USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 588 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 31 ASN : amide:sc= -4.61! C(o=-4.1!,f=-18!) USER MOD Set 1.2: A 76 SER OG : rot -61:sc= 0.548 USER MOD Set 2.1: A 21 HIS : no HE2:sc= -15.5! C(o=-21!,f=-25!) USER MOD Set 2.2: A 53 ASN : amide:sc= -5.78! C(o=-21!,f=-27!) USER MOD Set 3.1: A 18 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.7) USER MOD Set 3.2: A 49 SER OG : rot 170:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.0081) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -1.39 K(o=-1.4,f=-0.13) USER MOD Single : A 19 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.14) USER MOD Single : A 23 HIS : no HD1:sc=-0.00976 X(o=-0.0098,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 73:sc= 0.519 USER MOD Single : A 33 ASN : amide:sc= -0.209 K(o=-0.21,f=-0.97) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.58) USER MOD Single : A 39 TYR OH : rot 180:sc=-0.00343 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0139 K(o=-0.014,f=-0.97) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 66 GLN : amide:sc= -0.291 X(o=-0.29,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -18.406 -11.459 6.441 1.00 6.51 N ATOM 2 CA ILE A 6 -17.322 -12.363 6.073 1.00 5.95 C ATOM 3 C ILE A 6 -16.477 -11.758 4.958 1.00 5.14 C ATOM 4 O ILE A 6 -15.262 -11.620 5.093 1.00 5.46 O ATOM 5 CB ILE A 6 -17.893 -13.702 5.621 1.00 6.67 C ATOM 6 CG1 ILE A 6 -18.884 -14.238 6.653 1.00 7.44 C ATOM 7 CG2 ILE A 6 -16.776 -14.713 5.375 1.00 6.84 C ATOM 8 CD1 ILE A 6 -20.324 -13.909 6.271 1.00 8.10 C ATOM 0 HA ILE A 6 -16.688 -12.518 6.946 1.00 5.95 H new ATOM 0 HB ILE A 6 -18.423 -13.546 4.682 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -18.768 -15.318 6.743 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -18.659 -13.811 7.630 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -17.208 -15.661 5.053 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -16.109 -14.336 4.600 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -16.213 -14.865 6.296 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -21.001 -14.306 7.028 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -20.445 -12.828 6.207 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -20.556 -14.358 5.305 1.00 8.10 H new ATOM 20 N ASN A 7 -17.128 -11.398 3.857 1.00 4.48 N ATOM 21 CA ASN A 7 -16.437 -10.805 2.718 1.00 4.06 C ATOM 22 C ASN A 7 -16.713 -9.309 2.649 1.00 3.11 C ATOM 23 O ASN A 7 -17.552 -8.858 1.869 1.00 3.46 O ATOM 24 CB ASN A 7 -16.890 -11.479 1.426 1.00 4.82 C ATOM 25 CG ASN A 7 -15.942 -11.132 0.285 1.00 5.60 C ATOM 26 OD1 ASN A 7 -16.359 -10.604 -0.745 1.00 5.87 O ATOM 27 ND2 ASN A 7 -14.660 -11.430 0.470 1.00 6.34 N ATOM 0 H ASN A 7 -18.134 -11.507 3.729 1.00 4.48 H new ATOM 0 HA ASN A 7 -15.365 -10.956 2.843 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -16.923 -12.560 1.564 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -17.902 -11.159 1.177 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -13.978 -11.221 -0.259 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -14.359 -11.868 1.341 1.00 6.34 H new ATOM 34 N ARG A 8 -16.003 -8.544 3.471 1.00 2.49 N ATOM 35 CA ARG A 8 -16.169 -7.096 3.508 1.00 2.11 C ATOM 36 C ARG A 8 -14.893 -6.399 3.059 1.00 1.69 C ATOM 37 O ARG A 8 -14.832 -5.833 1.967 1.00 2.38 O ATOM 38 CB ARG A 8 -16.531 -6.649 4.922 1.00 2.95 C ATOM 39 CG ARG A 8 -18.043 -6.601 5.127 1.00 3.61 C ATOM 40 CD ARG A 8 -18.432 -5.617 6.226 1.00 4.57 C ATOM 41 NE ARG A 8 -19.753 -5.940 6.753 1.00 5.39 N ATOM 42 CZ ARG A 8 -20.209 -5.397 7.876 1.00 6.19 C ATOM 43 NH1 ARG A 8 -20.122 -4.089 8.067 1.00 6.74 N ATOM 44 NH2 ARG A 8 -20.755 -6.165 8.810 1.00 6.68 N ATOM 0 H ARG A 8 -15.305 -8.904 4.122 1.00 2.49 H new ATOM 0 HA ARG A 8 -16.974 -6.823 2.826 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -16.087 -7.333 5.645 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -16.106 -5.664 5.113 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -18.528 -6.315 4.194 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -18.407 -7.596 5.383 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -17.695 -5.649 7.029 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -18.429 -4.601 5.831 1.00 4.57 H new ATOM 0 HE ARG A 8 -20.342 -6.600 6.246 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -19.704 -3.496 7.350 1.00 6.74 H new ATOM 0 HH12 ARG A 8 -20.473 -3.675 8.931 1.00 6.74 H new ATOM 0 HH21 ARG A 8 -20.824 -7.172 8.666 1.00 6.68 H new ATOM 0 HH22 ARG A 8 -21.105 -5.748 9.673 1.00 6.68 H new ATOM 58 N MET A 9 -13.872 -6.442 3.909 1.00 1.18 N ATOM 59 CA MET A 9 -12.592 -5.814 3.606 1.00 0.82 C ATOM 60 C MET A 9 -11.956 -6.457 2.380 1.00 0.72 C ATOM 61 O MET A 9 -11.996 -7.676 2.213 1.00 0.97 O ATOM 62 CB MET A 9 -11.654 -5.941 4.803 1.00 1.08 C ATOM 63 CG MET A 9 -12.013 -4.951 5.906 1.00 1.61 C ATOM 64 SD MET A 9 -13.368 -5.531 6.941 1.00 2.27 S ATOM 65 CE MET A 9 -12.459 -6.320 8.279 1.00 2.82 C ATOM 0 H MET A 9 -13.907 -6.907 4.816 1.00 1.18 H new ATOM 0 HA MET A 9 -12.766 -4.759 3.395 1.00 0.82 H new ATOM 0 HB2 MET A 9 -11.700 -6.957 5.196 1.00 1.08 H new ATOM 0 HB3 MET A 9 -10.627 -5.770 4.481 1.00 1.08 H new ATOM 0 HG2 MET A 9 -11.136 -4.772 6.528 1.00 1.61 H new ATOM 0 HG3 MET A 9 -12.286 -3.996 5.457 1.00 1.61 H new ATOM 0 HE1 MET A 9 -13.162 -6.730 9.004 1.00 2.82 H new ATOM 0 HE2 MET A 9 -11.843 -7.124 7.876 1.00 2.82 H new ATOM 0 HE3 MET A 9 -11.821 -5.584 8.768 1.00 2.82 H new ATOM 75 N ASP A 10 -11.362 -5.629 1.526 1.00 0.49 N ATOM 76 CA ASP A 10 -10.707 -6.112 0.314 1.00 0.42 C ATOM 77 C ASP A 10 -9.220 -5.794 0.360 1.00 0.38 C ATOM 78 O ASP A 10 -8.829 -4.684 0.718 1.00 0.54 O ATOM 79 CB ASP A 10 -11.338 -5.466 -0.917 1.00 0.44 C ATOM 80 CG ASP A 10 -12.124 -6.500 -1.712 1.00 0.86 C ATOM 81 OD1 ASP A 10 -11.677 -7.664 -1.783 1.00 1.53 O ATOM 82 OD2 ASP A 10 -13.186 -6.143 -2.266 1.00 1.55 O ATOM 0 H ASP A 10 -11.321 -4.618 1.651 1.00 0.49 H new ATOM 0 HA ASP A 10 -10.837 -7.193 0.253 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.998 -4.654 -0.612 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -10.562 -5.028 -1.544 1.00 0.44 H new ATOM 87 N TYR A 11 -8.391 -6.772 0.005 1.00 0.40 N ATOM 88 CA TYR A 11 -6.944 -6.585 0.020 1.00 0.37 C ATOM 89 C TYR A 11 -6.336 -6.875 -1.347 1.00 0.34 C ATOM 90 O TYR A 11 -6.932 -7.566 -2.172 1.00 0.38 O ATOM 91 CB TYR A 11 -6.312 -7.496 1.067 1.00 0.42 C ATOM 92 CG TYR A 11 -6.394 -8.958 0.705 1.00 0.48 C ATOM 93 CD1 TYR A 11 -7.540 -9.680 0.987 1.00 0.54 C ATOM 94 CD2 TYR A 11 -5.325 -9.582 0.087 1.00 0.57 C ATOM 95 CE1 TYR A 11 -7.617 -11.020 0.651 1.00 0.63 C ATOM 96 CE2 TYR A 11 -5.401 -10.922 -0.247 1.00 0.67 C ATOM 97 CZ TYR A 11 -6.543 -11.639 0.046 1.00 0.67 C ATOM 98 OH TYR A 11 -6.622 -12.969 -0.300 1.00 0.78 O ATOM 0 H TYR A 11 -8.695 -7.698 -0.295 1.00 0.40 H new ATOM 0 HA TYR A 11 -6.741 -5.544 0.271 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -5.266 -7.218 1.198 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -6.807 -7.337 2.025 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -8.376 -9.197 1.470 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -4.429 -9.021 -0.135 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -8.516 -11.580 0.862 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -4.569 -11.406 -0.736 1.00 0.67 H new ATOM 0 HH TYR A 11 -5.781 -13.249 -0.717 1.00 0.78 H new ATOM 108 N VAL A 12 -5.141 -6.336 -1.572 1.00 0.34 N ATOM 109 CA VAL A 12 -4.428 -6.521 -2.832 1.00 0.34 C ATOM 110 C VAL A 12 -2.930 -6.373 -2.608 1.00 0.35 C ATOM 111 O VAL A 12 -2.493 -5.915 -1.552 1.00 0.51 O ATOM 112 CB VAL A 12 -4.894 -5.517 -3.897 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.737 -6.222 -4.954 1.00 0.81 C ATOM 114 CG2 VAL A 12 -5.664 -4.339 -3.291 1.00 0.52 C ATOM 0 H VAL A 12 -4.643 -5.763 -0.891 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.648 -7.525 -3.195 1.00 0.34 H new ATOM 0 HB VAL A 12 -4.001 -5.105 -4.367 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.061 -5.499 -5.703 1.00 0.81 H new ATOM 0 HG12 VAL A 12 -5.143 -7.000 -5.434 1.00 0.81 H new ATOM 0 HG13 VAL A 12 -6.611 -6.672 -4.482 1.00 0.81 H new ATOM 0 HG21 VAL A 12 -5.971 -3.658 -4.085 1.00 0.52 H new ATOM 0 HG22 VAL A 12 -6.546 -4.711 -2.770 1.00 0.52 H new ATOM 0 HG23 VAL A 12 -5.023 -3.809 -2.587 1.00 0.52 H new ATOM 124 N GLU A 13 -2.144 -6.771 -3.602 1.00 0.49 N ATOM 125 CA GLU A 13 -0.689 -6.688 -3.504 1.00 0.54 C ATOM 126 C GLU A 13 -0.104 -5.927 -4.687 1.00 0.50 C ATOM 127 O GLU A 13 -0.592 -6.036 -5.813 1.00 0.60 O ATOM 128 CB GLU A 13 -0.079 -8.090 -3.451 1.00 0.67 C ATOM 129 CG GLU A 13 -0.954 -9.068 -2.669 1.00 1.05 C ATOM 130 CD GLU A 13 -0.419 -10.487 -2.815 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.320 -10.748 -3.787 1.00 1.97 O ATOM 132 OE2 GLU A 13 -0.740 -11.334 -1.955 1.00 2.05 O ATOM 0 H GLU A 13 -2.487 -7.153 -4.483 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.447 -6.151 -2.587 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.062 -8.462 -4.466 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.907 -8.039 -2.990 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -0.975 -8.786 -1.616 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -1.980 -9.020 -3.033 1.00 1.05 H new ATOM 139 N ILE A 14 0.956 -5.171 -4.425 1.00 0.48 N ATOM 140 CA ILE A 14 1.629 -4.401 -5.464 1.00 0.49 C ATOM 141 C ILE A 14 3.104 -4.779 -5.509 1.00 0.48 C ATOM 142 O ILE A 14 3.760 -4.876 -4.473 1.00 0.43 O ATOM 143 CB ILE A 14 1.476 -2.907 -5.201 1.00 0.52 C ATOM 144 CG1 ILE A 14 2.149 -2.517 -3.888 1.00 0.51 C ATOM 145 CG2 ILE A 14 0.005 -2.506 -5.188 1.00 0.64 C ATOM 146 CD1 ILE A 14 2.117 -1.008 -3.666 1.00 0.63 C ATOM 0 H ILE A 14 1.369 -5.075 -3.497 1.00 0.48 H new ATOM 0 HA ILE A 14 1.172 -4.630 -6.427 1.00 0.49 H new ATOM 0 HB ILE A 14 1.969 -2.370 -6.012 1.00 0.52 H new ATOM 0 HG12 ILE A 14 1.648 -3.018 -3.059 1.00 0.51 H new ATOM 0 HG13 ILE A 14 3.183 -2.863 -3.892 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.079 -1.436 -4.999 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.444 -2.740 -6.153 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -0.515 -3.055 -4.403 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.605 -0.769 -2.721 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.640 -0.509 -4.482 1.00 0.63 H new ATOM 0 HD13 ILE A 14 1.082 -0.666 -3.636 1.00 0.63 H new ATOM 158 N ASN A 15 3.617 -5.008 -6.711 1.00 0.59 N ATOM 159 CA ASN A 15 5.012 -5.396 -6.885 1.00 0.62 C ATOM 160 C ASN A 15 5.942 -4.211 -6.652 1.00 0.60 C ATOM 161 O ASN A 15 5.706 -3.111 -7.151 1.00 0.78 O ATOM 162 CB ASN A 15 5.225 -5.964 -8.286 1.00 0.79 C ATOM 163 CG ASN A 15 4.091 -6.916 -8.654 1.00 1.31 C ATOM 164 OD1 ASN A 15 3.654 -6.960 -9.804 1.00 2.20 O ATOM 165 ND2 ASN A 15 3.610 -7.680 -7.675 1.00 1.54 N ATOM 0 H ASN A 15 3.089 -4.932 -7.580 1.00 0.59 H new ATOM 0 HA ASN A 15 5.248 -6.163 -6.148 1.00 0.62 H new ATOM 0 HB2 ASN A 15 5.275 -5.151 -9.011 1.00 0.79 H new ATOM 0 HB3 ASN A 15 6.179 -6.490 -8.331 1.00 0.79 H new ATOM 0 HD21 ASN A 15 2.850 -8.334 -7.865 1.00 1.54 H new ATOM 0 HD22 ASN A 15 4.001 -7.612 -6.736 1.00 1.54 H new ATOM 172 N ILE A 16 7.003 -4.452 -5.888 1.00 0.49 N ATOM 173 CA ILE A 16 7.983 -3.417 -5.577 1.00 0.49 C ATOM 174 C ILE A 16 9.396 -3.971 -5.714 1.00 0.56 C ATOM 175 O ILE A 16 9.602 -5.184 -5.660 1.00 0.66 O ATOM 176 CB ILE A 16 7.760 -2.902 -4.158 1.00 0.48 C ATOM 177 CG1 ILE A 16 6.351 -2.331 -4.012 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.804 -1.854 -3.789 1.00 0.58 C ATOM 179 CD1 ILE A 16 6.179 -1.048 -4.821 1.00 0.84 C ATOM 0 H ILE A 16 7.207 -5.360 -5.471 1.00 0.49 H new ATOM 0 HA ILE A 16 7.860 -2.593 -6.280 1.00 0.49 H new ATOM 0 HB ILE A 16 7.866 -3.742 -3.471 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.622 -3.071 -4.342 1.00 0.63 H new ATOM 0 HG13 ILE A 16 6.147 -2.129 -2.961 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.623 -1.503 -2.773 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.799 -2.295 -3.849 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.737 -1.014 -4.481 1.00 0.58 H new ATOM 0 HD11 ILE A 16 5.165 -0.670 -4.693 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.891 -0.300 -4.473 1.00 0.84 H new ATOM 0 HD13 ILE A 16 6.358 -1.256 -5.876 1.00 0.84 H new ATOM 191 N ASP A 17 10.366 -3.082 -5.894 1.00 0.63 N ATOM 192 CA ASP A 17 11.759 -3.493 -6.042 1.00 0.75 C ATOM 193 C ASP A 17 12.567 -3.137 -4.799 1.00 1.00 C ATOM 194 O ASP A 17 13.681 -2.622 -4.899 1.00 1.75 O ATOM 195 CB ASP A 17 12.372 -2.827 -7.270 1.00 1.27 C ATOM 196 CG ASP A 17 12.264 -3.745 -8.480 1.00 1.63 C ATOM 197 OD1 ASP A 17 12.952 -4.787 -8.502 1.00 2.16 O ATOM 198 OD2 ASP A 17 11.490 -3.421 -9.405 1.00 2.21 O ATOM 0 H ASP A 17 10.215 -2.074 -5.941 1.00 0.63 H new ATOM 0 HA ASP A 17 11.784 -4.575 -6.169 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.863 -1.885 -7.473 1.00 1.27 H new ATOM 0 HB3 ASP A 17 13.418 -2.589 -7.078 1.00 1.27 H new ATOM 203 N HIS A 18 12.001 -3.421 -3.629 1.00 1.27 N ATOM 204 CA HIS A 18 12.667 -3.140 -2.359 1.00 1.85 C ATOM 205 C HIS A 18 13.229 -1.722 -2.339 1.00 1.32 C ATOM 206 O HIS A 18 14.356 -1.500 -1.898 1.00 2.00 O ATOM 207 CB HIS A 18 13.793 -4.143 -2.129 1.00 2.83 C ATOM 208 CG HIS A 18 14.294 -4.146 -0.717 1.00 3.48 C ATOM 209 ND1 HIS A 18 15.499 -3.610 -0.345 1.00 4.01 N ATOM 210 CD2 HIS A 18 13.753 -4.623 0.435 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.696 -3.742 0.947 1.00 4.73 C ATOM 212 NE2 HIS A 18 14.644 -4.360 1.459 1.00 4.84 N ATOM 0 H HIS A 18 11.079 -3.847 -3.533 1.00 1.27 H new ATOM 0 HA HIS A 18 11.930 -3.230 -1.561 1.00 1.85 H new ATOM 0 HB2 HIS A 18 13.441 -5.142 -2.386 1.00 2.83 H new ATOM 0 HB3 HIS A 18 14.620 -3.914 -2.802 1.00 2.83 H new ATOM 0 HD2 HIS A 18 12.798 -5.119 0.533 1.00 4.16 H new ATOM 0 HE1 HIS A 18 16.564 -3.405 1.495 1.00 4.73 H new ATOM 0 HE2 HIS A 18 14.513 -4.601 2.441 1.00 4.84 H new ATOM 220 N LYS A 19 12.437 -0.766 -2.813 1.00 0.82 N ATOM 221 CA LYS A 19 12.859 0.630 -2.842 1.00 0.84 C ATOM 222 C LYS A 19 11.705 1.556 -2.468 1.00 0.77 C ATOM 223 O LYS A 19 11.720 2.743 -2.797 1.00 1.13 O ATOM 224 CB LYS A 19 13.385 0.989 -4.229 1.00 1.47 C ATOM 225 CG LYS A 19 12.406 0.585 -5.327 1.00 1.97 C ATOM 226 CD LYS A 19 12.843 1.117 -6.690 1.00 2.72 C ATOM 227 CE LYS A 19 11.724 1.013 -7.722 1.00 3.37 C ATOM 228 NZ LYS A 19 12.216 0.418 -8.997 1.00 4.03 N ATOM 0 H LYS A 19 11.501 -0.932 -3.182 1.00 0.82 H new ATOM 0 HA LYS A 19 13.656 0.761 -2.110 1.00 0.84 H new ATOM 0 HB2 LYS A 19 13.568 2.062 -4.282 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.342 0.494 -4.395 1.00 1.47 H new ATOM 0 HG2 LYS A 19 12.330 -0.502 -5.367 1.00 1.97 H new ATOM 0 HG3 LYS A 19 11.413 0.965 -5.088 1.00 1.97 H new ATOM 0 HD2 LYS A 19 13.152 2.158 -6.592 1.00 2.72 H new ATOM 0 HD3 LYS A 19 13.712 0.558 -7.037 1.00 2.72 H new ATOM 0 HE2 LYS A 19 10.914 0.403 -7.323 1.00 3.37 H new ATOM 0 HE3 LYS A 19 11.312 2.003 -7.916 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 11.405 0.157 -9.594 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 12.806 1.112 -9.499 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 12.780 -0.431 -8.789 1.00 4.03 H new ATOM 242 N PHE A 20 10.703 1.009 -1.783 1.00 0.63 N ATOM 243 CA PHE A 20 9.542 1.789 -1.369 1.00 0.61 C ATOM 244 C PHE A 20 9.151 1.477 0.069 1.00 0.62 C ATOM 245 O PHE A 20 8.812 2.380 0.835 1.00 0.95 O ATOM 246 CB PHE A 20 8.369 1.497 -2.294 1.00 0.62 C ATOM 247 CG PHE A 20 8.173 2.565 -3.333 1.00 0.75 C ATOM 248 CD1 PHE A 20 8.877 2.510 -4.521 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.290 3.605 -3.102 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.700 3.493 -5.480 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.111 4.588 -4.059 1.00 1.17 C ATOM 252 CZ PHE A 20 7.815 4.533 -5.248 1.00 1.19 C ATOM 0 H PHE A 20 10.673 0.028 -1.504 1.00 0.63 H new ATOM 0 HA PHE A 20 9.805 2.845 -1.429 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.531 0.539 -2.789 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.459 1.400 -1.702 1.00 0.62 H new ATOM 0 HD1 PHE A 20 9.567 1.699 -4.702 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.740 3.649 -2.174 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.251 3.449 -6.408 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.421 5.399 -3.877 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.675 5.300 -5.995 1.00 1.19 H new ATOM 262 N HIS A 21 9.189 0.196 0.432 1.00 0.53 N ATOM 263 CA HIS A 21 8.830 -0.237 1.784 1.00 0.57 C ATOM 264 C HIS A 21 9.407 0.705 2.832 1.00 0.69 C ATOM 265 O HIS A 21 8.690 1.184 3.710 1.00 1.03 O ATOM 266 CB HIS A 21 9.345 -1.649 2.033 1.00 0.54 C ATOM 267 CG HIS A 21 8.465 -2.702 1.443 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.047 -3.809 2.134 1.00 0.48 N ATOM 269 CD2 HIS A 21 7.901 -2.823 0.215 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.272 -4.561 1.390 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.162 -3.990 0.203 1.00 0.42 N ATOM 0 H HIS A 21 9.465 -0.562 -0.192 1.00 0.53 H new ATOM 0 HA HIS A 21 7.743 -0.223 1.865 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.347 -1.744 1.614 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.431 -1.815 3.107 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.304 -4.020 3.098 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.010 -2.131 -0.607 1.00 0.44 H new ATOM 0 HE1 HIS A 21 6.805 -5.486 1.694 1.00 0.45 H new ATOM 279 N ARG A 22 10.701 0.983 2.729 1.00 0.68 N ATOM 280 CA ARG A 22 11.356 1.885 3.665 1.00 0.80 C ATOM 281 C ARG A 22 11.160 3.323 3.203 1.00 0.81 C ATOM 282 O ARG A 22 12.121 4.059 2.975 1.00 0.92 O ATOM 283 CB ARG A 22 12.844 1.560 3.770 1.00 0.93 C ATOM 284 CG ARG A 22 13.145 0.694 4.991 1.00 1.64 C ATOM 285 CD ARG A 22 13.073 1.502 6.284 1.00 2.14 C ATOM 286 NE ARG A 22 13.394 0.658 7.430 1.00 2.73 N ATOM 287 CZ ARG A 22 12.720 -0.459 7.687 1.00 3.33 C ATOM 288 NH1 ARG A 22 11.467 -0.589 7.273 1.00 3.72 N ATOM 289 NH2 ARG A 22 13.297 -1.444 8.361 1.00 3.95 N ATOM 0 H ARG A 22 11.314 0.598 2.010 1.00 0.68 H new ATOM 0 HA ARG A 22 10.911 1.760 4.652 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.169 1.043 2.867 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.416 2.486 3.830 1.00 0.93 H new ATOM 0 HG2 ARG A 22 12.434 -0.131 5.037 1.00 1.64 H new ATOM 0 HG3 ARG A 22 14.137 0.255 4.891 1.00 1.64 H new ATOM 0 HD2 ARG A 22 13.768 2.340 6.236 1.00 2.14 H new ATOM 0 HD3 ARG A 22 12.074 1.922 6.402 1.00 2.14 H new ATOM 0 HE ARG A 22 14.156 0.932 8.051 1.00 2.73 H new ATOM 0 HH11 ARG A 22 11.019 0.168 6.757 1.00 3.72 H new ATOM 0 HH12 ARG A 22 10.951 -1.446 7.471 1.00 3.72 H new ATOM 0 HH21 ARG A 22 14.260 -1.346 8.683 1.00 3.95 H new ATOM 0 HH22 ARG A 22 12.778 -2.300 8.557 1.00 3.95 H new ATOM 303 N HIS A 23 9.899 3.702 3.066 1.00 0.90 N ATOM 304 CA HIS A 23 9.515 5.036 2.628 1.00 0.98 C ATOM 305 C HIS A 23 8.046 5.254 2.949 1.00 0.96 C ATOM 306 O HIS A 23 7.657 6.302 3.463 1.00 1.12 O ATOM 307 CB HIS A 23 9.756 5.193 1.128 1.00 1.02 C ATOM 308 CG HIS A 23 10.704 6.305 0.802 1.00 1.30 C ATOM 309 ND1 HIS A 23 10.523 7.595 1.230 1.00 1.83 N ATOM 310 CD2 HIS A 23 11.856 6.333 0.084 1.00 1.56 C ATOM 311 CE1 HIS A 23 11.494 8.371 0.808 1.00 2.07 C ATOM 312 NE2 HIS A 23 12.332 7.631 0.101 1.00 1.86 N ATOM 0 H HIS A 23 9.107 3.088 3.257 1.00 0.90 H new ATOM 0 HA HIS A 23 10.119 5.779 3.149 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.150 4.258 0.729 1.00 1.02 H new ATOM 0 HB3 HIS A 23 8.804 5.376 0.630 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.318 5.492 -0.412 1.00 1.56 H new ATOM 0 HE1 HIS A 23 11.592 9.429 1.004 1.00 2.07 H new ATOM 0 HE2 HIS A 23 13.183 7.961 -0.354 1.00 1.86 H new ATOM 320 N LEU A 24 7.239 4.238 2.661 1.00 0.86 N ATOM 321 CA LEU A 24 5.814 4.286 2.939 1.00 0.87 C ATOM 322 C LEU A 24 5.575 3.913 4.395 1.00 0.97 C ATOM 323 O LEU A 24 4.966 4.674 5.145 1.00 1.16 O ATOM 324 CB LEU A 24 5.073 3.320 2.021 1.00 0.73 C ATOM 325 CG LEU A 24 5.268 3.681 0.552 1.00 0.76 C ATOM 326 CD1 LEU A 24 5.892 2.515 -0.208 1.00 0.72 C ATOM 327 CD2 LEU A 24 3.946 4.097 -0.086 1.00 1.25 C ATOM 0 H LEU A 24 7.553 3.367 2.232 1.00 0.86 H new ATOM 0 HA LEU A 24 5.440 5.294 2.758 1.00 0.87 H new ATOM 0 HB2 LEU A 24 5.428 2.305 2.197 1.00 0.73 H new ATOM 0 HB3 LEU A 24 4.010 3.332 2.261 1.00 0.73 H new ATOM 0 HG LEU A 24 5.950 4.530 0.498 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.023 2.791 -1.254 1.00 0.72 H new ATOM 0 HD12 LEU A 24 6.861 2.274 0.228 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.238 1.646 -0.142 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.111 4.350 -1.133 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.235 3.274 -0.019 1.00 1.25 H new ATOM 0 HD23 LEU A 24 3.546 4.965 0.438 1.00 1.25 H new ATOM 339 N ILE A 25 6.099 2.739 4.777 1.00 0.92 N ATOM 340 CA ILE A 25 6.010 2.192 6.145 1.00 1.10 C ATOM 341 C ILE A 25 4.934 2.860 7.004 1.00 1.41 C ATOM 342 O ILE A 25 3.808 2.372 7.094 1.00 1.91 O ATOM 343 CB ILE A 25 7.366 2.307 6.846 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.163 3.513 6.345 1.00 0.90 C ATOM 345 CG2 ILE A 25 8.176 1.031 6.668 1.00 1.06 C ATOM 346 CD1 ILE A 25 8.872 4.225 7.487 1.00 0.91 C ATOM 0 H ILE A 25 6.606 2.130 4.135 1.00 0.92 H new ATOM 0 HA ILE A 25 5.722 1.146 6.035 1.00 1.10 H new ATOM 0 HB ILE A 25 7.169 2.454 7.908 1.00 0.94 H new ATOM 0 HG12 ILE A 25 8.896 3.185 5.608 1.00 0.90 H new ATOM 0 HG13 ILE A 25 7.493 4.209 5.841 1.00 0.90 H new ATOM 0 HG21 ILE A 25 9.136 1.136 7.174 1.00 1.06 H new ATOM 0 HG22 ILE A 25 7.630 0.191 7.096 1.00 1.06 H new ATOM 0 HG23 ILE A 25 8.344 0.852 5.606 1.00 1.06 H new ATOM 0 HD11 ILE A 25 9.428 5.076 7.095 1.00 0.91 H new ATOM 0 HD12 ILE A 25 8.136 4.575 8.211 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.561 3.535 7.974 1.00 0.91 H new ATOM 358 N GLY A 26 5.292 3.972 7.643 1.00 1.49 N ATOM 359 CA GLY A 26 4.364 4.698 8.503 1.00 1.87 C ATOM 360 C GLY A 26 5.109 5.404 9.630 1.00 1.82 C ATOM 361 O GLY A 26 6.336 5.338 9.709 1.00 2.29 O ATOM 0 H GLY A 26 6.221 4.389 7.580 1.00 1.49 H new ATOM 0 HA2 GLY A 26 3.811 5.429 7.913 1.00 1.87 H new ATOM 0 HA3 GLY A 26 3.633 4.007 8.922 1.00 1.87 H new ATOM 365 N LYS A 27 4.366 6.085 10.500 1.00 1.86 N ATOM 366 CA LYS A 27 4.963 6.810 11.621 1.00 1.91 C ATOM 367 C LYS A 27 6.111 7.686 11.133 1.00 1.62 C ATOM 368 O LYS A 27 7.054 7.964 11.873 1.00 2.38 O ATOM 369 CB LYS A 27 5.474 5.823 12.668 1.00 2.21 C ATOM 370 CG LYS A 27 5.070 6.241 14.079 1.00 2.65 C ATOM 371 CD LYS A 27 3.767 5.574 14.511 1.00 3.30 C ATOM 372 CE LYS A 27 2.600 6.555 14.489 1.00 3.80 C ATOM 373 NZ LYS A 27 1.301 5.848 14.317 1.00 4.51 N ATOM 0 H LYS A 27 3.349 6.150 10.451 1.00 1.86 H new ATOM 0 HA LYS A 27 4.201 7.446 12.071 1.00 1.91 H new ATOM 0 HB2 LYS A 27 5.079 4.829 12.455 1.00 2.21 H new ATOM 0 HB3 LYS A 27 6.560 5.755 12.605 1.00 2.21 H new ATOM 0 HG2 LYS A 27 5.864 5.978 14.778 1.00 2.65 H new ATOM 0 HG3 LYS A 27 4.956 7.324 14.120 1.00 2.65 H new ATOM 0 HD2 LYS A 27 3.550 4.735 13.850 1.00 3.30 H new ATOM 0 HD3 LYS A 27 3.882 5.167 15.515 1.00 3.30 H new ATOM 0 HE2 LYS A 27 2.585 7.126 15.417 1.00 3.80 H new ATOM 0 HE3 LYS A 27 2.738 7.269 13.677 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 0.527 6.542 14.306 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 1.308 5.323 13.419 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 1.160 5.185 15.105 1.00 4.51 H new ATOM 387 N SER A 28 6.017 8.115 9.875 1.00 1.28 N ATOM 388 CA SER A 28 7.036 8.963 9.246 1.00 1.60 C ATOM 389 C SER A 28 6.916 8.889 7.727 1.00 1.60 C ATOM 390 O SER A 28 7.296 9.821 7.020 1.00 2.28 O ATOM 391 CB SER A 28 8.441 8.530 9.664 1.00 1.99 C ATOM 392 OG SER A 28 8.963 9.420 10.641 1.00 2.57 O ATOM 0 H SER A 28 5.235 7.886 9.262 1.00 1.28 H new ATOM 0 HA SER A 28 6.871 9.988 9.577 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.412 7.517 10.064 1.00 1.99 H new ATOM 0 HB3 SER A 28 9.097 8.510 8.793 1.00 1.99 H new ATOM 0 HG SER A 28 8.512 9.267 11.497 1.00 2.57 H new ATOM 398 N GLY A 29 6.388 7.764 7.235 1.00 1.21 N ATOM 399 CA GLY A 29 6.208 7.534 5.800 1.00 1.23 C ATOM 400 C GLY A 29 5.815 8.808 5.053 1.00 1.36 C ATOM 401 O GLY A 29 6.170 8.987 3.888 1.00 2.05 O ATOM 0 H GLY A 29 6.074 6.989 7.820 1.00 1.21 H new ATOM 0 HA2 GLY A 29 7.133 7.139 5.379 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.440 6.776 5.649 1.00 1.23 H new ATOM 405 N ALA A 30 5.080 9.689 5.725 1.00 1.00 N ATOM 406 CA ALA A 30 4.643 10.942 5.117 1.00 1.10 C ATOM 407 C ALA A 30 3.868 10.673 3.830 1.00 1.06 C ATOM 408 O ALA A 30 3.766 11.541 2.963 1.00 1.43 O ATOM 409 CB ALA A 30 5.851 11.824 4.818 1.00 1.27 C ATOM 0 H ALA A 30 4.775 9.559 6.690 1.00 1.00 H new ATOM 0 HA ALA A 30 3.986 11.456 5.818 1.00 1.10 H new ATOM 0 HB1 ALA A 30 5.517 12.757 4.364 1.00 1.27 H new ATOM 0 HB2 ALA A 30 6.382 12.041 5.745 1.00 1.27 H new ATOM 0 HB3 ALA A 30 6.519 11.305 4.130 1.00 1.27 H new ATOM 415 N ASN A 31 3.326 9.465 3.713 1.00 0.73 N ATOM 416 CA ASN A 31 2.562 9.069 2.535 1.00 0.69 C ATOM 417 C ASN A 31 1.337 8.269 2.956 1.00 0.60 C ATOM 418 O ASN A 31 0.203 8.635 2.650 1.00 0.58 O ATOM 419 CB ASN A 31 3.419 8.225 1.581 1.00 0.71 C ATOM 420 CG ASN A 31 4.535 7.492 2.322 1.00 1.24 C ATOM 421 OD1 ASN A 31 4.358 7.056 3.459 1.00 1.91 O ATOM 422 ND2 ASN A 31 5.687 7.357 1.675 1.00 1.42 N ATOM 0 H ASN A 31 3.403 8.739 4.425 1.00 0.73 H new ATOM 0 HA ASN A 31 2.250 9.974 2.014 1.00 0.69 H new ATOM 0 HB2 ASN A 31 2.786 7.501 1.068 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.852 8.869 0.815 1.00 0.71 H new ATOM 0 HD21 ASN A 31 6.469 6.876 2.120 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.790 7.734 0.733 1.00 1.42 H new ATOM 429 N ILE A 32 1.584 7.172 3.658 1.00 0.58 N ATOM 430 CA ILE A 32 0.515 6.296 4.132 1.00 0.56 C ATOM 431 C ILE A 32 -0.614 7.097 4.775 1.00 0.52 C ATOM 432 O ILE A 32 -1.783 6.734 4.659 1.00 0.51 O ATOM 433 CB ILE A 32 1.064 5.279 5.136 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.487 5.960 6.439 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.226 4.488 4.541 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.734 6.819 6.255 1.00 1.07 C ATOM 0 H ILE A 32 2.522 6.864 3.915 1.00 0.58 H new ATOM 0 HA ILE A 32 0.112 5.768 3.268 1.00 0.56 H new ATOM 0 HB ILE A 32 0.260 4.579 5.365 1.00 0.63 H new ATOM 0 HG12 ILE A 32 0.670 6.581 6.806 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.677 5.202 7.199 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.595 3.774 5.277 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.886 3.952 3.655 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.029 5.172 4.265 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.999 7.284 7.205 1.00 1.07 H new ATOM 0 HD12 ILE A 32 3.559 6.194 5.914 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.536 7.594 5.515 1.00 1.07 H new ATOM 448 N ASN A 33 -0.262 8.179 5.460 1.00 0.56 N ATOM 449 CA ASN A 33 -1.252 9.017 6.127 1.00 0.59 C ATOM 450 C ASN A 33 -2.148 9.713 5.110 1.00 0.54 C ATOM 451 O ASN A 33 -3.369 9.744 5.265 1.00 0.55 O ATOM 452 CB ASN A 33 -0.557 10.054 7.003 1.00 0.71 C ATOM 453 CG ASN A 33 -1.172 10.062 8.396 1.00 0.97 C ATOM 454 OD1 ASN A 33 -1.499 9.011 8.948 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.333 11.251 8.967 1.00 1.62 N ATOM 0 H ASN A 33 0.701 8.497 5.568 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.874 8.377 6.753 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.508 9.830 7.069 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.648 11.042 6.552 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -1.742 11.318 9.899 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.048 12.097 8.473 1.00 1.62 H new ATOM 462 N ARG A 34 -1.537 10.272 4.073 1.00 0.55 N ATOM 463 CA ARG A 34 -2.283 10.970 3.033 1.00 0.56 C ATOM 464 C ARG A 34 -3.290 10.034 2.374 1.00 0.48 C ATOM 465 O ARG A 34 -4.467 10.366 2.247 1.00 0.48 O ATOM 466 CB ARG A 34 -1.323 11.523 1.985 1.00 0.65 C ATOM 467 CG ARG A 34 -1.348 13.049 1.950 1.00 0.89 C ATOM 468 CD ARG A 34 -0.945 13.588 0.580 1.00 1.22 C ATOM 469 NE ARG A 34 -0.049 14.731 0.727 1.00 1.69 N ATOM 470 CZ ARG A 34 -0.493 15.981 0.646 1.00 2.27 C ATOM 471 NH1 ARG A 34 -0.586 16.579 -0.534 1.00 2.78 N ATOM 472 NH2 ARG A 34 -0.845 16.634 1.745 1.00 2.90 N ATOM 0 H ARG A 34 -0.527 10.256 3.930 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.827 11.796 3.492 1.00 0.56 H new ATOM 0 HB2 ARG A 34 -0.311 11.180 2.201 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -1.590 11.131 1.003 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -2.348 13.403 2.201 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -0.672 13.442 2.709 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -0.453 12.804 0.004 1.00 1.22 H new ATOM 0 HD3 ARG A 34 -1.834 13.884 0.023 1.00 1.22 H new ATOM 0 HE ARG A 34 0.943 14.566 0.896 1.00 1.69 H new ATOM 0 HH11 ARG A 34 -0.317 16.080 -1.382 1.00 2.78 H new ATOM 0 HH12 ARG A 34 -0.927 17.538 -0.594 1.00 2.78 H new ATOM 0 HH21 ARG A 34 -0.775 16.177 2.654 1.00 2.90 H new ATOM 0 HH22 ARG A 34 -1.186 17.593 1.681 1.00 2.90 H new ATOM 486 N ILE A 35 -2.820 8.863 1.957 1.00 0.45 N ATOM 487 CA ILE A 35 -3.680 7.880 1.308 1.00 0.40 C ATOM 488 C ILE A 35 -4.644 7.258 2.312 1.00 0.34 C ATOM 489 O ILE A 35 -5.860 7.399 2.188 1.00 0.34 O ATOM 490 CB ILE A 35 -2.826 6.790 0.666 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.865 7.395 -0.354 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.703 5.727 0.012 1.00 0.40 C ATOM 493 CD1 ILE A 35 -2.607 8.202 -1.416 1.00 1.29 C ATOM 0 H ILE A 35 -1.848 8.571 2.057 1.00 0.45 H new ATOM 0 HA ILE A 35 -4.263 8.385 0.538 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.241 6.310 1.450 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.148 8.038 0.157 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.294 6.600 -0.833 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.072 4.961 -0.439 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.345 5.271 0.766 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.320 6.188 -0.759 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -1.890 8.617 -2.124 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -3.305 7.553 -1.945 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -3.157 9.013 -0.939 1.00 1.29 H new ATOM 505 N LYS A 36 -4.092 6.563 3.304 1.00 0.35 N ATOM 506 CA LYS A 36 -4.894 5.906 4.336 1.00 0.36 C ATOM 507 C LYS A 36 -6.040 6.801 4.804 1.00 0.39 C ATOM 508 O LYS A 36 -7.123 6.318 5.135 1.00 0.51 O ATOM 509 CB LYS A 36 -4.008 5.540 5.525 1.00 0.44 C ATOM 510 CG LYS A 36 -4.722 4.603 6.493 1.00 1.09 C ATOM 511 CD LYS A 36 -4.230 4.793 7.926 1.00 1.41 C ATOM 512 CE LYS A 36 -2.816 4.248 8.112 1.00 2.17 C ATOM 513 NZ LYS A 36 -2.820 2.998 8.924 1.00 2.76 N ATOM 0 H LYS A 36 -3.086 6.439 3.416 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.324 5.002 3.905 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.095 5.065 5.166 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.710 6.448 6.050 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -5.796 4.784 6.450 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -4.560 3.570 6.186 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.248 5.853 8.180 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -4.908 4.289 8.614 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -2.369 4.050 7.138 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -2.196 4.999 8.600 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -1.845 2.652 9.033 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -3.225 3.194 9.862 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -3.393 2.274 8.445 1.00 2.76 H new ATOM 527 N ASP A 37 -5.794 8.107 4.822 1.00 0.40 N ATOM 528 CA ASP A 37 -6.804 9.072 5.245 1.00 0.45 C ATOM 529 C ASP A 37 -7.686 9.470 4.068 1.00 0.44 C ATOM 530 O ASP A 37 -8.909 9.524 4.187 1.00 0.60 O ATOM 531 CB ASP A 37 -6.127 10.310 5.826 1.00 0.51 C ATOM 532 CG ASP A 37 -7.119 11.118 6.652 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.471 10.671 7.764 1.00 1.56 O ATOM 534 OD2 ASP A 37 -7.544 12.196 6.186 1.00 1.37 O ATOM 0 H ASP A 37 -4.903 8.522 4.548 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.429 8.610 6.010 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.283 10.013 6.448 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.728 10.926 5.020 1.00 0.51 H new ATOM 539 N GLN A 38 -7.055 9.743 2.932 1.00 0.41 N ATOM 540 CA GLN A 38 -7.774 10.134 1.725 1.00 0.46 C ATOM 541 C GLN A 38 -8.613 8.977 1.208 1.00 0.42 C ATOM 542 O GLN A 38 -9.840 9.053 1.160 1.00 0.68 O ATOM 543 CB GLN A 38 -6.782 10.563 0.649 1.00 0.54 C ATOM 544 CG GLN A 38 -7.473 11.245 -0.521 1.00 0.65 C ATOM 545 CD GLN A 38 -8.324 12.409 -0.030 1.00 1.05 C ATOM 546 OE1 GLN A 38 -7.861 13.548 0.028 1.00 1.65 O ATOM 547 NE2 GLN A 38 -9.572 12.125 0.321 1.00 1.66 N ATOM 0 H GLN A 38 -6.042 9.700 2.821 1.00 0.41 H new ATOM 0 HA GLN A 38 -8.433 10.968 1.968 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -6.048 11.242 1.082 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -6.236 9.690 0.290 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -6.729 11.605 -1.232 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -8.099 10.527 -1.051 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -9.914 11.166 0.257 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -10.189 12.865 0.655 1.00 1.66 H new ATOM 556 N TYR A 39 -7.934 7.905 0.816 1.00 0.34 N ATOM 557 CA TYR A 39 -8.602 6.721 0.289 1.00 0.34 C ATOM 558 C TYR A 39 -9.252 5.895 1.400 1.00 0.30 C ATOM 559 O TYR A 39 -9.874 4.869 1.127 1.00 0.32 O ATOM 560 CB TYR A 39 -7.600 5.862 -0.476 1.00 0.39 C ATOM 561 CG TYR A 39 -7.104 6.521 -1.740 1.00 0.46 C ATOM 562 CD1 TYR A 39 -6.194 7.562 -1.668 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.554 6.089 -2.974 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.738 8.168 -2.825 1.00 0.62 C ATOM 565 CE2 TYR A 39 -7.098 6.694 -4.132 1.00 0.73 C ATOM 566 CZ TYR A 39 -6.192 7.731 -4.052 1.00 0.66 C ATOM 567 OH TYR A 39 -5.737 8.333 -5.203 1.00 0.77 O ATOM 0 H TYR A 39 -6.917 7.832 0.854 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.393 7.055 -0.383 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.750 5.642 0.170 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.064 4.909 -0.728 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.839 7.902 -0.706 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.263 5.277 -3.034 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -5.029 8.981 -2.768 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -7.450 6.355 -5.095 1.00 0.73 H new ATOM 0 HH TYR A 39 -6.153 7.907 -5.981 1.00 0.77 H new ATOM 577 N LYS A 40 -9.111 6.335 2.654 1.00 0.28 N ATOM 578 CA LYS A 40 -9.695 5.616 3.785 1.00 0.31 C ATOM 579 C LYS A 40 -9.356 4.133 3.705 1.00 0.29 C ATOM 580 O LYS A 40 -10.221 3.274 3.878 1.00 0.39 O ATOM 581 CB LYS A 40 -11.210 5.804 3.795 1.00 0.38 C ATOM 582 CG LYS A 40 -11.591 7.268 3.993 1.00 0.86 C ATOM 583 CD LYS A 40 -13.087 7.430 4.244 1.00 1.29 C ATOM 584 CE LYS A 40 -13.764 8.203 3.114 1.00 1.88 C ATOM 585 NZ LYS A 40 -13.786 7.410 1.854 1.00 2.56 N ATOM 0 H LYS A 40 -8.600 7.181 2.908 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.278 6.020 4.708 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.629 5.442 2.856 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.647 5.202 4.592 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.034 7.679 4.835 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.305 7.841 3.111 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.549 6.448 4.342 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.244 7.952 5.188 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -14.783 8.457 3.404 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -13.237 9.142 2.946 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.252 7.961 1.105 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -12.811 7.189 1.566 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.310 6.525 2.010 1.00 2.56 H new ATOM 599 N VAL A 41 -8.090 3.844 3.431 1.00 0.23 N ATOM 600 CA VAL A 41 -7.617 2.470 3.312 1.00 0.23 C ATOM 601 C VAL A 41 -6.611 2.156 4.415 1.00 0.27 C ATOM 602 O VAL A 41 -6.451 2.937 5.350 1.00 0.33 O ATOM 603 CB VAL A 41 -6.980 2.284 1.937 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.054 2.228 0.854 1.00 0.25 C ATOM 605 CG2 VAL A 41 -5.989 3.409 1.651 1.00 0.23 C ATOM 0 H VAL A 41 -7.367 4.549 3.286 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.457 1.784 3.419 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.438 1.338 1.933 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.582 2.095 -0.120 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.725 1.391 1.050 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.623 3.158 0.858 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.544 3.261 0.667 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.509 4.367 1.674 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.205 3.404 2.408 1.00 0.23 H new ATOM 615 N SER A 42 -5.938 1.011 4.309 1.00 0.29 N ATOM 616 CA SER A 42 -4.953 0.608 5.306 1.00 0.34 C ATOM 617 C SER A 42 -3.693 0.082 4.628 1.00 0.30 C ATOM 618 O SER A 42 -3.711 -0.980 4.003 1.00 0.36 O ATOM 619 CB SER A 42 -5.541 -0.465 6.214 1.00 0.43 C ATOM 620 OG SER A 42 -5.793 0.066 7.508 1.00 0.93 O ATOM 0 H SER A 42 -6.058 0.348 3.543 1.00 0.29 H new ATOM 0 HA SER A 42 -4.688 1.479 5.906 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.467 -0.847 5.784 1.00 0.43 H new ATOM 0 HB3 SER A 42 -4.852 -1.307 6.287 1.00 0.43 H new ATOM 0 HG SER A 42 -6.172 -0.633 8.080 1.00 0.93 H new ATOM 626 N VAL A 43 -2.603 0.832 4.753 1.00 0.33 N ATOM 627 CA VAL A 43 -1.330 0.445 4.153 1.00 0.34 C ATOM 628 C VAL A 43 -0.666 -0.653 4.975 1.00 0.35 C ATOM 629 O VAL A 43 -0.819 -0.706 6.194 1.00 0.55 O ATOM 630 CB VAL A 43 -0.402 1.655 4.070 1.00 0.49 C ATOM 631 CG1 VAL A 43 -0.093 2.193 5.464 1.00 1.25 C ATOM 632 CG2 VAL A 43 0.885 1.298 3.332 1.00 0.54 C ATOM 0 H VAL A 43 -2.575 1.713 5.266 1.00 0.33 H new ATOM 0 HA VAL A 43 -1.522 0.067 3.149 1.00 0.34 H new ATOM 0 HB VAL A 43 -0.911 2.438 3.507 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.570 3.055 5.383 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -1.020 2.493 5.952 1.00 1.25 H new ATOM 0 HG13 VAL A 43 0.393 1.416 6.054 1.00 1.25 H new ATOM 0 HG21 VAL A 43 1.532 2.174 3.284 1.00 0.54 H new ATOM 0 HG22 VAL A 43 1.398 0.496 3.863 1.00 0.54 H new ATOM 0 HG23 VAL A 43 0.645 0.968 2.321 1.00 0.54 H new ATOM 642 N ARG A 44 0.074 -1.528 4.300 1.00 0.31 N ATOM 643 CA ARG A 44 0.762 -2.623 4.973 1.00 0.42 C ATOM 644 C ARG A 44 2.081 -2.934 4.275 1.00 0.40 C ATOM 645 O ARG A 44 2.094 -3.453 3.161 1.00 0.41 O ATOM 646 CB ARG A 44 -0.124 -3.865 4.982 1.00 0.52 C ATOM 647 CG ARG A 44 -1.414 -3.634 5.763 1.00 0.78 C ATOM 648 CD ARG A 44 -1.155 -3.542 7.263 1.00 1.05 C ATOM 649 NE ARG A 44 -1.823 -4.633 7.961 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.416 -4.453 9.137 1.00 1.74 C ATOM 651 NH1 ARG A 44 -1.730 -3.953 10.157 1.00 2.27 N ATOM 652 NH2 ARG A 44 -3.693 -4.770 9.296 1.00 2.28 N ATOM 0 H ARG A 44 0.212 -1.500 3.290 1.00 0.31 H new ATOM 0 HA ARG A 44 0.973 -2.323 6.000 1.00 0.42 H new ATOM 0 HB2 ARG A 44 -0.365 -4.147 3.957 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.423 -4.699 5.422 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.889 -2.715 5.418 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -2.111 -4.448 5.563 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -0.083 -3.580 7.457 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.514 -2.585 7.643 1.00 1.05 H new ATOM 0 HE ARG A 44 -1.836 -5.560 7.536 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -0.747 -3.707 10.039 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -2.185 -3.815 11.059 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -4.224 -5.154 8.514 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -4.144 -4.630 10.200 1.00 2.28 H new ATOM 666 N ILE A 45 3.188 -2.617 4.942 1.00 0.46 N ATOM 667 CA ILE A 45 4.520 -2.863 4.394 1.00 0.47 C ATOM 668 C ILE A 45 5.112 -4.139 5.002 1.00 0.53 C ATOM 669 O ILE A 45 5.606 -4.124 6.130 1.00 0.64 O ATOM 670 CB ILE A 45 5.429 -1.660 4.686 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.989 -0.437 3.880 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.896 -1.979 4.406 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.286 -0.590 2.385 1.00 0.56 C ATOM 0 H ILE A 45 3.189 -2.187 5.867 1.00 0.46 H new ATOM 0 HA ILE A 45 4.445 -2.996 3.315 1.00 0.47 H new ATOM 0 HB ILE A 45 5.333 -1.433 5.748 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.920 -0.276 4.021 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.498 0.449 4.261 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.507 -1.103 4.625 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.214 -2.810 5.036 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.015 -2.252 3.358 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.956 0.303 1.855 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.358 -0.723 2.239 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.756 -1.459 1.996 1.00 0.56 H new ATOM 685 N PRO A 46 5.074 -5.262 4.260 1.00 0.48 N ATOM 686 CA PRO A 46 5.615 -6.538 4.741 1.00 0.58 C ATOM 687 C PRO A 46 7.142 -6.576 4.671 1.00 0.61 C ATOM 688 O PRO A 46 7.719 -6.598 3.584 1.00 0.56 O ATOM 689 CB PRO A 46 4.998 -7.565 3.796 1.00 0.57 C ATOM 690 CG PRO A 46 4.691 -6.822 2.540 1.00 0.47 C ATOM 691 CD PRO A 46 4.508 -5.374 2.907 1.00 0.41 C ATOM 0 HA PRO A 46 5.377 -6.719 5.789 1.00 0.58 H new ATOM 0 HB2 PRO A 46 5.688 -8.387 3.606 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.095 -7.999 4.225 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.501 -6.936 1.819 1.00 0.47 H new ATOM 0 HG3 PRO A 46 3.789 -7.216 2.072 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.024 -4.719 2.205 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.456 -5.091 2.892 1.00 0.41 H new ATOM 699 N PRO A 47 7.820 -6.586 5.833 1.00 0.74 N ATOM 700 CA PRO A 47 9.286 -6.623 5.881 1.00 0.81 C ATOM 701 C PRO A 47 9.833 -8.000 5.519 1.00 0.87 C ATOM 702 O PRO A 47 9.072 -8.921 5.223 1.00 1.53 O ATOM 703 CB PRO A 47 9.609 -6.260 7.328 1.00 0.98 C ATOM 704 CG PRO A 47 8.398 -6.646 8.112 1.00 1.03 C ATOM 705 CD PRO A 47 7.218 -6.562 7.178 1.00 0.85 C ATOM 0 HA PRO A 47 9.742 -5.943 5.161 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.492 -6.794 7.680 1.00 0.98 H new ATOM 0 HB3 PRO A 47 9.820 -5.195 7.429 1.00 0.98 H new ATOM 0 HG2 PRO A 47 8.503 -7.655 8.510 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.263 -5.980 8.964 1.00 1.03 H new ATOM 0 HD2 PRO A 47 6.534 -7.398 7.323 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.645 -5.650 7.342 1.00 0.85 H new ATOM 713 N ASP A 48 11.154 -8.134 5.544 1.00 1.32 N ATOM 714 CA ASP A 48 11.799 -9.400 5.217 1.00 1.46 C ATOM 715 C ASP A 48 11.587 -9.741 3.748 1.00 1.48 C ATOM 716 O ASP A 48 10.466 -10.011 3.318 1.00 2.18 O ATOM 717 CB ASP A 48 11.231 -10.511 6.094 1.00 2.16 C ATOM 718 CG ASP A 48 9.764 -10.244 6.408 1.00 2.56 C ATOM 719 OD1 ASP A 48 9.147 -9.416 5.707 1.00 3.03 O ATOM 720 OD2 ASP A 48 9.236 -10.865 7.354 1.00 3.01 O ATOM 0 H ASP A 48 11.799 -7.382 5.787 1.00 1.32 H new ATOM 0 HA ASP A 48 12.869 -9.306 5.402 1.00 1.46 H new ATOM 0 HB2 ASP A 48 11.332 -11.471 5.587 1.00 2.16 H new ATOM 0 HB3 ASP A 48 11.801 -10.579 7.021 1.00 2.16 H new ATOM 725 N SER A 49 12.672 -9.727 2.979 1.00 1.59 N ATOM 726 CA SER A 49 12.607 -10.033 1.555 1.00 2.11 C ATOM 727 C SER A 49 13.943 -10.580 1.065 1.00 1.90 C ATOM 728 O SER A 49 14.963 -10.440 1.739 1.00 2.33 O ATOM 729 CB SER A 49 12.235 -8.780 0.768 1.00 3.03 C ATOM 730 OG SER A 49 13.376 -7.957 0.575 1.00 3.81 O ATOM 0 H SER A 49 13.608 -9.507 3.320 1.00 1.59 H new ATOM 0 HA SER A 49 11.842 -10.793 1.397 1.00 2.11 H new ATOM 0 HB2 SER A 49 11.815 -9.061 -0.198 1.00 3.03 H new ATOM 0 HB3 SER A 49 11.464 -8.224 1.301 1.00 3.03 H new ATOM 0 HG SER A 49 13.161 -7.244 -0.063 1.00 3.81 H new ATOM 736 N GLU A 50 13.929 -11.202 -0.109 1.00 1.92 N ATOM 737 CA GLU A 50 15.142 -11.770 -0.689 1.00 2.27 C ATOM 738 C GLU A 50 15.538 -11.015 -1.951 1.00 2.09 C ATOM 739 O GLU A 50 16.722 -10.862 -2.249 1.00 2.74 O ATOM 740 CB GLU A 50 14.919 -13.244 -1.018 1.00 3.06 C ATOM 741 CG GLU A 50 13.897 -13.422 -2.137 1.00 3.83 C ATOM 742 CD GLU A 50 13.672 -14.901 -2.421 1.00 4.43 C ATOM 743 OE1 GLU A 50 14.658 -15.668 -2.403 1.00 4.97 O ATOM 744 OE2 GLU A 50 12.510 -15.291 -2.662 1.00 4.75 O ATOM 0 H GLU A 50 13.092 -11.326 -0.678 1.00 1.92 H new ATOM 0 HA GLU A 50 15.949 -11.679 0.038 1.00 2.27 H new ATOM 0 HB2 GLU A 50 15.865 -13.699 -1.313 1.00 3.06 H new ATOM 0 HB3 GLU A 50 14.577 -13.769 -0.126 1.00 3.06 H new ATOM 0 HG2 GLU A 50 12.955 -12.952 -1.856 1.00 3.83 H new ATOM 0 HG3 GLU A 50 14.246 -12.921 -3.040 1.00 3.83 H new ATOM 751 N LYS A 51 14.539 -10.548 -2.692 1.00 1.76 N ATOM 752 CA LYS A 51 14.778 -9.811 -3.927 1.00 1.77 C ATOM 753 C LYS A 51 13.510 -9.097 -4.376 1.00 1.55 C ATOM 754 O LYS A 51 13.482 -7.872 -4.489 1.00 2.20 O ATOM 755 CB LYS A 51 15.249 -10.769 -5.017 1.00 2.14 C ATOM 756 CG LYS A 51 15.821 -10.021 -6.218 1.00 2.60 C ATOM 757 CD LYS A 51 15.529 -10.753 -7.525 1.00 3.36 C ATOM 758 CE LYS A 51 16.691 -11.651 -7.939 1.00 4.12 C ATOM 759 NZ LYS A 51 17.032 -11.466 -9.377 1.00 4.81 N ATOM 0 H LYS A 51 13.553 -10.667 -2.458 1.00 1.76 H new ATOM 0 HA LYS A 51 15.551 -9.064 -3.745 1.00 1.77 H new ATOM 0 HB2 LYS A 51 16.007 -11.438 -4.610 1.00 2.14 H new ATOM 0 HB3 LYS A 51 14.414 -11.391 -5.340 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.396 -9.018 -6.259 1.00 2.60 H new ATOM 0 HG3 LYS A 51 16.898 -9.906 -6.097 1.00 2.60 H new ATOM 0 HD2 LYS A 51 14.627 -11.354 -7.412 1.00 3.36 H new ATOM 0 HD3 LYS A 51 15.332 -10.026 -8.313 1.00 3.36 H new ATOM 0 HE2 LYS A 51 17.563 -11.427 -7.325 1.00 4.12 H new ATOM 0 HE3 LYS A 51 16.431 -12.694 -7.756 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 17.825 -12.090 -9.629 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 16.206 -11.703 -9.963 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 17.303 -10.476 -9.545 1.00 4.81 H new ATOM 773 N SER A 52 12.460 -9.873 -4.630 1.00 1.19 N ATOM 774 CA SER A 52 11.184 -9.315 -5.065 1.00 1.04 C ATOM 775 C SER A 52 10.330 -8.940 -3.862 1.00 0.92 C ATOM 776 O SER A 52 10.030 -9.782 -3.016 1.00 1.19 O ATOM 777 CB SER A 52 10.441 -10.325 -5.934 1.00 1.25 C ATOM 778 OG SER A 52 9.049 -10.053 -5.935 1.00 2.03 O ATOM 0 H SER A 52 12.468 -10.889 -4.542 1.00 1.19 H new ATOM 0 HA SER A 52 11.379 -8.416 -5.649 1.00 1.04 H new ATOM 0 HB2 SER A 52 10.825 -10.288 -6.953 1.00 1.25 H new ATOM 0 HB3 SER A 52 10.620 -11.334 -5.562 1.00 1.25 H new ATOM 0 HG SER A 52 8.588 -10.709 -6.498 1.00 2.03 H new ATOM 784 N ASN A 53 9.939 -7.673 -3.792 1.00 0.68 N ATOM 785 CA ASN A 53 9.118 -7.185 -2.692 1.00 0.61 C ATOM 786 C ASN A 53 7.682 -6.975 -3.153 1.00 0.59 C ATOM 787 O ASN A 53 7.433 -6.641 -4.310 1.00 0.99 O ATOM 788 CB ASN A 53 9.689 -5.876 -2.156 1.00 0.60 C ATOM 789 CG ASN A 53 9.347 -5.717 -0.681 1.00 0.89 C ATOM 790 OD1 ASN A 53 8.451 -6.387 -0.166 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.061 -4.829 0.001 1.00 1.28 N ATOM 0 H ASN A 53 10.178 -6.964 -4.486 1.00 0.68 H new ATOM 0 HA ASN A 53 9.124 -7.930 -1.896 1.00 0.61 H new ATOM 0 HB2 ASN A 53 10.771 -5.861 -2.289 1.00 0.60 H new ATOM 0 HB3 ASN A 53 9.286 -5.036 -2.723 1.00 0.60 H new ATOM 0 HD21 ASN A 53 9.876 -4.680 0.993 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.794 -4.296 -0.467 1.00 1.28 H new ATOM 798 N LEU A 54 6.739 -7.178 -2.239 1.00 0.55 N ATOM 799 CA LEU A 54 5.324 -7.015 -2.551 1.00 0.51 C ATOM 800 C LEU A 54 4.580 -6.398 -1.374 1.00 0.44 C ATOM 801 O LEU A 54 4.386 -7.041 -0.343 1.00 0.57 O ATOM 802 CB LEU A 54 4.710 -8.369 -2.897 1.00 0.65 C ATOM 803 CG LEU A 54 4.471 -8.511 -4.398 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.633 -9.242 -5.063 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.154 -9.234 -4.669 1.00 1.49 C ATOM 0 H LEU A 54 6.929 -7.456 -1.276 1.00 0.55 H new ATOM 0 HA LEU A 54 5.234 -6.346 -3.407 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.370 -9.166 -2.556 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.766 -8.488 -2.365 1.00 0.65 H new ATOM 0 HG LEU A 54 4.406 -7.511 -4.828 1.00 0.82 H new ATOM 0 HD11 LEU A 54 5.442 -9.332 -6.132 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.554 -8.681 -4.905 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.735 -10.236 -4.627 1.00 1.49 H new ATOM 0 HD21 LEU A 54 3.003 -9.324 -5.745 1.00 1.49 H new ATOM 0 HD22 LEU A 54 3.186 -10.228 -4.222 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.331 -8.667 -4.234 1.00 1.49 H new ATOM 817 N ILE A 55 4.159 -5.146 -1.536 1.00 0.31 N ATOM 818 CA ILE A 55 3.427 -4.443 -0.487 1.00 0.26 C ATOM 819 C ILE A 55 1.969 -4.878 -0.487 1.00 0.27 C ATOM 820 O ILE A 55 1.432 -5.286 -1.517 1.00 0.34 O ATOM 821 CB ILE A 55 3.529 -2.932 -0.697 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.980 -2.475 -0.590 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.660 -2.174 0.302 1.00 0.31 C ATOM 824 CD1 ILE A 55 5.127 -0.992 -0.917 1.00 0.35 C ATOM 0 H ILE A 55 4.312 -4.598 -2.383 1.00 0.31 H new ATOM 0 HA ILE A 55 3.867 -4.692 0.479 1.00 0.26 H new ATOM 0 HB ILE A 55 3.163 -2.709 -1.699 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.348 -2.664 0.418 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.598 -3.061 -1.270 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.754 -1.102 0.127 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.619 -2.472 0.178 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.985 -2.406 1.316 1.00 0.31 H new ATOM 0 HD11 ILE A 55 6.174 -0.702 -0.830 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.783 -0.808 -1.935 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.529 -0.405 -0.220 1.00 0.35 H new ATOM 836 N ARG A 56 1.333 -4.794 0.676 1.00 0.29 N ATOM 837 CA ARG A 56 -0.062 -5.183 0.808 1.00 0.32 C ATOM 838 C ARG A 56 -0.936 -3.974 1.113 1.00 0.29 C ATOM 839 O ARG A 56 -0.570 -3.114 1.915 1.00 0.42 O ATOM 840 CB ARG A 56 -0.218 -6.222 1.920 1.00 0.42 C ATOM 841 CG ARG A 56 0.963 -7.194 1.980 1.00 0.55 C ATOM 842 CD ARG A 56 1.340 -7.724 0.600 1.00 0.84 C ATOM 843 NE ARG A 56 1.237 -9.178 0.569 1.00 1.44 N ATOM 844 CZ ARG A 56 1.819 -9.940 1.490 1.00 1.77 C ATOM 845 NH1 ARG A 56 3.125 -9.847 1.700 1.00 2.19 N ATOM 846 NH2 ARG A 56 1.095 -10.790 2.205 1.00 2.33 N ATOM 0 H ARG A 56 1.762 -4.460 1.539 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.383 -5.616 -0.139 1.00 0.32 H new ATOM 0 HB2 ARG A 56 -0.315 -5.712 2.879 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.139 -6.783 1.763 1.00 0.42 H new ATOM 0 HG2 ARG A 56 1.823 -6.692 2.423 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.711 -8.030 2.633 1.00 0.55 H new ATOM 0 HD2 ARG A 56 0.684 -7.290 -0.155 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.357 -7.420 0.352 1.00 0.84 H new ATOM 0 HE ARG A 56 0.704 -9.622 -0.179 1.00 1.44 H new ATOM 0 HH11 ARG A 56 3.684 -9.191 1.155 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.571 -10.432 2.407 1.00 2.19 H new ATOM 0 HH21 ARG A 56 0.089 -10.860 2.049 1.00 2.33 H new ATOM 0 HH22 ARG A 56 1.544 -11.374 2.911 1.00 2.33 H new ATOM 860 N ILE A 57 -2.097 -3.924 0.472 1.00 0.24 N ATOM 861 CA ILE A 57 -3.044 -2.834 0.667 1.00 0.24 C ATOM 862 C ILE A 57 -4.442 -3.400 0.865 1.00 0.26 C ATOM 863 O ILE A 57 -4.859 -4.298 0.134 1.00 0.40 O ATOM 864 CB ILE A 57 -3.030 -1.904 -0.542 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.601 -1.484 -0.882 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.905 -0.680 -0.296 1.00 0.35 C ATOM 867 CD1 ILE A 57 -0.992 -0.618 0.216 1.00 1.32 C ATOM 0 H ILE A 57 -2.407 -4.633 -0.193 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.755 -2.267 1.552 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.440 -2.448 -1.393 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -0.986 -2.372 -1.029 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.597 -0.934 -1.823 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.879 -0.032 -1.172 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.931 -0.998 -0.110 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.532 -0.134 0.570 1.00 0.35 H new ATOM 0 HD11 ILE A 57 0.024 -0.339 -0.062 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.593 0.282 0.345 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -0.972 -1.177 1.151 1.00 1.32 H new ATOM 879 N GLU A 58 -5.167 -2.887 1.852 1.00 0.23 N ATOM 880 CA GLU A 58 -6.513 -3.373 2.122 1.00 0.25 C ATOM 881 C GLU A 58 -7.386 -2.281 2.717 1.00 0.24 C ATOM 882 O GLU A 58 -6.928 -1.458 3.509 1.00 0.26 O ATOM 883 CB GLU A 58 -6.457 -4.565 3.072 1.00 0.32 C ATOM 884 CG GLU A 58 -7.842 -5.159 3.308 1.00 0.37 C ATOM 885 CD GLU A 58 -7.881 -5.904 4.636 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.960 -5.238 5.690 1.00 1.56 O ATOM 887 OE2 GLU A 58 -7.833 -7.151 4.620 1.00 1.47 O ATOM 0 H GLU A 58 -4.849 -2.142 2.472 1.00 0.23 H new ATOM 0 HA GLU A 58 -6.955 -3.683 1.175 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -5.798 -5.329 2.660 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.027 -4.253 4.024 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.590 -4.366 3.307 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.097 -5.839 2.495 1.00 0.37 H new ATOM 894 N GLY A 59 -8.655 -2.289 2.325 1.00 0.25 N ATOM 895 CA GLY A 59 -9.622 -1.315 2.805 1.00 0.27 C ATOM 896 C GLY A 59 -11.031 -1.861 2.641 1.00 0.39 C ATOM 897 O GLY A 59 -11.375 -2.893 3.219 1.00 0.59 O ATOM 0 H GLY A 59 -9.039 -2.969 1.668 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.431 -1.086 3.853 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.517 -0.382 2.251 1.00 0.27 H new ATOM 901 N ASP A 60 -11.840 -1.182 1.839 1.00 0.53 N ATOM 902 CA ASP A 60 -13.206 -1.627 1.601 1.00 0.70 C ATOM 903 C ASP A 60 -13.786 -0.975 0.353 1.00 0.59 C ATOM 904 O ASP A 60 -14.068 -1.654 -0.634 1.00 1.04 O ATOM 905 CB ASP A 60 -14.081 -1.319 2.813 1.00 1.22 C ATOM 906 CG ASP A 60 -14.402 -2.599 3.571 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.836 -3.578 2.928 1.00 2.66 O ATOM 908 OD2 ASP A 60 -14.220 -2.621 4.805 1.00 2.31 O ATOM 0 H ASP A 60 -11.577 -0.328 1.346 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.187 -2.705 1.442 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.569 -0.617 3.471 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.004 -0.838 2.491 1.00 1.22 H new ATOM 913 N PRO A 61 -13.974 0.354 0.373 1.00 0.72 N ATOM 914 CA PRO A 61 -14.526 1.076 -0.777 1.00 1.14 C ATOM 915 C PRO A 61 -13.533 1.147 -1.929 1.00 0.88 C ATOM 916 O PRO A 61 -12.422 0.625 -1.835 1.00 1.22 O ATOM 917 CB PRO A 61 -14.836 2.462 -0.217 1.00 1.82 C ATOM 918 CG PRO A 61 -13.916 2.627 0.944 1.00 1.82 C ATOM 919 CD PRO A 61 -13.665 1.251 1.501 1.00 1.17 C ATOM 0 HA PRO A 61 -15.404 0.585 -1.197 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.668 3.236 -0.966 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -15.878 2.538 0.092 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -12.982 3.094 0.633 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.360 3.275 1.700 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.633 1.136 1.833 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.301 1.045 2.362 1.00 1.17 H new ATOM 927 N GLN A 62 -13.936 1.798 -3.014 1.00 0.64 N ATOM 928 CA GLN A 62 -13.079 1.940 -4.184 1.00 0.47 C ATOM 929 C GLN A 62 -11.712 2.488 -3.787 1.00 0.41 C ATOM 930 O GLN A 62 -10.729 2.296 -4.496 1.00 0.47 O ATOM 931 CB GLN A 62 -13.736 2.871 -5.200 1.00 0.69 C ATOM 932 CG GLN A 62 -14.219 2.109 -6.430 1.00 0.85 C ATOM 933 CD GLN A 62 -14.979 3.042 -7.365 1.00 1.34 C ATOM 934 OE1 GLN A 62 -15.641 3.980 -6.919 1.00 2.14 O ATOM 935 NE2 GLN A 62 -14.883 2.788 -8.665 1.00 1.73 N ATOM 0 H GLN A 62 -14.852 2.236 -3.107 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.941 0.956 -4.633 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.578 3.382 -4.734 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.025 3.639 -5.503 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -13.368 1.673 -6.953 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -14.863 1.284 -6.126 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -14.323 2.000 -8.991 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -15.369 3.381 -9.338 1.00 1.73 H new ATOM 944 N GLY A 63 -11.659 3.182 -2.655 1.00 0.37 N ATOM 945 CA GLY A 63 -10.415 3.767 -2.169 1.00 0.34 C ATOM 946 C GLY A 63 -9.286 2.741 -2.107 1.00 0.27 C ATOM 947 O GLY A 63 -8.125 3.080 -2.339 1.00 0.29 O ATOM 0 H GLY A 63 -12.466 3.353 -2.055 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.122 4.589 -2.822 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.576 4.189 -1.177 1.00 0.34 H new ATOM 951 N VAL A 64 -9.616 1.494 -1.775 1.00 0.24 N ATOM 952 CA VAL A 64 -8.599 0.450 -1.671 1.00 0.21 C ATOM 953 C VAL A 64 -8.093 0.020 -3.048 1.00 0.24 C ATOM 954 O VAL A 64 -6.885 -0.025 -3.281 1.00 0.28 O ATOM 955 CB VAL A 64 -9.130 -0.755 -0.874 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.974 -1.699 -1.728 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.964 -1.510 -0.247 1.00 0.26 C ATOM 0 H VAL A 64 -10.567 1.185 -1.576 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.751 0.868 -1.129 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.784 -0.367 -0.093 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.322 -2.531 -1.115 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.832 -1.159 -2.128 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.371 -2.082 -2.551 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.343 -2.362 0.317 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.295 -1.863 -1.032 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.419 -0.846 0.423 1.00 0.26 H new ATOM 967 N GLN A 65 -9.009 -0.297 -3.958 1.00 0.25 N ATOM 968 CA GLN A 65 -8.624 -0.722 -5.300 1.00 0.30 C ATOM 969 C GLN A 65 -8.005 0.439 -6.070 1.00 0.30 C ATOM 970 O GLN A 65 -7.145 0.240 -6.928 1.00 0.34 O ATOM 971 CB GLN A 65 -9.835 -1.280 -6.049 1.00 0.37 C ATOM 972 CG GLN A 65 -10.825 -0.187 -6.442 1.00 0.42 C ATOM 973 CD GLN A 65 -10.885 -0.051 -7.959 1.00 0.78 C ATOM 974 OE1 GLN A 65 -9.908 0.340 -8.597 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.036 -0.376 -8.535 1.00 0.82 N ATOM 0 H GLN A 65 -10.015 -0.268 -3.793 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.878 -1.512 -5.214 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.497 -1.801 -6.945 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.339 -2.016 -5.423 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.814 -0.425 -6.052 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.526 0.762 -5.996 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.819 -0.695 -7.965 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.137 -0.306 -9.548 1.00 0.82 H new ATOM 984 N GLN A 66 -8.441 1.654 -5.751 1.00 0.29 N ATOM 985 CA GLN A 66 -7.924 2.849 -6.404 1.00 0.31 C ATOM 986 C GLN A 66 -6.562 3.207 -5.829 1.00 0.29 C ATOM 987 O GLN A 66 -5.633 3.540 -6.564 1.00 0.36 O ATOM 988 CB GLN A 66 -8.894 4.013 -6.214 1.00 0.35 C ATOM 989 CG GLN A 66 -8.959 4.898 -7.455 1.00 0.79 C ATOM 990 CD GLN A 66 -9.663 6.209 -7.131 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.225 7.281 -7.548 1.00 2.03 O ATOM 992 NE2 GLN A 66 -10.760 6.124 -6.387 1.00 1.31 N ATOM 0 H GLN A 66 -9.152 1.836 -5.043 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.818 2.650 -7.470 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.888 3.626 -5.990 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.583 4.610 -5.357 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -7.952 5.099 -7.821 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -9.490 4.379 -8.253 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.087 5.214 -6.063 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.275 6.969 -6.140 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.447 3.125 -4.507 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.195 3.427 -3.827 1.00 0.27 C ATOM 1003 C ALA A 67 -4.147 2.381 -4.177 1.00 0.26 C ATOM 1004 O ALA A 67 -2.972 2.700 -4.354 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.415 3.461 -2.317 1.00 0.29 C ATOM 0 H ALA A 67 -7.208 2.851 -3.886 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.842 4.405 -4.155 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.473 3.688 -1.817 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -6.149 4.229 -2.073 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.780 2.491 -1.981 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.586 1.131 -4.286 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.692 0.033 -4.627 1.00 0.28 C ATOM 1013 C LYS A 68 -3.107 0.249 -6.017 1.00 0.31 C ATOM 1014 O LYS A 68 -1.907 0.073 -6.230 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.450 -1.291 -4.577 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.573 -2.460 -5.021 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.159 -3.170 -6.237 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.080 -3.888 -7.042 1.00 0.57 C ATOM 1019 NZ LYS A 68 -3.643 -5.048 -7.788 1.00 0.88 N ATOM 0 H LYS A 68 -5.557 0.854 -4.143 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.878 0.001 -3.903 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -4.807 -1.468 -3.562 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.329 -1.232 -5.218 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.573 -2.096 -5.258 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.468 -3.169 -4.200 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -4.910 -3.889 -5.912 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.666 -2.445 -6.873 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.621 -3.190 -7.743 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -2.292 -4.232 -6.372 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -2.885 -5.516 -8.326 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -4.059 -5.724 -7.116 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.378 -4.715 -8.444 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.963 0.636 -6.958 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.535 0.885 -8.327 1.00 0.43 C ATOM 1035 C ARG A 69 -2.673 2.140 -8.391 1.00 0.42 C ATOM 1036 O ARG A 69 -1.716 2.210 -9.162 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.754 1.048 -9.228 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.363 1.033 -10.701 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.458 2.425 -11.321 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.032 2.392 -12.716 1.00 1.81 N ATOM 1041 CZ ARG A 69 -4.740 2.976 -13.676 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -5.994 2.605 -13.896 1.00 2.98 N ATOM 1043 NH2 ARG A 69 -4.197 3.930 -14.419 1.00 2.76 N ATOM 0 H ARG A 69 -4.959 0.784 -6.795 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.945 0.036 -8.671 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.464 0.245 -9.030 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -5.259 1.985 -8.994 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.345 0.657 -10.804 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -5.013 0.347 -11.244 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.483 2.790 -11.256 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -3.836 3.123 -10.761 1.00 1.36 H new ATOM 0 HE ARG A 69 -3.168 1.908 -12.960 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -6.416 1.870 -13.328 1.00 2.98 H new ATOM 0 HH12 ARG A 69 -6.537 3.054 -14.634 1.00 2.98 H new ATOM 0 HH21 ARG A 69 -3.232 4.218 -14.254 1.00 2.76 H new ATOM 0 HH22 ARG A 69 -4.744 4.376 -15.155 1.00 2.76 H new ATOM 1057 N GLU A 70 -3.019 3.129 -7.573 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.280 4.384 -7.530 1.00 0.43 C ATOM 1059 C GLU A 70 -0.851 4.145 -7.058 1.00 0.44 C ATOM 1060 O GLU A 70 0.095 4.723 -7.591 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.979 5.367 -6.592 1.00 0.44 C ATOM 1062 CG GLU A 70 -3.466 6.608 -7.337 1.00 0.59 C ATOM 1063 CD GLU A 70 -4.516 6.227 -8.371 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -5.680 5.997 -7.980 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -4.175 6.159 -9.570 1.00 1.50 O ATOM 0 H GLU A 70 -3.809 3.084 -6.929 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.250 4.805 -8.535 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.825 4.874 -6.113 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.293 5.664 -5.799 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -3.885 7.323 -6.630 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -2.625 7.099 -7.827 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.704 3.288 -6.052 1.00 0.40 N ATOM 1073 CA LEU A 71 0.608 2.967 -5.501 1.00 0.47 C ATOM 1074 C LEU A 71 1.407 2.114 -6.478 1.00 0.52 C ATOM 1075 O LEU A 71 2.586 2.369 -6.721 1.00 0.60 O ATOM 1076 CB LEU A 71 0.448 2.222 -4.180 1.00 0.51 C ATOM 1077 CG LEU A 71 0.231 3.182 -3.014 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.646 2.540 -1.941 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.567 3.624 -2.424 1.00 1.15 C ATOM 0 H LEU A 71 -1.479 2.802 -5.601 1.00 0.40 H new ATOM 0 HA LEU A 71 1.147 3.898 -5.329 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.396 1.536 -4.249 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.335 1.617 -3.993 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.284 4.065 -3.392 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.788 3.242 -1.119 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.615 2.282 -2.369 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.162 1.637 -1.568 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.390 4.308 -1.594 1.00 1.15 H new ATOM 0 HD22 LEU A 71 2.113 2.751 -2.065 1.00 1.15 H new ATOM 0 HD23 LEU A 71 2.154 4.129 -3.191 1.00 1.15 H new ATOM 1091 N LEU A 72 0.759 1.094 -7.028 1.00 0.52 N ATOM 1092 CA LEU A 72 1.409 0.195 -7.974 1.00 0.63 C ATOM 1093 C LEU A 72 2.070 0.980 -9.101 1.00 0.67 C ATOM 1094 O LEU A 72 3.166 0.641 -9.545 1.00 0.83 O ATOM 1095 CB LEU A 72 0.390 -0.782 -8.552 1.00 0.66 C ATOM 1096 CG LEU A 72 1.011 -2.153 -8.811 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.071 -3.190 -9.100 1.00 1.04 C ATOM 1098 CD2 LEU A 72 2.011 -2.081 -9.961 1.00 1.99 C ATOM 0 H LEU A 72 -0.217 0.869 -6.835 1.00 0.52 H new ATOM 0 HA LEU A 72 2.180 -0.362 -7.442 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.448 -0.886 -7.862 1.00 0.66 H new ATOM 0 HB3 LEU A 72 -0.011 -0.382 -9.483 1.00 0.66 H new ATOM 0 HG LEU A 72 1.545 -2.461 -7.912 1.00 0.88 H new ATOM 0 HD11 LEU A 72 0.393 -4.159 -9.282 1.00 1.04 H new ATOM 0 HD12 LEU A 72 -0.742 -3.264 -8.244 1.00 1.04 H new ATOM 0 HD13 LEU A 72 -0.638 -2.889 -9.981 1.00 1.04 H new ATOM 0 HD21 LEU A 72 2.443 -3.068 -10.130 1.00 1.99 H new ATOM 0 HD22 LEU A 72 1.502 -1.748 -10.865 1.00 1.99 H new ATOM 0 HD23 LEU A 72 2.804 -1.376 -9.710 1.00 1.99 H new ATOM 1110 N GLU A 73 1.395 2.028 -9.563 1.00 0.64 N ATOM 1111 CA GLU A 73 1.914 2.858 -10.644 1.00 0.74 C ATOM 1112 C GLU A 73 2.697 4.041 -10.087 1.00 0.71 C ATOM 1113 O GLU A 73 3.928 4.042 -10.089 1.00 0.88 O ATOM 1114 CB GLU A 73 0.765 3.362 -11.512 1.00 0.82 C ATOM 1115 CG GLU A 73 0.615 2.530 -12.784 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.553 3.043 -13.616 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -1.045 4.154 -13.330 1.00 2.01 O ATOM 1118 OE2 GLU A 73 -0.973 2.332 -14.552 1.00 2.05 O ATOM 0 H GLU A 73 0.486 2.323 -9.205 1.00 0.64 H new ATOM 0 HA GLU A 73 2.586 2.251 -11.251 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.164 3.328 -10.943 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.939 4.405 -11.777 1.00 0.82 H new ATOM 0 HG2 GLU A 73 1.534 2.577 -13.368 1.00 1.00 H new ATOM 0 HG3 GLU A 73 0.454 1.483 -12.525 1.00 1.00 H new ATOM 1125 N LEU A 74 1.974 5.051 -9.616 1.00 0.64 N ATOM 1126 CA LEU A 74 2.595 6.248 -9.060 1.00 0.71 C ATOM 1127 C LEU A 74 3.512 5.889 -7.898 1.00 0.82 C ATOM 1128 O LEU A 74 4.629 6.397 -7.799 1.00 1.13 O ATOM 1129 CB LEU A 74 1.519 7.222 -8.590 1.00 0.85 C ATOM 1130 CG LEU A 74 0.575 7.604 -9.727 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.698 8.244 -9.181 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.270 8.539 -10.714 1.00 1.32 C ATOM 0 H LEU A 74 0.954 5.065 -9.608 1.00 0.64 H new ATOM 0 HA LEU A 74 3.193 6.720 -9.840 1.00 0.71 H new ATOM 0 HB2 LEU A 74 0.948 6.771 -7.778 1.00 0.85 H new ATOM 0 HB3 LEU A 74 1.989 8.120 -8.189 1.00 0.85 H new ATOM 0 HG LEU A 74 0.296 6.694 -10.258 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.356 8.508 -10.009 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -1.207 7.539 -8.524 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -0.442 9.143 -8.620 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.580 8.799 -11.517 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.584 9.446 -10.197 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.144 8.040 -11.134 1.00 1.32 H new ATOM 1144 N ALA A 75 3.036 5.011 -7.021 1.00 0.78 N ATOM 1145 CA ALA A 75 3.818 4.587 -5.866 1.00 0.99 C ATOM 1146 C ALA A 75 4.203 5.788 -5.013 1.00 1.70 C ATOM 1147 O ALA A 75 5.154 6.506 -5.327 1.00 2.16 O ATOM 1148 CB ALA A 75 5.076 3.857 -6.330 1.00 1.14 C ATOM 0 H ALA A 75 2.114 4.580 -7.088 1.00 0.78 H new ATOM 0 HA ALA A 75 3.211 3.911 -5.264 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.656 3.543 -5.462 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.794 2.981 -6.914 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.678 4.525 -6.946 1.00 1.14 H new ATOM 1154 N SER A 76 3.459 6.005 -3.933 1.00 2.17 N ATOM 1155 CA SER A 76 3.723 7.122 -3.034 1.00 3.01 C ATOM 1156 C SER A 76 3.656 8.443 -3.792 1.00 3.57 C ATOM 1157 O SER A 76 4.575 9.273 -3.625 1.00 4.23 O ATOM 1158 CB SER A 76 5.094 6.961 -2.388 1.00 3.63 C ATOM 1159 OG SER A 76 5.121 7.600 -1.119 1.00 4.36 O ATOM 1160 OXT SER A 76 2.686 8.645 -4.551 1.00 3.89 O ATOM 0 H SER A 76 2.668 5.422 -3.659 1.00 2.17 H new ATOM 0 HA SER A 76 2.961 7.128 -2.255 1.00 3.01 H new ATOM 0 HB2 SER A 76 5.328 5.902 -2.274 1.00 3.63 H new ATOM 0 HB3 SER A 76 5.860 7.389 -3.034 1.00 3.63 H new ATOM 0 HG SER A 76 4.950 8.558 -1.232 1.00 4.36 H new TER 1166 SER A 76