA2 GLY A 23 1.577 16.001 2.747 1.00 3.32 H new ATOM 0 HA3 GLY A 23 2.381 14.609 2.049 1.00 3.32 H new ATOM 362 N ILE A 24 0.177 13.578 0.976 1.00 41.24 N ATOM 363 CA ILE A 24 -0.881 13.293 0.015 1.00 35.42 C ATOM 364 C ILE A 24 -1.964 12.416 0.632 1.00 14.31 C ATOM 365 O ILE A 24 -1.675 11.519 1.424 1.00 21.51 O ATOM 366 CB ILE A 24 -0.327 12.597 -1.243 1.00 11.53 C ATOM 367 CG1 ILE A 24 0.706 13.489 -1.933 1.00 34.25 C ATOM 368 CG2 ILE A 24 -1.459 12.251 -2.198 1.00 32.20 C ATOM 369 CD1 ILE A 24 0.127 14.778 -2.473 1.00 32.23 C ATOM 0 H ILE A 24 0.788 12.786 1.177 1.00 41.24 H new ATOM 0 HA ILE A 24 -1.313 14.252 -0.271 1.00 35.42 H new ATOM 0 HB ILE A 24 0.164 11.672 -0.942 1.00 11.53 H new ATOM 0 HG12 ILE A 24 1.500 13.725 -1.225 1.00 34.25 H new ATOM 0 HG13 ILE A 24 1.164 12.934 -2.752 1.00 34.25 H new ATOM 0 HG21 ILE A 24 -1.052 11.760 -3.082 1.00 32.20 H new ATOM 0 HG22 ILE A 24 -2.162 11.581 -1.702 1.00 32.20 H new ATOM 0 HG23 ILE A 24 -1.976 13.163 -2.495 1.00 32.20 H new ATOM 0 HD11 ILE A 24 0.916 15.360 -2.949 1.00 32.23 H new ATOM 0 HD12 ILE A 24 -0.648 14.550 -3.205 1.00 32.23 H new ATOM 0 HD13 ILE A 24 -0.305 15.354 -1.655 1.00 32.23 H new ATOM 380 N SER A 25 -3.214 12.682 0.266 1.00 20.23 N ATOM 381 CA SER A 25 -4.342 11.918 0.785 1.00 10.34 C ATOM 382 C SER A 25 -5.007 11.108 -0.324 1.00 41.20 C ATOM 383 O SER A 25 -6.208 11.231 -0.565 1.00 20.23 O ATOM 384 CB SER A 25 -5.365 12.854 1.432 1.00 71.20 C ATOM 385 OG SER A 25 -5.426 14.092 0.747 1.00 32.15 O ATOM 0 H SER A 25 -3.471 13.421 -0.388 1.00 20.23 H new ATOM 0 HA SER A 25 -3.964 11.227 1.539 1.00 10.34 H new ATOM 0 HB2 SER A 25 -6.348 12.383 1.427 1.00 71.20 H new ATOM 0 HB3 SER A 25 -5.098 13.024 2.475 1.00 71.20 H new ATOM 0 HG SER A 25 -6.088 14.672 1.178 1.00 32.15 H new ATOM 390 N LYS A 26 -4.216 10.278 -0.997 1.00 14.11 N ATOM 391 CA LYS A 26 -4.726 9.446 -2.081 1.00 72.01 C ATOM 392 C LYS A 26 -3.901 8.170 -2.220 1.00 54.01 C ATOM 393 O LYS A 26 -2.721 8.142 -1.871 1.00 73.43 O ATOM 394 CB LYS A 26 -4.709 10.224 -3.399 1.00 4.24 C ATOM 395 CG LYS A 26 -5.614 11.443 -3.397 1.00 14.24 C ATOM 396 CD LYS A 26 -5.731 12.053 -4.784 1.00 11.32 C ATOM 397 CE LYS A 26 -6.885 11.443 -5.566 1.00 53.40 C ATOM 398 NZ LYS A 26 -8.197 12.020 -5.160 1.00 44.44 N ATOM 0 H LYS A 26 -3.220 10.164 -0.811 1.00 14.11 H new ATOM 0 HA LYS A 26 -5.753 9.170 -1.843 1.00 72.01 H new ATOM 0 HB2 LYS A 26 -3.688 10.540 -3.611 1.00 4.24 H new ATOM 0 HB3 LYS A 26 -5.011 9.559 -4.208 1.00 4.24 H new ATOM 0 HG2 LYS A 26 -6.604 11.162 -3.038 1.00 14.24 H new ATOM 0 HG3 LYS A 26 -5.222 12.187 -2.703 1.00 14.24 H new ATOM 0 HD2 LYS A 26 -5.877 13.130 -4.698 1.00 11.32 H new ATOM 0 HD3 LYS A 26 -4.800 11.901 -5.329 1.00 11.32 H new ATOM 0 HE2 LYS A 26 -6.729 11.609 -6.632 1.00 53.40 H new ATOM 0 HE3 LYS A 26 -6.899 10.364 -5.410 1.00 53.40 H new ATOM 0 HZ1 LYS A 26 -8.936 11.292 -5.238 1.00 44.44 H new ATOM 0 HZ2 LYS A 26 -8.141 12.352 -4.176 1.00 44.44 H new ATOM 0 HZ3 LYS A 26 -8.432 12.820 -5.782 1.00 44.44 H new ATOM 408 N ILE A 27 -4.530 7.119 -2.734 1.00 51.04 N ATOM 409 CA ILE A 27 -3.852 5.842 -2.921 1.00 24.35 C ATOM 410 C ILE A 27 -2.816 5.928 -4.037 1.00 71.11 C ATOM 411 O ILE A 27 -1.805 5.225 -4.015 1.00 2.44 O ATOM 412 CB ILE A 27 -4.853 4.717 -3.251 1.00 33.30 C ATOM 413 CG1 ILE A 27 -5.603 4.286 -1.990 1.00 72.32 C ATOM 414 CG2 ILE A 27 -4.131 3.533 -3.876 1.00 50.44 C ATOM 415 CD1 ILE A 27 -4.729 3.577 -0.979 1.00 60.50 C ATOM 0 H ILE A 27 -5.507 7.126 -3.028 1.00 51.04 H new ATOM 0 HA ILE A 27 -3.352 5.609 -1.981 1.00 24.35 H new ATOM 0 HB ILE A 27 -5.579 5.096 -3.970 1.00 33.30 H new ATOM 0 HG12 ILE A 27 -6.046 5.165 -1.522 1.00 72.32 H new ATOM 0 HG13 ILE A 27 -6.425 3.628 -2.273 1.00 72.32 H new ATOM 0 HG21 ILE A 27 -4.851 2.747 -4.103 1.00 50.44 H new ATOM 0 HG22 ILE A 27 -3.638 3.851 -4.795 1.00 50.44 H new ATOM 0 HG23 ILE A 27 -3.386 3.152 -3.178 1.00 50.44 H new ATOM 0 HD11 ILE A 27 -5.328 3.301 -0.111 1.00 60.50 H new ATOM 0 HD12 ILE A 27 -4.307 2.679 -1.430 1.00 60.50 H new ATOM 0 HD13 ILE A 27 -3.922 4.240 -0.667 1.00 60.50 H new ATOM 426 N SER A 28 -3.072 6.795 -5.010 1.00 35.13 N ATOM 427 CA SER A 28 -2.162 6.973 -6.136 1.00 1.50 C ATOM 428 C SER A 28 -0.740 7.232 -5.648 1.00 13.31 C ATOM 429 O SER A 28 0.199 6.547 -6.049 1.00 64.13 O ATOM 430 CB SER A 28 -2.630 8.131 -7.019 1.00 23.21 C ATOM 431 OG SER A 28 -1.528 8.812 -7.594 1.00 41.42 O ATOM 0 H SER A 28 -3.903 7.386 -5.042 1.00 35.13 H new ATOM 0 HA SER A 28 -2.165 6.055 -6.723 1.00 1.50 H new ATOM 0 HB2 SER A 28 -3.279 7.751 -7.808 1.00 23.21 H new ATOM 0 HB3 SER A 28 -3.223 8.828 -6.426 1.00 23.21 H new ATOM 0 HG SER A 28 -1.854 9.546 -8.155 1.00 41.42 H new ATOM 436 N GLU A 29 -0.591 8.228 -4.780 1.00 34.35 N ATOM 437 CA GLU A 29 0.717 8.580 -4.239 1.00 42.31 C ATOM 438 C GLU A 29 1.172 7.552 -3.206 1.00 30.11 C ATOM 439 O GLU A 29 2.368 7.305 -3.045 1.00 21.00 O ATOM 440 CB GLU A 29 0.674 9.972 -3.605 1.00 11.33 C ATOM 441 CG GLU A 29 1.068 11.087 -4.558 1.00 11.51 C ATOM 442 CD GLU A 29 2.499 11.548 -4.357 1.00 65.32 C ATOM 443 OE1 GLU A 29 3.292 10.782 -3.770 1.00 4.11 O ATOM 444 OE2 GLU A 29 2.825 12.674 -4.787 1.00 63.31 O ATOM 0 H GLU A 29 -1.359 8.805 -4.437 1.00 34.35 H new ATOM 0 HA GLU A 29 1.433 8.586 -5.061 1.00 42.31 H new ATOM 0 HB2 GLU A 29 -0.333 10.162 -3.234 1.00 11.33 H new ATOM 0 HB3 GLU A 29 1.340 9.990 -2.743 1.00 11.33 H new ATOM 0 HG2 GLU A 29 0.942 10.744 -5.585 1.00 11.51 H new ATOM 0 HG3 GLU A 29 0.395 11.933 -4.420 1.00 11.51 H new ATOM 449 N LEU A 30 0.211 6.957 -2.509 1.00 3.34 N ATOM 450 CA LEU A 30 0.511 5.956 -1.491 1.00 22.34 C ATOM 451 C LEU A 30 1.217 4.751 -2.105 1.00 52.34 C ATOM 452 O LEU A 30 2.273 4.330 -1.631 1.00 71.45 O ATOM 453 CB LEU A 30 -0.775 5.508 -0.794 1.00 52.24 C ATOM 454 CG LEU A 30 -0.603 4.875 0.587 1.00 51.21 C ATOM 455 CD1 LEU A 30 -1.956 4.645 1.241 1.00 4.43 C ATOM 456 CD2 LEU A 30 0.171 3.569 0.483 1.00 30.33 C ATOM 0 H LEU A 30 -0.783 7.150 -2.630 1.00 3.34 H new ATOM 0 HA LEU A 30 1.177 6.408 -0.756 1.00 22.34 H new ATOM 0 HB2 LEU A 30 -1.432 6.372 -0.696 1.00 52.24 H new ATOM 0 HB3 LEU A 30 -1.284 4.792 -1.439 1.00 52.24 H new ATOM 0 HG LEU A 30 -0.033 5.562 1.212 1.00 51.21 H new ATOM 0 HD11 LEU A 30 -1.813 4.194 2.223 1.00 4.43 H new ATOM 0 HD12 LEU A 30 -2.474 5.598 1.351 1.00 4.43 H new ATOM 0 HD13 LEU A 30 -2.552 3.978 0.618 1.00 4.43 H new ATOM 0 HD21 LEU A 30 0.284 3.133 1.476 1.00 30.33 H new ATOM 0 HD22 LEU A 30 -0.371 2.875 -0.159 1.00 30.33 H new ATOM 0 HD23 LEU A 30 1.156 3.763 0.058 1.00 30.33 H new ATOM 467 N LEU A 31 0.628 4.202 -3.161 1.00 64.43 N ATOM 468 CA LEU A 31 1.202 3.046 -3.842 1.00 52.42 C ATOM 469 C LEU A 31 2.560 3.388 -4.445 1.00 52.34 C ATOM 470 O LEU A 31 3.543 2.681 -4.223 1.00 74.44 O ATOM 471 CB LEU A 31 0.255 2.552 -4.937 1.00 21.24 C ATOM 472 CG LEU A 31 -0.783 1.514 -4.509 1.00 32.00 C ATOM 473 CD1 LEU A 31 -1.745 1.220 -5.649 1.00 24.31 C ATOM 474 CD2 LEU A 31 -0.100 0.237 -4.042 1.00 23.45 C ATOM 0 H LEU A 31 -0.246 4.538 -3.565 1.00 64.43 H new ATOM 0 HA LEU A 31 1.341 2.254 -3.106 1.00 52.42 H new ATOM 0 HB2 LEU A 31 -0.271 3.413 -5.350 1.00 21.24 H new ATOM 0 HB3 LEU A 31 0.854 2.127 -5.743 1.00 21.24 H new ATOM 0 HG LEU A 31 -1.354 1.922 -3.675 1.00 32.00 H new ATOM 0 HD11 LEU A 31 -2.476 0.479 -5.326 1.00 24.31 H new ATOM 0 HD12 LEU A 31 -2.260 2.137 -5.936 1.00 24.31 H new ATOM 0 HD13 LEU A 31 -1.189 0.833 -6.503 1.00 24.31 H new ATOM 0 HD21 LEU A 31 -0.854 -0.490 -3.741 1.00 23.45 H new ATOM 0 HD22 LEU A 31 0.497 -0.175 -4.856 1.00 23.45 H new ATOM 0 HD23 LEU A 31 0.547 0.460 -3.194 1.00 23.45 H new ATOM 485 N GLU A 32 2.609 4.477 -5.205 1.00 11.24 N ATOM 486 CA GLU A 32 3.848 4.913 -5.838 1.00 0.44 C ATOM 487 C GLU A 32 4.945 5.120 -4.798 1.00 52.21 C ATOM 488 O GLU A 32 6.105 4.776 -5.027 1.00 21.43 O ATOM 489 CB GLU A 32 3.619 6.208 -6.619 1.00 11.43 C ATOM 490 CG GLU A 32 3.536 6.005 -8.123 1.00 3.32 C ATOM 491 CD GLU A 32 4.789 5.375 -8.697 1.00 71.33 C ATOM 492 OE1 GLU A 32 4.864 4.129 -8.732 1.00 24.12 O ATOM 493 OE2 GLU A 32 5.696 6.128 -9.109 1.00 63.14 O ATOM 0 H GLU A 32 1.805 5.074 -5.397 1.00 11.24 H new ATOM 0 HA GLU A 32 4.168 4.133 -6.529 1.00 0.44 H new ATOM 0 HB2 GLU A 32 2.696 6.673 -6.272 1.00 11.43 H new ATOM 0 HB3 GLU A 32 4.429 6.903 -6.399 1.00 11.43 H new ATOM 0 HG2 GLU A 32 2.678 5.373 -8.354 1.00 3.32 H new ATOM 0 HG3 GLU A 32 3.363 6.966 -8.607 1.00 3.32 H new ATOM 498 N ARG A 33 4.571 5.685 -3.655 1.00 2.50 N ATOM 499 CA ARG A 33 5.524 5.940 -2.581 1.00 11.23 C ATOM 500 C ARG A 33 5.958 4.635 -1.918 1.00 34.13 C ATOM 501 O ARG A 33 7.151 4.379 -1.751 1.00 32.21 O ATOM 502 CB ARG A 33 4.909 6.875 -1.537 1.00 42.14 C ATOM 503 CG ARG A 33 4.927 8.339 -1.945 1.00 31.43 C ATOM 504 CD ARG A 33 6.192 9.036 -1.470 1.00 4.40 C ATOM 505 NE ARG A 33 6.286 9.065 -0.013 1.00 4.13 N ATOM 506 CZ ARG A 33 7.420 9.265 0.647 1.00 34.21 C ATOM 507 NH1 ARG A 33 8.552 9.454 -0.017 1.00 51.23 N ATOM 508 NH2 ARG A 33 7.425 9.278 1.974 1.00 1.54 N ATOM 0 H ARG A 33 3.615 5.975 -3.449 1.00 2.50 H new ATOM 0 HA ARG A 33 6.403 6.417 -3.014 1.00 11.23 H new ATOM 0 HB2 ARG A 33 3.879 6.571 -1.351 1.00 42.14 H new ATOM 0 HB3 ARG A 33 5.449 6.762 -0.597 1.00 42.14 H new ATOM 0 HG2 ARG A 33 4.854 8.416 -3.030 1.00 31.43 H new ATOM 0 HG3 ARG A 33 4.055 8.844 -1.530 1.00 31.43 H new ATOM 0 HD2 ARG A 33 7.063 8.525 -1.879 1.00 4.40 H new ATOM 0 HD3 ARG A 33 6.211 10.056 -1.855 1.00 4.40 H new ATOM 0 HE ARG A 33 5.433 8.924 0.528 1.00 4.13 H new ATOM 0 HH11 ARG A 33 8.552 9.446 -1.037 1.00 51.23 H new ATOM 0 HH12 ARG A 33 9.422 9.608 0.492 1.00 51.23 H new ATOM 0 HH21 ARG A 33 6.556 9.134 2.489 1.00 1.54 H new ATOM 0 HH22 ARG A 33 8.298 9.432 2.479 1.00 1.54 H new ATOM 519 N LEU A 34 4.982 3.816 -1.542 1.00 34.13 N ATOM 520 CA LEU A 34 5.263 2.538 -0.897 1.00 1.21 C ATOM 521 C LEU A 34 6.177 1.679 -1.765 1.00 3.01 C ATOM 522 O LEU A 34 7.111 1.049 -1.268 1.00 5.15 O ATOM 523 CB LEU A 34 3.959 1.791 -0.614 1.00 45.32 C ATOM 524 CG LEU A 34 3.533 1.716 0.854 1.00 21.40 C ATOM 525 CD1 LEU A 34 3.486 3.107 1.466 1.00 11.03 C ATOM 526 CD2 LEU A 34 2.182 1.029 0.982 1.00 44.25 C ATOM 0 H LEU A 34 3.990 4.014 -1.672 1.00 34.13 H new ATOM 0 HA LEU A 34 5.772 2.738 0.046 1.00 1.21 H new ATOM 0 HB2 LEU A 34 3.159 2.269 -1.180 1.00 45.32 H new ATOM 0 HB3 LEU A 34 4.056 0.775 -0.996 1.00 45.32 H new ATOM 0 HG LEU A 34 4.271 1.126 1.398 1.00 21.40 H new ATOM 0 HD11 LEU A 34 3.181 3.035 2.510 1.00 11.03 H new ATOM 0 HD12 LEU A 34 4.474 3.564 1.407 1.00 11.03 H new ATOM 0 HD13 LEU A 34 2.769 3.721 0.920 1.00 11.03 H new ATOM 0 HD21 LEU A 34 1.895 0.984 2.032 1.00 44.25 H new ATOM 0 HD22 LEU A 34 1.433 1.592 0.425 1.00 44.25 H new ATOM 0 HD23 LEU A 34 2.249 0.018 0.581 1.00 44.25 H new ATOM 537 N LYS A 35 5.903 1.660 -3.065 1.00 50.33 N ATOM 538 CA LYS A 35 6.701 0.882 -4.004 1.00 24.10 C ATOM 539 C LYS A 35 8.184 1.204 -3.855 1.00 42.14 C ATOM 540 O LYS A 35 9.035 0.317 -3.936 1.00 10.44 O ATOM 541 CB LYS A 35 6.251 1.159 -5.440 1.00 4.33 C ATOM 542 CG LYS A 35 7.245 0.695 -6.490 1.00 65.51 C ATOM 543 CD LYS A 35 6.551 0.314 -7.787 1.00 64.35 C ATOM 544 CE LYS A 35 7.229 -0.873 -8.454 1.00 2.21 C ATOM 545 NZ LYS A 35 8.614 -0.548 -8.890 1.00 34.30 N ATOM 0 H LYS A 35 5.133 2.175 -3.492 1.00 50.33 H new ATOM 0 HA LYS A 35 6.552 -0.174 -3.780 1.00 24.10 H new ATOM 0 HB2 LYS A 35 5.295 0.665 -5.614 1.00 4.33 H new ATOM 0 HB3 LYS A 35 6.083 2.229 -5.559 1.00 4.33 H new ATOM 0 HG2 LYS A 35 7.968 1.487 -6.683 1.00 65.51 H new ATOM 0 HG3 LYS A 35 7.803 -0.161 -6.110 1.00 65.51 H new ATOM 0 HD2 LYS A 35 5.508 0.072 -7.585 1.00 64.35 H new ATOM 0 HD3 LYS A 35 6.555 1.166 -8.467 1.00 64.35 H new ATOM 0 HE2 LYS A 35 7.255 -1.713 -7.760 1.00 2.21 H new ATOM 0 HE3 LYS A 35 6.642 -1.189 -9.316 1.00 2.21 H new ATOM 0 HZ1 LYS A 35 9.041 -1.383 -9.340 1.00 34.30 H new ATOM 0 HZ2 LYS A 35 8.588 0.237 -9.572 1.00 34.30 H new ATOM 0 HZ3 LYS A 35 9.182 -0.271 -8.064 1.00 34.30 H new ATOM 555 N VAL A 36 8.489 2.479 -3.635 1.00 61.32 N ATOM 556 CA VAL A 36 9.870 2.918 -3.471 1.00 73.53 C ATOM 557 C VAL A 36 10.398 2.566 -2.086 1.00 52.53 C ATOM 558 O VAL A 36 11.592 2.322 -1.910 1.00 11.13 O ATOM 559 CB VAL A 36 10.005 4.437 -3.690 1.00 60.14 C ATOM 560 CG1 VAL A 36 11.451 4.875 -3.506 1.00 33.31 C ATOM 561 CG2 VAL A 36 9.493 4.824 -5.068 1.00 35.55 C ATOM 0 H VAL A 36 7.798 3.226 -3.566 1.00 61.32 H new ATOM 0 HA VAL A 36 10.460 2.396 -4.224 1.00 73.53 H new ATOM 0 HB VAL A 36 9.397 4.950 -2.945 1.00 60.14 H new ATOM 0 HG11 VAL A 36 11.528 5.951 -3.664 1.00 33.31 H new ATOM 0 HG12 VAL A 36 11.779 4.633 -2.495 1.00 33.31 H new ATOM 0 HG13 VAL A 36 12.083 4.356 -4.227 1.00 33.31 H new ATOM 0 HG21 VAL A 36 9.596 5.900 -5.205 1.00 35.55 H new ATOM 0 HG22 VAL A 36 10.072 4.304 -5.831 1.00 35.55 H new ATOM 0 HG23 VAL A 36 8.443 4.546 -5.157 1.00 35.55 H new ATOM 571 N GLU A 37 9.501 2.540 -1.105 1.00 73.33 N ATOM 572 CA GLU A 37 9.878 2.218 0.266 1.00 62.34 C ATOM 573 C GLU A 37 10.776 0.984 0.308 1.00 33.23 C ATOM 574 O GLU A 37 11.853 1.007 0.903 1.00 22.13 O ATOM 575 CB GLU A 37 8.630 1.982 1.119 1.00 62.25 C ATOM 576 CG GLU A 37 8.841 2.266 2.597 1.00 11.14 C ATOM 577 CD GLU A 37 7.975 1.397 3.488 1.00 5.54 C ATOM 578 OE1 GLU A 37 6.807 1.149 3.119 1.00 42.22 O ATOM 579 OE2 GLU A 37 8.463 0.965 4.553 1.00 14.01 O ATOM 0 H GLU A 37 8.509 2.738 -1.234 1.00 73.33 H new ATOM 0 HA GLU A 37 10.433 3.064 0.671 1.00 62.34 H new ATOM 0 HB2 GLU A 37 7.822 2.613 0.748 1.00 62.25 H new ATOM 0 HB3 GLU A 37 8.308 0.948 0.999 1.00 62.25 H new ATOM 0 HG2 GLU A 37 9.890 2.105 2.848 1.00 11.14 H new ATOM 0 HG3 GLU A 37 8.623 3.315 2.796 1.00 11.14 H new ATOM 584 N TYR A 38 10.324 -0.091 -0.329 1.00 21.32 N ATOM 585 CA TYR A 38 11.084 -1.335 -0.363 1.00 14.50 C ATOM 586 C TYR A 38 11.599 -1.620 -1.771 1.00 43.23 C ATOM 587 O TYR A 38 12.726 -2.081 -1.950 1.00 1.12 O ATOM 588 CB TYR A 38 10.218 -2.499 0.122 1.00 52.14 C ATOM 589 CG TYR A 38 11.009 -3.746 0.449 1.00 63.31 C ATOM 590 CD1 TYR A 38 12.069 -3.704 1.345 1.00 64.22 C ATOM 591 CD2 TYR A 38 10.695 -4.965 -0.140 1.00 31.41 C ATOM 592 CE1 TYR A 38 12.795 -4.842 1.646 1.00 35.12 C ATOM 593 CE2 TYR A 38 11.414 -6.106 0.156 1.00 42.23 C ATOM 594 CZ TYR A 38 12.463 -6.040 1.049 1.00 32.32 C ATOM 595 OH TYR A 38 13.183 -7.175 1.346 1.00 43.11 O ATOM 0 H TYR A 38 9.435 -0.126 -0.829 1.00 21.32 H new ATOM 0 HA TYR A 38 11.941 -1.227 0.302 1.00 14.50 H new ATOM 0 HB2 TYR A 38 9.666 -2.186 1.008 1.00 52.14 H new ATOM 0 HB3 TYR A 38 9.481 -2.737 -0.645 1.00 52.14 H new ATOM 0 HD1 TYR A 38 12.331 -2.767 1.815 1.00 64.22 H new ATOM 0 HD2 TYR A 38 9.875 -5.021 -0.841 1.00 31.41 H new ATOM 0 HE1 TYR A 38 13.617 -4.793 2.345 1.00 35.12 H new ATOM 0 HE2 TYR A 38 11.156 -7.046 -0.310 1.00 42.23 H new ATOM 0 HH TYR A 38 12.814 -7.595 2.151 1.00 43.11 H new ATOM 604 N GLY A 39 10.764 -1.343 -2.767 1.00 1.33 N ATOM 605 CA GLY A 39 11.150 -1.576 -4.146 1.00 52.34 C ATOM 606 C GLY A 39 10.132 -2.406 -4.902 1.00 41.05 C ATOM 607 O GLY A 39 8.939 -2.364 -4.600 1.00 61.11 O ATOM 0 H GLY A 39 9.826 -0.961 -2.643 1.00 1.33 H new ATOM 0 HA2 GLY A 39 11.280 -0.618 -4.650 1.00 52.34 H new ATOM 0 HA3 GLY A 39 12.115 -2.082 -4.169 1.00 52.34 H new ATOM 611 N SER A 40 10.602 -3.163 -5.888 1.00 41.24 N ATOM 612 CA SER A 40 9.724 -4.003 -6.693 1.00 42.20 C ATOM 613 C SER A 40 9.264 -5.224 -5.902 1.00 54.24 C ATOM 614 O SER A 40 8.156 -5.723 -6.098 1.00 52.02 O ATOM 615 CB SER A 40 10.439 -4.449 -7.970 1.00 44.32 C ATOM 616 OG SER A 40 9.608 -5.289 -8.753 1.00 44.22 O ATOM 0 H SER A 40 11.587 -3.212 -6.149 1.00 41.24 H new ATOM 0 HA SER A 40 8.847 -3.415 -6.962 1.00 42.20 H new ATOM 0 HB2 SER A 40 10.729 -3.575 -8.552 1.00 44.32 H new ATOM 0 HB3 SER A 40 11.356 -4.978 -7.711 1.00 44.32 H new ATOM 0 HG SER A 40 10.087 -5.559 -9.564 1.00 44.22 H new ATOM 621 N GLU A 41 10.124 -5.699 -5.005 1.00 73.42 N ATOM 622 CA GLU A 41 9.807 -6.861 -4.185 1.00 50.50 C ATOM 623 C GLU A 41 8.469 -6.677 -3.473 1.00 74.35 C ATOM 624 O GLU A 41 7.599 -7.545 -3.528 1.00 41.04 O ATOM 625 CB GLU A 41 10.914 -7.105 -3.157 1.00 64.01 C ATOM 626 CG GLU A 41 11.717 -8.369 -3.416 1.00 31.12 C ATOM 627 CD GLU A 41 10.842 -9.602 -3.538 1.00 40.44 C ATOM 628 OE1 GLU A 41 9.705 -9.575 -3.020 1.00 32.35 O ATOM 629 OE2 GLU A 41 11.293 -10.593 -4.147 1.00 42.25 O ATOM 0 H GLU A 41 11.045 -5.296 -4.829 1.00 73.42 H new ATOM 0 HA GLU A 41 9.733 -7.727 -4.842 1.00 50.50 H new ATOM 0 HB2 GLU A 41 11.590 -6.250 -3.153 1.00 64.01 H new ATOM 0 HB3 GLU A 41 10.469 -7.164 -2.164 1.00 64.01 H new ATOM 0 HG2 GLU A 41 12.295 -8.246 -4.332 1.00 31.12 H new ATOM 0 HG3 GLU A 41 12.431 -8.514 -2.605 1.00 31.12 H new ATOM 634 N PHE A 42 8.314 -5.538 -2.806 1.00 14.35 N ATOM 635 CA PHE A 42 7.083 -5.239 -2.082 1.00 73.03 C ATOM 636 C PHE A 42 5.919 -5.038 -3.047 1.00 70.42 C ATOM 637 O PHE A 42 4.866 -5.661 -2.906 1.00 33.35 O ATOM 638 CB PHE A 42 7.266 -3.988 -1.218 1.00 20.44 C ATOM 639 CG PHE A 42 5.996 -3.515 -0.572 1.00 12.02 C ATOM 640 CD1 PHE A 42 5.040 -4.423 -0.146 1.00 50.14 C ATOM 641 CD2 PHE A 42 5.757 -2.163 -0.391 1.00 55.24 C ATOM 642 CE1 PHE A 42 3.870 -3.991 0.449 1.00 20.34 C ATOM 643 CE2 PHE A 42 4.589 -1.723 0.204 1.00 24.43 C ATOM 644 CZ PHE A 42 3.644 -2.639 0.625 1.00 60.51 C ATOM 0 H PHE A 42 9.024 -4.808 -2.752 1.00 14.35 H new ATOM 0 HA PHE A 42 6.855 -6.088 -1.438 1.00 73.03 H new ATOM 0 HB2 PHE A 42 8.003 -4.196 -0.442 1.00 20.44 H new ATOM 0 HB3 PHE A 42 7.671 -3.186 -1.835 1.00 20.44 H new ATOM 0 HD1 PHE A 42 5.211 -5.481 -0.281 1.00 50.14 H new ATOM 0 HD2 PHE A 42 6.492 -1.443 -0.719 1.00 55.24 H new ATOM 0 HE1 PHE A 42 3.133 -4.709 0.776 1.00 20.34 H new ATOM 0 HE2 PHE A 42 4.416 -0.666 0.339 1.00 24.43 H new ATOM 0 HZ PHE A 42 2.731 -2.299 1.091 1.00 60.51 H new ATOM 653 N THR A 43 6.116 -4.164 -4.029 1.00 13.22 N ATOM 654 CA THR A 43 5.083 -3.879 -5.018 1.00 74.02 C ATOM 655 C THR A 43 4.556 -5.163 -5.649 1.00 53.35 C ATOM 656 O THR A 43 3.354 -5.310 -5.869 1.00 62.05 O ATOM 657 CB THR A 43 5.611 -2.952 -6.130 1.00 5.13 C ATOM 658 OG1 THR A 43 6.569 -2.034 -5.591 1.00 4.51 O ATOM 659 CG2 THR A 43 4.471 -2.181 -6.778 1.00 43.51 C ATOM 0 H THR A 43 6.982 -3.641 -4.161 1.00 13.22 H new ATOM 0 HA THR A 43 4.271 -3.377 -4.492 1.00 74.02 H new ATOM 0 HB THR A 43 6.090 -3.570 -6.890 1.00 5.13 H new ATOM 0 HG1 THR A 43 7.461 -2.439 -5.617 1.00 4.51 H new ATOM 0 HG21 THR A 43 4.868 -1.533 -7.560 1.00 43.51 H new ATOM 0 HG22 THR A 43 3.759 -2.882 -7.214 1.00 43.51 H new ATOM 0 HG23 THR A 43 3.968 -1.574 -6.025 1.00 43.51 H new ATOM 667 N LYS A 44 5.464 -6.090 -5.936 1.00 64.10 N ATOM 668 CA LYS A 44 5.091 -7.364 -6.539 1.00 22.24 C ATOM 669 C LYS A 44 4.428 -8.278 -5.515 1.00 44.34 C ATOM 670 O LYS A 44 3.539 -9.061 -5.852 1.00 64.03 O ATOM 671 CB LYS A 44 6.324 -8.052 -7.130 1.00 32.22 C ATOM 672 CG LYS A 44 6.971 -7.273 -8.263 1.00 35.12 C ATOM 673 CD LYS A 44 6.402 -7.675 -9.612 1.00 31.41 C ATOM 674 CE LYS A 44 7.082 -6.927 -10.749 1.00 25.02 C ATOM 675 NZ LYS A 44 6.218 -6.853 -11.960 1.00 71.12 N ATOM 0 H LYS A 44 6.463 -5.983 -5.761 1.00 64.10 H new ATOM 0 HA LYS A 44 4.376 -7.164 -7.337 1.00 22.24 H new ATOM 0 HB2 LYS A 44 7.059 -8.204 -6.339 1.00 32.22 H new ATOM 0 HB3 LYS A 44 6.039 -9.039 -7.495 1.00 32.22 H new ATOM 0 HG2 LYS A 44 6.817 -6.205 -8.106 1.00 35.12 H new ATOM 0 HG3 LYS A 44 8.047 -7.445 -8.255 1.00 35.12 H new ATOM 0 HD2 LYS A 44 6.526 -8.748 -9.755 1.00 31.41 H new ATOM 0 HD3 LYS A 44 5.331 -7.473 -9.631 1.00 31.41 H new ATOM 0 HE2 LYS A 44 7.334 -5.919 -10.421 1.00 25.02 H new ATOM 0 HE3 LYS A 44 8.019 -7.424 -11.001 1.00 25.02 H new ATOM 0 HZ1 LYS A 44 6.717 -6.336 -12.712 1.00 71.12 H new ATOM 0 HZ2 LYS A 44 5.998 -7.815 -12.289 1.00 71.12 H new ATOM 0 HZ3 LYS A 44 5.335 -6.357 -11.726 1.00 71.12 H new ATOM 685 N GLN A 45 4.864 -8.173 -4.264 1.00 71.54 N ATOM 686 CA GLN A 45 4.311 -8.990 -3.191 1.00 62.22 C ATOM 687 C GLN A 45 2.886 -8.561 -2.858 1.00 22.41 C ATOM 688 O GLN A 45 2.031 -9.395 -2.561 1.00 34.54 O ATOM 689 CB GLN A 45 5.190 -8.894 -1.943 1.00 55.54 C ATOM 690 CG GLN A 45 5.012 -10.056 -0.980 1.00 4.12 C ATOM 691 CD GLN A 45 5.827 -11.272 -1.377 1.00 40.33 C ATOM 692 OE1 GLN A 45 6.639 -11.214 -2.301 1.00 44.34 O ATOM 693 NE2 GLN A 45 5.615 -12.381 -0.677 1.00 53.30 N ATOM 0 H GLN A 45 5.599 -7.530 -3.969 1.00 71.54 H new ATOM 0 HA GLN A 45 4.289 -10.025 -3.532 1.00 62.22 H new ATOM 0 HB2 GLN A 45 6.235 -8.844 -2.248 1.00 55.54 H new ATOM 0 HB3 GLN A 45 4.965 -7.964 -1.422 1.00 55.54 H new ATOM 0 HG2 GLN A 45 5.302 -9.740 0.022 1.00 4.12 H new ATOM 0 HG3 GLN A 45 3.958 -10.328 -0.936 1.00 4.12 H new ATOM 0 HE21 GLN A 45 4.932 -12.383 0.081 1.00 53.30 H new ATOM 0 HE22 GLN A 45 6.135 -13.230 -0.897 1.00 53.30 H new ATOM 700 N MET A 46 2.639 -7.256 -2.910 1.00 44.14 N ATOM 701 CA MET A 46 1.317 -6.718 -2.615 1.00 31.14 C ATOM 702 C MET A 46 0.567 -6.382 -3.900 1.00 43.04 C ATOM 703 O MET A 46 -0.530 -5.824 -3.863 1.00 50.21 O ATOM 704 CB MET A 46 1.435 -5.468 -1.739 1.00 45.23 C ATOM 705 CG MET A 46 2.163 -4.319 -2.416 1.00 71.34 C ATOM 706 SD MET A 46 1.426 -2.716 -2.046 1.00 53.01 S ATOM 707 CE MET A 46 -0.129 -2.847 -2.925 1.00 52.12 C ATOM 0 H MET A 46 3.337 -6.553 -3.153 1.00 44.14 H new ATOM 0 HA MET A 46 0.755 -7.480 -2.075 1.00 31.14 H new ATOM 0 HB2 MET A 46 0.436 -5.137 -1.455 1.00 45.23 H new ATOM 0 HB3 MET A 46 1.958 -5.727 -0.819 1.00 45.23 H new ATOM 0 HG2 MET A 46 3.206 -4.317 -2.098 1.00 71.34 H new ATOM 0 HG3 MET A 46 2.159 -4.476 -3.495 1.00 71.34 H new ATOM 0 HE1 MET A 46 -0.825 -2.097 -2.548 1.00 52.12 H new ATOM 0 HE2 MET A 46 0.040 -2.682 -3.989 1.00 52.12 H new ATOM 0 HE3 MET A 46 -0.550 -3.841 -2.774 1.00 52.12 H new ATOM 715 N TYR A 47 1.166 -6.726 -5.035 1.00 34.21 N ATOM 716 CA TYR A 47 0.556 -6.458 -6.332 1.00 2.01 C ATOM 717 C TYR A 47 1.420 -7.004 -7.464 1.00 65.11 C ATOM 718 O TYR A 47 2.273 -6.300 -8.005 1.00 70.12 O ATOM 719 CB TYR A 47 0.343 -4.955 -6.519 1.00 1.01 C ATOM 720 CG TYR A 47 -0.920 -4.612 -7.277 1.00 15.33 C ATOM 721 CD1 TYR A 47 -2.165 -5.019 -6.814 1.00 73.13 C ATOM 722 CD2 TYR A 47 -0.868 -3.879 -8.457 1.00 63.14 C ATOM 723 CE1 TYR A 47 -3.320 -4.708 -7.504 1.00 53.11 C ATOM 724 CE2 TYR A 47 -2.018 -3.562 -9.153 1.00 4.41 C ATOM 725 CZ TYR A 47 -3.242 -3.980 -8.672 1.00 61.51 C ATOM 726 OH TYR A 47 -4.391 -3.667 -9.363 1.00 54.44 O ATOM 0 H TYR A 47 2.073 -7.191 -5.083 1.00 34.21 H new ATOM 0 HA TYR A 47 -0.410 -6.962 -6.361 1.00 2.01 H new ATOM 0 HB2 TYR A 47 0.311 -4.477 -5.540 1.00 1.01 H new ATOM 0 HB3 TYR A 47 1.199 -4.538 -7.049 1.00 1.01 H new ATOM 0 HD1 TYR A 47 -2.231 -5.588 -5.899 1.00 73.13 H new ATOM 0 HD2 TYR A 47 0.089 -3.552 -8.836 1.00 63.14 H new ATOM 0 HE1 TYR A 47 -4.280 -5.033 -7.130 1.00 53.11 H new ATOM 0 HE2 TYR A 47 -1.960 -2.991 -10.068 1.00 4.41 H new ATOM 0 HH TYR A 47 -4.618 -4.402 -9.970 1.00 54.44 H new ATOM 735 N ASP A 48 1.193 -8.264 -7.817 1.00 5.22 N ATOM 736 CA ASP A 48 1.948 -8.908 -8.886 1.00 51.24 C ATOM 737 C ASP A 48 1.387 -8.529 -10.253 1.00 21.02 C ATOM 738 O ASP A 48 0.502 -9.203 -10.780 1.00 43.11 O ATOM 739 CB ASP A 48 1.924 -10.427 -8.714 1.00 64.24 C ATOM 740 CG ASP A 48 2.543 -11.153 -9.893 1.00 21.14 C ATOM 741 OD1 ASP A 48 3.750 -10.956 -10.145 1.00 43.52 O ATOM 742 OD2 ASP A 48 1.819 -11.919 -10.563 1.00 52.00 O ATOM 0 H ASP A 48 0.492 -8.861 -7.378 1.00 5.22 H new ATOM 0 HA ASP A 48 2.979 -8.561 -8.828 1.00 51.24 H new ATOM 0 HB2 ASP A 48 2.460 -10.695 -7.804 1.00 64.24 H new ATOM 0 HB3 ASP A 48 0.894 -10.759 -8.587 1.00 64.24 H new ATOM 746 N GLY A 49 1.906 -7.445 -10.821 1.00 61.40 N ATOM 747 CA GLY A 49 1.443 -6.994 -12.121 1.00 43.51 C ATOM 748 C GLY A 49 0.207 -6.122 -12.025 1.00 24.51 C ATOM 749 O GLY A 49 0.307 -4.905 -11.874 1.00 44.04 O ATOM 0 H GLY A 49 2.639 -6.871 -10.404 1.00 61.40 H new ATOM 0 HA2 GLY A 49 2.240 -6.437 -12.614 1.00 43.51 H new ATOM 0 HA3 GLY A 49 1.226 -7.860 -12.746 1.00 43.51 H new ATOM 753 N ASN A 50 -0.963 -6.745 -12.117 1.00 4.41 N ATOM 754 CA ASN A 50 -2.225 -6.017 -12.043 1.00 0.20 C ATOM 755 C ASN A 50 -3.082 -6.529 -10.889 1.00 42.34 C ATOM 756 O ASN A 50 -4.134 -5.969 -10.586 1.00 32.24 O ATOM 757 CB ASN A 50 -2.992 -6.149 -13.359 1.00 23.42 C ATOM 758 CG ASN A 50 -2.325 -5.398 -14.495 1.00 34.13 C ATOM 759 OD1 ASN A 50 -1.830 -4.285 -14.312 1.00 12.14 O ATOM 760 ND2 ASN A 50 -2.308 -6.003 -15.676 1.00 24.34 N ATOM 0 H ASN A 50 -1.064 -7.752 -12.243 1.00 4.41 H new ATOM 0 HA ASN A 50 -1.999 -4.966 -11.866 1.00 0.20 H new ATOM 0 HB2 ASN A 50 -3.075 -7.203 -13.624 1.00 23.42 H new ATOM 0 HB3 ASN A 50 -4.006 -5.773 -13.225 1.00 23.42 H new ATOM 0 HD21 ASN A 50 -1.873 -5.546 -16.477 1.00 24.34 H new ATOM 0 HD22 ASN A 50 -2.730 -6.925 -15.783 1.00 24.34 H new ATOM 766 N ASN A 51 -2.622 -7.600 -10.247 1.00 33.13 N ATOM 767 CA ASN A 51 -3.346 -8.188 -9.126 1.00 33.24 C ATOM 768 C ASN A 51 -2.394 -8.927 -8.191 1.00 62.25 C ATOM 769 O ASN A 51 -1.261 -9.240 -8.562 1.00 3.22 O ATOM 770 CB ASN A 51 -4.425 -9.146 -9.636 1.00 43.41 C ATOM 771 CG ASN A 51 -3.838 -10.374 -10.304 1.00 32.01 C ATOM 772 OD1 ASN A 51 -3.627 -11.403 -9.662 1.00 54.34 O ATOM 773 ND2 ASN A 51 -3.572 -10.272 -11.600 1.00 35.53 N ATOM 0 H ASN A 51 -1.752 -8.077 -10.484 1.00 33.13 H new ATOM 0 HA ASN A 51 -3.820 -7.381 -8.568 1.00 33.24 H new ATOM 0 HB2 ASN A 51 -5.056 -9.455 -8.803 1.00 43.41 H new ATOM 0 HB3 ASN A 51 -5.067 -8.622 -10.344 1.00 43.41 H new ATOM 0 HD21 ASN A 51 -3.177 -11.066 -12.104 1.00 35.53 H new ATOM 0 HD22 ASN A 51 -3.763 -9.400 -12.093 1.00 35.53 H new ATOM 779 N LEU A 52 -2.859 -9.203 -6.978 1.00 10.34 N ATOM 780 CA LEU A 52 -2.049 -9.906 -5.990 1.00 5.45 C ATOM 781 C LEU A 52 -1.442 -11.173 -6.584 1.00 14.04 C ATOM 782 O LEU A 52 -1.947 -11.712 -7.569 1.00 3.02 O ATOM 783 CB LEU A 52 -2.897 -10.259 -4.766 1.00 43.31 C ATOM 784 CG LEU A 52 -3.611 -9.092 -4.084 1.00 31.34 C ATOM 785 CD1 LEU A 52 -2.853 -7.794 -4.315 1.00 4.32 C ATOM 786 CD2 LEU A 52 -5.041 -8.973 -4.590 1.00 4.32 C ATOM 0 H LEU A 52 -3.793 -8.951 -6.655 1.00 10.34 H new ATOM 0 HA LEU A 52 -1.237 -9.245 -5.685 1.00 5.45 H new ATOM 0 HB2 LEU A 52 -3.646 -10.991 -5.067 1.00 43.31 H new ATOM 0 HB3 LEU A 52 -2.254 -10.745 -4.032 1.00 43.31 H new ATOM 0 HG LEU A 52 -3.641 -9.286 -3.012 1.00 31.34 H new ATOM 0 HD11 LEU A 52 -3.376 -6.975 -3.822 1.00 4.32 H new ATOM 0 HD12 LEU A 52 -1.847 -7.882 -3.904 1.00 4.32 H new ATOM 0 HD13 LEU A 52 -2.791 -7.594 -5.385 1.00 4.32 H new ATOM 0 HD21 LEU A 52 -5.534 -8.137 -4.094 1.00 4.32 H new ATOM 0 HD22 LEU A 52 -5.033 -8.802 -5.667 1.00 4.32 H new ATOM 0 HD23 LEU A 52 -5.582 -9.894 -4.373 1.00 4.32 H new ATOM 797 N PHE A 53 -0.358 -11.643 -5.978 1.00 62.31 N ATOM 798 CA PHE A 53 0.318 -12.848 -6.447 1.00 53.13 C ATOM 799 C PHE A 53 -0.432 -14.100 -6.004 1.00 54.21 C ATOM 800 O PHE A 53 -0.954 -14.850 -6.830 1.00 14.24 O ATOM 801 CB PHE A 53 1.755 -12.888 -5.923 1.00 53.05 C ATOM 802 CG PHE A 53 2.465 -14.178 -6.220 1.00 53.23 C ATOM 803 CD1 PHE A 53 2.496 -14.688 -7.508 1.00 11.35 C ATOM 804 CD2 PHE A 53 3.103 -14.881 -5.209 1.00 21.24 C ATOM 805 CE1 PHE A 53 3.148 -15.875 -7.783 1.00 0.41 C ATOM 806 CE2 PHE A 53 3.756 -16.069 -5.479 1.00 43.52 C ATOM 807 CZ PHE A 53 3.780 -16.566 -6.767 1.00 31.43 C ATOM 0 H PHE A 53 0.072 -11.209 -5.161 1.00 62.31 H new ATOM 0 HA PHE A 53 0.336 -12.824 -7.537 1.00 53.13 H new ATOM 0 HB2 PHE A 53 2.317 -12.064 -6.362 1.00 53.05 H new ATOM 0 HB3 PHE A 53 1.745 -12.728 -4.845 1.00 53.05 H new ATOM 0 HD1 PHE A 53 2.005 -14.152 -8.306 1.00 11.35 H new ATOM 0 HD2 PHE A 53 3.089 -14.496 -4.200 1.00 21.24 H new ATOM 0 HE1 PHE A 53 3.164 -16.262 -8.791 1.00 0.41 H new ATOM 0 HE2 PHE A 53 4.247 -16.608 -4.683 1.00 43.52 H new ATOM 0 HZ PHE A 53 4.292 -17.493 -6.980 1.00 31.43 H new ATOM 816 N LYS A 54 -0.482 -14.321 -4.695 1.00 53.15 N ATOM 817 CA LYS A 54 -1.168 -15.481 -4.139 1.00 22.43 C ATOM 818 C LYS A 54 -2.645 -15.180 -3.909 1.00 22.30 C ATOM 819 O LYS A 54 -3.518 -15.884 -4.416 1.00 74.11 O ATOM 820 CB LYS A 54 -0.511 -15.906 -2.823 1.00 3.04 C ATOM 821 CG LYS A 54 -1.154 -17.128 -2.191 1.00 55.43 C ATOM 822 CD LYS A 54 -0.273 -17.723 -1.105 1.00 75.55 C ATOM 823 CE LYS A 54 0.524 -18.910 -1.623 1.00 24.33 C ATOM 824 NZ LYS A 54 0.743 -19.935 -0.565 1.00 10.30 N ATOM 0 H LYS A 54 -0.055 -13.711 -3.998 1.00 53.15 H new ATOM 0 HA LYS A 54 -1.089 -16.298 -4.857 1.00 22.43 H new ATOM 0 HB2 LYS A 54 0.544 -16.113 -3.003 1.00 3.04 H new ATOM 0 HB3 LYS A 54 -0.557 -15.076 -2.118 1.00 3.04 H new ATOM 0 HG2 LYS A 54 -2.120 -16.854 -1.767 1.00 55.43 H new ATOM 0 HG3 LYS A 54 -1.344 -17.878 -2.959 1.00 55.43 H new ATOM 0 HD2 LYS A 54 0.410 -16.960 -0.730 1.00 75.55 H new ATOM 0 HD3 LYS A 54 -0.892 -18.038 -0.265 1.00 75.55 H new ATOM 0 HE2 LYS A 54 -0.003 -19.362 -2.463 1.00 24.33 H new ATOM 0 HE3 LYS A 54 1.487 -18.565 -1.999 1.00 24.33 H new ATOM 0 HZ1 LYS A 54 1.008 -20.839 -1.007 1.00 10.30 H new ATOM 0 HZ2 LYS A 54 1.506 -19.622 0.069 1.00 10.30 H new ATOM 0 HZ3 LYS A 54 -0.132 -20.061 -0.017 1.00 10.30 H new ATOM 834 N ASN A 55 -2.918 -14.130 -3.141 1.00 32.35 N ATOM 835 CA ASN A 55 -4.291 -13.736 -2.846 1.00 12.34 C ATOM 836 C ASN A 55 -4.341 -12.800 -1.642 1.00 52.13 C ATOM 837 O ASN A 55 -5.140 -12.991 -0.725 1.00 24.23 O ATOM 838 CB ASN A 55 -5.152 -14.972 -2.580 1.00 11.04 C ATOM 839 CG ASN A 55 -6.089 -15.282 -3.732 1.00 63.34 C ATOM 840 OD1 ASN A 55 -6.675 -14.381 -4.330 1.00 11.20 O ATOM 841 ND2 ASN A 55 -6.232 -16.564 -4.049 1.00 20.21 N ATOM 0 H ASN A 55 -2.207 -13.537 -2.712 1.00 32.35 H new ATOM 0 HA ASN A 55 -4.685 -13.206 -3.713 1.00 12.34 H new ATOM 0 HB2 ASN A 55 -4.505 -15.831 -2.400 1.00 11.04 H new ATOM 0 HB3 ASN A 55 -5.735 -14.817 -1.672 1.00 11.04 H new ATOM 0 HD21 ASN A 55 -6.848 -16.834 -4.816 1.00 20.21 H new ATOM 0 HD22 ASN A 55 -5.726 -17.278 -3.525 1.00 20.21 H new ATOM 847 N VAL A 56 -3.480 -11.787 -1.651 1.00 53.41 N ATOM 848 CA VAL A 56 -3.426 -10.819 -0.562 1.00 41.53 C ATOM 849 C VAL A 56 -4.701 -9.985 -0.504 1.00 42.35 C ATOM 850 O VAL A 56 -5.245 -9.592 -1.536 1.00 61.13 O ATOM 851 CB VAL A 56 -2.216 -9.879 -0.706 1.00 34.12 C ATOM 852 CG1 VAL A 56 -1.996 -9.090 0.577 1.00 4.13 C ATOM 853 CG2 VAL A 56 -0.969 -10.667 -1.077 1.00 20.03 C ATOM 0 H VAL A 56 -2.810 -11.616 -2.401 1.00 53.41 H new ATOM 0 HA VAL A 56 -3.326 -11.388 0.362 1.00 41.53 H new ATOM 0 HB VAL A 56 -2.422 -9.171 -1.509 1.00 34.12 H new ATOM 0 HG11 VAL A 56 -1.136 -8.431 0.456 1.00 4.13 H new ATOM 0 HG12 VAL A 56 -2.882 -8.494 0.794 1.00 4.13 H new ATOM 0 HG13 VAL A 56 -1.812 -9.779 1.401 1.00 4.13 H new ATOM 0 HG21 VAL A 56 -0.124 -9.986 -1.175 1.00 20.03 H new ATOM 0 HG22 VAL A 56 -0.757 -11.400 -0.298 1.00 20.03 H new ATOM 0 HG23 VAL A 56 -1.132 -11.181 -2.024 1.00 20.03 H new ATOM 863 N ILE A 57 -5.172 -9.718 0.710 1.00 25.15 N ATOM 864 CA ILE A 57 -6.382 -8.930 0.902 1.00 12.05 C ATOM 865 C ILE A 57 -6.094 -7.668 1.709 1.00 44.21 C ATOM 866 O ILE A 57 -5.852 -7.732 2.915 1.00 1.10 O ATOM 867 CB ILE A 57 -7.478 -9.743 1.617 1.00 71.10 C ATOM 868 CG1 ILE A 57 -7.842 -10.980 0.794 1.00 4.12 C ATOM 869 CG2 ILE A 57 -8.707 -8.879 1.858 1.00 40.02 C ATOM 870 CD1 ILE A 57 -8.196 -12.185 1.639 1.00 73.31 C ATOM 0 H ILE A 57 -4.734 -10.036 1.574 1.00 25.15 H new ATOM 0 HA ILE A 57 -6.737 -8.652 -0.090 1.00 12.05 H new ATOM 0 HB ILE A 57 -7.095 -10.072 2.583 1.00 71.10 H new ATOM 0 HG12 ILE A 57 -8.685 -10.740 0.146 1.00 4.12 H new ATOM 0 HG13 ILE A 57 -7.004 -11.235 0.145 1.00 4.12 H new ATOM 0 HG21 ILE A 57 -9.472 -9.468 2.364 1.00 40.02 H new ATOM 0 HG22 ILE A 57 -8.436 -8.026 2.480 1.00 40.02 H new ATOM 0 HG23 ILE A 57 -9.095 -8.524 0.903 1.00 40.02 H new ATOM 0 HD11 ILE A 57 -8.443 -13.025 0.990 1.00 73.31 H new ATOM 0 HD12 ILE A 57 -7.346 -12.451 2.268 1.00 73.31 H new ATOM 0 HD13 ILE A 57 -9.054 -11.949 2.269 1.00 73.31 H new ATOM 881 N ILE A 58 -6.123 -6.522 1.037 1.00 62.54 N ATOM 882 CA ILE A 58 -5.866 -5.246 1.692 1.00 31.35 C ATOM 883 C ILE A 58 -7.051 -4.298 1.530 1.00 62.23 C ATOM 884 O ILE A 58 -7.608 -4.165 0.441 1.00 30.34 O ATOM 885 CB ILE A 58 -4.602 -4.569 1.132 1.00 53.33 C ATOM 886 CG1 ILE A 58 -4.611 -3.074 1.455 1.00 20.30 C ATOM 887 CG2 ILE A 58 -4.501 -4.792 -0.369 1.00 1.15 C ATOM 888 CD1 ILE A 58 -3.289 -2.389 1.188 1.00 41.52 C ATOM 0 H ILE A 58 -6.322 -6.451 0.039 1.00 62.54 H new ATOM 0 HA ILE A 58 -5.714 -5.459 2.750 1.00 31.35 H new ATOM 0 HB ILE A 58 -3.729 -5.018 1.605 1.00 53.33 H new ATOM 0 HG12 ILE A 58 -5.388 -2.588 0.865 1.00 20.30 H new ATOM 0 HG13 ILE A 58 -4.875 -2.939 2.504 1.00 20.30 H new ATOM 0 HG21 ILE A 58 -3.602 -4.307 -0.749 1.00 1.15 H new ATOM 0 HG22 ILE A 58 -4.452 -5.861 -0.575 1.00 1.15 H new ATOM 0 HG23 ILE A 58 -5.377 -4.368 -0.860 1.00 1.15 H new ATOM 0 HD11 ILE A 58 -3.370 -1.332 1.440 1.00 41.52 H new ATOM 0 HD12 ILE A 58 -2.511 -2.849 1.798 1.00 41.52 H new ATOM 0 HD13 ILE A 58 -3.032 -2.492 0.134 1.00 41.52 H new ATOM 899 N LEU A 59 -7.428 -3.640 2.621 1.00 45.35 N ATOM 900 CA LEU A 59 -8.545 -2.702 2.601 1.00 44.14 C ATOM 901 C LEU A 59 -8.106 -1.324 3.083 1.00 31.33 C ATOM 902 O LEU A 59 -7.061 -1.179 3.717 1.00 10.21 O ATOM 903 CB LEU A 59 -9.687 -3.221 3.475 1.00 2.44 C ATOM 904 CG LEU A 59 -10.659 -4.193 2.804 1.00 42.22 C ATOM 905 CD1 LEU A 59 -11.517 -3.468 1.779 1.00 33.40 C ATOM 906 CD2 LEU A 59 -9.900 -5.340 2.152 1.00 1.23 C ATOM 0 H LEU A 59 -6.977 -3.739 3.530 1.00 45.35 H new ATOM 0 HA LEU A 59 -8.895 -2.612 1.573 1.00 44.14 H new ATOM 0 HB2 LEU A 59 -9.256 -3.714 4.346 1.00 2.44 H new ATOM 0 HB3 LEU A 59 -10.255 -2.366 3.841 1.00 2.44 H new ATOM 0 HG LEU A 59 -11.316 -4.606 3.569 1.00 42.22 H new ATOM 0 HD11 LEU A 59 -12.202 -4.176 1.312 1.00 33.40 H new ATOM 0 HD12 LEU A 59 -12.088 -2.682 2.273 1.00 33.40 H new ATOM 0 HD13 LEU A 59 -10.877 -3.026 1.016 1.00 33.40 H new ATOM 0 HD21 LEU A 59 -10.607 -6.022 1.679 1.00 1.23 H new ATOM 0 HD22 LEU A 59 -9.219 -4.944 1.399 1.00 1.23 H new ATOM 0 HD23 LEU A 59 -9.330 -5.877 2.910 1.00 1.23 H new ATOM 917 N VAL A 60 -8.913 -0.311 2.778 1.00 25.32 N ATOM 918 CA VAL A 60 -8.611 1.056 3.183 1.00 74.44 C ATOM 919 C VAL A 60 -9.820 1.717 3.833 1.00 22.15 C ATOM 920 O VAL A 60 -10.930 1.661 3.304 1.00 23.20 O ATOM 921 CB VAL A 60 -8.156 1.908 1.983 1.00 31.44 C ATOM 922 CG1 VAL A 60 -9.286 2.056 0.974 1.00 73.13 C ATOM 923 CG2 VAL A 60 -7.668 3.270 2.452 1.00 61.15 C ATOM 0 H VAL A 60 -9.781 -0.413 2.252 1.00 25.32 H new ATOM 0 HA VAL A 60 -7.799 1.000 3.908 1.00 74.44 H new ATOM 0 HB VAL A 60 -7.327 1.399 1.492 1.00 31.44 H new ATOM 0 HG11 VAL A 60 -8.946 2.661 0.133 1.00 73.13 H new ATOM 0 HG12 VAL A 60 -9.585 1.071 0.615 1.00 73.13 H new ATOM 0 HG13 VAL A 60 -10.137 2.542 1.450 1.00 73.13 H new ATOM 0 HG21 VAL A 60 -7.350 3.859 1.591 1.00 61.15 H new ATOM 0 HG22 VAL A 60 -8.476 3.788 2.968 1.00 61.15 H new ATOM 0 HG23 VAL A 60 -6.827 3.140 3.133 1.00 61.15 H new ATOM 933 N ASN A 61 -9.598 2.345 4.983 1.00 44.11 N ATOM 934 CA ASN A 61 -10.671 3.017 5.706 1.00 13.12 C ATOM 935 C ASN A 61 -11.872 2.092 5.883 1.00 11.11 C ATOM 936 O ASN A 61 -13.013 2.546 5.949 1.00 11.34 O ATOM 937 CB ASN A 61 -11.096 4.287 4.966 1.00 4.12 C ATOM 938 CG ASN A 61 -11.819 5.268 5.867 1.00 54.13 C ATOM 939 OD1 ASN A 61 -11.531 5.360 7.061 1.00 44.12 O ATOM 940 ND2 ASN A 61 -12.764 6.009 5.300 1.00 70.43 N ATOM 0 H ASN A 61 -8.685 2.402 5.434 1.00 44.11 H new ATOM 0 HA ASN A 61 -10.295 3.288 6.693 1.00 13.12 H new ATOM 0 HB2 ASN A 61 -10.215 4.769 4.542 1.00 4.12 H new ATOM 0 HB3 ASN A 61 -11.745 4.018 4.132 1.00 4.12 H new ATOM 0 HD21 ASN A 61 -13.284 6.687 5.857 1.00 70.43 H new ATOM 0 HD22 ASN A 61 -12.970 5.900 4.307 1.00 70.43 H new ATOM 946 N GLY A 62 -11.604 0.792 5.960 1.00 11.40 N ATOM 947 CA GLY A 62 -12.672 -0.176 6.129 1.00 55.15 C ATOM 948 C GLY A 62 -13.554 -0.287 4.901 1.00 62.43 C ATOM 949 O GLY A 62 -14.776 -0.353 5.011 1.00 1.35 O ATOM 0 H GLY A 62 -10.667 0.392 5.908 1.00 11.40 H new ATOM 0 HA2 GLY A 62 -12.241 -1.152 6.353 1.00 55.15 H new ATOM 0 HA3 GLY A 62 -13.282 0.107 6.987 1.00 55.15 H new ATOM 953 N ASN A 63 -12.930 -0.307 3.727 1.00 4.43 N ATOM 954 CA ASN A 63 -13.667 -0.409 2.473 1.00 34.42 C ATOM 955 C ASN A 63 -12.711 -0.485 1.285 1.00 43.33 C ATOM 956 O ASN A 63 -11.680 0.186 1.261 1.00 20.12 O ATOM 957 CB ASN A 63 -14.605 0.788 2.309 1.00 11.45 C ATOM 958 CG ASN A 63 -15.907 0.413 1.626 1.00 53.55 C ATOM 959 OD1 ASN A 63 -15.907 -0.246 0.587 1.00 64.00 O ATOM 960 ND2 ASN A 63 -17.024 0.834 2.210 1.00 75.42 N ATOM 0 H ASN A 63 -11.917 -0.254 3.618 1.00 4.43 H new ATOM 0 HA ASN A 63 -14.258 -1.324 2.502 1.00 34.42 H new ATOM 0 HB2 ASN A 63 -14.821 1.214 3.289 1.00 11.45 H new ATOM 0 HB3 ASN A 63 -14.103 1.562 1.729 1.00 11.45 H new ATOM 0 HD21 ASN A 63 -17.930 0.613 1.797 1.00 75.42 H new ATOM 0 HD22 ASN A 63 -16.975 1.378 3.071 1.00 75.42 H new ATOM 966 N ASN A 64 -13.061 -1.308 0.302 1.00 1.15 N ATOM 967 CA ASN A 64 -12.235 -1.472 -0.888 1.00 22.22 C ATOM 968 C ASN A 64 -12.299 -0.229 -1.770 1.00 30.34 C ATOM 969 O ASN A 64 -13.323 0.452 -1.828 1.00 22.45 O ATOM 970 CB ASN A 64 -12.688 -2.699 -1.683 1.00 34.22 C ATOM 971 CG ASN A 64 -14.193 -2.748 -1.863 1.00 1.15 C ATOM 972 OD1 ASN A 64 -14.876 -1.730 -1.754 1.00 15.02 O ATOM 973 ND2 ASN A 64 -14.717 -3.936 -2.140 1.00 21.13 N ATOM 0 H ASN A 64 -13.911 -1.872 0.306 1.00 1.15 H new ATOM 0 HA ASN A 64 -11.203 -1.615 -0.567 1.00 22.22 H new ATOM 0 HB2 ASN A 64 -12.208 -2.692 -2.662 1.00 34.22 H new ATOM 0 HB3 ASN A 64 -12.356 -3.603 -1.172 1.00 34.22 H new ATOM 0 HD21 ASN A 64 -15.724 -4.031 -2.272 1.00 21.13 H new ATOM 0 HD22 ASN A 64 -14.113 -4.754 -2.221 1.00 21.13 H new ATOM 979 N ILE A 65 -11.198 0.061 -2.455 1.00 71.25 N ATOM 980 CA ILE A 65 -11.129 1.222 -3.335 1.00 61.32 C ATOM 981 C ILE A 65 -11.893 0.974 -4.632 1.00 42.14 C ATOM 982 O ILE A 65 -12.363 1.911 -5.277 1.00 2.42 O ATOM 983 CB ILE A 65 -9.671 1.586 -3.673 1.00 40.32 C ATOM 984 CG1 ILE A 65 -8.962 0.396 -4.320 1.00 63.34 C ATOM 985 CG2 ILE A 65 -8.932 2.032 -2.419 1.00 3.35 C ATOM 986 CD1 ILE A 65 -7.565 0.716 -4.807 1.00 33.43 C ATOM 0 H ILE A 65 -10.342 -0.492 -2.418 1.00 71.25 H new ATOM 0 HA ILE A 65 -11.587 2.053 -2.799 1.00 61.32 H new ATOM 0 HB ILE A 65 -9.674 2.413 -4.383 1.00 40.32 H new ATOM 0 HG12 ILE A 65 -8.909 -0.420 -3.600 1.00 63.34 H new ATOM 0 HG13 ILE A 65 -9.559 0.041 -5.160 1.00 63.34 H new ATOM 0 HG21 ILE A 65 -7.903 2.286 -2.674 1.00 3.35 H new ATOM 0 HG22 ILE A 65 -9.427 2.906 -1.996 1.00 3.35 H new ATOM 0 HG23 ILE A 65 -8.936 1.224 -1.688 1.00 3.35 H new ATOM 0 HD11 ILE A 65 -7.123 -0.174 -5.254 1.00 33.43 H new ATOM 0 HD12 ILE A 65 -7.612 1.511 -5.551 1.00 33.43 H new ATOM 0 HD13 ILE A 65 -6.952 1.042 -3.966 1.00 33.43 H new ATOM 997 N THR A 66 -12.014 -0.296 -5.008 1.00 75.34 N ATOM 998 CA THR A 66 -12.720 -0.667 -6.227 1.00 11.25 C ATOM 999 C THR A 66 -14.196 -0.292 -6.142 1.00 62.35 C ATOM 1000 O THR A 66 -14.843 -0.051 -7.161 1.00 2.13 O ATOM 1001 CB THR A 66 -12.601 -2.177 -6.507 1.00 40.10 C ATOM 1002 OG1 THR A 66 -13.271 -2.921 -5.483 1.00 35.14 O ATOM 1003 CG2 THR A 66 -11.141 -2.601 -6.576 1.00 22.03 C ATOM 0 H THR A 66 -11.632 -1.084 -4.485 1.00 75.34 H new ATOM 0 HA THR A 66 -12.254 -0.116 -7.044 1.00 11.25 H new ATOM 0 HB THR A 66 -13.069 -2.383 -7.469 1.00 40.10 H new ATOM 0 HG1 THR A 66 -13.192 -3.880 -5.670 1.00 35.14 H new ATOM 0 HG21 THR A 66 -11.082 -3.671 -6.775 1.00 22.03 H new ATOM 0 HG22 THR A 66 -10.641 -2.055 -7.376 1.00 22.03 H new ATOM 0 HG23 THR A 66 -10.653 -2.381 -5.627 1.00 22.03 H new ATOM 1011 N SER A 67 -14.721 -0.245 -4.923 1.00 45.14 N ATOM 1012 CA SER A 67 -16.121 0.096 -4.706 1.00 12.22 C ATOM 1013 C SER A 67 -16.487 1.380 -5.445 1.00 50.50 C ATOM 1014 O SER A 67 -17.537 1.464 -6.083 1.00 41.24 O ATOM 1015 CB SER A 67 -16.404 0.257 -3.211 1.00 32.25 C ATOM 1016 OG SER A 67 -17.412 1.226 -2.983 1.00 35.45 O ATOM 0 H SER A 67 -14.197 -0.439 -4.069 1.00 45.14 H new ATOM 0 HA SER A 67 -16.732 -0.717 -5.098 1.00 12.22 H new ATOM 0 HB2 SER A 67 -16.714 -0.700 -2.792 1.00 32.25 H new ATOM 0 HB3 SER A 67 -15.490 0.550 -2.694 1.00 32.25 H new ATOM 0 HG SER A 67 -17.575 1.308 -2.020 1.00 35.45 H new ATOM 1021 N MET A 68 -15.615 2.378 -5.353 1.00 63.43 N ATOM 1022 CA MET A 68 -15.845 3.657 -6.013 1.00 34.31 C ATOM 1023 C MET A 68 -14.731 3.962 -7.011 1.00 54.13 C ATOM 1024 O MET A 68 -14.915 3.836 -8.221 1.00 31.31 O ATOM 1025 CB MET A 68 -15.940 4.780 -4.979 1.00 3.41 C ATOM 1026 CG MET A 68 -15.228 4.466 -3.674 1.00 43.04 C ATOM 1027 SD MET A 68 -14.744 5.950 -2.771 1.00 11.04 S ATOM 1028 CE MET A 68 -15.413 5.592 -1.148 1.00 1.11 C ATOM 0 H MET A 68 -14.742 2.326 -4.828 1.00 63.43 H new ATOM 0 HA MET A 68 -16.788 3.592 -6.556 1.00 34.31 H new ATOM 0 HB2 MET A 68 -15.518 5.691 -5.404 1.00 3.41 H new ATOM 0 HB3 MET A 68 -16.990 4.983 -4.771 1.00 3.41 H new ATOM 0 HG2 MET A 68 -15.880 3.860 -3.046 1.00 43.04 H new ATOM 0 HG3 MET A 68 -14.341 3.868 -3.883 1.00 43.04 H new ATOM 0 HE1 MET A 68 -15.194 6.420 -0.474 1.00 1.11 H new ATOM 0 HE2 MET A 68 -16.492 5.459 -1.221 1.00 1.11 H new ATOM 0 HE3 MET A 68 -14.960 4.679 -0.761 1.00 1.11 H new ATOM 1036 N LYS A 69 -13.575 4.366 -6.494 1.00 45.14 N ATOM 1037 CA LYS A 69 -12.430 4.688 -7.337 1.00 61.42 C ATOM 1038 C LYS A 69 -11.209 3.865 -6.936 1.00 33.44 C ATOM 1039 O LYS A 69 -10.775 3.901 -5.786 1.00 12.21 O ATOM 1040 CB LYS A 69 -12.105 6.180 -7.243 1.00 12.25 C ATOM 1041 CG LYS A 69 -12.756 7.014 -8.333 1.00 22.51 C ATOM 1042 CD LYS A 69 -13.007 8.440 -7.871 1.00 44.04 C ATOM 1043 CE LYS A 69 -14.233 9.037 -8.545 1.00 71.52 C ATOM 1044 NZ LYS A 69 -15.481 8.737 -7.792 1.00 4.35 N ATOM 0 H LYS A 69 -13.407 4.478 -5.494 1.00 45.14 H new ATOM 0 HA LYS A 69 -12.689 4.443 -8.367 1.00 61.42 H new ATOM 0 HB2 LYS A 69 -12.427 6.553 -6.271 1.00 12.25 H new ATOM 0 HB3 LYS A 69 -11.024 6.312 -7.293 1.00 12.25 H new ATOM 0 HG2 LYS A 69 -12.116 7.024 -9.215 1.00 22.51 H new ATOM 0 HG3 LYS A 69 -13.700 6.555 -8.629 1.00 22.51 H new ATOM 0 HD2 LYS A 69 -13.142 8.455 -6.789 1.00 44.04 H new ATOM 0 HD3 LYS A 69 -12.134 9.054 -8.092 1.00 44.04 H new ATOM 0 HE2 LYS A 69 -14.111 10.117 -8.630 1.00 71.52 H new ATOM 0 HE3 LYS A 69 -14.317 8.645 -9.559 1.00 71.52 H new ATOM 0 HZ1 LYS A 69 -16.293 9.161 -8.284 1.00 4.35 H new ATOM 0 HZ2 LYS A 69 -15.611 7.707 -7.732 1.00 4.35 H new ATOM 0 HZ3 LYS A 69 -15.412 9.133 -6.833 1.00 4.35 H new ATOM 1054 N GLY A 70 -10.660 3.125 -7.895 1.00 50.44 N ATOM 1055 CA GLY A 70 -9.494 2.305 -7.622 1.00 74.25 C ATOM 1056 C GLY A 70 -8.334 3.112 -7.071 1.00 43.30 C ATOM 1057 O GLY A 70 -8.242 3.336 -5.863 1.00 21.44 O ATOM 0 H GLY A 70 -11.002 3.079 -8.855 1.00 50.44 H new ATOM 0 HA2 GLY A 70 -9.761 1.525 -6.909 1.00 74.25 H new ATOM 0 HA3 GLY A 70 -9.182 1.805 -8.539 1.00 74.25 H new ATOM 1061 N LEU A 71 -7.445 3.548 -7.957 1.00 15.30 N ATOM 1062 CA LEU A 71 -6.285 4.334 -7.552 1.00 62.44 C ATOM 1063 C LEU A 71 -6.683 5.771 -7.234 1.00 4.20 C ATOM 1064 O LEU A 71 -5.919 6.516 -6.619 1.00 1.21 O ATOM 1065 CB LEU A 71 -5.225 4.319 -8.656 1.00 44.21 C ATOM 1066 CG LEU A 71 -3.843 4.846 -8.267 1.00 11.33 C ATOM 1067 CD1 LEU A 71 -2.913 3.696 -7.912 1.00 31.40 C ATOM 1068 CD2 LEU A 71 -3.255 5.683 -9.393 1.00 31.21 C ATOM 0 H LEU A 71 -7.505 3.371 -8.960 1.00 15.30 H new ATOM 0 HA LEU A 71 -5.870 3.885 -6.650 1.00 62.44 H new ATOM 0 HB2 LEU A 71 -5.114 3.295 -9.012 1.00 44.21 H new ATOM 0 HB3 LEU A 71 -5.594 4.910 -9.495 1.00 44.21 H new ATOM 0 HG LEU A 71 -3.952 5.482 -7.388 1.00 11.33 H new ATOM 0 HD11 LEU A 71 -1.935 4.091 -7.638 1.00 31.40 H new ATOM 0 HD12 LEU A 71 -3.328 3.139 -7.072 1.00 31.40 H new ATOM 0 HD13 LEU A 71 -2.809 3.033 -8.771 1.00 31.40 H new ATOM 0 HD21 LEU A 71 -2.272 6.050 -9.099 1.00 31.21 H new ATOM 0 HD22 LEU A 71 -3.160 5.071 -10.290 1.00 31.21 H new ATOM 0 HD23 LEU A 71 -3.911 6.529 -9.598 1.00 31.21 H new ATOM 1079 N ASP A 72 -7.883 6.153 -7.655 1.00 13.04 N ATOM 1080 CA ASP A 72 -8.386 7.501 -7.412 1.00 71.14 C ATOM 1081 C ASP A 72 -9.047 7.595 -6.041 1.00 71.32 C ATOM 1082 O ASP A 72 -9.668 8.604 -5.707 1.00 12.53 O ATOM 1083 CB ASP A 72 -9.382 7.901 -8.502 1.00 11.52 C ATOM 1084 CG ASP A 72 -8.715 8.603 -9.667 1.00 73.42 C ATOM 1085 OD1 ASP A 72 -7.837 7.986 -10.308 1.00 35.42 O ATOM 1086 OD2 ASP A 72 -9.069 9.768 -9.940 1.00 0.33 O ATOM 0 H ASP A 72 -8.526 5.549 -8.166 1.00 13.04 H new ATOM 0 HA ASP A 72 -7.540 8.188 -7.435 1.00 71.14 H new ATOM 0 HB2 ASP A 72 -9.896 7.011 -8.864 1.00 11.52 H new ATOM 0 HB3 ASP A 72 -10.141 8.556 -8.074 1.00 11.52 H new ATOM 1090 N THR A 73 -8.909 6.537 -5.249 1.00 42.25 N ATOM 1091 CA THR A 73 -9.494 6.499 -3.914 1.00 61.10 C ATOM 1092 C THR A 73 -8.922 7.601 -3.031 1.00 31.15 C ATOM 1093 O THR A 73 -7.734 7.910 -3.101 1.00 61.35 O ATOM 1094 CB THR A 73 -9.257 5.137 -3.235 1.00 71.34 C ATOM 1095 OG1 THR A 73 -10.446 4.343 -3.298 1.00 73.44 O ATOM 1096 CG2 THR A 73 -8.841 5.322 -1.784 1.00 51.25 C ATOM 0 H THR A 73 -8.397 5.694 -5.509 1.00 42.25 H new ATOM 0 HA THR A 73 -10.566 6.654 -4.035 1.00 61.10 H new ATOM 0 HB THR A 73 -8.453 4.627 -3.766 1.00 71.34 H new ATOM 0 HG1 THR A 73 -10.781 4.328 -4.219 1.00 73.44 H new ATOM 0 HG21 THR A 73 -8.679 4.347 -1.325 1.00 51.25 H new ATOM 0 HG22 THR A 73 -7.918 5.901 -1.741 1.00 51.25 H new ATOM 0 HG23 THR A 73 -9.627 5.851 -1.245 1.00 51.25 H new ATOM 1104 N GLU A 74 -9.776 8.191 -2.201 1.00 0.15 N ATOM 1105 CA GLU A 74 -9.354 9.261 -1.305 1.00 4.00 C ATOM 1106 C GLU A 74 -9.185 8.742 0.120 1.00 41.14 C ATOM 1107 O GLU A 74 -10.040 8.022 0.635 1.00 10.14 O ATOM 1108 CB GLU A 74 -10.370 10.405 -1.324 1.00 24.31 C ATOM 1109 CG GLU A 74 -10.671 10.928 -2.719 1.00 42.05 C ATOM 1110 CD GLU A 74 -11.701 12.040 -2.715 1.00 21.24 C ATOM 1111 OE1 GLU A 74 -12.890 11.747 -2.466 1.00 31.13 O ATOM 1112 OE2 GLU A 74 -11.320 13.203 -2.961 1.00 72.33 O ATOM 0 H GLU A 74 -10.764 7.946 -2.130 1.00 0.15 H new ATOM 0 HA GLU A 74 -8.392 9.634 -1.656 1.00 4.00 H new ATOM 0 HB2 GLU A 74 -11.298 10.064 -0.865 1.00 24.31 H new ATOM 0 HB3 GLU A 74 -9.994 11.224 -0.711 1.00 24.31 H new ATOM 0 HG2 GLU A 74 -9.750 11.293 -3.173 1.00 42.05 H new ATOM 0 HG3 GLU A 74 -11.030 10.108 -3.341 1.00 42.05 H new ATOM 1117 N ILE A 75 -8.074 9.111 0.750 1.00 43.01 N ATOM 1118 CA ILE A 75 -7.792 8.682 2.114 1.00 12.43 C ATOM 1119 C ILE A 75 -7.477 9.875 3.011 1.00 75.32 C ATOM 1120 O ILE A 75 -6.486 10.576 2.804 1.00 34.52 O ATOM 1121 CB ILE A 75 -6.614 7.693 2.161 1.00 42.45 C ATOM 1122 CG1 ILE A 75 -5.466 8.190 1.282 1.00 23.31 C ATOM 1123 CG2 ILE A 75 -7.066 6.309 1.720 1.00 32.31 C ATOM 1124 CD1 ILE A 75 -4.270 7.263 1.265 1.00 10.54 C ATOM 0 H ILE A 75 -7.355 9.706 0.337 1.00 43.01 H new ATOM 0 HA ILE A 75 -8.689 8.182 2.480 1.00 12.43 H new ATOM 0 HB ILE A 75 -6.256 7.626 3.188 1.00 42.45 H new ATOM 0 HG12 ILE A 75 -5.830 8.319 0.263 1.00 23.31 H new ATOM 0 HG13 ILE A 75 -5.149 9.172 1.634 1.00 23.31 H new ATOM 0 HG21 ILE A 75 -6.222 5.621 1.759 1.00 32.31 H new ATOM 0 HG22 ILE A 75 -7.854 5.954 2.385 1.00 32.31 H new ATOM 0 HG23 ILE A 75 -7.447 6.359 0.700 1.00 32.31 H new ATOM 0 HD11 ILE A 75 -3.496 7.680 0.621 1.00 10.54 H new ATOM 0 HD12 ILE A 75 -3.880 7.153 2.277 1.00 10.54 H new ATOM 0 HD13 ILE A 75 -4.571 6.287 0.885 1.00 10.54 H new ATOM 1135 N LYS A 76 -8.323 10.098 4.010 1.00 10.14 N ATOM 1136 CA LYS A 76 -8.135 11.205 4.941 1.00 45.03 C ATOM 1137 C LYS A 76 -7.174 10.814 6.060 1.00 54.13 C ATOM 1138 O LYS A 76 -6.766 9.658 6.167 1.00 4.14 O ATOM 1139 CB LYS A 76 -9.478 11.634 5.534 1.00 21.34 C ATOM 1140 CG LYS A 76 -10.505 12.030 4.488 1.00 12.34 C ATOM 1141 CD LYS A 76 -11.511 13.025 5.043 1.00 1.15 C ATOM 1142 CE LYS A 76 -11.006 14.454 4.924 1.00 52.51 C ATOM 1143 NZ LYS A 76 -11.986 15.436 5.464 1.00 20.12 N ATOM 0 H LYS A 76 -9.147 9.526 4.196 1.00 10.14 H new ATOM 0 HA LYS A 76 -7.705 12.042 4.391 1.00 45.03 H new ATOM 0 HB2 LYS A 76 -9.879 10.817 6.134 1.00 21.34 H new ATOM 0 HB3 LYS A 76 -9.316 12.475 6.209 1.00 21.34 H new ATOM 0 HG2 LYS A 76 -9.999 12.465 3.626 1.00 12.34 H new ATOM 0 HG3 LYS A 76 -11.028 11.141 4.135 1.00 12.34 H new ATOM 0 HD2 LYS A 76 -12.455 12.926 4.508 1.00 1.15 H new ATOM 0 HD3 LYS A 76 -11.712 12.795 6.089 1.00 1.15 H new ATOM 0 HE2 LYS A 76 -10.062 14.551 5.460 1.00 52.51 H new ATOM 0 HE3 LYS A 76 -10.803 14.681 3.877 1.00 52.51 H new ATOM 0 HZ1 LYS A 76 -11.604 16.398 5.364 1.00 20.12 H new ATOM 0 HZ2 LYS A 76 -12.879 15.361 4.936 1.00 20.12 H new ATOM 0 HZ3 LYS A 76 -12.160 15.235 6.469 1.00 20.12 H new ATOM 1153 N ASP A 77 -6.818 11.787 6.893 1.00 45.21 N ATOM 1154 CA ASP A 77 -5.907 11.545 8.006 1.00 43.40 C ATOM 1155 C ASP A 77 -6.446 10.448 8.919 1.00 44.22 C ATOM 1156 O ASP A 77 -5.680 9.737 9.571 1.00 3.32 O ATOM 1157 CB ASP A 77 -5.691 12.830 8.805 1.00 11.22 C ATOM 1158 CG ASP A 77 -6.939 13.268 9.548 1.00 24.32 C ATOM 1159 OD1 ASP A 77 -8.029 13.243 8.940 1.00 34.12 O ATOM 1160 OD2 ASP A 77 -6.825 13.634 10.736 1.00 1.44 O ATOM 0 H ASP A 77 -7.146 12.750 6.818 1.00 45.21 H new ATOM 0 HA ASP A 77 -4.952 11.217 7.597 1.00 43.40 H new ATOM 0 HB2 ASP A 77 -4.881 12.679 9.519 1.00 11.22 H new ATOM 0 HB3 ASP A 77 -5.376 13.625 8.130 1.00 11.22 H new ATOM 1164 N ASP A 78 -7.767 10.316 8.963 1.00 12.45 N ATOM 1165 CA ASP A 78 -8.408 9.307 9.797 1.00 2.05 C ATOM 1166 C ASP A 78 -8.350 7.936 9.131 1.00 23.21 C ATOM 1167 O ASP A 78 -8.195 6.915 9.801 1.00 61.03 O ATOM 1168 CB ASP A 78 -9.863 9.691 10.073 1.00 55.53 C ATOM 1169 CG ASP A 78 -10.439 8.956 11.268 1.00 61.42 C ATOM 1170 OD1 ASP A 78 -9.963 9.193 12.397 1.00 53.41 O ATOM 1171 OD2 ASP A 78 -11.365 8.141 11.072 1.00 21.24 O ATOM 0 H ASP A 78 -8.415 10.896 8.430 1.00 12.45 H new ATOM 0 HA ASP A 78 -7.868 9.256 10.742 1.00 2.05 H new ATOM 0 HB2 ASP A 78 -9.926 10.765 10.246 1.00 55.53 H new ATOM 0 HB3 ASP A 78 -10.466 9.474 9.191 1.00 55.53 H new ATOM 1175 N ASP A 79 -8.477 7.920 7.809 1.00 1.04 N ATOM 1176 CA ASP A 79 -8.439 6.674 7.051 1.00 1.40 C ATOM 1177 C ASP A 79 -7.201 5.858 7.409 1.00 61.53 C ATOM 1178 O ASP A 79 -6.188 6.406 7.844 1.00 11.20 O ATOM 1179 CB ASP A 79 -8.458 6.964 5.549 1.00 11.43 C ATOM 1180 CG ASP A 79 -9.834 7.362 5.054 1.00 14.11 C ATOM 1181 OD1 ASP A 79 -10.558 8.053 5.802 1.00 4.24 O ATOM 1182 OD2 ASP A 79 -10.187 6.985 3.917 1.00 74.32 O ATOM 0 H ASP A 79 -8.607 8.756 7.239 1.00 1.04 H new ATOM 0 HA ASP A 79 -9.323 6.092 7.311 1.00 1.40 H new ATOM 0 HB2 ASP A 79 -7.750 7.763 5.327 1.00 11.43 H new ATOM 0 HB3 ASP A 79 -8.122 6.080 5.007 1.00 11.43 H new ATOM 1186 N LYS A 80 -7.290 4.546 7.225 1.00 63.42 N ATOM 1187 CA LYS A 80 -6.177 3.653 7.527 1.00 25.22 C ATOM 1188 C LYS A 80 -6.169 2.455 6.583 1.00 22.10 C ATOM 1189 O LYS A 80 -7.218 1.886 6.279 1.00 24.32 O ATOM 1190 CB LYS A 80 -6.263 3.172 8.977 1.00 74.15 C ATOM 1191 CG LYS A 80 -7.655 2.730 9.391 1.00 12.33 C ATOM 1192 CD LYS A 80 -7.710 2.362 10.864 1.00 52.23 C ATOM 1193 CE LYS A 80 -7.472 3.576 11.751 1.00 5.22 C ATOM 1194 NZ LYS A 80 -7.686 3.261 13.191 1.00 2.01 N ATOM 0 H LYS A 80 -8.122 4.076 6.868 1.00 63.42 H new ATOM 0 HA LYS A 80 -5.249 4.209 7.388 1.00 25.22 H new ATOM 0 HB2 LYS A 80 -5.571 2.342 9.117 1.00 74.15 H new ATOM 0 HB3 LYS A 80 -5.935 3.975 9.637 1.00 74.15 H new ATOM 0 HG2 LYS A 80 -8.367 3.530 9.189 1.00 12.33 H new ATOM 0 HG3 LYS A 80 -7.959 1.873 8.790 1.00 12.33 H new ATOM 0 HD2 LYS A 80 -8.682 1.926 11.095 1.00 52.23 H new ATOM 0 HD3 LYS A 80 -6.960 1.601 11.078 1.00 52.23 H new ATOM 0 HE2 LYS A 80 -6.454 3.938 11.606 1.00 5.22 H new ATOM 0 HE3 LYS A 80 -8.143 4.382 11.452 1.00 5.22 H new ATOM 0 HZ1 LYS A 80 -7.514 4.113 13.762 1.00 2.01 H new ATOM 0 HZ2 LYS A 80 -8.665 2.940 13.334 1.00 2.01 H new ATOM 0 HZ3 LYS A 80 -7.029 2.510 13.483 1.00 2.01 H new ATOM 1204 N ILE A 81 -4.981 2.077 6.125 1.00 21.10 N ATOM 1205 CA ILE A 81 -4.837 0.945 5.217 1.00 40.42 C ATOM 1206 C ILE A 81 -4.296 -0.280 5.948 1.00 4.34 C ATOM 1207 O ILE A 81 -3.323 -0.189 6.697 1.00 10.40 O ATOM 1208 CB ILE A 81 -3.902 1.281 4.041 1.00 31.11 C ATOM 1209 CG1 ILE A 81 -4.307 2.611 3.403 1.00 21.44 C ATOM 1210 CG2 ILE A 81 -3.926 0.163 3.009 1.00 40.24 C ATOM 1211 CD1 ILE A 81 -3.562 3.802 3.963 1.00 21.55 C ATOM 0 H ILE A 81 -4.104 2.538 6.367 1.00 21.10 H new ATOM 0 HA ILE A 81 -5.831 0.724 4.828 1.00 40.42 H new ATOM 0 HB ILE A 81 -2.885 1.377 4.421 1.00 31.11 H new ATOM 0 HG12 ILE A 81 -4.133 2.557 2.328 1.00 21.44 H new ATOM 0 HG13 ILE A 81 -5.377 2.762 3.546 1.00 21.44 H new ATOM 0 HG21 ILE A 81 -3.260 0.415 2.184 1.00 40.24 H new ATOM 0 HG22 ILE A 81 -3.594 -0.767 3.472 1.00 40.24 H new ATOM 0 HG23 ILE A 81 -4.941 0.038 2.631 1.00 40.24 H new ATOM 0 HD11 ILE A 81 -3.900 4.710 3.464 1.00 21.55 H new ATOM 0 HD12 ILE A 81 -3.755 3.882 5.033 1.00 21.55 H new ATOM 0 HD13 ILE A 81 -2.493 3.673 3.796 1.00 21.55 H new ATOM 1222 N ASP A 82 -4.933 -1.424 5.724 1.00 60.25 N ATOM 1223 CA ASP A 82 -4.513 -2.669 6.359 1.00 21.45 C ATOM 1224 C ASP A 82 -4.384 -3.787 5.329 1.00 41.01 C ATOM 1225 O ASP A 82 -5.270 -3.984 4.495 1.00 53.33 O ATOM 1226 CB ASP A 82 -5.511 -3.073 7.445 1.00 54.45 C ATOM 1227 CG ASP A 82 -5.021 -4.244 8.275 1.00 24.44 C ATOM 1228 OD1 ASP A 82 -3.861 -4.665 8.079 1.00 5.35 O ATOM 1229 OD2 ASP A 82 -5.797 -4.738 9.118 1.00 44.34 O ATOM 0 H ASP A 82 -5.741 -1.516 5.108 1.00 60.25 H new ATOM 0 HA ASP A 82 -3.537 -2.505 6.815 1.00 21.45 H new ATOM 0 HB2 ASP A 82 -5.697 -2.221 8.099 1.00 54.45 H new ATOM 0 HB3 ASP A 82 -6.463 -3.333 6.981 1.00 54.45 H new ATOM 1233 N LEU A 83 -3.276 -4.516 5.391 1.00 42.31 N ATOM 1234 CA LEU A 83 -3.029 -5.615 4.463 1.00 50.31 C ATOM 1235 C LEU A 83 -3.105 -6.960 5.180 1.00 12.23 C ATOM 1236 O LEU A 83 -2.635 -7.101 6.309 1.00 62.12 O ATOM 1237 CB LEU A 83 -1.660 -5.453 3.803 1.00 32.32 C ATOM 1238 CG LEU A 83 -1.383 -6.357 2.601 1.00 13.24 C ATOM 1239 CD1 LEU A 83 -1.091 -5.524 1.362 1.00 43.42 C ATOM 1240 CD2 LEU A 83 -0.226 -7.300 2.898 1.00 75.31 C ATOM 0 H LEU A 83 -2.534 -4.366 6.074 1.00 42.31 H new ATOM 0 HA LEU A 83 -3.801 -5.590 3.694 1.00 50.31 H new ATOM 0 HB2 LEU A 83 -1.553 -4.416 3.485 1.00 32.32 H new ATOM 0 HB3 LEU A 83 -0.892 -5.637 4.555 1.00 32.32 H new ATOM 0 HG LEU A 83 -2.273 -6.956 2.409 1.00 13.24 H new ATOM 0 HD11 LEU A 83 -0.896 -6.185 0.517 1.00 43.42 H new ATOM 0 HD12 LEU A 83 -1.950 -4.892 1.138 1.00 43.42 H new ATOM 0 HD13 LEU A 83 -0.217 -4.898 1.542 1.00 43.42 H new ATOM 0 HD21 LEU A 83 -0.043 -7.936 2.032 1.00 75.31 H new ATOM 0 HD22 LEU A 83 0.670 -6.719 3.117 1.00 75.31 H new ATOM 0 HD23 LEU A 83 -0.475 -7.922 3.758 1.00 75.31 H new ATOM 1251 N PHE A 84 -3.699 -7.946 4.515 1.00 74.13 N ATOM 1252 CA PHE A 84 -3.834 -9.280 5.087 1.00 41.34 C ATOM 1253 C PHE A 84 -3.326 -10.342 4.117 1.00 21.51 C ATOM 1254 O PHE A 84 -3.428 -10.205 2.897 1.00 73.53 O ATOM 1255 CB PHE A 84 -5.296 -9.558 5.446 1.00 74.44 C ATOM 1256 CG PHE A 84 -5.723 -8.933 6.744 1.00 22.34 C ATOM 1257 CD1 PHE A 84 -4.994 -9.145 7.902 1.00 4.43 C ATOM 1258 CD2 PHE A 84 -6.854 -8.135 6.804 1.00 71.32 C ATOM 1259 CE1 PHE A 84 -5.386 -8.572 9.098 1.00 20.14 C ATOM 1260 CE2 PHE A 84 -7.250 -7.559 7.996 1.00 40.31 C ATOM 1261 CZ PHE A 84 -6.515 -7.778 9.145 1.00 21.23 C ATOM 0 H PHE A 84 -4.094 -7.846 3.580 1.00 74.13 H new ATOM 0 HA PHE A 84 -3.230 -9.323 5.993 1.00 41.34 H new ATOM 0 HB2 PHE A 84 -5.936 -9.187 4.645 1.00 74.44 H new ATOM 0 HB3 PHE A 84 -5.449 -10.636 5.503 1.00 74.44 H new ATOM 0 HD1 PHE A 84 -4.110 -9.764 7.871 1.00 4.43 H new ATOM 0 HD2 PHE A 84 -7.433 -7.961 5.909 1.00 71.32 H new ATOM 0 HE1 PHE A 84 -4.810 -8.745 9.995 1.00 20.14 H new ATOM 0 HE2 PHE A 84 -8.133 -6.938 8.029 1.00 40.31 H new ATOM 0 HZ PHE A 84 -6.823 -7.329 10.078 1.00 21.23 H new ATOM 1270 N PRO A 85 -2.766 -11.429 4.669 1.00 14.10 N ATOM 1271 CA PRO A 85 -2.231 -12.536 3.872 1.00 31.42 C ATOM 1272 C PRO A 85 -3.329 -13.335 3.178 1.00 4.30 C ATOM 1273 O PRO A 85 -4.507 -13.244 3.523 1.00 42.21 O ATOM 1274 CB PRO A 85 -1.510 -13.403 4.907 1.00 24.34 C ATOM 1275 CG PRO A 85 -2.194 -13.102 6.195 1.00 10.14 C ATOM 1276 CD PRO A 85 -2.612 -11.659 6.115 1.00 53.24 C ATOM 0 HA PRO A 85 -1.585 -12.184 3.068 1.00 31.42 H new ATOM 0 HB2 PRO A 85 -1.584 -14.461 4.657 1.00 24.34 H new ATOM 0 HB3 PRO A 85 -0.448 -13.160 4.956 1.00 24.34 H new ATOM 0 HG2 PRO A 85 -3.058 -13.751 6.339 1.00 10.14 H new ATOM 0 HG3 PRO A 85 -1.526 -13.268 7.040 1.00 10.14 H new ATOM 0 HD2 PRO A 85 -3.544 -11.480 6.652 1.00 53.24 H new ATOM 0 HD3 PRO A 85 -1.862 -10.998 6.549 1.00 53.24 H new ATOM 1281 N PRO A 86 -2.937 -14.138 2.178 1.00 34.42 N ATOM 1282 CA PRO A 86 -3.873 -14.969 1.416 1.00 41.22 C ATOM 1283 C PRO A 86 -4.436 -16.117 2.247 1.00 1.44 C ATOM 1284 O PRO A 86 -3.762 -16.646 3.132 1.00 32.22 O ATOM 1285 CB PRO A 86 -3.016 -15.509 0.270 1.00 21.45 C ATOM 1286 CG PRO A 86 -1.622 -15.482 0.792 1.00 13.31 C ATOM 1287 CD PRO A 86 -1.549 -14.295 1.713 1.00 52.25 C ATOM 0 HA PRO A 86 -4.744 -14.404 1.085 1.00 41.22 H new ATOM 0 HB2 PRO A 86 -3.316 -16.520 -0.006 1.00 21.45 H new ATOM 0 HB3 PRO A 86 -3.116 -14.892 -0.623 1.00 21.45 H new ATOM 0 HG2 PRO A 86 -1.386 -16.404 1.324 1.00 13.31 H new ATOM 0 HG3 PRO A 86 -0.902 -15.390 -0.021 1.00 13.31 H new ATOM 0 HD2 PRO A 86 -0.865 -14.472 2.543 1.00 52.25 H new ATOM 0 HD3 PRO A 86 -1.196 -13.404 1.193 1.00 52.25 H new ATOM 1292 N VAL A 87 -5.676 -16.499 1.957 1.00 61.52 N ATOM 1293 CA VAL A 87 -6.330 -17.586 2.676 1.00 61.05 C ATOM 1294 C VAL A 87 -5.476 -18.850 2.656 1.00 31.42 C ATOM 1295 O VAL A 87 -5.475 -19.625 3.611 1.00 65.14 O ATOM 1296 CB VAL A 87 -7.712 -17.904 2.077 1.00 10.52 C ATOM 1297 CG1 VAL A 87 -8.632 -16.698 2.186 1.00 3.24 C ATOM 1298 CG2 VAL A 87 -7.576 -18.351 0.630 1.00 62.45 C ATOM 0 H VAL A 87 -6.248 -16.071 1.229 1.00 61.52 H new ATOM 0 HA VAL A 87 -6.457 -17.253 3.706 1.00 61.05 H new ATOM 0 HB VAL A 87 -8.155 -18.722 2.646 1.00 10.52 H new ATOM 0 HG11 VAL A 87 -9.604 -16.942 1.757 1.00 3.24 H new ATOM 0 HG12 VAL A 87 -8.755 -16.428 3.235 1.00 3.24 H new ATOM 0 HG13 VAL A 87 -8.197 -15.858 1.644 1.00 3.24 H new ATOM 0 HG21 VAL A 87 -8.563 -18.572 0.223 1.00 62.45 H new ATOM 0 HG22 VAL A 87 -7.112 -17.556 0.046 1.00 62.45 H new ATOM 0 HG23 VAL A 87 -6.956 -19.246 0.582 1.00 62.45 H new ATOM 1308 N ALA A 88 -4.750 -19.049 1.561 1.00 70.01 N ATOM 1309 CA ALA A 88 -3.890 -20.217 1.416 1.00 52.30 C ATOM 1310 C ALA A 88 -2.438 -19.870 1.724 1.00 71.34 C ATOM 1311 O ALA A 88 -1.516 -20.426 1.127 1.00 13.53 O ATOM 1312 CB ALA A 88 -4.012 -20.793 0.014 1.00 34.20 C ATOM 0 H ALA A 88 -4.740 -18.416 0.761 1.00 70.01 H new ATOM 0 HA ALA A 88 -4.217 -20.969 2.134 1.00 52.30 H new ATOM 0 HB1 ALA A 88 -3.364 -21.665 -0.079 1.00 34.20 H new ATOM 0 HB2 ALA A 88 -5.045 -21.088 -0.170 1.00 34.20 H new ATOM 0 HB3 ALA A 88 -3.714 -20.040 -0.716 1.00 34.20 H new ATOM 1318 N GLY A 89 -2.240 -18.946 2.660 1.00 62.41 N ATOM 1319 CA GLY A 89 -0.895 -18.541 3.029 1.00 14.45 C ATOM 1320 C GLY A 89 -0.212 -19.551 3.929 1.00 71.00 C ATOM 1321 O GLY A 89 0.527 -20.414 3.457 1.00 14.04 O ATOM 0 H GLY A 89 -2.986 -18.471 3.169 1.00 62.41 H new ATOM 0 HA2 GLY A 89 -0.300 -18.403 2.126 1.00 14.45 H new ATOM 0 HA3 GLY A 89 -0.935 -17.577 3.535 1.00 14.45 H new ATOM 1325 N GLY A 90 -0.457 -19.442 5.232 1.00 25.23 N ATOM 1326 CA GLY A 90 0.149 -20.359 6.180 1.00 74.32 C ATOM 1327 C GLY A 90 -0.236 -21.802 5.919 1.00 61.31 C ATOM 1328 O GLY A 90 0.283 -22.715 6.560 1.00 24.23 O ATOM 0 H GLY A 90 -1.064 -18.735 5.647 1.00 25.23 H new ATOM 0 HA2 GLY A 90 1.234 -20.261 6.132 1.00 74.32 H new ATOM 0 HA3 GLY A 90 -0.152 -20.083 7.191 1.00 74.32 H new TER 1332 GLY A 90