USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 963 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 82 ASN : amide:sc= 1.13 K(o=1.4,f=-4!) USER MOD Set 1.2: A 92 GLN : amide:sc= 0.253 X(o=1.4,f=0.88) USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.103) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 176:sc= 0.655 (180deg=0.645) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0243) USER MOD Single : A 14 CYS SG : rot -170:sc= -1.99 USER MOD Single : A 16 ASN : amide:sc= -1.03 K(o=-1,f=-4!) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.066) USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.243 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 165:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 140:sc= 0.142 USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0931) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0423) USER MOD Single : A 39 LYS NZ :NH3+ 140:sc= 0.902 (180deg=0.147) USER MOD Single : A 43 LYS NZ :NH3+ -179:sc= 1.11 (180deg=1.1) USER MOD Single : A 47 LYS NZ :NH3+ -127:sc= 0.431 (180deg=-0.826) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 0.329 (180deg=0.286) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 53 CYS SG : rot 45:sc= -2.87! USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= -0.017 (180deg=-0.214) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0601) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= 0.529 (180deg=0.29) USER MOD Single : A 74 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00909) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc=-3.7e-05 X(o=-3.7e-05,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -90:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 140:sc= -0.109 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -150:sc= 0.11 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= -0.0175 X(o=-0.018,f=-0.018) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0.175 K(o=0.17,f=-0.62) USER MOD Single : A 115 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.2) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.755 -16.517 5.765 1.00 22.53 N ATOM 2 CA MET A 1 11.887 -17.063 4.987 1.00 22.33 C ATOM 3 C MET A 1 11.389 -17.587 3.633 1.00 4.51 C ATOM 4 O MET A 1 11.893 -17.184 2.578 1.00 65.41 O ATOM 5 CB MET A 1 12.619 -18.181 5.787 1.00 24.10 C ATOM 6 CG MET A 1 13.829 -18.793 5.061 1.00 22.25 C ATOM 7 SD MET A 1 14.665 -20.089 6.011 1.00 23.51 S ATOM 8 CE MET A 1 15.380 -19.178 7.381 1.00 50.24 C ATOM 0 H1 MET A 1 11.101 -16.164 6.680 1.00 22.53 H new ATOM 0 H2 MET A 1 10.315 -15.736 5.237 1.00 22.53 H new ATOM 0 H3 MET A 1 10.051 -17.266 5.926 1.00 22.53 H new ATOM 0 HA MET A 1 12.605 -16.264 4.804 1.00 22.33 H new ATOM 0 HB2 MET A 1 12.952 -17.770 6.740 1.00 24.10 H new ATOM 0 HB3 MET A 1 11.907 -18.975 6.013 1.00 24.10 H new ATOM 0 HG2 MET A 1 13.499 -19.208 4.109 1.00 22.25 H new ATOM 0 HG3 MET A 1 14.544 -18.002 4.834 1.00 22.25 H new ATOM 0 HE1 MET A 1 16.061 -19.826 7.933 1.00 50.24 H new ATOM 0 HE2 MET A 1 15.928 -18.317 6.999 1.00 50.24 H new ATOM 0 HE3 MET A 1 14.586 -18.837 8.045 1.00 50.24 H new ATOM 20 N ALA A 2 10.394 -18.490 3.676 1.00 64.02 N ATOM 21 CA ALA A 2 9.779 -19.061 2.470 1.00 5.34 C ATOM 22 C ALA A 2 8.832 -18.035 1.825 1.00 20.21 C ATOM 23 O ALA A 2 7.705 -17.835 2.301 1.00 63.45 O ATOM 24 CB ALA A 2 9.038 -20.361 2.814 1.00 0.43 C ATOM 0 H ALA A 2 9.996 -18.842 4.546 1.00 64.02 H new ATOM 0 HA ALA A 2 10.561 -19.302 1.750 1.00 5.34 H new ATOM 0 HB1 ALA A 2 8.587 -20.773 1.911 1.00 0.43 H new ATOM 0 HB2 ALA A 2 9.742 -21.082 3.230 1.00 0.43 H new ATOM 0 HB3 ALA A 2 8.258 -20.152 3.546 1.00 0.43 H new ATOM 30 N GLY A 3 9.333 -17.357 0.779 1.00 40.34 N ATOM 31 CA GLY A 3 8.566 -16.355 0.042 1.00 52.53 C ATOM 32 C GLY A 3 7.505 -16.991 -0.845 1.00 24.22 C ATOM 33 O GLY A 3 7.834 -17.608 -1.863 1.00 33.42 O ATOM 0 H GLY A 3 10.280 -17.492 0.426 1.00 40.34 H new ATOM 0 HA2 GLY A 3 8.089 -15.673 0.746 1.00 52.53 H new ATOM 0 HA3 GLY A 3 9.242 -15.759 -0.571 1.00 52.53 H new ATOM 37 N LYS A 4 6.237 -16.870 -0.437 1.00 55.21 N ATOM 38 CA LYS A 4 5.096 -17.388 -1.196 1.00 1.21 C ATOM 39 C LYS A 4 4.918 -16.557 -2.490 1.00 31.34 C ATOM 40 O LYS A 4 5.325 -15.385 -2.544 1.00 71.41 O ATOM 41 CB LYS A 4 3.830 -17.369 -0.295 1.00 23.31 C ATOM 42 CG LYS A 4 2.654 -18.219 -0.804 1.00 0.25 C ATOM 43 CD LYS A 4 1.450 -18.225 0.168 1.00 11.42 C ATOM 44 CE LYS A 4 0.287 -19.071 -0.357 1.00 20.14 C ATOM 45 NZ LYS A 4 -0.869 -19.083 0.575 1.00 21.42 N ATOM 0 H LYS A 4 5.973 -16.408 0.433 1.00 55.21 H new ATOM 0 HA LYS A 4 5.269 -18.422 -1.496 1.00 1.21 H new ATOM 0 HB2 LYS A 4 4.106 -17.718 0.700 1.00 23.31 H new ATOM 0 HB3 LYS A 4 3.494 -16.338 -0.189 1.00 23.31 H new ATOM 0 HG2 LYS A 4 2.330 -17.839 -1.773 1.00 0.25 H new ATOM 0 HG3 LYS A 4 2.993 -19.243 -0.960 1.00 0.25 H new ATOM 0 HD2 LYS A 4 1.769 -18.610 1.136 1.00 11.42 H new ATOM 0 HD3 LYS A 4 1.110 -17.202 0.328 1.00 11.42 H new ATOM 0 HE2 LYS A 4 -0.033 -18.683 -1.324 1.00 20.14 H new ATOM 0 HE3 LYS A 4 0.629 -20.093 -0.521 1.00 20.14 H new ATOM 0 HZ1 LYS A 4 -1.655 -19.612 0.146 1.00 21.42 H new ATOM 0 HZ2 LYS A 4 -0.591 -19.539 1.467 1.00 21.42 H new ATOM 0 HZ3 LYS A 4 -1.172 -18.106 0.765 1.00 21.42 H new ATOM 59 N GLU A 5 4.299 -17.156 -3.521 1.00 4.34 N ATOM 60 CA GLU A 5 4.302 -16.609 -4.905 1.00 21.30 C ATOM 61 C GLU A 5 3.238 -15.500 -5.128 1.00 20.54 C ATOM 62 O GLU A 5 2.790 -15.266 -6.263 1.00 72.43 O ATOM 63 CB GLU A 5 4.165 -17.761 -5.957 1.00 14.43 C ATOM 64 CG GLU A 5 2.842 -18.571 -5.931 1.00 32.12 C ATOM 65 CD GLU A 5 2.717 -19.532 -4.735 1.00 4.24 C ATOM 66 OE1 GLU A 5 3.486 -20.512 -4.680 1.00 60.12 O ATOM 67 OE2 GLU A 5 1.881 -19.303 -3.840 1.00 25.32 O ATOM 0 H GLU A 5 3.782 -18.030 -3.428 1.00 4.34 H new ATOM 0 HA GLU A 5 5.268 -16.124 -5.048 1.00 21.30 H new ATOM 0 HB2 GLU A 5 4.281 -17.330 -6.951 1.00 14.43 H new ATOM 0 HB3 GLU A 5 4.993 -18.455 -5.812 1.00 14.43 H new ATOM 0 HG2 GLU A 5 2.003 -17.875 -5.914 1.00 32.12 H new ATOM 0 HG3 GLU A 5 2.762 -19.145 -6.854 1.00 32.12 H new ATOM 74 N LEU A 6 2.880 -14.790 -4.049 1.00 5.54 N ATOM 75 CA LEU A 6 2.022 -13.598 -4.101 1.00 3.14 C ATOM 76 C LEU A 6 2.920 -12.373 -4.293 1.00 1.34 C ATOM 77 O LEU A 6 3.539 -11.891 -3.332 1.00 63.13 O ATOM 78 CB LEU A 6 1.183 -13.460 -2.796 1.00 63.00 C ATOM 79 CG LEU A 6 -0.021 -14.441 -2.619 1.00 22.21 C ATOM 80 CD1 LEU A 6 0.398 -15.923 -2.680 1.00 74.23 C ATOM 81 CD2 LEU A 6 -0.779 -14.137 -1.314 1.00 1.24 C ATOM 0 H LEU A 6 3.182 -15.030 -3.105 1.00 5.54 H new ATOM 0 HA LEU A 6 1.321 -13.684 -4.931 1.00 3.14 H new ATOM 0 HB2 LEU A 6 1.854 -13.590 -1.947 1.00 63.00 H new ATOM 0 HB3 LEU A 6 0.800 -12.441 -2.746 1.00 63.00 H new ATOM 0 HG LEU A 6 -0.689 -14.275 -3.464 1.00 22.21 H new ATOM 0 HD11 LEU A 6 -0.481 -16.555 -2.551 1.00 74.23 H new ATOM 0 HD12 LEU A 6 0.856 -16.132 -3.647 1.00 74.23 H new ATOM 0 HD13 LEU A 6 1.115 -16.131 -1.886 1.00 74.23 H new ATOM 0 HD21 LEU A 6 -1.614 -14.830 -1.208 1.00 1.24 H new ATOM 0 HD22 LEU A 6 -0.104 -14.250 -0.466 1.00 1.24 H new ATOM 0 HD23 LEU A 6 -1.157 -13.115 -1.343 1.00 1.24 H new ATOM 93 N ARG A 7 3.006 -11.895 -5.542 1.00 25.53 N ATOM 94 CA ARG A 7 3.837 -10.742 -5.893 1.00 64.32 C ATOM 95 C ARG A 7 3.111 -9.450 -5.507 1.00 72.21 C ATOM 96 O ARG A 7 2.073 -9.115 -6.089 1.00 62.22 O ATOM 97 CB ARG A 7 4.186 -10.746 -7.402 1.00 71.50 C ATOM 98 CG ARG A 7 5.049 -9.539 -7.848 1.00 60.32 C ATOM 99 CD ARG A 7 5.488 -9.620 -9.316 1.00 20.42 C ATOM 100 NE ARG A 7 6.324 -10.809 -9.581 1.00 14.33 N ATOM 101 CZ ARG A 7 6.025 -11.807 -10.428 1.00 45.02 C ATOM 102 NH1 ARG A 7 4.881 -11.805 -11.115 1.00 54.40 N ATOM 103 NH2 ARG A 7 6.872 -12.814 -10.571 1.00 24.12 N ATOM 0 H ARG A 7 2.502 -12.297 -6.333 1.00 25.53 H new ATOM 0 HA ARG A 7 4.774 -10.803 -5.339 1.00 64.32 H new ATOM 0 HB2 ARG A 7 4.717 -11.668 -7.640 1.00 71.50 H new ATOM 0 HB3 ARG A 7 3.261 -10.752 -7.979 1.00 71.50 H new ATOM 0 HG2 ARG A 7 4.484 -8.620 -7.695 1.00 60.32 H new ATOM 0 HG3 ARG A 7 5.933 -9.479 -7.214 1.00 60.32 H new ATOM 0 HD2 ARG A 7 4.607 -9.647 -9.957 1.00 20.42 H new ATOM 0 HD3 ARG A 7 6.045 -8.720 -9.578 1.00 20.42 H new ATOM 0 HE ARG A 7 7.207 -10.878 -9.075 1.00 14.33 H new ATOM 0 HH11 ARG A 7 4.219 -11.038 -11.001 1.00 54.40 H new ATOM 0 HH12 ARG A 7 4.669 -12.571 -11.755 1.00 54.40 H new ATOM 0 HH21 ARG A 7 7.743 -12.827 -10.040 1.00 24.12 H new ATOM 0 HH22 ARG A 7 6.654 -13.577 -11.212 1.00 24.12 H new ATOM 117 N VAL A 8 3.644 -8.755 -4.493 1.00 10.33 N ATOM 118 CA VAL A 8 3.118 -7.464 -4.045 1.00 33.20 C ATOM 119 C VAL A 8 4.124 -6.374 -4.460 1.00 71.04 C ATOM 120 O VAL A 8 5.234 -6.323 -3.922 1.00 20.41 O ATOM 121 CB VAL A 8 2.896 -7.408 -2.478 1.00 10.54 C ATOM 122 CG1 VAL A 8 1.897 -6.293 -2.114 1.00 53.33 C ATOM 123 CG2 VAL A 8 2.474 -8.777 -1.883 1.00 43.21 C ATOM 0 H VAL A 8 4.453 -9.075 -3.961 1.00 10.33 H new ATOM 0 HA VAL A 8 2.143 -7.309 -4.508 1.00 33.20 H new ATOM 0 HB VAL A 8 3.857 -7.169 -2.023 1.00 10.54 H new ATOM 0 HG11 VAL A 8 1.756 -6.269 -1.033 1.00 53.33 H new ATOM 0 HG12 VAL A 8 2.286 -5.332 -2.451 1.00 53.33 H new ATOM 0 HG13 VAL A 8 0.941 -6.488 -2.600 1.00 53.33 H new ATOM 0 HG21 VAL A 8 2.336 -8.679 -0.806 1.00 43.21 H new ATOM 0 HG22 VAL A 8 1.539 -9.100 -2.341 1.00 43.21 H new ATOM 0 HG23 VAL A 8 3.250 -9.516 -2.083 1.00 43.21 H new ATOM 133 N GLU A 9 3.751 -5.537 -5.438 1.00 71.50 N ATOM 134 CA GLU A 9 4.592 -4.418 -5.912 1.00 31.30 C ATOM 135 C GLU A 9 3.909 -3.090 -5.570 1.00 22.52 C ATOM 136 O GLU A 9 2.985 -2.671 -6.266 1.00 14.23 O ATOM 137 CB GLU A 9 4.846 -4.524 -7.445 1.00 42.33 C ATOM 138 CG GLU A 9 5.718 -5.722 -7.861 1.00 53.11 C ATOM 139 CD GLU A 9 5.914 -5.836 -9.383 1.00 30.50 C ATOM 140 OE1 GLU A 9 4.990 -6.318 -10.075 1.00 64.03 O ATOM 141 OE2 GLU A 9 6.980 -5.428 -9.897 1.00 33.34 O ATOM 0 H GLU A 9 2.858 -5.613 -5.926 1.00 71.50 H new ATOM 0 HA GLU A 9 5.559 -4.465 -5.412 1.00 31.30 H new ATOM 0 HB2 GLU A 9 3.886 -4.593 -7.957 1.00 42.33 H new ATOM 0 HB3 GLU A 9 5.324 -3.606 -7.787 1.00 42.33 H new ATOM 0 HG2 GLU A 9 6.693 -5.636 -7.382 1.00 53.11 H new ATOM 0 HG3 GLU A 9 5.261 -6.640 -7.491 1.00 53.11 H new ATOM 148 N ILE A 10 4.346 -2.428 -4.489 1.00 13.33 N ATOM 149 CA ILE A 10 3.770 -1.130 -4.096 1.00 23.22 C ATOM 150 C ILE A 10 4.602 -0.020 -4.750 1.00 74.34 C ATOM 151 O ILE A 10 5.781 0.152 -4.424 1.00 62.13 O ATOM 152 CB ILE A 10 3.751 -0.921 -2.540 1.00 71.20 C ATOM 153 CG1 ILE A 10 3.197 -2.180 -1.799 1.00 11.44 C ATOM 154 CG2 ILE A 10 2.937 0.354 -2.169 1.00 50.05 C ATOM 155 CD1 ILE A 10 1.769 -2.548 -2.127 1.00 13.51 C ATOM 0 H ILE A 10 5.089 -2.764 -3.876 1.00 13.33 H new ATOM 0 HA ILE A 10 2.733 -1.103 -4.431 1.00 23.22 H new ATOM 0 HB ILE A 10 4.780 -0.778 -2.209 1.00 71.20 H new ATOM 0 HG12 ILE A 10 3.837 -3.030 -2.035 1.00 11.44 H new ATOM 0 HG13 ILE A 10 3.274 -2.012 -0.725 1.00 11.44 H new ATOM 0 HG21 ILE A 10 2.935 0.482 -1.087 1.00 50.05 H new ATOM 0 HG22 ILE A 10 3.394 1.226 -2.637 1.00 50.05 H new ATOM 0 HG23 ILE A 10 1.912 0.247 -2.523 1.00 50.05 H new ATOM 0 HD11 ILE A 10 1.482 -3.434 -1.561 1.00 13.51 H new ATOM 0 HD12 ILE A 10 1.110 -1.720 -1.864 1.00 13.51 H new ATOM 0 HD13 ILE A 10 1.682 -2.755 -3.194 1.00 13.51 H new ATOM 167 N LYS A 11 3.979 0.719 -5.672 1.00 11.34 N ATOM 168 CA LYS A 11 4.645 1.750 -6.471 1.00 21.23 C ATOM 169 C LYS A 11 4.480 3.106 -5.771 1.00 14.24 C ATOM 170 O LYS A 11 3.362 3.620 -5.624 1.00 63.23 O ATOM 171 CB LYS A 11 4.048 1.759 -7.920 1.00 2.02 C ATOM 172 CG LYS A 11 4.911 2.470 -9.004 1.00 51.35 C ATOM 173 CD LYS A 11 4.883 4.017 -8.929 1.00 33.14 C ATOM 174 CE LYS A 11 5.808 4.686 -9.958 1.00 11.41 C ATOM 175 NZ LYS A 11 5.450 4.329 -11.359 1.00 63.11 N ATOM 0 H LYS A 11 2.987 0.617 -5.887 1.00 11.34 H new ATOM 0 HA LYS A 11 5.711 1.541 -6.558 1.00 21.23 H new ATOM 0 HB2 LYS A 11 3.885 0.727 -8.232 1.00 2.02 H new ATOM 0 HB3 LYS A 11 3.071 2.241 -7.887 1.00 2.02 H new ATOM 0 HG2 LYS A 11 5.943 2.132 -8.909 1.00 51.35 H new ATOM 0 HG3 LYS A 11 4.563 2.160 -9.989 1.00 51.35 H new ATOM 0 HD2 LYS A 11 3.862 4.364 -9.087 1.00 33.14 H new ATOM 0 HD3 LYS A 11 5.175 4.332 -7.927 1.00 33.14 H new ATOM 0 HE2 LYS A 11 5.759 5.768 -9.838 1.00 11.41 H new ATOM 0 HE3 LYS A 11 6.839 4.390 -9.763 1.00 11.41 H new ATOM 0 HZ1 LYS A 11 6.046 4.869 -12.018 1.00 63.11 H new ATOM 0 HZ2 LYS A 11 5.603 3.311 -11.508 1.00 63.11 H new ATOM 0 HZ3 LYS A 11 4.450 4.557 -11.531 1.00 63.11 H new ATOM 189 N ILE A 12 5.610 3.666 -5.331 1.00 14.30 N ATOM 190 CA ILE A 12 5.675 5.011 -4.764 1.00 24.14 C ATOM 191 C ILE A 12 6.073 5.978 -5.893 1.00 22.42 C ATOM 192 O ILE A 12 7.178 5.896 -6.453 1.00 22.51 O ATOM 193 CB ILE A 12 6.700 5.095 -3.571 1.00 74.40 C ATOM 194 CG1 ILE A 12 6.448 3.945 -2.538 1.00 51.21 C ATOM 195 CG2 ILE A 12 6.643 6.485 -2.893 1.00 72.43 C ATOM 196 CD1 ILE A 12 5.041 3.894 -1.958 1.00 74.34 C ATOM 0 H ILE A 12 6.513 3.192 -5.360 1.00 14.30 H new ATOM 0 HA ILE A 12 4.702 5.280 -4.354 1.00 24.14 H new ATOM 0 HB ILE A 12 7.704 4.964 -3.974 1.00 74.40 H new ATOM 0 HG12 ILE A 12 6.660 2.991 -3.021 1.00 51.21 H new ATOM 0 HG13 ILE A 12 7.158 4.052 -1.718 1.00 51.21 H new ATOM 0 HG21 ILE A 12 7.359 6.519 -2.072 1.00 72.43 H new ATOM 0 HG22 ILE A 12 6.890 7.256 -3.623 1.00 72.43 H new ATOM 0 HG23 ILE A 12 5.639 6.660 -2.506 1.00 72.43 H new ATOM 0 HD11 ILE A 12 4.967 3.065 -1.254 1.00 74.34 H new ATOM 0 HD12 ILE A 12 4.827 4.829 -1.440 1.00 74.34 H new ATOM 0 HD13 ILE A 12 4.320 3.752 -2.763 1.00 74.34 H new ATOM 208 N ASP A 13 5.126 6.848 -6.248 1.00 43.51 N ATOM 209 CA ASP A 13 5.259 7.810 -7.345 1.00 4.13 C ATOM 210 C ASP A 13 5.450 9.208 -6.747 1.00 75.52 C ATOM 211 O ASP A 13 4.528 9.742 -6.124 1.00 11.02 O ATOM 212 CB ASP A 13 3.995 7.731 -8.235 1.00 43.11 C ATOM 213 CG ASP A 13 4.009 8.704 -9.423 1.00 24.31 C ATOM 214 OD1 ASP A 13 4.760 8.454 -10.388 1.00 63.13 O ATOM 215 OD2 ASP A 13 3.252 9.703 -9.407 1.00 42.24 O ATOM 0 H ASP A 13 4.226 6.905 -5.771 1.00 43.51 H new ATOM 0 HA ASP A 13 6.124 7.584 -7.968 1.00 4.13 H new ATOM 0 HB2 ASP A 13 3.891 6.714 -8.612 1.00 43.11 H new ATOM 0 HB3 ASP A 13 3.117 7.935 -7.622 1.00 43.11 H new ATOM 220 N CYS A 14 6.649 9.777 -6.930 1.00 52.34 N ATOM 221 CA CYS A 14 7.067 11.027 -6.266 1.00 42.00 C ATOM 222 C CYS A 14 7.938 11.875 -7.206 1.00 64.04 C ATOM 223 O CYS A 14 8.455 11.371 -8.205 1.00 62.14 O ATOM 224 CB CYS A 14 7.844 10.685 -4.976 1.00 60.01 C ATOM 225 SG CYS A 14 8.285 12.114 -3.961 1.00 55.43 S ATOM 0 H CYS A 14 7.362 9.384 -7.545 1.00 52.34 H new ATOM 0 HA CYS A 14 6.181 11.609 -6.011 1.00 42.00 H new ATOM 0 HB2 CYS A 14 7.243 10.002 -4.376 1.00 60.01 H new ATOM 0 HB3 CYS A 14 8.756 10.153 -5.247 1.00 60.01 H new ATOM 0 HG CYS A 14 9.106 11.744 -3.023 1.00 55.43 H new ATOM 231 N GLY A 15 8.087 13.171 -6.869 1.00 42.23 N ATOM 232 CA GLY A 15 8.947 14.104 -7.608 1.00 43.31 C ATOM 233 C GLY A 15 10.016 14.694 -6.699 1.00 73.22 C ATOM 234 O GLY A 15 10.108 15.918 -6.534 1.00 63.12 O ATOM 0 H GLY A 15 7.611 13.597 -6.074 1.00 42.23 H new ATOM 0 HA2 GLY A 15 9.419 13.586 -8.443 1.00 43.31 H new ATOM 0 HA3 GLY A 15 8.341 14.905 -8.032 1.00 43.31 H new ATOM 238 N ASN A 16 10.828 13.800 -6.103 1.00 24.54 N ATOM 239 CA ASN A 16 11.804 14.157 -5.049 1.00 53.30 C ATOM 240 C ASN A 16 13.185 13.537 -5.353 1.00 4.23 C ATOM 241 O ASN A 16 13.940 13.173 -4.440 1.00 23.25 O ATOM 242 CB ASN A 16 11.223 13.700 -3.680 1.00 71.55 C ATOM 243 CG ASN A 16 12.035 14.140 -2.455 1.00 64.05 C ATOM 244 OD1 ASN A 16 11.945 15.283 -2.009 1.00 11.32 O ATOM 245 ND2 ASN A 16 12.804 13.227 -1.883 1.00 21.14 N ATOM 0 H ASN A 16 10.828 12.807 -6.338 1.00 24.54 H new ATOM 0 HA ASN A 16 11.963 15.235 -5.016 1.00 53.30 H new ATOM 0 HB2 ASN A 16 10.209 14.088 -3.584 1.00 71.55 H new ATOM 0 HB3 ASN A 16 11.150 12.612 -3.678 1.00 71.55 H new ATOM 0 HD21 ASN A 16 13.342 13.463 -1.049 1.00 21.14 H new ATOM 0 HD22 ASN A 16 12.858 12.287 -2.276 1.00 21.14 H new ATOM 252 N ASP A 17 13.506 13.409 -6.667 1.00 1.35 N ATOM 253 CA ASP A 17 14.821 12.892 -7.147 1.00 60.03 C ATOM 254 C ASP A 17 14.999 11.379 -6.787 1.00 51.41 C ATOM 255 O ASP A 17 16.045 10.773 -7.048 1.00 44.41 O ATOM 256 CB ASP A 17 15.975 13.809 -6.590 1.00 3.23 C ATOM 257 CG ASP A 17 17.403 13.409 -7.004 1.00 35.53 C ATOM 258 OD1 ASP A 17 17.787 13.660 -8.162 1.00 3.13 O ATOM 259 OD2 ASP A 17 18.163 12.873 -6.159 1.00 54.31 O ATOM 0 H ASP A 17 12.867 13.659 -7.422 1.00 1.35 H new ATOM 0 HA ASP A 17 14.863 12.938 -8.235 1.00 60.03 H new ATOM 0 HB2 ASP A 17 15.793 14.832 -6.921 1.00 3.23 H new ATOM 0 HB3 ASP A 17 15.919 13.811 -5.501 1.00 3.23 H new ATOM 264 N ASP A 18 13.920 10.763 -6.239 1.00 33.03 N ATOM 265 CA ASP A 18 13.919 9.360 -5.771 1.00 15.33 C ATOM 266 C ASP A 18 13.885 8.373 -6.942 1.00 22.33 C ATOM 267 O ASP A 18 14.324 7.224 -6.778 1.00 34.31 O ATOM 268 CB ASP A 18 12.698 9.067 -4.844 1.00 73.44 C ATOM 269 CG ASP A 18 12.774 9.744 -3.465 1.00 41.21 C ATOM 270 OD1 ASP A 18 13.682 9.399 -2.683 1.00 54.54 O ATOM 271 OD2 ASP A 18 11.907 10.567 -3.127 1.00 42.23 O ATOM 0 H ASP A 18 13.023 11.232 -6.110 1.00 33.03 H new ATOM 0 HA ASP A 18 14.844 9.226 -5.211 1.00 15.33 H new ATOM 0 HB2 ASP A 18 11.788 9.394 -5.347 1.00 73.44 H new ATOM 0 HB3 ASP A 18 12.614 7.989 -4.703 1.00 73.44 H new ATOM 276 N LYS A 19 13.339 8.842 -8.098 1.00 41.43 N ATOM 277 CA LYS A 19 12.952 7.995 -9.247 1.00 53.24 C ATOM 278 C LYS A 19 11.678 7.183 -8.869 1.00 5.34 C ATOM 279 O LYS A 19 11.175 7.287 -7.733 1.00 44.34 O ATOM 280 CB LYS A 19 14.158 7.093 -9.707 1.00 41.30 C ATOM 281 CG LYS A 19 13.936 6.206 -10.952 1.00 41.41 C ATOM 282 CD LYS A 19 15.123 5.258 -11.237 1.00 32.43 C ATOM 283 CE LYS A 19 16.431 6.014 -11.526 1.00 43.05 C ATOM 284 NZ LYS A 19 16.318 6.865 -12.744 1.00 32.12 N ATOM 0 H LYS A 19 13.155 9.833 -8.254 1.00 41.43 H new ATOM 0 HA LYS A 19 12.704 8.613 -10.110 1.00 53.24 H new ATOM 0 HB2 LYS A 19 15.012 7.742 -9.902 1.00 41.30 H new ATOM 0 HB3 LYS A 19 14.433 6.445 -8.875 1.00 41.30 H new ATOM 0 HG2 LYS A 19 13.031 5.615 -10.813 1.00 41.41 H new ATOM 0 HG3 LYS A 19 13.770 6.843 -11.821 1.00 41.41 H new ATOM 0 HD2 LYS A 19 15.270 4.600 -10.381 1.00 32.43 H new ATOM 0 HD3 LYS A 19 14.879 4.623 -12.089 1.00 32.43 H new ATOM 0 HE2 LYS A 19 16.688 6.637 -10.669 1.00 43.05 H new ATOM 0 HE3 LYS A 19 17.244 5.299 -11.656 1.00 43.05 H new ATOM 0 HZ1 LYS A 19 17.246 7.279 -12.965 1.00 32.12 H new ATOM 0 HZ2 LYS A 19 15.998 6.284 -13.545 1.00 32.12 H new ATOM 0 HZ3 LYS A 19 15.631 7.627 -12.573 1.00 32.12 H new ATOM 298 N GLU A 20 11.112 6.439 -9.832 1.00 12.01 N ATOM 299 CA GLU A 20 10.069 5.443 -9.550 1.00 41.54 C ATOM 300 C GLU A 20 10.634 4.392 -8.561 1.00 60.32 C ATOM 301 O GLU A 20 11.639 3.732 -8.845 1.00 72.25 O ATOM 302 CB GLU A 20 9.578 4.794 -10.882 1.00 71.51 C ATOM 303 CG GLU A 20 10.699 4.208 -11.772 1.00 2.52 C ATOM 304 CD GLU A 20 10.190 3.603 -13.090 1.00 64.10 C ATOM 305 OE1 GLU A 20 9.710 2.452 -13.077 1.00 12.43 O ATOM 306 OE2 GLU A 20 10.261 4.277 -14.142 1.00 33.42 O ATOM 0 H GLU A 20 11.362 6.510 -10.818 1.00 12.01 H new ATOM 0 HA GLU A 20 9.204 5.917 -9.086 1.00 41.54 H new ATOM 0 HB2 GLU A 20 8.871 4.000 -10.643 1.00 71.51 H new ATOM 0 HB3 GLU A 20 9.033 5.544 -11.456 1.00 71.51 H new ATOM 0 HG2 GLU A 20 11.419 4.994 -11.998 1.00 2.52 H new ATOM 0 HG3 GLU A 20 11.231 3.439 -11.211 1.00 2.52 H new ATOM 313 N THR A 21 10.020 4.300 -7.373 1.00 34.34 N ATOM 314 CA THR A 21 10.478 3.425 -6.285 1.00 34.23 C ATOM 315 C THR A 21 9.366 2.432 -5.955 1.00 64.41 C ATOM 316 O THR A 21 8.355 2.797 -5.364 1.00 31.21 O ATOM 317 CB THR A 21 10.890 4.271 -5.018 1.00 33.10 C ATOM 318 OG1 THR A 21 9.938 5.328 -4.792 1.00 70.41 O ATOM 319 CG2 THR A 21 12.296 4.887 -5.154 1.00 44.40 C ATOM 0 H THR A 21 9.184 4.836 -7.138 1.00 34.34 H new ATOM 0 HA THR A 21 11.365 2.877 -6.602 1.00 34.23 H new ATOM 0 HB THR A 21 10.901 3.583 -4.173 1.00 33.10 H new ATOM 0 HG1 THR A 21 10.345 6.020 -4.231 1.00 70.41 H new ATOM 0 HG21 THR A 21 12.531 5.459 -4.256 1.00 44.40 H new ATOM 0 HG22 THR A 21 13.031 4.092 -5.281 1.00 44.40 H new ATOM 0 HG23 THR A 21 12.322 5.547 -6.021 1.00 44.40 H new ATOM 327 N THR A 22 9.546 1.175 -6.382 1.00 24.01 N ATOM 328 CA THR A 22 8.572 0.103 -6.167 1.00 2.12 C ATOM 329 C THR A 22 9.206 -0.972 -5.275 1.00 3.42 C ATOM 330 O THR A 22 10.379 -1.322 -5.453 1.00 41.23 O ATOM 331 CB THR A 22 8.097 -0.509 -7.532 1.00 0.54 C ATOM 332 OG1 THR A 22 7.947 0.538 -8.513 1.00 72.13 O ATOM 333 CG2 THR A 22 6.753 -1.238 -7.386 1.00 72.15 C ATOM 0 H THR A 22 10.378 0.874 -6.889 1.00 24.01 H new ATOM 0 HA THR A 22 7.690 0.511 -5.673 1.00 2.12 H new ATOM 0 HB THR A 22 8.854 -1.226 -7.850 1.00 0.54 H new ATOM 0 HG1 THR A 22 7.652 0.150 -9.363 1.00 72.13 H new ATOM 0 HG21 THR A 22 6.455 -1.649 -8.351 1.00 72.15 H new ATOM 0 HG22 THR A 22 6.855 -2.047 -6.663 1.00 72.15 H new ATOM 0 HG23 THR A 22 5.994 -0.536 -7.041 1.00 72.15 H new ATOM 341 N TYR A 23 8.446 -1.478 -4.306 1.00 35.13 N ATOM 342 CA TYR A 23 8.931 -2.463 -3.339 1.00 52.40 C ATOM 343 C TYR A 23 8.352 -3.831 -3.677 1.00 75.44 C ATOM 344 O TYR A 23 7.140 -3.955 -3.882 1.00 51.44 O ATOM 345 CB TYR A 23 8.556 -2.016 -1.900 1.00 42.20 C ATOM 346 CG TYR A 23 9.222 -0.689 -1.497 1.00 31.55 C ATOM 347 CD1 TYR A 23 10.584 -0.645 -1.179 1.00 33.21 C ATOM 348 CD2 TYR A 23 8.514 0.519 -1.477 1.00 22.00 C ATOM 349 CE1 TYR A 23 11.207 0.547 -0.853 1.00 1.32 C ATOM 350 CE2 TYR A 23 9.140 1.713 -1.159 1.00 65.44 C ATOM 351 CZ TYR A 23 10.487 1.722 -0.847 1.00 30.00 C ATOM 352 OH TYR A 23 11.117 2.914 -0.534 1.00 73.15 O ATOM 0 H TYR A 23 7.470 -1.215 -4.168 1.00 35.13 H new ATOM 0 HA TYR A 23 10.017 -2.535 -3.389 1.00 52.40 H new ATOM 0 HB2 TYR A 23 7.474 -1.911 -1.827 1.00 42.20 H new ATOM 0 HB3 TYR A 23 8.849 -2.794 -1.195 1.00 42.20 H new ATOM 0 HD1 TYR A 23 11.160 -1.559 -1.188 1.00 33.21 H new ATOM 0 HD2 TYR A 23 7.460 0.520 -1.714 1.00 22.00 H new ATOM 0 HE1 TYR A 23 12.258 0.556 -0.603 1.00 1.32 H new ATOM 0 HE2 TYR A 23 8.577 2.635 -1.155 1.00 65.44 H new ATOM 0 HH TYR A 23 10.548 3.665 -0.803 1.00 73.15 H new ATOM 362 N ASP A 24 9.233 -4.840 -3.777 1.00 63.25 N ATOM 363 CA ASP A 24 8.846 -6.238 -3.998 1.00 24.10 C ATOM 364 C ASP A 24 8.796 -6.950 -2.653 1.00 23.01 C ATOM 365 O ASP A 24 9.825 -7.374 -2.105 1.00 22.44 O ATOM 366 CB ASP A 24 9.836 -6.958 -4.945 1.00 21.14 C ATOM 367 CG ASP A 24 9.914 -6.295 -6.323 1.00 32.03 C ATOM 368 OD1 ASP A 24 10.728 -5.364 -6.499 1.00 62.13 O ATOM 369 OD2 ASP A 24 9.158 -6.685 -7.231 1.00 21.34 O ATOM 0 H ASP A 24 10.241 -4.704 -3.706 1.00 63.25 H new ATOM 0 HA ASP A 24 7.865 -6.260 -4.473 1.00 24.10 H new ATOM 0 HB2 ASP A 24 10.827 -6.965 -4.492 1.00 21.14 H new ATOM 0 HB3 ASP A 24 9.531 -7.998 -5.062 1.00 21.14 H new ATOM 374 N LEU A 25 7.592 -7.043 -2.120 1.00 62.43 N ATOM 375 CA LEU A 25 7.292 -7.766 -0.889 1.00 41.32 C ATOM 376 C LEU A 25 6.378 -8.938 -1.233 1.00 72.42 C ATOM 377 O LEU A 25 5.782 -8.978 -2.318 1.00 11.54 O ATOM 378 CB LEU A 25 6.654 -6.834 0.189 1.00 53.31 C ATOM 379 CG LEU A 25 5.442 -5.938 -0.242 1.00 54.03 C ATOM 380 CD1 LEU A 25 4.594 -5.502 0.962 1.00 3.05 C ATOM 381 CD2 LEU A 25 5.899 -4.689 -1.021 1.00 3.40 C ATOM 0 H LEU A 25 6.771 -6.607 -2.539 1.00 62.43 H new ATOM 0 HA LEU A 25 8.218 -8.140 -0.452 1.00 41.32 H new ATOM 0 HB2 LEU A 25 6.329 -7.458 1.021 1.00 53.31 H new ATOM 0 HB3 LEU A 25 7.437 -6.178 0.569 1.00 53.31 H new ATOM 0 HG LEU A 25 4.829 -6.557 -0.897 1.00 54.03 H new ATOM 0 HD11 LEU A 25 3.765 -4.883 0.618 1.00 3.05 H new ATOM 0 HD12 LEU A 25 4.202 -6.384 1.470 1.00 3.05 H new ATOM 0 HD13 LEU A 25 5.212 -4.929 1.654 1.00 3.05 H new ATOM 0 HD21 LEU A 25 5.028 -4.096 -1.301 1.00 3.40 H new ATOM 0 HD22 LEU A 25 6.560 -4.090 -0.394 1.00 3.40 H new ATOM 0 HD23 LEU A 25 6.433 -4.996 -1.920 1.00 3.40 H new ATOM 393 N TYR A 26 6.304 -9.913 -0.325 1.00 64.52 N ATOM 394 CA TYR A 26 5.555 -11.154 -0.538 1.00 51.32 C ATOM 395 C TYR A 26 4.706 -11.441 0.685 1.00 33.31 C ATOM 396 O TYR A 26 5.222 -11.499 1.816 1.00 54.23 O ATOM 397 CB TYR A 26 6.523 -12.331 -0.810 1.00 33.24 C ATOM 398 CG TYR A 26 7.380 -12.119 -2.065 1.00 32.12 C ATOM 399 CD1 TYR A 26 6.869 -12.386 -3.338 1.00 54.32 C ATOM 400 CD2 TYR A 26 8.680 -11.603 -1.982 1.00 73.31 C ATOM 401 CE1 TYR A 26 7.625 -12.151 -4.472 1.00 23.20 C ATOM 402 CE2 TYR A 26 9.436 -11.375 -3.112 1.00 45.41 C ATOM 403 CZ TYR A 26 8.902 -11.645 -4.353 1.00 44.30 C ATOM 404 OH TYR A 26 9.650 -11.408 -5.486 1.00 22.13 O ATOM 0 H TYR A 26 6.764 -9.864 0.584 1.00 64.52 H new ATOM 0 HA TYR A 26 4.909 -11.039 -1.408 1.00 51.32 H new ATOM 0 HB2 TYR A 26 7.176 -12.465 0.052 1.00 33.24 H new ATOM 0 HB3 TYR A 26 5.948 -13.250 -0.920 1.00 33.24 H new ATOM 0 HD1 TYR A 26 5.869 -12.782 -3.438 1.00 54.32 H new ATOM 0 HD2 TYR A 26 9.099 -11.379 -1.012 1.00 73.31 H new ATOM 0 HE1 TYR A 26 7.216 -12.363 -5.449 1.00 23.20 H new ATOM 0 HE2 TYR A 26 10.440 -10.987 -3.025 1.00 45.41 H new ATOM 0 HH TYR A 26 10.526 -11.051 -5.231 1.00 22.13 H new ATOM 414 N PHE A 27 3.394 -11.585 0.455 1.00 41.03 N ATOM 415 CA PHE A 27 2.467 -12.075 1.457 1.00 53.24 C ATOM 416 C PHE A 27 2.652 -13.600 1.541 1.00 63.20 C ATOM 417 O PHE A 27 2.048 -14.375 0.785 1.00 1.03 O ATOM 418 CB PHE A 27 1.006 -11.656 1.107 1.00 2.11 C ATOM 419 CG PHE A 27 -0.074 -12.091 2.127 1.00 65.13 C ATOM 420 CD1 PHE A 27 -0.547 -13.410 2.182 1.00 33.14 C ATOM 421 CD2 PHE A 27 -0.603 -11.184 3.042 1.00 63.34 C ATOM 422 CE1 PHE A 27 -1.487 -13.800 3.112 1.00 42.35 C ATOM 423 CE2 PHE A 27 -1.551 -11.580 3.969 1.00 13.03 C ATOM 424 CZ PHE A 27 -1.986 -12.888 4.004 1.00 40.53 C ATOM 0 H PHE A 27 2.954 -11.361 -0.438 1.00 41.03 H new ATOM 0 HA PHE A 27 2.668 -11.638 2.435 1.00 53.24 H new ATOM 0 HB2 PHE A 27 0.971 -10.571 1.008 1.00 2.11 H new ATOM 0 HB3 PHE A 27 0.750 -12.073 0.133 1.00 2.11 H new ATOM 0 HD1 PHE A 27 -0.166 -14.137 1.480 1.00 33.14 H new ATOM 0 HD2 PHE A 27 -0.269 -10.157 3.028 1.00 63.34 H new ATOM 0 HE1 PHE A 27 -1.830 -14.824 3.137 1.00 42.35 H new ATOM 0 HE2 PHE A 27 -1.952 -10.861 4.668 1.00 13.03 H new ATOM 0 HZ PHE A 27 -2.720 -13.193 4.735 1.00 40.53 H new ATOM 434 N SER A 28 3.602 -13.990 2.382 1.00 22.25 N ATOM 435 CA SER A 28 3.823 -15.382 2.779 1.00 51.21 C ATOM 436 C SER A 28 2.961 -15.708 4.013 1.00 54.41 C ATOM 437 O SER A 28 2.636 -16.873 4.274 1.00 65.34 O ATOM 438 CB SER A 28 5.322 -15.588 3.076 1.00 74.34 C ATOM 439 OG SER A 28 6.126 -15.137 1.993 1.00 1.10 O ATOM 0 H SER A 28 4.255 -13.338 2.817 1.00 22.25 H new ATOM 0 HA SER A 28 3.532 -16.056 1.974 1.00 51.21 H new ATOM 0 HB2 SER A 28 5.593 -15.049 3.983 1.00 74.34 H new ATOM 0 HB3 SER A 28 5.517 -16.644 3.262 1.00 74.34 H new ATOM 0 HG SER A 28 6.919 -14.679 2.343 1.00 1.10 H new ATOM 445 N LYS A 29 2.580 -14.641 4.736 1.00 73.14 N ATOM 446 CA LYS A 29 1.831 -14.709 5.994 1.00 11.23 C ATOM 447 C LYS A 29 1.280 -13.301 6.301 1.00 35.24 C ATOM 448 O LYS A 29 1.841 -12.307 5.822 1.00 1.13 O ATOM 449 CB LYS A 29 2.774 -15.213 7.122 1.00 54.33 C ATOM 450 CG LYS A 29 2.112 -15.539 8.470 1.00 53.31 C ATOM 451 CD LYS A 29 3.147 -15.975 9.536 1.00 62.25 C ATOM 452 CE LYS A 29 2.491 -16.372 10.866 1.00 5.13 C ATOM 453 NZ LYS A 29 1.603 -17.560 10.726 1.00 11.01 N ATOM 0 H LYS A 29 2.792 -13.685 4.451 1.00 73.14 H new ATOM 0 HA LYS A 29 0.996 -15.406 5.921 1.00 11.23 H new ATOM 0 HB2 LYS A 29 3.284 -16.108 6.766 1.00 54.33 H new ATOM 0 HB3 LYS A 29 3.540 -14.456 7.291 1.00 54.33 H new ATOM 0 HG2 LYS A 29 1.570 -14.664 8.828 1.00 53.31 H new ATOM 0 HG3 LYS A 29 1.379 -16.333 8.331 1.00 53.31 H new ATOM 0 HD2 LYS A 29 3.724 -16.817 9.154 1.00 62.25 H new ATOM 0 HD3 LYS A 29 3.849 -15.160 9.710 1.00 62.25 H new ATOM 0 HE2 LYS A 29 3.267 -16.586 11.602 1.00 5.13 H new ATOM 0 HE3 LYS A 29 1.912 -15.531 11.248 1.00 5.13 H new ATOM 0 HZ1 LYS A 29 1.318 -17.893 11.669 1.00 11.01 H new ATOM 0 HZ2 LYS A 29 0.757 -17.299 10.181 1.00 11.01 H new ATOM 0 HZ3 LYS A 29 2.114 -18.319 10.231 1.00 11.01 H new ATOM 467 N ALA A 30 0.196 -13.220 7.094 1.00 41.34 N ATOM 468 CA ALA A 30 -0.472 -11.943 7.429 1.00 64.14 C ATOM 469 C ALA A 30 0.328 -11.152 8.478 1.00 53.30 C ATOM 470 O ALA A 30 0.323 -9.916 8.468 1.00 12.11 O ATOM 471 CB ALA A 30 -1.913 -12.203 7.902 1.00 61.41 C ATOM 0 H ALA A 30 -0.243 -14.035 7.522 1.00 41.34 H new ATOM 0 HA ALA A 30 -0.513 -11.331 6.528 1.00 64.14 H new ATOM 0 HB1 ALA A 30 -2.393 -11.255 8.145 1.00 61.41 H new ATOM 0 HB2 ALA A 30 -2.472 -12.700 7.109 1.00 61.41 H new ATOM 0 HB3 ALA A 30 -1.896 -12.839 8.787 1.00 61.41 H new ATOM 477 N GLU A 31 1.023 -11.887 9.369 1.00 11.35 N ATOM 478 CA GLU A 31 1.913 -11.305 10.388 1.00 54.41 C ATOM 479 C GLU A 31 3.153 -10.703 9.700 1.00 4.41 C ATOM 480 O GLU A 31 3.596 -9.600 10.046 1.00 24.53 O ATOM 481 CB GLU A 31 2.324 -12.385 11.425 1.00 52.11 C ATOM 482 CG GLU A 31 3.115 -11.850 12.632 1.00 30.21 C ATOM 483 CD GLU A 31 3.482 -12.947 13.640 1.00 52.22 C ATOM 484 OE1 GLU A 31 2.568 -13.472 14.315 1.00 30.41 O ATOM 485 OE2 GLU A 31 4.680 -13.289 13.766 1.00 43.12 O ATOM 0 H GLU A 31 0.981 -12.906 9.400 1.00 11.35 H new ATOM 0 HA GLU A 31 1.386 -10.513 10.920 1.00 54.41 H new ATOM 0 HB2 GLU A 31 1.424 -12.881 11.789 1.00 52.11 H new ATOM 0 HB3 GLU A 31 2.924 -13.143 10.922 1.00 52.11 H new ATOM 0 HG2 GLU A 31 4.027 -11.369 12.278 1.00 30.21 H new ATOM 0 HG3 GLU A 31 2.526 -11.084 13.135 1.00 30.21 H new ATOM 492 N GLU A 32 3.674 -11.440 8.692 1.00 62.02 N ATOM 493 CA GLU A 32 4.759 -10.958 7.818 1.00 33.14 C ATOM 494 C GLU A 32 4.313 -9.695 7.074 1.00 13.41 C ATOM 495 O GLU A 32 4.989 -8.668 7.131 1.00 44.43 O ATOM 496 CB GLU A 32 5.195 -12.048 6.807 1.00 50.14 C ATOM 497 CG GLU A 32 5.902 -13.254 7.450 1.00 61.53 C ATOM 498 CD GLU A 32 6.430 -14.246 6.409 1.00 54.22 C ATOM 499 OE1 GLU A 32 7.329 -13.868 5.628 1.00 61.03 O ATOM 500 OE2 GLU A 32 5.968 -15.402 6.370 1.00 71.22 O ATOM 0 H GLU A 32 3.353 -12.381 8.465 1.00 62.02 H new ATOM 0 HA GLU A 32 5.618 -10.721 8.446 1.00 33.14 H new ATOM 0 HB2 GLU A 32 4.316 -12.401 6.268 1.00 50.14 H new ATOM 0 HB3 GLU A 32 5.862 -11.600 6.071 1.00 50.14 H new ATOM 0 HG2 GLU A 32 6.730 -12.901 8.064 1.00 61.53 H new ATOM 0 HG3 GLU A 32 5.207 -13.766 8.116 1.00 61.53 H new ATOM 507 N ALA A 33 3.119 -9.783 6.452 1.00 1.11 N ATOM 508 CA ALA A 33 2.512 -8.686 5.686 1.00 41.14 C ATOM 509 C ALA A 33 2.392 -7.419 6.545 1.00 11.44 C ATOM 510 O ALA A 33 2.604 -6.332 6.044 1.00 75.44 O ATOM 511 CB ALA A 33 1.137 -9.101 5.160 1.00 43.44 C ATOM 0 H ALA A 33 2.547 -10.628 6.470 1.00 1.11 H new ATOM 0 HA ALA A 33 3.161 -8.464 4.838 1.00 41.14 H new ATOM 0 HB1 ALA A 33 0.700 -8.278 4.595 1.00 43.44 H new ATOM 0 HB2 ALA A 33 1.243 -9.971 4.512 1.00 43.44 H new ATOM 0 HB3 ALA A 33 0.487 -9.351 5.998 1.00 43.44 H new ATOM 517 N LYS A 34 2.090 -7.604 7.850 1.00 63.34 N ATOM 518 CA LYS A 34 1.956 -6.508 8.837 1.00 42.33 C ATOM 519 C LYS A 34 3.284 -5.733 9.011 1.00 35.14 C ATOM 520 O LYS A 34 3.276 -4.502 9.139 1.00 61.13 O ATOM 521 CB LYS A 34 1.430 -7.096 10.190 1.00 0.31 C ATOM 522 CG LYS A 34 1.264 -6.094 11.378 1.00 21.42 C ATOM 523 CD LYS A 34 2.534 -5.927 12.258 1.00 33.54 C ATOM 524 CE LYS A 34 2.987 -7.244 12.917 1.00 44.15 C ATOM 525 NZ LYS A 34 4.154 -7.035 13.821 1.00 43.41 N ATOM 0 H LYS A 34 1.931 -8.528 8.252 1.00 63.34 H new ATOM 0 HA LYS A 34 1.231 -5.781 8.471 1.00 42.33 H new ATOM 0 HB2 LYS A 34 0.464 -7.565 10.004 1.00 0.31 H new ATOM 0 HB3 LYS A 34 2.112 -7.886 10.505 1.00 0.31 H new ATOM 0 HG2 LYS A 34 0.982 -5.120 10.979 1.00 21.42 H new ATOM 0 HG3 LYS A 34 0.441 -6.430 12.009 1.00 21.42 H new ATOM 0 HD2 LYS A 34 3.346 -5.536 11.644 1.00 33.54 H new ATOM 0 HD3 LYS A 34 2.337 -5.188 13.034 1.00 33.54 H new ATOM 0 HE2 LYS A 34 2.160 -7.671 13.484 1.00 44.15 H new ATOM 0 HE3 LYS A 34 3.250 -7.966 12.144 1.00 44.15 H new ATOM 0 HZ1 LYS A 34 4.431 -7.943 14.246 1.00 43.41 H new ATOM 0 HZ2 LYS A 34 4.952 -6.651 13.275 1.00 43.41 H new ATOM 0 HZ3 LYS A 34 3.895 -6.365 14.573 1.00 43.41 H new ATOM 539 N GLU A 35 4.419 -6.458 9.016 1.00 40.13 N ATOM 540 CA GLU A 35 5.753 -5.837 9.111 1.00 23.00 C ATOM 541 C GLU A 35 6.056 -5.044 7.826 1.00 35.33 C ATOM 542 O GLU A 35 6.441 -3.867 7.881 1.00 31.31 O ATOM 543 CB GLU A 35 6.851 -6.902 9.331 1.00 0.52 C ATOM 544 CG GLU A 35 8.265 -6.304 9.427 1.00 12.42 C ATOM 545 CD GLU A 35 9.374 -7.355 9.410 1.00 41.45 C ATOM 546 OE1 GLU A 35 9.846 -7.711 8.308 1.00 34.41 O ATOM 547 OE2 GLU A 35 9.789 -7.815 10.488 1.00 63.54 O ATOM 0 H GLU A 35 4.438 -7.476 8.955 1.00 40.13 H new ATOM 0 HA GLU A 35 5.750 -5.163 9.968 1.00 23.00 H new ATOM 0 HB2 GLU A 35 6.634 -7.454 10.245 1.00 0.52 H new ATOM 0 HB3 GLU A 35 6.822 -7.619 8.511 1.00 0.52 H new ATOM 0 HG2 GLU A 35 8.416 -5.614 8.597 1.00 12.42 H new ATOM 0 HG3 GLU A 35 8.343 -5.720 10.344 1.00 12.42 H new ATOM 554 N LEU A 36 5.849 -5.720 6.679 1.00 61.00 N ATOM 555 CA LEU A 36 6.024 -5.134 5.339 1.00 53.40 C ATOM 556 C LEU A 36 5.102 -3.908 5.133 1.00 52.21 C ATOM 557 O LEU A 36 5.466 -2.956 4.441 1.00 24.11 O ATOM 558 CB LEU A 36 5.746 -6.200 4.238 1.00 44.53 C ATOM 559 CG LEU A 36 6.900 -7.202 3.894 1.00 31.43 C ATOM 560 CD1 LEU A 36 8.215 -6.451 3.561 1.00 60.44 C ATOM 561 CD2 LEU A 36 7.120 -8.276 4.983 1.00 32.52 C ATOM 0 H LEU A 36 5.553 -6.696 6.658 1.00 61.00 H new ATOM 0 HA LEU A 36 7.058 -4.798 5.258 1.00 53.40 H new ATOM 0 HB2 LEU A 36 4.876 -6.781 4.544 1.00 44.53 H new ATOM 0 HB3 LEU A 36 5.472 -5.675 3.323 1.00 44.53 H new ATOM 0 HG LEU A 36 6.581 -7.741 3.002 1.00 31.43 H new ATOM 0 HD11 LEU A 36 8.997 -7.173 3.327 1.00 60.44 H new ATOM 0 HD12 LEU A 36 8.054 -5.799 2.703 1.00 60.44 H new ATOM 0 HD13 LEU A 36 8.520 -5.852 4.419 1.00 60.44 H new ATOM 0 HD21 LEU A 36 7.933 -8.937 4.683 1.00 32.52 H new ATOM 0 HD22 LEU A 36 7.376 -7.792 5.925 1.00 32.52 H new ATOM 0 HD23 LEU A 36 6.207 -8.858 5.110 1.00 32.52 H new ATOM 573 N LEU A 37 3.921 -3.968 5.763 1.00 74.33 N ATOM 574 CA LEU A 37 2.910 -2.897 5.753 1.00 21.31 C ATOM 575 C LEU A 37 3.496 -1.626 6.352 1.00 1.34 C ATOM 576 O LEU A 37 3.425 -0.561 5.744 1.00 51.45 O ATOM 577 CB LEU A 37 1.645 -3.385 6.538 1.00 72.14 C ATOM 578 CG LEU A 37 0.533 -2.339 6.951 1.00 23.43 C ATOM 579 CD1 LEU A 37 -0.867 -2.997 6.965 1.00 23.11 C ATOM 580 CD2 LEU A 37 0.819 -1.700 8.342 1.00 41.51 C ATOM 0 H LEU A 37 3.633 -4.781 6.307 1.00 74.33 H new ATOM 0 HA LEU A 37 2.611 -2.666 4.731 1.00 21.31 H new ATOM 0 HB2 LEU A 37 1.162 -4.153 5.934 1.00 72.14 H new ATOM 0 HB3 LEU A 37 1.993 -3.869 7.451 1.00 72.14 H new ATOM 0 HG LEU A 37 0.554 -1.548 6.201 1.00 23.43 H new ATOM 0 HD11 LEU A 37 -1.614 -2.257 7.252 1.00 23.11 H new ATOM 0 HD12 LEU A 37 -1.099 -3.380 5.971 1.00 23.11 H new ATOM 0 HD13 LEU A 37 -0.876 -3.818 7.682 1.00 23.11 H new ATOM 0 HD21 LEU A 37 0.030 -0.988 8.585 1.00 41.51 H new ATOM 0 HD22 LEU A 37 0.850 -2.481 9.102 1.00 41.51 H new ATOM 0 HD23 LEU A 37 1.778 -1.183 8.315 1.00 41.51 H new ATOM 592 N LYS A 38 4.111 -1.781 7.542 1.00 64.32 N ATOM 593 CA LYS A 38 4.692 -0.667 8.300 1.00 75.34 C ATOM 594 C LYS A 38 5.881 -0.057 7.546 1.00 53.53 C ATOM 595 O LYS A 38 5.973 1.161 7.438 1.00 52.44 O ATOM 596 CB LYS A 38 5.137 -1.143 9.707 1.00 34.54 C ATOM 597 CG LYS A 38 5.742 -0.025 10.596 1.00 24.04 C ATOM 598 CD LYS A 38 6.185 -0.527 11.983 1.00 21.22 C ATOM 599 CE LYS A 38 7.281 -1.606 11.904 1.00 54.04 C ATOM 600 NZ LYS A 38 8.532 -1.083 11.280 1.00 3.14 N ATOM 0 H LYS A 38 4.216 -2.686 8.001 1.00 64.32 H new ATOM 0 HA LYS A 38 3.927 0.101 8.416 1.00 75.34 H new ATOM 0 HB2 LYS A 38 4.278 -1.575 10.220 1.00 34.54 H new ATOM 0 HB3 LYS A 38 5.873 -1.939 9.593 1.00 34.54 H new ATOM 0 HG2 LYS A 38 6.599 0.413 10.085 1.00 24.04 H new ATOM 0 HG3 LYS A 38 5.006 0.769 10.722 1.00 24.04 H new ATOM 0 HD2 LYS A 38 6.552 0.315 12.569 1.00 21.22 H new ATOM 0 HD3 LYS A 38 5.321 -0.931 12.511 1.00 21.22 H new ATOM 0 HE2 LYS A 38 7.501 -1.974 12.906 1.00 54.04 H new ATOM 0 HE3 LYS A 38 6.914 -2.455 11.326 1.00 54.04 H new ATOM 0 HZ1 LYS A 38 9.272 -1.813 11.322 1.00 3.14 H new ATOM 0 HZ2 LYS A 38 8.347 -0.834 10.287 1.00 3.14 H new ATOM 0 HZ3 LYS A 38 8.850 -0.238 11.796 1.00 3.14 H new ATOM 614 N LYS A 39 6.768 -0.928 7.010 1.00 3.50 N ATOM 615 CA LYS A 39 7.987 -0.499 6.294 1.00 22.33 C ATOM 616 C LYS A 39 7.643 0.338 5.053 1.00 70.32 C ATOM 617 O LYS A 39 8.119 1.463 4.907 1.00 71.14 O ATOM 618 CB LYS A 39 8.849 -1.724 5.878 1.00 44.21 C ATOM 619 CG LYS A 39 9.468 -2.501 7.057 1.00 3.12 C ATOM 620 CD LYS A 39 10.281 -3.738 6.598 1.00 44.32 C ATOM 621 CE LYS A 39 11.040 -4.398 7.756 1.00 61.21 C ATOM 622 NZ LYS A 39 11.693 -5.674 7.364 1.00 25.21 N ATOM 0 H LYS A 39 6.658 -1.941 7.062 1.00 3.50 H new ATOM 0 HA LYS A 39 8.562 0.121 6.981 1.00 22.33 H new ATOM 0 HB2 LYS A 39 8.230 -2.406 5.295 1.00 44.21 H new ATOM 0 HB3 LYS A 39 9.651 -1.382 5.224 1.00 44.21 H new ATOM 0 HG2 LYS A 39 10.118 -1.835 7.625 1.00 3.12 H new ATOM 0 HG3 LYS A 39 8.674 -2.823 7.731 1.00 3.12 H new ATOM 0 HD2 LYS A 39 9.607 -4.466 6.147 1.00 44.32 H new ATOM 0 HD3 LYS A 39 10.990 -3.438 5.826 1.00 44.32 H new ATOM 0 HE2 LYS A 39 11.797 -3.708 8.129 1.00 61.21 H new ATOM 0 HE3 LYS A 39 10.348 -4.586 8.577 1.00 61.21 H new ATOM 0 HZ1 LYS A 39 12.631 -5.735 7.810 1.00 25.21 H new ATOM 0 HZ2 LYS A 39 11.108 -6.474 7.678 1.00 25.21 H new ATOM 0 HZ3 LYS A 39 11.798 -5.707 6.330 1.00 25.21 H new ATOM 636 N VAL A 40 6.771 -0.209 4.196 1.00 42.30 N ATOM 637 CA VAL A 40 6.420 0.406 2.906 1.00 11.24 C ATOM 638 C VAL A 40 5.570 1.681 3.109 1.00 1.12 C ATOM 639 O VAL A 40 5.750 2.669 2.386 1.00 71.40 O ATOM 640 CB VAL A 40 5.678 -0.626 1.978 1.00 24.33 C ATOM 641 CG1 VAL A 40 5.170 0.035 0.682 1.00 10.20 C ATOM 642 CG2 VAL A 40 6.591 -1.837 1.651 1.00 4.40 C ATOM 0 H VAL A 40 6.289 -1.090 4.376 1.00 42.30 H new ATOM 0 HA VAL A 40 7.346 0.700 2.411 1.00 11.24 H new ATOM 0 HB VAL A 40 4.809 -0.988 2.528 1.00 24.33 H new ATOM 0 HG11 VAL A 40 4.664 -0.710 0.068 1.00 10.20 H new ATOM 0 HG12 VAL A 40 4.473 0.835 0.931 1.00 10.20 H new ATOM 0 HG13 VAL A 40 6.014 0.448 0.129 1.00 10.20 H new ATOM 0 HG21 VAL A 40 6.054 -2.535 1.008 1.00 4.40 H new ATOM 0 HG22 VAL A 40 7.488 -1.489 1.139 1.00 4.40 H new ATOM 0 HG23 VAL A 40 6.874 -2.340 2.576 1.00 4.40 H new ATOM 652 N ALA A 41 4.673 1.662 4.119 1.00 40.33 N ATOM 653 CA ALA A 41 3.824 2.827 4.452 1.00 44.20 C ATOM 654 C ALA A 41 4.671 3.976 5.030 1.00 42.53 C ATOM 655 O ALA A 41 4.373 5.152 4.806 1.00 54.52 O ATOM 656 CB ALA A 41 2.708 2.432 5.431 1.00 51.54 C ATOM 0 H ALA A 41 4.518 0.851 4.719 1.00 40.33 H new ATOM 0 HA ALA A 41 3.359 3.176 3.530 1.00 44.20 H new ATOM 0 HB1 ALA A 41 2.098 3.306 5.660 1.00 51.54 H new ATOM 0 HB2 ALA A 41 2.083 1.662 4.979 1.00 51.54 H new ATOM 0 HB3 ALA A 41 3.150 2.047 6.350 1.00 51.54 H new ATOM 662 N GLU A 42 5.731 3.595 5.767 1.00 32.02 N ATOM 663 CA GLU A 42 6.711 4.522 6.358 1.00 34.14 C ATOM 664 C GLU A 42 7.566 5.171 5.257 1.00 41.53 C ATOM 665 O GLU A 42 7.879 6.365 5.326 1.00 44.32 O ATOM 666 CB GLU A 42 7.603 3.747 7.362 1.00 5.11 C ATOM 667 CG GLU A 42 8.642 4.588 8.115 1.00 62.44 C ATOM 668 CD GLU A 42 9.468 3.760 9.113 1.00 52.24 C ATOM 669 OE1 GLU A 42 8.897 3.283 10.118 1.00 63.03 O ATOM 670 OE2 GLU A 42 10.679 3.539 8.875 1.00 54.23 O ATOM 0 H GLU A 42 5.933 2.616 5.971 1.00 32.02 H new ATOM 0 HA GLU A 42 6.187 5.318 6.887 1.00 34.14 H new ATOM 0 HB2 GLU A 42 6.957 3.261 8.093 1.00 5.11 H new ATOM 0 HB3 GLU A 42 8.125 2.957 6.822 1.00 5.11 H new ATOM 0 HG2 GLU A 42 9.313 5.057 7.396 1.00 62.44 H new ATOM 0 HG3 GLU A 42 8.135 5.392 8.649 1.00 62.44 H new ATOM 677 N LYS A 43 7.921 4.368 4.222 1.00 54.54 N ATOM 678 CA LYS A 43 8.718 4.854 3.079 1.00 1.55 C ATOM 679 C LYS A 43 7.882 5.801 2.207 1.00 53.21 C ATOM 680 O LYS A 43 8.379 6.823 1.748 1.00 35.14 O ATOM 681 CB LYS A 43 9.283 3.694 2.218 1.00 65.00 C ATOM 682 CG LYS A 43 10.252 2.714 2.935 1.00 64.05 C ATOM 683 CD LYS A 43 11.312 3.405 3.854 1.00 35.32 C ATOM 684 CE LYS A 43 10.964 3.304 5.353 1.00 1.24 C ATOM 685 NZ LYS A 43 11.779 4.219 6.189 1.00 73.14 N ATOM 0 H LYS A 43 7.665 3.382 4.161 1.00 54.54 H new ATOM 0 HA LYS A 43 9.569 5.397 3.491 1.00 1.55 H new ATOM 0 HB2 LYS A 43 8.444 3.120 1.825 1.00 65.00 H new ATOM 0 HB3 LYS A 43 9.803 4.125 1.362 1.00 65.00 H new ATOM 0 HG2 LYS A 43 9.666 2.019 3.537 1.00 64.05 H new ATOM 0 HG3 LYS A 43 10.773 2.123 2.182 1.00 64.05 H new ATOM 0 HD2 LYS A 43 12.287 2.950 3.681 1.00 35.32 H new ATOM 0 HD3 LYS A 43 11.397 4.456 3.576 1.00 35.32 H new ATOM 0 HE2 LYS A 43 9.908 3.533 5.494 1.00 1.24 H new ATOM 0 HE3 LYS A 43 11.115 2.278 5.689 1.00 1.24 H new ATOM 0 HZ1 LYS A 43 11.519 4.100 7.189 1.00 73.14 H new ATOM 0 HZ2 LYS A 43 12.787 3.997 6.065 1.00 73.14 H new ATOM 0 HZ3 LYS A 43 11.603 5.202 5.900 1.00 73.14 H new ATOM 699 N ALA A 44 6.600 5.458 2.015 1.00 73.22 N ATOM 700 CA ALA A 44 5.634 6.308 1.301 1.00 13.54 C ATOM 701 C ALA A 44 5.481 7.654 2.023 1.00 52.51 C ATOM 702 O ALA A 44 5.508 8.714 1.394 1.00 72.33 O ATOM 703 CB ALA A 44 4.290 5.586 1.195 1.00 64.51 C ATOM 0 H ALA A 44 6.202 4.581 2.351 1.00 73.22 H new ATOM 0 HA ALA A 44 6.000 6.505 0.293 1.00 13.54 H new ATOM 0 HB1 ALA A 44 3.578 6.219 0.666 1.00 64.51 H new ATOM 0 HB2 ALA A 44 4.421 4.652 0.649 1.00 64.51 H new ATOM 0 HB3 ALA A 44 3.912 5.372 2.195 1.00 64.51 H new ATOM 709 N ALA A 45 5.394 7.572 3.368 1.00 14.42 N ATOM 710 CA ALA A 45 5.308 8.740 4.252 1.00 21.15 C ATOM 711 C ALA A 45 6.578 9.611 4.149 1.00 24.32 C ATOM 712 O ALA A 45 6.498 10.834 4.283 1.00 31.34 O ATOM 713 CB ALA A 45 5.074 8.301 5.703 1.00 42.52 C ATOM 0 H ALA A 45 5.382 6.683 3.869 1.00 14.42 H new ATOM 0 HA ALA A 45 4.459 9.343 3.930 1.00 21.15 H new ATOM 0 HB1 ALA A 45 5.013 9.181 6.344 1.00 42.52 H new ATOM 0 HB2 ALA A 45 4.142 7.740 5.767 1.00 42.52 H new ATOM 0 HB3 ALA A 45 5.901 7.670 6.030 1.00 42.52 H new ATOM 719 N ASP A 46 7.749 8.956 3.908 1.00 12.15 N ATOM 720 CA ASP A 46 9.031 9.658 3.673 1.00 62.13 C ATOM 721 C ASP A 46 8.938 10.547 2.424 1.00 41.32 C ATOM 722 O ASP A 46 9.197 11.740 2.503 1.00 14.30 O ATOM 723 CB ASP A 46 10.238 8.674 3.525 1.00 73.43 C ATOM 724 CG ASP A 46 10.757 8.098 4.859 1.00 11.25 C ATOM 725 OD1 ASP A 46 11.101 8.903 5.754 1.00 71.20 O ATOM 726 OD2 ASP A 46 10.881 6.857 5.003 1.00 62.32 O ATOM 0 H ASP A 46 7.824 7.939 3.873 1.00 12.15 H new ATOM 0 HA ASP A 46 9.213 10.274 4.553 1.00 62.13 H new ATOM 0 HB2 ASP A 46 9.941 7.849 2.878 1.00 73.43 H new ATOM 0 HB3 ASP A 46 11.055 9.193 3.025 1.00 73.43 H new ATOM 731 N LYS A 47 8.527 9.957 1.281 1.00 55.32 N ATOM 732 CA LYS A 47 8.436 10.690 -0.009 1.00 31.32 C ATOM 733 C LYS A 47 7.428 11.864 0.070 1.00 24.23 C ATOM 734 O LYS A 47 7.592 12.867 -0.641 1.00 12.31 O ATOM 735 CB LYS A 47 8.117 9.744 -1.211 1.00 50.33 C ATOM 736 CG LYS A 47 9.323 8.905 -1.726 1.00 30.02 C ATOM 737 CD LYS A 47 9.656 7.689 -0.840 1.00 63.04 C ATOM 738 CE LYS A 47 10.986 7.008 -1.208 1.00 70.12 C ATOM 739 NZ LYS A 47 12.155 7.869 -0.873 1.00 71.15 N ATOM 0 H LYS A 47 8.252 8.977 1.221 1.00 55.32 H new ATOM 0 HA LYS A 47 9.423 11.114 -0.195 1.00 31.32 H new ATOM 0 HB2 LYS A 47 7.319 9.062 -0.916 1.00 50.33 H new ATOM 0 HB3 LYS A 47 7.734 10.345 -2.035 1.00 50.33 H new ATOM 0 HG2 LYS A 47 9.108 8.559 -2.737 1.00 30.02 H new ATOM 0 HG3 LYS A 47 10.201 9.548 -1.790 1.00 30.02 H new ATOM 0 HD2 LYS A 47 9.696 8.008 0.201 1.00 63.04 H new ATOM 0 HD3 LYS A 47 8.849 6.960 -0.919 1.00 63.04 H new ATOM 0 HE2 LYS A 47 11.068 6.059 -0.678 1.00 70.12 H new ATOM 0 HE3 LYS A 47 10.996 6.779 -2.274 1.00 70.12 H new ATOM 0 HZ1 LYS A 47 12.760 7.975 -1.712 1.00 71.15 H new ATOM 0 HZ2 LYS A 47 11.820 8.805 -0.567 1.00 71.15 H new ATOM 0 HZ3 LYS A 47 12.702 7.429 -0.106 1.00 71.15 H new ATOM 753 N ILE A 48 6.390 11.730 0.931 1.00 25.23 N ATOM 754 CA ILE A 48 5.452 12.833 1.217 1.00 72.44 C ATOM 755 C ILE A 48 6.152 13.941 2.040 1.00 43.13 C ATOM 756 O ILE A 48 6.037 15.129 1.728 1.00 30.41 O ATOM 757 CB ILE A 48 4.163 12.372 1.990 1.00 75.04 C ATOM 758 CG1 ILE A 48 3.460 11.193 1.262 1.00 22.24 C ATOM 759 CG2 ILE A 48 3.177 13.559 2.166 1.00 54.33 C ATOM 760 CD1 ILE A 48 2.341 10.547 2.056 1.00 61.41 C ATOM 0 H ILE A 48 6.185 10.868 1.437 1.00 25.23 H new ATOM 0 HA ILE A 48 5.138 13.213 0.245 1.00 72.44 H new ATOM 0 HB ILE A 48 4.474 12.025 2.975 1.00 75.04 H new ATOM 0 HG12 ILE A 48 3.057 11.554 0.316 1.00 22.24 H new ATOM 0 HG13 ILE A 48 4.204 10.434 1.022 1.00 22.24 H new ATOM 0 HG21 ILE A 48 2.291 13.220 2.703 1.00 54.33 H new ATOM 0 HG22 ILE A 48 3.662 14.354 2.732 1.00 54.33 H new ATOM 0 HG23 ILE A 48 2.884 13.937 1.187 1.00 54.33 H new ATOM 0 HD11 ILE A 48 1.905 9.734 1.475 1.00 61.41 H new ATOM 0 HD12 ILE A 48 2.739 10.152 2.991 1.00 61.41 H new ATOM 0 HD13 ILE A 48 1.574 11.290 2.274 1.00 61.41 H new ATOM 772 N LYS A 49 6.892 13.516 3.080 1.00 75.14 N ATOM 773 CA LYS A 49 7.545 14.427 4.043 1.00 13.45 C ATOM 774 C LYS A 49 8.637 15.273 3.357 1.00 1.32 C ATOM 775 O LYS A 49 8.774 16.472 3.630 1.00 23.41 O ATOM 776 CB LYS A 49 8.140 13.608 5.220 1.00 23.00 C ATOM 777 CG LYS A 49 8.795 14.461 6.327 1.00 24.34 C ATOM 778 CD LYS A 49 9.339 13.609 7.497 1.00 30.54 C ATOM 779 CE LYS A 49 10.002 14.465 8.583 1.00 74.12 C ATOM 780 NZ LYS A 49 10.419 13.650 9.757 1.00 24.20 N ATOM 0 H LYS A 49 7.056 12.529 3.278 1.00 75.14 H new ATOM 0 HA LYS A 49 6.795 15.115 4.434 1.00 13.45 H new ATOM 0 HB2 LYS A 49 7.347 13.006 5.664 1.00 23.00 H new ATOM 0 HB3 LYS A 49 8.883 12.915 4.825 1.00 23.00 H new ATOM 0 HG2 LYS A 49 9.611 15.042 5.897 1.00 24.34 H new ATOM 0 HG3 LYS A 49 8.064 15.173 6.711 1.00 24.34 H new ATOM 0 HD2 LYS A 49 8.522 13.037 7.937 1.00 30.54 H new ATOM 0 HD3 LYS A 49 10.062 12.889 7.113 1.00 30.54 H new ATOM 0 HE2 LYS A 49 10.872 14.971 8.165 1.00 74.12 H new ATOM 0 HE3 LYS A 49 9.308 15.240 8.908 1.00 74.12 H new ATOM 0 HZ1 LYS A 49 10.863 14.266 10.468 1.00 24.20 H new ATOM 0 HZ2 LYS A 49 9.585 13.187 10.172 1.00 24.20 H new ATOM 0 HZ3 LYS A 49 11.101 12.926 9.453 1.00 24.20 H new ATOM 794 N LYS A 50 9.378 14.630 2.444 1.00 3.53 N ATOM 795 CA LYS A 50 10.461 15.269 1.684 1.00 30.34 C ATOM 796 C LYS A 50 9.875 16.179 0.573 1.00 4.44 C ATOM 797 O LYS A 50 10.344 17.308 0.378 1.00 25.51 O ATOM 798 CB LYS A 50 11.424 14.188 1.087 1.00 24.51 C ATOM 799 CG LYS A 50 12.508 13.624 2.049 1.00 35.01 C ATOM 800 CD LYS A 50 11.943 12.795 3.220 1.00 45.11 C ATOM 801 CE LYS A 50 13.032 12.228 4.139 1.00 73.20 C ATOM 802 NZ LYS A 50 12.459 11.458 5.279 1.00 73.24 N ATOM 0 H LYS A 50 9.242 13.646 2.211 1.00 3.53 H new ATOM 0 HA LYS A 50 11.043 15.896 2.360 1.00 30.34 H new ATOM 0 HB2 LYS A 50 10.821 13.355 0.725 1.00 24.51 H new ATOM 0 HB3 LYS A 50 11.926 14.618 0.220 1.00 24.51 H new ATOM 0 HG2 LYS A 50 13.197 13.002 1.477 1.00 35.01 H new ATOM 0 HG3 LYS A 50 13.087 14.454 2.452 1.00 35.01 H new ATOM 0 HD2 LYS A 50 11.270 13.419 3.807 1.00 45.11 H new ATOM 0 HD3 LYS A 50 11.349 11.973 2.821 1.00 45.11 H new ATOM 0 HE2 LYS A 50 13.693 11.582 3.561 1.00 73.20 H new ATOM 0 HE3 LYS A 50 13.642 13.045 4.524 1.00 73.20 H new ATOM 0 HZ1 LYS A 50 13.208 11.253 5.971 1.00 73.24 H new ATOM 0 HZ2 LYS A 50 11.711 12.018 5.735 1.00 73.24 H new ATOM 0 HZ3 LYS A 50 12.058 10.565 4.928 1.00 73.24 H new ATOM 816 N GLN A 51 8.833 15.689 -0.127 1.00 15.24 N ATOM 817 CA GLN A 51 8.188 16.414 -1.247 1.00 62.44 C ATOM 818 C GLN A 51 6.661 16.401 -1.077 1.00 65.33 C ATOM 819 O GLN A 51 6.066 17.389 -0.637 1.00 34.41 O ATOM 820 CB GLN A 51 8.600 15.776 -2.607 1.00 53.43 C ATOM 821 CG GLN A 51 7.943 16.386 -3.869 1.00 34.41 C ATOM 822 CD GLN A 51 8.339 17.836 -4.140 1.00 33.14 C ATOM 823 OE1 GLN A 51 9.447 18.273 -3.821 1.00 71.21 O ATOM 824 NE2 GLN A 51 7.442 18.590 -4.748 1.00 63.35 N ATOM 0 H GLN A 51 8.413 14.780 0.066 1.00 15.24 H new ATOM 0 HA GLN A 51 8.524 17.451 -1.239 1.00 62.44 H new ATOM 0 HB2 GLN A 51 9.682 15.856 -2.710 1.00 53.43 H new ATOM 0 HB3 GLN A 51 8.361 14.713 -2.575 1.00 53.43 H new ATOM 0 HG2 GLN A 51 8.211 15.780 -4.734 1.00 34.41 H new ATOM 0 HG3 GLN A 51 6.859 16.330 -3.764 1.00 34.41 H new ATOM 0 HE21 GLN A 51 6.534 18.200 -4.999 1.00 63.35 H new ATOM 0 HE22 GLN A 51 7.657 19.563 -4.966 1.00 63.35 H new ATOM 833 N GLY A 52 6.048 15.246 -1.389 1.00 13.02 N ATOM 834 CA GLY A 52 4.602 15.106 -1.433 1.00 32.34 C ATOM 835 C GLY A 52 4.196 14.147 -2.530 1.00 51.12 C ATOM 836 O GLY A 52 3.724 14.585 -3.588 1.00 15.31 O ATOM 0 H GLY A 52 6.552 14.389 -1.616 1.00 13.02 H new ATOM 0 HA2 GLY A 52 4.236 14.744 -0.472 1.00 32.34 H new ATOM 0 HA3 GLY A 52 4.141 16.079 -1.604 1.00 32.34 H new ATOM 840 N CYS A 53 4.437 12.832 -2.307 1.00 72.23 N ATOM 841 CA CYS A 53 3.951 11.774 -3.208 1.00 73.00 C ATOM 842 C CYS A 53 2.438 11.599 -2.987 1.00 73.12 C ATOM 843 O CYS A 53 1.984 10.769 -2.194 1.00 1.24 O ATOM 844 CB CYS A 53 4.728 10.444 -3.001 1.00 61.42 C ATOM 845 SG CYS A 53 4.604 9.709 -1.359 1.00 1.24 S ATOM 0 H CYS A 53 4.967 12.485 -1.508 1.00 72.23 H new ATOM 0 HA CYS A 53 4.129 12.066 -4.243 1.00 73.00 H new ATOM 0 HB2 CYS A 53 4.369 9.718 -3.731 1.00 61.42 H new ATOM 0 HB3 CYS A 53 5.781 10.623 -3.220 1.00 61.42 H new ATOM 0 HG CYS A 53 3.367 9.744 -0.960 1.00 1.24 H new ATOM 851 N LYS A 54 1.673 12.469 -3.662 1.00 4.32 N ATOM 852 CA LYS A 54 0.212 12.584 -3.484 1.00 33.12 C ATOM 853 C LYS A 54 -0.520 11.447 -4.193 1.00 73.43 C ATOM 854 O LYS A 54 -1.590 11.025 -3.763 1.00 52.23 O ATOM 855 CB LYS A 54 -0.260 13.962 -4.006 1.00 43.42 C ATOM 856 CG LYS A 54 0.452 15.145 -3.325 1.00 11.01 C ATOM 857 CD LYS A 54 0.122 16.511 -3.962 1.00 2.43 C ATOM 858 CE LYS A 54 1.069 17.611 -3.463 1.00 2.50 C ATOM 859 NZ LYS A 54 2.484 17.315 -3.820 1.00 2.20 N ATOM 0 H LYS A 54 2.050 13.119 -4.352 1.00 4.32 H new ATOM 0 HA LYS A 54 -0.024 12.506 -2.423 1.00 33.12 H new ATOM 0 HB2 LYS A 54 -0.089 14.014 -5.081 1.00 43.42 H new ATOM 0 HB3 LYS A 54 -1.335 14.054 -3.849 1.00 43.42 H new ATOM 0 HG2 LYS A 54 0.175 15.168 -2.271 1.00 11.01 H new ATOM 0 HG3 LYS A 54 1.529 14.984 -3.368 1.00 11.01 H new ATOM 0 HD2 LYS A 54 0.193 16.434 -5.047 1.00 2.43 H new ATOM 0 HD3 LYS A 54 -0.907 16.783 -3.728 1.00 2.43 H new ATOM 0 HE2 LYS A 54 0.776 18.568 -3.895 1.00 2.50 H new ATOM 0 HE3 LYS A 54 0.978 17.708 -2.381 1.00 2.50 H new ATOM 0 HZ1 LYS A 54 3.065 18.165 -3.670 1.00 2.20 H new ATOM 0 HZ2 LYS A 54 2.839 16.543 -3.221 1.00 2.20 H new ATOM 0 HZ3 LYS A 54 2.538 17.031 -4.819 1.00 2.20 H new ATOM 873 N ARG A 55 0.061 10.954 -5.290 1.00 62.21 N ATOM 874 CA ARG A 55 -0.493 9.817 -6.022 1.00 21.51 C ATOM 875 C ARG A 55 0.406 8.603 -5.785 1.00 33.03 C ATOM 876 O ARG A 55 1.538 8.543 -6.262 1.00 32.24 O ATOM 877 CB ARG A 55 -0.597 10.166 -7.529 1.00 43.43 C ATOM 878 CG ARG A 55 -1.573 11.321 -7.824 1.00 23.43 C ATOM 879 CD ARG A 55 -1.604 11.717 -9.301 1.00 22.44 C ATOM 880 NE ARG A 55 -2.647 12.714 -9.576 1.00 63.22 N ATOM 881 CZ ARG A 55 -3.221 12.919 -10.769 1.00 1.44 C ATOM 882 NH1 ARG A 55 -2.869 12.195 -11.835 1.00 30.12 N ATOM 883 NH2 ARG A 55 -4.176 13.826 -10.888 1.00 43.55 N ATOM 0 H ARG A 55 0.921 11.329 -5.691 1.00 62.21 H new ATOM 0 HA ARG A 55 -1.498 9.583 -5.669 1.00 21.51 H new ATOM 0 HB2 ARG A 55 0.392 10.432 -7.902 1.00 43.43 H new ATOM 0 HB3 ARG A 55 -0.917 9.281 -8.078 1.00 43.43 H new ATOM 0 HG2 ARG A 55 -2.576 11.031 -7.511 1.00 23.43 H new ATOM 0 HG3 ARG A 55 -1.291 12.188 -7.227 1.00 23.43 H new ATOM 0 HD2 ARG A 55 -0.633 12.118 -9.590 1.00 22.44 H new ATOM 0 HD3 ARG A 55 -1.778 10.831 -9.911 1.00 22.44 H new ATOM 0 HE ARG A 55 -2.959 13.296 -8.798 1.00 63.22 H new ATOM 0 HH11 ARG A 55 -2.153 11.473 -11.748 1.00 30.12 H new ATOM 0 HH12 ARG A 55 -3.316 12.364 -12.736 1.00 30.12 H new ATOM 0 HH21 ARG A 55 -4.472 14.365 -10.074 1.00 43.55 H new ATOM 0 HH22 ARG A 55 -4.617 13.987 -11.794 1.00 43.55 H new ATOM 897 N VAL A 56 -0.138 7.641 -5.044 1.00 21.00 N ATOM 898 CA VAL A 56 0.513 6.377 -4.692 1.00 64.20 C ATOM 899 C VAL A 56 -0.293 5.254 -5.354 1.00 11.42 C ATOM 900 O VAL A 56 -1.516 5.340 -5.428 1.00 71.41 O ATOM 901 CB VAL A 56 0.547 6.185 -3.122 1.00 25.13 C ATOM 902 CG1 VAL A 56 1.176 4.831 -2.719 1.00 43.40 C ATOM 903 CG2 VAL A 56 1.269 7.369 -2.425 1.00 20.21 C ATOM 0 H VAL A 56 -1.078 7.721 -4.657 1.00 21.00 H new ATOM 0 HA VAL A 56 1.546 6.367 -5.040 1.00 64.20 H new ATOM 0 HB VAL A 56 -0.487 6.175 -2.778 1.00 25.13 H new ATOM 0 HG11 VAL A 56 1.179 4.740 -1.633 1.00 43.40 H new ATOM 0 HG12 VAL A 56 0.593 4.017 -3.149 1.00 43.40 H new ATOM 0 HG13 VAL A 56 2.199 4.780 -3.091 1.00 43.40 H new ATOM 0 HG21 VAL A 56 1.276 7.207 -1.347 1.00 20.21 H new ATOM 0 HG22 VAL A 56 2.295 7.435 -2.788 1.00 20.21 H new ATOM 0 HG23 VAL A 56 0.745 8.298 -2.649 1.00 20.21 H new ATOM 913 N LYS A 57 0.386 4.232 -5.884 1.00 43.12 N ATOM 914 CA LYS A 57 -0.271 3.096 -6.548 1.00 43.41 C ATOM 915 C LYS A 57 0.126 1.806 -5.822 1.00 63.11 C ATOM 916 O LYS A 57 1.306 1.496 -5.717 1.00 24.31 O ATOM 917 CB LYS A 57 0.113 3.027 -8.065 1.00 2.25 C ATOM 918 CG LYS A 57 -0.389 4.213 -8.944 1.00 12.04 C ATOM 919 CD LYS A 57 0.478 5.495 -8.834 1.00 50.52 C ATOM 920 CE LYS A 57 -0.098 6.676 -9.638 1.00 73.41 C ATOM 921 NZ LYS A 57 0.807 7.862 -9.633 1.00 22.24 N ATOM 0 H LYS A 57 1.404 4.166 -5.866 1.00 43.12 H new ATOM 0 HA LYS A 57 -1.352 3.225 -6.499 1.00 43.41 H new ATOM 0 HB2 LYS A 57 1.199 2.974 -8.144 1.00 2.25 H new ATOM 0 HB3 LYS A 57 -0.282 2.099 -8.479 1.00 2.25 H new ATOM 0 HG2 LYS A 57 -0.415 3.893 -9.986 1.00 12.04 H new ATOM 0 HG3 LYS A 57 -1.413 4.454 -8.659 1.00 12.04 H new ATOM 0 HD2 LYS A 57 0.563 5.782 -7.786 1.00 50.52 H new ATOM 0 HD3 LYS A 57 1.486 5.278 -9.188 1.00 50.52 H new ATOM 0 HE2 LYS A 57 -0.274 6.361 -10.666 1.00 73.41 H new ATOM 0 HE3 LYS A 57 -1.065 6.958 -9.222 1.00 73.41 H new ATOM 0 HZ1 LYS A 57 0.309 8.680 -10.038 1.00 22.24 H new ATOM 0 HZ2 LYS A 57 1.091 8.078 -8.656 1.00 22.24 H new ATOM 0 HZ3 LYS A 57 1.653 7.656 -10.202 1.00 22.24 H new ATOM 935 N ILE A 58 -0.864 1.078 -5.299 1.00 42.34 N ATOM 936 CA ILE A 58 -0.662 -0.229 -4.653 1.00 44.21 C ATOM 937 C ILE A 58 -1.042 -1.311 -5.669 1.00 53.51 C ATOM 938 O ILE A 58 -2.193 -1.380 -6.085 1.00 22.22 O ATOM 939 CB ILE A 58 -1.552 -0.352 -3.346 1.00 61.12 C ATOM 940 CG1 ILE A 58 -1.052 0.638 -2.242 1.00 64.34 C ATOM 941 CG2 ILE A 58 -1.647 -1.808 -2.817 1.00 12.11 C ATOM 942 CD1 ILE A 58 -1.886 0.663 -0.966 1.00 24.00 C ATOM 0 H ILE A 58 -1.839 1.379 -5.310 1.00 42.34 H new ATOM 0 HA ILE A 58 0.378 -0.344 -4.348 1.00 44.21 H new ATOM 0 HB ILE A 58 -2.568 -0.069 -3.622 1.00 61.12 H new ATOM 0 HG12 ILE A 58 -0.026 0.378 -1.981 1.00 64.34 H new ATOM 0 HG13 ILE A 58 -1.029 1.644 -2.662 1.00 64.34 H new ATOM 0 HG21 ILE A 58 -2.268 -1.830 -1.922 1.00 12.11 H new ATOM 0 HG22 ILE A 58 -2.091 -2.445 -3.582 1.00 12.11 H new ATOM 0 HG23 ILE A 58 -0.649 -2.173 -2.575 1.00 12.11 H new ATOM 0 HD11 ILE A 58 -1.457 1.379 -0.265 1.00 24.00 H new ATOM 0 HD12 ILE A 58 -2.908 0.956 -1.205 1.00 24.00 H new ATOM 0 HD13 ILE A 58 -1.889 -0.329 -0.514 1.00 24.00 H new ATOM 954 N ARG A 59 -0.064 -2.111 -6.105 1.00 74.23 N ATOM 955 CA ARG A 59 -0.290 -3.235 -7.024 1.00 62.03 C ATOM 956 C ARG A 59 0.008 -4.548 -6.299 1.00 62.24 C ATOM 957 O ARG A 59 0.958 -4.648 -5.510 1.00 52.03 O ATOM 958 CB ARG A 59 0.567 -3.101 -8.322 1.00 1.45 C ATOM 959 CG ARG A 59 0.081 -2.005 -9.294 1.00 22.01 C ATOM 960 CD ARG A 59 0.828 -2.025 -10.642 1.00 33.45 C ATOM 961 NE ARG A 59 0.190 -1.134 -11.623 1.00 22.35 N ATOM 962 CZ ARG A 59 0.211 -1.290 -12.958 1.00 31.43 C ATOM 963 NH1 ARG A 59 0.851 -2.314 -13.528 1.00 20.45 N ATOM 964 NH2 ARG A 59 -0.428 -0.414 -13.719 1.00 31.21 N ATOM 0 H ARG A 59 0.912 -1.998 -5.830 1.00 74.23 H new ATOM 0 HA ARG A 59 -1.334 -3.226 -7.336 1.00 62.03 H new ATOM 0 HB2 ARG A 59 1.599 -2.890 -8.042 1.00 1.45 H new ATOM 0 HB3 ARG A 59 0.568 -4.058 -8.843 1.00 1.45 H new ATOM 0 HG2 ARG A 59 -0.986 -2.133 -9.474 1.00 22.01 H new ATOM 0 HG3 ARG A 59 0.211 -1.029 -8.827 1.00 22.01 H new ATOM 0 HD2 ARG A 59 1.863 -1.720 -10.490 1.00 33.45 H new ATOM 0 HD3 ARG A 59 0.850 -3.042 -11.033 1.00 33.45 H new ATOM 0 HE ARG A 59 -0.313 -0.326 -11.258 1.00 22.35 H new ATOM 0 HH11 ARG A 59 1.337 -2.998 -12.948 1.00 20.45 H new ATOM 0 HH12 ARG A 59 0.854 -2.412 -14.543 1.00 20.45 H new ATOM 0 HH21 ARG A 59 -0.927 0.366 -13.290 1.00 31.21 H new ATOM 0 HH22 ARG A 59 -0.421 -0.519 -14.734 1.00 31.21 H new ATOM 978 N PHE A 60 -0.834 -5.533 -6.570 1.00 72.32 N ATOM 979 CA PHE A 60 -0.770 -6.860 -5.976 1.00 51.31 C ATOM 980 C PHE A 60 -1.368 -7.863 -6.965 1.00 33.03 C ATOM 981 O PHE A 60 -2.351 -7.562 -7.630 1.00 51.01 O ATOM 982 CB PHE A 60 -1.556 -6.863 -4.633 1.00 14.21 C ATOM 983 CG PHE A 60 -1.735 -8.245 -4.017 1.00 62.12 C ATOM 984 CD1 PHE A 60 -0.648 -8.923 -3.484 1.00 54.23 C ATOM 985 CD2 PHE A 60 -2.976 -8.876 -3.999 1.00 71.21 C ATOM 986 CE1 PHE A 60 -0.788 -10.184 -2.941 1.00 1.01 C ATOM 987 CE2 PHE A 60 -3.116 -10.137 -3.460 1.00 62.24 C ATOM 988 CZ PHE A 60 -2.019 -10.791 -2.931 1.00 45.51 C ATOM 0 H PHE A 60 -1.605 -5.428 -7.230 1.00 72.32 H new ATOM 0 HA PHE A 60 0.262 -7.140 -5.766 1.00 51.31 H new ATOM 0 HB2 PHE A 60 -1.036 -6.224 -3.919 1.00 14.21 H new ATOM 0 HB3 PHE A 60 -2.539 -6.422 -4.799 1.00 14.21 H new ATOM 0 HD1 PHE A 60 0.325 -8.455 -3.494 1.00 54.23 H new ATOM 0 HD2 PHE A 60 -3.838 -8.372 -4.412 1.00 71.21 H new ATOM 0 HE1 PHE A 60 0.069 -10.692 -2.525 1.00 1.01 H new ATOM 0 HE2 PHE A 60 -4.084 -10.615 -3.451 1.00 62.24 H new ATOM 0 HZ PHE A 60 -2.131 -11.779 -2.510 1.00 45.51 H new ATOM 998 N GLU A 61 -0.767 -9.049 -7.069 1.00 50.34 N ATOM 999 CA GLU A 61 -1.290 -10.133 -7.911 1.00 3.22 C ATOM 1000 C GLU A 61 -1.985 -11.177 -7.038 1.00 33.22 C ATOM 1001 O GLU A 61 -1.321 -11.972 -6.351 1.00 1.01 O ATOM 1002 CB GLU A 61 -0.147 -10.767 -8.750 1.00 11.32 C ATOM 1003 CG GLU A 61 0.418 -9.820 -9.824 1.00 21.40 C ATOM 1004 CD GLU A 61 1.466 -10.475 -10.733 1.00 34.22 C ATOM 1005 OE1 GLU A 61 1.142 -11.487 -11.397 1.00 23.53 O ATOM 1006 OE2 GLU A 61 2.596 -9.956 -10.830 1.00 21.15 O ATOM 0 H GLU A 61 0.093 -9.288 -6.575 1.00 50.34 H new ATOM 0 HA GLU A 61 -2.024 -9.726 -8.607 1.00 3.22 H new ATOM 0 HB2 GLU A 61 0.659 -11.070 -8.082 1.00 11.32 H new ATOM 0 HB3 GLU A 61 -0.518 -11.671 -9.232 1.00 11.32 H new ATOM 0 HG2 GLU A 61 -0.403 -9.450 -10.438 1.00 21.40 H new ATOM 0 HG3 GLU A 61 0.864 -8.955 -9.334 1.00 21.40 H new ATOM 1013 N LYS A 62 -3.330 -11.129 -7.033 1.00 51.05 N ATOM 1014 CA LYS A 62 -4.154 -12.169 -6.426 1.00 44.35 C ATOM 1015 C LYS A 62 -4.422 -13.202 -7.536 1.00 14.52 C ATOM 1016 O LYS A 62 -5.098 -12.910 -8.514 1.00 20.20 O ATOM 1017 CB LYS A 62 -5.456 -11.555 -5.757 1.00 72.14 C ATOM 1018 CG LYS A 62 -6.568 -10.985 -6.685 1.00 70.11 C ATOM 1019 CD LYS A 62 -7.618 -12.055 -7.094 1.00 73.01 C ATOM 1020 CE LYS A 62 -8.555 -11.578 -8.220 1.00 13.34 C ATOM 1021 NZ LYS A 62 -9.431 -12.679 -8.710 1.00 64.43 N ATOM 0 H LYS A 62 -3.866 -10.368 -7.450 1.00 51.05 H new ATOM 0 HA LYS A 62 -3.655 -12.667 -5.595 1.00 44.35 H new ATOM 0 HB2 LYS A 62 -5.907 -12.329 -5.136 1.00 72.14 H new ATOM 0 HB3 LYS A 62 -5.139 -10.755 -5.088 1.00 72.14 H new ATOM 0 HG2 LYS A 62 -7.073 -10.163 -6.177 1.00 70.11 H new ATOM 0 HG3 LYS A 62 -6.109 -10.571 -7.583 1.00 70.11 H new ATOM 0 HD2 LYS A 62 -7.101 -12.959 -7.417 1.00 73.01 H new ATOM 0 HD3 LYS A 62 -8.214 -12.323 -6.222 1.00 73.01 H new ATOM 0 HE2 LYS A 62 -9.172 -10.756 -7.857 1.00 13.34 H new ATOM 0 HE3 LYS A 62 -7.961 -11.189 -9.047 1.00 13.34 H new ATOM 0 HZ1 LYS A 62 -10.048 -12.321 -9.467 1.00 64.43 H new ATOM 0 HZ2 LYS A 62 -8.842 -13.453 -9.080 1.00 64.43 H new ATOM 0 HZ3 LYS A 62 -10.015 -13.033 -7.926 1.00 64.43 H new ATOM 1035 N LYS A 63 -3.788 -14.372 -7.439 1.00 11.03 N ATOM 1036 CA LYS A 63 -3.867 -15.392 -8.489 1.00 32.33 C ATOM 1037 C LYS A 63 -3.517 -16.751 -7.896 1.00 12.32 C ATOM 1038 O LYS A 63 -4.391 -17.611 -7.715 1.00 31.41 O ATOM 1039 CB LYS A 63 -2.922 -15.007 -9.662 1.00 5.21 C ATOM 1040 CG LYS A 63 -3.041 -15.900 -10.905 1.00 51.21 C ATOM 1041 CD LYS A 63 -2.180 -15.387 -12.079 1.00 24.21 C ATOM 1042 CE LYS A 63 -2.477 -16.126 -13.387 1.00 1.52 C ATOM 1043 NZ LYS A 63 -1.596 -15.665 -14.492 1.00 41.15 N ATOM 0 H LYS A 63 -3.212 -14.638 -6.641 1.00 11.03 H new ATOM 0 HA LYS A 63 -4.880 -15.450 -8.888 1.00 32.33 H new ATOM 0 HB2 LYS A 63 -3.127 -13.976 -9.952 1.00 5.21 H new ATOM 0 HB3 LYS A 63 -1.892 -15.039 -9.306 1.00 5.21 H new ATOM 0 HG2 LYS A 63 -2.737 -16.915 -10.651 1.00 51.21 H new ATOM 0 HG3 LYS A 63 -4.084 -15.948 -11.216 1.00 51.21 H new ATOM 0 HD2 LYS A 63 -2.359 -14.321 -12.218 1.00 24.21 H new ATOM 0 HD3 LYS A 63 -1.125 -15.503 -11.830 1.00 24.21 H new ATOM 0 HE2 LYS A 63 -2.343 -17.197 -13.238 1.00 1.52 H new ATOM 0 HE3 LYS A 63 -3.520 -15.970 -13.664 1.00 1.52 H new ATOM 0 HZ1 LYS A 63 -1.827 -16.188 -15.361 1.00 41.15 H new ATOM 0 HZ2 LYS A 63 -1.742 -14.648 -14.651 1.00 41.15 H new ATOM 0 HZ3 LYS A 63 -0.602 -15.837 -14.238 1.00 41.15 H new ATOM 1057 N GLY A 64 -2.238 -16.911 -7.540 1.00 31.43 N ATOM 1058 CA GLY A 64 -1.737 -18.140 -6.943 1.00 75.13 C ATOM 1059 C GLY A 64 -1.826 -18.115 -5.430 1.00 71.31 C ATOM 1060 O GLY A 64 -0.844 -18.392 -4.740 1.00 61.13 O ATOM 0 H GLY A 64 -1.527 -16.190 -7.660 1.00 31.43 H new ATOM 0 HA2 GLY A 64 -2.307 -18.987 -7.326 1.00 75.13 H new ATOM 0 HA3 GLY A 64 -0.700 -18.292 -7.243 1.00 75.13 H new ATOM 1064 N LEU A 65 -3.024 -17.769 -4.911 1.00 34.53 N ATOM 1065 CA LEU A 65 -3.288 -17.721 -3.467 1.00 11.40 C ATOM 1066 C LEU A 65 -4.551 -18.506 -3.086 1.00 31.02 C ATOM 1067 O LEU A 65 -5.253 -19.051 -3.946 1.00 41.54 O ATOM 1068 CB LEU A 65 -3.380 -16.238 -2.980 1.00 63.32 C ATOM 1069 CG LEU A 65 -4.113 -15.168 -3.877 1.00 13.23 C ATOM 1070 CD1 LEU A 65 -5.557 -15.553 -4.277 1.00 41.24 C ATOM 1071 CD2 LEU A 65 -4.102 -13.797 -3.159 1.00 12.33 C ATOM 0 H LEU A 65 -3.829 -17.517 -5.484 1.00 34.53 H new ATOM 0 HA LEU A 65 -2.451 -18.203 -2.962 1.00 11.40 H new ATOM 0 HB2 LEU A 65 -3.875 -16.244 -2.009 1.00 63.32 H new ATOM 0 HB3 LEU A 65 -2.362 -15.884 -2.817 1.00 63.32 H new ATOM 0 HG LEU A 65 -3.556 -15.118 -4.812 1.00 13.23 H new ATOM 0 HD11 LEU A 65 -5.987 -14.763 -4.892 1.00 41.24 H new ATOM 0 HD12 LEU A 65 -5.542 -16.485 -4.842 1.00 41.24 H new ATOM 0 HD13 LEU A 65 -6.161 -15.683 -3.379 1.00 41.24 H new ATOM 0 HD21 LEU A 65 -4.609 -13.057 -3.779 1.00 12.33 H new ATOM 0 HD22 LEU A 65 -4.618 -13.883 -2.203 1.00 12.33 H new ATOM 0 HD23 LEU A 65 -3.072 -13.484 -2.989 1.00 12.33 H new ATOM 1083 N ASP A 66 -4.807 -18.539 -1.774 1.00 44.43 N ATOM 1084 CA ASP A 66 -6.060 -19.041 -1.195 1.00 3.21 C ATOM 1085 C ASP A 66 -7.104 -17.920 -1.209 1.00 1.13 C ATOM 1086 O ASP A 66 -6.752 -16.731 -1.302 1.00 44.30 O ATOM 1087 CB ASP A 66 -5.813 -19.507 0.264 1.00 31.10 C ATOM 1088 CG ASP A 66 -4.685 -20.542 0.369 1.00 51.15 C ATOM 1089 OD1 ASP A 66 -3.508 -20.136 0.491 1.00 52.11 O ATOM 1090 OD2 ASP A 66 -4.968 -21.758 0.319 1.00 72.12 O ATOM 0 H ASP A 66 -4.141 -18.213 -1.074 1.00 44.43 H new ATOM 0 HA ASP A 66 -6.421 -19.886 -1.782 1.00 3.21 H new ATOM 0 HB2 ASP A 66 -5.567 -18.643 0.881 1.00 31.10 H new ATOM 0 HB3 ASP A 66 -6.732 -19.934 0.666 1.00 31.10 H new ATOM 1095 N ASP A 67 -8.381 -18.307 -1.093 1.00 31.15 N ATOM 1096 CA ASP A 67 -9.502 -17.359 -0.927 1.00 24.21 C ATOM 1097 C ASP A 67 -9.302 -16.535 0.362 1.00 3.03 C ATOM 1098 O ASP A 67 -9.616 -15.341 0.413 1.00 52.14 O ATOM 1099 CB ASP A 67 -10.849 -18.128 -0.888 1.00 11.31 C ATOM 1100 CG ASP A 67 -12.073 -17.200 -0.807 1.00 40.13 C ATOM 1101 OD1 ASP A 67 -12.510 -16.691 -1.859 1.00 74.55 O ATOM 1102 OD2 ASP A 67 -12.600 -16.968 0.304 1.00 23.54 O ATOM 0 H ASP A 67 -8.671 -19.285 -1.111 1.00 31.15 H new ATOM 0 HA ASP A 67 -9.525 -16.675 -1.775 1.00 24.21 H new ATOM 0 HB2 ASP A 67 -10.931 -18.750 -1.779 1.00 11.31 H new ATOM 0 HB3 ASP A 67 -10.852 -18.799 -0.029 1.00 11.31 H new ATOM 1107 N ASP A 68 -8.737 -17.208 1.382 1.00 3.23 N ATOM 1108 CA ASP A 68 -8.363 -16.607 2.667 1.00 42.14 C ATOM 1109 C ASP A 68 -7.277 -15.534 2.462 1.00 52.34 C ATOM 1110 O ASP A 68 -7.430 -14.411 2.931 1.00 54.44 O ATOM 1111 CB ASP A 68 -7.866 -17.711 3.638 1.00 31.15 C ATOM 1112 CG ASP A 68 -7.492 -17.161 5.030 1.00 71.25 C ATOM 1113 OD1 ASP A 68 -8.380 -17.052 5.896 1.00 4.05 O ATOM 1114 OD2 ASP A 68 -6.312 -16.813 5.257 1.00 24.14 O ATOM 0 H ASP A 68 -8.525 -18.204 1.330 1.00 3.23 H new ATOM 0 HA ASP A 68 -9.238 -16.125 3.103 1.00 42.14 H new ATOM 0 HB2 ASP A 68 -8.643 -18.468 3.748 1.00 31.15 H new ATOM 0 HB3 ASP A 68 -6.998 -18.207 3.203 1.00 31.15 H new ATOM 1119 N ALA A 69 -6.203 -15.901 1.715 1.00 72.11 N ATOM 1120 CA ALA A 69 -5.059 -15.001 1.421 1.00 31.12 C ATOM 1121 C ALA A 69 -5.504 -13.761 0.632 1.00 15.05 C ATOM 1122 O ALA A 69 -4.929 -12.681 0.782 1.00 34.42 O ATOM 1123 CB ALA A 69 -3.971 -15.751 0.636 1.00 34.14 C ATOM 0 H ALA A 69 -6.107 -16.828 1.301 1.00 72.11 H new ATOM 0 HA ALA A 69 -4.652 -14.670 2.376 1.00 31.12 H new ATOM 0 HB1 ALA A 69 -3.141 -15.076 0.429 1.00 34.14 H new ATOM 0 HB2 ALA A 69 -3.614 -16.596 1.225 1.00 34.14 H new ATOM 0 HB3 ALA A 69 -4.386 -16.114 -0.304 1.00 34.14 H new ATOM 1129 N ARG A 70 -6.538 -13.947 -0.213 1.00 4.41 N ATOM 1130 CA ARG A 70 -7.130 -12.873 -1.027 1.00 51.11 C ATOM 1131 C ARG A 70 -7.884 -11.891 -0.111 1.00 74.25 C ATOM 1132 O ARG A 70 -7.771 -10.681 -0.282 1.00 11.34 O ATOM 1133 CB ARG A 70 -8.069 -13.492 -2.117 1.00 53.45 C ATOM 1134 CG ARG A 70 -8.534 -12.537 -3.262 1.00 71.52 C ATOM 1135 CD ARG A 70 -9.645 -11.545 -2.862 1.00 24.45 C ATOM 1136 NE ARG A 70 -10.072 -10.696 -3.985 1.00 50.01 N ATOM 1137 CZ ARG A 70 -10.690 -9.508 -3.868 1.00 15.22 C ATOM 1138 NH1 ARG A 70 -10.959 -8.988 -2.673 1.00 62.11 N ATOM 1139 NH2 ARG A 70 -11.033 -8.845 -4.958 1.00 75.25 N ATOM 0 H ARG A 70 -6.986 -14.853 -0.349 1.00 4.41 H new ATOM 0 HA ARG A 70 -6.347 -12.317 -1.542 1.00 51.11 H new ATOM 0 HB2 ARG A 70 -7.554 -14.340 -2.568 1.00 53.45 H new ATOM 0 HB3 ARG A 70 -8.956 -13.885 -1.620 1.00 53.45 H new ATOM 0 HG2 ARG A 70 -7.672 -11.972 -3.618 1.00 71.52 H new ATOM 0 HG3 ARG A 70 -8.888 -13.140 -4.098 1.00 71.52 H new ATOM 0 HD2 ARG A 70 -10.503 -12.099 -2.483 1.00 24.45 H new ATOM 0 HD3 ARG A 70 -9.288 -10.914 -2.048 1.00 24.45 H new ATOM 0 HE ARG A 70 -9.884 -11.036 -4.928 1.00 50.01 H new ATOM 0 HH11 ARG A 70 -10.696 -9.492 -1.826 1.00 62.11 H new ATOM 0 HH12 ARG A 70 -11.429 -8.085 -2.604 1.00 62.11 H new ATOM 0 HH21 ARG A 70 -10.829 -9.235 -5.878 1.00 75.25 H new ATOM 0 HH22 ARG A 70 -11.502 -7.943 -4.880 1.00 75.25 H new ATOM 1153 N LYS A 71 -8.648 -12.440 0.853 1.00 45.41 N ATOM 1154 CA LYS A 71 -9.441 -11.652 1.825 1.00 35.40 C ATOM 1155 C LYS A 71 -8.518 -10.851 2.770 1.00 24.31 C ATOM 1156 O LYS A 71 -8.809 -9.692 3.115 1.00 3.41 O ATOM 1157 CB LYS A 71 -10.373 -12.601 2.630 1.00 53.12 C ATOM 1158 CG LYS A 71 -11.261 -11.904 3.692 1.00 13.41 C ATOM 1159 CD LYS A 71 -12.207 -12.892 4.411 1.00 4.33 C ATOM 1160 CE LYS A 71 -13.020 -12.240 5.540 1.00 71.34 C ATOM 1161 NZ LYS A 71 -13.912 -11.150 5.049 1.00 43.13 N ATOM 0 H LYS A 71 -8.735 -13.448 0.983 1.00 45.41 H new ATOM 0 HA LYS A 71 -10.055 -10.934 1.280 1.00 35.40 H new ATOM 0 HB2 LYS A 71 -11.019 -13.131 1.930 1.00 53.12 H new ATOM 0 HB3 LYS A 71 -9.759 -13.352 3.128 1.00 53.12 H new ATOM 0 HG2 LYS A 71 -10.624 -11.414 4.429 1.00 13.41 H new ATOM 0 HG3 LYS A 71 -11.852 -11.124 3.212 1.00 13.41 H new ATOM 0 HD2 LYS A 71 -12.892 -13.324 3.682 1.00 4.33 H new ATOM 0 HD3 LYS A 71 -11.620 -13.713 4.822 1.00 4.33 H new ATOM 0 HE2 LYS A 71 -13.622 -13.002 6.036 1.00 71.34 H new ATOM 0 HE3 LYS A 71 -12.337 -11.837 6.288 1.00 71.34 H new ATOM 0 HZ1 LYS A 71 -14.437 -10.744 5.850 1.00 43.13 H new ATOM 0 HZ2 LYS A 71 -13.338 -10.408 4.599 1.00 43.13 H new ATOM 0 HZ3 LYS A 71 -14.583 -11.537 4.355 1.00 43.13 H new ATOM 1175 N LYS A 72 -7.396 -11.486 3.154 1.00 10.22 N ATOM 1176 CA LYS A 72 -6.351 -10.871 3.984 1.00 72.50 C ATOM 1177 C LYS A 72 -5.716 -9.674 3.248 1.00 30.25 C ATOM 1178 O LYS A 72 -5.665 -8.570 3.786 1.00 43.44 O ATOM 1179 CB LYS A 72 -5.246 -11.907 4.308 1.00 54.25 C ATOM 1180 CG LYS A 72 -5.631 -13.057 5.259 1.00 34.33 C ATOM 1181 CD LYS A 72 -5.965 -12.563 6.685 1.00 43.51 C ATOM 1182 CE LYS A 72 -6.003 -13.706 7.714 1.00 61.34 C ATOM 1183 NZ LYS A 72 -6.968 -14.773 7.347 1.00 12.43 N ATOM 0 H LYS A 72 -7.190 -12.450 2.893 1.00 10.22 H new ATOM 0 HA LYS A 72 -6.811 -10.525 4.910 1.00 72.50 H new ATOM 0 HB2 LYS A 72 -4.902 -12.342 3.370 1.00 54.25 H new ATOM 0 HB3 LYS A 72 -4.399 -11.376 4.742 1.00 54.25 H new ATOM 0 HG2 LYS A 72 -6.491 -13.588 4.852 1.00 34.33 H new ATOM 0 HG3 LYS A 72 -4.810 -13.772 5.309 1.00 34.33 H new ATOM 0 HD2 LYS A 72 -5.223 -11.826 6.993 1.00 43.51 H new ATOM 0 HD3 LYS A 72 -6.931 -12.057 6.673 1.00 43.51 H new ATOM 0 HE2 LYS A 72 -5.007 -14.139 7.808 1.00 61.34 H new ATOM 0 HE3 LYS A 72 -6.268 -13.302 8.691 1.00 61.34 H new ATOM 0 HZ1 LYS A 72 -7.236 -15.306 8.199 1.00 12.43 H new ATOM 0 HZ2 LYS A 72 -7.817 -14.344 6.926 1.00 12.43 H new ATOM 0 HZ3 LYS A 72 -6.528 -15.417 6.659 1.00 12.43 H new ATOM 1197 N ALA A 73 -5.273 -9.933 1.998 1.00 54.25 N ATOM 1198 CA ALA A 73 -4.576 -8.949 1.143 1.00 70.44 C ATOM 1199 C ALA A 73 -5.507 -7.806 0.700 1.00 53.34 C ATOM 1200 O ALA A 73 -5.049 -6.683 0.465 1.00 72.33 O ATOM 1201 CB ALA A 73 -3.976 -9.652 -0.075 1.00 72.13 C ATOM 0 H ALA A 73 -5.391 -10.842 1.550 1.00 54.25 H new ATOM 0 HA ALA A 73 -3.777 -8.502 1.734 1.00 70.44 H new ATOM 0 HB1 ALA A 73 -3.464 -8.921 -0.701 1.00 72.13 H new ATOM 0 HB2 ALA A 73 -3.265 -10.409 0.256 1.00 72.13 H new ATOM 0 HB3 ALA A 73 -4.771 -10.128 -0.649 1.00 72.13 H new ATOM 1207 N LYS A 74 -6.810 -8.132 0.576 1.00 70.30 N ATOM 1208 CA LYS A 74 -7.885 -7.163 0.286 1.00 32.11 C ATOM 1209 C LYS A 74 -7.897 -6.061 1.354 1.00 71.25 C ATOM 1210 O LYS A 74 -7.780 -4.871 1.043 1.00 54.34 O ATOM 1211 CB LYS A 74 -9.267 -7.900 0.256 1.00 54.05 C ATOM 1212 CG LYS A 74 -10.509 -7.005 0.501 1.00 65.43 C ATOM 1213 CD LYS A 74 -11.820 -7.812 0.631 1.00 15.14 C ATOM 1214 CE LYS A 74 -12.992 -6.950 1.131 1.00 22.42 C ATOM 1215 NZ LYS A 74 -13.265 -5.800 0.232 1.00 11.41 N ATOM 0 H LYS A 74 -7.149 -9.089 0.676 1.00 70.30 H new ATOM 0 HA LYS A 74 -7.705 -6.707 -0.688 1.00 32.11 H new ATOM 0 HB2 LYS A 74 -9.378 -8.387 -0.713 1.00 54.05 H new ATOM 0 HB3 LYS A 74 -9.255 -8.688 1.009 1.00 54.05 H new ATOM 0 HG2 LYS A 74 -10.356 -6.422 1.409 1.00 65.43 H new ATOM 0 HG3 LYS A 74 -10.606 -6.295 -0.321 1.00 65.43 H new ATOM 0 HD2 LYS A 74 -12.076 -8.242 -0.337 1.00 15.14 H new ATOM 0 HD3 LYS A 74 -11.665 -8.644 1.318 1.00 15.14 H new ATOM 0 HE2 LYS A 74 -13.887 -7.567 1.211 1.00 22.42 H new ATOM 0 HE3 LYS A 74 -12.769 -6.581 2.132 1.00 22.42 H new ATOM 0 HZ1 LYS A 74 -14.104 -5.286 0.570 1.00 11.41 H new ATOM 0 HZ2 LYS A 74 -12.445 -5.160 0.228 1.00 11.41 H new ATOM 0 HZ3 LYS A 74 -13.438 -6.147 -0.733 1.00 11.41 H new ATOM 1229 N LYS A 75 -7.997 -6.506 2.620 1.00 61.12 N ATOM 1230 CA LYS A 75 -8.061 -5.625 3.788 1.00 30.24 C ATOM 1231 C LYS A 75 -6.706 -4.938 4.006 1.00 62.23 C ATOM 1232 O LYS A 75 -6.653 -3.759 4.346 1.00 2.22 O ATOM 1233 CB LYS A 75 -8.453 -6.445 5.042 1.00 22.45 C ATOM 1234 CG LYS A 75 -8.585 -5.609 6.339 1.00 20.54 C ATOM 1235 CD LYS A 75 -8.769 -6.479 7.602 1.00 12.34 C ATOM 1236 CE LYS A 75 -7.561 -7.395 7.878 1.00 14.03 C ATOM 1237 NZ LYS A 75 -7.726 -8.152 9.149 1.00 34.32 N ATOM 0 H LYS A 75 -8.036 -7.497 2.857 1.00 61.12 H new ATOM 0 HA LYS A 75 -8.816 -4.858 3.615 1.00 30.24 H new ATOM 0 HB2 LYS A 75 -9.401 -6.948 4.850 1.00 22.45 H new ATOM 0 HB3 LYS A 75 -7.706 -7.223 5.200 1.00 22.45 H new ATOM 0 HG2 LYS A 75 -7.696 -4.990 6.458 1.00 20.54 H new ATOM 0 HG3 LYS A 75 -9.434 -4.932 6.244 1.00 20.54 H new ATOM 0 HD2 LYS A 75 -8.932 -5.831 8.463 1.00 12.34 H new ATOM 0 HD3 LYS A 75 -9.664 -7.090 7.489 1.00 12.34 H new ATOM 0 HE2 LYS A 75 -7.437 -8.094 7.051 1.00 14.03 H new ATOM 0 HE3 LYS A 75 -6.652 -6.795 7.927 1.00 14.03 H new ATOM 0 HZ1 LYS A 75 -6.895 -8.758 9.303 1.00 34.32 H new ATOM 0 HZ2 LYS A 75 -7.819 -7.484 9.941 1.00 34.32 H new ATOM 0 HZ3 LYS A 75 -8.580 -8.743 9.093 1.00 34.32 H new ATOM 1251 N TRP A 76 -5.626 -5.700 3.754 1.00 73.53 N ATOM 1252 CA TRP A 76 -4.237 -5.266 3.957 1.00 52.22 C ATOM 1253 C TRP A 76 -3.913 -4.022 3.111 1.00 14.32 C ATOM 1254 O TRP A 76 -3.362 -3.053 3.624 1.00 70.11 O ATOM 1255 CB TRP A 76 -3.274 -6.435 3.608 1.00 33.14 C ATOM 1256 CG TRP A 76 -1.808 -6.093 3.716 1.00 73.15 C ATOM 1257 CD1 TRP A 76 -1.028 -6.140 4.834 1.00 4.41 C ATOM 1258 CD2 TRP A 76 -0.958 -5.626 2.655 1.00 64.20 C ATOM 1259 NE1 TRP A 76 0.243 -5.736 4.527 1.00 63.21 N ATOM 1260 CE2 TRP A 76 0.312 -5.416 3.205 1.00 64.33 C ATOM 1261 CE3 TRP A 76 -1.159 -5.365 1.293 1.00 62.22 C ATOM 1262 CZ2 TRP A 76 1.382 -4.960 2.450 1.00 62.20 C ATOM 1263 CZ3 TRP A 76 -0.099 -4.908 0.543 1.00 22.12 C ATOM 1264 CH2 TRP A 76 1.158 -4.709 1.122 1.00 11.44 C ATOM 0 H TRP A 76 -5.699 -6.653 3.397 1.00 73.53 H new ATOM 0 HA TRP A 76 -4.105 -4.992 5.004 1.00 52.22 H new ATOM 0 HB2 TRP A 76 -3.488 -7.275 4.269 1.00 33.14 H new ATOM 0 HB3 TRP A 76 -3.482 -6.769 2.592 1.00 33.14 H new ATOM 0 HD1 TRP A 76 -1.363 -6.449 5.813 1.00 4.41 H new ATOM 0 HE1 TRP A 76 1.019 -5.683 5.187 1.00 63.21 H new ATOM 0 HE3 TRP A 76 -2.127 -5.519 0.840 1.00 62.22 H new ATOM 0 HZ2 TRP A 76 2.356 -4.808 2.892 1.00 62.20 H new ATOM 0 HZ3 TRP A 76 -0.240 -4.700 -0.507 1.00 22.12 H new ATOM 0 HH2 TRP A 76 1.971 -4.349 0.508 1.00 11.44 H new ATOM 1275 N ALA A 77 -4.265 -4.079 1.811 1.00 51.51 N ATOM 1276 CA ALA A 77 -4.040 -2.977 0.855 1.00 71.13 C ATOM 1277 C ALA A 77 -4.780 -1.692 1.284 1.00 0.34 C ATOM 1278 O ALA A 77 -4.318 -0.575 1.022 1.00 0.23 O ATOM 1279 CB ALA A 77 -4.468 -3.417 -0.550 1.00 33.52 C ATOM 0 H ALA A 77 -4.715 -4.894 1.393 1.00 51.51 H new ATOM 0 HA ALA A 77 -2.976 -2.742 0.844 1.00 71.13 H new ATOM 0 HB1 ALA A 77 -4.301 -2.601 -1.253 1.00 33.52 H new ATOM 0 HB2 ALA A 77 -3.882 -4.284 -0.854 1.00 33.52 H new ATOM 0 HB3 ALA A 77 -5.526 -3.679 -0.543 1.00 33.52 H new ATOM 1285 N LEU A 78 -5.929 -1.883 1.962 1.00 21.43 N ATOM 1286 CA LEU A 78 -6.737 -0.790 2.522 1.00 34.31 C ATOM 1287 C LEU A 78 -6.058 -0.215 3.771 1.00 3.34 C ATOM 1288 O LEU A 78 -6.025 1.007 3.951 1.00 53.33 O ATOM 1289 CB LEU A 78 -8.162 -1.299 2.873 1.00 40.32 C ATOM 1290 CG LEU A 78 -8.962 -1.931 1.697 1.00 32.11 C ATOM 1291 CD1 LEU A 78 -10.350 -2.434 2.159 1.00 13.02 C ATOM 1292 CD2 LEU A 78 -9.064 -0.951 0.513 1.00 0.21 C ATOM 0 H LEU A 78 -6.322 -2.808 2.136 1.00 21.43 H new ATOM 0 HA LEU A 78 -6.822 -0.001 1.775 1.00 34.31 H new ATOM 0 HB2 LEU A 78 -8.078 -2.038 3.669 1.00 40.32 H new ATOM 0 HB3 LEU A 78 -8.738 -0.464 3.273 1.00 40.32 H new ATOM 0 HG LEU A 78 -8.414 -2.806 1.349 1.00 32.11 H new ATOM 0 HD11 LEU A 78 -10.880 -2.869 1.312 1.00 13.02 H new ATOM 0 HD12 LEU A 78 -10.224 -3.190 2.934 1.00 13.02 H new ATOM 0 HD13 LEU A 78 -10.926 -1.598 2.557 1.00 13.02 H new ATOM 0 HD21 LEU A 78 -9.627 -1.416 -0.296 1.00 0.21 H new ATOM 0 HD22 LEU A 78 -9.574 -0.043 0.835 1.00 0.21 H new ATOM 0 HD23 LEU A 78 -8.063 -0.700 0.161 1.00 0.21 H new ATOM 1304 N GLU A 79 -5.496 -1.117 4.618 1.00 20.40 N ATOM 1305 CA GLU A 79 -4.789 -0.722 5.843 1.00 5.13 C ATOM 1306 C GLU A 79 -3.585 0.163 5.485 1.00 71.24 C ATOM 1307 O GLU A 79 -3.479 1.272 5.992 1.00 32.11 O ATOM 1308 CB GLU A 79 -4.315 -1.954 6.674 1.00 31.22 C ATOM 1309 CG GLU A 79 -5.425 -2.908 7.156 1.00 4.24 C ATOM 1310 CD GLU A 79 -6.524 -2.220 7.989 1.00 75.44 C ATOM 1311 OE1 GLU A 79 -6.204 -1.628 9.044 1.00 52.02 O ATOM 1312 OE2 GLU A 79 -7.712 -2.272 7.603 1.00 41.04 O ATOM 0 H GLU A 79 -5.525 -2.125 4.464 1.00 20.40 H new ATOM 0 HA GLU A 79 -5.491 -0.163 6.462 1.00 5.13 H new ATOM 0 HB2 GLU A 79 -3.609 -2.525 6.071 1.00 31.22 H new ATOM 0 HB3 GLU A 79 -3.770 -1.592 7.546 1.00 31.22 H new ATOM 0 HG2 GLU A 79 -5.884 -3.382 6.289 1.00 4.24 H new ATOM 0 HG3 GLU A 79 -4.974 -3.701 7.752 1.00 4.24 H new ATOM 1319 N VAL A 80 -2.747 -0.327 4.535 1.00 31.42 N ATOM 1320 CA VAL A 80 -1.539 0.377 4.037 1.00 73.13 C ATOM 1321 C VAL A 80 -1.890 1.789 3.531 1.00 42.24 C ATOM 1322 O VAL A 80 -1.240 2.768 3.910 1.00 62.03 O ATOM 1323 CB VAL A 80 -0.843 -0.440 2.875 1.00 21.24 C ATOM 1324 CG1 VAL A 80 0.373 0.306 2.273 1.00 23.22 C ATOM 1325 CG2 VAL A 80 -0.422 -1.845 3.348 1.00 11.53 C ATOM 0 H VAL A 80 -2.894 -1.232 4.089 1.00 31.42 H new ATOM 0 HA VAL A 80 -0.846 0.462 4.874 1.00 73.13 H new ATOM 0 HB VAL A 80 -1.589 -0.544 2.087 1.00 21.24 H new ATOM 0 HG11 VAL A 80 0.814 -0.298 1.480 1.00 23.22 H new ATOM 0 HG12 VAL A 80 0.047 1.262 1.863 1.00 23.22 H new ATOM 0 HG13 VAL A 80 1.115 0.480 3.052 1.00 23.22 H new ATOM 0 HG21 VAL A 80 0.053 -2.379 2.525 1.00 11.53 H new ATOM 0 HG22 VAL A 80 0.281 -1.755 4.176 1.00 11.53 H new ATOM 0 HG23 VAL A 80 -1.302 -2.397 3.678 1.00 11.53 H new ATOM 1335 N ALA A 81 -2.953 1.865 2.710 1.00 4.41 N ATOM 1336 CA ALA A 81 -3.460 3.131 2.148 1.00 70.33 C ATOM 1337 C ALA A 81 -3.848 4.131 3.257 1.00 20.02 C ATOM 1338 O ALA A 81 -3.531 5.322 3.169 1.00 22.05 O ATOM 1339 CB ALA A 81 -4.658 2.848 1.236 1.00 51.31 C ATOM 0 H ALA A 81 -3.487 1.047 2.416 1.00 4.41 H new ATOM 0 HA ALA A 81 -2.661 3.588 1.564 1.00 70.33 H new ATOM 0 HB1 ALA A 81 -5.030 3.785 0.823 1.00 51.31 H new ATOM 0 HB2 ALA A 81 -4.349 2.190 0.423 1.00 51.31 H new ATOM 0 HB3 ALA A 81 -5.448 2.367 1.812 1.00 51.31 H new ATOM 1345 N ASN A 82 -4.507 3.613 4.312 1.00 72.25 N ATOM 1346 CA ASN A 82 -4.937 4.411 5.480 1.00 35.33 C ATOM 1347 C ASN A 82 -3.752 4.765 6.394 1.00 40.20 C ATOM 1348 O ASN A 82 -3.808 5.780 7.089 1.00 42.00 O ATOM 1349 CB ASN A 82 -6.052 3.686 6.294 1.00 63.13 C ATOM 1350 CG ASN A 82 -7.462 3.908 5.724 1.00 1.34 C ATOM 1351 OD1 ASN A 82 -8.121 4.892 6.057 1.00 3.41 O ATOM 1352 ND2 ASN A 82 -7.948 3.000 4.896 1.00 23.15 N ATOM 0 H ASN A 82 -4.757 2.627 4.379 1.00 72.25 H new ATOM 0 HA ASN A 82 -5.352 5.340 5.089 1.00 35.33 H new ATOM 0 HB2 ASN A 82 -5.840 2.617 6.315 1.00 63.13 H new ATOM 0 HB3 ASN A 82 -6.025 4.037 7.326 1.00 63.13 H new ATOM 0 HD21 ASN A 82 -8.889 3.106 4.518 1.00 23.15 H new ATOM 0 HD22 ASN A 82 -7.382 2.193 4.635 1.00 23.15 H new ATOM 1359 N LYS A 83 -2.693 3.922 6.411 1.00 64.52 N ATOM 1360 CA LYS A 83 -1.484 4.187 7.224 1.00 32.02 C ATOM 1361 C LYS A 83 -0.753 5.424 6.677 1.00 11.10 C ATOM 1362 O LYS A 83 -0.421 6.339 7.431 1.00 11.21 O ATOM 1363 CB LYS A 83 -0.507 2.973 7.271 1.00 43.25 C ATOM 1364 CG LYS A 83 -1.078 1.670 7.876 1.00 22.05 C ATOM 1365 CD LYS A 83 -1.766 1.862 9.246 1.00 72.24 C ATOM 1366 CE LYS A 83 -2.331 0.550 9.812 1.00 62.30 C ATOM 1367 NZ LYS A 83 -2.997 0.769 11.123 1.00 3.21 N ATOM 0 H LYS A 83 -2.652 3.056 5.873 1.00 64.52 H new ATOM 0 HA LYS A 83 -1.818 4.366 8.246 1.00 32.02 H new ATOM 0 HB2 LYS A 83 -0.171 2.762 6.256 1.00 43.25 H new ATOM 0 HB3 LYS A 83 0.373 3.262 7.845 1.00 43.25 H new ATOM 0 HG2 LYS A 83 -1.796 1.241 7.177 1.00 22.05 H new ATOM 0 HG3 LYS A 83 -0.269 0.947 7.985 1.00 22.05 H new ATOM 0 HD2 LYS A 83 -1.049 2.280 9.953 1.00 72.24 H new ATOM 0 HD3 LYS A 83 -2.573 2.587 9.145 1.00 72.24 H new ATOM 0 HE2 LYS A 83 -3.044 0.124 9.106 1.00 62.30 H new ATOM 0 HE3 LYS A 83 -1.526 -0.175 9.928 1.00 62.30 H new ATOM 0 HZ1 LYS A 83 -3.368 -0.135 11.479 1.00 3.21 H new ATOM 0 HZ2 LYS A 83 -2.309 1.153 11.802 1.00 3.21 H new ATOM 0 HZ3 LYS A 83 -3.781 1.443 11.006 1.00 3.21 H new ATOM 1381 N ILE A 84 -0.562 5.431 5.345 1.00 34.54 N ATOM 1382 CA ILE A 84 0.090 6.526 4.600 1.00 43.50 C ATOM 1383 C ILE A 84 -0.735 7.830 4.724 1.00 40.23 C ATOM 1384 O ILE A 84 -0.181 8.911 4.975 1.00 13.20 O ATOM 1385 CB ILE A 84 0.241 6.128 3.077 1.00 43.51 C ATOM 1386 CG1 ILE A 84 1.038 4.792 2.922 1.00 64.30 C ATOM 1387 CG2 ILE A 84 0.904 7.253 2.253 1.00 64.53 C ATOM 1388 CD1 ILE A 84 0.935 4.129 1.549 1.00 2.44 C ATOM 0 H ILE A 84 -0.861 4.663 4.745 1.00 34.54 H new ATOM 0 HA ILE A 84 1.079 6.696 5.026 1.00 43.50 H new ATOM 0 HB ILE A 84 -0.764 5.978 2.683 1.00 43.51 H new ATOM 0 HG12 ILE A 84 2.089 4.988 3.135 1.00 64.30 H new ATOM 0 HG13 ILE A 84 0.685 4.088 3.675 1.00 64.30 H new ATOM 0 HG21 ILE A 84 0.989 6.940 1.212 1.00 64.53 H new ATOM 0 HG22 ILE A 84 0.294 8.155 2.312 1.00 64.53 H new ATOM 0 HG23 ILE A 84 1.897 7.460 2.652 1.00 64.53 H new ATOM 0 HD11 ILE A 84 1.522 3.210 1.544 1.00 2.44 H new ATOM 0 HD12 ILE A 84 -0.108 3.895 1.335 1.00 2.44 H new ATOM 0 HD13 ILE A 84 1.317 4.808 0.787 1.00 2.44 H new ATOM 1400 N ALA A 85 -2.073 7.689 4.576 1.00 22.21 N ATOM 1401 CA ALA A 85 -3.013 8.823 4.580 1.00 63.34 C ATOM 1402 C ALA A 85 -3.077 9.517 5.956 1.00 74.23 C ATOM 1403 O ALA A 85 -2.877 10.731 6.048 1.00 65.11 O ATOM 1404 CB ALA A 85 -4.414 8.354 4.149 1.00 45.20 C ATOM 0 H ALA A 85 -2.526 6.784 4.451 1.00 22.21 H new ATOM 0 HA ALA A 85 -2.644 9.557 3.864 1.00 63.34 H new ATOM 0 HB1 ALA A 85 -5.100 9.201 4.156 1.00 45.20 H new ATOM 0 HB2 ALA A 85 -4.364 7.936 3.144 1.00 45.20 H new ATOM 0 HB3 ALA A 85 -4.772 7.592 4.842 1.00 45.20 H new ATOM 1410 N ASN A 86 -3.297 8.709 7.013 1.00 24.35 N ATOM 1411 CA ASN A 86 -3.563 9.192 8.393 1.00 30.55 C ATOM 1412 C ASN A 86 -2.454 10.118 8.923 1.00 34.31 C ATOM 1413 O ASN A 86 -2.732 11.076 9.656 1.00 4.21 O ATOM 1414 CB ASN A 86 -3.750 7.979 9.350 1.00 12.55 C ATOM 1415 CG ASN A 86 -4.013 8.377 10.809 1.00 11.32 C ATOM 1416 OD1 ASN A 86 -5.159 8.578 11.215 1.00 53.40 O ATOM 1417 ND2 ASN A 86 -2.951 8.503 11.601 1.00 34.32 N ATOM 0 H ASN A 86 -3.296 7.692 6.937 1.00 24.35 H new ATOM 0 HA ASN A 86 -4.479 9.782 8.357 1.00 30.55 H new ATOM 0 HB2 ASN A 86 -4.582 7.371 8.993 1.00 12.55 H new ATOM 0 HB3 ASN A 86 -2.858 7.354 9.309 1.00 12.55 H new ATOM 0 HD21 ASN A 86 -3.072 8.774 12.577 1.00 34.32 H new ATOM 0 HD22 ASN A 86 -2.016 8.329 11.232 1.00 34.32 H new ATOM 1424 N GLU A 87 -1.206 9.833 8.529 1.00 41.03 N ATOM 1425 CA GLU A 87 -0.027 10.586 8.991 1.00 43.02 C ATOM 1426 C GLU A 87 -0.073 12.066 8.558 1.00 62.14 C ATOM 1427 O GLU A 87 0.490 12.929 9.232 1.00 45.21 O ATOM 1428 CB GLU A 87 1.274 9.909 8.491 1.00 13.14 C ATOM 1429 CG GLU A 87 1.436 8.440 8.929 1.00 42.20 C ATOM 1430 CD GLU A 87 1.327 8.239 10.453 1.00 45.44 C ATOM 1431 OE1 GLU A 87 2.346 8.382 11.154 1.00 61.30 O ATOM 1432 OE2 GLU A 87 0.213 7.956 10.964 1.00 25.44 O ATOM 0 H GLU A 87 -0.983 9.076 7.883 1.00 41.03 H new ATOM 0 HA GLU A 87 -0.038 10.573 10.081 1.00 43.02 H new ATOM 0 HB2 GLU A 87 1.298 9.956 7.402 1.00 13.14 H new ATOM 0 HB3 GLU A 87 2.129 10.480 8.854 1.00 13.14 H new ATOM 0 HG2 GLU A 87 0.675 7.836 8.435 1.00 42.20 H new ATOM 0 HG3 GLU A 87 2.405 8.072 8.590 1.00 42.20 H new ATOM 1439 N LEU A 88 -0.737 12.342 7.420 1.00 14.34 N ATOM 1440 CA LEU A 88 -0.892 13.704 6.869 1.00 34.11 C ATOM 1441 C LEU A 88 -2.377 14.118 6.840 1.00 33.43 C ATOM 1442 O LEU A 88 -2.727 15.137 6.224 1.00 64.21 O ATOM 1443 CB LEU A 88 -0.301 13.770 5.421 1.00 22.22 C ATOM 1444 CG LEU A 88 1.246 13.586 5.256 1.00 70.25 C ATOM 1445 CD1 LEU A 88 2.035 14.536 6.179 1.00 24.42 C ATOM 1446 CD2 LEU A 88 1.691 12.108 5.419 1.00 11.02 C ATOM 0 H LEU A 88 -1.184 11.622 6.852 1.00 14.34 H new ATOM 0 HA LEU A 88 -0.349 14.395 7.514 1.00 34.11 H new ATOM 0 HB2 LEU A 88 -0.795 13.005 4.822 1.00 22.22 H new ATOM 0 HB3 LEU A 88 -0.571 14.735 4.992 1.00 22.22 H new ATOM 0 HG LEU A 88 1.486 13.863 4.230 1.00 70.25 H new ATOM 0 HD11 LEU A 88 3.104 14.378 6.035 1.00 24.42 H new ATOM 0 HD12 LEU A 88 1.785 15.569 5.937 1.00 24.42 H new ATOM 0 HD13 LEU A 88 1.775 14.333 7.218 1.00 24.42 H new ATOM 0 HD21 LEU A 88 2.772 12.038 5.295 1.00 11.02 H new ATOM 0 HD22 LEU A 88 1.416 11.753 6.412 1.00 11.02 H new ATOM 0 HD23 LEU A 88 1.199 11.494 4.665 1.00 11.02 H new ATOM 1458 N GLY A 89 -3.240 13.342 7.528 1.00 21.33 N ATOM 1459 CA GLY A 89 -4.692 13.482 7.397 1.00 34.03 C ATOM 1460 C GLY A 89 -5.161 12.926 6.060 1.00 74.43 C ATOM 1461 O GLY A 89 -5.719 11.821 5.995 1.00 13.31 O ATOM 0 H GLY A 89 -2.949 12.613 8.179 1.00 21.33 H new ATOM 0 HA2 GLY A 89 -5.189 12.955 8.211 1.00 34.03 H new ATOM 0 HA3 GLY A 89 -4.971 14.532 7.479 1.00 34.03 H new ATOM 1465 N ALA A 90 -4.910 13.720 5.000 1.00 25.14 N ATOM 1466 CA ALA A 90 -4.953 13.282 3.588 1.00 71.03 C ATOM 1467 C ALA A 90 -6.335 12.720 3.173 1.00 35.31 C ATOM 1468 O ALA A 90 -7.357 13.136 3.723 1.00 12.25 O ATOM 1469 CB ALA A 90 -3.804 12.296 3.338 1.00 11.11 C ATOM 0 H ALA A 90 -4.666 14.705 5.103 1.00 25.14 H new ATOM 0 HA ALA A 90 -4.812 14.152 2.946 1.00 71.03 H new ATOM 0 HB1 ALA A 90 -3.827 11.967 2.299 1.00 11.11 H new ATOM 0 HB2 ALA A 90 -2.852 12.787 3.542 1.00 11.11 H new ATOM 0 HB3 ALA A 90 -3.916 11.433 3.995 1.00 11.11 H new ATOM 1475 N LYS A 91 -6.363 11.781 2.201 1.00 31.42 N ATOM 1476 CA LYS A 91 -7.615 11.273 1.610 1.00 55.14 C ATOM 1477 C LYS A 91 -7.537 9.741 1.411 1.00 24.22 C ATOM 1478 O LYS A 91 -6.453 9.156 1.463 1.00 64.43 O ATOM 1479 CB LYS A 91 -7.875 12.013 0.267 1.00 74.31 C ATOM 1480 CG LYS A 91 -9.265 11.762 -0.356 1.00 31.33 C ATOM 1481 CD LYS A 91 -9.484 12.545 -1.669 1.00 11.22 C ATOM 1482 CE LYS A 91 -10.915 12.412 -2.205 1.00 0.04 C ATOM 1483 NZ LYS A 91 -11.133 13.226 -3.430 1.00 53.51 N ATOM 0 H LYS A 91 -5.522 11.358 1.808 1.00 31.42 H new ATOM 0 HA LYS A 91 -8.449 11.467 2.284 1.00 55.14 H new ATOM 0 HB2 LYS A 91 -7.754 13.084 0.430 1.00 74.31 H new ATOM 0 HB3 LYS A 91 -7.112 11.712 -0.451 1.00 74.31 H new ATOM 0 HG2 LYS A 91 -9.384 10.696 -0.550 1.00 31.33 H new ATOM 0 HG3 LYS A 91 -10.036 12.043 0.362 1.00 31.33 H new ATOM 0 HD2 LYS A 91 -9.260 13.598 -1.501 1.00 11.22 H new ATOM 0 HD3 LYS A 91 -8.783 12.186 -2.423 1.00 11.22 H new ATOM 0 HE2 LYS A 91 -11.123 11.365 -2.425 1.00 0.04 H new ATOM 0 HE3 LYS A 91 -11.620 12.722 -1.434 1.00 0.04 H new ATOM 0 HZ1 LYS A 91 -12.113 13.106 -3.757 1.00 53.51 H new ATOM 0 HZ2 LYS A 91 -10.960 14.229 -3.216 1.00 53.51 H new ATOM 0 HZ3 LYS A 91 -10.479 12.914 -4.175 1.00 53.51 H new ATOM 1497 N GLN A 92 -8.708 9.109 1.201 1.00 50.22 N ATOM 1498 CA GLN A 92 -8.839 7.654 0.986 1.00 42.04 C ATOM 1499 C GLN A 92 -8.382 7.216 -0.423 1.00 41.12 C ATOM 1500 O GLN A 92 -8.016 8.041 -1.273 1.00 62.13 O ATOM 1501 CB GLN A 92 -10.313 7.232 1.246 1.00 13.31 C ATOM 1502 CG GLN A 92 -10.778 7.417 2.699 1.00 41.50 C ATOM 1503 CD GLN A 92 -9.997 6.553 3.689 1.00 62.23 C ATOM 1504 OE1 GLN A 92 -10.382 5.420 3.986 1.00 62.41 O ATOM 1505 NE2 GLN A 92 -8.876 7.066 4.186 1.00 35.34 N ATOM 0 H GLN A 92 -9.601 9.601 1.176 1.00 50.22 H new ATOM 0 HA GLN A 92 -8.178 7.149 1.690 1.00 42.04 H new ATOM 0 HB2 GLN A 92 -10.965 7.811 0.592 1.00 13.31 H new ATOM 0 HB3 GLN A 92 -10.433 6.185 0.969 1.00 13.31 H new ATOM 0 HG2 GLN A 92 -10.673 8.465 2.978 1.00 41.50 H new ATOM 0 HG3 GLN A 92 -11.838 7.173 2.770 1.00 41.50 H new ATOM 0 HE21 GLN A 92 -8.584 8.007 3.921 1.00 35.34 H new ATOM 0 HE22 GLN A 92 -8.308 6.519 4.833 1.00 35.34 H new ATOM 1514 N SER A 93 -8.415 5.893 -0.639 1.00 4.54 N ATOM 1515 CA SER A 93 -7.951 5.243 -1.872 1.00 33.53 C ATOM 1516 C SER A 93 -9.115 4.578 -2.626 1.00 64.50 C ATOM 1517 O SER A 93 -10.099 4.148 -2.011 1.00 65.22 O ATOM 1518 CB SER A 93 -6.900 4.181 -1.496 1.00 22.54 C ATOM 1519 OG SER A 93 -7.420 3.238 -0.560 1.00 23.23 O ATOM 0 H SER A 93 -8.772 5.233 0.052 1.00 4.54 H new ATOM 0 HA SER A 93 -7.518 5.996 -2.530 1.00 33.53 H new ATOM 0 HB2 SER A 93 -6.571 3.659 -2.395 1.00 22.54 H new ATOM 0 HB3 SER A 93 -6.023 4.670 -1.072 1.00 22.54 H new ATOM 0 HG SER A 93 -7.249 3.554 0.352 1.00 23.23 H new ATOM 1525 N THR A 94 -8.964 4.455 -3.954 1.00 73.32 N ATOM 1526 CA THR A 94 -9.910 3.719 -4.801 1.00 34.14 C ATOM 1527 C THR A 94 -9.419 2.267 -4.955 1.00 5.35 C ATOM 1528 O THR A 94 -8.241 2.025 -5.221 1.00 30.34 O ATOM 1529 CB THR A 94 -10.094 4.397 -6.210 1.00 4.21 C ATOM 1530 OG1 THR A 94 -11.001 3.631 -7.028 1.00 54.32 O ATOM 1531 CG2 THR A 94 -8.765 4.580 -6.969 1.00 30.53 C ATOM 0 H THR A 94 -8.183 4.863 -4.468 1.00 73.32 H new ATOM 0 HA THR A 94 -10.887 3.731 -4.319 1.00 34.14 H new ATOM 0 HB THR A 94 -10.505 5.388 -6.016 1.00 4.21 H new ATOM 0 HG1 THR A 94 -11.105 4.068 -7.899 1.00 54.32 H new ATOM 0 HG21 THR A 94 -8.958 5.052 -7.932 1.00 30.53 H new ATOM 0 HG22 THR A 94 -8.096 5.210 -6.384 1.00 30.53 H new ATOM 0 HG23 THR A 94 -8.300 3.607 -7.129 1.00 30.53 H new ATOM 1539 N THR A 95 -10.324 1.309 -4.734 1.00 72.31 N ATOM 1540 CA THR A 95 -10.024 -0.124 -4.811 1.00 35.23 C ATOM 1541 C THR A 95 -10.595 -0.700 -6.113 1.00 12.33 C ATOM 1542 O THR A 95 -11.778 -0.506 -6.413 1.00 52.00 O ATOM 1543 CB THR A 95 -10.627 -0.860 -3.576 1.00 31.43 C ATOM 1544 OG1 THR A 95 -10.164 -0.214 -2.376 1.00 3.22 O ATOM 1545 CG2 THR A 95 -10.241 -2.351 -3.542 1.00 74.42 C ATOM 0 H THR A 95 -11.295 1.508 -4.494 1.00 72.31 H new ATOM 0 HA THR A 95 -8.944 -0.270 -4.806 1.00 35.23 H new ATOM 0 HB THR A 95 -11.713 -0.807 -3.648 1.00 31.43 H new ATOM 0 HG1 THR A 95 -10.897 -0.165 -1.727 1.00 3.22 H new ATOM 0 HG21 THR A 95 -10.684 -2.822 -2.664 1.00 74.42 H new ATOM 0 HG22 THR A 95 -10.609 -2.843 -4.442 1.00 74.42 H new ATOM 0 HG23 THR A 95 -9.156 -2.445 -3.495 1.00 74.42 H new ATOM 1553 N THR A 96 -9.739 -1.375 -6.894 1.00 52.33 N ATOM 1554 CA THR A 96 -10.116 -1.992 -8.167 1.00 73.53 C ATOM 1555 C THR A 96 -9.613 -3.444 -8.198 1.00 1.52 C ATOM 1556 O THR A 96 -8.400 -3.691 -8.131 1.00 23.55 O ATOM 1557 CB THR A 96 -9.533 -1.183 -9.370 1.00 45.04 C ATOM 1558 OG1 THR A 96 -9.990 0.178 -9.296 1.00 75.44 O ATOM 1559 CG2 THR A 96 -9.940 -1.785 -10.732 1.00 54.22 C ATOM 0 H THR A 96 -8.756 -1.507 -6.654 1.00 52.33 H new ATOM 0 HA THR A 96 -11.202 -1.986 -8.257 1.00 73.53 H new ATOM 0 HB THR A 96 -8.446 -1.227 -9.301 1.00 45.04 H new ATOM 0 HG1 THR A 96 -9.624 0.687 -10.049 1.00 75.44 H new ATOM 0 HG21 THR A 96 -9.511 -1.188 -11.537 1.00 54.22 H new ATOM 0 HG22 THR A 96 -9.571 -2.808 -10.803 1.00 54.22 H new ATOM 0 HG23 THR A 96 -11.026 -1.785 -10.820 1.00 54.22 H new ATOM 1567 N THR A 97 -10.557 -4.394 -8.252 1.00 73.33 N ATOM 1568 CA THR A 97 -10.259 -5.815 -8.424 1.00 54.20 C ATOM 1569 C THR A 97 -10.348 -6.157 -9.928 1.00 42.43 C ATOM 1570 O THR A 97 -11.428 -6.199 -10.532 1.00 11.24 O ATOM 1571 CB THR A 97 -11.207 -6.706 -7.540 1.00 13.43 C ATOM 1572 OG1 THR A 97 -10.945 -8.105 -7.756 1.00 73.40 O ATOM 1573 CG2 THR A 97 -12.698 -6.417 -7.768 1.00 15.13 C ATOM 0 H THR A 97 -11.554 -4.192 -8.177 1.00 73.33 H new ATOM 0 HA THR A 97 -9.247 -6.030 -8.080 1.00 54.20 H new ATOM 0 HB THR A 97 -10.983 -6.445 -6.506 1.00 13.43 H new ATOM 0 HG1 THR A 97 -11.769 -8.617 -7.617 1.00 73.40 H new ATOM 0 HG21 THR A 97 -13.296 -7.065 -7.128 1.00 15.13 H new ATOM 0 HG22 THR A 97 -12.908 -5.375 -7.527 1.00 15.13 H new ATOM 0 HG23 THR A 97 -12.950 -6.605 -8.812 1.00 15.13 H new ATOM 1581 N ASP A 98 -9.180 -6.330 -10.535 1.00 32.24 N ATOM 1582 CA ASP A 98 -9.028 -6.624 -11.970 1.00 45.34 C ATOM 1583 C ASP A 98 -8.712 -8.126 -12.153 1.00 53.43 C ATOM 1584 O ASP A 98 -8.499 -8.830 -11.157 1.00 53.04 O ATOM 1585 CB ASP A 98 -7.907 -5.710 -12.539 1.00 62.14 C ATOM 1586 CG ASP A 98 -7.692 -5.851 -14.054 1.00 21.33 C ATOM 1587 OD1 ASP A 98 -8.552 -5.386 -14.833 1.00 62.30 O ATOM 1588 OD2 ASP A 98 -6.666 -6.430 -14.474 1.00 60.11 O ATOM 0 H ASP A 98 -8.290 -6.270 -10.041 1.00 32.24 H new ATOM 0 HA ASP A 98 -9.948 -6.418 -12.518 1.00 45.34 H new ATOM 0 HB2 ASP A 98 -8.149 -4.672 -12.312 1.00 62.14 H new ATOM 0 HB3 ASP A 98 -6.972 -5.938 -12.027 1.00 62.14 H new ATOM 1593 N GLY A 99 -8.711 -8.609 -13.415 1.00 63.32 N ATOM 1594 CA GLY A 99 -8.417 -10.010 -13.744 1.00 32.41 C ATOM 1595 C GLY A 99 -7.064 -10.485 -13.221 1.00 44.40 C ATOM 1596 O GLY A 99 -6.033 -10.272 -13.871 1.00 13.40 O ATOM 0 H GLY A 99 -8.915 -8.032 -14.231 1.00 63.32 H new ATOM 0 HA2 GLY A 99 -9.201 -10.645 -13.331 1.00 32.41 H new ATOM 0 HA3 GLY A 99 -8.444 -10.134 -14.827 1.00 32.41 H new ATOM 1600 N ASP A 100 -7.095 -11.064 -12.000 1.00 20.53 N ATOM 1601 CA ASP A 100 -5.926 -11.626 -11.278 1.00 74.02 C ATOM 1602 C ASP A 100 -4.910 -10.556 -10.827 1.00 11.22 C ATOM 1603 O ASP A 100 -3.847 -10.888 -10.288 1.00 3.51 O ATOM 1604 CB ASP A 100 -5.241 -12.768 -12.077 1.00 4.34 C ATOM 1605 CG ASP A 100 -6.154 -13.999 -12.213 1.00 40.15 C ATOM 1606 OD1 ASP A 100 -6.188 -14.837 -11.286 1.00 61.33 O ATOM 1607 OD2 ASP A 100 -6.876 -14.112 -13.224 1.00 41.22 O ATOM 0 H ASP A 100 -7.962 -11.157 -11.471 1.00 20.53 H new ATOM 0 HA ASP A 100 -6.329 -12.061 -10.363 1.00 74.02 H new ATOM 0 HB2 ASP A 100 -4.970 -12.406 -13.069 1.00 4.34 H new ATOM 0 HB3 ASP A 100 -4.315 -13.056 -11.578 1.00 4.34 H new ATOM 1612 N THR A 101 -5.255 -9.280 -11.022 1.00 64.43 N ATOM 1613 CA THR A 101 -4.482 -8.138 -10.529 1.00 43.34 C ATOM 1614 C THR A 101 -5.394 -7.313 -9.611 1.00 22.41 C ATOM 1615 O THR A 101 -6.594 -7.228 -9.836 1.00 1.24 O ATOM 1616 CB THR A 101 -3.935 -7.272 -11.713 1.00 24.23 C ATOM 1617 OG1 THR A 101 -3.208 -8.120 -12.625 1.00 60.24 O ATOM 1618 CG2 THR A 101 -3.003 -6.138 -11.224 1.00 10.32 C ATOM 0 H THR A 101 -6.093 -9.008 -11.535 1.00 64.43 H new ATOM 0 HA THR A 101 -3.613 -8.488 -9.972 1.00 43.34 H new ATOM 0 HB THR A 101 -4.789 -6.811 -12.209 1.00 24.23 H new ATOM 0 HG1 THR A 101 -2.865 -7.582 -13.369 1.00 60.24 H new ATOM 0 HG21 THR A 101 -2.648 -5.564 -12.080 1.00 10.32 H new ATOM 0 HG22 THR A 101 -3.552 -5.481 -10.549 1.00 10.32 H new ATOM 0 HG23 THR A 101 -2.151 -6.569 -10.698 1.00 10.32 H new ATOM 1626 N PHE A 102 -4.823 -6.725 -8.575 1.00 4.31 N ATOM 1627 CA PHE A 102 -5.560 -5.999 -7.546 1.00 41.53 C ATOM 1628 C PHE A 102 -4.807 -4.698 -7.283 1.00 32.24 C ATOM 1629 O PHE A 102 -3.710 -4.714 -6.714 1.00 73.25 O ATOM 1630 CB PHE A 102 -5.665 -6.893 -6.278 1.00 51.21 C ATOM 1631 CG PHE A 102 -6.598 -6.372 -5.195 1.00 44.52 C ATOM 1632 CD1 PHE A 102 -7.974 -6.303 -5.428 1.00 55.21 C ATOM 1633 CD2 PHE A 102 -6.113 -5.961 -3.952 1.00 50.52 C ATOM 1634 CE1 PHE A 102 -8.830 -5.847 -4.447 1.00 62.01 C ATOM 1635 CE2 PHE A 102 -6.971 -5.507 -2.971 1.00 3.32 C ATOM 1636 CZ PHE A 102 -8.330 -5.447 -3.221 1.00 30.02 C ATOM 0 H PHE A 102 -3.815 -6.737 -8.419 1.00 4.31 H new ATOM 0 HA PHE A 102 -6.577 -5.759 -7.855 1.00 41.53 H new ATOM 0 HB2 PHE A 102 -6.002 -7.885 -6.579 1.00 51.21 H new ATOM 0 HB3 PHE A 102 -4.669 -7.010 -5.852 1.00 51.21 H new ATOM 0 HD1 PHE A 102 -8.371 -6.609 -6.385 1.00 55.21 H new ATOM 0 HD2 PHE A 102 -5.052 -5.999 -3.755 1.00 50.52 H new ATOM 0 HE1 PHE A 102 -9.892 -5.802 -4.637 1.00 62.01 H new ATOM 0 HE2 PHE A 102 -6.583 -5.200 -2.011 1.00 3.32 H new ATOM 0 HZ PHE A 102 -9.003 -5.087 -2.457 1.00 30.02 H new ATOM 1646 N GLU A 103 -5.376 -3.581 -7.753 1.00 43.24 N ATOM 1647 CA GLU A 103 -4.752 -2.260 -7.665 1.00 75.51 C ATOM 1648 C GLU A 103 -5.624 -1.332 -6.816 1.00 41.30 C ATOM 1649 O GLU A 103 -6.792 -1.086 -7.141 1.00 74.44 O ATOM 1650 CB GLU A 103 -4.521 -1.652 -9.073 1.00 72.33 C ATOM 1651 CG GLU A 103 -3.787 -0.290 -9.056 1.00 1.51 C ATOM 1652 CD GLU A 103 -3.577 0.294 -10.455 1.00 0.30 C ATOM 1653 OE1 GLU A 103 -4.496 0.968 -10.967 1.00 33.52 O ATOM 1654 OE2 GLU A 103 -2.503 0.073 -11.060 1.00 34.40 O ATOM 0 H GLU A 103 -6.289 -3.571 -8.208 1.00 43.24 H new ATOM 0 HA GLU A 103 -3.777 -2.370 -7.190 1.00 75.51 H new ATOM 0 HB2 GLU A 103 -3.944 -2.357 -9.672 1.00 72.33 H new ATOM 0 HB3 GLU A 103 -5.485 -1.528 -9.567 1.00 72.33 H new ATOM 0 HG2 GLU A 103 -4.359 0.417 -8.455 1.00 1.51 H new ATOM 0 HG3 GLU A 103 -2.819 -0.411 -8.570 1.00 1.51 H new ATOM 1661 N VAL A 104 -5.054 -0.852 -5.709 1.00 0.03 N ATOM 1662 CA VAL A 104 -5.674 0.149 -4.848 1.00 4.04 C ATOM 1663 C VAL A 104 -4.855 1.439 -5.001 1.00 55.32 C ATOM 1664 O VAL A 104 -3.746 1.541 -4.482 1.00 74.41 O ATOM 1665 CB VAL A 104 -5.696 -0.350 -3.350 1.00 53.54 C ATOM 1666 CG1 VAL A 104 -6.345 0.687 -2.408 1.00 14.04 C ATOM 1667 CG2 VAL A 104 -6.409 -1.720 -3.241 1.00 10.51 C ATOM 0 H VAL A 104 -4.136 -1.154 -5.383 1.00 0.03 H new ATOM 0 HA VAL A 104 -6.711 0.327 -5.132 1.00 4.04 H new ATOM 0 HB VAL A 104 -4.661 -0.473 -3.030 1.00 53.54 H new ATOM 0 HG11 VAL A 104 -6.340 0.305 -1.387 1.00 14.04 H new ATOM 0 HG12 VAL A 104 -5.781 1.619 -2.449 1.00 14.04 H new ATOM 0 HG13 VAL A 104 -7.373 0.871 -2.722 1.00 14.04 H new ATOM 0 HG21 VAL A 104 -6.413 -2.046 -2.201 1.00 10.51 H new ATOM 0 HG22 VAL A 104 -7.435 -1.625 -3.596 1.00 10.51 H new ATOM 0 HG23 VAL A 104 -5.881 -2.454 -3.849 1.00 10.51 H new ATOM 1677 N GLU A 105 -5.397 2.423 -5.723 1.00 53.40 N ATOM 1678 CA GLU A 105 -4.676 3.663 -6.027 1.00 42.44 C ATOM 1679 C GLU A 105 -5.063 4.727 -4.995 1.00 2.25 C ATOM 1680 O GLU A 105 -6.235 5.099 -4.872 1.00 33.31 O ATOM 1681 CB GLU A 105 -4.976 4.137 -7.469 1.00 52.45 C ATOM 1682 CG GLU A 105 -4.151 5.367 -7.906 1.00 35.51 C ATOM 1683 CD GLU A 105 -4.455 5.824 -9.336 1.00 50.20 C ATOM 1684 OE1 GLU A 105 -5.405 6.612 -9.526 1.00 4.14 O ATOM 1685 OE2 GLU A 105 -3.749 5.403 -10.277 1.00 11.51 O ATOM 0 H GLU A 105 -6.340 2.385 -6.111 1.00 53.40 H new ATOM 0 HA GLU A 105 -3.602 3.485 -5.969 1.00 42.44 H new ATOM 0 HB2 GLU A 105 -4.780 3.316 -8.159 1.00 52.45 H new ATOM 0 HB3 GLU A 105 -6.037 4.375 -7.550 1.00 52.45 H new ATOM 0 HG2 GLU A 105 -4.348 6.190 -7.219 1.00 35.51 H new ATOM 0 HG3 GLU A 105 -3.090 5.131 -7.825 1.00 35.51 H new ATOM 1692 N VAL A 106 -4.063 5.210 -4.264 1.00 13.40 N ATOM 1693 CA VAL A 106 -4.242 6.114 -3.135 1.00 0.12 C ATOM 1694 C VAL A 106 -4.041 7.551 -3.626 1.00 55.02 C ATOM 1695 O VAL A 106 -2.918 7.953 -3.948 1.00 30.12 O ATOM 1696 CB VAL A 106 -3.205 5.773 -1.987 1.00 72.22 C ATOM 1697 CG1 VAL A 106 -3.608 6.440 -0.656 1.00 23.34 C ATOM 1698 CG2 VAL A 106 -3.027 4.242 -1.822 1.00 61.32 C ATOM 0 H VAL A 106 -3.086 4.979 -4.444 1.00 13.40 H new ATOM 0 HA VAL A 106 -5.246 6.001 -2.726 1.00 0.12 H new ATOM 0 HB VAL A 106 -2.239 6.183 -2.282 1.00 72.22 H new ATOM 0 HG11 VAL A 106 -2.878 6.188 0.113 1.00 23.34 H new ATOM 0 HG12 VAL A 106 -3.639 7.522 -0.786 1.00 23.34 H new ATOM 0 HG13 VAL A 106 -4.592 6.082 -0.353 1.00 23.34 H new ATOM 0 HG21 VAL A 106 -2.309 4.043 -1.026 1.00 61.32 H new ATOM 0 HG22 VAL A 106 -3.985 3.790 -1.567 1.00 61.32 H new ATOM 0 HG23 VAL A 106 -2.661 3.815 -2.756 1.00 61.32 H new ATOM 1708 N ILE A 107 -5.148 8.306 -3.728 1.00 10.11 N ATOM 1709 CA ILE A 107 -5.117 9.710 -4.151 1.00 61.11 C ATOM 1710 C ILE A 107 -5.242 10.591 -2.909 1.00 65.45 C ATOM 1711 O ILE A 107 -6.336 10.786 -2.366 1.00 21.11 O ATOM 1712 CB ILE A 107 -6.256 10.037 -5.191 1.00 32.20 C ATOM 1713 CG1 ILE A 107 -6.130 9.115 -6.441 1.00 44.21 C ATOM 1714 CG2 ILE A 107 -6.242 11.533 -5.603 1.00 3.21 C ATOM 1715 CD1 ILE A 107 -4.820 9.245 -7.205 1.00 42.31 C ATOM 0 H ILE A 107 -6.084 7.959 -3.520 1.00 10.11 H new ATOM 0 HA ILE A 107 -4.172 9.908 -4.657 1.00 61.11 H new ATOM 0 HB ILE A 107 -7.214 9.842 -4.710 1.00 32.20 H new ATOM 0 HG12 ILE A 107 -6.247 8.079 -6.123 1.00 44.21 H new ATOM 0 HG13 ILE A 107 -6.953 9.335 -7.121 1.00 44.21 H new ATOM 0 HG21 ILE A 107 -7.041 11.720 -6.321 1.00 3.21 H new ATOM 0 HG22 ILE A 107 -6.394 12.155 -4.721 1.00 3.21 H new ATOM 0 HG23 ILE A 107 -5.282 11.776 -6.058 1.00 3.21 H new ATOM 0 HD11 ILE A 107 -4.826 8.565 -8.057 1.00 42.31 H new ATOM 0 HD12 ILE A 107 -4.706 10.269 -7.560 1.00 42.31 H new ATOM 0 HD13 ILE A 107 -3.988 8.994 -6.547 1.00 42.31 H new ATOM 1727 N LEU A 108 -4.088 11.052 -2.438 1.00 74.11 N ATOM 1728 CA LEU A 108 -3.984 11.980 -1.319 1.00 42.41 C ATOM 1729 C LEU A 108 -4.141 13.431 -1.829 1.00 1.25 C ATOM 1730 O LEU A 108 -3.214 14.001 -2.418 1.00 11.54 O ATOM 1731 CB LEU A 108 -2.607 11.775 -0.621 1.00 72.12 C ATOM 1732 CG LEU A 108 -2.264 10.313 -0.196 1.00 34.44 C ATOM 1733 CD1 LEU A 108 -0.862 10.222 0.435 1.00 4.43 C ATOM 1734 CD2 LEU A 108 -3.341 9.744 0.744 1.00 13.32 C ATOM 0 H LEU A 108 -3.184 10.787 -2.830 1.00 74.11 H new ATOM 0 HA LEU A 108 -4.777 11.790 -0.595 1.00 42.41 H new ATOM 0 HB2 LEU A 108 -1.825 12.129 -1.293 1.00 72.12 H new ATOM 0 HB3 LEU A 108 -2.575 12.407 0.267 1.00 72.12 H new ATOM 0 HG LEU A 108 -2.253 9.701 -1.098 1.00 34.44 H new ATOM 0 HD11 LEU A 108 -0.657 9.190 0.719 1.00 4.43 H new ATOM 0 HD12 LEU A 108 -0.116 10.555 -0.287 1.00 4.43 H new ATOM 0 HD13 LEU A 108 -0.819 10.857 1.320 1.00 4.43 H new ATOM 0 HD21 LEU A 108 -3.077 8.724 1.025 1.00 13.32 H new ATOM 0 HD22 LEU A 108 -3.405 10.362 1.640 1.00 13.32 H new ATOM 0 HD23 LEU A 108 -4.305 9.742 0.234 1.00 13.32 H new ATOM 1746 N GLU A 109 -5.333 14.007 -1.619 1.00 62.53 N ATOM 1747 CA GLU A 109 -5.632 15.404 -1.980 1.00 10.21 C ATOM 1748 C GLU A 109 -5.358 16.328 -0.782 1.00 65.32 C ATOM 1749 O GLU A 109 -6.186 16.449 0.127 1.00 41.20 O ATOM 1750 CB GLU A 109 -7.101 15.530 -2.460 1.00 3.20 C ATOM 1751 CG GLU A 109 -7.399 14.847 -3.811 1.00 70.33 C ATOM 1752 CD GLU A 109 -6.670 15.500 -5.004 1.00 33.15 C ATOM 1753 OE1 GLU A 109 -7.179 16.508 -5.541 1.00 10.14 O ATOM 1754 OE2 GLU A 109 -5.592 15.012 -5.412 1.00 12.02 O ATOM 0 H GLU A 109 -6.120 13.518 -1.193 1.00 62.53 H new ATOM 0 HA GLU A 109 -4.982 15.709 -2.800 1.00 10.21 H new ATOM 0 HB2 GLU A 109 -7.755 15.102 -1.700 1.00 3.20 H new ATOM 0 HB3 GLU A 109 -7.353 16.587 -2.539 1.00 3.20 H new ATOM 0 HG2 GLU A 109 -7.111 13.797 -3.750 1.00 70.33 H new ATOM 0 HG3 GLU A 109 -8.473 14.873 -3.993 1.00 70.33 H new ATOM 1761 N LEU A 110 -4.152 16.916 -0.752 1.00 45.13 N ATOM 1762 CA LEU A 110 -3.759 17.934 0.254 1.00 64.13 C ATOM 1763 C LEU A 110 -3.624 19.318 -0.408 1.00 23.32 C ATOM 1764 O LEU A 110 -3.391 20.319 0.285 1.00 33.40 O ATOM 1765 CB LEU A 110 -2.427 17.554 0.976 1.00 25.53 C ATOM 1766 CG LEU A 110 -2.445 16.272 1.880 1.00 72.25 C ATOM 1767 CD1 LEU A 110 -2.509 14.980 1.053 1.00 14.13 C ATOM 1768 CD2 LEU A 110 -1.242 16.251 2.835 1.00 54.44 C ATOM 0 H LEU A 110 -3.415 16.703 -1.424 1.00 45.13 H new ATOM 0 HA LEU A 110 -4.547 17.970 1.007 1.00 64.13 H new ATOM 0 HB2 LEU A 110 -1.656 17.422 0.217 1.00 25.53 H new ATOM 0 HB3 LEU A 110 -2.124 18.399 1.594 1.00 25.53 H new ATOM 0 HG LEU A 110 -3.356 16.318 2.477 1.00 72.25 H new ATOM 0 HD11 LEU A 110 -2.519 14.120 1.722 1.00 14.13 H new ATOM 0 HD12 LEU A 110 -3.416 14.980 0.448 1.00 14.13 H new ATOM 0 HD13 LEU A 110 -1.637 14.922 0.401 1.00 14.13 H new ATOM 0 HD21 LEU A 110 -1.281 15.351 3.449 1.00 54.44 H new ATOM 0 HD22 LEU A 110 -0.318 16.256 2.257 1.00 54.44 H new ATOM 0 HD23 LEU A 110 -1.272 17.131 3.478 1.00 54.44 H new ATOM 1780 N GLU A 111 -3.769 19.362 -1.749 1.00 32.42 N ATOM 1781 CA GLU A 111 -3.674 20.602 -2.535 1.00 44.01 C ATOM 1782 C GLU A 111 -4.904 21.494 -2.301 1.00 0.25 C ATOM 1783 O GLU A 111 -5.860 21.474 -3.079 1.00 3.54 O ATOM 1784 CB GLU A 111 -3.494 20.263 -4.040 1.00 71.22 C ATOM 1785 CG GLU A 111 -2.154 19.585 -4.393 1.00 42.43 C ATOM 1786 CD GLU A 111 -0.928 20.520 -4.272 1.00 23.31 C ATOM 1787 OE1 GLU A 111 -0.449 20.761 -3.140 1.00 2.43 O ATOM 1788 OE2 GLU A 111 -0.431 21.012 -5.307 1.00 64.54 O ATOM 0 H GLU A 111 -3.956 18.534 -2.315 1.00 32.42 H new ATOM 0 HA GLU A 111 -2.800 21.163 -2.205 1.00 44.01 H new ATOM 0 HB2 GLU A 111 -4.309 19.610 -4.351 1.00 71.22 H new ATOM 0 HB3 GLU A 111 -3.584 21.182 -4.619 1.00 71.22 H new ATOM 0 HG2 GLU A 111 -2.009 18.726 -3.738 1.00 42.43 H new ATOM 0 HG3 GLU A 111 -2.209 19.203 -5.413 1.00 42.43 H new ATOM 1795 N HIS A 112 -4.869 22.252 -1.194 1.00 20.44 N ATOM 1796 CA HIS A 112 -5.942 23.189 -0.808 1.00 64.43 C ATOM 1797 C HIS A 112 -5.332 24.521 -0.315 1.00 62.14 C ATOM 1798 O HIS A 112 -6.063 25.445 0.059 1.00 73.11 O ATOM 1799 CB HIS A 112 -6.856 22.535 0.270 1.00 32.14 C ATOM 1800 CG HIS A 112 -8.160 23.262 0.499 1.00 32.04 C ATOM 1801 ND1 HIS A 112 -9.231 23.157 -0.363 1.00 11.54 N ATOM 1802 CD2 HIS A 112 -8.561 24.107 1.483 1.00 73.23 C ATOM 1803 CE1 HIS A 112 -10.223 23.902 0.077 1.00 11.35 C ATOM 1804 NE2 HIS A 112 -9.846 24.486 1.190 1.00 14.33 N ATOM 0 H HIS A 112 -4.091 22.234 -0.535 1.00 20.44 H new ATOM 0 HA HIS A 112 -6.562 23.413 -1.676 1.00 64.43 H new ATOM 0 HB2 HIS A 112 -7.072 21.509 -0.027 1.00 32.14 H new ATOM 0 HB3 HIS A 112 -6.310 22.486 1.212 1.00 32.14 H new ATOM 0 HD2 HIS A 112 -7.978 24.422 2.336 1.00 73.23 H new ATOM 0 HE1 HIS A 112 -11.186 24.014 -0.399 1.00 11.35 H new ATOM 0 HE2 HIS A 112 -10.417 25.120 1.748 1.00 14.33 H new ATOM 1813 N HIS A 113 -3.979 24.623 -0.350 1.00 21.31 N ATOM 1814 CA HIS A 113 -3.251 25.867 -0.014 1.00 65.22 C ATOM 1815 C HIS A 113 -3.290 26.818 -1.235 1.00 12.11 C ATOM 1816 O HIS A 113 -2.282 27.050 -1.914 1.00 75.10 O ATOM 1817 CB HIS A 113 -1.798 25.546 0.440 1.00 3.44 C ATOM 1818 CG HIS A 113 -1.004 26.750 0.906 1.00 22.35 C ATOM 1819 ND1 HIS A 113 0.076 27.264 0.211 1.00 2.44 N ATOM 1820 CD2 HIS A 113 -1.138 27.536 2.005 1.00 14.35 C ATOM 1821 CE1 HIS A 113 0.565 28.301 0.862 1.00 42.42 C ATOM 1822 NE2 HIS A 113 -0.151 28.486 1.948 1.00 21.04 N ATOM 0 H HIS A 113 -3.368 23.849 -0.611 1.00 21.31 H new ATOM 0 HA HIS A 113 -3.734 26.368 0.825 1.00 65.22 H new ATOM 0 HB2 HIS A 113 -1.837 24.817 1.249 1.00 3.44 H new ATOM 0 HB3 HIS A 113 -1.268 25.075 -0.388 1.00 3.44 H new ATOM 0 HD2 HIS A 113 -1.883 27.432 2.780 1.00 14.35 H new ATOM 0 HE1 HIS A 113 1.411 28.898 0.555 1.00 42.42 H new ATOM 0 HE2 HIS A 113 0.003 29.220 2.639 1.00 21.04 H new ATOM 1831 N HIS A 114 -4.510 27.307 -1.500 1.00 72.12 N ATOM 1832 CA HIS A 114 -4.893 28.145 -2.656 1.00 20.22 C ATOM 1833 C HIS A 114 -6.426 28.306 -2.612 1.00 14.45 C ATOM 1834 O HIS A 114 -7.099 27.500 -1.955 1.00 22.02 O ATOM 1835 CB HIS A 114 -4.462 27.529 -4.030 1.00 14.44 C ATOM 1836 CG HIS A 114 -5.107 26.201 -4.373 1.00 14.32 C ATOM 1837 ND1 HIS A 114 -6.183 26.082 -5.229 1.00 53.32 N ATOM 1838 CD2 HIS A 114 -4.803 24.936 -3.990 1.00 1.25 C ATOM 1839 CE1 HIS A 114 -6.506 24.811 -5.352 1.00 32.14 C ATOM 1840 NE2 HIS A 114 -5.681 24.092 -4.619 1.00 73.53 N ATOM 0 H HIS A 114 -5.301 27.121 -0.884 1.00 72.12 H new ATOM 0 HA HIS A 114 -4.378 29.103 -2.581 1.00 20.22 H new ATOM 0 HB2 HIS A 114 -4.696 28.243 -4.820 1.00 14.44 H new ATOM 0 HB3 HIS A 114 -3.380 27.399 -4.028 1.00 14.44 H new ATOM 0 HD2 HIS A 114 -4.013 24.646 -3.313 1.00 1.25 H new ATOM 0 HE1 HIS A 114 -7.314 24.423 -5.954 1.00 32.14 H new ATOM 0 HE2 HIS A 114 -5.693 23.076 -4.534 1.00 73.53 H new ATOM 1849 N HIS A 115 -6.958 29.351 -3.289 1.00 72.44 N ATOM 1850 CA HIS A 115 -8.426 29.626 -3.394 1.00 13.53 C ATOM 1851 C HIS A 115 -9.014 30.171 -2.057 1.00 20.53 C ATOM 1852 O HIS A 115 -10.220 30.438 -1.954 1.00 34.10 O ATOM 1853 CB HIS A 115 -9.167 28.350 -3.918 1.00 30.11 C ATOM 1854 CG HIS A 115 -10.670 28.430 -4.055 1.00 33.34 C ATOM 1855 ND1 HIS A 115 -11.305 28.979 -5.146 1.00 2.04 N ATOM 1856 CD2 HIS A 115 -11.661 27.992 -3.234 1.00 43.54 C ATOM 1857 CE1 HIS A 115 -12.610 28.880 -4.989 1.00 22.34 C ATOM 1858 NE2 HIS A 115 -12.850 28.287 -3.840 1.00 1.44 N ATOM 0 H HIS A 115 -6.385 30.035 -3.783 1.00 72.44 H new ATOM 0 HA HIS A 115 -8.586 30.422 -4.121 1.00 13.53 H new ATOM 0 HB2 HIS A 115 -8.752 28.095 -4.893 1.00 30.11 H new ATOM 0 HB3 HIS A 115 -8.933 27.524 -3.247 1.00 30.11 H new ATOM 0 HD2 HIS A 115 -11.533 27.502 -2.280 1.00 43.54 H new ATOM 0 HE1 HIS A 115 -13.357 29.228 -5.687 1.00 22.34 H new ATOM 0 HE2 HIS A 115 -13.775 28.080 -3.462 1.00 1.44 H new ATOM 1867 N HIS A 116 -8.132 30.387 -1.060 1.00 40.44 N ATOM 1868 CA HIS A 116 -8.494 30.940 0.267 1.00 54.41 C ATOM 1869 C HIS A 116 -9.088 32.351 0.114 1.00 41.11 C ATOM 1870 O HIS A 116 -10.024 32.728 0.832 1.00 41.43 O ATOM 1871 CB HIS A 116 -7.234 30.964 1.173 1.00 54.44 C ATOM 1872 CG HIS A 116 -7.434 31.480 2.587 1.00 21.42 C ATOM 1873 ND1 HIS A 116 -7.556 30.649 3.685 1.00 64.13 N ATOM 1874 CD2 HIS A 116 -7.492 32.746 3.081 1.00 43.42 C ATOM 1875 CE1 HIS A 116 -7.685 31.379 4.777 1.00 23.43 C ATOM 1876 NE2 HIS A 116 -7.649 32.647 4.437 1.00 71.10 N ATOM 0 H HIS A 116 -7.137 30.181 -1.152 1.00 40.44 H new ATOM 0 HA HIS A 116 -9.251 30.308 0.731 1.00 54.41 H new ATOM 0 HB2 HIS A 116 -6.835 29.951 1.231 1.00 54.44 H new ATOM 0 HB3 HIS A 116 -6.475 31.578 0.688 1.00 54.44 H new ATOM 0 HD2 HIS A 116 -7.426 33.660 2.509 1.00 43.42 H new ATOM 0 HE1 HIS A 116 -7.801 30.998 5.781 1.00 23.43 H new ATOM 0 HE2 HIS A 116 -7.726 33.434 5.082 1.00 71.10 H new ATOM 1885 N HIS A 117 -8.504 33.122 -0.820 1.00 64.24 N ATOM 1886 CA HIS A 117 -9.041 34.427 -1.232 1.00 74.11 C ATOM 1887 C HIS A 117 -10.151 34.196 -2.290 1.00 51.41 C ATOM 1888 O HIS A 117 -11.342 34.336 -1.958 1.00 12.12 O ATOM 1889 CB HIS A 117 -7.907 35.347 -1.779 1.00 63.21 C ATOM 1890 CG HIS A 117 -8.375 36.730 -2.188 1.00 13.43 C ATOM 1891 ND1 HIS A 117 -8.556 37.756 -1.287 1.00 45.00 N ATOM 1892 CD2 HIS A 117 -8.686 37.252 -3.405 1.00 21.41 C ATOM 1893 CE1 HIS A 117 -8.963 38.836 -1.922 1.00 42.43 C ATOM 1894 NE2 HIS A 117 -9.050 38.560 -3.207 1.00 30.43 N ATOM 1895 OXT HIS A 117 -9.826 33.825 -3.435 1.00 37.80 O ATOM 0 H HIS A 117 -7.649 32.857 -1.308 1.00 64.24 H new ATOM 0 HA HIS A 117 -9.472 34.938 -0.371 1.00 74.11 H new ATOM 0 HB2 HIS A 117 -7.135 35.447 -1.016 1.00 63.21 H new ATOM 0 HB3 HIS A 117 -7.444 34.863 -2.639 1.00 63.21 H new ATOM 0 HD2 HIS A 117 -8.653 36.733 -4.352 1.00 21.41 H new ATOM 0 HE1 HIS A 117 -9.188 39.789 -1.465 1.00 42.43 H new ATOM 0 HE2 HIS A 117 -9.340 39.212 -3.936 1.00 30.43 H new TER 1904 HIS A 117