USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 750 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 43 HIS : no HD1:sc= -0.0238 X(o=-1.9,f=-2) USER MOD Set 1.2: A 76 THR OG1 : rot 0:sc= -1.91! USER MOD Set 2.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 55 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 21 TYR OH : rot 30:sc= -0.0571 USER MOD Single : A 23 LYS NZ :NH3+ -177:sc= 0.632 (180deg=0.623) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.53) USER MOD Single : A 31 SER OG : rot -38:sc= 1.06 USER MOD Single : A 35 HIS : no HE2:sc= -0.831 K(o=-0.83,f=-1.8) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -121:sc=-0.00189 (180deg=-1.1) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -117:sc=0.000402 (180deg=0) USER MOD Single : A 50 SER OG : rot 80:sc= 0.614 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 86:sc= -2! USER MOD Single : A 53 GLN : amide:sc= -1.02 X(o=-1,f=-1.5!) USER MOD Single : A 59 MET CE :methyl 154:sc= -1.73 (180deg=-3.14!) USER MOD Single : A 60 ASN : amide:sc= -4.12! C(o=-4.1!,f=-8.9!) USER MOD Single : A 61 SER OG : rot 160:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -2.04! K(o=-2!,f=-0.0029) USER MOD Single : A 75 HIS : no HD1:sc= -9.06! C(o=-9.1!,f=-5.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -138:sc= -5.94! (180deg=-10.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.105 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : B2706 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : B2716 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B2717 LYS NZ :NH3+ -157:sc= -0.146 (180deg=-0.514) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 20 15.909 -2.253 -2.611 1.00 0.96 N ATOM 2 CA GLU A 20 15.742 -0.873 -3.134 1.00 0.70 C ATOM 3 C GLU A 20 14.391 -0.295 -2.725 1.00 0.59 C ATOM 4 O GLU A 20 13.587 -0.969 -2.081 1.00 0.67 O ATOM 5 CB GLU A 20 15.865 -0.870 -4.660 1.00 1.25 C ATOM 6 CG GLU A 20 17.198 -1.399 -5.165 1.00 1.46 C ATOM 7 CD GLU A 20 18.379 -0.628 -4.606 1.00 1.47 C ATOM 8 OE1 GLU A 20 18.716 0.434 -5.170 1.00 2.00 O ATOM 9 OE2 GLU A 20 18.963 -1.085 -3.600 1.00 1.24 O ATOM 0 HA GLU A 20 16.528 -0.251 -2.707 1.00 0.70 H new ATOM 0 HB2 GLU A 20 15.061 -1.473 -5.082 1.00 1.25 H new ATOM 0 HB3 GLU A 20 15.726 0.147 -5.025 1.00 1.25 H new ATOM 0 HG2 GLU A 20 17.294 -2.450 -4.894 1.00 1.46 H new ATOM 0 HG3 GLU A 20 17.217 -1.347 -6.254 1.00 1.46 H new ATOM 16 N TYR A 21 14.153 0.957 -3.099 1.00 0.54 N ATOM 17 CA TYR A 21 12.899 1.628 -2.775 1.00 0.47 C ATOM 18 C TYR A 21 12.127 1.981 -4.040 1.00 0.46 C ATOM 19 O TYR A 21 12.527 2.867 -4.797 1.00 0.54 O ATOM 20 CB TYR A 21 13.165 2.899 -1.965 1.00 0.47 C ATOM 21 CG TYR A 21 13.320 2.664 -0.479 1.00 0.51 C ATOM 22 CD1 TYR A 21 12.212 2.426 0.323 1.00 0.49 C ATOM 23 CD2 TYR A 21 14.572 2.692 0.121 1.00 0.68 C ATOM 24 CE1 TYR A 21 12.346 2.223 1.683 1.00 0.59 C ATOM 25 CE2 TYR A 21 14.715 2.487 1.480 1.00 0.79 C ATOM 26 CZ TYR A 21 13.600 2.255 2.257 1.00 0.72 C ATOM 27 OH TYR A 21 13.737 2.055 3.612 1.00 0.86 O ATOM 0 H TYR A 21 14.812 1.529 -3.627 1.00 0.54 H new ATOM 0 HA TYR A 21 12.298 0.941 -2.178 1.00 0.47 H new ATOM 0 HB2 TYR A 21 14.070 3.375 -2.343 1.00 0.47 H new ATOM 0 HB3 TYR A 21 12.345 3.599 -2.128 1.00 0.47 H new ATOM 0 HD1 TYR A 21 11.229 2.399 -0.124 1.00 0.49 H new ATOM 0 HD2 TYR A 21 15.447 2.877 -0.484 1.00 0.68 H new ATOM 0 HE1 TYR A 21 11.474 2.040 2.293 1.00 0.59 H new ATOM 0 HE2 TYR A 21 15.696 2.508 1.932 1.00 0.79 H new ATOM 0 HH TYR A 21 13.021 1.466 3.930 1.00 0.86 H new ATOM 37 N ILE A 22 11.020 1.282 -4.266 1.00 0.45 N ATOM 38 CA ILE A 22 10.186 1.533 -5.435 1.00 0.47 C ATOM 39 C ILE A 22 9.054 2.495 -5.089 1.00 0.46 C ATOM 40 O ILE A 22 8.603 2.548 -3.943 1.00 0.50 O ATOM 41 CB ILE A 22 9.598 0.227 -6.011 1.00 0.55 C ATOM 42 CG1 ILE A 22 8.838 -0.547 -4.930 1.00 0.57 C ATOM 43 CG2 ILE A 22 10.705 -0.632 -6.605 1.00 0.62 C ATOM 44 CD1 ILE A 22 7.971 -1.658 -5.481 1.00 0.68 C ATOM 0 H ILE A 22 10.680 0.538 -3.656 1.00 0.45 H new ATOM 0 HA ILE A 22 10.825 1.982 -6.195 1.00 0.47 H new ATOM 0 HB ILE A 22 8.894 0.484 -6.803 1.00 0.55 H new ATOM 0 HG12 ILE A 22 9.554 -0.971 -4.226 1.00 0.57 H new ATOM 0 HG13 ILE A 22 8.212 0.147 -4.369 1.00 0.57 H new ATOM 0 HG21 ILE A 22 10.277 -1.550 -7.008 1.00 0.62 H new ATOM 0 HG22 ILE A 22 11.203 -0.083 -7.404 1.00 0.62 H new ATOM 0 HG23 ILE A 22 11.429 -0.879 -5.829 1.00 0.62 H new ATOM 0 HD11 ILE A 22 7.462 -2.164 -4.660 1.00 0.68 H new ATOM 0 HD12 ILE A 22 7.231 -1.238 -6.163 1.00 0.68 H new ATOM 0 HD13 ILE A 22 8.594 -2.374 -6.018 1.00 0.68 H new ATOM 56 N LYS A 23 8.605 3.261 -6.079 1.00 0.47 N ATOM 57 CA LYS A 23 7.533 4.227 -5.864 1.00 0.49 C ATOM 58 C LYS A 23 6.164 3.596 -6.093 1.00 0.42 C ATOM 59 O LYS A 23 5.785 3.300 -7.227 1.00 0.51 O ATOM 60 CB LYS A 23 7.709 5.439 -6.785 1.00 0.64 C ATOM 61 CG LYS A 23 6.811 6.613 -6.422 1.00 0.75 C ATOM 62 CD LYS A 23 6.689 7.610 -7.567 1.00 0.95 C ATOM 63 CE LYS A 23 8.022 8.264 -7.894 1.00 1.11 C ATOM 64 NZ LYS A 23 7.893 9.260 -8.993 1.00 1.37 N ATOM 0 H LYS A 23 8.965 3.232 -7.033 1.00 0.47 H new ATOM 0 HA LYS A 23 7.589 4.556 -4.826 1.00 0.49 H new ATOM 0 HB2 LYS A 23 8.749 5.763 -6.751 1.00 0.64 H new ATOM 0 HB3 LYS A 23 7.503 5.138 -7.812 1.00 0.64 H new ATOM 0 HG2 LYS A 23 5.821 6.244 -6.155 1.00 0.75 H new ATOM 0 HG3 LYS A 23 7.211 7.117 -5.542 1.00 0.75 H new ATOM 0 HD2 LYS A 23 6.307 7.101 -8.452 1.00 0.95 H new ATOM 0 HD3 LYS A 23 5.963 8.379 -7.303 1.00 0.95 H new ATOM 0 HE2 LYS A 23 8.415 8.754 -7.003 1.00 1.11 H new ATOM 0 HE3 LYS A 23 8.743 7.498 -8.180 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 8.831 9.647 -9.222 1.00 1.37 H new ATOM 0 HZ2 LYS A 23 7.494 8.798 -9.835 1.00 1.37 H new ATOM 0 HZ3 LYS A 23 7.264 10.031 -8.691 1.00 1.37 H new ATOM 78 N LEU A 24 5.434 3.386 -5.006 1.00 0.35 N ATOM 79 CA LEU A 24 4.098 2.811 -5.076 1.00 0.33 C ATOM 80 C LEU A 24 3.063 3.873 -4.724 1.00 0.33 C ATOM 81 O LEU A 24 2.891 4.219 -3.557 1.00 0.34 O ATOM 82 CB LEU A 24 3.970 1.618 -4.124 1.00 0.35 C ATOM 83 CG LEU A 24 4.777 0.379 -4.516 1.00 0.39 C ATOM 84 CD1 LEU A 24 4.753 -0.648 -3.394 1.00 0.49 C ATOM 85 CD2 LEU A 24 4.235 -0.229 -5.801 1.00 0.42 C ATOM 0 H LEU A 24 5.747 3.607 -4.061 1.00 0.35 H new ATOM 0 HA LEU A 24 3.923 2.458 -6.092 1.00 0.33 H new ATOM 0 HB2 LEU A 24 4.281 1.934 -3.128 1.00 0.35 H new ATOM 0 HB3 LEU A 24 2.918 1.340 -4.056 1.00 0.35 H new ATOM 0 HG LEU A 24 5.810 0.683 -4.687 1.00 0.39 H new ATOM 0 HD11 LEU A 24 5.332 -1.523 -3.689 1.00 0.49 H new ATOM 0 HD12 LEU A 24 5.187 -0.213 -2.493 1.00 0.49 H new ATOM 0 HD13 LEU A 24 3.723 -0.945 -3.194 1.00 0.49 H new ATOM 0 HD21 LEU A 24 4.822 -1.109 -6.063 1.00 0.42 H new ATOM 0 HD22 LEU A 24 3.194 -0.517 -5.656 1.00 0.42 H new ATOM 0 HD23 LEU A 24 4.300 0.503 -6.606 1.00 0.42 H new ATOM 97 N LYS A 25 2.389 4.396 -5.740 1.00 0.37 N ATOM 98 CA LYS A 25 1.380 5.429 -5.531 1.00 0.41 C ATOM 99 C LYS A 25 0.084 4.837 -4.994 1.00 0.42 C ATOM 100 O LYS A 25 -0.703 4.259 -5.745 1.00 0.46 O ATOM 101 CB LYS A 25 1.110 6.185 -6.833 1.00 0.48 C ATOM 102 CG LYS A 25 2.196 7.184 -7.191 1.00 0.50 C ATOM 103 CD LYS A 25 1.825 7.978 -8.432 1.00 0.64 C ATOM 104 CE LYS A 25 2.812 9.104 -8.687 1.00 0.67 C ATOM 105 NZ LYS A 25 2.470 9.872 -9.916 1.00 0.85 N ATOM 0 H LYS A 25 2.521 4.124 -6.714 1.00 0.37 H new ATOM 0 HA LYS A 25 1.769 6.126 -4.789 1.00 0.41 H new ATOM 0 HB2 LYS A 25 1.006 5.466 -7.646 1.00 0.48 H new ATOM 0 HB3 LYS A 25 0.158 6.710 -6.748 1.00 0.48 H new ATOM 0 HG2 LYS A 25 2.357 7.865 -6.355 1.00 0.50 H new ATOM 0 HG3 LYS A 25 3.136 6.658 -7.360 1.00 0.50 H new ATOM 0 HD2 LYS A 25 1.798 7.314 -9.296 1.00 0.64 H new ATOM 0 HD3 LYS A 25 0.823 8.390 -8.315 1.00 0.64 H new ATOM 0 HE2 LYS A 25 2.825 9.777 -7.830 1.00 0.67 H new ATOM 0 HE3 LYS A 25 3.816 8.692 -8.784 1.00 0.67 H new ATOM 0 HZ1 LYS A 25 3.167 10.631 -10.056 1.00 0.85 H new ATOM 0 HZ2 LYS A 25 2.482 9.235 -10.738 1.00 0.85 H new ATOM 0 HZ3 LYS A 25 1.522 10.287 -9.814 1.00 0.85 H new ATOM 119 N VAL A 26 -0.127 4.978 -3.688 1.00 0.42 N ATOM 120 CA VAL A 26 -1.333 4.468 -3.052 1.00 0.45 C ATOM 121 C VAL A 26 -2.462 5.485 -3.179 1.00 0.49 C ATOM 122 O VAL A 26 -2.534 6.465 -2.435 1.00 0.49 O ATOM 123 CB VAL A 26 -1.098 4.115 -1.569 1.00 0.44 C ATOM 124 CG1 VAL A 26 -2.371 3.575 -0.934 1.00 0.48 C ATOM 125 CG2 VAL A 26 0.029 3.102 -1.443 1.00 0.43 C ATOM 0 H VAL A 26 0.522 5.441 -3.052 1.00 0.42 H new ATOM 0 HA VAL A 26 -1.613 3.549 -3.566 1.00 0.45 H new ATOM 0 HB VAL A 26 -0.814 5.024 -1.040 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -2.182 3.333 0.112 1.00 0.48 H new ATOM 0 HG12 VAL A 26 -3.156 4.329 -0.995 1.00 0.48 H new ATOM 0 HG13 VAL A 26 -2.688 2.676 -1.463 1.00 0.48 H new ATOM 0 HG21 VAL A 26 0.186 2.861 -0.392 1.00 0.43 H new ATOM 0 HG22 VAL A 26 -0.234 2.195 -1.988 1.00 0.43 H new ATOM 0 HG23 VAL A 26 0.945 3.523 -1.859 1.00 0.43 H new ATOM 135 N ILE A 27 -3.325 5.239 -4.150 1.00 0.54 N ATOM 136 CA ILE A 27 -4.453 6.105 -4.443 1.00 0.59 C ATOM 137 C ILE A 27 -5.742 5.554 -3.860 1.00 0.63 C ATOM 138 O ILE A 27 -6.175 4.456 -4.209 1.00 0.67 O ATOM 139 CB ILE A 27 -4.632 6.276 -5.956 1.00 0.65 C ATOM 140 CG1 ILE A 27 -3.461 7.076 -6.527 1.00 0.64 C ATOM 141 CG2 ILE A 27 -5.944 6.976 -6.249 1.00 0.72 C ATOM 142 CD1 ILE A 27 -3.557 7.325 -8.018 1.00 0.72 C ATOM 0 H ILE A 27 -3.261 4.426 -4.762 1.00 0.54 H new ATOM 0 HA ILE A 27 -4.238 7.071 -3.986 1.00 0.59 H new ATOM 0 HB ILE A 27 -4.651 5.294 -6.428 1.00 0.65 H new ATOM 0 HG12 ILE A 27 -3.403 8.035 -6.011 1.00 0.64 H new ATOM 0 HG13 ILE A 27 -2.533 6.544 -6.316 1.00 0.64 H new ATOM 0 HG21 ILE A 27 -6.062 7.093 -7.326 1.00 0.72 H new ATOM 0 HG22 ILE A 27 -6.769 6.382 -5.856 1.00 0.72 H new ATOM 0 HG23 ILE A 27 -5.946 7.958 -5.775 1.00 0.72 H new ATOM 0 HD11 ILE A 27 -2.690 7.898 -8.348 1.00 0.72 H new ATOM 0 HD12 ILE A 27 -3.583 6.371 -8.545 1.00 0.72 H new ATOM 0 HD13 ILE A 27 -4.466 7.885 -8.236 1.00 0.72 H new ATOM 154 N GLY A 28 -6.351 6.333 -2.972 1.00 0.64 N ATOM 155 CA GLY A 28 -7.592 5.919 -2.343 1.00 0.69 C ATOM 156 C GLY A 28 -8.801 6.124 -3.234 1.00 0.77 C ATOM 157 O GLY A 28 -8.661 6.326 -4.441 1.00 0.79 O ATOM 0 H GLY A 28 -6.006 7.246 -2.676 1.00 0.64 H new ATOM 0 HA2 GLY A 28 -7.522 4.866 -2.071 1.00 0.69 H new ATOM 0 HA3 GLY A 28 -7.729 6.479 -1.418 1.00 0.69 H new ATOM 161 N GLN A 29 -9.992 6.081 -2.643 1.00 0.82 N ATOM 162 CA GLN A 29 -11.214 6.256 -3.415 1.00 0.90 C ATOM 163 C GLN A 29 -11.970 7.511 -3.007 1.00 0.92 C ATOM 164 O GLN A 29 -13.187 7.493 -2.840 1.00 0.99 O ATOM 165 CB GLN A 29 -12.112 5.028 -3.258 1.00 0.96 C ATOM 166 CG GLN A 29 -12.875 4.703 -4.522 1.00 1.04 C ATOM 167 CD GLN A 29 -11.965 4.682 -5.735 1.00 1.02 C ATOM 168 OE1 GLN A 29 -11.110 3.803 -5.871 1.00 1.00 O ATOM 169 NE2 GLN A 29 -12.128 5.666 -6.616 1.00 1.05 N ATOM 0 H GLN A 29 -10.135 5.928 -1.645 1.00 0.82 H new ATOM 0 HA GLN A 29 -10.930 6.370 -4.461 1.00 0.90 H new ATOM 0 HB2 GLN A 29 -11.502 4.170 -2.975 1.00 0.96 H new ATOM 0 HB3 GLN A 29 -12.818 5.200 -2.445 1.00 0.96 H new ATOM 0 HG2 GLN A 29 -13.361 3.733 -4.415 1.00 1.04 H new ATOM 0 HG3 GLN A 29 -13.664 5.440 -4.671 1.00 1.04 H new ATOM 0 HE21 GLN A 29 -12.848 6.372 -6.464 1.00 1.05 H new ATOM 0 HE22 GLN A 29 -11.533 5.714 -7.443 1.00 1.05 H new ATOM 178 N ASP A 30 -11.228 8.602 -2.854 1.00 0.88 N ATOM 179 CA ASP A 30 -11.796 9.886 -2.465 1.00 0.92 C ATOM 180 C ASP A 30 -10.783 11.004 -2.695 1.00 0.89 C ATOM 181 O ASP A 30 -10.810 12.037 -2.022 1.00 0.91 O ATOM 182 CB ASP A 30 -12.235 9.846 -0.992 1.00 0.92 C ATOM 183 CG ASP A 30 -11.174 9.262 -0.072 1.00 0.86 C ATOM 184 OD1 ASP A 30 -10.058 8.969 -0.554 1.00 0.81 O ATOM 185 OD2 ASP A 30 -11.456 9.099 1.136 1.00 0.88 O ATOM 0 H ASP A 30 -10.218 8.621 -2.996 1.00 0.88 H new ATOM 0 HA ASP A 30 -12.672 10.085 -3.082 1.00 0.92 H new ATOM 0 HB2 ASP A 30 -12.477 10.857 -0.663 1.00 0.92 H new ATOM 0 HB3 ASP A 30 -13.147 9.256 -0.906 1.00 0.92 H new ATOM 190 N SER A 31 -9.902 10.775 -3.668 1.00 0.87 N ATOM 191 CA SER A 31 -8.852 11.717 -4.049 1.00 0.86 C ATOM 192 C SER A 31 -7.719 11.806 -3.017 1.00 0.80 C ATOM 193 O SER A 31 -6.889 12.722 -3.058 1.00 0.81 O ATOM 194 CB SER A 31 -9.450 13.104 -4.301 1.00 0.93 C ATOM 195 OG SER A 31 -8.460 14.010 -4.757 1.00 0.95 O ATOM 0 H SER A 31 -9.898 9.918 -4.221 1.00 0.87 H new ATOM 0 HA SER A 31 -8.408 11.335 -4.968 1.00 0.86 H new ATOM 0 HB2 SER A 31 -10.248 13.031 -5.039 1.00 0.93 H new ATOM 0 HB3 SER A 31 -9.899 13.483 -3.383 1.00 0.93 H new ATOM 0 HG SER A 31 -7.618 13.840 -4.285 1.00 0.95 H new ATOM 201 N SER A 32 -7.692 10.844 -2.098 1.00 0.75 N ATOM 202 CA SER A 32 -6.664 10.786 -1.070 1.00 0.71 C ATOM 203 C SER A 32 -5.449 10.050 -1.619 1.00 0.65 C ATOM 204 O SER A 32 -5.442 8.822 -1.680 1.00 0.62 O ATOM 205 CB SER A 32 -7.194 10.047 0.159 1.00 0.71 C ATOM 206 OG SER A 32 -6.164 9.820 1.105 1.00 0.69 O ATOM 0 H SER A 32 -8.377 10.090 -2.047 1.00 0.75 H new ATOM 0 HA SER A 32 -6.385 11.800 -0.782 1.00 0.71 H new ATOM 0 HB2 SER A 32 -7.993 10.628 0.620 1.00 0.71 H new ATOM 0 HB3 SER A 32 -7.628 9.095 -0.145 1.00 0.71 H new ATOM 0 HG SER A 32 -6.531 9.347 1.881 1.00 0.69 H new ATOM 212 N GLU A 33 -4.407 10.790 -1.994 1.00 0.64 N ATOM 213 CA GLU A 33 -3.209 10.158 -2.535 1.00 0.59 C ATOM 214 C GLU A 33 -2.060 10.263 -1.539 1.00 0.55 C ATOM 215 O GLU A 33 -1.974 11.232 -0.794 1.00 0.69 O ATOM 216 CB GLU A 33 -2.815 10.803 -3.869 1.00 0.64 C ATOM 217 CG GLU A 33 -1.663 10.097 -4.573 1.00 0.56 C ATOM 218 CD GLU A 33 -1.253 10.785 -5.860 1.00 0.64 C ATOM 219 OE1 GLU A 33 -1.978 10.641 -6.867 1.00 1.12 O ATOM 220 OE2 GLU A 33 -0.204 11.464 -5.863 1.00 0.84 O ATOM 0 H GLU A 33 -4.368 11.808 -1.935 1.00 0.64 H new ATOM 0 HA GLU A 33 -3.425 9.104 -2.711 1.00 0.59 H new ATOM 0 HB2 GLU A 33 -3.682 10.811 -4.529 1.00 0.64 H new ATOM 0 HB3 GLU A 33 -2.539 11.843 -3.693 1.00 0.64 H new ATOM 0 HG2 GLU A 33 -0.806 10.051 -3.901 1.00 0.56 H new ATOM 0 HG3 GLU A 33 -1.952 9.069 -4.792 1.00 0.56 H new ATOM 227 N ILE A 34 -1.206 9.238 -1.500 1.00 0.45 N ATOM 228 CA ILE A 34 -0.051 9.223 -0.602 1.00 0.41 C ATOM 229 C ILE A 34 1.131 8.519 -1.274 1.00 0.37 C ATOM 230 O ILE A 34 0.946 7.509 -1.955 1.00 0.34 O ATOM 231 CB ILE A 34 -0.361 8.521 0.751 1.00 0.42 C ATOM 232 CG1 ILE A 34 -1.577 9.160 1.437 1.00 0.48 C ATOM 233 CG2 ILE A 34 0.850 8.585 1.674 1.00 0.49 C ATOM 234 CD1 ILE A 34 -1.871 8.607 2.816 1.00 0.57 C ATOM 0 H ILE A 34 -1.294 8.405 -2.082 1.00 0.45 H new ATOM 0 HA ILE A 34 0.199 10.263 -0.391 1.00 0.41 H new ATOM 0 HB ILE A 34 -0.593 7.477 0.541 1.00 0.42 H new ATOM 0 HG12 ILE A 34 -1.413 10.235 1.516 1.00 0.48 H new ATOM 0 HG13 ILE A 34 -2.454 9.017 0.805 1.00 0.48 H new ATOM 0 HG21 ILE A 34 0.616 8.089 2.616 1.00 0.49 H new ATOM 0 HG22 ILE A 34 1.695 8.085 1.201 1.00 0.49 H new ATOM 0 HG23 ILE A 34 1.106 9.627 1.866 1.00 0.49 H new ATOM 0 HD11 ILE A 34 -2.744 9.111 3.231 1.00 0.57 H new ATOM 0 HD12 ILE A 34 -2.069 7.538 2.745 1.00 0.57 H new ATOM 0 HD13 ILE A 34 -1.012 8.774 3.466 1.00 0.57 H new ATOM 246 N HIS A 35 2.347 9.047 -1.085 1.00 0.41 N ATOM 247 CA HIS A 35 3.530 8.432 -1.681 1.00 0.40 C ATOM 248 C HIS A 35 4.096 7.366 -0.756 1.00 0.40 C ATOM 249 O HIS A 35 4.445 7.639 0.393 1.00 0.58 O ATOM 250 CB HIS A 35 4.603 9.481 -1.976 1.00 0.54 C ATOM 251 CG HIS A 35 4.569 9.997 -3.381 1.00 0.61 C ATOM 252 ND1 HIS A 35 4.782 11.314 -3.722 1.00 0.82 N ATOM 253 CD2 HIS A 35 4.349 9.339 -4.548 1.00 0.77 C ATOM 254 CE1 HIS A 35 4.689 11.414 -5.055 1.00 0.90 C ATOM 255 NE2 HIS A 35 4.427 10.243 -5.603 1.00 0.91 N ATOM 0 H HIS A 35 2.532 9.885 -0.533 1.00 0.41 H new ATOM 0 HA HIS A 35 3.229 7.969 -2.621 1.00 0.40 H new ATOM 0 HB2 HIS A 35 4.480 10.317 -1.288 1.00 0.54 H new ATOM 0 HB3 HIS A 35 5.584 9.049 -1.780 1.00 0.54 H new ATOM 0 HD1 HIS A 35 4.976 12.078 -3.075 1.00 0.82 H new ATOM 0 HD2 HIS A 35 4.146 8.282 -4.642 1.00 0.77 H new ATOM 0 HE1 HIS A 35 4.812 12.333 -5.608 1.00 0.90 H new ATOM 263 N PHE A 36 4.178 6.146 -1.278 1.00 0.39 N ATOM 264 CA PHE A 36 4.671 5.011 -0.509 1.00 0.48 C ATOM 265 C PHE A 36 5.962 4.439 -1.085 1.00 0.45 C ATOM 266 O PHE A 36 6.014 4.042 -2.248 1.00 0.54 O ATOM 267 CB PHE A 36 3.613 3.905 -0.482 1.00 0.65 C ATOM 268 CG PHE A 36 2.706 3.942 0.713 1.00 0.66 C ATOM 269 CD1 PHE A 36 1.906 5.045 0.965 1.00 0.73 C ATOM 270 CD2 PHE A 36 2.649 2.864 1.580 1.00 1.39 C ATOM 271 CE1 PHE A 36 1.070 5.070 2.062 1.00 0.80 C ATOM 272 CE2 PHE A 36 1.814 2.885 2.678 1.00 1.54 C ATOM 273 CZ PHE A 36 1.024 3.990 2.920 1.00 0.99 C ATOM 0 H PHE A 36 3.908 5.919 -2.235 1.00 0.39 H new ATOM 0 HA PHE A 36 4.879 5.372 0.498 1.00 0.48 H new ATOM 0 HB2 PHE A 36 3.007 3.977 -1.385 1.00 0.65 H new ATOM 0 HB3 PHE A 36 4.115 2.938 -0.512 1.00 0.65 H new ATOM 0 HD1 PHE A 36 1.937 5.893 0.297 1.00 0.73 H new ATOM 0 HD2 PHE A 36 3.265 1.997 1.395 1.00 1.39 H new ATOM 0 HE1 PHE A 36 0.451 5.935 2.250 1.00 0.80 H new ATOM 0 HE2 PHE A 36 1.779 2.038 3.347 1.00 1.54 H new ATOM 0 HZ PHE A 36 0.371 4.010 3.780 1.00 0.99 H new ATOM 283 N LYS A 37 7.004 4.404 -0.261 1.00 0.43 N ATOM 284 CA LYS A 37 8.279 3.827 -0.662 1.00 0.42 C ATOM 285 C LYS A 37 8.487 2.547 0.132 1.00 0.39 C ATOM 286 O LYS A 37 8.758 2.589 1.331 1.00 0.38 O ATOM 287 CB LYS A 37 9.428 4.808 -0.416 1.00 0.47 C ATOM 288 CG LYS A 37 9.363 6.046 -1.293 1.00 0.56 C ATOM 289 CD LYS A 37 10.563 6.951 -1.069 1.00 0.65 C ATOM 290 CE LYS A 37 10.493 8.190 -1.948 1.00 0.80 C ATOM 291 NZ LYS A 37 11.663 9.087 -1.743 1.00 0.94 N ATOM 0 H LYS A 37 6.989 4.770 0.691 1.00 0.43 H new ATOM 0 HA LYS A 37 8.266 3.609 -1.730 1.00 0.42 H new ATOM 0 HB2 LYS A 37 9.418 5.112 0.631 1.00 0.47 H new ATOM 0 HB3 LYS A 37 10.375 4.298 -0.591 1.00 0.47 H new ATOM 0 HG2 LYS A 37 9.321 5.749 -2.341 1.00 0.56 H new ATOM 0 HG3 LYS A 37 8.446 6.596 -1.080 1.00 0.56 H new ATOM 0 HD2 LYS A 37 10.606 7.248 -0.021 1.00 0.65 H new ATOM 0 HD3 LYS A 37 11.480 6.402 -1.283 1.00 0.65 H new ATOM 0 HE2 LYS A 37 10.446 7.890 -2.995 1.00 0.80 H new ATOM 0 HE3 LYS A 37 9.575 8.736 -1.732 1.00 0.80 H new ATOM 0 HZ1 LYS A 37 11.575 9.919 -2.361 1.00 0.94 H new ATOM 0 HZ2 LYS A 37 11.694 9.395 -0.750 1.00 0.94 H new ATOM 0 HZ3 LYS A 37 12.538 8.575 -1.974 1.00 0.94 H new ATOM 305 N VAL A 38 8.365 1.410 -0.542 1.00 0.42 N ATOM 306 CA VAL A 38 8.481 0.111 0.114 1.00 0.44 C ATOM 307 C VAL A 38 9.781 -0.605 -0.228 1.00 0.46 C ATOM 308 O VAL A 38 10.162 -0.693 -1.397 1.00 0.52 O ATOM 309 CB VAL A 38 7.283 -0.791 -0.274 1.00 0.49 C ATOM 310 CG1 VAL A 38 7.450 -2.210 0.256 1.00 0.60 C ATOM 311 CG2 VAL A 38 5.978 -0.189 0.223 1.00 0.53 C ATOM 0 H VAL A 38 8.185 1.360 -1.545 1.00 0.42 H new ATOM 0 HA VAL A 38 8.480 0.300 1.188 1.00 0.44 H new ATOM 0 HB VAL A 38 7.254 -0.846 -1.362 1.00 0.49 H new ATOM 0 HG11 VAL A 38 6.589 -2.811 -0.037 1.00 0.60 H new ATOM 0 HG12 VAL A 38 8.358 -2.649 -0.159 1.00 0.60 H new ATOM 0 HG13 VAL A 38 7.523 -2.186 1.343 1.00 0.60 H new ATOM 0 HG21 VAL A 38 5.148 -0.837 -0.059 1.00 0.53 H new ATOM 0 HG22 VAL A 38 6.011 -0.094 1.308 1.00 0.53 H new ATOM 0 HG23 VAL A 38 5.838 0.795 -0.224 1.00 0.53 H new ATOM 321 N LYS A 39 10.476 -1.096 0.808 1.00 0.47 N ATOM 322 CA LYS A 39 11.705 -1.854 0.601 1.00 0.53 C ATOM 323 C LYS A 39 11.383 -3.154 -0.132 1.00 0.57 C ATOM 324 O LYS A 39 10.397 -3.821 0.183 1.00 0.65 O ATOM 325 CB LYS A 39 12.379 -2.162 1.940 1.00 0.61 C ATOM 326 CG LYS A 39 13.608 -1.312 2.219 1.00 0.53 C ATOM 327 CD LYS A 39 14.264 -1.702 3.534 1.00 1.09 C ATOM 328 CE LYS A 39 15.546 -0.921 3.775 1.00 1.08 C ATOM 329 NZ LYS A 39 16.231 -1.353 5.024 1.00 1.98 N ATOM 0 H LYS A 39 10.207 -0.980 1.785 1.00 0.47 H new ATOM 0 HA LYS A 39 12.391 -1.257 0.000 1.00 0.53 H new ATOM 0 HB2 LYS A 39 11.656 -2.013 2.742 1.00 0.61 H new ATOM 0 HB3 LYS A 39 12.664 -3.214 1.959 1.00 0.61 H new ATOM 0 HG2 LYS A 39 14.324 -1.426 1.405 1.00 0.53 H new ATOM 0 HG3 LYS A 39 13.325 -0.260 2.249 1.00 0.53 H new ATOM 0 HD2 LYS A 39 13.569 -1.523 4.355 1.00 1.09 H new ATOM 0 HD3 LYS A 39 14.484 -2.770 3.529 1.00 1.09 H new ATOM 0 HE2 LYS A 39 16.218 -1.055 2.927 1.00 1.08 H new ATOM 0 HE3 LYS A 39 15.317 0.143 3.835 1.00 1.08 H new ATOM 0 HZ1 LYS A 39 17.101 -0.797 5.153 1.00 1.98 H new ATOM 0 HZ2 LYS A 39 15.600 -1.202 5.836 1.00 1.98 H new ATOM 0 HZ3 LYS A 39 16.472 -2.362 4.956 1.00 1.98 H new ATOM 343 N MET A 40 12.213 -3.513 -1.110 1.00 0.63 N ATOM 344 CA MET A 40 11.989 -4.731 -1.891 1.00 0.72 C ATOM 345 C MET A 40 12.405 -5.987 -1.124 1.00 0.75 C ATOM 346 O MET A 40 12.394 -7.092 -1.671 1.00 0.85 O ATOM 347 CB MET A 40 12.729 -4.653 -3.229 1.00 0.85 C ATOM 348 CG MET A 40 12.123 -3.647 -4.196 1.00 0.94 C ATOM 349 SD MET A 40 12.245 -4.171 -5.918 1.00 1.31 S ATOM 350 CE MET A 40 14.013 -4.078 -6.186 1.00 1.48 C ATOM 0 H MET A 40 13.041 -2.983 -1.380 1.00 0.63 H new ATOM 0 HA MET A 40 10.918 -4.804 -2.081 1.00 0.72 H new ATOM 0 HB2 MET A 40 13.770 -4.388 -3.045 1.00 0.85 H new ATOM 0 HB3 MET A 40 12.729 -5.639 -3.694 1.00 0.85 H new ATOM 0 HG2 MET A 40 11.075 -3.492 -3.942 1.00 0.94 H new ATOM 0 HG3 MET A 40 12.625 -2.687 -4.077 1.00 0.94 H new ATOM 0 HE1 MET A 40 14.222 -3.384 -7.000 1.00 1.48 H new ATOM 0 HE2 MET A 40 14.501 -3.727 -5.277 1.00 1.48 H new ATOM 0 HE3 MET A 40 14.394 -5.066 -6.445 1.00 1.48 H new ATOM 360 N THR A 41 12.764 -5.811 0.143 1.00 0.74 N ATOM 361 CA THR A 41 13.164 -6.923 0.995 1.00 0.82 C ATOM 362 C THR A 41 12.048 -7.253 1.987 1.00 0.78 C ATOM 363 O THR A 41 12.013 -8.339 2.568 1.00 0.96 O ATOM 364 CB THR A 41 14.455 -6.596 1.771 1.00 0.94 C ATOM 365 OG1 THR A 41 15.320 -5.782 0.965 1.00 1.32 O ATOM 366 CG2 THR A 41 15.189 -7.868 2.169 1.00 1.14 C ATOM 0 H THR A 41 12.786 -4.902 0.604 1.00 0.74 H new ATOM 0 HA THR A 41 13.353 -7.783 0.353 1.00 0.82 H new ATOM 0 HB THR A 41 14.177 -6.055 2.675 1.00 0.94 H new ATOM 0 HG1 THR A 41 16.137 -5.577 1.466 1.00 1.32 H new ATOM 0 HG21 THR A 41 16.096 -7.609 2.715 1.00 1.14 H new ATOM 0 HG22 THR A 41 14.545 -8.476 2.804 1.00 1.14 H new ATOM 0 HG23 THR A 41 15.453 -8.431 1.274 1.00 1.14 H new ATOM 374 N THR A 42 11.132 -6.303 2.166 1.00 0.71 N ATOM 375 CA THR A 42 10.009 -6.470 3.082 1.00 0.73 C ATOM 376 C THR A 42 8.719 -6.770 2.326 1.00 0.66 C ATOM 377 O THR A 42 8.551 -6.357 1.178 1.00 0.63 O ATOM 378 CB THR A 42 9.798 -5.215 3.952 1.00 0.84 C ATOM 379 OG1 THR A 42 9.645 -4.058 3.120 1.00 0.81 O ATOM 380 CG2 THR A 42 10.968 -5.010 4.902 1.00 1.32 C ATOM 0 H THR A 42 11.148 -5.404 1.684 1.00 0.71 H new ATOM 0 HA THR A 42 10.255 -7.314 3.727 1.00 0.73 H new ATOM 0 HB THR A 42 8.893 -5.360 4.541 1.00 0.84 H new ATOM 0 HG1 THR A 42 9.510 -3.267 3.682 1.00 0.81 H new ATOM 0 HG21 THR A 42 10.795 -4.118 5.505 1.00 1.32 H new ATOM 0 HG22 THR A 42 11.062 -5.877 5.556 1.00 1.32 H new ATOM 0 HG23 THR A 42 11.886 -4.887 4.327 1.00 1.32 H new ATOM 388 N HIS A 43 7.815 -7.502 2.977 1.00 0.70 N ATOM 389 CA HIS A 43 6.533 -7.859 2.376 1.00 0.71 C ATOM 390 C HIS A 43 5.621 -6.641 2.260 1.00 0.67 C ATOM 391 O HIS A 43 5.897 -5.586 2.837 1.00 0.67 O ATOM 392 CB HIS A 43 5.839 -8.948 3.201 1.00 0.82 C ATOM 393 CG HIS A 43 6.597 -10.238 3.258 1.00 0.84 C ATOM 394 ND1 HIS A 43 7.426 -10.596 4.297 1.00 0.93 N ATOM 395 CD2 HIS A 43 6.636 -11.269 2.375 1.00 0.97 C ATOM 396 CE1 HIS A 43 7.934 -11.804 4.020 1.00 0.94 C ATOM 397 NE2 HIS A 43 7.485 -12.258 2.866 1.00 0.94 N ATOM 0 H HIS A 43 7.949 -7.859 3.923 1.00 0.70 H new ATOM 0 HA HIS A 43 6.731 -8.240 1.374 1.00 0.71 H new ATOM 0 HB2 HIS A 43 5.688 -8.581 4.216 1.00 0.82 H new ATOM 0 HB3 HIS A 43 4.851 -9.136 2.780 1.00 0.82 H new ATOM 0 HD2 HIS A 43 6.095 -11.315 1.441 1.00 0.97 H new ATOM 0 HE1 HIS A 43 8.622 -12.337 4.659 1.00 0.94 H new ATOM 0 HE2 HIS A 43 7.712 -13.149 2.424 1.00 0.94 H new ATOM 405 N LEU A 44 4.527 -6.794 1.518 1.00 0.66 N ATOM 406 CA LEU A 44 3.570 -5.708 1.327 1.00 0.64 C ATOM 407 C LEU A 44 2.657 -5.554 2.538 1.00 0.63 C ATOM 408 O LEU A 44 1.790 -4.680 2.563 1.00 0.58 O ATOM 409 CB LEU A 44 2.729 -5.944 0.074 1.00 0.64 C ATOM 410 CG LEU A 44 3.493 -5.871 -1.248 1.00 0.69 C ATOM 411 CD1 LEU A 44 2.550 -6.109 -2.414 1.00 0.72 C ATOM 412 CD2 LEU A 44 4.193 -4.528 -1.393 1.00 0.68 C ATOM 0 H LEU A 44 4.281 -7.660 1.039 1.00 0.66 H new ATOM 0 HA LEU A 44 4.141 -4.787 1.206 1.00 0.64 H new ATOM 0 HB2 LEU A 44 2.260 -6.925 0.150 1.00 0.64 H new ATOM 0 HB3 LEU A 44 1.925 -5.208 0.052 1.00 0.64 H new ATOM 0 HG LEU A 44 4.254 -6.652 -1.250 1.00 0.69 H new ATOM 0 HD11 LEU A 44 3.107 -6.054 -3.349 1.00 0.72 H new ATOM 0 HD12 LEU A 44 2.096 -7.095 -2.319 1.00 0.72 H new ATOM 0 HD13 LEU A 44 1.769 -5.348 -2.412 1.00 0.72 H new ATOM 0 HD21 LEU A 44 4.730 -4.498 -2.341 1.00 0.68 H new ATOM 0 HD22 LEU A 44 3.453 -3.728 -1.370 1.00 0.68 H new ATOM 0 HD23 LEU A 44 4.898 -4.394 -0.572 1.00 0.68 H new ATOM 424 N LYS A 45 2.851 -6.410 3.539 1.00 0.68 N ATOM 425 CA LYS A 45 2.052 -6.350 4.754 1.00 0.70 C ATOM 426 C LYS A 45 2.416 -5.104 5.556 1.00 0.69 C ATOM 427 O LYS A 45 1.573 -4.531 6.241 1.00 0.69 O ATOM 428 CB LYS A 45 2.257 -7.606 5.599 1.00 0.78 C ATOM 429 CG LYS A 45 1.205 -7.777 6.681 1.00 0.82 C ATOM 430 CD LYS A 45 1.300 -9.137 7.347 1.00 0.85 C ATOM 431 CE LYS A 45 0.184 -9.330 8.358 1.00 0.90 C ATOM 432 NZ LYS A 45 0.181 -10.704 8.929 1.00 0.93 N ATOM 0 H LYS A 45 3.553 -7.150 3.530 1.00 0.68 H new ATOM 0 HA LYS A 45 1.000 -6.297 4.475 1.00 0.70 H new ATOM 0 HB2 LYS A 45 2.245 -8.480 4.948 1.00 0.78 H new ATOM 0 HB3 LYS A 45 3.243 -7.567 6.062 1.00 0.78 H new ATOM 0 HG2 LYS A 45 1.324 -6.995 7.431 1.00 0.82 H new ATOM 0 HG3 LYS A 45 0.213 -7.653 6.247 1.00 0.82 H new ATOM 0 HD2 LYS A 45 1.249 -9.920 6.591 1.00 0.85 H new ATOM 0 HD3 LYS A 45 2.265 -9.236 7.843 1.00 0.85 H new ATOM 0 HE2 LYS A 45 0.294 -8.603 9.163 1.00 0.90 H new ATOM 0 HE3 LYS A 45 -0.776 -9.134 7.880 1.00 0.90 H new ATOM 0 HZ1 LYS A 45 -0.596 -10.793 9.614 1.00 0.93 H new ATOM 0 HZ2 LYS A 45 0.050 -11.397 8.165 1.00 0.93 H new ATOM 0 HZ3 LYS A 45 1.087 -10.883 9.407 1.00 0.93 H new ATOM 446 N LYS A 46 3.679 -4.686 5.450 1.00 0.71 N ATOM 447 CA LYS A 46 4.155 -3.494 6.145 1.00 0.74 C ATOM 448 C LYS A 46 3.561 -2.246 5.504 1.00 0.64 C ATOM 449 O LYS A 46 3.342 -1.238 6.173 1.00 0.64 O ATOM 450 CB LYS A 46 5.683 -3.431 6.122 1.00 0.81 C ATOM 451 CG LYS A 46 6.351 -4.395 7.092 1.00 0.88 C ATOM 452 CD LYS A 46 6.079 -4.009 8.539 1.00 0.99 C ATOM 453 CE LYS A 46 6.774 -4.950 9.508 1.00 1.10 C ATOM 454 NZ LYS A 46 6.464 -4.614 10.926 1.00 1.27 N ATOM 0 H LYS A 46 4.389 -5.157 4.889 1.00 0.71 H new ATOM 0 HA LYS A 46 3.832 -3.544 7.185 1.00 0.74 H new ATOM 0 HB2 LYS A 46 6.031 -3.647 5.112 1.00 0.81 H new ATOM 0 HB3 LYS A 46 5.999 -2.415 6.358 1.00 0.81 H new ATOM 0 HG2 LYS A 46 5.987 -5.406 6.910 1.00 0.88 H new ATOM 0 HG3 LYS A 46 7.426 -4.406 6.913 1.00 0.88 H new ATOM 0 HD2 LYS A 46 6.420 -2.989 8.714 1.00 0.99 H new ATOM 0 HD3 LYS A 46 5.005 -4.023 8.724 1.00 0.99 H new ATOM 0 HE2 LYS A 46 6.467 -5.975 9.302 1.00 1.10 H new ATOM 0 HE3 LYS A 46 7.852 -4.903 9.351 1.00 1.10 H new ATOM 0 HZ1 LYS A 46 6.957 -5.279 11.556 1.00 1.27 H new ATOM 0 HZ2 LYS A 46 6.780 -3.644 11.130 1.00 1.27 H new ATOM 0 HZ3 LYS A 46 5.438 -4.684 11.083 1.00 1.27 H new ATOM 468 N LEU A 47 3.306 -2.332 4.200 1.00 0.58 N ATOM 469 CA LEU A 47 2.702 -1.236 3.451 1.00 0.50 C ATOM 470 C LEU A 47 1.249 -1.068 3.885 1.00 0.45 C ATOM 471 O LEU A 47 0.742 0.048 4.000 1.00 0.42 O ATOM 472 CB LEU A 47 2.790 -1.527 1.944 1.00 0.50 C ATOM 473 CG LEU A 47 1.738 -0.841 1.061 1.00 0.49 C ATOM 474 CD1 LEU A 47 2.375 -0.321 -0.216 1.00 0.51 C ATOM 475 CD2 LEU A 47 0.606 -1.805 0.727 1.00 0.63 C ATOM 0 H LEU A 47 3.511 -3.158 3.638 1.00 0.58 H new ATOM 0 HA LEU A 47 3.239 -0.309 3.654 1.00 0.50 H new ATOM 0 HB2 LEU A 47 3.778 -1.229 1.594 1.00 0.50 H new ATOM 0 HB3 LEU A 47 2.711 -2.604 1.797 1.00 0.50 H new ATOM 0 HG LEU A 47 1.324 0.002 1.615 1.00 0.49 H new ATOM 0 HD11 LEU A 47 1.616 0.162 -0.831 1.00 0.51 H new ATOM 0 HD12 LEU A 47 3.153 0.400 0.033 1.00 0.51 H new ATOM 0 HD13 LEU A 47 2.814 -1.152 -0.768 1.00 0.51 H new ATOM 0 HD21 LEU A 47 -0.129 -1.300 0.101 1.00 0.63 H new ATOM 0 HD22 LEU A 47 1.007 -2.666 0.193 1.00 0.63 H new ATOM 0 HD23 LEU A 47 0.129 -2.139 1.648 1.00 0.63 H new ATOM 487 N LYS A 48 0.596 -2.203 4.125 1.00 0.46 N ATOM 488 CA LYS A 48 -0.793 -2.232 4.555 1.00 0.44 C ATOM 489 C LYS A 48 -0.934 -1.678 5.972 1.00 0.48 C ATOM 490 O LYS A 48 -1.892 -0.970 6.278 1.00 0.48 O ATOM 491 CB LYS A 48 -1.316 -3.668 4.493 1.00 0.48 C ATOM 492 CG LYS A 48 -2.801 -3.776 4.194 1.00 0.50 C ATOM 493 CD LYS A 48 -3.224 -5.230 4.050 1.00 0.59 C ATOM 494 CE LYS A 48 -4.726 -5.363 3.867 1.00 0.65 C ATOM 495 NZ LYS A 48 -5.147 -6.789 3.795 1.00 0.77 N ATOM 0 H LYS A 48 1.018 -3.126 4.026 1.00 0.46 H new ATOM 0 HA LYS A 48 -1.382 -1.603 3.887 1.00 0.44 H new ATOM 0 HB2 LYS A 48 -0.762 -4.212 3.728 1.00 0.48 H new ATOM 0 HB3 LYS A 48 -1.111 -4.159 5.444 1.00 0.48 H new ATOM 0 HG2 LYS A 48 -3.372 -3.305 4.994 1.00 0.50 H new ATOM 0 HG3 LYS A 48 -3.031 -3.234 3.277 1.00 0.50 H new ATOM 0 HD2 LYS A 48 -2.713 -5.675 3.196 1.00 0.59 H new ATOM 0 HD3 LYS A 48 -2.914 -5.788 4.933 1.00 0.59 H new ATOM 0 HE2 LYS A 48 -5.238 -4.874 4.695 1.00 0.65 H new ATOM 0 HE3 LYS A 48 -5.029 -4.848 2.956 1.00 0.65 H new ATOM 0 HZ1 LYS A 48 -5.564 -6.981 2.862 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -4.320 -7.403 3.937 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -5.852 -6.981 4.535 1.00 0.77 H new ATOM 509 N GLU A 49 0.038 -2.002 6.829 1.00 0.55 N ATOM 510 CA GLU A 49 0.035 -1.541 8.217 1.00 0.61 C ATOM 511 C GLU A 49 0.291 -0.039 8.299 1.00 0.61 C ATOM 512 O GLU A 49 -0.330 0.660 9.098 1.00 0.63 O ATOM 513 CB GLU A 49 1.099 -2.285 9.030 1.00 0.71 C ATOM 514 CG GLU A 49 0.811 -3.765 9.215 1.00 0.76 C ATOM 515 CD GLU A 49 1.970 -4.507 9.853 1.00 0.85 C ATOM 516 OE1 GLU A 49 2.017 -4.579 11.099 1.00 0.95 O ATOM 517 OE2 GLU A 49 2.831 -5.019 9.105 1.00 0.89 O ATOM 0 H GLU A 49 0.839 -2.584 6.583 1.00 0.55 H new ATOM 0 HA GLU A 49 -0.951 -1.750 8.633 1.00 0.61 H new ATOM 0 HB2 GLU A 49 2.064 -2.172 8.536 1.00 0.71 H new ATOM 0 HB3 GLU A 49 1.186 -1.817 10.010 1.00 0.71 H new ATOM 0 HG2 GLU A 49 -0.078 -3.884 9.835 1.00 0.76 H new ATOM 0 HG3 GLU A 49 0.587 -4.212 8.247 1.00 0.76 H new ATOM 524 N SER A 50 1.208 0.447 7.463 1.00 0.60 N ATOM 525 CA SER A 50 1.562 1.864 7.437 1.00 0.62 C ATOM 526 C SER A 50 0.406 2.725 6.933 1.00 0.54 C ATOM 527 O SER A 50 0.187 3.828 7.430 1.00 0.56 O ATOM 528 CB SER A 50 2.797 2.084 6.561 1.00 0.67 C ATOM 529 OG SER A 50 3.937 1.453 7.116 1.00 1.22 O ATOM 0 H SER A 50 1.721 -0.124 6.792 1.00 0.60 H new ATOM 0 HA SER A 50 1.784 2.167 8.460 1.00 0.62 H new ATOM 0 HB2 SER A 50 2.612 1.692 5.561 1.00 0.67 H new ATOM 0 HB3 SER A 50 2.985 3.152 6.454 1.00 0.67 H new ATOM 0 HG SER A 50 3.919 0.497 6.901 1.00 1.22 H new ATOM 535 N TYR A 51 -0.323 2.222 5.942 1.00 0.47 N ATOM 536 CA TYR A 51 -1.456 2.951 5.378 1.00 0.41 C ATOM 537 C TYR A 51 -2.625 3.001 6.359 1.00 0.43 C ATOM 538 O TYR A 51 -3.320 4.008 6.450 1.00 0.44 O ATOM 539 CB TYR A 51 -1.902 2.311 4.061 1.00 0.38 C ATOM 540 CG TYR A 51 -2.859 3.167 3.259 1.00 0.38 C ATOM 541 CD1 TYR A 51 -2.495 4.439 2.830 1.00 0.42 C ATOM 542 CD2 TYR A 51 -4.124 2.701 2.925 1.00 0.45 C ATOM 543 CE1 TYR A 51 -3.366 5.220 2.096 1.00 0.46 C ATOM 544 CE2 TYR A 51 -4.999 3.479 2.190 1.00 0.50 C ATOM 545 CZ TYR A 51 -4.615 4.736 1.778 1.00 0.47 C ATOM 546 OH TYR A 51 -5.482 5.514 1.044 1.00 0.55 O ATOM 0 H TYR A 51 -0.150 1.313 5.512 1.00 0.47 H new ATOM 0 HA TYR A 51 -1.131 3.973 5.184 1.00 0.41 H new ATOM 0 HB2 TYR A 51 -1.022 2.100 3.454 1.00 0.38 H new ATOM 0 HB3 TYR A 51 -2.378 1.354 4.276 1.00 0.38 H new ATOM 0 HD1 TYR A 51 -1.515 4.822 3.075 1.00 0.42 H new ATOM 0 HD2 TYR A 51 -4.429 1.715 3.244 1.00 0.45 H new ATOM 0 HE1 TYR A 51 -3.068 6.207 1.773 1.00 0.46 H new ATOM 0 HE2 TYR A 51 -5.980 3.103 1.940 1.00 0.50 H new ATOM 0 HH TYR A 51 -6.321 5.026 0.904 1.00 0.55 H new ATOM 556 N CYS A 52 -2.827 1.911 7.095 1.00 0.45 N ATOM 557 CA CYS A 52 -3.919 1.824 8.063 1.00 0.49 C ATOM 558 C CYS A 52 -3.718 2.767 9.251 1.00 0.56 C ATOM 559 O CYS A 52 -4.674 3.379 9.724 1.00 0.60 O ATOM 560 CB CYS A 52 -4.072 0.386 8.558 1.00 0.53 C ATOM 561 SG CYS A 52 -4.799 -0.738 7.341 1.00 0.50 S ATOM 0 H CYS A 52 -2.248 1.073 7.040 1.00 0.45 H new ATOM 0 HA CYS A 52 -4.830 2.134 7.550 1.00 0.49 H new ATOM 0 HB2 CYS A 52 -3.092 0.006 8.848 1.00 0.53 H new ATOM 0 HB3 CYS A 52 -4.692 0.385 9.454 1.00 0.53 H new ATOM 0 HG CYS A 52 -3.863 -1.207 6.570 1.00 0.50 H new ATOM 567 N GLN A 53 -2.483 2.877 9.738 1.00 0.58 N ATOM 568 CA GLN A 53 -2.189 3.748 10.878 1.00 0.67 C ATOM 569 C GLN A 53 -2.111 5.220 10.467 1.00 0.67 C ATOM 570 O GLN A 53 -2.406 6.109 11.266 1.00 0.74 O ATOM 571 CB GLN A 53 -0.892 3.316 11.581 1.00 0.72 C ATOM 572 CG GLN A 53 0.346 3.333 10.694 1.00 0.73 C ATOM 573 CD GLN A 53 1.152 4.613 10.823 1.00 0.77 C ATOM 574 OE1 GLN A 53 1.174 5.247 11.879 1.00 0.81 O ATOM 575 NE2 GLN A 53 1.820 5.000 9.744 1.00 0.82 N ATOM 0 H GLN A 53 -1.675 2.379 9.366 1.00 0.58 H new ATOM 0 HA GLN A 53 -3.016 3.645 11.581 1.00 0.67 H new ATOM 0 HB2 GLN A 53 -0.721 3.972 12.434 1.00 0.72 H new ATOM 0 HB3 GLN A 53 -1.026 2.309 11.976 1.00 0.72 H new ATOM 0 HG2 GLN A 53 0.980 2.484 10.949 1.00 0.73 H new ATOM 0 HG3 GLN A 53 0.043 3.204 9.655 1.00 0.73 H new ATOM 0 HE21 GLN A 53 1.774 4.445 8.889 1.00 0.82 H new ATOM 0 HE22 GLN A 53 2.379 5.853 9.769 1.00 0.82 H new ATOM 584 N ARG A 54 -1.718 5.475 9.220 1.00 0.62 N ATOM 585 CA ARG A 54 -1.594 6.843 8.716 1.00 0.64 C ATOM 586 C ARG A 54 -2.920 7.343 8.131 1.00 0.64 C ATOM 587 O ARG A 54 -3.008 8.474 7.652 1.00 0.75 O ATOM 588 CB ARG A 54 -0.492 6.908 7.649 1.00 0.61 C ATOM 589 CG ARG A 54 -0.001 8.316 7.339 1.00 0.70 C ATOM 590 CD ARG A 54 0.882 8.864 8.450 1.00 0.87 C ATOM 591 NE ARG A 54 2.174 8.182 8.512 1.00 0.98 N ATOM 592 CZ ARG A 54 2.962 8.178 9.585 1.00 1.21 C ATOM 593 NH1 ARG A 54 2.594 8.816 10.689 1.00 1.36 N ATOM 594 NH2 ARG A 54 4.121 7.535 9.555 1.00 1.36 N ATOM 0 H ARG A 54 -1.480 4.753 8.540 1.00 0.62 H new ATOM 0 HA ARG A 54 -1.329 7.490 9.552 1.00 0.64 H new ATOM 0 HB2 ARG A 54 0.354 6.306 7.980 1.00 0.61 H new ATOM 0 HB3 ARG A 54 -0.865 6.456 6.730 1.00 0.61 H new ATOM 0 HG2 ARG A 54 0.556 8.309 6.402 1.00 0.70 H new ATOM 0 HG3 ARG A 54 -0.857 8.976 7.196 1.00 0.70 H new ATOM 0 HD2 ARG A 54 1.043 9.930 8.292 1.00 0.87 H new ATOM 0 HD3 ARG A 54 0.370 8.757 9.406 1.00 0.87 H new ATOM 0 HE ARG A 54 2.491 7.679 7.683 1.00 0.98 H new ATOM 0 HH11 ARG A 54 1.704 9.313 10.718 1.00 1.36 H new ATOM 0 HH12 ARG A 54 3.202 8.810 11.508 1.00 1.36 H new ATOM 0 HH21 ARG A 54 4.409 7.043 8.709 1.00 1.36 H new ATOM 0 HH22 ARG A 54 4.724 7.532 10.378 1.00 1.36 H new ATOM 608 N GLN A 55 -3.952 6.507 8.184 1.00 0.59 N ATOM 609 CA GLN A 55 -5.253 6.881 7.641 1.00 0.62 C ATOM 610 C GLN A 55 -6.386 6.628 8.636 1.00 0.68 C ATOM 611 O GLN A 55 -7.490 7.144 8.460 1.00 0.71 O ATOM 612 CB GLN A 55 -5.515 6.101 6.346 1.00 0.57 C ATOM 613 CG GLN A 55 -6.610 6.688 5.468 1.00 0.63 C ATOM 614 CD GLN A 55 -6.231 8.031 4.875 1.00 0.64 C ATOM 615 OE1 GLN A 55 -5.610 8.102 3.815 1.00 0.60 O ATOM 616 NE2 GLN A 55 -6.613 9.107 5.553 1.00 0.76 N ATOM 0 H GLN A 55 -3.914 5.574 8.594 1.00 0.59 H new ATOM 0 HA GLN A 55 -5.230 7.951 7.435 1.00 0.62 H new ATOM 0 HB2 GLN A 55 -4.590 6.055 5.771 1.00 0.57 H new ATOM 0 HB3 GLN A 55 -5.782 5.076 6.602 1.00 0.57 H new ATOM 0 HG2 GLN A 55 -6.836 5.990 4.661 1.00 0.63 H new ATOM 0 HG3 GLN A 55 -7.521 6.800 6.057 1.00 0.63 H new ATOM 0 HE21 GLN A 55 -7.126 9.003 6.428 1.00 0.76 H new ATOM 0 HE22 GLN A 55 -6.393 10.038 5.199 1.00 0.76 H new ATOM 625 N GLY A 56 -6.117 5.853 9.692 1.00 0.71 N ATOM 626 CA GLY A 56 -7.167 5.554 10.653 1.00 0.78 C ATOM 627 C GLY A 56 -8.282 4.687 10.099 1.00 0.77 C ATOM 628 O GLY A 56 -9.446 5.072 10.136 1.00 0.82 O ATOM 0 H GLY A 56 -5.209 5.436 9.894 1.00 0.71 H new ATOM 0 HA2 GLY A 56 -6.725 5.053 11.514 1.00 0.78 H new ATOM 0 HA3 GLY A 56 -7.593 6.490 11.013 1.00 0.78 H new ATOM 632 N VAL A 57 -7.929 3.506 9.604 1.00 0.73 N ATOM 633 CA VAL A 57 -8.905 2.590 9.022 1.00 0.74 C ATOM 634 C VAL A 57 -8.472 1.141 9.229 1.00 0.73 C ATOM 635 O VAL A 57 -7.388 0.755 8.809 1.00 0.68 O ATOM 636 CB VAL A 57 -9.041 2.838 7.509 1.00 0.68 C ATOM 637 CG1 VAL A 57 -9.961 1.810 6.891 1.00 0.71 C ATOM 638 CG2 VAL A 57 -9.561 4.240 7.255 1.00 0.71 C ATOM 0 H VAL A 57 -6.970 3.159 9.594 1.00 0.73 H new ATOM 0 HA VAL A 57 -9.859 2.767 9.518 1.00 0.74 H new ATOM 0 HB VAL A 57 -8.059 2.743 7.046 1.00 0.68 H new ATOM 0 HG11 VAL A 57 -10.049 1.997 5.821 1.00 0.71 H new ATOM 0 HG12 VAL A 57 -9.553 0.812 7.053 1.00 0.71 H new ATOM 0 HG13 VAL A 57 -10.946 1.879 7.353 1.00 0.71 H new ATOM 0 HG21 VAL A 57 -9.653 4.405 6.182 1.00 0.71 H new ATOM 0 HG22 VAL A 57 -10.537 4.357 7.725 1.00 0.71 H new ATOM 0 HG23 VAL A 57 -8.866 4.967 7.675 1.00 0.71 H new ATOM 648 N PRO A 58 -9.327 0.315 9.857 1.00 0.80 N ATOM 649 CA PRO A 58 -8.998 -1.095 10.104 1.00 0.82 C ATOM 650 C PRO A 58 -8.448 -1.857 8.896 1.00 0.76 C ATOM 651 O PRO A 58 -8.934 -1.710 7.777 1.00 0.73 O ATOM 652 CB PRO A 58 -10.319 -1.672 10.617 1.00 0.91 C ATOM 653 CG PRO A 58 -11.349 -0.775 10.014 1.00 0.90 C ATOM 654 CD PRO A 58 -10.730 0.581 10.199 1.00 0.87 C ATOM 0 HA PRO A 58 -8.173 -1.191 10.809 1.00 0.82 H new ATOM 0 HB2 PRO A 58 -10.454 -2.707 10.302 1.00 0.91 H new ATOM 0 HB3 PRO A 58 -10.366 -1.661 11.706 1.00 0.91 H new ATOM 0 HG2 PRO A 58 -11.524 -1.004 8.963 1.00 0.90 H new ATOM 0 HG3 PRO A 58 -12.310 -0.858 10.522 1.00 0.90 H new ATOM 0 HD2 PRO A 58 -11.177 1.328 9.543 1.00 0.87 H new ATOM 0 HD3 PRO A 58 -10.841 0.946 11.220 1.00 0.87 H new ATOM 662 N MET A 59 -7.426 -2.671 9.154 1.00 0.76 N ATOM 663 CA MET A 59 -6.752 -3.474 8.133 1.00 0.72 C ATOM 664 C MET A 59 -7.699 -4.086 7.096 1.00 0.73 C ATOM 665 O MET A 59 -7.345 -4.233 5.921 1.00 0.69 O ATOM 666 CB MET A 59 -5.962 -4.597 8.817 1.00 0.77 C ATOM 667 CG MET A 59 -4.972 -5.338 7.922 1.00 0.74 C ATOM 668 SD MET A 59 -3.519 -4.341 7.534 1.00 0.66 S ATOM 669 CE MET A 59 -3.004 -3.854 9.202 1.00 0.73 C ATOM 0 H MET A 59 -7.037 -2.794 10.089 1.00 0.76 H new ATOM 0 HA MET A 59 -6.095 -2.795 7.589 1.00 0.72 H new ATOM 0 HB2 MET A 59 -5.417 -4.173 9.661 1.00 0.77 H new ATOM 0 HB3 MET A 59 -6.669 -5.320 9.225 1.00 0.77 H new ATOM 0 HG2 MET A 59 -4.657 -6.258 8.416 1.00 0.74 H new ATOM 0 HG3 MET A 59 -5.469 -5.627 6.996 1.00 0.74 H new ATOM 0 HE1 MET A 59 -1.933 -3.650 9.207 1.00 0.73 H new ATOM 0 HE2 MET A 59 -3.546 -2.957 9.503 1.00 0.73 H new ATOM 0 HE3 MET A 59 -3.223 -4.661 9.901 1.00 0.73 H new ATOM 679 N ASN A 60 -8.901 -4.444 7.538 1.00 0.80 N ATOM 680 CA ASN A 60 -9.897 -5.060 6.669 1.00 0.84 C ATOM 681 C ASN A 60 -10.655 -4.046 5.827 1.00 0.82 C ATOM 682 O ASN A 60 -10.678 -4.137 4.602 1.00 0.80 O ATOM 683 CB ASN A 60 -10.900 -5.861 7.504 1.00 0.93 C ATOM 684 CG ASN A 60 -11.667 -4.993 8.490 1.00 0.96 C ATOM 685 OD1 ASN A 60 -11.090 -4.432 9.422 1.00 0.95 O ATOM 686 ND2 ASN A 60 -12.976 -4.875 8.282 1.00 1.01 N ATOM 0 H ASN A 60 -9.210 -4.316 8.502 1.00 0.80 H new ATOM 0 HA ASN A 60 -9.352 -5.715 5.989 1.00 0.84 H new ATOM 0 HB2 ASN A 60 -11.606 -6.358 6.838 1.00 0.93 H new ATOM 0 HB3 ASN A 60 -10.371 -6.643 8.049 1.00 0.93 H new ATOM 0 HD21 ASN A 60 -13.542 -4.302 8.908 1.00 1.01 H new ATOM 0 HD22 ASN A 60 -13.413 -5.358 7.497 1.00 1.01 H new ATOM 693 N SER A 61 -11.280 -3.089 6.504 1.00 0.84 N ATOM 694 CA SER A 61 -12.074 -2.044 5.873 1.00 0.84 C ATOM 695 C SER A 61 -11.768 -1.797 4.398 1.00 0.80 C ATOM 696 O SER A 61 -12.686 -1.622 3.602 1.00 0.85 O ATOM 697 CB SER A 61 -11.922 -0.738 6.662 1.00 0.83 C ATOM 698 OG SER A 61 -12.800 0.276 6.191 1.00 0.85 O ATOM 0 H SER A 61 -11.248 -3.017 7.521 1.00 0.84 H new ATOM 0 HA SER A 61 -13.103 -2.404 5.895 1.00 0.84 H new ATOM 0 HB2 SER A 61 -12.120 -0.927 7.717 1.00 0.83 H new ATOM 0 HB3 SER A 61 -10.892 -0.388 6.589 1.00 0.83 H new ATOM 0 HG SER A 61 -12.914 0.958 6.885 1.00 0.85 H new ATOM 704 N LEU A 62 -10.495 -1.791 4.022 1.00 0.73 N ATOM 705 CA LEU A 62 -10.136 -1.534 2.630 1.00 0.70 C ATOM 706 C LEU A 62 -9.836 -2.791 1.814 1.00 0.72 C ATOM 707 O LEU A 62 -10.232 -3.897 2.174 1.00 0.77 O ATOM 708 CB LEU A 62 -8.922 -0.609 2.571 1.00 0.62 C ATOM 709 CG LEU A 62 -8.892 0.571 3.542 1.00 0.61 C ATOM 710 CD1 LEU A 62 -7.630 1.371 3.289 1.00 0.53 C ATOM 711 CD2 LEU A 62 -10.129 1.438 3.369 1.00 0.67 C ATOM 0 H LEU A 62 -9.706 -1.958 4.647 1.00 0.73 H new ATOM 0 HA LEU A 62 -11.015 -1.071 2.181 1.00 0.70 H new ATOM 0 HB2 LEU A 62 -8.030 -1.211 2.744 1.00 0.62 H new ATOM 0 HB3 LEU A 62 -8.848 -0.214 1.558 1.00 0.62 H new ATOM 0 HG LEU A 62 -8.891 0.205 4.569 1.00 0.61 H new ATOM 0 HD11 LEU A 62 -7.593 2.218 3.974 1.00 0.53 H new ATOM 0 HD12 LEU A 62 -6.759 0.736 3.449 1.00 0.53 H new ATOM 0 HD13 LEU A 62 -7.630 1.735 2.262 1.00 0.53 H new ATOM 0 HD21 LEU A 62 -10.089 2.273 4.069 1.00 0.67 H new ATOM 0 HD22 LEU A 62 -10.165 1.821 2.349 1.00 0.67 H new ATOM 0 HD23 LEU A 62 -11.021 0.843 3.565 1.00 0.67 H new ATOM 723 N ARG A 63 -9.136 -2.586 0.700 1.00 0.69 N ATOM 724 CA ARG A 63 -8.726 -3.649 -0.216 1.00 0.72 C ATOM 725 C ARG A 63 -7.773 -3.002 -1.219 1.00 0.69 C ATOM 726 O ARG A 63 -8.070 -1.925 -1.741 1.00 0.70 O ATOM 727 CB ARG A 63 -9.932 -4.236 -0.955 1.00 0.82 C ATOM 728 CG ARG A 63 -9.555 -5.226 -2.047 1.00 0.86 C ATOM 729 CD ARG A 63 -10.732 -5.548 -2.964 1.00 0.95 C ATOM 730 NE ARG A 63 -11.694 -6.477 -2.370 1.00 1.01 N ATOM 731 CZ ARG A 63 -12.793 -6.906 -2.989 1.00 1.10 C ATOM 732 NH1 ARG A 63 -13.070 -6.483 -4.218 1.00 1.14 N ATOM 733 NH2 ARG A 63 -13.609 -7.763 -2.389 1.00 1.14 N ATOM 0 H ARG A 63 -8.832 -1.659 0.403 1.00 0.69 H new ATOM 0 HA ARG A 63 -8.253 -4.466 0.330 1.00 0.72 H new ATOM 0 HB2 ARG A 63 -10.582 -4.733 -0.235 1.00 0.82 H new ATOM 0 HB3 ARG A 63 -10.508 -3.423 -1.397 1.00 0.82 H new ATOM 0 HG2 ARG A 63 -8.736 -4.817 -2.639 1.00 0.86 H new ATOM 0 HG3 ARG A 63 -9.190 -6.146 -1.591 1.00 0.86 H new ATOM 0 HD2 ARG A 63 -11.245 -4.622 -3.223 1.00 0.95 H new ATOM 0 HD3 ARG A 63 -10.353 -5.974 -3.893 1.00 0.95 H new ATOM 0 HE ARG A 63 -11.512 -6.816 -1.425 1.00 1.01 H new ATOM 0 HH11 ARG A 63 -12.441 -5.830 -4.687 1.00 1.14 H new ATOM 0 HH12 ARG A 63 -13.911 -6.811 -4.693 1.00 1.14 H new ATOM 0 HH21 ARG A 63 -13.396 -8.097 -1.449 1.00 1.14 H new ATOM 0 HH22 ARG A 63 -14.449 -8.088 -2.868 1.00 1.14 H new ATOM 747 N PHE A 64 -6.640 -3.645 -1.485 1.00 0.66 N ATOM 748 CA PHE A 64 -5.652 -3.094 -2.411 1.00 0.64 C ATOM 749 C PHE A 64 -5.522 -3.943 -3.667 1.00 0.72 C ATOM 750 O PHE A 64 -5.578 -5.169 -3.600 1.00 0.75 O ATOM 751 CB PHE A 64 -4.291 -2.984 -1.715 1.00 0.56 C ATOM 752 CG PHE A 64 -4.341 -2.265 -0.397 1.00 0.50 C ATOM 753 CD1 PHE A 64 -5.023 -2.811 0.688 1.00 0.51 C ATOM 754 CD2 PHE A 64 -3.730 -1.028 -0.242 1.00 0.44 C ATOM 755 CE1 PHE A 64 -5.099 -2.138 1.906 1.00 0.48 C ATOM 756 CE2 PHE A 64 -3.800 -0.346 0.971 1.00 0.40 C ATOM 757 CZ PHE A 64 -4.487 -0.904 2.047 1.00 0.42 C ATOM 0 H PHE A 64 -6.383 -4.543 -1.076 1.00 0.66 H new ATOM 0 HA PHE A 64 -5.994 -2.104 -2.712 1.00 0.64 H new ATOM 0 HB2 PHE A 64 -3.892 -3.986 -1.557 1.00 0.56 H new ATOM 0 HB3 PHE A 64 -3.596 -2.465 -2.375 1.00 0.56 H new ATOM 0 HD1 PHE A 64 -5.502 -3.773 0.583 1.00 0.51 H new ATOM 0 HD2 PHE A 64 -3.194 -0.589 -1.071 1.00 0.44 H new ATOM 0 HE1 PHE A 64 -5.633 -2.577 2.736 1.00 0.48 H new ATOM 0 HE2 PHE A 64 -3.321 0.616 1.077 1.00 0.40 H new ATOM 0 HZ PHE A 64 -4.542 -0.376 2.988 1.00 0.42 H new ATOM 767 N LEU A 65 -5.337 -3.290 -4.810 1.00 0.75 N ATOM 768 CA LEU A 65 -5.223 -4.001 -6.080 1.00 0.83 C ATOM 769 C LEU A 65 -4.014 -3.589 -6.917 1.00 0.84 C ATOM 770 O LEU A 65 -3.439 -2.515 -6.726 1.00 0.80 O ATOM 771 CB LEU A 65 -6.484 -3.781 -6.917 1.00 0.92 C ATOM 772 CG LEU A 65 -7.845 -3.945 -6.242 1.00 0.93 C ATOM 773 CD1 LEU A 65 -8.933 -3.650 -7.262 1.00 1.03 C ATOM 774 CD2 LEU A 65 -7.997 -5.353 -5.681 1.00 0.94 C ATOM 0 H LEU A 65 -5.263 -2.275 -4.884 1.00 0.75 H new ATOM 0 HA LEU A 65 -5.094 -5.051 -5.817 1.00 0.83 H new ATOM 0 HB2 LEU A 65 -6.437 -2.773 -7.328 1.00 0.92 H new ATOM 0 HB3 LEU A 65 -6.447 -4.471 -7.760 1.00 0.92 H new ATOM 0 HG LEU A 65 -7.929 -3.248 -5.409 1.00 0.93 H new ATOM 0 HD11 LEU A 65 -9.911 -3.763 -6.794 1.00 1.03 H new ATOM 0 HD12 LEU A 65 -8.822 -2.629 -7.628 1.00 1.03 H new ATOM 0 HD13 LEU A 65 -8.848 -4.346 -8.097 1.00 1.03 H new ATOM 0 HD21 LEU A 65 -8.972 -5.451 -5.204 1.00 0.94 H new ATOM 0 HD22 LEU A 65 -7.914 -6.078 -6.491 1.00 0.94 H new ATOM 0 HD23 LEU A 65 -7.213 -5.538 -4.946 1.00 0.94 H new ATOM 786 N PHE A 66 -3.647 -4.461 -7.852 1.00 0.91 N ATOM 787 CA PHE A 66 -2.534 -4.223 -8.764 1.00 0.94 C ATOM 788 C PHE A 66 -2.819 -4.968 -10.068 1.00 1.04 C ATOM 789 O PHE A 66 -3.376 -6.068 -10.050 1.00 1.07 O ATOM 790 CB PHE A 66 -1.220 -4.711 -8.153 1.00 0.89 C ATOM 791 CG PHE A 66 -0.035 -4.505 -9.047 1.00 0.93 C ATOM 792 CD1 PHE A 66 0.274 -3.241 -9.530 1.00 0.94 C ATOM 793 CD2 PHE A 66 0.766 -5.579 -9.424 1.00 0.97 C ATOM 794 CE1 PHE A 66 1.360 -3.046 -10.384 1.00 0.99 C ATOM 795 CE2 PHE A 66 1.855 -5.397 -10.276 1.00 1.02 C ATOM 796 CZ PHE A 66 2.151 -4.126 -10.756 1.00 1.03 C ATOM 0 H PHE A 66 -4.115 -5.355 -7.998 1.00 0.91 H new ATOM 0 HA PHE A 66 -2.435 -3.154 -8.953 1.00 0.94 H new ATOM 0 HB2 PHE A 66 -1.050 -4.189 -7.211 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -1.309 -5.772 -7.919 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -0.334 -2.397 -9.241 1.00 0.94 H new ATOM 0 HD2 PHE A 66 0.541 -6.567 -9.051 1.00 0.97 H new ATOM 0 HE1 PHE A 66 1.585 -2.057 -10.755 1.00 0.99 H new ATOM 0 HE2 PHE A 66 2.466 -6.240 -10.562 1.00 1.02 H new ATOM 0 HZ PHE A 66 2.993 -3.979 -11.416 1.00 1.03 H new ATOM 806 N GLU A 67 -2.438 -4.371 -11.195 1.00 1.10 N ATOM 807 CA GLU A 67 -2.685 -4.980 -12.500 1.00 1.20 C ATOM 808 C GLU A 67 -4.143 -5.421 -12.562 1.00 1.24 C ATOM 809 O GLU A 67 -4.486 -6.393 -13.236 1.00 1.30 O ATOM 810 CB GLU A 67 -1.775 -6.192 -12.720 1.00 1.22 C ATOM 811 CG GLU A 67 -0.307 -5.868 -12.981 1.00 1.21 C ATOM 812 CD GLU A 67 0.536 -7.117 -13.230 1.00 1.25 C ATOM 813 OE1 GLU A 67 0.618 -7.978 -12.324 1.00 1.21 O ATOM 814 OE2 GLU A 67 1.118 -7.242 -14.332 1.00 1.32 O ATOM 0 H GLU A 67 -1.960 -3.471 -11.231 1.00 1.10 H new ATOM 0 HA GLU A 67 -2.472 -4.249 -13.280 1.00 1.20 H new ATOM 0 HB2 GLU A 67 -1.837 -6.836 -11.843 1.00 1.22 H new ATOM 0 HB3 GLU A 67 -2.159 -6.765 -13.564 1.00 1.22 H new ATOM 0 HG2 GLU A 67 -0.233 -5.206 -13.844 1.00 1.21 H new ATOM 0 HG3 GLU A 67 0.099 -5.325 -12.127 1.00 1.21 H new ATOM 821 N GLY A 68 -4.998 -4.700 -11.845 1.00 1.20 N ATOM 822 CA GLY A 68 -6.404 -5.042 -11.828 1.00 1.24 C ATOM 823 C GLY A 68 -6.717 -6.091 -10.781 1.00 1.20 C ATOM 824 O GLY A 68 -7.687 -5.953 -10.035 1.00 1.18 O ATOM 0 H GLY A 68 -4.743 -3.890 -11.279 1.00 1.20 H new ATOM 0 HA2 GLY A 68 -6.993 -4.146 -11.632 1.00 1.24 H new ATOM 0 HA3 GLY A 68 -6.700 -5.410 -12.810 1.00 1.24 H new ATOM 828 N GLN A 69 -5.897 -7.137 -10.711 1.00 1.20 N ATOM 829 CA GLN A 69 -6.127 -8.205 -9.744 1.00 1.17 C ATOM 830 C GLN A 69 -5.707 -7.867 -8.315 1.00 1.07 C ATOM 831 O GLN A 69 -4.763 -7.107 -8.087 1.00 1.01 O ATOM 832 CB GLN A 69 -5.443 -9.498 -10.202 1.00 1.22 C ATOM 833 CG GLN A 69 -6.091 -10.115 -11.437 1.00 1.32 C ATOM 834 CD GLN A 69 -5.687 -11.561 -11.666 1.00 1.37 C ATOM 835 OE1 GLN A 69 -4.507 -11.872 -11.817 1.00 1.36 O ATOM 836 NE2 GLN A 69 -6.674 -12.451 -11.692 1.00 1.43 N ATOM 0 H GLN A 69 -5.078 -7.267 -11.304 1.00 1.20 H new ATOM 0 HA GLN A 69 -7.208 -8.340 -9.712 1.00 1.17 H new ATOM 0 HB2 GLN A 69 -4.394 -9.291 -10.415 1.00 1.22 H new ATOM 0 HB3 GLN A 69 -5.466 -10.222 -9.387 1.00 1.22 H new ATOM 0 HG2 GLN A 69 -7.175 -10.059 -11.337 1.00 1.32 H new ATOM 0 HG3 GLN A 69 -5.821 -9.526 -12.314 1.00 1.32 H new ATOM 0 HE21 GLN A 69 -7.639 -12.147 -11.562 1.00 1.43 H new ATOM 0 HE22 GLN A 69 -6.467 -13.438 -11.842 1.00 1.43 H new ATOM 845 N ARG A 70 -6.429 -8.450 -7.363 1.00 1.06 N ATOM 846 CA ARG A 70 -6.198 -8.237 -5.940 1.00 0.98 C ATOM 847 C ARG A 70 -4.754 -8.473 -5.509 1.00 0.93 C ATOM 848 O ARG A 70 -3.948 -9.015 -6.265 1.00 0.97 O ATOM 849 CB ARG A 70 -7.135 -9.135 -5.136 1.00 1.01 C ATOM 850 CG ARG A 70 -7.200 -8.814 -3.666 1.00 0.94 C ATOM 851 CD ARG A 70 -8.462 -9.382 -3.063 1.00 0.99 C ATOM 852 NE ARG A 70 -8.713 -8.844 -1.730 1.00 0.94 N ATOM 853 CZ ARG A 70 -9.865 -8.965 -1.080 1.00 0.98 C ATOM 854 NH1 ARG A 70 -10.879 -9.609 -1.645 1.00 1.06 N ATOM 855 NH2 ARG A 70 -10.007 -8.437 0.130 1.00 0.94 N ATOM 0 H ARG A 70 -7.198 -9.090 -7.561 1.00 1.06 H new ATOM 0 HA ARG A 70 -6.404 -7.185 -5.742 1.00 0.98 H new ATOM 0 HB2 ARG A 70 -8.138 -9.060 -5.556 1.00 1.01 H new ATOM 0 HB3 ARG A 70 -6.816 -10.170 -5.255 1.00 1.01 H new ATOM 0 HG2 ARG A 70 -6.328 -9.226 -3.158 1.00 0.94 H new ATOM 0 HG3 ARG A 70 -7.173 -7.734 -3.521 1.00 0.94 H new ATOM 0 HD2 ARG A 70 -9.309 -9.157 -3.712 1.00 0.99 H new ATOM 0 HD3 ARG A 70 -8.382 -10.468 -3.008 1.00 0.99 H new ATOM 0 HE ARG A 70 -7.955 -8.343 -1.267 1.00 0.94 H new ATOM 0 HH11 ARG A 70 -10.773 -10.010 -2.577 1.00 1.06 H new ATOM 0 HH12 ARG A 70 -11.764 -9.703 -1.147 1.00 1.06 H new ATOM 0 HH21 ARG A 70 -9.230 -7.937 0.563 1.00 0.94 H new ATOM 0 HH22 ARG A 70 -10.893 -8.531 0.627 1.00 0.94 H new ATOM 869 N ILE A 71 -4.436 -8.055 -4.288 1.00 0.85 N ATOM 870 CA ILE A 71 -3.091 -8.211 -3.745 1.00 0.81 C ATOM 871 C ILE A 71 -3.055 -9.104 -2.508 1.00 0.81 C ATOM 872 O ILE A 71 -3.769 -8.867 -1.529 1.00 0.79 O ATOM 873 CB ILE A 71 -2.467 -6.843 -3.382 1.00 0.73 C ATOM 874 CG1 ILE A 71 -2.134 -6.076 -4.661 1.00 0.75 C ATOM 875 CG2 ILE A 71 -1.222 -7.044 -2.534 1.00 0.69 C ATOM 876 CD1 ILE A 71 -1.506 -4.716 -4.420 1.00 0.68 C ATOM 0 H ILE A 71 -5.095 -7.604 -3.653 1.00 0.85 H new ATOM 0 HA ILE A 71 -2.510 -8.688 -4.535 1.00 0.81 H new ATOM 0 HB ILE A 71 -3.183 -6.261 -2.802 1.00 0.73 H new ATOM 0 HG12 ILE A 71 -1.454 -6.676 -5.266 1.00 0.75 H new ATOM 0 HG13 ILE A 71 -3.047 -5.945 -5.242 1.00 0.75 H new ATOM 0 HG21 ILE A 71 -0.791 -6.074 -2.285 1.00 0.69 H new ATOM 0 HG22 ILE A 71 -1.487 -7.570 -1.617 1.00 0.69 H new ATOM 0 HG23 ILE A 71 -0.493 -7.632 -3.092 1.00 0.69 H new ATOM 0 HD11 ILE A 71 -1.300 -4.236 -5.377 1.00 0.68 H new ATOM 0 HD12 ILE A 71 -2.192 -4.096 -3.843 1.00 0.68 H new ATOM 0 HD13 ILE A 71 -0.575 -4.838 -3.867 1.00 0.68 H new ATOM 888 N ALA A 72 -2.207 -10.129 -2.573 1.00 0.85 N ATOM 889 CA ALA A 72 -2.039 -11.081 -1.481 1.00 0.88 C ATOM 890 C ALA A 72 -1.437 -10.376 -0.282 1.00 0.82 C ATOM 891 O ALA A 72 -0.711 -9.393 -0.427 1.00 0.77 O ATOM 892 CB ALA A 72 -1.138 -12.239 -1.917 1.00 0.95 C ATOM 0 H ALA A 72 -1.619 -10.321 -3.384 1.00 0.85 H new ATOM 0 HA ALA A 72 -3.014 -11.486 -1.209 1.00 0.88 H new ATOM 0 HB1 ALA A 72 -1.022 -12.941 -1.091 1.00 0.95 H new ATOM 0 HB2 ALA A 72 -1.589 -12.750 -2.767 1.00 0.95 H new ATOM 0 HB3 ALA A 72 -0.160 -11.851 -2.203 1.00 0.95 H new ATOM 898 N ASP A 73 -1.737 -10.889 0.903 1.00 0.85 N ATOM 899 CA ASP A 73 -1.233 -10.311 2.135 1.00 0.81 C ATOM 900 C ASP A 73 0.257 -10.612 2.329 1.00 0.84 C ATOM 901 O ASP A 73 0.955 -9.901 3.054 1.00 0.81 O ATOM 902 CB ASP A 73 -2.040 -10.854 3.310 1.00 0.86 C ATOM 903 CG ASP A 73 -2.004 -9.941 4.505 1.00 0.83 C ATOM 904 OD1 ASP A 73 -2.406 -8.766 4.362 1.00 0.76 O ATOM 905 OD2 ASP A 73 -1.580 -10.399 5.587 1.00 0.88 O ATOM 0 H ASP A 73 -2.330 -11.708 1.034 1.00 0.85 H new ATOM 0 HA ASP A 73 -1.342 -9.228 2.080 1.00 0.81 H new ATOM 0 HB2 ASP A 73 -3.075 -11.000 2.999 1.00 0.86 H new ATOM 0 HB3 ASP A 73 -1.651 -11.832 3.592 1.00 0.86 H new ATOM 910 N ASN A 74 0.733 -11.664 1.670 1.00 0.90 N ATOM 911 CA ASN A 74 2.135 -12.074 1.753 1.00 0.94 C ATOM 912 C ASN A 74 2.888 -11.676 0.495 1.00 0.92 C ATOM 913 O ASN A 74 4.088 -11.916 0.376 1.00 0.95 O ATOM 914 CB ASN A 74 2.233 -13.585 1.950 1.00 1.03 C ATOM 915 CG ASN A 74 1.772 -14.024 3.324 1.00 1.07 C ATOM 916 OD1 ASN A 74 1.588 -15.215 3.578 1.00 1.14 O ATOM 917 ND2 ASN A 74 1.591 -13.061 4.221 1.00 1.02 N ATOM 0 H ASN A 74 0.163 -12.255 1.066 1.00 0.90 H new ATOM 0 HA ASN A 74 2.585 -11.568 2.607 1.00 0.94 H new ATOM 0 HB2 ASN A 74 1.632 -14.086 1.192 1.00 1.03 H new ATOM 0 HB3 ASN A 74 3.265 -13.901 1.799 1.00 1.03 H new ATOM 0 HD21 ASN A 74 1.287 -13.295 5.166 1.00 1.02 H new ATOM 0 HD22 ASN A 74 1.756 -12.088 3.965 1.00 1.02 H new ATOM 924 N HIS A 75 2.168 -11.068 -0.442 1.00 0.88 N ATOM 925 CA HIS A 75 2.740 -10.620 -1.707 1.00 0.87 C ATOM 926 C HIS A 75 3.968 -9.729 -1.494 1.00 0.84 C ATOM 927 O HIS A 75 4.252 -9.303 -0.375 1.00 0.82 O ATOM 928 CB HIS A 75 1.686 -9.843 -2.506 1.00 0.83 C ATOM 929 CG HIS A 75 1.437 -10.394 -3.875 1.00 0.89 C ATOM 930 ND1 HIS A 75 2.445 -10.582 -4.797 1.00 0.94 N ATOM 931 CD2 HIS A 75 0.295 -10.800 -4.478 1.00 0.93 C ATOM 932 CE1 HIS A 75 1.933 -11.085 -5.907 1.00 1.00 C ATOM 933 NE2 HIS A 75 0.630 -11.226 -5.739 1.00 0.99 N ATOM 0 H HIS A 75 1.172 -10.872 -0.346 1.00 0.88 H new ATOM 0 HA HIS A 75 3.055 -11.506 -2.258 1.00 0.87 H new ATOM 0 HB2 HIS A 75 0.749 -9.843 -1.949 1.00 0.83 H new ATOM 0 HB3 HIS A 75 2.004 -8.804 -2.595 1.00 0.83 H new ATOM 0 HD2 HIS A 75 -0.695 -10.790 -4.047 1.00 0.93 H new ATOM 0 HE1 HIS A 75 2.486 -11.338 -6.800 1.00 1.00 H new ATOM 0 HE2 HIS A 75 -0.021 -11.592 -6.434 1.00 0.99 H new ATOM 941 N THR A 76 4.681 -9.455 -2.584 1.00 0.86 N ATOM 942 CA THR A 76 5.875 -8.615 -2.573 1.00 0.86 C ATOM 943 C THR A 76 6.330 -8.550 -4.017 1.00 0.90 C ATOM 944 O THR A 76 6.170 -9.522 -4.746 1.00 0.95 O ATOM 945 CB THR A 76 7.014 -9.231 -1.726 1.00 0.91 C ATOM 946 OG1 THR A 76 6.627 -9.266 -0.347 1.00 0.89 O ATOM 947 CG2 THR A 76 8.291 -8.411 -1.859 1.00 0.92 C ATOM 0 H THR A 76 4.443 -9.814 -3.509 1.00 0.86 H new ATOM 0 HA THR A 76 5.646 -7.641 -2.141 1.00 0.86 H new ATOM 0 HB THR A 76 7.200 -10.242 -2.089 1.00 0.91 H new ATOM 0 HG1 THR A 76 5.727 -8.890 -0.250 1.00 0.89 H new ATOM 0 HG21 THR A 76 9.078 -8.863 -1.255 1.00 0.92 H new ATOM 0 HG22 THR A 76 8.602 -8.389 -2.903 1.00 0.92 H new ATOM 0 HG23 THR A 76 8.108 -7.393 -1.514 1.00 0.92 H new ATOM 955 N PRO A 77 6.895 -7.406 -4.454 1.00 0.88 N ATOM 956 CA PRO A 77 7.367 -7.263 -5.836 1.00 0.94 C ATOM 957 C PRO A 77 8.177 -8.483 -6.263 1.00 1.02 C ATOM 958 O PRO A 77 8.471 -8.676 -7.445 1.00 1.08 O ATOM 959 CB PRO A 77 8.205 -5.993 -5.778 1.00 0.93 C ATOM 960 CG PRO A 77 7.443 -5.166 -4.807 1.00 0.84 C ATOM 961 CD PRO A 77 7.110 -6.156 -3.703 1.00 0.83 C ATOM 0 HA PRO A 77 6.567 -7.196 -6.573 1.00 0.94 H new ATOM 0 HB2 PRO A 77 9.222 -6.190 -5.437 1.00 0.93 H new ATOM 0 HB3 PRO A 77 8.283 -5.511 -6.752 1.00 0.93 H new ATOM 0 HG2 PRO A 77 8.036 -4.331 -4.435 1.00 0.84 H new ATOM 0 HG3 PRO A 77 6.544 -4.743 -5.255 1.00 0.84 H new ATOM 0 HD2 PRO A 77 7.922 -6.250 -2.982 1.00 0.83 H new ATOM 0 HD3 PRO A 77 6.222 -5.859 -3.145 1.00 0.83 H new ATOM 969 N LYS A 78 8.533 -9.296 -5.273 1.00 1.03 N ATOM 970 CA LYS A 78 9.277 -10.527 -5.488 1.00 1.11 C ATOM 971 C LYS A 78 8.399 -11.418 -6.359 1.00 1.14 C ATOM 972 O LYS A 78 8.883 -12.320 -7.044 1.00 1.21 O ATOM 973 CB LYS A 78 9.543 -11.204 -4.137 1.00 1.12 C ATOM 974 CG LYS A 78 10.252 -12.549 -4.213 1.00 1.20 C ATOM 975 CD LYS A 78 10.366 -13.181 -2.830 1.00 1.22 C ATOM 976 CE LYS A 78 10.970 -14.575 -2.896 1.00 1.31 C ATOM 977 NZ LYS A 78 10.996 -15.235 -1.558 1.00 1.33 N ATOM 0 H LYS A 78 8.311 -9.116 -4.294 1.00 1.03 H new ATOM 0 HA LYS A 78 10.237 -10.339 -5.968 1.00 1.11 H new ATOM 0 HB2 LYS A 78 10.141 -10.531 -3.523 1.00 1.12 H new ATOM 0 HB3 LYS A 78 8.591 -11.342 -3.624 1.00 1.12 H new ATOM 0 HG2 LYS A 78 9.705 -13.216 -4.879 1.00 1.20 H new ATOM 0 HG3 LYS A 78 11.246 -12.417 -4.641 1.00 1.20 H new ATOM 0 HD2 LYS A 78 10.981 -12.548 -2.190 1.00 1.22 H new ATOM 0 HD3 LYS A 78 9.378 -13.234 -2.372 1.00 1.22 H new ATOM 0 HE2 LYS A 78 10.395 -15.187 -3.591 1.00 1.31 H new ATOM 0 HE3 LYS A 78 11.985 -14.513 -3.290 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 11.415 -16.183 -1.646 1.00 1.33 H new ATOM 0 HZ2 LYS A 78 11.565 -14.665 -0.901 1.00 1.33 H new ATOM 0 HZ3 LYS A 78 10.026 -15.318 -1.193 1.00 1.33 H new ATOM 991 N GLU A 79 7.099 -11.141 -6.331 1.00 1.09 N ATOM 992 CA GLU A 79 6.120 -11.898 -7.095 1.00 1.13 C ATOM 993 C GLU A 79 5.435 -11.041 -8.157 1.00 1.12 C ATOM 994 O GLU A 79 5.076 -11.538 -9.223 1.00 1.18 O ATOM 995 CB GLU A 79 5.057 -12.465 -6.152 1.00 1.10 C ATOM 996 CG GLU A 79 5.617 -13.211 -4.957 1.00 1.12 C ATOM 997 CD GLU A 79 6.451 -14.407 -5.360 1.00 1.20 C ATOM 998 OE1 GLU A 79 5.930 -15.277 -6.090 1.00 1.25 O ATOM 999 OE2 GLU A 79 7.627 -14.480 -4.945 1.00 1.23 O ATOM 0 H GLU A 79 6.697 -10.385 -5.777 1.00 1.09 H new ATOM 0 HA GLU A 79 6.653 -12.704 -7.600 1.00 1.13 H new ATOM 0 HB2 GLU A 79 4.432 -11.647 -5.794 1.00 1.10 H new ATOM 0 HB3 GLU A 79 4.410 -13.138 -6.715 1.00 1.10 H new ATOM 0 HG2 GLU A 79 6.226 -12.531 -4.361 1.00 1.12 H new ATOM 0 HG3 GLU A 79 4.795 -13.542 -4.322 1.00 1.12 H new ATOM 1006 N LEU A 80 5.257 -9.753 -7.862 1.00 1.06 N ATOM 1007 CA LEU A 80 4.592 -8.827 -8.778 1.00 1.05 C ATOM 1008 C LEU A 80 5.516 -8.134 -9.766 1.00 1.10 C ATOM 1009 O LEU A 80 5.050 -7.505 -10.717 1.00 1.12 O ATOM 1010 CB LEU A 80 3.829 -7.766 -7.988 1.00 0.97 C ATOM 1011 CG LEU A 80 2.603 -8.276 -7.238 1.00 0.94 C ATOM 1012 CD1 LEU A 80 1.989 -7.165 -6.403 1.00 0.85 C ATOM 1013 CD2 LEU A 80 1.605 -8.807 -8.247 1.00 1.00 C ATOM 0 H LEU A 80 5.567 -9.325 -6.989 1.00 1.06 H new ATOM 0 HA LEU A 80 3.918 -9.447 -9.369 1.00 1.05 H new ATOM 0 HB2 LEU A 80 4.511 -7.309 -7.271 1.00 0.97 H new ATOM 0 HB3 LEU A 80 3.515 -6.980 -8.675 1.00 0.97 H new ATOM 0 HG LEU A 80 2.893 -9.077 -6.557 1.00 0.94 H new ATOM 0 HD11 LEU A 80 1.115 -7.547 -5.875 1.00 0.85 H new ATOM 0 HD12 LEU A 80 2.722 -6.806 -5.680 1.00 0.85 H new ATOM 0 HD13 LEU A 80 1.689 -6.344 -7.054 1.00 0.85 H new ATOM 0 HD21 LEU A 80 0.722 -9.176 -7.726 1.00 1.00 H new ATOM 0 HD22 LEU A 80 1.316 -8.007 -8.929 1.00 1.00 H new ATOM 0 HD23 LEU A 80 2.058 -9.621 -8.813 1.00 1.00 H new ATOM 1025 N GLY A 81 6.819 -8.244 -9.537 1.00 1.11 N ATOM 1026 CA GLY A 81 7.774 -7.612 -10.429 1.00 1.16 C ATOM 1027 C GLY A 81 7.444 -6.148 -10.653 1.00 1.13 C ATOM 1028 O GLY A 81 7.728 -5.584 -11.707 1.00 1.18 O ATOM 0 H GLY A 81 7.230 -8.755 -8.756 1.00 1.11 H new ATOM 0 HA2 GLY A 81 8.777 -7.700 -10.011 1.00 1.16 H new ATOM 0 HA3 GLY A 81 7.781 -8.135 -11.385 1.00 1.16 H new ATOM 1032 N MET A 82 6.833 -5.533 -9.649 1.00 1.05 N ATOM 1033 CA MET A 82 6.466 -4.133 -9.743 1.00 1.02 C ATOM 1034 C MET A 82 7.712 -3.270 -9.889 1.00 1.05 C ATOM 1035 O MET A 82 8.566 -3.253 -9.002 1.00 1.02 O ATOM 1036 CB MET A 82 5.697 -3.704 -8.490 1.00 0.93 C ATOM 1037 CG MET A 82 4.449 -4.525 -8.210 1.00 0.90 C ATOM 1038 SD MET A 82 3.444 -3.850 -6.864 1.00 0.80 S ATOM 1039 CE MET A 82 4.132 -4.702 -5.449 1.00 0.76 C ATOM 0 H MET A 82 6.584 -5.981 -8.767 1.00 1.05 H new ATOM 0 HA MET A 82 5.832 -4.001 -10.620 1.00 1.02 H new ATOM 0 HB2 MET A 82 6.362 -3.771 -7.629 1.00 0.93 H new ATOM 0 HB3 MET A 82 5.413 -2.657 -8.593 1.00 0.93 H new ATOM 0 HG2 MET A 82 3.845 -4.578 -9.116 1.00 0.90 H new ATOM 0 HG3 MET A 82 4.741 -5.545 -7.962 1.00 0.90 H new ATOM 0 HE1 MET A 82 3.326 -5.020 -4.788 1.00 0.76 H new ATOM 0 HE2 MET A 82 4.691 -5.575 -5.786 1.00 0.76 H new ATOM 0 HE3 MET A 82 4.800 -4.030 -4.909 1.00 0.76 H new ATOM 1049 N GLU A 83 7.823 -2.563 -11.011 1.00 1.11 N ATOM 1050 CA GLU A 83 8.965 -1.682 -11.244 1.00 1.14 C ATOM 1051 C GLU A 83 8.790 -0.455 -10.353 1.00 1.08 C ATOM 1052 O GLU A 83 8.164 -0.533 -9.296 1.00 1.01 O ATOM 1053 CB GLU A 83 9.020 -1.266 -12.711 1.00 1.23 C ATOM 1054 CG GLU A 83 10.237 -1.834 -13.506 1.00 1.31 C ATOM 1055 CD GLU A 83 10.243 -1.460 -14.994 1.00 1.40 C ATOM 1056 OE1 GLU A 83 9.681 -2.232 -15.811 1.00 1.44 O ATOM 1057 OE2 GLU A 83 10.835 -0.412 -15.350 1.00 1.43 O ATOM 0 H GLU A 83 7.141 -2.582 -11.769 1.00 1.11 H new ATOM 0 HA GLU A 83 9.897 -2.195 -11.007 1.00 1.14 H new ATOM 0 HB2 GLU A 83 8.101 -1.589 -13.201 1.00 1.23 H new ATOM 0 HB3 GLU A 83 9.044 -0.178 -12.765 1.00 1.23 H new ATOM 0 HG2 GLU A 83 11.157 -1.472 -13.048 1.00 1.31 H new ATOM 0 HG3 GLU A 83 10.241 -2.920 -13.415 1.00 1.31 H new ATOM 1064 N GLU A 84 9.348 0.677 -10.767 1.00 1.12 N ATOM 1065 CA GLU A 84 9.201 1.896 -9.982 1.00 1.08 C ATOM 1066 C GLU A 84 8.031 2.652 -10.591 1.00 1.09 C ATOM 1067 O GLU A 84 7.563 2.304 -11.677 1.00 1.14 O ATOM 1068 CB GLU A 84 10.461 2.766 -10.061 1.00 1.14 C ATOM 1069 CG GLU A 84 11.782 2.038 -9.828 1.00 1.17 C ATOM 1070 CD GLU A 84 12.348 1.421 -11.101 1.00 1.25 C ATOM 1071 OE1 GLU A 84 12.602 2.174 -12.066 1.00 1.31 O ATOM 1072 OE2 GLU A 84 12.542 0.186 -11.133 1.00 1.25 O ATOM 0 H GLU A 84 9.895 0.776 -11.622 1.00 1.12 H new ATOM 0 HA GLU A 84 9.039 1.654 -8.932 1.00 1.08 H new ATOM 0 HB2 GLU A 84 10.495 3.236 -11.044 1.00 1.14 H new ATOM 0 HB3 GLU A 84 10.374 3.567 -9.327 1.00 1.14 H new ATOM 0 HG2 GLU A 84 12.509 2.737 -9.414 1.00 1.17 H new ATOM 0 HG3 GLU A 84 11.634 1.255 -9.085 1.00 1.17 H new ATOM 1079 N GLU A 85 7.552 3.676 -9.893 1.00 1.05 N ATOM 1080 CA GLU A 85 6.441 4.493 -10.383 1.00 1.07 C ATOM 1081 C GLU A 85 5.116 3.732 -10.450 1.00 1.04 C ATOM 1082 O GLU A 85 4.091 4.295 -10.832 1.00 1.06 O ATOM 1083 CB GLU A 85 6.784 5.051 -11.771 1.00 1.17 C ATOM 1084 CG GLU A 85 5.769 6.036 -12.330 1.00 1.21 C ATOM 1085 CD GLU A 85 5.696 7.311 -11.519 1.00 1.19 C ATOM 1086 OE1 GLU A 85 6.712 8.035 -11.462 1.00 1.22 O ATOM 1087 OE2 GLU A 85 4.625 7.586 -10.938 1.00 1.14 O ATOM 0 H GLU A 85 7.915 3.963 -8.984 1.00 1.05 H new ATOM 0 HA GLU A 85 6.305 5.302 -9.666 1.00 1.07 H new ATOM 0 HB2 GLU A 85 7.756 5.542 -11.720 1.00 1.17 H new ATOM 0 HB3 GLU A 85 6.883 4.219 -12.468 1.00 1.17 H new ATOM 0 HG2 GLU A 85 6.031 6.278 -13.360 1.00 1.21 H new ATOM 0 HG3 GLU A 85 4.786 5.566 -12.353 1.00 1.21 H new ATOM 1094 N ASP A 86 5.137 2.455 -10.081 1.00 1.00 N ATOM 1095 CA ASP A 86 3.927 1.642 -10.105 1.00 0.97 C ATOM 1096 C ASP A 86 2.768 2.332 -9.409 1.00 0.92 C ATOM 1097 O ASP A 86 2.929 3.397 -8.811 1.00 0.90 O ATOM 1098 CB ASP A 86 4.172 0.290 -9.436 1.00 0.93 C ATOM 1099 CG ASP A 86 4.438 -0.809 -10.434 1.00 1.00 C ATOM 1100 OD1 ASP A 86 3.567 -1.043 -11.298 1.00 1.05 O ATOM 1101 OD2 ASP A 86 5.512 -1.439 -10.359 1.00 1.01 O ATOM 0 H ASP A 86 5.973 1.964 -9.764 1.00 1.00 H new ATOM 0 HA ASP A 86 3.667 1.496 -11.153 1.00 0.97 H new ATOM 0 HB2 ASP A 86 5.021 0.373 -8.757 1.00 0.93 H new ATOM 0 HB3 ASP A 86 3.305 0.025 -8.831 1.00 0.93 H new ATOM 1106 N VAL A 87 1.596 1.710 -9.488 1.00 0.92 N ATOM 1107 CA VAL A 87 0.403 2.258 -8.866 1.00 0.88 C ATOM 1108 C VAL A 87 -0.412 1.161 -8.202 1.00 0.83 C ATOM 1109 O VAL A 87 -0.431 0.023 -8.665 1.00 0.86 O ATOM 1110 CB VAL A 87 -0.494 2.969 -9.905 1.00 0.97 C ATOM 1111 CG1 VAL A 87 -1.808 3.387 -9.266 1.00 0.94 C ATOM 1112 CG2 VAL A 87 0.228 4.181 -10.469 1.00 1.02 C ATOM 0 H VAL A 87 1.450 0.827 -9.977 1.00 0.92 H new ATOM 0 HA VAL A 87 0.736 2.978 -8.119 1.00 0.88 H new ATOM 0 HB VAL A 87 -0.709 2.277 -10.719 1.00 0.97 H new ATOM 0 HG11 VAL A 87 -2.431 3.887 -10.008 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -2.327 2.505 -8.891 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -1.610 4.070 -8.440 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -0.410 4.677 -11.200 1.00 1.02 H new ATOM 0 HG22 VAL A 87 0.461 4.875 -9.661 1.00 1.02 H new ATOM 0 HG23 VAL A 87 1.152 3.862 -10.951 1.00 1.02 H new ATOM 1122 N ILE A 88 -1.064 1.510 -7.099 1.00 0.76 N ATOM 1123 CA ILE A 88 -1.917 0.576 -6.385 1.00 0.72 C ATOM 1124 C ILE A 88 -3.236 1.282 -6.128 1.00 0.73 C ATOM 1125 O ILE A 88 -3.262 2.463 -5.778 1.00 0.72 O ATOM 1126 CB ILE A 88 -1.325 0.135 -5.024 1.00 0.62 C ATOM 1127 CG1 ILE A 88 -0.064 -0.701 -5.236 1.00 0.63 C ATOM 1128 CG2 ILE A 88 -2.345 -0.707 -4.268 1.00 0.60 C ATOM 1129 CD1 ILE A 88 0.506 -1.292 -3.952 1.00 0.56 C ATOM 0 H ILE A 88 -1.016 2.439 -6.680 1.00 0.76 H new ATOM 0 HA ILE A 88 -2.027 -0.322 -6.992 1.00 0.72 H new ATOM 0 HB ILE A 88 -1.077 1.029 -4.452 1.00 0.62 H new ATOM 0 HG12 ILE A 88 -0.289 -1.511 -5.929 1.00 0.63 H new ATOM 0 HG13 ILE A 88 0.697 -0.080 -5.708 1.00 0.63 H new ATOM 0 HG21 ILE A 88 -1.924 -1.015 -3.311 1.00 0.60 H new ATOM 0 HG22 ILE A 88 -3.246 -0.119 -4.096 1.00 0.60 H new ATOM 0 HG23 ILE A 88 -2.595 -1.590 -4.856 1.00 0.60 H new ATOM 0 HD11 ILE A 88 1.399 -1.872 -4.184 1.00 0.56 H new ATOM 0 HD12 ILE A 88 0.764 -0.487 -3.264 1.00 0.56 H new ATOM 0 HD13 ILE A 88 -0.237 -1.941 -3.489 1.00 0.56 H new ATOM 1141 N GLU A 89 -4.330 0.553 -6.321 1.00 0.77 N ATOM 1142 CA GLU A 89 -5.661 1.095 -6.103 1.00 0.80 C ATOM 1143 C GLU A 89 -6.214 0.526 -4.807 1.00 0.74 C ATOM 1144 O GLU A 89 -5.986 -0.641 -4.492 1.00 0.72 O ATOM 1145 CB GLU A 89 -6.593 0.711 -7.255 1.00 0.90 C ATOM 1146 CG GLU A 89 -7.127 1.887 -8.061 1.00 0.98 C ATOM 1147 CD GLU A 89 -6.128 2.403 -9.080 1.00 1.02 C ATOM 1148 OE1 GLU A 89 -5.770 1.628 -9.998 1.00 1.06 O ATOM 1149 OE2 GLU A 89 -5.701 3.575 -8.967 1.00 1.01 O ATOM 0 H GLU A 89 -4.318 -0.419 -6.629 1.00 0.77 H new ATOM 0 HA GLU A 89 -5.599 2.182 -6.049 1.00 0.80 H new ATOM 0 HB2 GLU A 89 -6.059 0.040 -7.928 1.00 0.90 H new ATOM 0 HB3 GLU A 89 -7.437 0.152 -6.851 1.00 0.90 H new ATOM 0 HG2 GLU A 89 -8.040 1.585 -8.574 1.00 0.98 H new ATOM 0 HG3 GLU A 89 -7.396 2.695 -7.381 1.00 0.98 H new ATOM 1156 N VAL A 90 -6.926 1.352 -4.053 1.00 0.73 N ATOM 1157 CA VAL A 90 -7.527 0.899 -2.808 1.00 0.69 C ATOM 1158 C VAL A 90 -9.020 1.139 -2.947 1.00 0.77 C ATOM 1159 O VAL A 90 -9.444 2.203 -3.399 1.00 0.82 O ATOM 1160 CB VAL A 90 -7.020 1.691 -1.578 1.00 0.61 C ATOM 1161 CG1 VAL A 90 -7.500 1.024 -0.293 1.00 0.59 C ATOM 1162 CG2 VAL A 90 -5.512 1.771 -1.593 1.00 0.54 C ATOM 0 H VAL A 90 -7.100 2.331 -4.280 1.00 0.73 H new ATOM 0 HA VAL A 90 -7.268 -0.147 -2.645 1.00 0.69 H new ATOM 0 HB VAL A 90 -7.423 2.703 -1.621 1.00 0.61 H new ATOM 0 HG11 VAL A 90 -7.138 1.588 0.567 1.00 0.59 H new ATOM 0 HG12 VAL A 90 -8.590 1.001 -0.280 1.00 0.59 H new ATOM 0 HG13 VAL A 90 -7.115 0.005 -0.246 1.00 0.59 H new ATOM 0 HG21 VAL A 90 -5.169 2.330 -0.723 1.00 0.54 H new ATOM 0 HG22 VAL A 90 -5.094 0.765 -1.566 1.00 0.54 H new ATOM 0 HG23 VAL A 90 -5.183 2.276 -2.502 1.00 0.54 H new ATOM 1172 N TYR A 91 -9.815 0.145 -2.576 1.00 0.80 N ATOM 1173 CA TYR A 91 -11.253 0.288 -2.662 1.00 0.88 C ATOM 1174 C TYR A 91 -11.876 -0.016 -1.317 1.00 0.87 C ATOM 1175 O TYR A 91 -11.470 -0.955 -0.639 1.00 0.83 O ATOM 1176 CB TYR A 91 -11.832 -0.659 -3.710 1.00 0.96 C ATOM 1177 CG TYR A 91 -11.383 -0.370 -5.123 1.00 1.00 C ATOM 1178 CD1 TYR A 91 -10.110 -0.732 -5.561 1.00 0.96 C ATOM 1179 CD2 TYR A 91 -12.237 0.266 -6.026 1.00 1.08 C ATOM 1180 CE1 TYR A 91 -9.696 -0.471 -6.868 1.00 1.01 C ATOM 1181 CE2 TYR A 91 -11.832 0.530 -7.336 1.00 1.13 C ATOM 1182 CZ TYR A 91 -10.562 0.160 -7.752 1.00 1.10 C ATOM 1183 OH TYR A 91 -10.156 0.421 -9.044 1.00 1.15 O ATOM 0 H TYR A 91 -9.491 -0.754 -2.219 1.00 0.80 H new ATOM 0 HA TYR A 91 -11.479 1.314 -2.954 1.00 0.88 H new ATOM 0 HB2 TYR A 91 -11.552 -1.681 -3.454 1.00 0.96 H new ATOM 0 HB3 TYR A 91 -12.920 -0.607 -3.669 1.00 0.96 H new ATOM 0 HD1 TYR A 91 -9.433 -1.223 -4.877 1.00 0.96 H new ATOM 0 HD2 TYR A 91 -13.226 0.558 -5.706 1.00 1.08 H new ATOM 0 HE1 TYR A 91 -8.706 -0.758 -7.191 1.00 1.01 H new ATOM 0 HE2 TYR A 91 -12.506 1.021 -8.023 1.00 1.13 H new ATOM 0 HH TYR A 91 -10.881 0.865 -9.531 1.00 1.15 H new ATOM 1193 N GLN A 92 -12.849 0.801 -0.929 1.00 0.91 N ATOM 1194 CA GLN A 92 -13.557 0.607 0.326 1.00 0.92 C ATOM 1195 C GLN A 92 -14.172 -0.784 0.219 1.00 0.97 C ATOM 1196 O GLN A 92 -14.730 -1.140 -0.825 1.00 1.03 O ATOM 1197 CB GLN A 92 -14.638 1.685 0.475 1.00 0.98 C ATOM 1198 CG GLN A 92 -15.668 1.460 1.579 1.00 1.02 C ATOM 1199 CD GLN A 92 -15.075 1.428 2.974 1.00 0.97 C ATOM 1200 OE1 GLN A 92 -14.058 2.070 3.249 1.00 0.91 O ATOM 1201 NE2 GLN A 92 -15.725 0.694 3.874 1.00 1.01 N ATOM 0 H GLN A 92 -13.165 1.606 -1.470 1.00 0.91 H new ATOM 0 HA GLN A 92 -12.909 0.686 1.199 1.00 0.92 H new ATOM 0 HB2 GLN A 92 -14.146 2.641 0.655 1.00 0.98 H new ATOM 0 HB3 GLN A 92 -15.167 1.773 -0.474 1.00 0.98 H new ATOM 0 HG2 GLN A 92 -16.417 2.251 1.531 1.00 1.02 H new ATOM 0 HG3 GLN A 92 -16.186 0.519 1.393 1.00 1.02 H new ATOM 0 HE21 GLN A 92 -16.563 0.179 3.603 1.00 1.01 H new ATOM 0 HE22 GLN A 92 -15.386 0.647 4.835 1.00 1.01 H new ATOM 1210 N GLU A 93 -14.051 -1.584 1.273 1.00 0.95 N ATOM 1211 CA GLU A 93 -14.601 -2.929 1.229 1.00 1.00 C ATOM 1212 C GLU A 93 -16.100 -2.891 1.476 1.00 1.09 C ATOM 1213 O GLU A 93 -16.596 -2.109 2.291 1.00 1.10 O ATOM 1214 CB GLU A 93 -13.916 -3.841 2.250 1.00 0.97 C ATOM 1215 CG GLU A 93 -14.121 -5.325 1.950 1.00 1.02 C ATOM 1216 CD GLU A 93 -13.596 -5.723 0.572 1.00 1.02 C ATOM 1217 OE1 GLU A 93 -12.368 -5.935 0.434 1.00 0.96 O ATOM 1218 OE2 GLU A 93 -14.415 -5.811 -0.373 1.00 1.08 O ATOM 0 H GLU A 93 -13.589 -1.331 2.146 1.00 0.95 H new ATOM 0 HA GLU A 93 -14.416 -3.338 0.236 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -12.848 -3.623 2.267 1.00 0.97 H new ATOM 0 HB3 GLU A 93 -14.302 -3.619 3.245 1.00 0.97 H new ATOM 0 HG2 GLU A 93 -13.617 -5.919 2.712 1.00 1.02 H new ATOM 0 HG3 GLU A 93 -15.183 -5.561 2.012 1.00 1.02 H new ATOM 1225 N GLN A 94 -16.809 -3.756 0.757 1.00 1.16 N ATOM 1226 CA GLN A 94 -18.259 -3.828 0.835 1.00 1.25 C ATOM 1227 C GLN A 94 -18.715 -5.238 0.494 1.00 1.31 C ATOM 1228 O GLN A 94 -17.910 -6.068 0.068 1.00 1.28 O ATOM 1229 CB GLN A 94 -18.845 -2.867 -0.182 1.00 1.29 C ATOM 1230 CG GLN A 94 -18.419 -3.229 -1.593 1.00 1.30 C ATOM 1231 CD GLN A 94 -18.751 -2.162 -2.597 1.00 1.33 C ATOM 1232 OE1 GLN A 94 -18.182 -1.066 -2.573 1.00 1.29 O ATOM 1233 NE2 GLN A 94 -19.682 -2.468 -3.492 1.00 1.42 N ATOM 0 H GLN A 94 -16.394 -4.423 0.107 1.00 1.16 H new ATOM 0 HA GLN A 94 -18.589 -3.569 1.841 1.00 1.25 H new ATOM 0 HB2 GLN A 94 -19.933 -2.881 -0.114 1.00 1.29 H new ATOM 0 HB3 GLN A 94 -18.524 -1.851 0.048 1.00 1.29 H new ATOM 0 HG2 GLN A 94 -17.345 -3.412 -1.607 1.00 1.30 H new ATOM 0 HG3 GLN A 94 -18.905 -4.160 -1.886 1.00 1.30 H new ATOM 0 HE21 GLN A 94 -20.125 -3.387 -3.473 1.00 1.42 H new ATOM 0 HE22 GLN A 94 -19.954 -1.785 -4.199 1.00 1.42 H new ATOM 1242 N THR A 95 -20.011 -5.487 0.669 1.00 1.39 N ATOM 1243 CA THR A 95 -20.627 -6.779 0.374 1.00 1.45 C ATOM 1244 C THR A 95 -22.045 -6.524 -0.130 1.00 1.54 C ATOM 1245 O THR A 95 -22.566 -5.416 0.009 1.00 1.55 O ATOM 1246 CB THR A 95 -20.721 -7.667 1.631 1.00 1.47 C ATOM 1247 OG1 THR A 95 -21.572 -7.038 2.599 1.00 1.49 O ATOM 1248 CG2 THR A 95 -19.343 -7.883 2.241 1.00 1.39 C ATOM 0 H THR A 95 -20.669 -4.792 1.022 1.00 1.39 H new ATOM 0 HA THR A 95 -20.014 -7.292 -0.367 1.00 1.45 H new ATOM 0 HB THR A 95 -21.134 -8.634 1.343 1.00 1.47 H new ATOM 0 HG1 THR A 95 -21.633 -7.603 3.397 1.00 1.49 H new ATOM 0 HG21 THR A 95 -19.432 -8.512 3.127 1.00 1.39 H new ATOM 0 HG22 THR A 95 -18.695 -8.371 1.513 1.00 1.39 H new ATOM 0 HG23 THR A 95 -18.914 -6.921 2.521 1.00 1.39 H new ATOM 1256 N GLY A 96 -22.668 -7.546 -0.710 1.00 1.61 N ATOM 1257 CA GLY A 96 -24.024 -7.386 -1.208 1.00 1.70 C ATOM 1258 C GLY A 96 -25.014 -7.150 -0.082 1.00 1.74 C ATOM 1259 O GLY A 96 -24.621 -6.902 1.059 1.00 1.69 O ATOM 0 H GLY A 96 -22.264 -8.473 -0.843 1.00 1.61 H new ATOM 0 HA2 GLY A 96 -24.059 -6.548 -1.904 1.00 1.70 H new ATOM 0 HA3 GLY A 96 -24.314 -8.276 -1.766 1.00 1.70 H new ATOM 1263 N GLY A 97 -26.300 -7.227 -0.398 1.00 1.82 N ATOM 1264 CA GLY A 97 -27.358 -7.029 0.594 1.00 1.87 C ATOM 1265 C GLY A 97 -28.620 -7.765 0.148 1.00 1.97 C ATOM 1266 O GLY A 97 -28.665 -8.312 -0.957 1.00 2.00 O ATOM 0 H GLY A 97 -26.641 -7.426 -1.338 1.00 1.82 H new ATOM 0 HA2 GLY A 97 -27.033 -7.399 1.566 1.00 1.87 H new ATOM 0 HA3 GLY A 97 -27.567 -5.966 0.711 1.00 1.87 H new TER 1270 GLY A 97 ATOM 1271 N ASP B2705 10.318 0.990 12.488 1.00 4.63 N ATOM 1272 CA ASP B2705 10.507 -0.356 13.087 1.00 4.28 C ATOM 1273 C ASP B2705 11.938 -0.518 13.590 1.00 3.25 C ATOM 1274 O ASP B2705 12.817 0.277 13.254 1.00 3.36 O ATOM 1275 CB ASP B2705 10.186 -1.440 12.055 1.00 4.99 C ATOM 1276 CG ASP B2705 9.789 -2.759 12.690 1.00 5.76 C ATOM 1277 OD1 ASP B2705 8.617 -2.891 13.102 1.00 6.28 O ATOM 1278 OD2 ASP B2705 10.647 -3.662 12.770 1.00 6.16 O ATOM 0 HA ASP B2705 9.827 -0.460 13.933 1.00 4.28 H new ATOM 0 HB2 ASP B2705 9.377 -1.094 11.412 1.00 4.99 H new ATOM 0 HB3 ASP B2705 11.056 -1.597 11.417 1.00 4.99 H new ATOM 1285 N ASN B2706 12.163 -1.549 14.397 1.00 2.76 N ATOM 1286 CA ASN B2706 13.484 -1.815 14.953 1.00 2.39 C ATOM 1287 C ASN B2706 14.340 -2.619 13.974 1.00 1.84 C ATOM 1288 O ASN B2706 15.554 -2.424 13.895 1.00 2.37 O ATOM 1289 CB ASN B2706 13.350 -2.573 16.277 1.00 2.90 C ATOM 1290 CG ASN B2706 14.654 -2.650 17.050 1.00 3.58 C ATOM 1291 OD1 ASN B2706 15.471 -1.730 17.009 1.00 3.87 O ATOM 1292 ND2 ASN B2706 14.856 -3.755 17.758 1.00 4.39 N ATOM 0 H ASN B2706 11.445 -2.216 14.681 1.00 2.76 H new ATOM 0 HA ASN B2706 13.978 -0.860 15.132 1.00 2.39 H new ATOM 0 HB2 ASN B2706 12.596 -2.085 16.894 1.00 2.90 H new ATOM 0 HB3 ASN B2706 12.992 -3.583 16.077 1.00 2.90 H new ATOM 0 HD21 ASN B2706 15.715 -3.866 18.296 1.00 4.39 H new ATOM 0 HD22 ASN B2706 14.152 -4.493 17.764 1.00 4.39 H new ATOM 1299 N GLU B2707 13.703 -3.518 13.226 1.00 1.74 N ATOM 1300 CA GLU B2707 14.417 -4.352 12.264 1.00 2.20 C ATOM 1301 C GLU B2707 14.395 -3.741 10.861 1.00 1.81 C ATOM 1302 O GLU B2707 15.404 -3.211 10.395 1.00 2.28 O ATOM 1303 CB GLU B2707 13.809 -5.757 12.236 1.00 3.18 C ATOM 1304 CG GLU B2707 13.782 -6.435 13.598 1.00 3.78 C ATOM 1305 CD GLU B2707 13.113 -7.795 13.561 1.00 3.83 C ATOM 1306 OE1 GLU B2707 11.874 -7.851 13.709 1.00 3.75 O ATOM 1307 OE2 GLU B2707 13.828 -8.804 13.387 1.00 4.39 O ATOM 0 H GLU B2707 12.698 -3.686 13.268 1.00 1.74 H new ATOM 0 HA GLU B2707 15.458 -4.413 12.583 1.00 2.20 H new ATOM 0 HB2 GLU B2707 12.792 -5.696 11.849 1.00 3.18 H new ATOM 0 HB3 GLU B2707 14.377 -6.376 11.542 1.00 3.18 H new ATOM 0 HG2 GLU B2707 14.803 -6.546 13.964 1.00 3.78 H new ATOM 0 HG3 GLU B2707 13.257 -5.795 14.307 1.00 3.78 H new ATOM 1314 N ILE B2708 13.239 -3.809 10.193 1.00 1.35 N ATOM 1315 CA ILE B2708 13.102 -3.265 8.838 1.00 1.26 C ATOM 1316 C ILE B2708 11.744 -2.587 8.656 1.00 0.89 C ATOM 1317 O ILE B2708 10.753 -2.995 9.263 1.00 1.03 O ATOM 1318 CB ILE B2708 13.265 -4.352 7.744 1.00 1.95 C ATOM 1319 CG1 ILE B2708 13.928 -5.618 8.305 1.00 2.57 C ATOM 1320 CG2 ILE B2708 14.082 -3.797 6.587 1.00 2.64 C ATOM 1321 CD1 ILE B2708 13.965 -6.777 7.330 1.00 3.48 C ATOM 0 H ILE B2708 12.389 -4.233 10.566 1.00 1.35 H new ATOM 0 HA ILE B2708 13.903 -2.535 8.722 1.00 1.26 H new ATOM 0 HB ILE B2708 12.273 -4.629 7.388 1.00 1.95 H new ATOM 0 HG12 ILE B2708 14.947 -5.378 8.608 1.00 2.57 H new ATOM 0 HG13 ILE B2708 13.393 -5.929 9.203 1.00 2.57 H new ATOM 0 HG21 ILE B2708 14.194 -4.564 5.820 1.00 2.64 H new ATOM 0 HG22 ILE B2708 13.572 -2.932 6.163 1.00 2.64 H new ATOM 0 HG23 ILE B2708 15.066 -3.497 6.947 1.00 2.64 H new ATOM 0 HD11 ILE B2708 14.448 -7.633 7.801 1.00 3.48 H new ATOM 0 HD12 ILE B2708 12.948 -7.046 7.045 1.00 3.48 H new ATOM 0 HD13 ILE B2708 14.526 -6.487 6.441 1.00 3.48 H new ATOM 1333 N GLU B2709 11.700 -1.559 7.803 1.00 0.95 N ATOM 1334 CA GLU B2709 10.465 -0.813 7.555 1.00 0.87 C ATOM 1335 C GLU B2709 10.573 0.081 6.336 1.00 0.65 C ATOM 1336 O GLU B2709 11.668 0.429 5.890 1.00 0.80 O ATOM 1337 CB GLU B2709 10.075 0.059 8.734 1.00 1.45 C ATOM 1338 CG GLU B2709 8.590 -0.008 9.063 1.00 2.04 C ATOM 1339 CD GLU B2709 8.155 1.062 10.044 1.00 2.40 C ATOM 1340 OE1 GLU B2709 8.280 2.258 9.711 1.00 2.91 O ATOM 1341 OE2 GLU B2709 7.691 0.702 11.146 1.00 2.74 O ATOM 0 H GLU B2709 12.505 -1.225 7.273 1.00 0.95 H new ATOM 0 HA GLU B2709 9.701 -1.573 7.390 1.00 0.87 H new ATOM 0 HB2 GLU B2709 10.649 -0.246 9.609 1.00 1.45 H new ATOM 0 HB3 GLU B2709 10.347 1.092 8.519 1.00 1.45 H new ATOM 0 HG2 GLU B2709 8.014 0.094 8.143 1.00 2.04 H new ATOM 0 HG3 GLU B2709 8.359 -0.989 9.477 1.00 2.04 H new ATOM 1348 N VAL B2710 9.416 0.440 5.803 1.00 0.63 N ATOM 1349 CA VAL B2710 9.333 1.301 4.641 1.00 0.56 C ATOM 1350 C VAL B2710 9.092 2.754 5.067 1.00 0.52 C ATOM 1351 O VAL B2710 8.590 3.014 6.164 1.00 0.61 O ATOM 1352 CB VAL B2710 8.193 0.837 3.708 1.00 0.75 C ATOM 1353 CG1 VAL B2710 8.263 -0.668 3.505 1.00 1.34 C ATOM 1354 CG2 VAL B2710 6.827 1.231 4.259 1.00 1.24 C ATOM 0 H VAL B2710 8.511 0.141 6.166 1.00 0.63 H new ATOM 0 HA VAL B2710 10.279 1.241 4.104 1.00 0.56 H new ATOM 0 HB VAL B2710 8.322 1.335 2.747 1.00 0.75 H new ATOM 0 HG11 VAL B2710 7.455 -0.984 2.846 1.00 1.34 H new ATOM 0 HG12 VAL B2710 9.221 -0.930 3.056 1.00 1.34 H new ATOM 0 HG13 VAL B2710 8.164 -1.170 4.467 1.00 1.34 H new ATOM 0 HG21 VAL B2710 6.048 0.889 3.578 1.00 1.24 H new ATOM 0 HG22 VAL B2710 6.682 0.771 5.236 1.00 1.24 H new ATOM 0 HG23 VAL B2710 6.773 2.315 4.357 1.00 1.24 H new ATOM 1364 N ILE B2711 9.466 3.696 4.205 1.00 0.51 N ATOM 1365 CA ILE B2711 9.294 5.119 4.498 1.00 0.51 C ATOM 1366 C ILE B2711 8.162 5.701 3.663 1.00 0.52 C ATOM 1367 O ILE B2711 8.218 5.690 2.434 1.00 0.66 O ATOM 1368 CB ILE B2711 10.589 5.916 4.224 1.00 0.66 C ATOM 1369 CG1 ILE B2711 11.758 5.324 5.016 1.00 0.98 C ATOM 1370 CG2 ILE B2711 10.395 7.386 4.579 1.00 0.83 C ATOM 1371 CD1 ILE B2711 13.102 5.919 4.652 1.00 1.65 C ATOM 0 H ILE B2711 9.890 3.501 3.298 1.00 0.51 H new ATOM 0 HA ILE B2711 9.051 5.204 5.557 1.00 0.51 H new ATOM 0 HB ILE B2711 10.820 5.845 3.161 1.00 0.66 H new ATOM 0 HG12 ILE B2711 11.579 5.477 6.080 1.00 0.98 H new ATOM 0 HG13 ILE B2711 11.790 4.247 4.850 1.00 0.98 H new ATOM 0 HG21 ILE B2711 11.317 7.933 4.380 1.00 0.83 H new ATOM 0 HG22 ILE B2711 9.588 7.803 3.976 1.00 0.83 H new ATOM 0 HG23 ILE B2711 10.141 7.475 5.635 1.00 0.83 H new ATOM 0 HD11 ILE B2711 13.882 5.451 5.253 1.00 1.65 H new ATOM 0 HD12 ILE B2711 13.304 5.743 3.595 1.00 1.65 H new ATOM 0 HD13 ILE B2711 13.089 6.992 4.845 1.00 1.65 H new ATOM 1383 N ILE B2712 7.136 6.211 4.335 1.00 0.60 N ATOM 1384 CA ILE B2712 5.984 6.773 3.643 1.00 0.76 C ATOM 1385 C ILE B2712 5.690 8.203 4.081 1.00 0.66 C ATOM 1386 O ILE B2712 5.523 8.485 5.267 1.00 0.92 O ATOM 1387 CB ILE B2712 4.722 5.904 3.859 1.00 1.23 C ATOM 1388 CG1 ILE B2712 4.287 5.911 5.328 1.00 0.99 C ATOM 1389 CG2 ILE B2712 4.984 4.479 3.400 1.00 1.76 C ATOM 1390 CD1 ILE B2712 2.800 5.711 5.521 1.00 1.49 C ATOM 0 H ILE B2712 7.079 6.247 5.353 1.00 0.60 H new ATOM 0 HA ILE B2712 6.240 6.784 2.583 1.00 0.76 H new ATOM 0 HB ILE B2712 3.914 6.330 3.265 1.00 1.23 H new ATOM 0 HG12 ILE B2712 4.823 5.125 5.860 1.00 0.99 H new ATOM 0 HG13 ILE B2712 4.579 6.859 5.780 1.00 0.99 H new ATOM 0 HG21 ILE B2712 4.090 3.876 3.556 1.00 1.76 H new ATOM 0 HG22 ILE B2712 5.241 4.479 2.341 1.00 1.76 H new ATOM 0 HG23 ILE B2712 5.810 4.058 3.973 1.00 1.76 H new ATOM 0 HD11 ILE B2712 2.566 5.727 6.585 1.00 1.49 H new ATOM 0 HD12 ILE B2712 2.257 6.511 5.018 1.00 1.49 H new ATOM 0 HD13 ILE B2712 2.504 4.750 5.099 1.00 1.49 H new ATOM 1402 N VAL B2713 5.653 9.103 3.099 1.00 0.48 N ATOM 1403 CA VAL B2713 5.342 10.490 3.322 1.00 0.53 C ATOM 1404 C VAL B2713 5.017 11.187 2.009 1.00 0.46 C ATOM 1405 O VAL B2713 5.872 11.336 1.135 1.00 0.73 O ATOM 1406 CB VAL B2713 6.468 11.285 4.031 1.00 0.90 C ATOM 1407 CG1 VAL B2713 6.233 11.350 5.533 1.00 1.67 C ATOM 1408 CG2 VAL B2713 7.843 10.703 3.717 1.00 0.89 C ATOM 0 H VAL B2713 5.842 8.875 2.123 1.00 0.48 H new ATOM 0 HA VAL B2713 4.478 10.482 3.986 1.00 0.53 H new ATOM 0 HB VAL B2713 6.444 12.304 3.644 1.00 0.90 H new ATOM 0 HG11 VAL B2713 7.039 11.914 6.003 1.00 1.67 H new ATOM 0 HG12 VAL B2713 5.281 11.843 5.731 1.00 1.67 H new ATOM 0 HG13 VAL B2713 6.210 10.340 5.942 1.00 1.67 H new ATOM 0 HG21 VAL B2713 8.610 11.284 4.230 1.00 0.89 H new ATOM 0 HG22 VAL B2713 7.886 9.668 4.055 1.00 0.89 H new ATOM 0 HG23 VAL B2713 8.017 10.741 2.642 1.00 0.89 H new ATOM 1418 N TRP B2714 3.766 11.592 1.884 1.00 0.61 N ATOM 1419 CA TRP B2714 3.298 12.309 0.707 1.00 0.78 C ATOM 1420 C TRP B2714 3.426 13.815 0.901 1.00 0.59 C ATOM 1421 O TRP B2714 3.909 14.286 1.932 1.00 0.64 O ATOM 1422 CB TRP B2714 1.838 11.955 0.416 1.00 1.23 C ATOM 1423 CG TRP B2714 1.403 12.315 -0.978 1.00 1.60 C ATOM 1424 CD1 TRP B2714 1.993 11.951 -2.153 1.00 2.29 C ATOM 1425 CD2 TRP B2714 0.292 13.136 -1.331 1.00 1.43 C ATOM 1426 NE1 TRP B2714 1.311 12.493 -3.214 1.00 2.54 N ATOM 1427 CE2 TRP B2714 0.260 13.227 -2.735 1.00 1.99 C ATOM 1428 CE3 TRP B2714 -0.682 13.801 -0.591 1.00 1.04 C ATOM 1429 CZ2 TRP B2714 -0.712 13.958 -3.411 1.00 2.02 C ATOM 1430 CZ3 TRP B2714 -1.642 14.522 -1.261 1.00 1.13 C ATOM 1431 CH2 TRP B2714 -1.653 14.599 -2.655 1.00 1.52 C ATOM 0 H TRP B2714 3.047 11.435 2.591 1.00 0.61 H new ATOM 0 HA TRP B2714 3.919 12.010 -0.137 1.00 0.78 H new ATOM 0 HB2 TRP B2714 1.694 10.885 0.569 1.00 1.23 H new ATOM 0 HB3 TRP B2714 1.197 12.469 1.133 1.00 1.23 H new ATOM 0 HD1 TRP B2714 2.870 11.326 -2.236 1.00 2.29 H new ATOM 0 HE1 TRP B2714 1.549 12.369 -4.198 1.00 2.54 H new ATOM 0 HE3 TRP B2714 -0.683 13.751 0.488 1.00 1.04 H new ATOM 0 HZ2 TRP B2714 -0.722 14.016 -4.489 1.00 2.02 H new ATOM 0 HZ3 TRP B2714 -2.404 15.040 -0.697 1.00 1.13 H new ATOM 0 HH2 TRP B2714 -2.421 15.177 -3.146 1.00 1.52 H new ATOM 1442 N GLU B2715 2.988 14.556 -0.107 1.00 0.74 N ATOM 1443 CA GLU B2715 2.975 16.000 -0.059 1.00 0.90 C ATOM 1444 C GLU B2715 1.835 16.506 -0.943 1.00 1.00 C ATOM 1445 O GLU B2715 1.705 16.079 -2.091 1.00 1.22 O ATOM 1446 CB GLU B2715 4.320 16.585 -0.512 1.00 1.30 C ATOM 1447 CG GLU B2715 4.816 17.739 0.351 1.00 1.65 C ATOM 1448 CD GLU B2715 3.968 18.989 0.218 1.00 2.28 C ATOM 1449 OE1 GLU B2715 4.166 19.737 -0.763 1.00 2.78 O ATOM 1450 OE2 GLU B2715 3.107 19.220 1.091 1.00 2.86 O ATOM 0 H GLU B2715 2.632 14.166 -0.980 1.00 0.74 H new ATOM 0 HA GLU B2715 2.817 16.326 0.969 1.00 0.90 H new ATOM 0 HB2 GLU B2715 5.069 15.793 -0.507 1.00 1.30 H new ATOM 0 HB3 GLU B2715 4.226 16.929 -1.542 1.00 1.30 H new ATOM 0 HG2 GLU B2715 4.828 17.425 1.395 1.00 1.65 H new ATOM 0 HG3 GLU B2715 5.844 17.974 0.077 1.00 1.65 H new ATOM 1457 N LYS B2716 1.015 17.411 -0.415 1.00 1.01 N ATOM 1458 CA LYS B2716 -0.124 17.935 -1.168 1.00 1.14 C ATOM 1459 C LYS B2716 0.291 19.028 -2.141 1.00 1.54 C ATOM 1460 O LYS B2716 1.239 19.773 -1.896 1.00 1.82 O ATOM 1461 CB LYS B2716 -1.205 18.466 -0.222 1.00 1.14 C ATOM 1462 CG LYS B2716 -2.388 17.517 -0.049 1.00 1.00 C ATOM 1463 CD LYS B2716 -3.204 17.373 -1.328 1.00 1.13 C ATOM 1464 CE LYS B2716 -4.089 18.586 -1.568 1.00 1.91 C ATOM 1465 NZ LYS B2716 -4.755 18.527 -2.897 1.00 2.12 N ATOM 0 H LYS B2716 1.115 17.795 0.524 1.00 1.01 H new ATOM 0 HA LYS B2716 -0.530 17.105 -1.747 1.00 1.14 H new ATOM 0 HB2 LYS B2716 -0.759 18.658 0.754 1.00 1.14 H new ATOM 0 HB3 LYS B2716 -1.569 19.421 -0.600 1.00 1.14 H new ATOM 0 HG2 LYS B2716 -2.023 16.537 0.259 1.00 1.00 H new ATOM 0 HG3 LYS B2716 -3.031 17.884 0.751 1.00 1.00 H new ATOM 0 HD2 LYS B2716 -2.532 17.239 -2.176 1.00 1.13 H new ATOM 0 HD3 LYS B2716 -3.822 16.477 -1.267 1.00 1.13 H new ATOM 0 HE2 LYS B2716 -4.845 18.646 -0.785 1.00 1.91 H new ATOM 0 HE3 LYS B2716 -3.489 19.493 -1.502 1.00 1.91 H new ATOM 0 HZ1 LYS B2716 -5.350 19.370 -3.025 1.00 2.12 H new ATOM 0 HZ2 LYS B2716 -4.034 18.495 -3.646 1.00 2.12 H new ATOM 0 HZ3 LYS B2716 -5.348 17.674 -2.951 1.00 2.12 H new ATOM 1479 N LYS B2717 -0.435 19.109 -3.249 1.00 1.64 N ATOM 1480 CA LYS B2717 -0.167 20.104 -4.276 1.00 2.06 C ATOM 1481 C LYS B2717 -1.384 21.000 -4.494 1.00 2.07 C ATOM 1482 O LYS B2717 -2.413 20.492 -4.989 1.00 1.91 O ATOM 1483 CB LYS B2717 0.224 19.411 -5.583 1.00 2.26 C ATOM 1484 CG LYS B2717 1.724 19.234 -5.753 1.00 2.77 C ATOM 1485 CD LYS B2717 2.429 20.572 -5.921 1.00 3.42 C ATOM 1486 CE LYS B2717 3.759 20.603 -5.182 1.00 4.08 C ATOM 1487 NZ LYS B2717 3.579 20.469 -3.710 1.00 4.44 N ATOM 1488 OXT LYS B2717 -1.297 22.203 -4.166 1.00 2.51 O ATOM 0 H LYS B2717 -1.219 18.492 -3.459 1.00 1.64 H new ATOM 0 HA LYS B2717 0.660 20.731 -3.944 1.00 2.06 H new ATOM 0 HB2 LYS B2717 -0.256 18.433 -5.624 1.00 2.26 H new ATOM 0 HB3 LYS B2717 -0.162 19.991 -6.421 1.00 2.26 H new ATOM 0 HG2 LYS B2717 2.130 18.714 -4.886 1.00 2.77 H new ATOM 0 HG3 LYS B2717 1.921 18.606 -6.622 1.00 2.77 H new ATOM 0 HD2 LYS B2717 2.597 20.765 -6.981 1.00 3.42 H new ATOM 0 HD3 LYS B2717 1.787 21.371 -5.549 1.00 3.42 H new ATOM 0 HE2 LYS B2717 4.395 19.796 -5.545 1.00 4.08 H new ATOM 0 HE3 LYS B2717 4.275 21.538 -5.401 1.00 4.08 H new ATOM 0 HZ1 LYS B2717 4.404 20.871 -3.221 1.00 4.44 H new ATOM 0 HZ2 LYS B2717 2.721 20.979 -3.417 1.00 4.44 H new ATOM 0 HZ3 LYS B2717 3.486 19.463 -3.462 1.00 4.44 H new TER 1502 LYS B2717