USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=28 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= 1.22 K(o=0.28,f=-0.35) USER MOD Set 1.2: A 92 GLN : amide:sc= -0.696 X(o=0.28,f=0.4) USER MOD Set 1.3: A 93 SER OG : rot 33:sc= -0.238 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00938 (180deg=-0.179) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= -0.0345 (180deg=-0.213) USER MOD Single : A 11 LYS NZ :NH3+ 138:sc= 0.137 (180deg=-0.125) USER MOD Single : A 14 CYS SG : rot -80:sc= -0.1 USER MOD Single : A 16 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.016) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00915 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.0245 USER MOD Single : A 26 TYR OH : rot 130:sc= 0.564 USER MOD Single : A 28 SER OG : rot -125:sc= 0.227 USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= -0.0083 (180deg=-0.116) USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0931) USER MOD Single : A 38 LYS NZ :NH3+ 169:sc= 0.456 (180deg=0.233) USER MOD Single : A 39 LYS NZ :NH3+ 178:sc= 0.0887 (180deg=0.0549) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= -0.024 (180deg=-0.35) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= 0.0118 (180deg=-0.972) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 53 CYS SG : rot 43:sc= -1.63 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0.105 (180deg=0.0916) USER MOD Single : A 57 LYS NZ :NH3+ -135:sc= -0.0151 (180deg=-1.68) USER MOD Single : A 62 LYS NZ :NH3+ 157:sc= 0.581 (180deg=-1.19!) USER MOD Single : A 63 LYS NZ :NH3+ -104:sc= -1.51 (180deg=-3.64!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -132:sc= -0.0498 (180deg=-0.569) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.682 K(o=-0.68,f=-0.018) USER MOD Single : A 91 LYS NZ :NH3+ -153:sc= 1.2 (180deg=0.381) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 33:sc= 0.45 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -85:sc= 0.229 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 113 HIS : no HD1:sc= -0.842 K(o=-0.84,f=0.23) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 115 HIS : no HD1:sc= 0.00118 X(o=0.0012,f=-0.17) 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=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.984 -27.459 -9.326 1.00 63.53 N ATOM 2 CA MET A 1 -1.548 -26.099 -9.529 1.00 34.23 C ATOM 3 C MET A 1 -0.425 -25.049 -9.487 1.00 11.53 C ATOM 4 O MET A 1 -0.426 -24.112 -10.291 1.00 74.12 O ATOM 5 CB MET A 1 -2.633 -25.775 -8.455 1.00 12.53 C ATOM 6 CG MET A 1 -3.296 -24.389 -8.614 1.00 44.40 C ATOM 7 SD MET A 1 -4.564 -24.051 -7.370 1.00 73.52 S ATOM 8 CE MET A 1 -5.107 -22.401 -7.843 1.00 5.40 C ATOM 0 H1 MET A 1 -1.706 -28.172 -9.556 1.00 63.53 H new ATOM 0 H2 MET A 1 -0.159 -27.589 -9.946 1.00 63.53 H new ATOM 0 H3 MET A 1 -0.692 -27.569 -8.334 1.00 63.53 H new ATOM 0 HA MET A 1 -2.025 -26.071 -10.509 1.00 34.23 H new ATOM 0 HB2 MET A 1 -3.407 -26.541 -8.496 1.00 12.53 H new ATOM 0 HB3 MET A 1 -2.177 -25.835 -7.467 1.00 12.53 H new ATOM 0 HG2 MET A 1 -2.527 -23.618 -8.557 1.00 44.40 H new ATOM 0 HG3 MET A 1 -3.743 -24.320 -9.606 1.00 44.40 H new ATOM 0 HE1 MET A 1 -5.888 -22.066 -7.161 1.00 5.40 H new ATOM 0 HE2 MET A 1 -4.263 -21.713 -7.795 1.00 5.40 H new ATOM 0 HE3 MET A 1 -5.498 -22.424 -8.860 1.00 5.40 H new ATOM 20 N ALA A 2 0.524 -25.240 -8.544 1.00 74.45 N ATOM 21 CA ALA A 2 1.646 -24.316 -8.273 1.00 64.24 C ATOM 22 C ALA A 2 1.145 -22.985 -7.679 1.00 50.02 C ATOM 23 O ALA A 2 0.658 -22.107 -8.404 1.00 0.23 O ATOM 24 CB ALA A 2 2.532 -24.080 -9.516 1.00 64.13 C ATOM 0 H ALA A 2 0.531 -26.060 -7.937 1.00 74.45 H new ATOM 0 HA ALA A 2 2.277 -24.800 -7.528 1.00 64.24 H new ATOM 0 HB1 ALA A 2 3.340 -23.394 -9.262 1.00 64.13 H new ATOM 0 HB2 ALA A 2 2.952 -25.029 -9.849 1.00 64.13 H new ATOM 0 HB3 ALA A 2 1.929 -23.650 -10.316 1.00 64.13 H new ATOM 30 N GLY A 3 1.243 -22.870 -6.349 1.00 15.13 N ATOM 31 CA GLY A 3 0.910 -21.635 -5.629 1.00 10.14 C ATOM 32 C GLY A 3 2.167 -20.837 -5.294 1.00 24.12 C ATOM 33 O GLY A 3 3.042 -20.683 -6.156 1.00 41.41 O ATOM 0 H GLY A 3 1.555 -23.629 -5.743 1.00 15.13 H new ATOM 0 HA2 GLY A 3 0.240 -21.026 -6.236 1.00 10.14 H new ATOM 0 HA3 GLY A 3 0.375 -21.879 -4.711 1.00 10.14 H new ATOM 37 N LYS A 4 2.252 -20.334 -4.037 1.00 22.31 N ATOM 38 CA LYS A 4 3.430 -19.599 -3.496 1.00 23.23 C ATOM 39 C LYS A 4 3.736 -18.312 -4.306 1.00 61.10 C ATOM 40 O LYS A 4 2.953 -17.914 -5.175 1.00 60.21 O ATOM 41 CB LYS A 4 4.696 -20.526 -3.403 1.00 53.01 C ATOM 42 CG LYS A 4 4.643 -21.643 -2.324 1.00 12.35 C ATOM 43 CD LYS A 4 3.632 -22.775 -2.630 1.00 34.44 C ATOM 44 CE LYS A 4 3.494 -23.784 -1.480 1.00 62.03 C ATOM 45 NZ LYS A 4 3.026 -23.144 -0.220 1.00 40.31 N ATOM 0 H LYS A 4 1.496 -20.427 -3.359 1.00 22.31 H new ATOM 0 HA LYS A 4 3.170 -19.289 -2.484 1.00 23.23 H new ATOM 0 HB2 LYS A 4 4.852 -20.994 -4.375 1.00 53.01 H new ATOM 0 HB3 LYS A 4 5.567 -19.900 -3.208 1.00 53.01 H new ATOM 0 HG2 LYS A 4 5.637 -22.078 -2.218 1.00 12.35 H new ATOM 0 HG3 LYS A 4 4.388 -21.193 -1.364 1.00 12.35 H new ATOM 0 HD2 LYS A 4 2.657 -22.336 -2.840 1.00 34.44 H new ATOM 0 HD3 LYS A 4 3.946 -23.301 -3.532 1.00 34.44 H new ATOM 0 HE2 LYS A 4 2.793 -24.567 -1.769 1.00 62.03 H new ATOM 0 HE3 LYS A 4 4.456 -24.266 -1.305 1.00 62.03 H new ATOM 0 HZ1 LYS A 4 2.722 -23.879 0.450 1.00 40.31 H new ATOM 0 HZ2 LYS A 4 3.802 -22.593 0.199 1.00 40.31 H new ATOM 0 HZ3 LYS A 4 2.226 -22.513 -0.428 1.00 40.31 H new ATOM 59 N GLU A 5 4.847 -17.642 -3.924 1.00 72.22 N ATOM 60 CA GLU A 5 5.482 -16.556 -4.701 1.00 43.30 C ATOM 61 C GLU A 5 4.501 -15.381 -4.999 1.00 24.02 C ATOM 62 O GLU A 5 3.918 -15.296 -6.090 1.00 3.33 O ATOM 63 CB GLU A 5 6.113 -17.140 -6.009 1.00 3.53 C ATOM 64 CG GLU A 5 7.006 -16.155 -6.788 1.00 74.03 C ATOM 65 CD GLU A 5 7.526 -16.730 -8.115 1.00 31.11 C ATOM 66 OE1 GLU A 5 8.570 -17.417 -8.109 1.00 62.43 O ATOM 67 OE2 GLU A 5 6.892 -16.500 -9.173 1.00 22.12 O ATOM 0 H GLU A 5 5.335 -17.845 -3.052 1.00 72.22 H new ATOM 0 HA GLU A 5 6.278 -16.126 -4.092 1.00 43.30 H new ATOM 0 HB2 GLU A 5 6.704 -18.019 -5.750 1.00 3.53 H new ATOM 0 HB3 GLU A 5 5.310 -17.478 -6.664 1.00 3.53 H new ATOM 0 HG2 GLU A 5 6.442 -15.245 -6.990 1.00 74.03 H new ATOM 0 HG3 GLU A 5 7.854 -15.872 -6.165 1.00 74.03 H new ATOM 74 N LEU A 6 4.293 -14.509 -3.999 1.00 74.34 N ATOM 75 CA LEU A 6 3.372 -13.356 -4.105 1.00 33.01 C ATOM 76 C LEU A 6 4.186 -12.084 -4.387 1.00 63.13 C ATOM 77 O LEU A 6 4.813 -11.518 -3.485 1.00 54.35 O ATOM 78 CB LEU A 6 2.512 -13.201 -2.807 1.00 40.44 C ATOM 79 CG LEU A 6 1.441 -14.328 -2.538 1.00 0.44 C ATOM 80 CD1 LEU A 6 2.079 -15.666 -2.113 1.00 34.22 C ATOM 81 CD2 LEU A 6 0.384 -13.871 -1.507 1.00 1.41 C ATOM 0 H LEU A 6 4.756 -14.580 -3.093 1.00 74.34 H new ATOM 0 HA LEU A 6 2.679 -13.526 -4.929 1.00 33.01 H new ATOM 0 HB2 LEU A 6 3.187 -13.160 -1.952 1.00 40.44 H new ATOM 0 HB3 LEU A 6 1.996 -12.242 -2.851 1.00 40.44 H new ATOM 0 HG LEU A 6 0.938 -14.503 -3.489 1.00 0.44 H new ATOM 0 HD11 LEU A 6 1.296 -16.404 -1.941 1.00 34.22 H new ATOM 0 HD12 LEU A 6 2.744 -16.019 -2.902 1.00 34.22 H new ATOM 0 HD13 LEU A 6 2.649 -15.522 -1.195 1.00 34.22 H new ATOM 0 HD21 LEU A 6 -0.338 -14.672 -1.346 1.00 1.41 H new ATOM 0 HD22 LEU A 6 0.875 -13.631 -0.564 1.00 1.41 H new ATOM 0 HD23 LEU A 6 -0.132 -12.988 -1.883 1.00 1.41 H new ATOM 93 N ARG A 7 4.190 -11.673 -5.666 1.00 53.12 N ATOM 94 CA ARG A 7 4.898 -10.475 -6.151 1.00 23.21 C ATOM 95 C ARG A 7 4.016 -9.231 -6.007 1.00 35.34 C ATOM 96 O ARG A 7 2.818 -9.284 -6.280 1.00 63.22 O ATOM 97 CB ARG A 7 5.352 -10.654 -7.646 1.00 41.43 C ATOM 98 CG ARG A 7 6.825 -11.066 -7.819 1.00 3.23 C ATOM 99 CD ARG A 7 7.170 -12.437 -7.218 1.00 75.35 C ATOM 100 NE ARG A 7 8.624 -12.645 -7.184 1.00 61.11 N ATOM 101 CZ ARG A 7 9.344 -13.339 -8.069 1.00 32.01 C ATOM 102 NH1 ARG A 7 8.765 -13.930 -9.113 1.00 34.32 N ATOM 103 NH2 ARG A 7 10.649 -13.433 -7.892 1.00 20.43 N ATOM 0 H ARG A 7 3.693 -12.172 -6.404 1.00 53.12 H new ATOM 0 HA ARG A 7 5.790 -10.342 -5.538 1.00 23.21 H new ATOM 0 HB2 ARG A 7 4.719 -11.406 -8.117 1.00 41.43 H new ATOM 0 HB3 ARG A 7 5.185 -9.718 -8.178 1.00 41.43 H new ATOM 0 HG2 ARG A 7 7.065 -11.077 -8.882 1.00 3.23 H new ATOM 0 HG3 ARG A 7 7.459 -10.309 -7.357 1.00 3.23 H new ATOM 0 HD2 ARG A 7 6.765 -12.508 -6.209 1.00 75.35 H new ATOM 0 HD3 ARG A 7 6.700 -13.225 -7.806 1.00 75.35 H new ATOM 0 HE ARG A 7 9.133 -12.218 -6.410 1.00 61.11 H new ATOM 0 HH11 ARG A 7 7.756 -13.856 -9.246 1.00 34.32 H new ATOM 0 HH12 ARG A 7 9.330 -14.456 -9.779 1.00 34.32 H new ATOM 0 HH21 ARG A 7 11.089 -12.980 -7.091 1.00 20.43 H new ATOM 0 HH22 ARG A 7 11.217 -13.958 -8.556 1.00 20.43 H new ATOM 117 N VAL A 8 4.643 -8.112 -5.617 1.00 55.24 N ATOM 118 CA VAL A 8 3.975 -6.813 -5.423 1.00 75.14 C ATOM 119 C VAL A 8 4.651 -5.743 -6.293 1.00 55.54 C ATOM 120 O VAL A 8 5.877 -5.763 -6.495 1.00 61.20 O ATOM 121 CB VAL A 8 4.020 -6.345 -3.919 1.00 54.51 C ATOM 122 CG1 VAL A 8 3.263 -7.324 -3.002 1.00 43.34 C ATOM 123 CG2 VAL A 8 5.474 -6.160 -3.443 1.00 62.45 C ATOM 0 H VAL A 8 5.644 -8.081 -5.424 1.00 55.24 H new ATOM 0 HA VAL A 8 2.932 -6.940 -5.713 1.00 75.14 H new ATOM 0 HB VAL A 8 3.517 -5.380 -3.859 1.00 54.51 H new ATOM 0 HG11 VAL A 8 3.314 -6.971 -1.972 1.00 43.34 H new ATOM 0 HG12 VAL A 8 2.220 -7.383 -3.314 1.00 43.34 H new ATOM 0 HG13 VAL A 8 3.718 -8.312 -3.070 1.00 43.34 H new ATOM 0 HG21 VAL A 8 5.478 -5.837 -2.402 1.00 62.45 H new ATOM 0 HG22 VAL A 8 6.009 -7.106 -3.531 1.00 62.45 H new ATOM 0 HG23 VAL A 8 5.965 -5.407 -4.059 1.00 62.45 H new ATOM 133 N GLU A 9 3.845 -4.839 -6.842 1.00 3.21 N ATOM 134 CA GLU A 9 4.333 -3.590 -7.430 1.00 63.12 C ATOM 135 C GLU A 9 3.845 -2.433 -6.559 1.00 63.23 C ATOM 136 O GLU A 9 2.710 -1.970 -6.695 1.00 64.41 O ATOM 137 CB GLU A 9 3.850 -3.439 -8.896 1.00 71.31 C ATOM 138 CG GLU A 9 4.438 -4.480 -9.864 1.00 43.23 C ATOM 139 CD GLU A 9 3.909 -4.348 -11.301 1.00 10.35 C ATOM 140 OE1 GLU A 9 4.414 -3.490 -12.055 1.00 2.01 O ATOM 141 OE2 GLU A 9 2.994 -5.097 -11.689 1.00 74.15 O ATOM 0 H GLU A 9 2.832 -4.950 -6.893 1.00 3.21 H new ATOM 0 HA GLU A 9 5.423 -3.592 -7.460 1.00 63.12 H new ATOM 0 HB2 GLU A 9 2.763 -3.512 -8.918 1.00 71.31 H new ATOM 0 HB3 GLU A 9 4.109 -2.442 -9.251 1.00 71.31 H new ATOM 0 HG2 GLU A 9 5.524 -4.382 -9.874 1.00 43.23 H new ATOM 0 HG3 GLU A 9 4.211 -5.479 -9.492 1.00 43.23 H new ATOM 148 N ILE A 10 4.710 -1.989 -5.638 1.00 34.44 N ATOM 149 CA ILE A 10 4.438 -0.826 -4.782 1.00 62.31 C ATOM 150 C ILE A 10 5.023 0.400 -5.508 1.00 14.22 C ATOM 151 O ILE A 10 6.235 0.474 -5.701 1.00 31.21 O ATOM 152 CB ILE A 10 5.122 -0.984 -3.368 1.00 5.31 C ATOM 153 CG1 ILE A 10 4.744 -2.339 -2.682 1.00 23.20 C ATOM 154 CG2 ILE A 10 4.796 0.221 -2.448 1.00 62.34 C ATOM 155 CD1 ILE A 10 3.272 -2.520 -2.351 1.00 34.01 C ATOM 0 H ILE A 10 5.616 -2.424 -5.465 1.00 34.44 H new ATOM 0 HA ILE A 10 3.366 -0.723 -4.612 1.00 62.31 H new ATOM 0 HB ILE A 10 6.199 -0.998 -3.533 1.00 5.31 H new ATOM 0 HG12 ILE A 10 5.054 -3.155 -3.335 1.00 23.20 H new ATOM 0 HG13 ILE A 10 5.319 -2.432 -1.761 1.00 23.20 H new ATOM 0 HG21 ILE A 10 5.281 0.083 -1.482 1.00 62.34 H new ATOM 0 HG22 ILE A 10 5.160 1.139 -2.909 1.00 62.34 H new ATOM 0 HG23 ILE A 10 3.717 0.289 -2.306 1.00 62.34 H new ATOM 0 HD11 ILE A 10 3.122 -3.491 -1.880 1.00 34.01 H new ATOM 0 HD12 ILE A 10 2.953 -1.732 -1.669 1.00 34.01 H new ATOM 0 HD13 ILE A 10 2.684 -2.467 -3.267 1.00 34.01 H new ATOM 167 N LYS A 11 4.177 1.342 -5.936 1.00 44.34 N ATOM 168 CA LYS A 11 4.583 2.404 -6.886 1.00 10.20 C ATOM 169 C LYS A 11 4.487 3.784 -6.233 1.00 61.35 C ATOM 170 O LYS A 11 3.433 4.173 -5.711 1.00 2.50 O ATOM 171 CB LYS A 11 3.680 2.338 -8.143 1.00 74.24 C ATOM 172 CG LYS A 11 3.670 0.960 -8.837 1.00 50.41 C ATOM 173 CD LYS A 11 4.995 0.592 -9.536 1.00 70.34 C ATOM 174 CE LYS A 11 5.304 1.505 -10.732 1.00 63.03 C ATOM 175 NZ LYS A 11 6.404 0.969 -11.569 1.00 1.42 N ATOM 0 H LYS A 11 3.202 1.398 -5.643 1.00 44.34 H new ATOM 0 HA LYS A 11 5.621 2.243 -7.176 1.00 10.20 H new ATOM 0 HB2 LYS A 11 2.660 2.598 -7.859 1.00 74.24 H new ATOM 0 HB3 LYS A 11 4.014 3.091 -8.857 1.00 74.24 H new ATOM 0 HG2 LYS A 11 3.439 0.195 -8.096 1.00 50.41 H new ATOM 0 HG3 LYS A 11 2.867 0.943 -9.574 1.00 50.41 H new ATOM 0 HD2 LYS A 11 5.811 0.654 -8.816 1.00 70.34 H new ATOM 0 HD3 LYS A 11 4.947 -0.443 -9.876 1.00 70.34 H new ATOM 0 HE2 LYS A 11 4.408 1.620 -11.341 1.00 63.03 H new ATOM 0 HE3 LYS A 11 5.574 2.497 -10.371 1.00 63.03 H new ATOM 0 HZ1 LYS A 11 6.165 1.088 -12.574 1.00 1.42 H new ATOM 0 HZ2 LYS A 11 7.283 1.484 -11.358 1.00 1.42 H new ATOM 0 HZ3 LYS A 11 6.537 -0.042 -11.362 1.00 1.42 H new ATOM 189 N ILE A 12 5.604 4.515 -6.245 1.00 11.34 N ATOM 190 CA ILE A 12 5.663 5.887 -5.737 1.00 33.14 C ATOM 191 C ILE A 12 5.519 6.854 -6.922 1.00 24.21 C ATOM 192 O ILE A 12 6.399 6.925 -7.794 1.00 22.12 O ATOM 193 CB ILE A 12 7.007 6.143 -4.962 1.00 32.43 C ATOM 194 CG1 ILE A 12 7.177 5.105 -3.800 1.00 10.15 C ATOM 195 CG2 ILE A 12 7.105 7.603 -4.445 1.00 74.33 C ATOM 196 CD1 ILE A 12 6.055 5.079 -2.766 1.00 74.14 C ATOM 0 H ILE A 12 6.494 4.172 -6.608 1.00 11.34 H new ATOM 0 HA ILE A 12 4.849 6.050 -5.031 1.00 33.14 H new ATOM 0 HB ILE A 12 7.830 6.004 -5.663 1.00 32.43 H new ATOM 0 HG12 ILE A 12 7.267 4.110 -4.236 1.00 10.15 H new ATOM 0 HG13 ILE A 12 8.115 5.313 -3.286 1.00 10.15 H new ATOM 0 HG21 ILE A 12 8.048 7.739 -3.915 1.00 74.33 H new ATOM 0 HG22 ILE A 12 7.060 8.292 -5.289 1.00 74.33 H new ATOM 0 HG23 ILE A 12 6.276 7.805 -3.767 1.00 74.33 H new ATOM 0 HD11 ILE A 12 6.275 4.326 -2.009 1.00 74.14 H new ATOM 0 HD12 ILE A 12 5.974 6.057 -2.292 1.00 74.14 H new ATOM 0 HD13 ILE A 12 5.113 4.835 -3.257 1.00 74.14 H new ATOM 208 N ASP A 13 4.388 7.582 -6.945 1.00 24.52 N ATOM 209 CA ASP A 13 4.020 8.498 -8.037 1.00 34.43 C ATOM 210 C ASP A 13 3.985 9.937 -7.510 1.00 53.24 C ATOM 211 O ASP A 13 3.029 10.370 -6.866 1.00 43.23 O ATOM 212 CB ASP A 13 2.651 8.094 -8.650 1.00 4.51 C ATOM 213 CG ASP A 13 2.708 6.745 -9.383 1.00 12.13 C ATOM 214 OD1 ASP A 13 2.694 5.686 -8.724 1.00 21.25 O ATOM 215 OD2 ASP A 13 2.760 6.734 -10.634 1.00 12.12 O ATOM 0 H ASP A 13 3.696 7.549 -6.196 1.00 24.52 H new ATOM 0 HA ASP A 13 4.768 8.433 -8.827 1.00 34.43 H new ATOM 0 HB2 ASP A 13 1.904 8.042 -7.858 1.00 4.51 H new ATOM 0 HB3 ASP A 13 2.326 8.868 -9.345 1.00 4.51 H new ATOM 220 N CYS A 14 5.042 10.683 -7.799 1.00 25.52 N ATOM 221 CA CYS A 14 5.201 12.081 -7.371 1.00 54.25 C ATOM 222 C CYS A 14 5.621 12.927 -8.579 1.00 10.52 C ATOM 223 O CYS A 14 6.273 13.968 -8.438 1.00 22.12 O ATOM 224 CB CYS A 14 6.257 12.122 -6.247 1.00 73.02 C ATOM 225 SG CYS A 14 7.838 11.377 -6.705 1.00 23.22 S ATOM 0 H CYS A 14 5.830 10.336 -8.346 1.00 25.52 H new ATOM 0 HA CYS A 14 4.267 12.490 -6.986 1.00 54.25 H new ATOM 0 HB2 CYS A 14 6.425 13.159 -5.957 1.00 73.02 H new ATOM 0 HB3 CYS A 14 5.863 11.606 -5.372 1.00 73.02 H new ATOM 0 HG CYS A 14 7.754 10.084 -6.603 1.00 23.22 H new ATOM 231 N GLY A 15 5.177 12.479 -9.766 1.00 63.14 N ATOM 232 CA GLY A 15 5.642 13.002 -11.042 1.00 31.22 C ATOM 233 C GLY A 15 6.868 12.237 -11.504 1.00 4.11 C ATOM 234 O GLY A 15 6.744 11.225 -12.206 1.00 43.24 O ATOM 0 H GLY A 15 4.481 11.739 -9.857 1.00 63.14 H new ATOM 0 HA2 GLY A 15 4.851 12.920 -11.787 1.00 31.22 H new ATOM 0 HA3 GLY A 15 5.880 14.061 -10.945 1.00 31.22 H new ATOM 238 N ASN A 16 8.051 12.699 -11.066 1.00 33.10 N ATOM 239 CA ASN A 16 9.349 12.045 -11.379 1.00 41.14 C ATOM 240 C ASN A 16 10.461 12.582 -10.440 1.00 30.02 C ATOM 241 O ASN A 16 11.658 12.391 -10.689 1.00 52.33 O ATOM 242 CB ASN A 16 9.689 12.270 -12.889 1.00 60.24 C ATOM 243 CG ASN A 16 10.777 11.341 -13.429 1.00 20.04 C ATOM 244 OD1 ASN A 16 10.497 10.219 -13.852 1.00 45.13 O ATOM 245 ND2 ASN A 16 12.012 11.802 -13.439 1.00 44.53 N ATOM 0 H ASN A 16 8.143 13.533 -10.486 1.00 33.10 H new ATOM 0 HA ASN A 16 9.278 10.971 -11.206 1.00 41.14 H new ATOM 0 HB2 ASN A 16 8.783 12.132 -13.479 1.00 60.24 H new ATOM 0 HB3 ASN A 16 10.006 13.303 -13.029 1.00 60.24 H new ATOM 0 HD21 ASN A 16 12.769 11.224 -13.805 1.00 44.53 H new ATOM 0 HD22 ASN A 16 12.211 12.736 -13.081 1.00 44.53 H new ATOM 252 N ASP A 17 10.045 13.232 -9.333 1.00 51.24 N ATOM 253 CA ASP A 17 10.970 13.804 -8.335 1.00 31.51 C ATOM 254 C ASP A 17 11.675 12.666 -7.580 1.00 74.12 C ATOM 255 O ASP A 17 12.892 12.670 -7.407 1.00 32.00 O ATOM 256 CB ASP A 17 10.207 14.727 -7.359 1.00 22.11 C ATOM 257 CG ASP A 17 11.160 15.518 -6.453 1.00 1.24 C ATOM 258 OD1 ASP A 17 11.703 16.549 -6.908 1.00 51.33 O ATOM 259 OD2 ASP A 17 11.392 15.106 -5.299 1.00 2.03 O ATOM 0 H ASP A 17 9.061 13.374 -9.107 1.00 51.24 H new ATOM 0 HA ASP A 17 11.722 14.407 -8.843 1.00 31.51 H new ATOM 0 HB2 ASP A 17 9.586 15.421 -7.926 1.00 22.11 H new ATOM 0 HB3 ASP A 17 9.535 14.128 -6.744 1.00 22.11 H new ATOM 264 N ASP A 18 10.866 11.706 -7.123 1.00 13.31 N ATOM 265 CA ASP A 18 11.335 10.382 -6.680 1.00 62.42 C ATOM 266 C ASP A 18 10.999 9.390 -7.796 1.00 10.21 C ATOM 267 O ASP A 18 9.836 9.297 -8.213 1.00 21.30 O ATOM 268 CB ASP A 18 10.661 9.939 -5.349 1.00 62.41 C ATOM 269 CG ASP A 18 11.247 8.623 -4.805 1.00 33.43 C ATOM 270 OD1 ASP A 18 12.341 8.666 -4.187 1.00 52.45 O ATOM 271 OD2 ASP A 18 10.637 7.545 -4.978 1.00 24.15 O ATOM 0 H ASP A 18 9.856 11.824 -7.048 1.00 13.31 H new ATOM 0 HA ASP A 18 12.407 10.419 -6.487 1.00 62.42 H new ATOM 0 HB2 ASP A 18 10.784 10.724 -4.603 1.00 62.41 H new ATOM 0 HB3 ASP A 18 9.590 9.818 -5.510 1.00 62.41 H new ATOM 276 N LYS A 19 12.018 8.684 -8.304 1.00 74.41 N ATOM 277 CA LYS A 19 11.839 7.680 -9.358 1.00 45.02 C ATOM 278 C LYS A 19 11.073 6.471 -8.783 1.00 33.34 C ATOM 279 O LYS A 19 11.202 6.160 -7.589 1.00 14.51 O ATOM 280 CB LYS A 19 13.222 7.277 -9.956 1.00 63.23 C ATOM 281 CG LYS A 19 13.164 6.295 -11.152 1.00 2.14 C ATOM 282 CD LYS A 19 14.529 6.125 -11.871 1.00 2.14 C ATOM 283 CE LYS A 19 15.047 7.434 -12.509 1.00 3.22 C ATOM 284 NZ LYS A 19 16.358 7.247 -13.202 1.00 42.44 N ATOM 0 H LYS A 19 12.985 8.793 -7.997 1.00 74.41 H new ATOM 0 HA LYS A 19 11.248 8.093 -10.175 1.00 45.02 H new ATOM 0 HB2 LYS A 19 13.739 8.182 -10.275 1.00 63.23 H new ATOM 0 HB3 LYS A 19 13.824 6.827 -9.166 1.00 63.23 H new ATOM 0 HG2 LYS A 19 12.823 5.322 -10.798 1.00 2.14 H new ATOM 0 HG3 LYS A 19 12.424 6.650 -11.870 1.00 2.14 H new ATOM 0 HD2 LYS A 19 15.266 5.760 -11.156 1.00 2.14 H new ATOM 0 HD3 LYS A 19 14.432 5.364 -12.645 1.00 2.14 H new ATOM 0 HE2 LYS A 19 14.311 7.804 -13.223 1.00 3.22 H new ATOM 0 HE3 LYS A 19 15.152 8.195 -11.736 1.00 3.22 H new ATOM 0 HZ1 LYS A 19 16.665 8.151 -13.614 1.00 42.44 H new ATOM 0 HZ2 LYS A 19 17.069 6.919 -12.517 1.00 42.44 H new ATOM 0 HZ3 LYS A 19 16.254 6.540 -13.958 1.00 42.44 H new ATOM 298 N GLU A 20 10.273 5.812 -9.642 1.00 51.02 N ATOM 299 CA GLU A 20 9.399 4.692 -9.250 1.00 70.12 C ATOM 300 C GLU A 20 10.235 3.567 -8.589 1.00 71.21 C ATOM 301 O GLU A 20 11.224 3.090 -9.162 1.00 41.44 O ATOM 302 CB GLU A 20 8.640 4.159 -10.502 1.00 33.52 C ATOM 303 CG GLU A 20 9.560 3.748 -11.678 1.00 33.40 C ATOM 304 CD GLU A 20 8.826 2.988 -12.789 1.00 50.44 C ATOM 305 OE1 GLU A 20 8.207 3.634 -13.655 1.00 12.41 O ATOM 306 OE2 GLU A 20 8.842 1.738 -12.785 1.00 53.33 O ATOM 0 H GLU A 20 10.215 6.044 -10.634 1.00 51.02 H new ATOM 0 HA GLU A 20 8.668 5.041 -8.521 1.00 70.12 H new ATOM 0 HB2 GLU A 20 8.039 3.299 -10.209 1.00 33.52 H new ATOM 0 HB3 GLU A 20 7.949 4.928 -10.848 1.00 33.52 H new ATOM 0 HG2 GLU A 20 10.018 4.642 -12.101 1.00 33.40 H new ATOM 0 HG3 GLU A 20 10.369 3.126 -11.296 1.00 33.40 H new ATOM 313 N THR A 21 9.866 3.198 -7.355 1.00 53.22 N ATOM 314 CA THR A 21 10.602 2.212 -6.553 1.00 0.13 C ATOM 315 C THR A 21 9.628 1.179 -5.962 1.00 53.42 C ATOM 316 O THR A 21 8.829 1.494 -5.073 1.00 42.31 O ATOM 317 CB THR A 21 11.455 2.909 -5.425 1.00 64.23 C ATOM 318 OG1 THR A 21 12.023 1.931 -4.538 1.00 62.22 O ATOM 319 CG2 THR A 21 10.647 3.938 -4.611 1.00 11.12 C ATOM 0 H THR A 21 9.045 3.577 -6.883 1.00 53.22 H new ATOM 0 HA THR A 21 11.302 1.691 -7.206 1.00 0.13 H new ATOM 0 HB THR A 21 12.252 3.450 -5.936 1.00 64.23 H new ATOM 0 HG1 THR A 21 12.550 2.383 -3.846 1.00 62.22 H new ATOM 0 HG21 THR A 21 11.288 4.384 -3.850 1.00 11.12 H new ATOM 0 HG22 THR A 21 10.276 4.718 -5.276 1.00 11.12 H new ATOM 0 HG23 THR A 21 9.805 3.441 -4.130 1.00 11.12 H new ATOM 327 N THR A 22 9.682 -0.041 -6.513 1.00 24.31 N ATOM 328 CA THR A 22 8.953 -1.195 -5.984 1.00 71.33 C ATOM 329 C THR A 22 9.801 -1.876 -4.912 1.00 61.52 C ATOM 330 O THR A 22 11.017 -2.027 -5.073 1.00 22.51 O ATOM 331 CB THR A 22 8.600 -2.213 -7.119 1.00 70.55 C ATOM 332 OG1 THR A 22 9.762 -2.447 -7.935 1.00 32.32 O ATOM 333 CG2 THR A 22 7.455 -1.710 -8.012 1.00 42.14 C ATOM 0 H THR A 22 10.236 -0.253 -7.342 1.00 24.31 H new ATOM 0 HA THR A 22 8.016 -0.846 -5.549 1.00 71.33 H new ATOM 0 HB THR A 22 8.274 -3.136 -6.640 1.00 70.55 H new ATOM 0 HG1 THR A 22 9.540 -3.086 -8.644 1.00 32.32 H new ATOM 0 HG21 THR A 22 7.245 -2.449 -8.785 1.00 42.14 H new ATOM 0 HG22 THR A 22 6.562 -1.555 -7.406 1.00 42.14 H new ATOM 0 HG23 THR A 22 7.744 -0.769 -8.479 1.00 42.14 H new ATOM 341 N TYR A 23 9.150 -2.283 -3.825 1.00 34.04 N ATOM 342 CA TYR A 23 9.810 -2.971 -2.719 1.00 42.15 C ATOM 343 C TYR A 23 9.438 -4.450 -2.804 1.00 10.50 C ATOM 344 O TYR A 23 8.250 -4.783 -2.825 1.00 53.04 O ATOM 345 CB TYR A 23 9.344 -2.364 -1.368 1.00 50.04 C ATOM 346 CG TYR A 23 9.643 -0.866 -1.218 1.00 42.31 C ATOM 347 CD1 TYR A 23 10.874 -0.425 -0.724 1.00 53.01 C ATOM 348 CD2 TYR A 23 8.701 0.110 -1.576 1.00 13.32 C ATOM 349 CE1 TYR A 23 11.152 0.922 -0.589 1.00 74.23 C ATOM 350 CE2 TYR A 23 8.977 1.459 -1.440 1.00 32.41 C ATOM 351 CZ TYR A 23 10.201 1.860 -0.949 1.00 65.41 C ATOM 352 OH TYR A 23 10.472 3.205 -0.807 1.00 23.31 O ATOM 0 H TYR A 23 8.149 -2.145 -3.686 1.00 34.04 H new ATOM 0 HA TYR A 23 10.892 -2.856 -2.781 1.00 42.15 H new ATOM 0 HB2 TYR A 23 8.271 -2.522 -1.262 1.00 50.04 H new ATOM 0 HB3 TYR A 23 9.827 -2.903 -0.554 1.00 50.04 H new ATOM 0 HD1 TYR A 23 11.622 -1.151 -0.442 1.00 53.01 H new ATOM 0 HD2 TYR A 23 7.742 -0.198 -1.965 1.00 13.32 H new ATOM 0 HE1 TYR A 23 12.109 1.241 -0.204 1.00 74.23 H new ATOM 0 HE2 TYR A 23 8.237 2.195 -1.717 1.00 32.41 H new ATOM 0 HH TYR A 23 9.699 3.728 -1.107 1.00 23.31 H new ATOM 362 N ASP A 24 10.455 -5.325 -2.851 1.00 61.34 N ATOM 363 CA ASP A 24 10.260 -6.779 -2.972 1.00 33.30 C ATOM 364 C ASP A 24 9.842 -7.342 -1.615 1.00 64.30 C ATOM 365 O ASP A 24 10.681 -7.504 -0.725 1.00 53.04 O ATOM 366 CB ASP A 24 11.560 -7.475 -3.473 1.00 72.30 C ATOM 367 CG ASP A 24 12.029 -6.955 -4.843 1.00 72.10 C ATOM 368 OD1 ASP A 24 11.592 -7.497 -5.879 1.00 14.30 O ATOM 369 OD2 ASP A 24 12.843 -6.003 -4.895 1.00 24.52 O ATOM 0 H ASP A 24 11.435 -5.045 -2.806 1.00 61.34 H new ATOM 0 HA ASP A 24 9.477 -6.974 -3.705 1.00 33.30 H new ATOM 0 HB2 ASP A 24 12.353 -7.322 -2.741 1.00 72.30 H new ATOM 0 HB3 ASP A 24 11.389 -8.550 -3.537 1.00 72.30 H new ATOM 374 N LEU A 25 8.535 -7.569 -1.443 1.00 64.30 N ATOM 375 CA LEU A 25 7.979 -8.142 -0.209 1.00 71.04 C ATOM 376 C LEU A 25 7.012 -9.276 -0.560 1.00 61.42 C ATOM 377 O LEU A 25 6.308 -9.219 -1.580 1.00 43.31 O ATOM 378 CB LEU A 25 7.306 -7.023 0.642 1.00 71.21 C ATOM 379 CG LEU A 25 6.009 -6.340 0.070 1.00 13.53 C ATOM 380 CD1 LEU A 25 4.711 -6.980 0.621 1.00 42.34 C ATOM 381 CD2 LEU A 25 6.016 -4.817 0.306 1.00 42.55 C ATOM 0 H LEU A 25 7.833 -7.362 -2.153 1.00 64.30 H new ATOM 0 HA LEU A 25 8.776 -8.569 0.399 1.00 71.04 H new ATOM 0 HB2 LEU A 25 7.059 -7.447 1.615 1.00 71.21 H new ATOM 0 HB3 LEU A 25 8.047 -6.242 0.813 1.00 71.21 H new ATOM 0 HG LEU A 25 6.021 -6.514 -1.006 1.00 13.53 H new ATOM 0 HD11 LEU A 25 3.846 -6.472 0.195 1.00 42.34 H new ATOM 0 HD12 LEU A 25 4.682 -8.035 0.350 1.00 42.34 H new ATOM 0 HD13 LEU A 25 4.690 -6.884 1.707 1.00 42.34 H new ATOM 0 HD21 LEU A 25 5.104 -4.381 -0.103 1.00 42.55 H new ATOM 0 HD22 LEU A 25 6.067 -4.615 1.376 1.00 42.55 H new ATOM 0 HD23 LEU A 25 6.882 -4.376 -0.188 1.00 42.55 H new ATOM 393 N TYR A 26 7.002 -10.314 0.283 1.00 51.42 N ATOM 394 CA TYR A 26 6.154 -11.501 0.110 1.00 61.35 C ATOM 395 C TYR A 26 5.301 -11.690 1.368 1.00 41.53 C ATOM 396 O TYR A 26 5.684 -11.254 2.465 1.00 25.50 O ATOM 397 CB TYR A 26 7.037 -12.757 -0.143 1.00 41.04 C ATOM 398 CG TYR A 26 7.920 -12.658 -1.401 1.00 44.12 C ATOM 399 CD1 TYR A 26 9.176 -12.030 -1.363 1.00 33.44 C ATOM 400 CD2 TYR A 26 7.489 -13.165 -2.629 1.00 60.01 C ATOM 401 CE1 TYR A 26 9.955 -11.919 -2.496 1.00 11.35 C ATOM 402 CE2 TYR A 26 8.268 -13.051 -3.762 1.00 44.43 C ATOM 403 CZ TYR A 26 9.497 -12.428 -3.690 1.00 4.54 C ATOM 404 OH TYR A 26 10.276 -12.313 -4.818 1.00 21.44 O ATOM 0 H TYR A 26 7.590 -10.355 1.116 1.00 51.42 H new ATOM 0 HA TYR A 26 5.501 -11.365 -0.752 1.00 61.35 H new ATOM 0 HB2 TYR A 26 7.676 -12.920 0.725 1.00 41.04 H new ATOM 0 HB3 TYR A 26 6.391 -13.631 -0.233 1.00 41.04 H new ATOM 0 HD1 TYR A 26 9.539 -11.626 -0.429 1.00 33.44 H new ATOM 0 HD2 TYR A 26 6.529 -13.655 -2.693 1.00 60.01 H new ATOM 0 HE1 TYR A 26 10.919 -11.435 -2.446 1.00 11.35 H new ATOM 0 HE2 TYR A 26 7.917 -13.448 -4.703 1.00 44.43 H new ATOM 0 HH TYR A 26 10.351 -13.187 -5.255 1.00 21.44 H new ATOM 414 N PHE A 27 4.139 -12.330 1.198 1.00 45.04 N ATOM 415 CA PHE A 27 3.200 -12.611 2.295 1.00 30.25 C ATOM 416 C PHE A 27 3.385 -14.052 2.793 1.00 65.12 C ATOM 417 O PHE A 27 4.078 -14.861 2.158 1.00 31.50 O ATOM 418 CB PHE A 27 1.741 -12.382 1.815 1.00 2.44 C ATOM 419 CG PHE A 27 1.490 -10.983 1.250 1.00 22.54 C ATOM 420 CD1 PHE A 27 1.720 -10.693 -0.098 1.00 0.31 C ATOM 421 CD2 PHE A 27 1.042 -9.958 2.067 1.00 31.24 C ATOM 422 CE1 PHE A 27 1.506 -9.422 -0.596 1.00 41.43 C ATOM 423 CE2 PHE A 27 0.835 -8.697 1.567 1.00 10.33 C ATOM 424 CZ PHE A 27 1.064 -8.425 0.237 1.00 44.52 C ATOM 0 H PHE A 27 3.820 -12.670 0.291 1.00 45.04 H new ATOM 0 HA PHE A 27 3.405 -11.932 3.122 1.00 30.25 H new ATOM 0 HB2 PHE A 27 1.499 -13.121 1.051 1.00 2.44 H new ATOM 0 HB3 PHE A 27 1.062 -12.554 2.650 1.00 2.44 H new ATOM 0 HD1 PHE A 27 2.069 -11.472 -0.759 1.00 0.31 H new ATOM 0 HD2 PHE A 27 0.853 -10.154 3.112 1.00 31.24 H new ATOM 0 HE1 PHE A 27 1.686 -9.213 -1.640 1.00 41.43 H new ATOM 0 HE2 PHE A 27 0.489 -7.911 2.222 1.00 10.33 H new ATOM 0 HZ PHE A 27 0.896 -7.431 -0.149 1.00 44.52 H new ATOM 434 N SER A 28 2.746 -14.361 3.931 1.00 51.43 N ATOM 435 CA SER A 28 2.800 -15.690 4.547 1.00 43.34 C ATOM 436 C SER A 28 1.413 -16.045 5.107 1.00 63.03 C ATOM 437 O SER A 28 0.713 -16.891 4.537 1.00 25.14 O ATOM 438 CB SER A 28 3.894 -15.734 5.638 1.00 62.11 C ATOM 439 OG SER A 28 3.995 -17.024 6.230 1.00 73.35 O ATOM 0 H SER A 28 2.176 -13.692 4.450 1.00 51.43 H new ATOM 0 HA SER A 28 3.066 -16.436 3.798 1.00 43.34 H new ATOM 0 HB2 SER A 28 4.854 -15.457 5.202 1.00 62.11 H new ATOM 0 HB3 SER A 28 3.669 -14.996 6.409 1.00 62.11 H new ATOM 0 HG SER A 28 3.900 -16.946 7.202 1.00 73.35 H new ATOM 445 N LYS A 29 1.010 -15.384 6.213 1.00 21.32 N ATOM 446 CA LYS A 29 -0.307 -15.608 6.850 1.00 44.31 C ATOM 447 C LYS A 29 -1.005 -14.254 7.091 1.00 12.52 C ATOM 448 O LYS A 29 -1.919 -13.890 6.343 1.00 33.25 O ATOM 449 CB LYS A 29 -0.146 -16.402 8.182 1.00 5.24 C ATOM 450 CG LYS A 29 0.574 -17.759 8.021 1.00 52.32 C ATOM 451 CD LYS A 29 0.648 -18.570 9.331 1.00 52.24 C ATOM 452 CE LYS A 29 1.436 -19.882 9.162 1.00 64.34 C ATOM 453 NZ LYS A 29 0.877 -20.743 8.084 1.00 32.30 N ATOM 0 H LYS A 29 1.583 -14.685 6.687 1.00 21.32 H new ATOM 0 HA LYS A 29 -0.928 -16.206 6.183 1.00 44.31 H new ATOM 0 HB2 LYS A 29 0.409 -15.790 8.893 1.00 5.24 H new ATOM 0 HB3 LYS A 29 -1.133 -16.575 8.612 1.00 5.24 H new ATOM 0 HG2 LYS A 29 0.056 -18.350 7.265 1.00 52.32 H new ATOM 0 HG3 LYS A 29 1.585 -17.585 7.652 1.00 52.32 H new ATOM 0 HD2 LYS A 29 1.118 -17.964 10.105 1.00 52.24 H new ATOM 0 HD3 LYS A 29 -0.362 -18.797 9.673 1.00 52.24 H new ATOM 0 HE2 LYS A 29 2.477 -19.651 8.936 1.00 64.34 H new ATOM 0 HE3 LYS A 29 1.428 -20.432 10.103 1.00 64.34 H new ATOM 0 HZ1 LYS A 29 1.352 -21.668 8.097 1.00 32.30 H new ATOM 0 HZ2 LYS A 29 -0.143 -20.875 8.239 1.00 32.30 H new ATOM 0 HZ3 LYS A 29 1.031 -20.288 7.162 1.00 32.30 H new ATOM 467 N ALA A 30 -0.532 -13.491 8.104 1.00 1.32 N ATOM 468 CA ALA A 30 -1.156 -12.205 8.486 1.00 0.44 C ATOM 469 C ALA A 30 -0.197 -11.332 9.309 1.00 71.23 C ATOM 470 O ALA A 30 -0.023 -10.156 8.999 1.00 12.33 O ATOM 471 CB ALA A 30 -2.459 -12.443 9.271 1.00 53.13 C ATOM 0 H ALA A 30 0.278 -13.744 8.670 1.00 1.32 H new ATOM 0 HA ALA A 30 -1.390 -11.672 7.564 1.00 0.44 H new ATOM 0 HB1 ALA A 30 -2.901 -11.484 9.542 1.00 53.13 H new ATOM 0 HB2 ALA A 30 -3.159 -13.004 8.652 1.00 53.13 H new ATOM 0 HB3 ALA A 30 -2.240 -13.010 10.176 1.00 53.13 H new ATOM 477 N GLU A 31 0.405 -11.918 10.367 1.00 42.41 N ATOM 478 CA GLU A 31 1.283 -11.179 11.313 1.00 20.30 C ATOM 479 C GLU A 31 2.570 -10.723 10.612 1.00 23.30 C ATOM 480 O GLU A 31 2.985 -9.566 10.739 1.00 2.31 O ATOM 481 CB GLU A 31 1.627 -12.056 12.551 1.00 0.24 C ATOM 482 CG GLU A 31 2.435 -11.314 13.637 1.00 12.10 C ATOM 483 CD GLU A 31 2.786 -12.200 14.839 1.00 2.32 C ATOM 484 OE1 GLU A 31 1.961 -12.319 15.772 1.00 42.42 O ATOM 485 OE2 GLU A 31 3.882 -12.798 14.853 1.00 3.32 O ATOM 0 H GLU A 31 0.300 -12.907 10.592 1.00 42.41 H new ATOM 0 HA GLU A 31 0.741 -10.298 11.656 1.00 20.30 H new ATOM 0 HB2 GLU A 31 0.701 -12.426 12.990 1.00 0.24 H new ATOM 0 HB3 GLU A 31 2.194 -12.927 12.221 1.00 0.24 H new ATOM 0 HG2 GLU A 31 3.355 -10.929 13.197 1.00 12.10 H new ATOM 0 HG3 GLU A 31 1.862 -10.454 13.983 1.00 12.10 H new ATOM 492 N GLU A 32 3.168 -11.651 9.853 1.00 15.12 N ATOM 493 CA GLU A 32 4.369 -11.393 9.045 1.00 21.02 C ATOM 494 C GLU A 32 4.063 -10.286 8.027 1.00 55.31 C ATOM 495 O GLU A 32 4.807 -9.320 7.899 1.00 72.13 O ATOM 496 CB GLU A 32 4.845 -12.680 8.299 1.00 51.32 C ATOM 497 CG GLU A 32 4.835 -13.986 9.151 1.00 44.00 C ATOM 498 CD GLU A 32 3.541 -14.827 9.023 1.00 54.05 C ATOM 499 OE1 GLU A 32 2.442 -14.262 8.788 1.00 50.20 O ATOM 500 OE2 GLU A 32 3.620 -16.069 9.131 1.00 42.45 O ATOM 0 H GLU A 32 2.829 -12.610 9.781 1.00 15.12 H new ATOM 0 HA GLU A 32 5.172 -11.079 9.712 1.00 21.02 H new ATOM 0 HB2 GLU A 32 4.209 -12.830 7.426 1.00 51.32 H new ATOM 0 HB3 GLU A 32 5.857 -12.513 7.931 1.00 51.32 H new ATOM 0 HG2 GLU A 32 5.684 -14.603 8.857 1.00 44.00 H new ATOM 0 HG3 GLU A 32 4.980 -13.722 10.199 1.00 44.00 H new ATOM 507 N ALA A 33 2.907 -10.445 7.349 1.00 52.42 N ATOM 508 CA ALA A 33 2.400 -9.483 6.356 1.00 33.11 C ATOM 509 C ALA A 33 2.196 -8.084 6.979 1.00 61.54 C ATOM 510 O ALA A 33 2.494 -7.080 6.348 1.00 51.33 O ATOM 511 CB ALA A 33 1.088 -10.006 5.743 1.00 1.41 C ATOM 0 H ALA A 33 2.297 -11.252 7.479 1.00 52.42 H new ATOM 0 HA ALA A 33 3.144 -9.381 5.566 1.00 33.11 H new ATOM 0 HB1 ALA A 33 0.718 -9.290 5.009 1.00 1.41 H new ATOM 0 HB2 ALA A 33 1.271 -10.964 5.255 1.00 1.41 H new ATOM 0 HB3 ALA A 33 0.345 -10.136 6.530 1.00 1.41 H new ATOM 517 N LYS A 34 1.734 -8.055 8.245 1.00 52.53 N ATOM 518 CA LYS A 34 1.455 -6.813 8.999 1.00 22.23 C ATOM 519 C LYS A 34 2.756 -6.021 9.293 1.00 70.33 C ATOM 520 O LYS A 34 2.734 -4.789 9.436 1.00 11.11 O ATOM 521 CB LYS A 34 0.683 -7.150 10.306 1.00 50.51 C ATOM 522 CG LYS A 34 0.229 -5.923 11.128 1.00 70.51 C ATOM 523 CD LYS A 34 -0.630 -6.310 12.353 1.00 52.54 C ATOM 524 CE LYS A 34 -1.051 -5.089 13.188 1.00 1.40 C ATOM 525 NZ LYS A 34 -1.826 -4.104 12.385 1.00 21.32 N ATOM 0 H LYS A 34 1.541 -8.902 8.780 1.00 52.53 H new ATOM 0 HA LYS A 34 0.828 -6.168 8.384 1.00 22.23 H new ATOM 0 HB2 LYS A 34 -0.195 -7.742 10.049 1.00 50.51 H new ATOM 0 HB3 LYS A 34 1.317 -7.776 10.934 1.00 50.51 H new ATOM 0 HG2 LYS A 34 1.107 -5.371 11.465 1.00 70.51 H new ATOM 0 HG3 LYS A 34 -0.342 -5.252 10.486 1.00 70.51 H new ATOM 0 HD2 LYS A 34 -1.521 -6.839 12.015 1.00 52.54 H new ATOM 0 HD3 LYS A 34 -0.069 -7.000 12.983 1.00 52.54 H new ATOM 0 HE2 LYS A 34 -1.652 -5.419 14.035 1.00 1.40 H new ATOM 0 HE3 LYS A 34 -0.163 -4.606 13.596 1.00 1.40 H new ATOM 0 HZ1 LYS A 34 -2.219 -3.375 13.015 1.00 21.32 H new ATOM 0 HZ2 LYS A 34 -1.199 -3.656 11.686 1.00 21.32 H new ATOM 0 HZ3 LYS A 34 -2.602 -4.591 11.893 1.00 21.32 H new ATOM 539 N GLU A 35 3.876 -6.748 9.398 1.00 72.01 N ATOM 540 CA GLU A 35 5.213 -6.151 9.566 1.00 1.33 C ATOM 541 C GLU A 35 5.613 -5.424 8.255 1.00 60.23 C ATOM 542 O GLU A 35 6.009 -4.251 8.284 1.00 11.34 O ATOM 543 CB GLU A 35 6.228 -7.268 9.950 1.00 44.43 C ATOM 544 CG GLU A 35 7.475 -6.812 10.752 1.00 61.03 C ATOM 545 CD GLU A 35 8.359 -5.759 10.056 1.00 32.14 C ATOM 546 OE1 GLU A 35 9.101 -6.108 9.113 1.00 44.52 O ATOM 547 OE2 GLU A 35 8.326 -4.578 10.459 1.00 14.04 O ATOM 0 H GLU A 35 3.884 -7.768 9.369 1.00 72.01 H new ATOM 0 HA GLU A 35 5.210 -5.414 10.369 1.00 1.33 H new ATOM 0 HB2 GLU A 35 5.702 -8.023 10.534 1.00 44.43 H new ATOM 0 HB3 GLU A 35 6.567 -7.752 9.034 1.00 44.43 H new ATOM 0 HG2 GLU A 35 7.143 -6.408 11.709 1.00 61.03 H new ATOM 0 HG3 GLU A 35 8.086 -7.688 10.970 1.00 61.03 H new ATOM 554 N LEU A 36 5.472 -6.138 7.112 1.00 73.41 N ATOM 555 CA LEU A 36 5.710 -5.570 5.758 1.00 70.53 C ATOM 556 C LEU A 36 4.817 -4.342 5.502 1.00 12.53 C ATOM 557 O LEU A 36 5.245 -3.372 4.892 1.00 31.13 O ATOM 558 CB LEU A 36 5.465 -6.640 4.649 1.00 53.12 C ATOM 559 CG LEU A 36 6.602 -7.695 4.412 1.00 24.15 C ATOM 560 CD1 LEU A 36 7.971 -7.011 4.154 1.00 32.33 C ATOM 561 CD2 LEU A 36 6.709 -8.734 5.552 1.00 33.54 C ATOM 0 H LEU A 36 5.192 -7.119 7.100 1.00 73.41 H new ATOM 0 HA LEU A 36 6.753 -5.256 5.719 1.00 70.53 H new ATOM 0 HB2 LEU A 36 4.549 -7.178 4.894 1.00 53.12 H new ATOM 0 HB3 LEU A 36 5.286 -6.118 3.709 1.00 53.12 H new ATOM 0 HG LEU A 36 6.320 -8.244 3.513 1.00 24.15 H new ATOM 0 HD11 LEU A 36 8.734 -7.773 3.994 1.00 32.33 H new ATOM 0 HD12 LEU A 36 7.900 -6.377 3.270 1.00 32.33 H new ATOM 0 HD13 LEU A 36 8.242 -6.402 5.016 1.00 32.33 H new ATOM 0 HD21 LEU A 36 7.513 -9.436 5.330 1.00 33.54 H new ATOM 0 HD22 LEU A 36 6.922 -8.223 6.491 1.00 33.54 H new ATOM 0 HD23 LEU A 36 5.768 -9.276 5.640 1.00 33.54 H new ATOM 573 N LEU A 37 3.582 -4.427 6.005 1.00 71.31 N ATOM 574 CA LEU A 37 2.554 -3.373 5.929 1.00 33.42 C ATOM 575 C LEU A 37 3.071 -2.062 6.513 1.00 33.22 C ATOM 576 O LEU A 37 2.927 -0.999 5.891 1.00 62.21 O ATOM 577 CB LEU A 37 1.303 -3.907 6.685 1.00 12.40 C ATOM 578 CG LEU A 37 0.018 -3.019 6.846 1.00 11.21 C ATOM 579 CD1 LEU A 37 -1.210 -3.924 7.093 1.00 1.44 C ATOM 580 CD2 LEU A 37 0.148 -1.996 8.006 1.00 40.02 C ATOM 0 H LEU A 37 3.254 -5.260 6.495 1.00 71.31 H new ATOM 0 HA LEU A 37 2.293 -3.150 4.895 1.00 33.42 H new ATOM 0 HB2 LEU A 37 0.996 -4.826 6.186 1.00 12.40 H new ATOM 0 HB3 LEU A 37 1.629 -4.183 7.688 1.00 12.40 H new ATOM 0 HG LEU A 37 -0.105 -2.454 5.922 1.00 11.21 H new ATOM 0 HD11 LEU A 37 -2.101 -3.306 7.205 1.00 1.44 H new ATOM 0 HD12 LEU A 37 -1.340 -4.599 6.247 1.00 1.44 H new ATOM 0 HD13 LEU A 37 -1.056 -4.506 8.002 1.00 1.44 H new ATOM 0 HD21 LEU A 37 -0.766 -1.407 8.076 1.00 40.02 H new ATOM 0 HD22 LEU A 37 0.309 -2.528 8.944 1.00 40.02 H new ATOM 0 HD23 LEU A 37 0.993 -1.334 7.814 1.00 40.02 H new ATOM 592 N LYS A 38 3.659 -2.158 7.723 1.00 22.53 N ATOM 593 CA LYS A 38 4.224 -1.003 8.414 1.00 43.30 C ATOM 594 C LYS A 38 5.376 -0.419 7.592 1.00 71.12 C ATOM 595 O LYS A 38 5.411 0.771 7.367 1.00 20.32 O ATOM 596 CB LYS A 38 4.703 -1.378 9.843 1.00 54.42 C ATOM 597 CG LYS A 38 5.377 -0.206 10.587 1.00 23.44 C ATOM 598 CD LYS A 38 5.725 -0.508 12.059 1.00 40.41 C ATOM 599 CE LYS A 38 6.446 0.679 12.721 1.00 25.15 C ATOM 600 NZ LYS A 38 5.648 1.941 12.640 1.00 62.33 N ATOM 0 H LYS A 38 3.750 -3.034 8.237 1.00 22.53 H new ATOM 0 HA LYS A 38 3.444 -0.249 8.518 1.00 43.30 H new ATOM 0 HB2 LYS A 38 3.850 -1.726 10.425 1.00 54.42 H new ATOM 0 HB3 LYS A 38 5.405 -2.209 9.777 1.00 54.42 H new ATOM 0 HG2 LYS A 38 6.290 0.068 10.058 1.00 23.44 H new ATOM 0 HG3 LYS A 38 4.716 0.660 10.552 1.00 23.44 H new ATOM 0 HD2 LYS A 38 4.813 -0.735 12.611 1.00 40.41 H new ATOM 0 HD3 LYS A 38 6.357 -1.394 12.110 1.00 40.41 H new ATOM 0 HE2 LYS A 38 6.645 0.444 13.766 1.00 25.15 H new ATOM 0 HE3 LYS A 38 7.412 0.830 12.239 1.00 25.15 H new ATOM 0 HZ1 LYS A 38 6.078 2.663 13.253 1.00 62.33 H new ATOM 0 HZ2 LYS A 38 5.637 2.282 11.658 1.00 62.33 H new ATOM 0 HZ3 LYS A 38 4.674 1.756 12.953 1.00 62.33 H new ATOM 614 N LYS A 39 6.270 -1.293 7.098 1.00 64.44 N ATOM 615 CA LYS A 39 7.485 -0.878 6.363 1.00 72.40 C ATOM 616 C LYS A 39 7.165 -0.142 5.043 1.00 20.41 C ATOM 617 O LYS A 39 7.919 0.751 4.637 1.00 73.41 O ATOM 618 CB LYS A 39 8.405 -2.103 6.125 1.00 52.13 C ATOM 619 CG LYS A 39 8.976 -2.698 7.435 1.00 31.24 C ATOM 620 CD LYS A 39 9.918 -1.710 8.187 1.00 71.54 C ATOM 621 CE LYS A 39 10.376 -2.235 9.563 1.00 41.42 C ATOM 622 NZ LYS A 39 10.960 -3.603 9.488 1.00 53.45 N ATOM 0 H LYS A 39 6.174 -2.304 7.195 1.00 64.44 H new ATOM 0 HA LYS A 39 8.014 -0.155 6.985 1.00 72.40 H new ATOM 0 HB2 LYS A 39 7.844 -2.874 5.597 1.00 52.13 H new ATOM 0 HB3 LYS A 39 9.230 -1.809 5.476 1.00 52.13 H new ATOM 0 HG2 LYS A 39 8.152 -2.977 8.091 1.00 31.24 H new ATOM 0 HG3 LYS A 39 9.524 -3.612 7.205 1.00 31.24 H new ATOM 0 HD2 LYS A 39 10.795 -1.514 7.570 1.00 71.54 H new ATOM 0 HD3 LYS A 39 9.403 -0.759 8.321 1.00 71.54 H new ATOM 0 HE2 LYS A 39 11.114 -1.551 9.981 1.00 41.42 H new ATOM 0 HE3 LYS A 39 9.526 -2.243 10.246 1.00 41.42 H new ATOM 0 HZ1 LYS A 39 11.282 -3.895 10.433 1.00 53.45 H new ATOM 0 HZ2 LYS A 39 10.239 -4.270 9.147 1.00 53.45 H new ATOM 0 HZ3 LYS A 39 11.767 -3.600 8.832 1.00 53.45 H new ATOM 636 N VAL A 40 6.044 -0.522 4.390 1.00 64.44 N ATOM 637 CA VAL A 40 5.524 0.203 3.208 1.00 31.42 C ATOM 638 C VAL A 40 5.003 1.585 3.641 1.00 72.52 C ATOM 639 O VAL A 40 5.300 2.588 2.999 1.00 1.23 O ATOM 640 CB VAL A 40 4.383 -0.594 2.462 1.00 71.33 C ATOM 641 CG1 VAL A 40 3.870 0.166 1.210 1.00 2.42 C ATOM 642 CG2 VAL A 40 4.869 -1.999 2.071 1.00 71.12 C ATOM 0 H VAL A 40 5.481 -1.328 4.662 1.00 64.44 H new ATOM 0 HA VAL A 40 6.348 0.315 2.503 1.00 31.42 H new ATOM 0 HB VAL A 40 3.548 -0.689 3.156 1.00 71.33 H new ATOM 0 HG11 VAL A 40 3.086 -0.417 0.726 1.00 2.42 H new ATOM 0 HG12 VAL A 40 3.469 1.134 1.511 1.00 2.42 H new ATOM 0 HG13 VAL A 40 4.694 0.315 0.512 1.00 2.42 H new ATOM 0 HG21 VAL A 40 4.068 -2.531 1.558 1.00 71.12 H new ATOM 0 HG22 VAL A 40 5.731 -1.915 1.409 1.00 71.12 H new ATOM 0 HG23 VAL A 40 5.154 -2.548 2.968 1.00 71.12 H new ATOM 652 N ALA A 41 4.245 1.609 4.756 1.00 62.21 N ATOM 653 CA ALA A 41 3.673 2.845 5.331 1.00 1.44 C ATOM 654 C ALA A 41 4.770 3.833 5.796 1.00 64.01 C ATOM 655 O ALA A 41 4.595 5.048 5.677 1.00 0.31 O ATOM 656 CB ALA A 41 2.730 2.493 6.495 1.00 23.44 C ATOM 0 H ALA A 41 4.011 0.769 5.285 1.00 62.21 H new ATOM 0 HA ALA A 41 3.106 3.346 4.546 1.00 1.44 H new ATOM 0 HB1 ALA A 41 2.312 3.408 6.914 1.00 23.44 H new ATOM 0 HB2 ALA A 41 1.922 1.859 6.130 1.00 23.44 H new ATOM 0 HB3 ALA A 41 3.287 1.962 7.267 1.00 23.44 H new ATOM 662 N GLU A 42 5.906 3.291 6.293 1.00 51.15 N ATOM 663 CA GLU A 42 7.046 4.095 6.766 1.00 12.41 C ATOM 664 C GLU A 42 7.696 4.814 5.584 1.00 14.15 C ATOM 665 O GLU A 42 7.896 6.033 5.616 1.00 43.14 O ATOM 666 CB GLU A 42 8.120 3.213 7.470 1.00 44.35 C ATOM 667 CG GLU A 42 7.650 2.459 8.728 1.00 4.21 C ATOM 668 CD GLU A 42 6.960 3.353 9.774 1.00 25.15 C ATOM 669 OE1 GLU A 42 7.662 4.136 10.450 1.00 0.30 O ATOM 670 OE2 GLU A 42 5.723 3.268 9.937 1.00 62.52 O ATOM 0 H GLU A 42 6.053 2.285 6.375 1.00 51.15 H new ATOM 0 HA GLU A 42 6.663 4.816 7.488 1.00 12.41 H new ATOM 0 HB2 GLU A 42 8.492 2.484 6.750 1.00 44.35 H new ATOM 0 HB3 GLU A 42 8.962 3.849 7.744 1.00 44.35 H new ATOM 0 HG2 GLU A 42 6.961 1.669 8.429 1.00 4.21 H new ATOM 0 HG3 GLU A 42 8.510 1.974 9.190 1.00 4.21 H new ATOM 677 N LYS A 43 8.017 4.023 4.542 1.00 3.24 N ATOM 678 CA LYS A 43 8.718 4.512 3.347 1.00 41.23 C ATOM 679 C LYS A 43 7.828 5.426 2.498 1.00 62.21 C ATOM 680 O LYS A 43 8.329 6.380 1.914 1.00 53.44 O ATOM 681 CB LYS A 43 9.280 3.326 2.512 1.00 64.30 C ATOM 682 CG LYS A 43 10.434 2.563 3.212 1.00 21.24 C ATOM 683 CD LYS A 43 11.597 3.502 3.637 1.00 31.42 C ATOM 684 CE LYS A 43 12.738 2.780 4.366 1.00 32.04 C ATOM 685 NZ LYS A 43 13.762 3.759 4.832 1.00 42.45 N ATOM 0 H LYS A 43 7.796 3.028 4.509 1.00 3.24 H new ATOM 0 HA LYS A 43 9.561 5.116 3.683 1.00 41.23 H new ATOM 0 HB2 LYS A 43 8.471 2.627 2.299 1.00 64.30 H new ATOM 0 HB3 LYS A 43 9.635 3.704 1.553 1.00 64.30 H new ATOM 0 HG2 LYS A 43 10.045 2.051 4.092 1.00 21.24 H new ATOM 0 HG3 LYS A 43 10.818 1.796 2.540 1.00 21.24 H new ATOM 0 HD2 LYS A 43 11.998 3.994 2.750 1.00 31.42 H new ATOM 0 HD3 LYS A 43 11.202 4.285 4.284 1.00 31.42 H new ATOM 0 HE2 LYS A 43 12.341 2.227 5.217 1.00 32.04 H new ATOM 0 HE3 LYS A 43 13.200 2.051 3.700 1.00 32.04 H new ATOM 0 HZ1 LYS A 43 14.527 3.254 5.323 1.00 42.45 H new ATOM 0 HZ2 LYS A 43 14.153 4.268 4.014 1.00 42.45 H new ATOM 0 HZ3 LYS A 43 13.321 4.438 5.484 1.00 42.45 H new ATOM 699 N ALA A 44 6.517 5.142 2.470 1.00 2.23 N ATOM 700 CA ALA A 44 5.530 5.942 1.716 1.00 1.35 C ATOM 701 C ALA A 44 5.366 7.327 2.357 1.00 21.23 C ATOM 702 O ALA A 44 5.383 8.341 1.659 1.00 0.51 O ATOM 703 CB ALA A 44 4.182 5.210 1.637 1.00 30.14 C ATOM 0 H ALA A 44 6.108 4.352 2.968 1.00 2.23 H new ATOM 0 HA ALA A 44 5.897 6.076 0.699 1.00 1.35 H new ATOM 0 HB1 ALA A 44 3.470 5.817 1.078 1.00 30.14 H new ATOM 0 HB2 ALA A 44 4.317 4.253 1.133 1.00 30.14 H new ATOM 0 HB3 ALA A 44 3.801 5.040 2.644 1.00 30.14 H new ATOM 709 N ALA A 45 5.241 7.348 3.701 1.00 12.23 N ATOM 710 CA ALA A 45 5.160 8.595 4.486 1.00 51.23 C ATOM 711 C ALA A 45 6.461 9.427 4.350 1.00 15.14 C ATOM 712 O ALA A 45 6.433 10.662 4.392 1.00 4.10 O ATOM 713 CB ALA A 45 4.874 8.270 5.959 1.00 63.24 C ATOM 0 H ALA A 45 5.194 6.503 4.270 1.00 12.23 H new ATOM 0 HA ALA A 45 4.341 9.197 4.093 1.00 51.23 H new ATOM 0 HB1 ALA A 45 4.816 9.196 6.531 1.00 63.24 H new ATOM 0 HB2 ALA A 45 3.927 7.735 6.036 1.00 63.24 H new ATOM 0 HB3 ALA A 45 5.676 7.648 6.357 1.00 63.24 H new ATOM 719 N ASP A 46 7.588 8.708 4.186 1.00 2.22 N ATOM 720 CA ASP A 46 8.924 9.293 3.970 1.00 40.33 C ATOM 721 C ASP A 46 9.001 9.974 2.593 1.00 13.23 C ATOM 722 O ASP A 46 9.564 11.068 2.472 1.00 35.00 O ATOM 723 CB ASP A 46 9.984 8.169 4.083 1.00 13.32 C ATOM 724 CG ASP A 46 11.441 8.650 3.970 1.00 0.22 C ATOM 725 OD1 ASP A 46 11.978 8.755 2.843 1.00 30.34 O ATOM 726 OD2 ASP A 46 12.069 8.916 5.012 1.00 51.01 O ATOM 0 H ASP A 46 7.595 7.688 4.200 1.00 2.22 H new ATOM 0 HA ASP A 46 9.116 10.054 4.727 1.00 40.33 H new ATOM 0 HB2 ASP A 46 9.856 7.661 5.039 1.00 13.32 H new ATOM 0 HB3 ASP A 46 9.797 7.431 3.303 1.00 13.32 H new ATOM 731 N LYS A 47 8.420 9.308 1.568 1.00 65.12 N ATOM 732 CA LYS A 47 8.378 9.833 0.185 1.00 71.42 C ATOM 733 C LYS A 47 7.659 11.180 0.139 1.00 70.11 C ATOM 734 O LYS A 47 8.107 12.092 -0.549 1.00 53.23 O ATOM 735 CB LYS A 47 7.664 8.845 -0.782 1.00 43.05 C ATOM 736 CG LYS A 47 8.378 7.496 -0.971 1.00 54.33 C ATOM 737 CD LYS A 47 9.816 7.641 -1.506 1.00 53.25 C ATOM 738 CE LYS A 47 10.494 6.289 -1.759 1.00 2.50 C ATOM 739 NZ LYS A 47 11.864 6.459 -2.315 1.00 73.32 N ATOM 0 H LYS A 47 7.971 8.399 1.676 1.00 65.12 H new ATOM 0 HA LYS A 47 9.411 9.957 -0.139 1.00 71.42 H new ATOM 0 HB2 LYS A 47 6.657 8.658 -0.409 1.00 43.05 H new ATOM 0 HB3 LYS A 47 7.559 9.324 -1.756 1.00 43.05 H new ATOM 0 HG2 LYS A 47 8.403 6.969 -0.017 1.00 54.33 H new ATOM 0 HG3 LYS A 47 7.801 6.880 -1.661 1.00 54.33 H new ATOM 0 HD2 LYS A 47 9.798 8.213 -2.434 1.00 53.25 H new ATOM 0 HD3 LYS A 47 10.409 8.212 -0.791 1.00 53.25 H new ATOM 0 HE2 LYS A 47 10.546 5.727 -0.826 1.00 2.50 H new ATOM 0 HE3 LYS A 47 9.890 5.702 -2.451 1.00 2.50 H new ATOM 0 HZ1 LYS A 47 12.471 5.680 -1.988 1.00 73.32 H new ATOM 0 HZ2 LYS A 47 11.820 6.451 -3.354 1.00 73.32 H new ATOM 0 HZ3 LYS A 47 12.260 7.365 -1.992 1.00 73.32 H new ATOM 753 N ILE A 48 6.557 11.273 0.907 1.00 64.34 N ATOM 754 CA ILE A 48 5.721 12.480 0.990 1.00 44.04 C ATOM 755 C ILE A 48 6.511 13.655 1.612 1.00 74.30 C ATOM 756 O ILE A 48 6.306 14.815 1.229 1.00 1.22 O ATOM 757 CB ILE A 48 4.403 12.208 1.818 1.00 73.33 C ATOM 758 CG1 ILE A 48 3.622 10.972 1.256 1.00 3.23 C ATOM 759 CG2 ILE A 48 3.486 13.456 1.823 1.00 23.52 C ATOM 760 CD1 ILE A 48 2.680 10.300 2.243 1.00 74.45 C ATOM 0 H ILE A 48 6.222 10.506 1.490 1.00 64.34 H new ATOM 0 HA ILE A 48 5.435 12.752 -0.026 1.00 44.04 H new ATOM 0 HB ILE A 48 4.702 11.988 2.843 1.00 73.33 H new ATOM 0 HG12 ILE A 48 3.046 11.290 0.387 1.00 3.23 H new ATOM 0 HG13 ILE A 48 4.344 10.234 0.907 1.00 3.23 H new ATOM 0 HG21 ILE A 48 2.586 13.244 2.399 1.00 23.52 H new ATOM 0 HG22 ILE A 48 4.016 14.295 2.274 1.00 23.52 H new ATOM 0 HG23 ILE A 48 3.210 13.709 0.799 1.00 23.52 H new ATOM 0 HD11 ILE A 48 2.187 9.457 1.759 1.00 74.45 H new ATOM 0 HD12 ILE A 48 3.247 9.944 3.103 1.00 74.45 H new ATOM 0 HD13 ILE A 48 1.929 11.017 2.575 1.00 74.45 H new ATOM 772 N LYS A 49 7.424 13.352 2.569 1.00 0.13 N ATOM 773 CA LYS A 49 8.216 14.396 3.254 1.00 33.13 C ATOM 774 C LYS A 49 9.316 14.977 2.330 1.00 52.20 C ATOM 775 O LYS A 49 9.705 16.147 2.474 1.00 64.01 O ATOM 776 CB LYS A 49 8.808 13.881 4.594 1.00 20.11 C ATOM 777 CG LYS A 49 9.386 15.018 5.475 1.00 75.45 C ATOM 778 CD LYS A 49 9.721 14.572 6.918 1.00 12.12 C ATOM 779 CE LYS A 49 10.183 15.748 7.795 1.00 53.04 C ATOM 780 NZ LYS A 49 10.482 15.320 9.188 1.00 2.42 N ATOM 0 H LYS A 49 7.626 12.402 2.879 1.00 0.13 H new ATOM 0 HA LYS A 49 7.533 15.211 3.496 1.00 33.13 H new ATOM 0 HB2 LYS A 49 8.031 13.356 5.150 1.00 20.11 H new ATOM 0 HB3 LYS A 49 9.594 13.156 4.383 1.00 20.11 H new ATOM 0 HG2 LYS A 49 10.289 15.408 5.005 1.00 75.45 H new ATOM 0 HG3 LYS A 49 8.668 15.837 5.514 1.00 75.45 H new ATOM 0 HD2 LYS A 49 8.842 14.109 7.367 1.00 12.12 H new ATOM 0 HD3 LYS A 49 10.502 13.812 6.890 1.00 12.12 H new ATOM 0 HE2 LYS A 49 11.072 16.200 7.356 1.00 53.04 H new ATOM 0 HE3 LYS A 49 9.409 16.515 7.810 1.00 53.04 H new ATOM 0 HZ1 LYS A 49 10.790 16.142 9.745 1.00 2.42 H new ATOM 0 HZ2 LYS A 49 9.627 14.912 9.617 1.00 2.42 H new ATOM 0 HZ3 LYS A 49 11.239 14.606 9.177 1.00 2.42 H new ATOM 794 N LYS A 50 9.808 14.158 1.383 1.00 44.24 N ATOM 795 CA LYS A 50 10.731 14.631 0.321 1.00 32.24 C ATOM 796 C LYS A 50 9.947 15.416 -0.758 1.00 5.24 C ATOM 797 O LYS A 50 10.335 16.523 -1.149 1.00 3.32 O ATOM 798 CB LYS A 50 11.517 13.443 -0.326 1.00 3.54 C ATOM 799 CG LYS A 50 12.779 12.978 0.442 1.00 72.31 C ATOM 800 CD LYS A 50 12.468 12.346 1.817 1.00 70.50 C ATOM 801 CE LYS A 50 13.732 11.928 2.579 1.00 43.22 C ATOM 802 NZ LYS A 50 13.404 11.338 3.903 1.00 71.12 N ATOM 0 H LYS A 50 9.585 13.164 1.327 1.00 44.24 H new ATOM 0 HA LYS A 50 11.461 15.296 0.782 1.00 32.24 H new ATOM 0 HB2 LYS A 50 10.840 12.594 -0.425 1.00 3.54 H new ATOM 0 HB3 LYS A 50 11.813 13.733 -1.334 1.00 3.54 H new ATOM 0 HG2 LYS A 50 13.319 12.254 -0.168 1.00 72.31 H new ATOM 0 HG3 LYS A 50 13.442 13.831 0.585 1.00 72.31 H new ATOM 0 HD2 LYS A 50 11.905 13.058 2.420 1.00 70.50 H new ATOM 0 HD3 LYS A 50 11.830 11.474 1.675 1.00 70.50 H new ATOM 0 HE2 LYS A 50 14.292 11.204 1.986 1.00 43.22 H new ATOM 0 HE3 LYS A 50 14.378 12.795 2.717 1.00 43.22 H new ATOM 0 HZ1 LYS A 50 14.048 11.723 4.624 1.00 71.12 H new ATOM 0 HZ2 LYS A 50 12.423 11.573 4.154 1.00 71.12 H new ATOM 0 HZ3 LYS A 50 13.512 10.305 3.859 1.00 71.12 H new ATOM 816 N GLN A 51 8.823 14.833 -1.193 1.00 61.22 N ATOM 817 CA GLN A 51 7.975 15.357 -2.279 1.00 55.33 C ATOM 818 C GLN A 51 6.529 14.893 -2.046 1.00 53.23 C ATOM 819 O GLN A 51 6.290 13.691 -1.914 1.00 12.33 O ATOM 820 CB GLN A 51 8.477 14.829 -3.657 1.00 74.22 C ATOM 821 CG GLN A 51 7.566 15.189 -4.856 1.00 41.23 C ATOM 822 CD GLN A 51 7.502 16.683 -5.180 1.00 61.01 C ATOM 823 OE1 GLN A 51 8.486 17.404 -5.037 1.00 1.14 O ATOM 824 NE2 GLN A 51 6.331 17.164 -5.589 1.00 32.30 N ATOM 0 H GLN A 51 8.467 13.965 -0.793 1.00 61.22 H new ATOM 0 HA GLN A 51 8.023 16.446 -2.284 1.00 55.33 H new ATOM 0 HB2 GLN A 51 9.474 15.228 -3.843 1.00 74.22 H new ATOM 0 HB3 GLN A 51 8.572 13.745 -3.603 1.00 74.22 H new ATOM 0 HG2 GLN A 51 7.919 14.654 -5.738 1.00 41.23 H new ATOM 0 HG3 GLN A 51 6.557 14.832 -4.649 1.00 41.23 H new ATOM 0 HE21 GLN A 51 5.533 16.539 -5.698 1.00 32.30 H new ATOM 0 HE22 GLN A 51 6.232 18.158 -5.794 1.00 32.30 H new ATOM 833 N GLY A 52 5.573 15.841 -2.001 1.00 2.53 N ATOM 834 CA GLY A 52 4.152 15.512 -1.839 1.00 51.12 C ATOM 835 C GLY A 52 3.619 14.662 -2.995 1.00 0.44 C ATOM 836 O GLY A 52 3.225 15.199 -4.040 1.00 72.45 O ATOM 0 H GLY A 52 5.764 16.840 -2.075 1.00 2.53 H new ATOM 0 HA2 GLY A 52 4.010 14.976 -0.901 1.00 51.12 H new ATOM 0 HA3 GLY A 52 3.573 16.433 -1.771 1.00 51.12 H new ATOM 840 N CYS A 53 3.668 13.324 -2.829 1.00 43.01 N ATOM 841 CA CYS A 53 3.087 12.377 -3.787 1.00 1.01 C ATOM 842 C CYS A 53 1.562 12.368 -3.596 1.00 72.24 C ATOM 843 O CYS A 53 1.019 11.637 -2.756 1.00 32.24 O ATOM 844 CB CYS A 53 3.722 10.971 -3.616 1.00 54.24 C ATOM 845 SG CYS A 53 3.616 10.283 -1.949 1.00 43.22 S ATOM 0 H CYS A 53 4.112 12.876 -2.027 1.00 43.01 H new ATOM 0 HA CYS A 53 3.303 12.684 -4.810 1.00 1.01 H new ATOM 0 HB2 CYS A 53 3.237 10.283 -4.308 1.00 54.24 H new ATOM 0 HB3 CYS A 53 4.772 11.025 -3.904 1.00 54.24 H new ATOM 0 HG CYS A 53 2.431 10.505 -1.462 1.00 43.22 H new ATOM 851 N LYS A 54 0.891 13.267 -4.354 1.00 50.45 N ATOM 852 CA LYS A 54 -0.559 13.508 -4.241 1.00 70.52 C ATOM 853 C LYS A 54 -1.379 12.353 -4.857 1.00 63.14 C ATOM 854 O LYS A 54 -2.599 12.285 -4.690 1.00 12.31 O ATOM 855 CB LYS A 54 -0.928 14.885 -4.874 1.00 73.53 C ATOM 856 CG LYS A 54 -0.958 14.938 -6.426 1.00 23.25 C ATOM 857 CD LYS A 54 -1.045 16.382 -6.999 1.00 73.12 C ATOM 858 CE LYS A 54 -2.083 17.284 -6.298 1.00 23.23 C ATOM 859 NZ LYS A 54 -3.465 16.723 -6.320 1.00 35.22 N ATOM 0 H LYS A 54 1.345 13.845 -5.061 1.00 50.45 H new ATOM 0 HA LYS A 54 -0.818 13.542 -3.183 1.00 70.52 H new ATOM 0 HB2 LYS A 54 -1.908 15.182 -4.502 1.00 73.53 H new ATOM 0 HB3 LYS A 54 -0.214 15.628 -4.519 1.00 73.53 H new ATOM 0 HG2 LYS A 54 -0.061 14.455 -6.815 1.00 23.25 H new ATOM 0 HG3 LYS A 54 -1.811 14.362 -6.784 1.00 23.25 H new ATOM 0 HD2 LYS A 54 -0.064 16.850 -6.922 1.00 73.12 H new ATOM 0 HD3 LYS A 54 -1.289 16.325 -8.060 1.00 73.12 H new ATOM 0 HE2 LYS A 54 -1.778 17.440 -5.263 1.00 23.23 H new ATOM 0 HE3 LYS A 54 -2.088 18.262 -6.779 1.00 23.23 H new ATOM 0 HZ1 LYS A 54 -4.093 17.323 -5.748 1.00 35.22 H new ATOM 0 HZ2 LYS A 54 -3.812 16.694 -7.300 1.00 35.22 H new ATOM 0 HZ3 LYS A 54 -3.455 15.760 -5.928 1.00 35.22 H new ATOM 873 N ARG A 55 -0.691 11.461 -5.579 1.00 53.40 N ATOM 874 CA ARG A 55 -1.256 10.204 -6.082 1.00 42.23 C ATOM 875 C ARG A 55 -0.276 9.074 -5.757 1.00 21.14 C ATOM 876 O ARG A 55 0.863 9.098 -6.187 1.00 25.33 O ATOM 877 CB ARG A 55 -1.510 10.286 -7.614 1.00 44.43 C ATOM 878 CG ARG A 55 -2.081 8.989 -8.253 1.00 74.22 C ATOM 879 CD ARG A 55 -2.276 9.113 -9.772 1.00 11.00 C ATOM 880 NE ARG A 55 -2.811 7.880 -10.375 1.00 41.35 N ATOM 881 CZ ARG A 55 -3.059 7.705 -11.688 1.00 73.21 C ATOM 882 NH1 ARG A 55 -2.831 8.681 -12.569 1.00 55.42 N ATOM 883 NH2 ARG A 55 -3.520 6.539 -12.117 1.00 45.00 N ATOM 0 H ARG A 55 0.288 11.594 -5.834 1.00 53.40 H new ATOM 0 HA ARG A 55 -2.216 10.013 -5.603 1.00 42.23 H new ATOM 0 HB2 ARG A 55 -2.202 11.105 -7.810 1.00 44.43 H new ATOM 0 HB3 ARG A 55 -0.572 10.536 -8.110 1.00 44.43 H new ATOM 0 HG2 ARG A 55 -1.407 8.158 -8.044 1.00 74.22 H new ATOM 0 HG3 ARG A 55 -3.036 8.749 -7.786 1.00 74.22 H new ATOM 0 HD2 ARG A 55 -2.954 9.940 -9.982 1.00 11.00 H new ATOM 0 HD3 ARG A 55 -1.322 9.357 -10.239 1.00 11.00 H new ATOM 0 HE ARG A 55 -3.009 7.098 -9.750 1.00 41.35 H new ATOM 0 HH11 ARG A 55 -2.463 9.578 -12.252 1.00 55.42 H new ATOM 0 HH12 ARG A 55 -3.025 8.530 -13.559 1.00 55.42 H new ATOM 0 HH21 ARG A 55 -3.685 5.781 -11.455 1.00 45.00 H new ATOM 0 HH22 ARG A 55 -3.710 6.400 -13.109 1.00 45.00 H new ATOM 897 N VAL A 56 -0.724 8.109 -4.972 1.00 55.32 N ATOM 898 CA VAL A 56 0.034 6.896 -4.654 1.00 71.14 C ATOM 899 C VAL A 56 -0.661 5.731 -5.362 1.00 60.32 C ATOM 900 O VAL A 56 -1.880 5.752 -5.540 1.00 1.42 O ATOM 901 CB VAL A 56 0.097 6.669 -3.096 1.00 4.03 C ATOM 902 CG1 VAL A 56 0.875 5.392 -2.716 1.00 51.51 C ATOM 903 CG2 VAL A 56 0.691 7.908 -2.381 1.00 22.14 C ATOM 0 H VAL A 56 -1.641 8.141 -4.526 1.00 55.32 H new ATOM 0 HA VAL A 56 1.065 6.982 -4.996 1.00 71.14 H new ATOM 0 HB VAL A 56 -0.929 6.528 -2.756 1.00 4.03 H new ATOM 0 HG11 VAL A 56 0.888 5.283 -1.632 1.00 51.51 H new ATOM 0 HG12 VAL A 56 0.390 4.524 -3.162 1.00 51.51 H new ATOM 0 HG13 VAL A 56 1.898 5.465 -3.086 1.00 51.51 H new ATOM 0 HG21 VAL A 56 0.724 7.727 -1.307 1.00 22.14 H new ATOM 0 HG22 VAL A 56 1.700 8.092 -2.749 1.00 22.14 H new ATOM 0 HG23 VAL A 56 0.067 8.779 -2.583 1.00 22.14 H new ATOM 913 N LYS A 57 0.117 4.748 -5.810 1.00 12.31 N ATOM 914 CA LYS A 57 -0.391 3.595 -6.566 1.00 61.14 C ATOM 915 C LYS A 57 0.265 2.329 -6.025 1.00 4.51 C ATOM 916 O LYS A 57 1.458 2.306 -5.760 1.00 55.40 O ATOM 917 CB LYS A 57 -0.097 3.780 -8.081 1.00 14.43 C ATOM 918 CG LYS A 57 -1.044 4.772 -8.814 1.00 24.01 C ATOM 919 CD LYS A 57 -0.511 5.302 -10.174 1.00 11.33 C ATOM 920 CE LYS A 57 0.054 4.230 -11.136 1.00 51.21 C ATOM 921 NZ LYS A 57 1.424 3.775 -10.756 1.00 34.24 N ATOM 0 H LYS A 57 1.126 4.725 -5.660 1.00 12.31 H new ATOM 0 HA LYS A 57 -1.471 3.513 -6.448 1.00 61.14 H new ATOM 0 HB2 LYS A 57 0.930 4.127 -8.198 1.00 14.43 H new ATOM 0 HB3 LYS A 57 -0.163 2.808 -8.571 1.00 14.43 H new ATOM 0 HG2 LYS A 57 -2.002 4.280 -8.983 1.00 24.01 H new ATOM 0 HG3 LYS A 57 -1.234 5.622 -8.159 1.00 24.01 H new ATOM 0 HD2 LYS A 57 -1.320 5.828 -10.680 1.00 11.33 H new ATOM 0 HD3 LYS A 57 0.271 6.035 -9.976 1.00 11.33 H new ATOM 0 HE2 LYS A 57 -0.618 3.372 -11.151 1.00 51.21 H new ATOM 0 HE3 LYS A 57 0.078 4.633 -12.148 1.00 51.21 H new ATOM 0 HZ1 LYS A 57 2.025 3.736 -11.604 1.00 34.24 H new ATOM 0 HZ2 LYS A 57 1.834 4.442 -10.072 1.00 34.24 H new ATOM 0 HZ3 LYS A 57 1.369 2.829 -10.327 1.00 34.24 H new ATOM 935 N ILE A 58 -0.541 1.302 -5.820 1.00 61.04 N ATOM 936 CA ILE A 58 -0.101 -0.022 -5.356 1.00 21.42 C ATOM 937 C ILE A 58 -0.910 -1.047 -6.145 1.00 13.21 C ATOM 938 O ILE A 58 -2.125 -0.951 -6.184 1.00 52.04 O ATOM 939 CB ILE A 58 -0.329 -0.212 -3.791 1.00 62.40 C ATOM 940 CG1 ILE A 58 0.613 0.735 -2.971 1.00 21.34 C ATOM 941 CG2 ILE A 58 -0.151 -1.693 -3.349 1.00 33.50 C ATOM 942 CD1 ILE A 58 0.411 0.706 -1.464 1.00 72.51 C ATOM 0 H ILE A 58 -1.548 1.357 -5.973 1.00 61.04 H new ATOM 0 HA ILE A 58 0.970 -0.142 -5.521 1.00 21.42 H new ATOM 0 HB ILE A 58 -1.362 0.063 -3.580 1.00 62.40 H new ATOM 0 HG12 ILE A 58 1.647 0.468 -3.188 1.00 21.34 H new ATOM 0 HG13 ILE A 58 0.468 1.757 -3.321 1.00 21.34 H new ATOM 0 HG21 ILE A 58 -0.316 -1.774 -2.275 1.00 33.50 H new ATOM 0 HG22 ILE A 58 -0.872 -2.319 -3.875 1.00 33.50 H new ATOM 0 HG23 ILE A 58 0.860 -2.025 -3.587 1.00 33.50 H new ATOM 0 HD11 ILE A 58 1.110 1.395 -0.990 1.00 72.51 H new ATOM 0 HD12 ILE A 58 -0.610 1.006 -1.228 1.00 72.51 H new ATOM 0 HD13 ILE A 58 0.588 -0.303 -1.093 1.00 72.51 H new ATOM 954 N ARG A 59 -0.245 -1.998 -6.799 1.00 21.12 N ATOM 955 CA ARG A 59 -0.936 -3.096 -7.506 1.00 72.20 C ATOM 956 C ARG A 59 -0.272 -4.427 -7.143 1.00 1.03 C ATOM 957 O ARG A 59 0.908 -4.471 -6.778 1.00 24.31 O ATOM 958 CB ARG A 59 -0.987 -2.861 -9.045 1.00 55.24 C ATOM 959 CG ARG A 59 0.347 -3.030 -9.800 1.00 62.31 C ATOM 960 CD ARG A 59 0.207 -2.782 -11.317 1.00 64.12 C ATOM 961 NE ARG A 59 -0.862 -3.614 -11.914 1.00 61.22 N ATOM 962 CZ ARG A 59 -1.965 -3.139 -12.518 1.00 55.02 C ATOM 963 NH1 ARG A 59 -2.169 -1.829 -12.624 1.00 65.55 N ATOM 964 NH2 ARG A 59 -2.877 -3.977 -12.982 1.00 31.03 N ATOM 0 H ARG A 59 0.772 -2.038 -6.859 1.00 21.12 H new ATOM 0 HA ARG A 59 -1.976 -3.126 -7.180 1.00 72.20 H new ATOM 0 HB2 ARG A 59 -1.714 -3.551 -9.474 1.00 55.24 H new ATOM 0 HB3 ARG A 59 -1.359 -1.853 -9.226 1.00 55.24 H new ATOM 0 HG2 ARG A 59 1.083 -2.339 -9.389 1.00 62.31 H new ATOM 0 HG3 ARG A 59 0.729 -4.037 -9.634 1.00 62.31 H new ATOM 0 HD2 ARG A 59 -0.010 -1.729 -11.495 1.00 64.12 H new ATOM 0 HD3 ARG A 59 1.155 -2.999 -11.810 1.00 64.12 H new ATOM 0 HE ARG A 59 -0.753 -4.627 -11.863 1.00 61.22 H new ATOM 0 HH11 ARG A 59 -1.485 -1.174 -12.245 1.00 65.55 H new ATOM 0 HH12 ARG A 59 -3.009 -1.479 -13.084 1.00 65.55 H new ATOM 0 HH21 ARG A 59 -2.743 -4.983 -12.881 1.00 31.03 H new ATOM 0 HH22 ARG A 59 -3.714 -3.617 -13.440 1.00 31.03 H new ATOM 978 N PHE A 60 -1.053 -5.498 -7.228 1.00 1.12 N ATOM 979 CA PHE A 60 -0.683 -6.811 -6.699 1.00 2.41 C ATOM 980 C PHE A 60 -1.529 -7.881 -7.400 1.00 40.42 C ATOM 981 O PHE A 60 -2.706 -7.654 -7.639 1.00 32.31 O ATOM 982 CB PHE A 60 -0.939 -6.812 -5.161 1.00 35.22 C ATOM 983 CG PHE A 60 -0.812 -8.194 -4.511 1.00 40.10 C ATOM 984 CD1 PHE A 60 0.415 -8.844 -4.456 1.00 21.23 C ATOM 985 CD2 PHE A 60 -1.928 -8.864 -4.009 1.00 61.43 C ATOM 986 CE1 PHE A 60 0.529 -10.110 -3.918 1.00 12.04 C ATOM 987 CE2 PHE A 60 -1.812 -10.133 -3.478 1.00 54.34 C ATOM 988 CZ PHE A 60 -0.586 -10.754 -3.430 1.00 72.14 C ATOM 0 H PHE A 60 -1.972 -5.482 -7.671 1.00 1.12 H new ATOM 0 HA PHE A 60 0.370 -7.027 -6.881 1.00 2.41 H new ATOM 0 HB2 PHE A 60 -0.233 -6.131 -4.685 1.00 35.22 H new ATOM 0 HB3 PHE A 60 -1.938 -6.421 -4.969 1.00 35.22 H new ATOM 0 HD1 PHE A 60 1.295 -8.350 -4.841 1.00 21.23 H new ATOM 0 HD2 PHE A 60 -2.895 -8.384 -4.036 1.00 61.43 H new ATOM 0 HE1 PHE A 60 1.493 -10.596 -3.880 1.00 12.04 H new ATOM 0 HE2 PHE A 60 -2.687 -10.640 -3.099 1.00 54.34 H new ATOM 0 HZ PHE A 60 -0.498 -11.745 -3.010 1.00 72.14 H new ATOM 998 N GLU A 61 -0.935 -9.045 -7.703 1.00 11.03 N ATOM 999 CA GLU A 61 -1.639 -10.146 -8.389 1.00 1.35 C ATOM 1000 C GLU A 61 -2.734 -10.744 -7.491 1.00 65.42 C ATOM 1001 O GLU A 61 -2.457 -11.203 -6.381 1.00 13.41 O ATOM 1002 CB GLU A 61 -0.664 -11.268 -8.838 1.00 43.23 C ATOM 1003 CG GLU A 61 0.272 -10.903 -10.008 1.00 22.42 C ATOM 1004 CD GLU A 61 1.329 -9.854 -9.646 1.00 53.21 C ATOM 1005 OE1 GLU A 61 2.361 -10.231 -9.064 1.00 22.00 O ATOM 1006 OE2 GLU A 61 1.140 -8.659 -9.943 1.00 61.32 O ATOM 0 H GLU A 61 0.039 -9.252 -7.483 1.00 11.03 H new ATOM 0 HA GLU A 61 -2.099 -9.718 -9.279 1.00 1.35 H new ATOM 0 HB2 GLU A 61 -0.053 -11.558 -7.983 1.00 43.23 H new ATOM 0 HB3 GLU A 61 -1.250 -12.142 -9.123 1.00 43.23 H new ATOM 0 HG2 GLU A 61 0.773 -11.806 -10.356 1.00 22.42 H new ATOM 0 HG3 GLU A 61 -0.327 -10.531 -10.839 1.00 22.42 H new ATOM 1013 N LYS A 62 -3.971 -10.734 -7.999 1.00 43.12 N ATOM 1014 CA LYS A 62 -5.147 -11.246 -7.282 1.00 14.33 C ATOM 1015 C LYS A 62 -5.648 -12.530 -7.986 1.00 30.22 C ATOM 1016 O LYS A 62 -6.749 -12.563 -8.542 1.00 33.51 O ATOM 1017 CB LYS A 62 -6.256 -10.127 -7.196 1.00 4.14 C ATOM 1018 CG LYS A 62 -6.962 -10.014 -5.821 1.00 52.24 C ATOM 1019 CD LYS A 62 -7.733 -11.281 -5.380 1.00 51.03 C ATOM 1020 CE LYS A 62 -9.129 -11.419 -6.019 1.00 63.43 C ATOM 1021 NZ LYS A 62 -9.109 -11.585 -7.504 1.00 34.04 N ATOM 0 H LYS A 62 -4.187 -10.368 -8.926 1.00 43.12 H new ATOM 0 HA LYS A 62 -4.886 -11.509 -6.257 1.00 14.33 H new ATOM 0 HB2 LYS A 62 -5.801 -9.166 -7.435 1.00 4.14 H new ATOM 0 HB3 LYS A 62 -7.009 -10.322 -7.960 1.00 4.14 H new ATOM 0 HG2 LYS A 62 -6.215 -9.779 -5.063 1.00 52.24 H new ATOM 0 HG3 LYS A 62 -7.658 -9.176 -5.854 1.00 52.24 H new ATOM 0 HD2 LYS A 62 -7.141 -12.161 -5.632 1.00 51.03 H new ATOM 0 HD3 LYS A 62 -7.841 -11.269 -4.295 1.00 51.03 H new ATOM 0 HE2 LYS A 62 -9.636 -12.276 -5.576 1.00 63.43 H new ATOM 0 HE3 LYS A 62 -9.719 -10.536 -5.771 1.00 63.43 H new ATOM 0 HZ1 LYS A 62 -9.988 -12.047 -7.814 1.00 34.04 H new ATOM 0 HZ2 LYS A 62 -9.031 -10.652 -7.957 1.00 34.04 H new ATOM 0 HZ3 LYS A 62 -8.295 -12.171 -7.777 1.00 34.04 H new ATOM 1035 N LYS A 63 -4.798 -13.576 -7.965 1.00 22.01 N ATOM 1036 CA LYS A 63 -5.115 -14.914 -8.517 1.00 15.53 C ATOM 1037 C LYS A 63 -3.978 -15.891 -8.147 1.00 45.44 C ATOM 1038 O LYS A 63 -2.810 -15.486 -8.112 1.00 51.04 O ATOM 1039 CB LYS A 63 -5.301 -14.856 -10.066 1.00 73.13 C ATOM 1040 CG LYS A 63 -5.752 -16.180 -10.734 1.00 54.52 C ATOM 1041 CD LYS A 63 -5.917 -16.092 -12.277 1.00 34.42 C ATOM 1042 CE LYS A 63 -7.040 -15.135 -12.746 1.00 12.20 C ATOM 1043 NZ LYS A 63 -6.665 -13.696 -12.643 1.00 1.22 N ATOM 0 H LYS A 63 -3.863 -13.518 -7.561 1.00 22.01 H new ATOM 0 HA LYS A 63 -6.055 -15.262 -8.087 1.00 15.53 H new ATOM 0 HB2 LYS A 63 -6.035 -14.084 -10.298 1.00 73.13 H new ATOM 0 HB3 LYS A 63 -4.358 -14.545 -10.516 1.00 73.13 H new ATOM 0 HG2 LYS A 63 -5.024 -16.957 -10.502 1.00 54.52 H new ATOM 0 HG3 LYS A 63 -6.701 -16.490 -10.296 1.00 54.52 H new ATOM 0 HD2 LYS A 63 -4.973 -15.766 -12.713 1.00 34.42 H new ATOM 0 HD3 LYS A 63 -6.120 -17.090 -12.666 1.00 34.42 H new ATOM 0 HE2 LYS A 63 -7.296 -15.364 -13.781 1.00 12.20 H new ATOM 0 HE3 LYS A 63 -7.934 -15.315 -12.149 1.00 12.20 H new ATOM 0 HZ1 LYS A 63 -7.137 -13.272 -11.819 1.00 1.22 H new ATOM 0 HZ2 LYS A 63 -5.634 -13.613 -12.532 1.00 1.22 H new ATOM 0 HZ3 LYS A 63 -6.962 -13.197 -13.506 1.00 1.22 H new ATOM 1057 N GLY A 64 -4.333 -17.157 -7.857 1.00 43.43 N ATOM 1058 CA GLY A 64 -3.356 -18.185 -7.468 1.00 33.34 C ATOM 1059 C GLY A 64 -2.824 -18.004 -6.049 1.00 42.42 C ATOM 1060 O GLY A 64 -1.811 -18.607 -5.678 1.00 74.43 O ATOM 0 H GLY A 64 -5.296 -17.491 -7.886 1.00 43.43 H new ATOM 0 HA2 GLY A 64 -3.820 -19.168 -7.552 1.00 33.34 H new ATOM 0 HA3 GLY A 64 -2.520 -18.166 -8.167 1.00 33.34 H new ATOM 1064 N LEU A 65 -3.520 -17.170 -5.257 1.00 1.34 N ATOM 1065 CA LEU A 65 -3.163 -16.893 -3.861 1.00 2.43 C ATOM 1066 C LEU A 65 -3.762 -17.995 -2.957 1.00 32.52 C ATOM 1067 O LEU A 65 -3.072 -18.951 -2.597 1.00 0.50 O ATOM 1068 CB LEU A 65 -3.694 -15.477 -3.444 1.00 22.03 C ATOM 1069 CG LEU A 65 -3.431 -14.300 -4.439 1.00 5.54 C ATOM 1070 CD1 LEU A 65 -4.068 -12.996 -3.918 1.00 65.13 C ATOM 1071 CD2 LEU A 65 -1.924 -14.118 -4.730 1.00 71.12 C ATOM 0 H LEU A 65 -4.350 -16.668 -5.572 1.00 1.34 H new ATOM 0 HA LEU A 65 -2.079 -16.894 -3.748 1.00 2.43 H new ATOM 0 HB2 LEU A 65 -4.770 -15.552 -3.284 1.00 22.03 H new ATOM 0 HB3 LEU A 65 -3.247 -15.216 -2.485 1.00 22.03 H new ATOM 0 HG LEU A 65 -3.906 -14.554 -5.387 1.00 5.54 H new ATOM 0 HD11 LEU A 65 -3.874 -12.189 -4.624 1.00 65.13 H new ATOM 0 HD12 LEU A 65 -5.144 -13.134 -3.811 1.00 65.13 H new ATOM 0 HD13 LEU A 65 -3.637 -12.742 -2.950 1.00 65.13 H new ATOM 0 HD21 LEU A 65 -1.785 -13.290 -5.425 1.00 71.12 H new ATOM 0 HD22 LEU A 65 -1.397 -13.903 -3.800 1.00 71.12 H new ATOM 0 HD23 LEU A 65 -1.525 -15.032 -5.170 1.00 71.12 H new ATOM 1083 N ASP A 66 -5.078 -17.861 -2.702 1.00 13.12 N ATOM 1084 CA ASP A 66 -5.893 -18.677 -1.766 1.00 14.33 C ATOM 1085 C ASP A 66 -7.112 -17.819 -1.394 1.00 3.14 C ATOM 1086 O ASP A 66 -7.065 -16.606 -1.578 1.00 23.44 O ATOM 1087 CB ASP A 66 -5.108 -19.091 -0.475 1.00 52.32 C ATOM 1088 CG ASP A 66 -5.926 -19.882 0.555 1.00 55.00 C ATOM 1089 OD1 ASP A 66 -6.444 -20.969 0.217 1.00 55.33 O ATOM 1090 OD2 ASP A 66 -6.073 -19.410 1.698 1.00 33.20 O ATOM 0 H ASP A 66 -5.636 -17.144 -3.166 1.00 13.12 H new ATOM 0 HA ASP A 66 -6.177 -19.612 -2.249 1.00 14.33 H new ATOM 0 HB2 ASP A 66 -4.245 -19.689 -0.768 1.00 52.32 H new ATOM 0 HB3 ASP A 66 -4.723 -18.190 0.003 1.00 52.32 H new ATOM 1095 N ASP A 67 -8.191 -18.435 -0.872 1.00 1.21 N ATOM 1096 CA ASP A 67 -9.409 -17.691 -0.464 1.00 33.32 C ATOM 1097 C ASP A 67 -9.136 -16.836 0.804 1.00 4.02 C ATOM 1098 O ASP A 67 -9.613 -15.703 0.907 1.00 64.45 O ATOM 1099 CB ASP A 67 -10.612 -18.654 -0.244 1.00 42.41 C ATOM 1100 CG ASP A 67 -10.421 -19.631 0.933 1.00 3.44 C ATOM 1101 OD1 ASP A 67 -9.660 -20.609 0.787 1.00 61.34 O ATOM 1102 OD2 ASP A 67 -11.021 -19.420 2.015 1.00 41.12 O ATOM 0 H ASP A 67 -8.248 -19.442 -0.722 1.00 1.21 H new ATOM 0 HA ASP A 67 -9.675 -17.014 -1.276 1.00 33.32 H new ATOM 0 HB2 ASP A 67 -11.511 -18.063 -0.071 1.00 42.41 H new ATOM 0 HB3 ASP A 67 -10.778 -19.227 -1.156 1.00 42.41 H new ATOM 1107 N ASP A 68 -8.359 -17.385 1.762 1.00 20.13 N ATOM 1108 CA ASP A 68 -7.967 -16.655 2.989 1.00 23.24 C ATOM 1109 C ASP A 68 -6.933 -15.566 2.649 1.00 34.34 C ATOM 1110 O ASP A 68 -7.083 -14.411 3.065 1.00 32.11 O ATOM 1111 CB ASP A 68 -7.409 -17.635 4.057 1.00 41.25 C ATOM 1112 CG ASP A 68 -7.040 -16.941 5.382 1.00 44.14 C ATOM 1113 OD1 ASP A 68 -7.949 -16.700 6.209 1.00 31.41 O ATOM 1114 OD2 ASP A 68 -5.847 -16.621 5.610 1.00 51.22 O ATOM 0 H ASP A 68 -7.989 -18.334 1.710 1.00 20.13 H new ATOM 0 HA ASP A 68 -8.851 -16.174 3.407 1.00 23.24 H new ATOM 0 HB2 ASP A 68 -8.151 -18.409 4.254 1.00 41.25 H new ATOM 0 HB3 ASP A 68 -6.526 -18.134 3.657 1.00 41.25 H new ATOM 1119 N ALA A 69 -5.906 -15.955 1.865 1.00 54.11 N ATOM 1120 CA ALA A 69 -4.834 -15.043 1.399 1.00 5.15 C ATOM 1121 C ALA A 69 -5.372 -13.881 0.537 1.00 62.11 C ATOM 1122 O ALA A 69 -4.783 -12.803 0.509 1.00 4.11 O ATOM 1123 CB ALA A 69 -3.779 -15.825 0.618 1.00 63.55 C ATOM 0 H ALA A 69 -5.794 -16.914 1.535 1.00 54.11 H new ATOM 0 HA ALA A 69 -4.385 -14.602 2.289 1.00 5.15 H new ATOM 0 HB1 ALA A 69 -2.997 -15.144 0.281 1.00 63.55 H new ATOM 0 HB2 ALA A 69 -3.343 -16.589 1.261 1.00 63.55 H new ATOM 0 HB3 ALA A 69 -4.244 -16.300 -0.246 1.00 63.55 H new ATOM 1129 N ARG A 70 -6.483 -14.142 -0.177 1.00 63.20 N ATOM 1130 CA ARG A 70 -7.207 -13.144 -0.989 1.00 35.33 C ATOM 1131 C ARG A 70 -7.644 -11.965 -0.103 1.00 70.33 C ATOM 1132 O ARG A 70 -7.386 -10.802 -0.421 1.00 52.01 O ATOM 1133 CB ARG A 70 -8.429 -13.863 -1.658 1.00 34.44 C ATOM 1134 CG ARG A 70 -9.326 -13.045 -2.630 1.00 54.31 C ATOM 1135 CD ARG A 70 -10.380 -12.144 -1.946 1.00 24.31 C ATOM 1136 NE ARG A 70 -11.381 -11.633 -2.906 1.00 45.40 N ATOM 1137 CZ ARG A 70 -12.685 -11.941 -2.888 1.00 41.35 C ATOM 1138 NH1 ARG A 70 -13.185 -12.758 -1.973 1.00 1.10 N ATOM 1139 NH2 ARG A 70 -13.487 -11.414 -3.778 1.00 3.21 N ATOM 0 H ARG A 70 -6.910 -15.068 -0.207 1.00 63.20 H new ATOM 0 HA ARG A 70 -6.567 -12.733 -1.770 1.00 35.33 H new ATOM 0 HB2 ARG A 70 -8.048 -14.726 -2.204 1.00 34.44 H new ATOM 0 HB3 ARG A 70 -9.066 -14.246 -0.861 1.00 34.44 H new ATOM 0 HG2 ARG A 70 -8.685 -12.420 -3.253 1.00 54.31 H new ATOM 0 HG3 ARG A 70 -9.840 -13.738 -3.296 1.00 54.31 H new ATOM 0 HD2 ARG A 70 -10.885 -12.708 -1.162 1.00 24.31 H new ATOM 0 HD3 ARG A 70 -9.880 -11.305 -1.463 1.00 24.31 H new ATOM 0 HE ARG A 70 -11.055 -10.999 -3.636 1.00 45.40 H new ATOM 0 HH11 ARG A 70 -12.574 -13.165 -1.265 1.00 1.10 H new ATOM 0 HH12 ARG A 70 -14.181 -12.980 -1.977 1.00 1.10 H new ATOM 0 HH21 ARG A 70 -13.118 -10.773 -4.480 1.00 3.21 H new ATOM 0 HH22 ARG A 70 -14.481 -11.645 -3.769 1.00 3.21 H new ATOM 1153 N LYS A 71 -8.303 -12.313 1.014 1.00 13.21 N ATOM 1154 CA LYS A 71 -8.861 -11.342 1.966 1.00 32.23 C ATOM 1155 C LYS A 71 -7.752 -10.695 2.819 1.00 20.53 C ATOM 1156 O LYS A 71 -7.879 -9.538 3.226 1.00 12.24 O ATOM 1157 CB LYS A 71 -9.922 -12.036 2.853 1.00 30.11 C ATOM 1158 CG LYS A 71 -10.707 -11.080 3.776 1.00 13.13 C ATOM 1159 CD LYS A 71 -11.878 -11.782 4.502 1.00 5.41 C ATOM 1160 CE LYS A 71 -12.689 -10.811 5.367 1.00 65.33 C ATOM 1161 NZ LYS A 71 -13.832 -11.489 6.032 1.00 43.31 N ATOM 0 H LYS A 71 -8.464 -13.284 1.283 1.00 13.21 H new ATOM 0 HA LYS A 71 -9.343 -10.539 1.408 1.00 32.23 H new ATOM 0 HB2 LYS A 71 -10.628 -12.561 2.210 1.00 30.11 H new ATOM 0 HB3 LYS A 71 -9.428 -12.790 3.467 1.00 30.11 H new ATOM 0 HG2 LYS A 71 -10.028 -10.656 4.516 1.00 13.13 H new ATOM 0 HG3 LYS A 71 -11.095 -10.249 3.187 1.00 13.13 H new ATOM 0 HD2 LYS A 71 -12.535 -12.245 3.765 1.00 5.41 H new ATOM 0 HD3 LYS A 71 -11.487 -12.584 5.128 1.00 5.41 H new ATOM 0 HE2 LYS A 71 -12.040 -10.367 6.122 1.00 65.33 H new ATOM 0 HE3 LYS A 71 -13.061 -9.995 4.747 1.00 65.33 H new ATOM 0 HZ1 LYS A 71 -14.357 -10.800 6.608 1.00 43.31 H new ATOM 0 HZ2 LYS A 71 -14.465 -11.891 5.311 1.00 43.31 H new ATOM 0 HZ3 LYS A 71 -13.476 -12.251 6.643 1.00 43.31 H new ATOM 1175 N LYS A 72 -6.680 -11.464 3.094 1.00 2.11 N ATOM 1176 CA LYS A 72 -5.500 -10.965 3.830 1.00 23.20 C ATOM 1177 C LYS A 72 -4.796 -9.857 3.034 1.00 63.32 C ATOM 1178 O LYS A 72 -4.478 -8.808 3.584 1.00 24.01 O ATOM 1179 CB LYS A 72 -4.496 -12.116 4.141 1.00 74.31 C ATOM 1180 CG LYS A 72 -4.977 -13.130 5.202 1.00 45.30 C ATOM 1181 CD LYS A 72 -5.302 -12.463 6.562 1.00 20.13 C ATOM 1182 CE LYS A 72 -5.619 -13.487 7.660 1.00 43.24 C ATOM 1183 NZ LYS A 72 -6.763 -14.356 7.304 1.00 32.44 N ATOM 0 H LYS A 72 -6.607 -12.442 2.815 1.00 2.11 H new ATOM 0 HA LYS A 72 -5.852 -10.554 4.776 1.00 23.20 H new ATOM 0 HB2 LYS A 72 -4.284 -12.653 3.216 1.00 74.31 H new ATOM 0 HB3 LYS A 72 -3.557 -11.678 4.478 1.00 74.31 H new ATOM 0 HG2 LYS A 72 -5.865 -13.643 4.832 1.00 45.30 H new ATOM 0 HG3 LYS A 72 -4.208 -13.889 5.348 1.00 45.30 H new ATOM 0 HD2 LYS A 72 -4.456 -11.851 6.874 1.00 20.13 H new ATOM 0 HD3 LYS A 72 -6.152 -11.792 6.440 1.00 20.13 H new ATOM 0 HE2 LYS A 72 -4.740 -14.104 7.843 1.00 43.24 H new ATOM 0 HE3 LYS A 72 -5.839 -12.963 8.590 1.00 43.24 H new ATOM 0 HZ1 LYS A 72 -7.427 -14.400 8.103 1.00 32.44 H new ATOM 0 HZ2 LYS A 72 -7.249 -13.966 6.471 1.00 32.44 H new ATOM 0 HZ3 LYS A 72 -6.418 -15.313 7.087 1.00 32.44 H new ATOM 1197 N ALA A 73 -4.581 -10.119 1.734 1.00 3.14 N ATOM 1198 CA ALA A 73 -3.895 -9.194 0.811 1.00 12.31 C ATOM 1199 C ALA A 73 -4.783 -7.985 0.470 1.00 61.40 C ATOM 1200 O ALA A 73 -4.271 -6.879 0.247 1.00 11.13 O ATOM 1201 CB ALA A 73 -3.483 -9.944 -0.457 1.00 70.22 C ATOM 0 H ALA A 73 -4.881 -10.986 1.288 1.00 3.14 H new ATOM 0 HA ALA A 73 -3.001 -8.811 1.303 1.00 12.31 H new ATOM 0 HB1 ALA A 73 -2.977 -9.259 -1.137 1.00 70.22 H new ATOM 0 HB2 ALA A 73 -2.809 -10.759 -0.195 1.00 70.22 H new ATOM 0 HB3 ALA A 73 -4.370 -10.349 -0.944 1.00 70.22 H new ATOM 1207 N LYS A 74 -6.112 -8.222 0.426 1.00 55.52 N ATOM 1208 CA LYS A 74 -7.110 -7.159 0.244 1.00 14.30 C ATOM 1209 C LYS A 74 -7.030 -6.163 1.407 1.00 23.30 C ATOM 1210 O LYS A 74 -6.794 -4.970 1.196 1.00 4.41 O ATOM 1211 CB LYS A 74 -8.549 -7.754 0.168 1.00 13.13 C ATOM 1212 CG LYS A 74 -9.669 -6.685 0.212 1.00 64.01 C ATOM 1213 CD LYS A 74 -11.091 -7.273 0.150 1.00 43.05 C ATOM 1214 CE LYS A 74 -12.173 -6.177 0.173 1.00 11.41 C ATOM 1215 NZ LYS A 74 -13.549 -6.741 0.069 1.00 3.22 N ATOM 0 H LYS A 74 -6.517 -9.154 0.516 1.00 55.52 H new ATOM 0 HA LYS A 74 -6.894 -6.647 -0.694 1.00 14.30 H new ATOM 0 HB2 LYS A 74 -8.646 -8.331 -0.752 1.00 13.13 H new ATOM 0 HB3 LYS A 74 -8.689 -8.449 0.996 1.00 13.13 H new ATOM 0 HG2 LYS A 74 -9.566 -6.102 1.127 1.00 64.01 H new ATOM 0 HG3 LYS A 74 -9.534 -5.996 -0.622 1.00 64.01 H new ATOM 0 HD2 LYS A 74 -11.198 -7.868 -0.757 1.00 43.05 H new ATOM 0 HD3 LYS A 74 -11.241 -7.948 0.993 1.00 43.05 H new ATOM 0 HE2 LYS A 74 -12.086 -5.603 1.095 1.00 11.41 H new ATOM 0 HE3 LYS A 74 -12.003 -5.484 -0.651 1.00 11.41 H new ATOM 0 HZ1 LYS A 74 -14.244 -5.967 0.089 1.00 3.22 H new ATOM 0 HZ2 LYS A 74 -13.642 -7.267 -0.823 1.00 3.22 H new ATOM 0 HZ3 LYS A 74 -13.723 -7.382 0.869 1.00 3.22 H new ATOM 1229 N LYS A 75 -7.176 -6.699 2.638 1.00 12.02 N ATOM 1230 CA LYS A 75 -7.197 -5.898 3.868 1.00 73.50 C ATOM 1231 C LYS A 75 -5.837 -5.224 4.079 1.00 5.14 C ATOM 1232 O LYS A 75 -5.783 -4.111 4.563 1.00 40.20 O ATOM 1233 CB LYS A 75 -7.570 -6.768 5.102 1.00 13.42 C ATOM 1234 CG LYS A 75 -7.674 -5.965 6.427 1.00 43.13 C ATOM 1235 CD LYS A 75 -7.984 -6.846 7.663 1.00 1.52 C ATOM 1236 CE LYS A 75 -7.982 -6.028 8.970 1.00 42.01 C ATOM 1237 NZ LYS A 75 -8.240 -6.871 10.174 1.00 43.34 N ATOM 0 H LYS A 75 -7.282 -7.700 2.800 1.00 12.02 H new ATOM 0 HA LYS A 75 -7.962 -5.129 3.760 1.00 73.50 H new ATOM 0 HB2 LYS A 75 -8.523 -7.262 4.912 1.00 13.42 H new ATOM 0 HB3 LYS A 75 -6.822 -7.552 5.221 1.00 13.42 H new ATOM 0 HG2 LYS A 75 -6.737 -5.435 6.595 1.00 43.13 H new ATOM 0 HG3 LYS A 75 -8.454 -5.210 6.324 1.00 43.13 H new ATOM 0 HD2 LYS A 75 -8.956 -7.322 7.535 1.00 1.52 H new ATOM 0 HD3 LYS A 75 -7.245 -7.644 7.734 1.00 1.52 H new ATOM 0 HE2 LYS A 75 -7.020 -5.528 9.080 1.00 42.01 H new ATOM 0 HE3 LYS A 75 -8.741 -5.248 8.908 1.00 42.01 H new ATOM 0 HZ1 LYS A 75 -8.228 -6.274 11.025 1.00 43.34 H new ATOM 0 HZ2 LYS A 75 -9.170 -7.328 10.085 1.00 43.34 H new ATOM 0 HZ3 LYS A 75 -7.502 -7.600 10.252 1.00 43.34 H new ATOM 1251 N TRP A 76 -4.759 -5.921 3.678 1.00 31.55 N ATOM 1252 CA TRP A 76 -3.377 -5.415 3.754 1.00 31.55 C ATOM 1253 C TRP A 76 -3.250 -4.101 2.972 1.00 32.13 C ATOM 1254 O TRP A 76 -2.816 -3.093 3.514 1.00 43.25 O ATOM 1255 CB TRP A 76 -2.399 -6.479 3.187 1.00 65.01 C ATOM 1256 CG TRP A 76 -0.935 -6.132 3.320 1.00 21.32 C ATOM 1257 CD1 TRP A 76 -0.128 -6.414 4.381 1.00 33.04 C ATOM 1258 CD2 TRP A 76 -0.101 -5.461 2.353 1.00 35.41 C ATOM 1259 NE1 TRP A 76 1.140 -5.963 4.137 1.00 0.33 N ATOM 1260 CE2 TRP A 76 1.184 -5.377 2.908 1.00 14.34 C ATOM 1261 CE3 TRP A 76 -0.317 -4.931 1.078 1.00 2.41 C ATOM 1262 CZ2 TRP A 76 2.246 -4.783 2.248 1.00 52.42 C ATOM 1263 CZ3 TRP A 76 0.739 -4.340 0.415 1.00 61.50 C ATOM 1264 CH2 TRP A 76 2.013 -4.276 1.002 1.00 41.34 C ATOM 0 H TRP A 76 -4.824 -6.861 3.288 1.00 31.55 H new ATOM 0 HA TRP A 76 -3.124 -5.221 4.796 1.00 31.55 H new ATOM 0 HB2 TRP A 76 -2.581 -7.426 3.695 1.00 65.01 H new ATOM 0 HB3 TRP A 76 -2.626 -6.635 2.132 1.00 65.01 H new ATOM 0 HD1 TRP A 76 -0.443 -6.919 5.282 1.00 33.04 H new ATOM 0 HE1 TRP A 76 1.930 -6.052 4.776 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.293 -4.983 0.620 1.00 2.41 H new ATOM 0 HZ2 TRP A 76 3.224 -4.723 2.702 1.00 52.42 H new ATOM 0 HZ3 TRP A 76 0.584 -3.921 -0.568 1.00 61.50 H new ATOM 0 HH2 TRP A 76 2.824 -3.817 0.457 1.00 41.34 H new ATOM 1275 N ALA A 77 -3.665 -4.146 1.695 1.00 12.23 N ATOM 1276 CA ALA A 77 -3.598 -2.998 0.779 1.00 73.31 C ATOM 1277 C ALA A 77 -4.537 -1.853 1.224 1.00 42.20 C ATOM 1278 O ALA A 77 -4.240 -0.683 0.979 1.00 25.42 O ATOM 1279 CB ALA A 77 -3.913 -3.459 -0.648 1.00 55.44 C ATOM 0 H ALA A 77 -4.058 -4.985 1.268 1.00 12.23 H new ATOM 0 HA ALA A 77 -2.585 -2.596 0.803 1.00 73.31 H new ATOM 0 HB1 ALA A 77 -3.863 -2.606 -1.325 1.00 55.44 H new ATOM 0 HB2 ALA A 77 -3.186 -4.211 -0.956 1.00 55.44 H new ATOM 0 HB3 ALA A 77 -4.914 -3.888 -0.679 1.00 55.44 H new ATOM 1285 N LEU A 78 -5.669 -2.217 1.869 1.00 74.24 N ATOM 1286 CA LEU A 78 -6.620 -1.248 2.466 1.00 60.25 C ATOM 1287 C LEU A 78 -5.964 -0.517 3.654 1.00 60.21 C ATOM 1288 O LEU A 78 -6.038 0.702 3.759 1.00 33.24 O ATOM 1289 CB LEU A 78 -7.913 -1.970 2.953 1.00 40.43 C ATOM 1290 CG LEU A 78 -8.817 -2.615 1.857 1.00 74.14 C ATOM 1291 CD1 LEU A 78 -9.946 -3.451 2.494 1.00 74.44 C ATOM 1292 CD2 LEU A 78 -9.393 -1.552 0.905 1.00 30.13 C ATOM 0 H LEU A 78 -5.950 -3.190 1.991 1.00 74.24 H new ATOM 0 HA LEU A 78 -6.888 -0.523 1.698 1.00 60.25 H new ATOM 0 HB2 LEU A 78 -7.621 -2.751 3.655 1.00 40.43 H new ATOM 0 HB3 LEU A 78 -8.514 -1.251 3.509 1.00 40.43 H new ATOM 0 HG LEU A 78 -8.191 -3.283 1.266 1.00 74.14 H new ATOM 0 HD11 LEU A 78 -10.562 -3.890 1.709 1.00 74.44 H new ATOM 0 HD12 LEU A 78 -9.512 -4.245 3.101 1.00 74.44 H new ATOM 0 HD13 LEU A 78 -10.563 -2.810 3.123 1.00 74.44 H new ATOM 0 HD21 LEU A 78 -10.018 -2.036 0.154 1.00 30.13 H new ATOM 0 HD22 LEU A 78 -9.993 -0.842 1.473 1.00 30.13 H new ATOM 0 HD23 LEU A 78 -8.577 -1.024 0.412 1.00 30.13 H new ATOM 1304 N GLU A 79 -5.322 -1.297 4.542 1.00 63.11 N ATOM 1305 CA GLU A 79 -4.659 -0.792 5.760 1.00 74.44 C ATOM 1306 C GLU A 79 -3.502 0.150 5.393 1.00 15.35 C ATOM 1307 O GLU A 79 -3.390 1.225 5.966 1.00 4.43 O ATOM 1308 CB GLU A 79 -4.140 -1.966 6.631 1.00 33.21 C ATOM 1309 CG GLU A 79 -5.229 -2.841 7.298 1.00 20.21 C ATOM 1310 CD GLU A 79 -5.928 -2.169 8.492 1.00 21.13 C ATOM 1311 OE1 GLU A 79 -5.246 -1.910 9.511 1.00 0.54 O ATOM 1312 OE2 GLU A 79 -7.156 -1.925 8.437 1.00 22.34 O ATOM 0 H GLU A 79 -5.248 -2.308 4.433 1.00 63.11 H new ATOM 0 HA GLU A 79 -5.394 -0.233 6.339 1.00 74.44 H new ATOM 0 HB2 GLU A 79 -3.516 -2.607 6.009 1.00 33.21 H new ATOM 0 HB3 GLU A 79 -3.499 -1.558 7.412 1.00 33.21 H new ATOM 0 HG2 GLU A 79 -5.979 -3.102 6.551 1.00 20.21 H new ATOM 0 HG3 GLU A 79 -4.776 -3.774 7.634 1.00 20.21 H new ATOM 1319 N VAL A 80 -2.667 -0.274 4.421 1.00 3.03 N ATOM 1320 CA VAL A 80 -1.539 0.527 3.903 1.00 51.12 C ATOM 1321 C VAL A 80 -2.047 1.855 3.297 1.00 34.12 C ATOM 1322 O VAL A 80 -1.512 2.917 3.603 1.00 11.33 O ATOM 1323 CB VAL A 80 -0.704 -0.275 2.826 1.00 5.41 C ATOM 1324 CG1 VAL A 80 0.391 0.599 2.180 1.00 12.35 C ATOM 1325 CG2 VAL A 80 -0.073 -1.546 3.436 1.00 41.35 C ATOM 0 H VAL A 80 -2.757 -1.185 3.972 1.00 3.03 H new ATOM 0 HA VAL A 80 -0.882 0.748 4.744 1.00 51.12 H new ATOM 0 HB VAL A 80 -1.405 -0.573 2.046 1.00 5.41 H new ATOM 0 HG11 VAL A 80 0.941 0.010 1.446 1.00 12.35 H new ATOM 0 HG12 VAL A 80 -0.070 1.454 1.686 1.00 12.35 H new ATOM 0 HG13 VAL A 80 1.077 0.951 2.950 1.00 12.35 H new ATOM 0 HG21 VAL A 80 0.494 -2.074 2.670 1.00 41.35 H new ATOM 0 HG22 VAL A 80 0.593 -1.266 4.252 1.00 41.35 H new ATOM 0 HG23 VAL A 80 -0.860 -2.196 3.818 1.00 41.35 H new ATOM 1335 N ALA A 81 -3.098 1.759 2.456 1.00 61.33 N ATOM 1336 CA ALA A 81 -3.738 2.921 1.799 1.00 73.13 C ATOM 1337 C ALA A 81 -4.220 3.955 2.829 1.00 32.41 C ATOM 1338 O ALA A 81 -3.976 5.157 2.690 1.00 62.02 O ATOM 1339 CB ALA A 81 -4.923 2.444 0.951 1.00 32.34 C ATOM 0 H ALA A 81 -3.530 0.868 2.211 1.00 61.33 H new ATOM 0 HA ALA A 81 -2.995 3.402 1.162 1.00 73.13 H new ATOM 0 HB1 ALA A 81 -5.393 3.301 0.468 1.00 32.34 H new ATOM 0 HB2 ALA A 81 -4.569 1.748 0.191 1.00 32.34 H new ATOM 0 HB3 ALA A 81 -5.650 1.944 1.591 1.00 32.34 H new ATOM 1345 N ASN A 82 -4.904 3.442 3.865 1.00 54.42 N ATOM 1346 CA ASN A 82 -5.437 4.251 4.968 1.00 3.21 C ATOM 1347 C ASN A 82 -4.305 4.763 5.871 1.00 54.11 C ATOM 1348 O ASN A 82 -4.453 5.807 6.468 1.00 42.53 O ATOM 1349 CB ASN A 82 -6.494 3.450 5.787 1.00 50.14 C ATOM 1350 CG ASN A 82 -7.898 3.508 5.167 1.00 74.12 C ATOM 1351 OD1 ASN A 82 -8.705 4.365 5.526 1.00 0.13 O ATOM 1352 ND2 ASN A 82 -8.191 2.637 4.212 1.00 64.13 N ATOM 0 H ASN A 82 -5.103 2.446 3.959 1.00 54.42 H new ATOM 0 HA ASN A 82 -5.938 5.119 4.539 1.00 3.21 H new ATOM 0 HB2 ASN A 82 -6.177 2.410 5.861 1.00 50.14 H new ATOM 0 HB3 ASN A 82 -6.534 3.844 6.803 1.00 50.14 H new ATOM 0 HD21 ASN A 82 -9.103 2.667 3.756 1.00 64.13 H new ATOM 0 HD22 ASN A 82 -7.504 1.936 3.933 1.00 64.13 H new ATOM 1359 N LYS A 83 -3.181 4.021 5.962 1.00 15.43 N ATOM 1360 CA LYS A 83 -1.997 4.462 6.746 1.00 2.52 C ATOM 1361 C LYS A 83 -1.415 5.740 6.133 1.00 40.31 C ATOM 1362 O LYS A 83 -1.325 6.763 6.806 1.00 54.05 O ATOM 1363 CB LYS A 83 -0.897 3.339 6.837 1.00 53.32 C ATOM 1364 CG LYS A 83 -1.128 2.302 7.965 1.00 11.33 C ATOM 1365 CD LYS A 83 -1.068 2.958 9.364 1.00 3.04 C ATOM 1366 CE LYS A 83 -1.326 1.976 10.513 1.00 21.11 C ATOM 1367 NZ LYS A 83 -1.300 2.687 11.822 1.00 70.20 N ATOM 0 H LYS A 83 -3.064 3.116 5.506 1.00 15.43 H new ATOM 0 HA LYS A 83 -2.327 4.668 7.764 1.00 2.52 H new ATOM 0 HB2 LYS A 83 -0.852 2.815 5.883 1.00 53.32 H new ATOM 0 HB3 LYS A 83 0.074 3.811 6.988 1.00 53.32 H new ATOM 0 HG2 LYS A 83 -2.098 1.825 7.828 1.00 11.33 H new ATOM 0 HG3 LYS A 83 -0.375 1.517 7.898 1.00 11.33 H new ATOM 0 HD2 LYS A 83 -0.088 3.415 9.500 1.00 3.04 H new ATOM 0 HD3 LYS A 83 -1.803 3.761 9.411 1.00 3.04 H new ATOM 0 HE2 LYS A 83 -2.292 1.491 10.375 1.00 21.11 H new ATOM 0 HE3 LYS A 83 -0.571 1.190 10.504 1.00 21.11 H new ATOM 0 HZ1 LYS A 83 -1.476 2.008 12.590 1.00 70.20 H new ATOM 0 HZ2 LYS A 83 -0.369 3.129 11.958 1.00 70.20 H new ATOM 0 HZ3 LYS A 83 -2.037 3.421 11.833 1.00 70.20 H new ATOM 1381 N ILE A 84 -1.124 5.673 4.822 1.00 51.32 N ATOM 1382 CA ILE A 84 -0.554 6.793 4.037 1.00 32.45 C ATOM 1383 C ILE A 84 -1.516 8.012 4.076 1.00 2.41 C ATOM 1384 O ILE A 84 -1.085 9.167 4.190 1.00 43.44 O ATOM 1385 CB ILE A 84 -0.293 6.331 2.540 1.00 13.14 C ATOM 1386 CG1 ILE A 84 0.563 5.023 2.493 1.00 64.24 C ATOM 1387 CG2 ILE A 84 0.399 7.436 1.709 1.00 73.22 C ATOM 1388 CD1 ILE A 84 0.583 4.328 1.133 1.00 41.13 C ATOM 0 H ILE A 84 -1.278 4.831 4.267 1.00 51.32 H new ATOM 0 HA ILE A 84 0.398 7.090 4.477 1.00 32.45 H new ATOM 0 HB ILE A 84 -1.270 6.132 2.099 1.00 13.14 H new ATOM 0 HG12 ILE A 84 1.587 5.263 2.779 1.00 64.24 H new ATOM 0 HG13 ILE A 84 0.179 4.326 3.238 1.00 64.24 H new ATOM 0 HG21 ILE A 84 0.559 7.079 0.692 1.00 73.22 H new ATOM 0 HG22 ILE A 84 -0.233 8.324 1.687 1.00 73.22 H new ATOM 0 HG23 ILE A 84 1.359 7.685 2.162 1.00 73.22 H new ATOM 0 HD11 ILE A 84 1.200 3.431 1.192 1.00 41.13 H new ATOM 0 HD12 ILE A 84 -0.433 4.052 0.850 1.00 41.13 H new ATOM 0 HD13 ILE A 84 0.997 5.004 0.385 1.00 41.13 H new ATOM 1400 N ALA A 85 -2.831 7.710 4.036 1.00 74.33 N ATOM 1401 CA ALA A 85 -3.916 8.709 4.083 1.00 74.14 C ATOM 1402 C ALA A 85 -4.089 9.338 5.489 1.00 11.12 C ATOM 1403 O ALA A 85 -4.440 10.512 5.593 1.00 0.14 O ATOM 1404 CB ALA A 85 -5.227 8.052 3.623 1.00 42.24 C ATOM 0 H ALA A 85 -3.172 6.751 3.969 1.00 74.33 H new ATOM 0 HA ALA A 85 -3.648 9.524 3.411 1.00 74.14 H new ATOM 0 HB1 ALA A 85 -6.033 8.786 3.656 1.00 42.24 H new ATOM 0 HB2 ALA A 85 -5.112 7.685 2.603 1.00 42.24 H new ATOM 0 HB3 ALA A 85 -5.468 7.219 4.283 1.00 42.24 H new ATOM 1410 N ASN A 86 -3.871 8.533 6.554 1.00 31.51 N ATOM 1411 CA ASN A 86 -4.053 8.967 7.966 1.00 14.03 C ATOM 1412 C ASN A 86 -2.891 9.842 8.447 1.00 35.15 C ATOM 1413 O ASN A 86 -3.119 10.834 9.151 1.00 3.11 O ATOM 1414 CB ASN A 86 -4.236 7.739 8.921 1.00 73.31 C ATOM 1415 CG ASN A 86 -5.670 7.167 8.968 1.00 33.14 C ATOM 1416 OD1 ASN A 86 -6.107 6.679 10.011 1.00 54.43 O ATOM 1417 ND2 ASN A 86 -6.401 7.181 7.853 1.00 63.54 N ATOM 0 H ASN A 86 -3.564 7.564 6.463 1.00 31.51 H new ATOM 0 HA ASN A 86 -4.962 9.567 7.996 1.00 14.03 H new ATOM 0 HB2 ASN A 86 -3.554 6.948 8.609 1.00 73.31 H new ATOM 0 HB3 ASN A 86 -3.943 8.033 9.929 1.00 73.31 H new ATOM 0 HD21 ASN A 86 -7.340 6.783 7.854 1.00 63.54 H new ATOM 0 HD22 ASN A 86 -6.021 7.590 6.999 1.00 63.54 H new ATOM 1424 N GLU A 87 -1.646 9.463 8.067 1.00 42.24 N ATOM 1425 CA GLU A 87 -0.413 10.186 8.484 1.00 51.42 C ATOM 1426 C GLU A 87 -0.438 11.649 8.016 1.00 15.02 C ATOM 1427 O GLU A 87 0.167 12.526 8.643 1.00 52.11 O ATOM 1428 CB GLU A 87 0.884 9.497 7.950 1.00 4.32 C ATOM 1429 CG GLU A 87 1.069 8.016 8.352 1.00 23.33 C ATOM 1430 CD GLU A 87 0.889 7.745 9.858 1.00 32.30 C ATOM 1431 OE1 GLU A 87 1.858 7.928 10.630 1.00 44.21 O ATOM 1432 OE2 GLU A 87 -0.225 7.350 10.284 1.00 63.40 O ATOM 0 H GLU A 87 -1.466 8.656 7.469 1.00 42.24 H new ATOM 0 HA GLU A 87 -0.396 10.156 9.573 1.00 51.42 H new ATOM 0 HB2 GLU A 87 0.887 9.562 6.862 1.00 4.32 H new ATOM 0 HB3 GLU A 87 1.746 10.061 8.305 1.00 4.32 H new ATOM 0 HG2 GLU A 87 0.355 7.408 7.797 1.00 23.33 H new ATOM 0 HG3 GLU A 87 2.065 7.691 8.052 1.00 23.33 H new ATOM 1439 N LEU A 88 -1.127 11.881 6.894 1.00 42.21 N ATOM 1440 CA LEU A 88 -1.327 13.220 6.330 1.00 71.52 C ATOM 1441 C LEU A 88 -2.671 13.806 6.803 1.00 53.43 C ATOM 1442 O LEU A 88 -2.765 14.987 7.143 1.00 4.40 O ATOM 1443 CB LEU A 88 -1.301 13.134 4.786 1.00 33.44 C ATOM 1444 CG LEU A 88 -0.084 12.407 4.144 1.00 53.52 C ATOM 1445 CD1 LEU A 88 -0.128 12.558 2.615 1.00 35.13 C ATOM 1446 CD2 LEU A 88 1.263 12.890 4.732 1.00 61.52 C ATOM 0 H LEU A 88 -1.565 11.139 6.348 1.00 42.21 H new ATOM 0 HA LEU A 88 -0.526 13.875 6.672 1.00 71.52 H new ATOM 0 HB2 LEU A 88 -2.210 12.629 4.459 1.00 33.44 H new ATOM 0 HB3 LEU A 88 -1.339 14.148 4.389 1.00 33.44 H new ATOM 0 HG LEU A 88 -0.156 11.347 4.388 1.00 53.52 H new ATOM 0 HD11 LEU A 88 0.727 12.046 2.174 1.00 35.13 H new ATOM 0 HD12 LEU A 88 -1.050 12.120 2.232 1.00 35.13 H new ATOM 0 HD13 LEU A 88 -0.093 13.615 2.353 1.00 35.13 H new ATOM 0 HD21 LEU A 88 2.082 12.354 4.253 1.00 61.52 H new ATOM 0 HD22 LEU A 88 1.375 13.959 4.553 1.00 61.52 H new ATOM 0 HD23 LEU A 88 1.282 12.697 5.805 1.00 61.52 H new ATOM 1458 N GLY A 89 -3.697 12.946 6.828 1.00 73.43 N ATOM 1459 CA GLY A 89 -5.078 13.371 7.067 1.00 31.15 C ATOM 1460 C GLY A 89 -5.679 14.029 5.835 1.00 24.44 C ATOM 1461 O GLY A 89 -6.358 15.060 5.934 1.00 72.54 O ATOM 0 H GLY A 89 -3.592 11.942 6.684 1.00 73.43 H new ATOM 0 HA2 GLY A 89 -5.681 12.509 7.351 1.00 31.15 H new ATOM 0 HA3 GLY A 89 -5.105 14.069 7.904 1.00 31.15 H new ATOM 1465 N ALA A 90 -5.406 13.429 4.662 1.00 61.42 N ATOM 1466 CA ALA A 90 -5.820 13.978 3.363 1.00 75.12 C ATOM 1467 C ALA A 90 -7.300 13.668 3.078 1.00 2.32 C ATOM 1468 O ALA A 90 -8.157 14.551 3.191 1.00 14.44 O ATOM 1469 CB ALA A 90 -4.898 13.461 2.245 1.00 45.42 C ATOM 0 H ALA A 90 -4.892 12.551 4.591 1.00 61.42 H new ATOM 0 HA ALA A 90 -5.724 15.063 3.396 1.00 75.12 H new ATOM 0 HB1 ALA A 90 -5.217 13.876 1.289 1.00 45.42 H new ATOM 0 HB2 ALA A 90 -3.872 13.767 2.449 1.00 45.42 H new ATOM 0 HB3 ALA A 90 -4.951 12.373 2.204 1.00 45.42 H new ATOM 1475 N LYS A 91 -7.576 12.394 2.738 1.00 33.35 N ATOM 1476 CA LYS A 91 -8.909 11.896 2.340 1.00 25.15 C ATOM 1477 C LYS A 91 -8.824 10.374 2.094 1.00 60.11 C ATOM 1478 O LYS A 91 -7.811 9.744 2.427 1.00 72.12 O ATOM 1479 CB LYS A 91 -9.423 12.640 1.069 1.00 32.45 C ATOM 1480 CG LYS A 91 -8.455 12.561 -0.128 1.00 34.44 C ATOM 1481 CD LYS A 91 -8.901 13.386 -1.352 1.00 54.51 C ATOM 1482 CE LYS A 91 -10.233 12.924 -1.965 1.00 3.34 C ATOM 1483 NZ LYS A 91 -10.605 13.755 -3.145 1.00 31.54 N ATOM 0 H LYS A 91 -6.863 11.665 2.732 1.00 33.35 H new ATOM 0 HA LYS A 91 -9.622 12.091 3.141 1.00 25.15 H new ATOM 0 HB2 LYS A 91 -10.385 12.219 0.776 1.00 32.45 H new ATOM 0 HB3 LYS A 91 -9.596 13.687 1.317 1.00 32.45 H new ATOM 0 HG2 LYS A 91 -7.471 12.906 0.190 1.00 34.44 H new ATOM 0 HG3 LYS A 91 -8.346 11.518 -0.426 1.00 34.44 H new ATOM 0 HD2 LYS A 91 -8.991 14.432 -1.059 1.00 54.51 H new ATOM 0 HD3 LYS A 91 -8.124 13.334 -2.115 1.00 54.51 H new ATOM 0 HE2 LYS A 91 -10.155 11.879 -2.264 1.00 3.34 H new ATOM 0 HE3 LYS A 91 -11.021 12.982 -1.214 1.00 3.34 H new ATOM 0 HZ1 LYS A 91 -11.639 13.756 -3.256 1.00 31.54 H new ATOM 0 HZ2 LYS A 91 -10.271 14.729 -3.003 1.00 31.54 H new ATOM 0 HZ3 LYS A 91 -10.165 13.360 -4.001 1.00 31.54 H new ATOM 1497 N GLN A 92 -9.888 9.794 1.507 1.00 30.25 N ATOM 1498 CA GLN A 92 -9.994 8.346 1.281 1.00 64.02 C ATOM 1499 C GLN A 92 -9.399 7.953 -0.092 1.00 54.52 C ATOM 1500 O GLN A 92 -9.317 8.780 -1.013 1.00 62.50 O ATOM 1501 CB GLN A 92 -11.480 7.911 1.394 1.00 54.22 C ATOM 1502 CG GLN A 92 -11.695 6.405 1.630 1.00 72.04 C ATOM 1503 CD GLN A 92 -11.106 5.928 2.967 1.00 53.44 C ATOM 1504 OE1 GLN A 92 -11.776 5.955 3.996 1.00 52.31 O ATOM 1505 NE2 GLN A 92 -9.850 5.493 2.965 1.00 15.14 N ATOM 0 H GLN A 92 -10.697 10.320 1.177 1.00 30.25 H new ATOM 0 HA GLN A 92 -9.416 7.825 2.044 1.00 64.02 H new ATOM 0 HB2 GLN A 92 -11.944 8.463 2.211 1.00 54.22 H new ATOM 0 HB3 GLN A 92 -11.999 8.199 0.480 1.00 54.22 H new ATOM 0 HG2 GLN A 92 -12.763 6.186 1.608 1.00 72.04 H new ATOM 0 HG3 GLN A 92 -11.238 5.844 0.815 1.00 72.04 H new ATOM 0 HE21 GLN A 92 -9.316 5.481 2.096 1.00 15.14 H new ATOM 0 HE22 GLN A 92 -9.420 5.171 3.832 1.00 15.14 H new ATOM 1514 N SER A 93 -9.000 6.676 -0.201 1.00 65.32 N ATOM 1515 CA SER A 93 -8.344 6.095 -1.382 1.00 10.15 C ATOM 1516 C SER A 93 -9.335 5.252 -2.211 1.00 63.24 C ATOM 1517 O SER A 93 -10.193 4.559 -1.649 1.00 25.11 O ATOM 1518 CB SER A 93 -7.153 5.236 -0.891 1.00 12.33 C ATOM 1519 OG SER A 93 -7.525 4.372 0.168 1.00 52.13 O ATOM 0 H SER A 93 -9.129 6.000 0.552 1.00 65.32 H new ATOM 0 HA SER A 93 -7.985 6.889 -2.037 1.00 10.15 H new ATOM 0 HB2 SER A 93 -6.765 4.646 -1.721 1.00 12.33 H new ATOM 0 HB3 SER A 93 -6.346 5.890 -0.560 1.00 12.33 H new ATOM 0 HG SER A 93 -8.456 4.090 0.049 1.00 52.13 H new ATOM 1525 N THR A 94 -9.176 5.293 -3.547 1.00 3.23 N ATOM 1526 CA THR A 94 -10.028 4.575 -4.505 1.00 44.20 C ATOM 1527 C THR A 94 -9.373 3.220 -4.818 1.00 62.22 C ATOM 1528 O THR A 94 -8.271 3.166 -5.367 1.00 63.33 O ATOM 1529 CB THR A 94 -10.186 5.417 -5.822 1.00 74.32 C ATOM 1530 OG1 THR A 94 -10.539 6.762 -5.480 1.00 54.41 O ATOM 1531 CG2 THR A 94 -11.267 4.838 -6.754 1.00 73.31 C ATOM 0 H THR A 94 -8.438 5.836 -3.996 1.00 3.23 H new ATOM 0 HA THR A 94 -11.019 4.418 -4.078 1.00 44.20 H new ATOM 0 HB THR A 94 -9.234 5.386 -6.352 1.00 74.32 H new ATOM 0 HG1 THR A 94 -10.637 7.293 -6.298 1.00 54.41 H new ATOM 0 HG21 THR A 94 -11.341 5.452 -7.651 1.00 73.31 H new ATOM 0 HG22 THR A 94 -10.999 3.819 -7.033 1.00 73.31 H new ATOM 0 HG23 THR A 94 -12.227 4.832 -6.238 1.00 73.31 H new ATOM 1539 N THR A 95 -10.056 2.129 -4.450 1.00 73.41 N ATOM 1540 CA THR A 95 -9.523 0.761 -4.545 1.00 74.10 C ATOM 1541 C THR A 95 -10.187 -0.001 -5.709 1.00 72.42 C ATOM 1542 O THR A 95 -11.411 -0.166 -5.731 1.00 54.10 O ATOM 1543 CB THR A 95 -9.768 -0.005 -3.190 1.00 61.54 C ATOM 1544 OG1 THR A 95 -11.177 -0.081 -2.902 1.00 61.11 O ATOM 1545 CG2 THR A 95 -9.067 0.701 -2.016 1.00 35.34 C ATOM 0 H THR A 95 -11.003 2.170 -4.074 1.00 73.41 H new ATOM 0 HA THR A 95 -8.451 0.818 -4.736 1.00 74.10 H new ATOM 0 HB THR A 95 -9.355 -1.007 -3.306 1.00 61.54 H new ATOM 0 HG1 THR A 95 -11.679 -0.146 -3.741 1.00 61.11 H new ATOM 0 HG21 THR A 95 -9.255 0.149 -1.095 1.00 35.34 H new ATOM 0 HG22 THR A 95 -7.994 0.740 -2.203 1.00 35.34 H new ATOM 0 HG23 THR A 95 -9.455 1.715 -1.917 1.00 35.34 H new ATOM 1553 N THR A 96 -9.377 -0.422 -6.696 1.00 71.51 N ATOM 1554 CA THR A 96 -9.787 -1.404 -7.710 1.00 42.25 C ATOM 1555 C THR A 96 -9.634 -2.798 -7.072 1.00 5.42 C ATOM 1556 O THR A 96 -8.523 -3.234 -6.759 1.00 54.54 O ATOM 1557 CB THR A 96 -8.903 -1.283 -9.008 1.00 63.44 C ATOM 1558 OG1 THR A 96 -8.842 0.099 -9.424 1.00 43.44 O ATOM 1559 CG2 THR A 96 -9.444 -2.144 -10.171 1.00 13.04 C ATOM 0 H THR A 96 -8.420 -0.090 -6.812 1.00 71.51 H new ATOM 0 HA THR A 96 -10.818 -1.229 -8.017 1.00 42.25 H new ATOM 0 HB THR A 96 -7.908 -1.652 -8.760 1.00 63.44 H new ATOM 0 HG1 THR A 96 -8.290 0.174 -10.231 1.00 43.44 H new ATOM 0 HG21 THR A 96 -8.799 -2.025 -11.042 1.00 13.04 H new ATOM 0 HG22 THR A 96 -9.460 -3.192 -9.871 1.00 13.04 H new ATOM 0 HG23 THR A 96 -10.455 -1.823 -10.422 1.00 13.04 H new ATOM 1567 N THR A 97 -10.765 -3.461 -6.822 1.00 3.41 N ATOM 1568 CA THR A 97 -10.809 -4.724 -6.084 1.00 3.50 C ATOM 1569 C THR A 97 -10.975 -5.911 -7.039 1.00 54.31 C ATOM 1570 O THR A 97 -11.503 -5.756 -8.151 1.00 1.05 O ATOM 1571 CB THR A 97 -11.956 -4.700 -5.022 1.00 32.10 C ATOM 1572 OG1 THR A 97 -11.964 -5.921 -4.256 1.00 55.22 O ATOM 1573 CG2 THR A 97 -13.341 -4.468 -5.656 1.00 52.34 C ATOM 0 H THR A 97 -11.681 -3.134 -7.128 1.00 3.41 H new ATOM 0 HA THR A 97 -9.861 -4.845 -5.561 1.00 3.50 H new ATOM 0 HB THR A 97 -11.754 -3.858 -4.360 1.00 32.10 H new ATOM 0 HG1 THR A 97 -12.687 -5.888 -3.595 1.00 55.22 H new ATOM 0 HG21 THR A 97 -14.102 -4.460 -4.875 1.00 52.34 H new ATOM 0 HG22 THR A 97 -13.347 -3.511 -6.178 1.00 52.34 H new ATOM 0 HG23 THR A 97 -13.556 -5.268 -6.364 1.00 52.34 H new ATOM 1581 N ASP A 98 -10.488 -7.079 -6.583 1.00 53.11 N ATOM 1582 CA ASP A 98 -10.600 -8.367 -7.291 1.00 61.31 C ATOM 1583 C ASP A 98 -9.874 -8.312 -8.673 1.00 61.32 C ATOM 1584 O ASP A 98 -8.784 -7.726 -8.760 1.00 64.31 O ATOM 1585 CB ASP A 98 -12.103 -8.817 -7.383 1.00 31.53 C ATOM 1586 CG ASP A 98 -12.276 -10.353 -7.429 1.00 62.14 C ATOM 1587 OD1 ASP A 98 -12.053 -10.970 -8.484 1.00 33.11 O ATOM 1588 OD2 ASP A 98 -12.586 -10.956 -6.386 1.00 14.31 O ATOM 0 H ASP A 98 -9.995 -7.155 -5.693 1.00 53.11 H new ATOM 0 HA ASP A 98 -10.085 -9.138 -6.718 1.00 61.31 H new ATOM 0 HB2 ASP A 98 -12.647 -8.422 -6.525 1.00 31.53 H new ATOM 0 HB3 ASP A 98 -12.553 -8.380 -8.275 1.00 31.53 H new ATOM 1593 N GLY A 99 -10.457 -8.937 -9.733 1.00 31.25 N ATOM 1594 CA GLY A 99 -9.843 -8.987 -11.063 1.00 25.43 C ATOM 1595 C GLY A 99 -8.615 -9.881 -11.109 1.00 52.03 C ATOM 1596 O GLY A 99 -8.450 -10.779 -10.264 1.00 52.44 O ATOM 0 H GLY A 99 -11.358 -9.412 -9.677 1.00 31.25 H new ATOM 0 HA2 GLY A 99 -10.577 -9.347 -11.784 1.00 25.43 H new ATOM 0 HA3 GLY A 99 -9.565 -7.978 -11.368 1.00 25.43 H new ATOM 1600 N ASP A 100 -7.758 -9.631 -12.110 1.00 24.23 N ATOM 1601 CA ASP A 100 -6.448 -10.292 -12.249 1.00 72.11 C ATOM 1602 C ASP A 100 -5.429 -9.679 -11.271 1.00 32.32 C ATOM 1603 O ASP A 100 -4.475 -10.347 -10.863 1.00 74.33 O ATOM 1604 CB ASP A 100 -5.927 -10.176 -13.718 1.00 72.12 C ATOM 1605 CG ASP A 100 -5.640 -8.727 -14.168 1.00 31.34 C ATOM 1606 OD1 ASP A 100 -6.603 -7.968 -14.414 1.00 10.33 O ATOM 1607 OD2 ASP A 100 -4.460 -8.331 -14.268 1.00 32.43 O ATOM 0 H ASP A 100 -7.954 -8.960 -12.852 1.00 24.23 H new ATOM 0 HA ASP A 100 -6.570 -11.348 -12.008 1.00 72.11 H new ATOM 0 HB2 ASP A 100 -5.015 -10.764 -13.817 1.00 72.12 H new ATOM 0 HB3 ASP A 100 -6.664 -10.615 -14.390 1.00 72.12 H new ATOM 1612 N THR A 101 -5.655 -8.401 -10.903 1.00 55.14 N ATOM 1613 CA THR A 101 -4.757 -7.633 -10.020 1.00 32.01 C ATOM 1614 C THR A 101 -5.557 -6.678 -9.100 1.00 44.23 C ATOM 1615 O THR A 101 -6.362 -5.866 -9.571 1.00 4.05 O ATOM 1616 CB THR A 101 -3.699 -6.816 -10.854 1.00 55.42 C ATOM 1617 OG1 THR A 101 -4.341 -6.193 -11.981 1.00 22.24 O ATOM 1618 CG2 THR A 101 -2.532 -7.699 -11.348 1.00 4.11 C ATOM 0 H THR A 101 -6.470 -7.871 -11.212 1.00 55.14 H new ATOM 0 HA THR A 101 -4.226 -8.352 -9.396 1.00 32.01 H new ATOM 0 HB THR A 101 -3.281 -6.058 -10.192 1.00 55.42 H new ATOM 0 HG1 THR A 101 -4.382 -6.828 -12.726 1.00 22.24 H new ATOM 0 HG21 THR A 101 -1.830 -7.089 -11.917 1.00 4.11 H new ATOM 0 HG22 THR A 101 -2.020 -8.138 -10.492 1.00 4.11 H new ATOM 0 HG23 THR A 101 -2.921 -8.494 -11.984 1.00 4.11 H new ATOM 1626 N PHE A 102 -5.319 -6.803 -7.784 1.00 52.44 N ATOM 1627 CA PHE A 102 -5.830 -5.868 -6.775 1.00 72.42 C ATOM 1628 C PHE A 102 -4.960 -4.596 -6.830 1.00 64.34 C ATOM 1629 O PHE A 102 -3.748 -4.667 -6.609 1.00 0.11 O ATOM 1630 CB PHE A 102 -5.775 -6.522 -5.361 1.00 4.22 C ATOM 1631 CG PHE A 102 -6.634 -5.807 -4.312 1.00 35.30 C ATOM 1632 CD1 PHE A 102 -6.124 -4.759 -3.544 1.00 50.41 C ATOM 1633 CD2 PHE A 102 -7.967 -6.177 -4.111 1.00 55.03 C ATOM 1634 CE1 PHE A 102 -6.917 -4.108 -2.613 1.00 22.15 C ATOM 1635 CE2 PHE A 102 -8.752 -5.522 -3.177 1.00 23.34 C ATOM 1636 CZ PHE A 102 -8.227 -4.487 -2.431 1.00 75.13 C ATOM 0 H PHE A 102 -4.762 -7.562 -7.390 1.00 52.44 H new ATOM 0 HA PHE A 102 -6.870 -5.613 -6.977 1.00 72.42 H new ATOM 0 HB2 PHE A 102 -6.102 -7.559 -5.438 1.00 4.22 H new ATOM 0 HB3 PHE A 102 -4.740 -6.538 -5.019 1.00 4.22 H new ATOM 0 HD1 PHE A 102 -5.097 -4.451 -3.677 1.00 50.41 H new ATOM 0 HD2 PHE A 102 -8.390 -6.984 -4.691 1.00 55.03 H new ATOM 0 HE1 PHE A 102 -6.505 -3.299 -2.027 1.00 22.15 H new ATOM 0 HE2 PHE A 102 -9.779 -5.823 -3.032 1.00 23.34 H new ATOM 0 HZ PHE A 102 -8.843 -3.976 -1.706 1.00 75.13 H new ATOM 1646 N GLU A 103 -5.583 -3.454 -7.123 1.00 74.40 N ATOM 1647 CA GLU A 103 -4.878 -2.200 -7.430 1.00 11.43 C ATOM 1648 C GLU A 103 -5.516 -1.020 -6.660 1.00 53.35 C ATOM 1649 O GLU A 103 -6.640 -0.648 -6.930 1.00 54.41 O ATOM 1650 CB GLU A 103 -4.963 -1.986 -8.969 1.00 1.13 C ATOM 1651 CG GLU A 103 -4.384 -0.659 -9.468 1.00 11.30 C ATOM 1652 CD GLU A 103 -4.615 -0.381 -10.961 1.00 73.50 C ATOM 1653 OE1 GLU A 103 -5.680 -0.756 -11.492 1.00 3.31 O ATOM 1654 OE2 GLU A 103 -3.751 0.257 -11.606 1.00 13.20 O ATOM 0 H GLU A 103 -6.599 -3.368 -7.155 1.00 74.40 H new ATOM 0 HA GLU A 103 -3.835 -2.253 -7.119 1.00 11.43 H new ATOM 0 HB2 GLU A 103 -4.439 -2.803 -9.464 1.00 1.13 H new ATOM 0 HB3 GLU A 103 -6.008 -2.047 -9.273 1.00 1.13 H new ATOM 0 HG2 GLU A 103 -4.822 0.154 -8.889 1.00 11.30 H new ATOM 0 HG3 GLU A 103 -3.312 -0.649 -9.272 1.00 11.30 H new ATOM 1661 N VAL A 104 -4.787 -0.446 -5.691 1.00 24.32 N ATOM 1662 CA VAL A 104 -5.247 0.727 -4.910 1.00 2.24 C ATOM 1663 C VAL A 104 -4.565 2.035 -5.375 1.00 3.11 C ATOM 1664 O VAL A 104 -3.335 2.126 -5.392 1.00 45.21 O ATOM 1665 CB VAL A 104 -4.965 0.529 -3.377 1.00 24.25 C ATOM 1666 CG1 VAL A 104 -5.492 1.734 -2.564 1.00 12.22 C ATOM 1667 CG2 VAL A 104 -5.573 -0.795 -2.864 1.00 12.13 C ATOM 0 H VAL A 104 -3.861 -0.777 -5.422 1.00 24.32 H new ATOM 0 HA VAL A 104 -6.320 0.810 -5.081 1.00 2.24 H new ATOM 0 HB VAL A 104 -3.885 0.472 -3.238 1.00 24.25 H new ATOM 0 HG11 VAL A 104 -5.286 1.576 -1.505 1.00 12.22 H new ATOM 0 HG12 VAL A 104 -4.994 2.644 -2.899 1.00 12.22 H new ATOM 0 HG13 VAL A 104 -6.567 1.832 -2.714 1.00 12.22 H new ATOM 0 HG21 VAL A 104 -5.362 -0.904 -1.800 1.00 12.13 H new ATOM 0 HG22 VAL A 104 -6.652 -0.785 -3.020 1.00 12.13 H new ATOM 0 HG23 VAL A 104 -5.135 -1.632 -3.409 1.00 12.13 H new ATOM 1677 N GLU A 105 -5.388 3.030 -5.747 1.00 14.32 N ATOM 1678 CA GLU A 105 -4.965 4.429 -5.930 1.00 43.24 C ATOM 1679 C GLU A 105 -5.294 5.206 -4.657 1.00 64.21 C ATOM 1680 O GLU A 105 -6.462 5.325 -4.280 1.00 1.41 O ATOM 1681 CB GLU A 105 -5.692 5.090 -7.143 1.00 64.44 C ATOM 1682 CG GLU A 105 -5.208 4.632 -8.534 1.00 75.33 C ATOM 1683 CD GLU A 105 -5.286 3.115 -8.749 1.00 64.33 C ATOM 1684 OE1 GLU A 105 -6.407 2.559 -8.756 1.00 23.24 O ATOM 1685 OE2 GLU A 105 -4.231 2.481 -8.881 1.00 42.24 O ATOM 0 H GLU A 105 -6.380 2.883 -5.932 1.00 14.32 H new ATOM 0 HA GLU A 105 -3.894 4.448 -6.130 1.00 43.24 H new ATOM 0 HB2 GLU A 105 -6.759 4.883 -7.062 1.00 64.44 H new ATOM 0 HB3 GLU A 105 -5.571 6.171 -7.073 1.00 64.44 H new ATOM 0 HG2 GLU A 105 -5.806 5.129 -9.298 1.00 75.33 H new ATOM 0 HG3 GLU A 105 -4.177 4.957 -8.675 1.00 75.33 H new ATOM 1692 N VAL A 106 -4.269 5.738 -3.995 1.00 12.10 N ATOM 1693 CA VAL A 106 -4.448 6.594 -2.829 1.00 52.14 C ATOM 1694 C VAL A 106 -4.355 8.049 -3.310 1.00 61.02 C ATOM 1695 O VAL A 106 -3.269 8.543 -3.614 1.00 52.35 O ATOM 1696 CB VAL A 106 -3.363 6.289 -1.717 1.00 21.13 C ATOM 1697 CG1 VAL A 106 -3.742 6.932 -0.365 1.00 33.22 C ATOM 1698 CG2 VAL A 106 -3.134 4.765 -1.559 1.00 75.41 C ATOM 0 H VAL A 106 -3.294 5.587 -4.253 1.00 12.10 H new ATOM 0 HA VAL A 106 -5.419 6.407 -2.370 1.00 52.14 H new ATOM 0 HB VAL A 106 -2.426 6.738 -2.046 1.00 21.13 H new ATOM 0 HG11 VAL A 106 -2.975 6.702 0.375 1.00 33.22 H new ATOM 0 HG12 VAL A 106 -3.818 8.013 -0.485 1.00 33.22 H new ATOM 0 HG13 VAL A 106 -4.700 6.536 -0.029 1.00 33.22 H new ATOM 0 HG21 VAL A 106 -2.384 4.588 -0.788 1.00 75.41 H new ATOM 0 HG22 VAL A 106 -4.069 4.284 -1.272 1.00 75.41 H new ATOM 0 HG23 VAL A 106 -2.788 4.349 -2.505 1.00 75.41 H new ATOM 1708 N ILE A 107 -5.517 8.718 -3.400 1.00 63.22 N ATOM 1709 CA ILE A 107 -5.608 10.102 -3.890 1.00 22.43 C ATOM 1710 C ILE A 107 -5.493 11.042 -2.692 1.00 22.13 C ATOM 1711 O ILE A 107 -6.432 11.195 -1.924 1.00 63.52 O ATOM 1712 CB ILE A 107 -6.955 10.343 -4.682 1.00 63.11 C ATOM 1713 CG1 ILE A 107 -7.071 9.360 -5.899 1.00 72.52 C ATOM 1714 CG2 ILE A 107 -7.093 11.818 -5.148 1.00 30.31 C ATOM 1715 CD1 ILE A 107 -5.966 9.484 -6.950 1.00 51.25 C ATOM 0 H ILE A 107 -6.416 8.315 -3.136 1.00 63.22 H new ATOM 0 HA ILE A 107 -4.796 10.298 -4.590 1.00 22.43 H new ATOM 0 HB ILE A 107 -7.777 10.139 -3.996 1.00 63.11 H new ATOM 0 HG12 ILE A 107 -7.075 8.338 -5.520 1.00 72.52 H new ATOM 0 HG13 ILE A 107 -8.032 9.523 -6.386 1.00 72.52 H new ATOM 0 HG21 ILE A 107 -8.031 11.943 -5.688 1.00 30.31 H new ATOM 0 HG22 ILE A 107 -7.084 12.476 -4.279 1.00 30.31 H new ATOM 0 HG23 ILE A 107 -6.260 12.072 -5.804 1.00 30.31 H new ATOM 0 HD11 ILE A 107 -6.139 8.761 -7.747 1.00 51.25 H new ATOM 0 HD12 ILE A 107 -5.971 10.491 -7.366 1.00 51.25 H new ATOM 0 HD13 ILE A 107 -4.999 9.288 -6.486 1.00 51.25 H new ATOM 1727 N LEU A 108 -4.294 11.593 -2.498 1.00 34.21 N ATOM 1728 CA LEU A 108 -3.983 12.486 -1.374 1.00 23.01 C ATOM 1729 C LEU A 108 -3.975 13.957 -1.814 1.00 21.44 C ATOM 1730 O LEU A 108 -3.043 14.409 -2.472 1.00 73.41 O ATOM 1731 CB LEU A 108 -2.612 12.062 -0.800 1.00 54.13 C ATOM 1732 CG LEU A 108 -2.541 10.586 -0.328 1.00 71.13 C ATOM 1733 CD1 LEU A 108 -1.114 10.184 0.050 1.00 42.22 C ATOM 1734 CD2 LEU A 108 -3.530 10.338 0.831 1.00 10.13 C ATOM 0 H LEU A 108 -3.502 11.432 -3.121 1.00 34.21 H new ATOM 0 HA LEU A 108 -4.751 12.400 -0.606 1.00 23.01 H new ATOM 0 HB2 LEU A 108 -1.848 12.224 -1.560 1.00 54.13 H new ATOM 0 HB3 LEU A 108 -2.368 12.711 0.041 1.00 54.13 H new ATOM 0 HG LEU A 108 -2.837 9.951 -1.163 1.00 71.13 H new ATOM 0 HD11 LEU A 108 -1.103 9.144 0.376 1.00 42.22 H new ATOM 0 HD12 LEU A 108 -0.462 10.300 -0.816 1.00 42.22 H new ATOM 0 HD13 LEU A 108 -0.759 10.821 0.860 1.00 42.22 H new ATOM 0 HD21 LEU A 108 -3.465 9.297 1.148 1.00 10.13 H new ATOM 0 HD22 LEU A 108 -3.279 10.989 1.669 1.00 10.13 H new ATOM 0 HD23 LEU A 108 -4.545 10.553 0.496 1.00 10.13 H new ATOM 1746 N GLU A 109 -5.033 14.703 -1.465 1.00 20.34 N ATOM 1747 CA GLU A 109 -5.110 16.146 -1.751 1.00 61.13 C ATOM 1748 C GLU A 109 -4.612 16.934 -0.530 1.00 62.41 C ATOM 1749 O GLU A 109 -5.358 17.151 0.432 1.00 12.42 O ATOM 1750 CB GLU A 109 -6.556 16.557 -2.147 1.00 42.53 C ATOM 1751 CG GLU A 109 -7.054 15.867 -3.434 1.00 45.23 C ATOM 1752 CD GLU A 109 -8.456 16.314 -3.887 1.00 33.51 C ATOM 1753 OE1 GLU A 109 -9.394 16.294 -3.062 1.00 52.04 O ATOM 1754 OE2 GLU A 109 -8.639 16.650 -5.079 1.00 32.14 O ATOM 0 H GLU A 109 -5.851 14.331 -0.982 1.00 20.34 H new ATOM 0 HA GLU A 109 -4.469 16.380 -2.601 1.00 61.13 H new ATOM 0 HB2 GLU A 109 -7.233 16.315 -1.328 1.00 42.53 H new ATOM 0 HB3 GLU A 109 -6.595 17.638 -2.284 1.00 42.53 H new ATOM 0 HG2 GLU A 109 -6.344 16.065 -4.237 1.00 45.23 H new ATOM 0 HG3 GLU A 109 -7.062 14.789 -3.275 1.00 45.23 H new ATOM 1761 N LEU A 110 -3.318 17.320 -0.561 1.00 3.22 N ATOM 1762 CA LEU A 110 -2.688 18.138 0.507 1.00 32.32 C ATOM 1763 C LEU A 110 -2.734 19.631 0.146 1.00 22.32 C ATOM 1764 O LEU A 110 -1.991 20.445 0.702 1.00 53.32 O ATOM 1765 CB LEU A 110 -1.217 17.694 0.797 1.00 4.02 C ATOM 1766 CG LEU A 110 -0.994 16.234 1.308 1.00 52.13 C ATOM 1767 CD1 LEU A 110 -1.981 15.874 2.434 1.00 62.11 C ATOM 1768 CD2 LEU A 110 -1.027 15.205 0.158 1.00 52.30 C ATOM 0 H LEU A 110 -2.681 17.077 -1.320 1.00 3.22 H new ATOM 0 HA LEU A 110 -3.265 17.976 1.418 1.00 32.32 H new ATOM 0 HB2 LEU A 110 -0.640 17.822 -0.119 1.00 4.02 H new ATOM 0 HB3 LEU A 110 -0.798 18.377 1.536 1.00 4.02 H new ATOM 0 HG LEU A 110 0.009 16.192 1.733 1.00 52.13 H new ATOM 0 HD11 LEU A 110 -1.798 14.852 2.766 1.00 62.11 H new ATOM 0 HD12 LEU A 110 -1.842 16.558 3.272 1.00 62.11 H new ATOM 0 HD13 LEU A 110 -3.002 15.957 2.063 1.00 62.11 H new ATOM 0 HD21 LEU A 110 -0.868 14.205 0.560 1.00 52.30 H new ATOM 0 HD22 LEU A 110 -1.996 15.246 -0.339 1.00 52.30 H new ATOM 0 HD23 LEU A 110 -0.241 15.437 -0.560 1.00 52.30 H new ATOM 1780 N GLU A 111 -3.634 19.983 -0.784 1.00 72.53 N ATOM 1781 CA GLU A 111 -3.947 21.379 -1.110 1.00 15.43 C ATOM 1782 C GLU A 111 -4.598 22.073 0.115 1.00 35.12 C ATOM 1783 O GLU A 111 -4.485 23.288 0.271 1.00 34.53 O ATOM 1784 CB GLU A 111 -4.860 21.465 -2.374 1.00 25.03 C ATOM 1785 CG GLU A 111 -4.223 20.954 -3.704 1.00 14.13 C ATOM 1786 CD GLU A 111 -4.173 19.415 -3.869 1.00 64.00 C ATOM 1787 OE1 GLU A 111 -3.196 18.780 -3.421 1.00 60.23 O ATOM 1788 OE2 GLU A 111 -5.104 18.835 -4.468 1.00 2.10 O ATOM 0 H GLU A 111 -4.165 19.305 -1.331 1.00 72.53 H new ATOM 0 HA GLU A 111 -3.022 21.904 -1.347 1.00 15.43 H new ATOM 0 HB2 GLU A 111 -5.768 20.892 -2.184 1.00 25.03 H new ATOM 0 HB3 GLU A 111 -5.161 22.503 -2.512 1.00 25.03 H new ATOM 0 HG2 GLU A 111 -4.783 21.374 -4.540 1.00 14.13 H new ATOM 0 HG3 GLU A 111 -3.207 21.343 -3.773 1.00 14.13 H new ATOM 1795 N HIS A 112 -5.263 21.258 0.973 1.00 23.52 N ATOM 1796 CA HIS A 112 -5.846 21.671 2.278 1.00 61.44 C ATOM 1797 C HIS A 112 -7.083 22.578 2.111 1.00 71.23 C ATOM 1798 O HIS A 112 -7.522 23.221 3.069 1.00 44.10 O ATOM 1799 CB HIS A 112 -4.774 22.305 3.225 1.00 31.41 C ATOM 1800 CG HIS A 112 -3.634 21.376 3.565 1.00 23.23 C ATOM 1801 ND1 HIS A 112 -2.308 21.718 3.419 1.00 10.30 N ATOM 1802 CD2 HIS A 112 -3.638 20.101 4.023 1.00 12.42 C ATOM 1803 CE1 HIS A 112 -1.552 20.702 3.784 1.00 42.31 C ATOM 1804 NE2 HIS A 112 -2.335 19.712 4.148 1.00 22.34 N ATOM 0 H HIS A 112 -5.413 20.269 0.772 1.00 23.52 H new ATOM 0 HA HIS A 112 -6.197 20.760 2.762 1.00 61.44 H new ATOM 0 HB2 HIS A 112 -4.371 23.201 2.753 1.00 31.41 H new ATOM 0 HB3 HIS A 112 -5.260 22.621 4.148 1.00 31.41 H new ATOM 0 HD2 HIS A 112 -4.509 19.504 4.247 1.00 12.42 H new ATOM 0 HE1 HIS A 112 -0.472 20.686 3.784 1.00 42.31 H new ATOM 0 HE2 HIS A 112 -2.020 18.798 4.472 1.00 22.34 H new ATOM 1813 N HIS A 113 -7.672 22.572 0.901 1.00 4.31 N ATOM 1814 CA HIS A 113 -8.901 23.325 0.578 1.00 42.22 C ATOM 1815 C HIS A 113 -10.095 22.359 0.621 1.00 44.14 C ATOM 1816 O HIS A 113 -10.316 21.594 -0.323 1.00 62.24 O ATOM 1817 CB HIS A 113 -8.777 24.018 -0.816 1.00 22.41 C ATOM 1818 CG HIS A 113 -7.846 25.203 -0.830 1.00 51.11 C ATOM 1819 ND1 HIS A 113 -8.141 26.390 -1.462 1.00 3.34 N ATOM 1820 CD2 HIS A 113 -6.622 25.376 -0.288 1.00 41.55 C ATOM 1821 CE1 HIS A 113 -7.143 27.232 -1.303 1.00 65.22 C ATOM 1822 NE2 HIS A 113 -6.208 26.637 -0.597 1.00 15.24 N ATOM 0 H HIS A 113 -7.306 22.040 0.112 1.00 4.31 H new ATOM 0 HA HIS A 113 -9.054 24.115 1.313 1.00 42.22 H new ATOM 0 HB2 HIS A 113 -8.428 23.286 -1.545 1.00 22.41 H new ATOM 0 HB3 HIS A 113 -9.766 24.342 -1.139 1.00 22.41 H new ATOM 0 HD2 HIS A 113 -6.070 24.647 0.287 1.00 41.55 H new ATOM 0 HE1 HIS A 113 -7.099 28.240 -1.687 1.00 65.22 H new ATOM 0 HE2 HIS A 113 -5.317 27.052 -0.324 1.00 15.24 H new ATOM 1831 N HIS A 114 -10.820 22.375 1.756 1.00 12.45 N ATOM 1832 CA HIS A 114 -11.982 21.500 2.001 1.00 61.13 C ATOM 1833 C HIS A 114 -13.160 21.921 1.111 1.00 14.31 C ATOM 1834 O HIS A 114 -13.664 23.038 1.249 1.00 11.34 O ATOM 1835 CB HIS A 114 -12.405 21.554 3.498 1.00 30.22 C ATOM 1836 CG HIS A 114 -11.420 20.940 4.455 1.00 34.54 C ATOM 1837 ND1 HIS A 114 -11.696 19.794 5.172 1.00 72.24 N ATOM 1838 CD2 HIS A 114 -10.185 21.334 4.854 1.00 4.12 C ATOM 1839 CE1 HIS A 114 -10.682 19.508 5.957 1.00 31.24 C ATOM 1840 NE2 HIS A 114 -9.753 20.427 5.780 1.00 4.41 N ATOM 0 H HIS A 114 -10.614 23.001 2.535 1.00 12.45 H new ATOM 0 HA HIS A 114 -11.697 20.477 1.756 1.00 61.13 H new ATOM 0 HB2 HIS A 114 -12.562 22.595 3.779 1.00 30.22 H new ATOM 0 HB3 HIS A 114 -13.363 21.046 3.609 1.00 30.22 H new ATOM 0 HD2 HIS A 114 -9.645 22.202 4.505 1.00 4.12 H new ATOM 0 HE1 HIS A 114 -10.620 18.666 6.631 1.00 31.24 H new ATOM 0 HE2 HIS A 114 -8.853 20.456 6.259 1.00 4.41 H new ATOM 1849 N HIS A 115 -13.601 21.034 0.206 1.00 50.22 N ATOM 1850 CA HIS A 115 -14.739 21.322 -0.679 1.00 51.52 C ATOM 1851 C HIS A 115 -15.732 20.150 -0.664 1.00 23.00 C ATOM 1852 O HIS A 115 -15.544 19.145 -1.358 1.00 2.43 O ATOM 1853 CB HIS A 115 -14.259 21.637 -2.121 1.00 44.14 C ATOM 1854 CG HIS A 115 -15.352 22.157 -3.023 1.00 53.23 C ATOM 1855 ND1 HIS A 115 -15.561 23.499 -3.249 1.00 4.42 N ATOM 1856 CD2 HIS A 115 -16.305 21.512 -3.741 1.00 42.14 C ATOM 1857 CE1 HIS A 115 -16.590 23.657 -4.054 1.00 55.11 C ATOM 1858 NE2 HIS A 115 -17.057 22.465 -4.371 1.00 1.14 N ATOM 0 H HIS A 115 -13.187 20.112 0.068 1.00 50.22 H new ATOM 0 HA HIS A 115 -15.252 22.209 -0.307 1.00 51.52 H new ATOM 0 HB2 HIS A 115 -13.457 22.373 -2.075 1.00 44.14 H new ATOM 0 HB3 HIS A 115 -13.837 20.733 -2.560 1.00 44.14 H new ATOM 0 HD2 HIS A 115 -16.444 20.443 -3.804 1.00 42.14 H new ATOM 0 HE1 HIS A 115 -16.985 24.602 -4.397 1.00 55.11 H new ATOM 0 HE2 HIS A 115 -17.850 22.283 -4.986 1.00 1.14 H new ATOM 1867 N HIS A 116 -16.758 20.277 0.181 1.00 72.15 N ATOM 1868 CA HIS A 116 -17.963 19.440 0.127 1.00 22.54 C ATOM 1869 C HIS A 116 -19.062 20.273 -0.550 1.00 54.42 C ATOM 1870 O HIS A 116 -19.215 21.453 -0.205 1.00 44.21 O ATOM 1871 CB HIS A 116 -18.397 18.996 1.548 1.00 63.34 C ATOM 1872 CG HIS A 116 -17.363 18.171 2.273 1.00 10.53 C ATOM 1873 ND1 HIS A 116 -16.618 18.651 3.324 1.00 22.54 N ATOM 1874 CD2 HIS A 116 -16.972 16.884 2.105 1.00 52.14 C ATOM 1875 CE1 HIS A 116 -15.821 17.705 3.764 1.00 74.52 C ATOM 1876 NE2 HIS A 116 -16.014 16.624 3.043 1.00 23.14 N ATOM 0 H HIS A 116 -16.778 20.970 0.930 1.00 72.15 H new ATOM 0 HA HIS A 116 -17.770 18.528 -0.439 1.00 22.54 H new ATOM 0 HB2 HIS A 116 -18.622 19.882 2.142 1.00 63.34 H new ATOM 0 HB3 HIS A 116 -19.319 18.420 1.472 1.00 63.34 H new ATOM 0 HD2 HIS A 116 -17.348 16.192 1.366 1.00 52.14 H new ATOM 0 HE1 HIS A 116 -15.123 17.800 4.583 1.00 74.52 H new ATOM 0 HE2 HIS A 116 -15.528 15.736 3.164 1.00 23.14 H new ATOM 1885 N HIS A 117 -19.791 19.656 -1.509 1.00 15.44 N ATOM 1886 CA HIS A 117 -20.775 20.341 -2.388 1.00 4.21 C ATOM 1887 C HIS A 117 -20.030 21.306 -3.365 1.00 73.33 C ATOM 1888 O HIS A 117 -19.715 20.887 -4.497 1.00 43.42 O ATOM 1889 CB HIS A 117 -21.887 21.069 -1.556 1.00 31.14 C ATOM 1890 CG HIS A 117 -22.834 21.924 -2.359 1.00 43.22 C ATOM 1891 ND1 HIS A 117 -22.595 23.260 -2.604 1.00 11.54 N ATOM 1892 CD2 HIS A 117 -24.012 21.642 -2.954 1.00 42.23 C ATOM 1893 CE1 HIS A 117 -23.580 23.758 -3.313 1.00 23.12 C ATOM 1894 NE2 HIS A 117 -24.452 22.797 -3.542 1.00 72.10 N ATOM 1895 OXT HIS A 117 -19.724 22.458 -2.988 1.00 38.12 O ATOM 0 H HIS A 117 -19.713 18.657 -1.698 1.00 15.44 H new ATOM 0 HA HIS A 117 -21.293 19.592 -2.987 1.00 4.21 H new ATOM 0 HB2 HIS A 117 -22.467 20.318 -1.020 1.00 31.14 H new ATOM 0 HB3 HIS A 117 -21.405 21.695 -0.805 1.00 31.14 H new ATOM 0 HD2 HIS A 117 -24.513 20.685 -2.964 1.00 42.23 H new ATOM 0 HE1 HIS A 117 -23.662 24.780 -3.651 1.00 23.12 H new ATOM 0 HE2 HIS A 117 -25.317 22.898 -4.073 1.00 72.10 H new TER 1904 HIS A 117