USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 504 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 39 GLN : amide:sc= -0.53 K(o=-0.53,f=-1.2) USER MOD Set 1.2: A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 GLN : amide:sc= -0.845 K(o=-0.72,f=-0.055) USER MOD Set 2.2: A 34 ASN : amide:sc= 0.125 K(o=-0.72,f=-0.055) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -2.34! K(o=-2.3!,f=-1.1) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 97:sc= 0.681 USER MOD Single : A 24 GLN : amide:sc= -0.348 K(o=-0.35,f=-3.1!) USER MOD Single : A 25 THR OG1 : rot 82:sc= 0.338 USER MOD Single : A 27 ASN : amide:sc= -0.41 K(o=-0.41,f=-2.4) USER MOD Single : A 28 THR OG1 : rot 52:sc= 0.151 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.0756 X(o=-0.076,f=-0.52) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.25) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 180:sc= 0.0235 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.365 3.555 11.350 1.00 0.00 N ATOM 2 CA MET A 1 -25.656 2.962 10.057 1.00 0.00 C ATOM 3 C MET A 1 -24.379 2.785 9.234 1.00 0.00 C ATOM 4 O MET A 1 -23.801 3.764 8.761 1.00 0.00 O ATOM 5 CB MET A 1 -26.636 3.855 9.293 1.00 0.00 C ATOM 6 CG MET A 1 -28.068 3.332 9.419 1.00 0.00 C ATOM 7 SD MET A 1 -28.629 2.701 7.846 1.00 0.00 S ATOM 8 CE MET A 1 -30.257 2.130 8.303 1.00 0.00 C ATOM 0 H1 MET A 1 -26.248 3.664 11.888 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.713 2.939 11.876 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.925 4.488 11.213 1.00 0.00 H new ATOM 0 HA MET A 1 -26.099 1.980 10.222 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.582 4.873 9.678 1.00 0.00 H new ATOM 0 HB3 MET A 1 -26.352 3.897 8.242 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.111 2.545 10.172 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.728 4.132 9.755 1.00 0.00 H new ATOM 0 HE1 MET A 1 -30.751 1.703 7.430 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.171 1.370 9.080 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.844 2.968 8.679 1.00 0.00 H new ATOM 16 N ALA A 2 -23.974 1.532 9.089 1.00 0.00 N ATOM 17 CA ALA A 2 -22.775 1.216 8.332 1.00 0.00 C ATOM 18 C ALA A 2 -22.864 -0.224 7.823 1.00 0.00 C ATOM 19 O ALA A 2 -23.583 -1.044 8.391 1.00 0.00 O ATOM 20 CB ALA A 2 -21.542 1.450 9.207 1.00 0.00 C ATOM 0 H ALA A 2 -24.455 0.723 9.483 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.686 1.868 7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.642 1.213 8.639 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.510 2.494 9.519 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.594 0.810 10.088 1.00 0.00 H new ATOM 26 N SER A 3 -22.121 -0.487 6.756 1.00 0.00 N ATOM 27 CA SER A 3 -22.107 -1.814 6.164 1.00 0.00 C ATOM 28 C SER A 3 -21.202 -1.827 4.931 1.00 0.00 C ATOM 29 O SER A 3 -20.836 -0.773 4.415 1.00 0.00 O ATOM 30 CB SER A 3 -23.521 -2.266 5.791 1.00 0.00 C ATOM 31 OG SER A 3 -24.210 -1.282 5.025 1.00 0.00 O ATOM 0 H SER A 3 -21.526 0.196 6.287 1.00 0.00 H new ATOM 0 HA SER A 3 -21.715 -2.514 6.902 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.467 -3.195 5.224 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.085 -2.479 6.699 1.00 0.00 H new ATOM 0 HG SER A 3 -25.108 -1.608 4.805 1.00 0.00 H new ATOM 36 N LEU A 4 -20.867 -3.033 4.495 1.00 0.00 N ATOM 37 CA LEU A 4 -20.012 -3.197 3.332 1.00 0.00 C ATOM 38 C LEU A 4 -20.649 -2.492 2.132 1.00 0.00 C ATOM 39 O LEU A 4 -19.949 -1.897 1.315 1.00 0.00 O ATOM 40 CB LEU A 4 -19.715 -4.678 3.089 1.00 0.00 C ATOM 41 CG LEU A 4 -18.383 -5.195 3.636 1.00 0.00 C ATOM 42 CD1 LEU A 4 -18.536 -6.602 4.215 1.00 0.00 C ATOM 43 CD2 LEU A 4 -17.290 -5.130 2.567 1.00 0.00 C ATOM 0 H LEU A 4 -21.172 -3.905 4.926 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.044 -2.726 3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.519 -5.266 3.531 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -19.739 -4.861 2.015 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.074 -4.544 4.453 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.574 -6.945 4.597 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -19.263 -6.584 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -18.880 -7.281 3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.353 -5.503 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.579 -5.743 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.158 -4.097 2.244 1.00 0.00 H new ATOM 54 N ILE A 5 -21.969 -2.585 2.065 1.00 0.00 N ATOM 55 CA ILE A 5 -22.708 -1.963 0.980 1.00 0.00 C ATOM 56 C ILE A 5 -22.310 -0.489 0.875 1.00 0.00 C ATOM 57 O ILE A 5 -22.121 0.030 -0.225 1.00 0.00 O ATOM 58 CB ILE A 5 -24.211 -2.183 1.160 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.510 -3.630 1.560 1.00 0.00 C ATOM 60 CG2 ILE A 5 -24.980 -1.766 -0.095 1.00 0.00 C ATOM 61 CD1 ILE A 5 -23.631 -4.608 0.777 1.00 0.00 C ATOM 0 H ILE A 5 -22.545 -3.082 2.744 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.453 -2.430 0.029 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.554 -1.546 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -24.340 -3.758 2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -25.561 -3.852 1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -26.046 -1.933 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.803 -0.709 -0.296 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.639 -2.359 -0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -23.863 -5.629 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -23.821 -4.494 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.581 -4.399 0.983 1.00 0.00 H new ATOM 72 N GLN A 6 -22.195 0.143 2.033 1.00 0.00 N ATOM 73 CA GLN A 6 -21.823 1.546 2.086 1.00 0.00 C ATOM 74 C GLN A 6 -20.470 1.763 1.406 1.00 0.00 C ATOM 75 O GLN A 6 -20.344 2.607 0.520 1.00 0.00 O ATOM 76 CB GLN A 6 -21.799 2.053 3.529 1.00 0.00 C ATOM 77 CG GLN A 6 -23.040 2.893 3.837 1.00 0.00 C ATOM 78 CD GLN A 6 -22.684 4.098 4.710 1.00 0.00 C ATOM 79 OE1 GLN A 6 -23.161 4.255 5.822 1.00 0.00 O ATOM 80 NE2 GLN A 6 -21.822 4.940 4.146 1.00 0.00 N ATOM 0 H GLN A 6 -22.353 -0.291 2.942 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.575 2.121 1.546 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -21.749 1.207 4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -20.902 2.650 3.693 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.492 3.235 2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -23.783 2.278 4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.460 4.750 3.211 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.523 5.776 4.648 1.00 0.00 H new ATOM 87 N VAL A 7 -19.492 0.985 1.846 1.00 0.00 N ATOM 88 CA VAL A 7 -18.152 1.081 1.290 1.00 0.00 C ATOM 89 C VAL A 7 -18.177 0.631 -0.172 1.00 0.00 C ATOM 90 O VAL A 7 -17.622 1.302 -1.040 1.00 0.00 O ATOM 91 CB VAL A 7 -17.172 0.278 2.147 1.00 0.00 C ATOM 92 CG1 VAL A 7 -15.885 -0.021 1.374 1.00 0.00 C ATOM 93 CG2 VAL A 7 -16.867 1.004 3.458 1.00 0.00 C ATOM 0 H VAL A 7 -19.600 0.286 2.581 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.805 2.114 1.305 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.644 -0.673 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.205 -0.593 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -16.123 -0.599 0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.409 0.916 1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.168 0.411 4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.425 1.977 3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -17.790 1.142 4.021 1.00 0.00 H new ATOM 103 N ARG A 8 -18.828 -0.501 -0.398 1.00 0.00 N ATOM 104 CA ARG A 8 -18.932 -1.048 -1.740 1.00 0.00 C ATOM 105 C ARG A 8 -19.559 -0.021 -2.685 1.00 0.00 C ATOM 106 O ARG A 8 -19.053 0.208 -3.782 1.00 0.00 O ATOM 107 CB ARG A 8 -19.778 -2.323 -1.749 1.00 0.00 C ATOM 108 CG ARG A 8 -18.987 -3.510 -1.196 1.00 0.00 C ATOM 109 CD ARG A 8 -19.478 -4.826 -1.803 1.00 0.00 C ATOM 110 NE ARG A 8 -18.402 -5.445 -2.609 1.00 0.00 N ATOM 111 CZ ARG A 8 -18.208 -5.206 -3.924 1.00 0.00 C ATOM 112 NH1 ARG A 8 -19.018 -4.359 -4.592 1.00 0.00 N ATOM 113 NH2 ARG A 8 -17.214 -5.814 -4.545 1.00 0.00 N ATOM 0 H ARG A 8 -19.288 -1.054 0.325 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.925 -1.290 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.677 -2.171 -1.152 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.103 -2.541 -2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -17.927 -3.378 -1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.088 -3.545 -0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.788 -5.508 -1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.352 -4.644 -2.428 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.767 -6.093 -2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -19.783 -3.894 -4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.865 -4.184 -5.585 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.607 -6.453 -4.032 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.053 -5.645 -5.538 1.00 0.00 H new ATOM 123 N ASP A 9 -20.653 0.571 -2.223 1.00 0.00 N ATOM 124 CA ASP A 9 -21.353 1.568 -3.014 1.00 0.00 C ATOM 125 C ASP A 9 -20.426 2.758 -3.265 1.00 0.00 C ATOM 126 O ASP A 9 -20.256 3.188 -4.405 1.00 0.00 O ATOM 127 CB ASP A 9 -22.592 2.081 -2.278 1.00 0.00 C ATOM 128 CG ASP A 9 -23.621 2.791 -3.161 1.00 0.00 C ATOM 129 OD1 ASP A 9 -23.789 4.018 -3.088 1.00 0.00 O ATOM 130 OD2 ASP A 9 -24.276 2.021 -3.963 1.00 0.00 O ATOM 0 H ASP A 9 -21.070 0.379 -1.312 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.656 1.103 -3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -23.078 1.239 -1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.272 2.768 -1.494 1.00 0.00 H new ATOM 135 N LEU A 10 -19.848 3.256 -2.182 1.00 0.00 N ATOM 136 CA LEU A 10 -18.941 4.388 -2.271 1.00 0.00 C ATOM 137 C LEU A 10 -17.770 4.027 -3.187 1.00 0.00 C ATOM 138 O LEU A 10 -17.428 4.788 -4.092 1.00 0.00 O ATOM 139 CB LEU A 10 -18.512 4.842 -0.874 1.00 0.00 C ATOM 140 CG LEU A 10 -19.346 5.962 -0.247 1.00 0.00 C ATOM 141 CD1 LEU A 10 -19.389 7.189 -1.159 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.747 5.465 0.114 1.00 0.00 C ATOM 0 H LEU A 10 -19.990 2.896 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.444 5.245 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.540 3.979 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.475 5.173 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.865 6.269 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.988 7.970 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.376 7.557 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.834 6.916 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.319 6.280 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -21.252 5.115 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.669 4.645 0.828 1.00 0.00 H new ATOM 153 N LEU A 11 -17.188 2.867 -2.922 1.00 0.00 N ATOM 154 CA LEU A 11 -16.062 2.397 -3.711 1.00 0.00 C ATOM 155 C LEU A 11 -16.420 2.474 -5.197 1.00 0.00 C ATOM 156 O LEU A 11 -15.543 2.645 -6.042 1.00 0.00 O ATOM 157 CB LEU A 11 -15.633 1.002 -3.253 1.00 0.00 C ATOM 158 CG LEU A 11 -14.420 0.946 -2.322 1.00 0.00 C ATOM 159 CD1 LEU A 11 -13.983 -0.500 -2.078 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.275 1.807 -2.860 1.00 0.00 C ATOM 0 H LEU A 11 -17.475 2.238 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.194 3.038 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.476 0.532 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.416 0.402 -4.137 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.710 1.363 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.119 -0.512 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.801 -1.055 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.717 -0.965 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.426 1.749 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.977 1.443 -3.843 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.605 2.843 -2.941 1.00 0.00 H new ATOM 171 N ALA A 12 -17.709 2.342 -5.470 1.00 0.00 N ATOM 172 CA ALA A 12 -18.194 2.394 -6.839 1.00 0.00 C ATOM 173 C ALA A 12 -18.442 3.851 -7.233 1.00 0.00 C ATOM 174 O ALA A 12 -17.856 4.347 -8.194 1.00 0.00 O ATOM 175 CB ALA A 12 -19.451 1.532 -6.969 1.00 0.00 C ATOM 0 H ALA A 12 -18.433 2.199 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.450 1.990 -7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.814 1.571 -7.996 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.214 0.501 -6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.222 1.909 -6.297 1.00 0.00 H new ATOM 181 N LEU A 13 -19.313 4.497 -6.470 1.00 0.00 N ATOM 182 CA LEU A 13 -19.646 5.888 -6.727 1.00 0.00 C ATOM 183 C LEU A 13 -18.358 6.711 -6.798 1.00 0.00 C ATOM 184 O LEU A 13 -18.068 7.328 -7.821 1.00 0.00 O ATOM 185 CB LEU A 13 -20.646 6.399 -5.688 1.00 0.00 C ATOM 186 CG LEU A 13 -22.025 5.736 -5.702 1.00 0.00 C ATOM 187 CD1 LEU A 13 -23.027 6.537 -4.867 1.00 0.00 C ATOM 188 CD2 LEU A 13 -22.516 5.521 -7.134 1.00 0.00 C ATOM 0 H LEU A 13 -19.798 4.082 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.143 5.990 -7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.211 6.266 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.778 7.471 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 13 -21.935 4.752 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.999 6.044 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.678 6.595 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -23.119 7.543 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.498 5.048 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -22.586 6.482 -7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -21.815 4.879 -7.667 1.00 0.00 H new ATOM 199 N ARG A 14 -17.622 6.695 -5.697 1.00 0.00 N ATOM 200 CA ARG A 14 -16.371 7.433 -5.621 1.00 0.00 C ATOM 201 C ARG A 14 -15.271 6.691 -6.383 1.00 0.00 C ATOM 202 O ARG A 14 -14.182 7.227 -6.584 1.00 0.00 O ATOM 203 CB ARG A 14 -15.934 7.628 -4.168 1.00 0.00 C ATOM 204 CG ARG A 14 -16.772 8.709 -3.484 1.00 0.00 C ATOM 205 CD ARG A 14 -18.237 8.624 -3.917 1.00 0.00 C ATOM 206 NE ARG A 14 -19.045 9.610 -3.166 1.00 0.00 N ATOM 207 CZ ARG A 14 -19.170 10.908 -3.513 1.00 0.00 C ATOM 208 NH1 ARG A 14 -18.538 11.388 -4.606 1.00 0.00 N ATOM 209 NH2 ARG A 14 -19.918 11.701 -2.769 1.00 0.00 N ATOM 0 H ARG A 14 -17.867 6.183 -4.850 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.534 8.411 -6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.034 6.688 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -14.880 7.905 -4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.702 8.598 -2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.373 9.693 -3.730 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.320 8.813 -4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.619 7.619 -3.741 1.00 0.00 H new ATOM 0 HE ARG A 14 -19.539 9.288 -2.333 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -17.962 10.768 -5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.637 12.370 -4.862 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.391 11.330 -1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -20.023 12.685 -3.018 1.00 0.00 H new ATOM 219 N GLY A 15 -15.593 5.471 -6.786 1.00 0.00 N ATOM 220 CA GLY A 15 -14.646 4.651 -7.522 1.00 0.00 C ATOM 221 C GLY A 15 -13.459 4.260 -6.640 1.00 0.00 C ATOM 222 O GLY A 15 -13.615 4.061 -5.436 1.00 0.00 O ATOM 0 H GLY A 15 -16.497 5.030 -6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.144 3.753 -7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.290 5.196 -8.396 1.00 0.00 H new ATOM 226 N ARG A 16 -12.299 4.161 -7.272 1.00 0.00 N ATOM 227 CA ARG A 16 -11.086 3.796 -6.559 1.00 0.00 C ATOM 228 C ARG A 16 -10.645 4.940 -5.644 1.00 0.00 C ATOM 229 O ARG A 16 -10.384 6.048 -6.111 1.00 0.00 O ATOM 230 CB ARG A 16 -9.954 3.465 -7.533 1.00 0.00 C ATOM 231 CG ARG A 16 -9.762 4.588 -8.553 1.00 0.00 C ATOM 232 CD ARG A 16 -8.278 4.913 -8.738 1.00 0.00 C ATOM 233 NE ARG A 16 -7.950 4.977 -10.181 1.00 0.00 N ATOM 234 CZ ARG A 16 -6.761 5.392 -10.669 1.00 0.00 C ATOM 235 NH1 ARG A 16 -5.777 5.785 -9.832 1.00 0.00 N ATOM 236 NH2 ARG A 16 -6.577 5.409 -11.976 1.00 0.00 N ATOM 0 H ARG A 16 -12.173 4.327 -8.270 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.305 2.912 -5.961 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.028 3.309 -6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.177 2.532 -8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.195 4.294 -9.509 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.295 5.480 -8.222 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.043 5.864 -8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.667 4.153 -8.251 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.667 4.690 -10.848 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.929 5.770 -8.823 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.882 6.097 -10.208 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.327 5.112 -12.600 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.685 5.720 -12.361 1.00 0.00 H new ATOM 246 N MET A 17 -10.573 4.632 -4.357 1.00 0.00 N ATOM 247 CA MET A 17 -10.167 5.621 -3.373 1.00 0.00 C ATOM 248 C MET A 17 -9.583 4.948 -2.129 1.00 0.00 C ATOM 249 O MET A 17 -9.584 3.723 -2.023 1.00 0.00 O ATOM 250 CB MET A 17 -11.375 6.471 -2.975 1.00 0.00 C ATOM 251 CG MET A 17 -11.851 7.332 -4.147 1.00 0.00 C ATOM 252 SD MET A 17 -10.546 8.436 -4.663 1.00 0.00 S ATOM 253 CE MET A 17 -11.289 9.129 -6.130 1.00 0.00 C ATOM 0 H MET A 17 -10.789 3.712 -3.973 1.00 0.00 H new ATOM 0 HA MET A 17 -9.398 6.253 -3.816 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.186 5.823 -2.642 1.00 0.00 H new ATOM 0 HB3 MET A 17 -11.112 7.111 -2.133 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.150 6.695 -4.979 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.730 7.906 -3.854 1.00 0.00 H new ATOM 0 HE1 MET A 17 -10.603 9.845 -6.582 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.502 8.331 -6.842 1.00 0.00 H new ATOM 0 HE3 MET A 17 -12.217 9.635 -5.864 1.00 0.00 H new ATOM 261 N GLU A 18 -9.100 5.780 -1.217 1.00 0.00 N ATOM 262 CA GLU A 18 -8.515 5.281 0.016 1.00 0.00 C ATOM 263 C GLU A 18 -9.612 4.954 1.029 1.00 0.00 C ATOM 264 O GLU A 18 -10.645 5.622 1.070 1.00 0.00 O ATOM 265 CB GLU A 18 -7.515 6.284 0.593 1.00 0.00 C ATOM 266 CG GLU A 18 -6.723 5.667 1.746 1.00 0.00 C ATOM 267 CD GLU A 18 -5.428 5.025 1.241 1.00 0.00 C ATOM 268 OE1 GLU A 18 -4.694 5.645 0.458 1.00 0.00 O ATOM 269 OE2 GLU A 18 -5.195 3.839 1.692 1.00 0.00 O ATOM 0 H GLU A 18 -9.102 6.796 -1.308 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.970 4.364 -0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.830 6.611 -0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.044 7.170 0.944 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.489 6.435 2.483 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.332 4.917 2.250 1.00 0.00 H new ATOM 275 N ALA A 19 -9.353 3.927 1.825 1.00 0.00 N ATOM 276 CA ALA A 19 -10.306 3.504 2.837 1.00 0.00 C ATOM 277 C ALA A 19 -10.546 4.654 3.818 1.00 0.00 C ATOM 278 O ALA A 19 -11.683 4.915 4.207 1.00 0.00 O ATOM 279 CB ALA A 19 -9.786 2.244 3.533 1.00 0.00 C ATOM 0 H ALA A 19 -8.496 3.375 1.789 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.264 3.254 2.381 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.501 1.926 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.659 1.449 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.827 2.458 4.005 1.00 0.00 H new ATOM 285 N ALA A 20 -9.457 5.311 4.189 1.00 0.00 N ATOM 286 CA ALA A 20 -9.535 6.426 5.116 1.00 0.00 C ATOM 287 C ALA A 20 -10.712 7.324 4.729 1.00 0.00 C ATOM 288 O ALA A 20 -11.409 7.848 5.597 1.00 0.00 O ATOM 289 CB ALA A 20 -8.204 7.182 5.121 1.00 0.00 C ATOM 0 H ALA A 20 -8.515 5.092 3.864 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.711 6.069 6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.263 8.019 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.404 6.509 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.995 7.557 4.119 1.00 0.00 H new ATOM 295 N GLN A 21 -10.899 7.473 3.426 1.00 0.00 N ATOM 296 CA GLN A 21 -11.980 8.298 2.914 1.00 0.00 C ATOM 297 C GLN A 21 -13.319 7.575 3.071 1.00 0.00 C ATOM 298 O GLN A 21 -14.283 8.149 3.573 1.00 0.00 O ATOM 299 CB GLN A 21 -11.732 8.682 1.453 1.00 0.00 C ATOM 300 CG GLN A 21 -10.718 9.823 1.352 1.00 0.00 C ATOM 301 CD GLN A 21 -10.642 10.363 -0.078 1.00 0.00 C ATOM 302 OE1 GLN A 21 -10.978 11.502 -0.357 1.00 0.00 O ATOM 303 NE2 GLN A 21 -10.183 9.484 -0.965 1.00 0.00 N ATOM 0 H GLN A 21 -10.320 7.036 2.709 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.016 9.219 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.366 7.815 0.902 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.671 8.982 0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.999 10.626 2.033 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.735 9.470 1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.919 8.546 -0.664 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.095 9.748 -1.946 1.00 0.00 H new ATOM 310 N ILE A 22 -13.335 6.324 2.633 1.00 0.00 N ATOM 311 CA ILE A 22 -14.540 5.517 2.718 1.00 0.00 C ATOM 312 C ILE A 22 -15.020 5.476 4.170 1.00 0.00 C ATOM 313 O ILE A 22 -16.206 5.657 4.441 1.00 0.00 O ATOM 314 CB ILE A 22 -14.302 4.133 2.111 1.00 0.00 C ATOM 315 CG1 ILE A 22 -13.981 4.237 0.618 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.488 3.205 2.379 1.00 0.00 C ATOM 317 CD1 ILE A 22 -12.862 3.269 0.230 1.00 0.00 C ATOM 0 H ILE A 22 -12.533 5.850 2.218 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.340 5.965 2.129 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.432 3.692 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.875 4.018 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.684 5.258 0.376 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -15.293 2.228 1.937 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.628 3.095 3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.389 3.630 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.653 3.363 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.963 3.506 0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.172 2.248 0.451 1.00 0.00 H new ATOM 328 N SER A 23 -14.074 5.240 5.066 1.00 0.00 N ATOM 329 CA SER A 23 -14.385 5.173 6.484 1.00 0.00 C ATOM 330 C SER A 23 -15.036 6.482 6.939 1.00 0.00 C ATOM 331 O SER A 23 -16.067 6.465 7.608 1.00 0.00 O ATOM 332 CB SER A 23 -13.129 4.891 7.311 1.00 0.00 C ATOM 333 OG SER A 23 -12.424 6.086 7.637 1.00 0.00 O ATOM 0 H SER A 23 -13.091 5.093 4.838 1.00 0.00 H new ATOM 0 HA SER A 23 -15.084 4.352 6.642 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.408 4.373 8.229 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.472 4.223 6.755 1.00 0.00 H new ATOM 0 HG SER A 23 -12.671 6.376 8.540 1.00 0.00 H new ATOM 338 N GLN A 24 -14.407 7.583 6.556 1.00 0.00 N ATOM 339 CA GLN A 24 -14.912 8.897 6.915 1.00 0.00 C ATOM 340 C GLN A 24 -16.366 9.047 6.466 1.00 0.00 C ATOM 341 O GLN A 24 -17.205 9.536 7.220 1.00 0.00 O ATOM 342 CB GLN A 24 -14.038 10.003 6.320 1.00 0.00 C ATOM 343 CG GLN A 24 -13.166 10.651 7.397 1.00 0.00 C ATOM 344 CD GLN A 24 -13.656 12.063 7.724 1.00 0.00 C ATOM 345 OE1 GLN A 24 -14.617 12.559 7.160 1.00 0.00 O ATOM 346 NE2 GLN A 24 -12.944 12.680 8.662 1.00 0.00 N ATOM 0 H GLN A 24 -13.552 7.592 6.000 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.875 8.995 8.000 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.405 9.589 5.535 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.669 10.760 5.854 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.181 10.039 8.299 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.131 10.691 7.057 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.151 12.207 9.094 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.191 13.627 8.950 1.00 0.00 H new ATOM 353 N THR A 25 -16.621 8.617 5.239 1.00 0.00 N ATOM 354 CA THR A 25 -17.960 8.697 4.680 1.00 0.00 C ATOM 355 C THR A 25 -18.987 8.152 5.675 1.00 0.00 C ATOM 356 O THR A 25 -20.118 8.632 5.730 1.00 0.00 O ATOM 357 CB THR A 25 -17.959 7.957 3.341 1.00 0.00 C ATOM 358 OG1 THR A 25 -17.042 8.694 2.537 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.291 8.085 2.600 1.00 0.00 C ATOM 0 H THR A 25 -15.923 8.212 4.616 1.00 0.00 H new ATOM 0 HA THR A 25 -18.250 9.731 4.495 1.00 0.00 H new ATOM 0 HB THR A 25 -17.738 6.903 3.510 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.126 8.416 2.747 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.236 7.542 1.657 1.00 0.00 H new ATOM 0 HG22 THR A 25 -20.090 7.668 3.213 1.00 0.00 H new ATOM 0 HG23 THR A 25 -19.497 9.137 2.402 1.00 0.00 H new ATOM 367 N LEU A 26 -18.556 7.158 6.437 1.00 0.00 N ATOM 368 CA LEU A 26 -19.423 6.543 7.426 1.00 0.00 C ATOM 369 C LEU A 26 -18.849 6.787 8.824 1.00 0.00 C ATOM 370 O LEU A 26 -18.984 5.946 9.710 1.00 0.00 O ATOM 371 CB LEU A 26 -19.642 5.063 7.102 1.00 0.00 C ATOM 372 CG LEU A 26 -18.555 4.394 6.259 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.446 2.903 6.587 1.00 0.00 C ATOM 374 CD2 LEU A 26 -18.790 4.637 4.767 1.00 0.00 C ATOM 0 H LEU A 26 -17.617 6.763 6.389 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.412 7.001 7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.735 4.516 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.593 4.963 6.579 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.598 4.850 6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.666 2.452 5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.196 2.780 7.641 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.398 2.414 6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.003 4.151 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.757 4.226 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.777 5.708 4.566 1.00 0.00 H new ATOM 385 N ASN A 27 -18.221 7.944 8.977 1.00 0.00 N ATOM 386 CA ASN A 27 -17.627 8.311 10.250 1.00 0.00 C ATOM 387 C ASN A 27 -16.980 7.075 10.880 1.00 0.00 C ATOM 388 O ASN A 27 -16.922 6.956 12.104 1.00 0.00 O ATOM 389 CB ASN A 27 -18.685 8.837 11.221 1.00 0.00 C ATOM 390 CG ASN A 27 -18.035 9.554 12.406 1.00 0.00 C ATOM 391 OD1 ASN A 27 -16.824 9.593 12.553 1.00 0.00 O ATOM 392 ND2 ASN A 27 -18.904 10.117 13.241 1.00 0.00 N ATOM 0 H ASN A 27 -18.111 8.640 8.239 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.888 9.091 10.065 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.354 9.522 10.700 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -19.295 8.009 11.583 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -18.569 10.619 14.063 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -19.905 10.047 13.059 1.00 0.00 H new ATOM 398 N THR A 28 -16.511 6.187 10.017 1.00 0.00 N ATOM 399 CA THR A 28 -15.871 4.965 10.473 1.00 0.00 C ATOM 400 C THR A 28 -14.379 5.201 10.711 1.00 0.00 C ATOM 401 O THR A 28 -13.751 5.993 10.008 1.00 0.00 O ATOM 402 CB THR A 28 -16.156 3.868 9.444 1.00 0.00 C ATOM 403 OG1 THR A 28 -17.519 3.522 9.675 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.389 2.577 9.736 1.00 0.00 C ATOM 0 H THR A 28 -16.561 6.289 9.003 1.00 0.00 H new ATOM 0 HA THR A 28 -16.274 4.643 11.433 1.00 0.00 H new ATOM 0 HB THR A 28 -15.895 4.227 8.449 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.069 4.333 9.665 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.627 1.832 8.976 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.318 2.779 9.723 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.674 2.198 10.717 1.00 0.00 H new ATOM 412 N PRO A 29 -13.837 4.482 11.731 1.00 0.00 N ATOM 413 CA PRO A 29 -12.431 4.606 12.070 1.00 0.00 C ATOM 414 C PRO A 29 -11.554 3.880 11.047 1.00 0.00 C ATOM 415 O PRO A 29 -11.853 2.752 10.657 1.00 0.00 O ATOM 416 CB PRO A 29 -12.311 4.028 13.470 1.00 0.00 C ATOM 417 CG PRO A 29 -13.557 3.182 13.680 1.00 0.00 C ATOM 418 CD PRO A 29 -14.549 3.535 12.584 1.00 0.00 C ATOM 0 HA PRO A 29 -12.083 5.639 12.049 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.408 3.425 13.567 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.247 4.821 14.216 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.309 2.121 13.643 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -13.988 3.375 14.662 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -14.853 2.650 12.025 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.455 3.978 12.998 1.00 0.00 H new ATOM 423 N GLN A 30 -10.489 4.556 10.642 1.00 0.00 N ATOM 424 CA GLN A 30 -9.567 3.991 9.672 1.00 0.00 C ATOM 425 C GLN A 30 -9.371 2.496 9.936 1.00 0.00 C ATOM 426 O GLN A 30 -9.538 1.676 9.034 1.00 0.00 O ATOM 427 CB GLN A 30 -8.228 4.731 9.691 1.00 0.00 C ATOM 428 CG GLN A 30 -7.799 5.125 8.276 1.00 0.00 C ATOM 429 CD GLN A 30 -7.226 3.921 7.523 1.00 0.00 C ATOM 430 OE1 GLN A 30 -6.296 3.266 7.963 1.00 0.00 O ATOM 431 NE2 GLN A 30 -7.832 3.669 6.367 1.00 0.00 N ATOM 0 H GLN A 30 -10.244 5.491 10.968 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.997 4.112 8.678 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.310 5.623 10.312 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.465 4.098 10.143 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.653 5.526 7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.052 5.917 8.326 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.605 4.258 6.058 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.524 2.887 5.789 1.00 0.00 H new ATOM 438 N PRO A 31 -9.011 2.179 11.208 1.00 0.00 N ATOM 439 CA PRO A 31 -8.790 0.798 11.601 1.00 0.00 C ATOM 440 C PRO A 31 -10.117 0.053 11.755 1.00 0.00 C ATOM 441 O PRO A 31 -10.376 -0.555 12.792 1.00 0.00 O ATOM 442 CB PRO A 31 -8.002 0.879 12.898 1.00 0.00 C ATOM 443 CG PRO A 31 -8.211 2.289 13.425 1.00 0.00 C ATOM 444 CD PRO A 31 -8.805 3.124 12.302 1.00 0.00 C ATOM 0 HA PRO A 31 -8.240 0.231 10.850 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.354 0.138 13.616 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.944 0.679 12.726 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.878 2.279 14.287 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.265 2.716 13.759 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.743 3.588 12.607 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.132 3.929 12.008 1.00 0.00 H new ATOM 449 N MET A 32 -10.924 0.123 10.706 1.00 0.00 N ATOM 450 CA MET A 32 -12.218 -0.536 10.711 1.00 0.00 C ATOM 451 C MET A 32 -12.588 -1.029 9.311 1.00 0.00 C ATOM 452 O MET A 32 -13.051 -2.157 9.147 1.00 0.00 O ATOM 453 CB MET A 32 -13.288 0.439 11.207 1.00 0.00 C ATOM 454 CG MET A 32 -14.397 -0.300 11.959 1.00 0.00 C ATOM 455 SD MET A 32 -13.796 -0.852 13.546 1.00 0.00 S ATOM 456 CE MET A 32 -15.306 -0.765 14.496 1.00 0.00 C ATOM 0 H MET A 32 -10.706 0.627 9.846 1.00 0.00 H new ATOM 0 HA MET A 32 -12.162 -1.397 11.377 1.00 0.00 H new ATOM 0 HB2 MET A 32 -12.833 1.182 11.862 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.714 0.978 10.361 1.00 0.00 H new ATOM 0 HG2 MET A 32 -15.256 0.357 12.095 1.00 0.00 H new ATOM 0 HG3 MET A 32 -14.738 -1.154 11.373 1.00 0.00 H new ATOM 0 HE1 MET A 32 -15.109 -1.079 15.521 1.00 0.00 H new ATOM 0 HE2 MET A 32 -15.678 0.260 14.495 1.00 0.00 H new ATOM 0 HE3 MET A 32 -16.053 -1.423 14.052 1.00 0.00 H new ATOM 464 N ILE A 33 -12.370 -0.160 8.335 1.00 0.00 N ATOM 465 CA ILE A 33 -12.674 -0.492 6.954 1.00 0.00 C ATOM 466 C ILE A 33 -11.603 -1.443 6.415 1.00 0.00 C ATOM 467 O ILE A 33 -11.903 -2.336 5.623 1.00 0.00 O ATOM 468 CB ILE A 33 -12.842 0.780 6.121 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.007 1.626 6.639 1.00 0.00 C ATOM 470 CG2 ILE A 33 -12.992 0.447 4.635 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.283 0.790 6.751 1.00 0.00 C ATOM 0 H ILE A 33 -11.986 0.775 8.474 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.628 -1.015 6.890 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.937 1.379 6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.754 2.042 7.614 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.177 2.468 5.968 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -13.110 1.369 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.104 -0.082 4.289 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.869 -0.184 4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.096 1.415 7.121 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.547 0.395 5.770 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.117 -0.037 7.442 1.00 0.00 H new ATOM 482 N ASN A 34 -10.378 -1.220 6.866 1.00 0.00 N ATOM 483 CA ASN A 34 -9.261 -2.047 6.439 1.00 0.00 C ATOM 484 C ASN A 34 -9.597 -3.519 6.686 1.00 0.00 C ATOM 485 O ASN A 34 -9.276 -4.378 5.867 1.00 0.00 O ATOM 486 CB ASN A 34 -7.994 -1.712 7.230 1.00 0.00 C ATOM 487 CG ASN A 34 -7.315 -0.459 6.673 1.00 0.00 C ATOM 488 OD1 ASN A 34 -6.715 -0.467 5.612 1.00 0.00 O ATOM 489 ND2 ASN A 34 -7.444 0.615 7.448 1.00 0.00 N ATOM 0 H ASN A 34 -10.134 -0.479 7.523 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.086 -1.857 5.380 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.246 -1.557 8.279 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.302 -2.553 7.189 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.027 1.501 7.165 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.960 0.552 8.325 1.00 0.00 H new ATOM 495 N ALA A 35 -10.242 -3.763 7.818 1.00 0.00 N ATOM 496 CA ALA A 35 -10.626 -5.117 8.183 1.00 0.00 C ATOM 497 C ALA A 35 -11.494 -5.712 7.073 1.00 0.00 C ATOM 498 O ALA A 35 -11.281 -6.849 6.655 1.00 0.00 O ATOM 499 CB ALA A 35 -11.340 -5.098 9.535 1.00 0.00 C ATOM 0 H ALA A 35 -10.508 -3.047 8.494 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.746 -5.751 8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.628 -6.113 9.809 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.671 -4.693 10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.231 -4.474 9.467 1.00 0.00 H new ATOM 505 N MET A 36 -12.455 -4.918 6.626 1.00 0.00 N ATOM 506 CA MET A 36 -13.357 -5.352 5.573 1.00 0.00 C ATOM 507 C MET A 36 -12.603 -5.564 4.259 1.00 0.00 C ATOM 508 O MET A 36 -12.767 -6.592 3.604 1.00 0.00 O ATOM 509 CB MET A 36 -14.451 -4.301 5.371 1.00 0.00 C ATOM 510 CG MET A 36 -14.974 -3.790 6.715 1.00 0.00 C ATOM 511 SD MET A 36 -16.735 -4.061 6.827 1.00 0.00 S ATOM 512 CE MET A 36 -16.774 -5.326 8.086 1.00 0.00 C ATOM 0 H MET A 36 -12.629 -3.975 6.974 1.00 0.00 H new ATOM 0 HA MET A 36 -13.804 -6.300 5.871 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.057 -3.468 4.789 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.272 -4.731 4.797 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.466 -4.303 7.531 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.754 -2.728 6.820 1.00 0.00 H new ATOM 0 HE1 MET A 36 -17.807 -5.614 8.280 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.213 -6.196 7.745 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.326 -4.941 9.002 1.00 0.00 H new ATOM 520 N LEU A 37 -11.795 -4.573 3.911 1.00 0.00 N ATOM 521 CA LEU A 37 -11.014 -4.638 2.687 1.00 0.00 C ATOM 522 C LEU A 37 -10.148 -5.899 2.705 1.00 0.00 C ATOM 523 O LEU A 37 -9.966 -6.546 1.675 1.00 0.00 O ATOM 524 CB LEU A 37 -10.217 -3.347 2.491 1.00 0.00 C ATOM 525 CG LEU A 37 -11.025 -2.118 2.068 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.296 -0.827 2.446 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.363 -2.170 0.578 1.00 0.00 C ATOM 0 H LEU A 37 -11.664 -3.720 4.455 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.670 -4.715 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.703 -3.116 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.448 -3.528 1.740 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.969 -2.126 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.891 0.031 2.135 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.150 -0.795 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.327 -0.797 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.937 -1.285 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.441 -2.199 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.952 -3.063 0.369 1.00 0.00 H new ATOM 538 N GLN A 38 -9.637 -6.211 3.887 1.00 0.00 N ATOM 539 CA GLN A 38 -8.794 -7.383 4.053 1.00 0.00 C ATOM 540 C GLN A 38 -9.586 -8.654 3.740 1.00 0.00 C ATOM 541 O GLN A 38 -9.032 -9.622 3.222 1.00 0.00 O ATOM 542 CB GLN A 38 -8.203 -7.438 5.463 1.00 0.00 C ATOM 543 CG GLN A 38 -6.684 -7.611 5.413 1.00 0.00 C ATOM 544 CD GLN A 38 -6.192 -8.469 6.581 1.00 0.00 C ATOM 545 OE1 GLN A 38 -6.741 -9.514 6.892 1.00 0.00 O ATOM 546 NE2 GLN A 38 -5.129 -7.973 7.208 1.00 0.00 N ATOM 0 H GLN A 38 -9.791 -5.672 4.739 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.964 -7.313 3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.451 -6.523 6.001 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.649 -8.264 6.016 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.398 -8.076 4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.202 -6.634 5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.718 -7.093 6.897 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.725 -8.473 8.000 1.00 0.00 H new ATOM 553 N GLN A 39 -10.869 -8.610 4.069 1.00 0.00 N ATOM 554 CA GLN A 39 -11.742 -9.747 3.830 1.00 0.00 C ATOM 555 C GLN A 39 -12.088 -9.847 2.343 1.00 0.00 C ATOM 556 O GLN A 39 -12.042 -10.930 1.763 1.00 0.00 O ATOM 557 CB GLN A 39 -13.009 -9.653 4.681 1.00 0.00 C ATOM 558 CG GLN A 39 -13.335 -11.000 5.329 1.00 0.00 C ATOM 559 CD GLN A 39 -14.254 -11.832 4.431 1.00 0.00 C ATOM 560 OE1 GLN A 39 -13.881 -12.274 3.357 1.00 0.00 O ATOM 561 NE2 GLN A 39 -15.473 -12.020 4.930 1.00 0.00 N ATOM 0 H GLN A 39 -11.325 -7.805 4.499 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.213 -10.654 4.122 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.877 -8.896 5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.845 -9.332 4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.413 -11.549 5.520 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.814 -10.837 6.294 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.720 -11.622 5.836 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.160 -12.562 4.407 1.00 0.00 H new ATOM 568 N LEU A 40 -12.424 -8.702 1.767 1.00 0.00 N ATOM 569 CA LEU A 40 -12.777 -8.647 0.359 1.00 0.00 C ATOM 570 C LEU A 40 -11.583 -9.107 -0.479 1.00 0.00 C ATOM 571 O LEU A 40 -11.753 -9.801 -1.481 1.00 0.00 O ATOM 572 CB LEU A 40 -13.289 -7.253 -0.011 1.00 0.00 C ATOM 573 CG LEU A 40 -14.550 -6.786 0.719 1.00 0.00 C ATOM 574 CD1 LEU A 40 -14.756 -5.280 0.546 1.00 0.00 C ATOM 575 CD2 LEU A 40 -15.773 -7.589 0.270 1.00 0.00 C ATOM 0 H LEU A 40 -12.459 -7.805 2.251 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.599 -9.330 0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.494 -6.533 0.182 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.485 -7.232 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.418 -6.972 1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.659 -4.973 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.898 -4.746 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -14.859 -5.046 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.656 -7.237 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.921 -7.458 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.615 -8.645 0.487 1.00 0.00 H new ATOM 586 N GLU A 41 -10.401 -8.700 -0.041 1.00 0.00 N ATOM 587 CA GLU A 41 -9.179 -9.061 -0.738 1.00 0.00 C ATOM 588 C GLU A 41 -9.036 -10.583 -0.807 1.00 0.00 C ATOM 589 O GLU A 41 -8.821 -11.141 -1.881 1.00 0.00 O ATOM 590 CB GLU A 41 -7.958 -8.427 -0.069 1.00 0.00 C ATOM 591 CG GLU A 41 -6.674 -8.778 -0.825 1.00 0.00 C ATOM 592 CD GLU A 41 -5.606 -9.318 0.129 1.00 0.00 C ATOM 593 OE1 GLU A 41 -4.569 -8.669 0.331 1.00 0.00 O ATOM 594 OE2 GLU A 41 -5.885 -10.455 0.671 1.00 0.00 O ATOM 0 H GLU A 41 -10.264 -8.123 0.789 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.238 -8.674 -1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.079 -7.344 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.883 -8.773 0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.891 -9.521 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.296 -7.893 -1.337 1.00 0.00 H new ATOM 600 N SER A 42 -9.165 -11.212 0.352 1.00 0.00 N ATOM 601 CA SER A 42 -9.054 -12.657 0.436 1.00 0.00 C ATOM 602 C SER A 42 -10.028 -13.315 -0.543 1.00 0.00 C ATOM 603 O SER A 42 -9.653 -14.225 -1.280 1.00 0.00 O ATOM 604 CB SER A 42 -9.322 -13.148 1.860 1.00 0.00 C ATOM 605 OG SER A 42 -8.581 -14.327 2.167 1.00 0.00 O ATOM 0 H SER A 42 -9.346 -10.746 1.241 1.00 0.00 H new ATOM 0 HA SER A 42 -8.035 -12.937 0.169 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.063 -12.362 2.569 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.387 -13.347 1.980 1.00 0.00 H new ATOM 0 HG SER A 42 -8.778 -14.608 3.085 1.00 0.00 H new ATOM 610 N MET A 43 -11.259 -12.827 -0.520 1.00 0.00 N ATOM 611 CA MET A 43 -12.290 -13.357 -1.398 1.00 0.00 C ATOM 612 C MET A 43 -11.932 -13.124 -2.867 1.00 0.00 C ATOM 613 O MET A 43 -11.962 -14.054 -3.672 1.00 0.00 O ATOM 614 CB MET A 43 -13.625 -12.679 -1.083 1.00 0.00 C ATOM 615 CG MET A 43 -14.222 -13.220 0.218 1.00 0.00 C ATOM 616 SD MET A 43 -15.993 -13.384 0.056 1.00 0.00 S ATOM 617 CE MET A 43 -16.340 -14.413 1.472 1.00 0.00 C ATOM 0 H MET A 43 -11.566 -12.071 0.092 1.00 0.00 H new ATOM 0 HA MET A 43 -12.369 -14.431 -1.229 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.479 -11.602 -1.000 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.323 -12.844 -1.904 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.779 -14.187 0.456 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.985 -12.549 1.043 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.410 -14.614 1.522 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.798 -15.354 1.379 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.024 -13.900 2.381 1.00 0.00 H new ATOM 625 N GLY A 44 -11.604 -11.877 -3.171 1.00 0.00 N ATOM 626 CA GLY A 44 -11.241 -11.510 -4.530 1.00 0.00 C ATOM 627 C GLY A 44 -12.371 -10.733 -5.208 1.00 0.00 C ATOM 628 O GLY A 44 -12.739 -11.031 -6.344 1.00 0.00 O ATOM 0 H GLY A 44 -11.582 -11.108 -2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.335 -10.904 -4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.016 -12.408 -5.105 1.00 0.00 H new ATOM 632 N LYS A 45 -12.890 -9.753 -4.484 1.00 0.00 N ATOM 633 CA LYS A 45 -13.971 -8.931 -5.002 1.00 0.00 C ATOM 634 C LYS A 45 -13.406 -7.587 -5.467 1.00 0.00 C ATOM 635 O LYS A 45 -13.580 -7.204 -6.623 1.00 0.00 O ATOM 636 CB LYS A 45 -15.089 -8.803 -3.966 1.00 0.00 C ATOM 637 CG LYS A 45 -15.195 -10.067 -3.112 1.00 0.00 C ATOM 638 CD LYS A 45 -15.647 -11.262 -3.955 1.00 0.00 C ATOM 639 CE LYS A 45 -16.828 -11.980 -3.297 1.00 0.00 C ATOM 640 NZ LYS A 45 -18.063 -11.176 -3.432 1.00 0.00 N ATOM 0 H LYS A 45 -12.582 -9.509 -3.543 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.426 -9.404 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.898 -7.942 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.038 -8.621 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.229 -10.284 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.902 -9.903 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.932 -10.922 -4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.818 -11.958 -4.081 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.971 -12.957 -3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.614 -12.154 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.855 -11.677 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.929 -10.254 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.275 -11.031 -4.440 1.00 0.00 H new ATOM 649 N ALA A 46 -12.742 -6.909 -4.543 1.00 0.00 N ATOM 650 CA ALA A 46 -12.151 -5.616 -4.845 1.00 0.00 C ATOM 651 C ALA A 46 -10.692 -5.812 -5.261 1.00 0.00 C ATOM 652 O ALA A 46 -10.149 -6.909 -5.138 1.00 0.00 O ATOM 653 CB ALA A 46 -12.293 -4.694 -3.631 1.00 0.00 C ATOM 0 H ALA A 46 -12.600 -7.230 -3.585 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.670 -5.141 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.850 -3.724 -3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.349 -4.564 -3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.781 -5.136 -2.776 1.00 0.00 H new ATOM 659 N VAL A 47 -10.097 -4.731 -5.744 1.00 0.00 N ATOM 660 CA VAL A 47 -8.711 -4.770 -6.179 1.00 0.00 C ATOM 661 C VAL A 47 -7.918 -3.692 -5.438 1.00 0.00 C ATOM 662 O VAL A 47 -8.487 -2.702 -4.980 1.00 0.00 O ATOM 663 CB VAL A 47 -8.637 -4.628 -7.700 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.284 -5.827 -8.396 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.275 -3.316 -8.161 1.00 0.00 C ATOM 0 H VAL A 47 -10.550 -3.822 -5.844 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.260 -5.731 -5.933 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.584 -4.605 -7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.217 -5.700 -9.477 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.765 -6.740 -8.105 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.332 -5.896 -8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.209 -3.241 -9.246 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.322 -3.295 -7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.749 -2.476 -7.706 1.00 0.00 H new ATOM 675 N ARG A 48 -6.617 -3.919 -5.342 1.00 0.00 N ATOM 676 CA ARG A 48 -5.739 -2.979 -4.665 1.00 0.00 C ATOM 677 C ARG A 48 -5.184 -1.960 -5.661 1.00 0.00 C ATOM 678 O ARG A 48 -4.787 -2.320 -6.768 1.00 0.00 O ATOM 679 CB ARG A 48 -4.577 -3.704 -3.985 1.00 0.00 C ATOM 680 CG ARG A 48 -3.906 -2.806 -2.943 1.00 0.00 C ATOM 681 CD ARG A 48 -2.975 -3.617 -2.039 1.00 0.00 C ATOM 682 NE ARG A 48 -1.720 -2.868 -1.805 1.00 0.00 N ATOM 683 CZ ARG A 48 -0.599 -3.414 -1.285 1.00 0.00 C ATOM 684 NH1 ARG A 48 -0.568 -4.719 -0.942 1.00 0.00 N ATOM 685 NH2 ARG A 48 0.466 -2.652 -1.119 1.00 0.00 N ATOM 0 H ARG A 48 -6.148 -4.741 -5.722 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.326 -2.465 -3.904 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.941 -4.613 -3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.845 -4.008 -4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.339 -2.021 -3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.667 -2.313 -2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.467 -3.825 -1.089 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.754 -4.579 -2.500 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.700 -1.878 -2.052 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.395 -5.301 -1.075 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.283 -5.123 -0.550 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.434 -1.667 -1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.321 -3.048 -0.728 1.00 0.00 H new ATOM 695 N ILE A 49 -5.172 -0.707 -5.232 1.00 0.00 N ATOM 696 CA ILE A 49 -4.672 0.368 -6.072 1.00 0.00 C ATOM 697 C ILE A 49 -3.474 1.030 -5.386 1.00 0.00 C ATOM 698 O ILE A 49 -3.375 1.024 -4.160 1.00 0.00 O ATOM 699 CB ILE A 49 -5.796 1.344 -6.422 1.00 0.00 C ATOM 700 CG1 ILE A 49 -6.913 0.639 -7.196 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.254 2.559 -7.176 1.00 0.00 C ATOM 702 CD1 ILE A 49 -6.406 0.136 -8.549 1.00 0.00 C ATOM 0 H ILE A 49 -5.501 -0.412 -4.313 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.318 -0.027 -7.024 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.231 1.711 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.293 -0.199 -6.611 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.746 1.326 -7.348 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.075 3.236 -7.412 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.524 3.077 -6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.777 2.231 -8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.218 -0.361 -9.080 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.049 0.979 -9.140 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.590 -0.569 -8.392 1.00 0.00 H new ATOM 713 N GLN A 50 -2.595 1.584 -6.207 1.00 0.00 N ATOM 714 CA GLN A 50 -1.408 2.248 -5.695 1.00 0.00 C ATOM 715 C GLN A 50 -1.387 3.713 -6.140 1.00 0.00 C ATOM 716 O GLN A 50 -1.903 4.049 -7.205 1.00 0.00 O ATOM 717 CB GLN A 50 -0.137 1.522 -6.141 1.00 0.00 C ATOM 718 CG GLN A 50 1.113 2.292 -5.712 1.00 0.00 C ATOM 719 CD GLN A 50 2.292 1.343 -5.489 1.00 0.00 C ATOM 720 OE1 GLN A 50 2.237 0.420 -4.693 1.00 0.00 O ATOM 721 NE2 GLN A 50 3.359 1.621 -6.234 1.00 0.00 N ATOM 0 H GLN A 50 -2.681 1.587 -7.223 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.440 2.218 -4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.117 0.520 -5.712 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.142 1.405 -7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.372 3.026 -6.475 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.907 2.844 -4.795 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.338 2.409 -6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.198 1.046 -6.158 1.00 0.00 H new ATOM 728 N GLU A 51 -0.783 4.544 -5.302 1.00 0.00 N ATOM 729 CA GLU A 51 -0.687 5.964 -5.596 1.00 0.00 C ATOM 730 C GLU A 51 0.713 6.307 -6.105 1.00 0.00 C ATOM 731 O GLU A 51 1.611 5.466 -6.078 1.00 0.00 O ATOM 732 CB GLU A 51 -1.044 6.802 -4.368 1.00 0.00 C ATOM 733 CG GLU A 51 -2.440 7.413 -4.508 1.00 0.00 C ATOM 734 CD GLU A 51 -2.487 8.818 -3.900 1.00 0.00 C ATOM 735 OE1 GLU A 51 -2.880 8.975 -2.735 1.00 0.00 O ATOM 736 OE2 GLU A 51 -2.097 9.764 -4.686 1.00 0.00 O ATOM 0 H GLU A 51 -0.356 4.261 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.406 6.203 -6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.004 6.179 -3.474 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.307 7.595 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.717 7.459 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.172 6.774 -4.014 1.00 0.00 H new ATOM 742 N GLU A 52 0.857 7.543 -6.560 1.00 0.00 N ATOM 743 CA GLU A 52 2.134 8.008 -7.075 1.00 0.00 C ATOM 744 C GLU A 52 3.282 7.446 -6.234 1.00 0.00 C ATOM 745 O GLU A 52 3.563 7.948 -5.147 1.00 0.00 O ATOM 746 CB GLU A 52 2.183 9.536 -7.119 1.00 0.00 C ATOM 747 CG GLU A 52 1.650 10.064 -8.452 1.00 0.00 C ATOM 748 CD GLU A 52 2.357 11.361 -8.852 1.00 0.00 C ATOM 749 OE1 GLU A 52 2.989 11.419 -9.917 1.00 0.00 O ATOM 750 OE2 GLU A 52 2.231 12.331 -8.011 1.00 0.00 O ATOM 0 H GLU A 52 0.110 8.237 -6.583 1.00 0.00 H new ATOM 0 HA GLU A 52 2.246 7.644 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.593 9.946 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.209 9.875 -6.974 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.795 9.313 -9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.577 10.240 -8.374 1.00 0.00 H new ATOM 756 N PRO A 53 3.930 6.383 -6.783 1.00 0.00 N ATOM 757 CA PRO A 53 5.041 5.749 -6.096 1.00 0.00 C ATOM 758 C PRO A 53 6.304 6.608 -6.183 1.00 0.00 C ATOM 759 O PRO A 53 6.229 7.799 -6.482 1.00 0.00 O ATOM 760 CB PRO A 53 5.197 4.394 -6.769 1.00 0.00 C ATOM 761 CG PRO A 53 4.480 4.507 -8.104 1.00 0.00 C ATOM 762 CD PRO A 53 3.624 5.763 -8.069 1.00 0.00 C ATOM 0 HA PRO A 53 4.862 5.631 -5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.249 4.147 -6.910 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.763 3.602 -6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.200 4.558 -8.921 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.860 3.628 -8.280 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.864 6.429 -8.897 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.564 5.522 -8.151 1.00 0.00 H new ATOM 767 N ASP A 54 7.434 5.971 -5.916 1.00 0.00 N ATOM 768 CA ASP A 54 8.711 6.663 -5.960 1.00 0.00 C ATOM 769 C ASP A 54 9.594 6.028 -7.036 1.00 0.00 C ATOM 770 O ASP A 54 9.349 4.899 -7.459 1.00 0.00 O ATOM 771 CB ASP A 54 9.444 6.552 -4.622 1.00 0.00 C ATOM 772 CG ASP A 54 10.095 7.847 -4.131 1.00 0.00 C ATOM 773 OD1 ASP A 54 10.916 8.454 -4.834 1.00 0.00 O ATOM 774 OD2 ASP A 54 9.723 8.233 -2.958 1.00 0.00 O ATOM 0 H ASP A 54 7.492 4.983 -5.668 1.00 0.00 H new ATOM 0 HA ASP A 54 8.518 7.713 -6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.738 6.209 -3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.215 5.786 -4.710 1.00 0.00 H new ATOM 779 N GLY A 55 10.601 6.782 -7.451 1.00 0.00 N ATOM 780 CA GLY A 55 11.522 6.306 -8.470 1.00 0.00 C ATOM 781 C GLY A 55 12.481 7.417 -8.904 1.00 0.00 C ATOM 782 O GLY A 55 12.049 8.454 -9.405 1.00 0.00 O ATOM 0 H GLY A 55 10.800 7.719 -7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 55 12.091 5.460 -8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.961 5.947 -9.333 1.00 0.00 H new ATOM 786 N CYS A 56 13.764 7.161 -8.697 1.00 0.00 N ATOM 787 CA CYS A 56 14.787 8.127 -9.060 1.00 0.00 C ATOM 788 C CYS A 56 15.160 7.902 -10.527 1.00 0.00 C ATOM 789 O CYS A 56 14.822 6.871 -11.105 1.00 0.00 O ATOM 790 CB CYS A 56 16.006 8.033 -8.140 1.00 0.00 C ATOM 791 SG CYS A 56 16.193 9.583 -7.187 1.00 0.00 S ATOM 0 H CYS A 56 14.119 6.299 -8.283 1.00 0.00 H new ATOM 0 HA CYS A 56 14.398 9.137 -8.936 1.00 0.00 H new ATOM 0 HB2 CYS A 56 15.894 7.189 -7.459 1.00 0.00 H new ATOM 0 HB3 CYS A 56 16.904 7.849 -8.730 1.00 0.00 H new ATOM 0 HG CYS A 56 17.230 9.491 -6.408 1.00 0.00 H new ATOM 796 N LEU A 57 15.851 8.885 -11.085 1.00 0.00 N ATOM 797 CA LEU A 57 16.274 8.806 -12.473 1.00 0.00 C ATOM 798 C LEU A 57 17.739 8.370 -12.532 1.00 0.00 C ATOM 799 O LEU A 57 18.611 9.036 -11.975 1.00 0.00 O ATOM 800 CB LEU A 57 15.996 10.127 -13.193 1.00 0.00 C ATOM 801 CG LEU A 57 15.131 10.037 -14.452 1.00 0.00 C ATOM 802 CD1 LEU A 57 15.818 9.197 -15.530 1.00 0.00 C ATOM 803 CD2 LEU A 57 13.733 9.511 -14.120 1.00 0.00 C ATOM 0 H LEU A 57 16.128 9.739 -10.602 1.00 0.00 H new ATOM 0 HA LEU A 57 15.695 8.051 -13.005 1.00 0.00 H new ATOM 0 HB2 LEU A 57 15.511 10.805 -12.491 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.951 10.578 -13.464 1.00 0.00 H new ATOM 0 HG LEU A 57 15.010 11.042 -14.856 1.00 0.00 H new ATOM 0 HD11 LEU A 57 15.182 9.149 -16.414 1.00 0.00 H new ATOM 0 HD12 LEU A 57 16.772 9.653 -15.794 1.00 0.00 H new ATOM 0 HD13 LEU A 57 15.990 8.189 -15.152 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.139 9.457 -15.032 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.813 8.517 -13.680 1.00 0.00 H new ATOM 0 HD23 LEU A 57 13.250 10.184 -13.412 1.00 0.00 H new ATOM 814 N SER A 58 17.965 7.257 -13.212 1.00 0.00 N ATOM 815 CA SER A 58 19.311 6.725 -13.352 1.00 0.00 C ATOM 816 C SER A 58 19.873 6.360 -11.976 1.00 0.00 C ATOM 817 O SER A 58 19.970 7.213 -11.095 1.00 0.00 O ATOM 818 CB SER A 58 20.229 7.726 -14.053 1.00 0.00 C ATOM 819 OG SER A 58 21.274 7.078 -14.774 1.00 0.00 O ATOM 0 H SER A 58 17.239 6.708 -13.673 1.00 0.00 H new ATOM 0 HA SER A 58 19.263 5.827 -13.968 1.00 0.00 H new ATOM 0 HB2 SER A 58 19.642 8.338 -14.737 1.00 0.00 H new ATOM 0 HB3 SER A 58 20.662 8.400 -13.314 1.00 0.00 H new ATOM 0 HG SER A 58 21.838 7.751 -15.209 1.00 0.00 H new ATOM 824 N GLY A 59 20.231 5.092 -11.836 1.00 0.00 N ATOM 825 CA GLY A 59 20.782 4.605 -10.583 1.00 0.00 C ATOM 826 C GLY A 59 20.272 3.197 -10.270 1.00 0.00 C ATOM 827 O GLY A 59 19.098 2.895 -10.489 1.00 0.00 O ATOM 0 H GLY A 59 20.150 4.388 -12.569 1.00 0.00 H new ATOM 0 HA2 GLY A 59 21.871 4.597 -10.639 1.00 0.00 H new ATOM 0 HA3 GLY A 59 20.509 5.283 -9.774 1.00 0.00 H new ATOM 831 N SER A 60 21.176 2.372 -9.764 1.00 0.00 N ATOM 832 CA SER A 60 20.831 1.003 -9.419 1.00 0.00 C ATOM 833 C SER A 60 21.054 0.769 -7.923 1.00 0.00 C ATOM 834 O SER A 60 22.124 1.067 -7.397 1.00 0.00 O ATOM 835 CB SER A 60 21.650 0.005 -10.240 1.00 0.00 C ATOM 836 OG SER A 60 21.482 -1.332 -9.778 1.00 0.00 O ATOM 0 H SER A 60 22.148 2.625 -9.584 1.00 0.00 H new ATOM 0 HA SER A 60 19.778 0.846 -9.652 1.00 0.00 H new ATOM 0 HB2 SER A 60 21.353 0.067 -11.287 1.00 0.00 H new ATOM 0 HB3 SER A 60 22.705 0.275 -10.192 1.00 0.00 H new ATOM 0 HG SER A 60 22.020 -1.938 -10.329 1.00 0.00 H new ATOM 841 N CYS A 61 20.025 0.236 -7.281 1.00 0.00 N ATOM 842 CA CYS A 61 20.094 -0.042 -5.857 1.00 0.00 C ATOM 843 C CYS A 61 21.009 -1.250 -5.647 1.00 0.00 C ATOM 844 O CYS A 61 22.096 -1.120 -5.086 1.00 0.00 O ATOM 845 CB CYS A 61 18.705 -0.267 -5.255 1.00 0.00 C ATOM 846 SG CYS A 61 18.667 0.331 -3.526 1.00 0.00 S ATOM 0 H CYS A 61 19.139 -0.011 -7.721 1.00 0.00 H new ATOM 0 HA CYS A 61 20.508 0.821 -5.336 1.00 0.00 H new ATOM 0 HB2 CYS A 61 17.954 0.257 -5.846 1.00 0.00 H new ATOM 0 HB3 CYS A 61 18.453 -1.327 -5.287 1.00 0.00 H new ATOM 0 HG CYS A 61 17.483 0.137 -3.026 1.00 0.00 H new ATOM 851 N LYS A 62 20.536 -2.397 -6.110 1.00 0.00 N ATOM 852 CA LYS A 62 21.298 -3.628 -5.980 1.00 0.00 C ATOM 853 C LYS A 62 20.623 -4.730 -6.798 1.00 0.00 C ATOM 854 O LYS A 62 21.210 -5.254 -7.744 1.00 0.00 O ATOM 855 CB LYS A 62 21.489 -3.988 -4.504 1.00 0.00 C ATOM 856 CG LYS A 62 22.712 -4.887 -4.313 1.00 0.00 C ATOM 857 CD LYS A 62 22.307 -6.362 -4.278 1.00 0.00 C ATOM 858 CE LYS A 62 22.692 -7.067 -5.580 1.00 0.00 C ATOM 859 NZ LYS A 62 23.435 -8.314 -5.294 1.00 0.00 N ATOM 0 H LYS A 62 19.635 -2.501 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 62 22.301 -3.498 -6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.607 -3.078 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 62 20.599 -4.495 -4.131 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.421 -4.720 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 62 23.220 -4.623 -3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 62 22.791 -6.856 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 62 21.232 -6.444 -4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.795 -7.295 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 62 23.304 -6.404 -6.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 23.689 -8.780 -6.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 24.301 -8.088 -4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 22.839 -8.951 -4.729 1.00 0.00 H new ATOM 868 N SER A 63 19.399 -5.049 -6.406 1.00 0.00 N ATOM 869 CA SER A 63 18.637 -6.079 -7.092 1.00 0.00 C ATOM 870 C SER A 63 17.143 -5.897 -6.816 1.00 0.00 C ATOM 871 O SER A 63 16.352 -5.731 -7.743 1.00 0.00 O ATOM 872 CB SER A 63 19.090 -7.476 -6.664 1.00 0.00 C ATOM 873 OG SER A 63 19.683 -8.198 -7.741 1.00 0.00 O ATOM 0 H SER A 63 18.915 -4.612 -5.621 1.00 0.00 H new ATOM 0 HA SER A 63 18.816 -5.981 -8.163 1.00 0.00 H new ATOM 0 HB2 SER A 63 19.806 -7.390 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 63 18.235 -8.033 -6.281 1.00 0.00 H new ATOM 0 HG SER A 63 19.961 -9.084 -7.427 1.00 0.00 H new ATOM 878 N CYS A 64 16.802 -5.937 -5.536 1.00 0.00 N ATOM 879 CA CYS A 64 15.417 -5.777 -5.126 1.00 0.00 C ATOM 880 C CYS A 64 15.367 -4.755 -3.989 1.00 0.00 C ATOM 881 O CYS A 64 16.360 -4.544 -3.295 1.00 0.00 O ATOM 882 CB CYS A 64 14.791 -7.113 -4.719 1.00 0.00 C ATOM 883 SG CYS A 64 15.631 -7.772 -3.233 1.00 0.00 S ATOM 0 H CYS A 64 17.460 -6.078 -4.770 1.00 0.00 H new ATOM 0 HA CYS A 64 14.826 -5.413 -5.966 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.728 -6.979 -4.517 1.00 0.00 H new ATOM 0 HB3 CYS A 64 14.872 -7.827 -5.539 1.00 0.00 H new ATOM 0 HG CYS A 64 15.090 -8.905 -2.895 1.00 0.00 H new ATOM 888 N PRO A 65 14.169 -4.131 -3.830 1.00 0.00 N ATOM 889 CA PRO A 65 13.976 -3.135 -2.790 1.00 0.00 C ATOM 890 C PRO A 65 13.854 -3.795 -1.415 1.00 0.00 C ATOM 891 O PRO A 65 14.237 -4.951 -1.241 1.00 0.00 O ATOM 892 CB PRO A 65 12.723 -2.376 -3.198 1.00 0.00 C ATOM 893 CG PRO A 65 12.002 -3.269 -4.195 1.00 0.00 C ATOM 894 CD PRO A 65 12.971 -4.355 -4.634 1.00 0.00 C ATOM 0 HA PRO A 65 14.823 -2.456 -2.696 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.093 -2.168 -2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.977 -1.415 -3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.115 -3.710 -3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.665 -2.688 -5.054 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.558 -5.348 -4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 65 13.190 -4.283 -5.699 1.00 0.00 H new ATOM 899 N GLU A 66 13.318 -3.032 -0.473 1.00 0.00 N ATOM 900 CA GLU A 66 13.139 -3.529 0.880 1.00 0.00 C ATOM 901 C GLU A 66 11.658 -3.513 1.262 1.00 0.00 C ATOM 902 O GLU A 66 10.791 -3.667 0.403 1.00 0.00 O ATOM 903 CB GLU A 66 13.971 -2.717 1.876 1.00 0.00 C ATOM 904 CG GLU A 66 13.390 -1.314 2.059 1.00 0.00 C ATOM 905 CD GLU A 66 14.212 -0.276 1.289 1.00 0.00 C ATOM 906 OE1 GLU A 66 14.775 -0.593 0.231 1.00 0.00 O ATOM 907 OE2 GLU A 66 14.252 0.895 1.828 1.00 0.00 O ATOM 0 H GLU A 66 13.002 -2.073 -0.621 1.00 0.00 H new ATOM 0 HA GLU A 66 13.491 -4.560 0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.999 -3.231 2.837 1.00 0.00 H new ATOM 0 HB3 GLU A 66 15.000 -2.645 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.357 -1.296 1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.374 -1.058 3.118 1.00 0.00 H new ATOM 913 N GLY A 67 11.413 -3.323 2.550 1.00 0.00 N ATOM 914 CA GLY A 67 10.052 -3.285 3.055 1.00 0.00 C ATOM 915 C GLY A 67 9.598 -1.845 3.300 1.00 0.00 C ATOM 916 O GLY A 67 9.325 -1.106 2.355 1.00 0.00 O ATOM 0 H GLY A 67 12.135 -3.194 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.382 -3.765 2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.989 -3.853 3.983 1.00 0.00 H new ATOM 920 N LYS A 68 9.533 -1.487 4.574 1.00 0.00 N ATOM 921 CA LYS A 68 9.118 -0.148 4.956 1.00 0.00 C ATOM 922 C LYS A 68 7.666 0.073 4.526 1.00 0.00 C ATOM 923 O LYS A 68 7.218 -0.492 3.529 1.00 0.00 O ATOM 924 CB LYS A 68 10.091 0.893 4.399 1.00 0.00 C ATOM 925 CG LYS A 68 11.489 0.711 4.993 1.00 0.00 C ATOM 926 CD LYS A 68 11.578 1.335 6.387 1.00 0.00 C ATOM 927 CE LYS A 68 11.391 2.852 6.322 1.00 0.00 C ATOM 928 NZ LYS A 68 12.565 3.545 6.897 1.00 0.00 N ATOM 0 H LYS A 68 9.761 -2.102 5.355 1.00 0.00 H new ATOM 0 HA LYS A 68 9.150 -0.033 6.039 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.139 0.807 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.725 1.895 4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.728 -0.351 5.050 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.229 1.170 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.817 0.899 7.034 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.546 1.103 6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.249 3.163 5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.491 3.137 6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.421 4.574 6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.683 3.262 7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.418 3.287 6.360 1.00 0.00 H new ATOM 937 N ALA A 69 6.973 0.896 5.298 1.00 0.00 N ATOM 938 CA ALA A 69 5.581 1.200 5.009 1.00 0.00 C ATOM 939 C ALA A 69 5.408 1.390 3.501 1.00 0.00 C ATOM 940 O ALA A 69 6.261 1.987 2.846 1.00 0.00 O ATOM 941 CB ALA A 69 5.150 2.431 5.806 1.00 0.00 C ATOM 0 H ALA A 69 7.349 1.362 6.124 1.00 0.00 H new ATOM 0 HA ALA A 69 4.937 0.375 5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.106 2.658 5.589 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.264 2.233 6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.772 3.281 5.527 1.00 0.00 H new ATOM 947 N CYS A 70 4.298 0.874 2.995 1.00 0.00 N ATOM 948 CA CYS A 70 4.002 0.981 1.575 1.00 0.00 C ATOM 949 C CYS A 70 3.208 2.268 1.347 1.00 0.00 C ATOM 950 O CYS A 70 2.602 2.802 2.275 1.00 0.00 O ATOM 951 CB CYS A 70 3.255 -0.250 1.060 1.00 0.00 C ATOM 952 SG CYS A 70 1.621 -0.378 1.874 1.00 0.00 S ATOM 0 H CYS A 70 3.592 0.381 3.542 1.00 0.00 H new ATOM 0 HA CYS A 70 4.932 1.024 1.008 1.00 0.00 H new ATOM 0 HB2 CYS A 70 3.128 -0.182 -0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 70 3.840 -1.149 1.257 1.00 0.00 H new ATOM 0 HG CYS A 70 0.995 -1.426 1.427 1.00 0.00 H new ATOM 957 N LEU A 71 3.236 2.730 0.105 1.00 0.00 N ATOM 958 CA LEU A 71 2.525 3.945 -0.258 1.00 0.00 C ATOM 959 C LEU A 71 1.042 3.782 0.077 1.00 0.00 C ATOM 960 O LEU A 71 0.560 2.664 0.253 1.00 0.00 O ATOM 961 CB LEU A 71 2.789 4.301 -1.722 1.00 0.00 C ATOM 962 CG LEU A 71 4.040 5.139 -1.994 1.00 0.00 C ATOM 963 CD1 LEU A 71 3.914 6.530 -1.370 1.00 0.00 C ATOM 964 CD2 LEU A 71 5.300 4.412 -1.523 1.00 0.00 C ATOM 0 H LEU A 71 3.740 2.285 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 71 2.892 4.790 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.865 3.375 -2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.924 4.841 -2.106 1.00 0.00 H new ATOM 0 HG LEU A 71 4.132 5.276 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.816 7.105 -1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.051 7.043 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.785 6.435 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.174 5.029 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.232 4.223 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.393 3.464 -2.053 1.00 0.00 H new ATOM 975 N ARG A 72 0.359 4.914 0.158 1.00 0.00 N ATOM 976 CA ARG A 72 -1.060 4.912 0.469 1.00 0.00 C ATOM 977 C ARG A 72 -1.836 4.134 -0.595 1.00 0.00 C ATOM 978 O ARG A 72 -2.316 4.715 -1.567 1.00 0.00 O ATOM 979 CB ARG A 72 -1.609 6.338 0.550 1.00 0.00 C ATOM 980 CG ARG A 72 -1.562 6.864 1.986 1.00 0.00 C ATOM 981 CD ARG A 72 -2.965 7.218 2.486 1.00 0.00 C ATOM 982 NE ARG A 72 -2.905 8.416 3.354 1.00 0.00 N ATOM 983 CZ ARG A 72 -3.915 8.823 4.151 1.00 0.00 C ATOM 984 NH1 ARG A 72 -5.073 8.130 4.198 1.00 0.00 N ATOM 985 NH2 ARG A 72 -3.753 9.909 4.885 1.00 0.00 N ATOM 0 H ARG A 72 0.762 5.840 0.014 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.185 4.431 1.439 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.028 6.992 -0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.636 6.357 0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.118 6.112 2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.922 7.745 2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.626 7.405 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.386 6.378 3.039 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.047 8.968 3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.189 7.292 3.628 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.831 8.445 4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.875 10.426 4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.506 10.231 5.493 1.00 0.00 H new ATOM 995 N GLU A 73 -1.935 2.831 -0.375 1.00 0.00 N ATOM 996 CA GLU A 73 -2.645 1.967 -1.304 1.00 0.00 C ATOM 997 C GLU A 73 -4.136 2.309 -1.312 1.00 0.00 C ATOM 998 O GLU A 73 -4.735 2.519 -0.258 1.00 0.00 O ATOM 999 CB GLU A 73 -2.421 0.493 -0.961 1.00 0.00 C ATOM 1000 CG GLU A 73 -3.064 0.139 0.381 1.00 0.00 C ATOM 1001 CD GLU A 73 -2.108 -0.685 1.246 1.00 0.00 C ATOM 1002 OE1 GLU A 73 -1.624 -0.193 2.276 1.00 0.00 O ATOM 1003 OE2 GLU A 73 -1.873 -1.878 0.814 1.00 0.00 O ATOM 0 H GLU A 73 -1.536 2.353 0.433 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.248 2.137 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.841 -0.135 -1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.352 0.283 -0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.341 1.052 0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.983 -0.423 0.211 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.694 2.354 -2.513 1.00 0.00 N ATOM 1010 CA TRP A 74 -6.104 2.666 -2.672 1.00 0.00 C ATOM 1011 C TRP A 74 -6.858 1.352 -2.893 1.00 0.00 C ATOM 1012 O TRP A 74 -6.242 0.307 -3.097 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.318 3.675 -3.802 1.00 0.00 C ATOM 1014 CG TRP A 74 -6.073 5.128 -3.393 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.911 5.622 -2.157 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -5.968 6.265 -4.277 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.710 6.987 -2.181 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.745 7.390 -3.511 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.057 6.338 -5.678 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.594 8.670 -4.055 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -5.904 7.625 -6.207 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.680 8.768 -5.449 1.00 0.00 C ATOM 0 H TRP A 74 -4.195 2.180 -3.385 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.496 3.145 -1.775 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.654 3.424 -4.630 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.339 3.580 -4.172 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.935 5.027 -1.256 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.563 7.590 -1.371 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.230 5.470 -6.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.420 9.536 -3.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -5.964 7.738 -7.279 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.573 9.727 -5.933 1.00 0.00 H new ATOM 1032 N TRP A 75 -8.178 1.448 -2.845 1.00 0.00 N ATOM 1033 CA TRP A 75 -9.021 0.281 -3.037 1.00 0.00 C ATOM 1034 C TRP A 75 -10.138 0.660 -4.011 1.00 0.00 C ATOM 1035 O TRP A 75 -10.580 1.808 -4.038 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.546 -0.242 -1.699 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.456 -0.777 -0.768 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.765 -0.105 0.164 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -7.957 -2.129 -0.717 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.861 -0.924 0.809 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -6.980 -2.194 0.257 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.317 -3.262 -1.468 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -6.285 -3.368 0.569 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.613 -4.428 -1.144 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.628 -4.508 -0.167 1.00 0.00 C ATOM 0 H TRP A 75 -8.685 2.317 -2.676 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.449 -0.542 -3.466 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -10.081 0.561 -1.192 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.268 -1.036 -1.889 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.899 0.944 0.382 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -6.222 -0.648 1.555 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -9.077 -3.235 -2.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.525 -3.393 1.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.852 -5.328 -1.691 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.129 -5.447 0.024 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.563 -0.326 -4.787 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.620 -0.110 -5.761 1.00 0.00 C ATOM 1057 C ALA A 76 -12.313 -1.442 -6.057 1.00 0.00 C ATOM 1058 O ALA A 76 -11.865 -2.493 -5.605 1.00 0.00 O ATOM 1059 CB ALA A 76 -11.033 0.534 -7.018 1.00 0.00 C ATOM 0 H ALA A 76 -10.195 -1.277 -4.761 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.372 0.573 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.826 0.696 -7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.578 1.490 -6.759 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.276 -0.124 -7.444 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.396 -1.352 -6.815 1.00 0.00 N ATOM 1066 CA LEU A 77 -14.156 -2.536 -7.178 1.00 0.00 C ATOM 1067 C LEU A 77 -13.556 -3.155 -8.441 1.00 0.00 C ATOM 1068 O LEU A 77 -12.902 -2.467 -9.224 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.643 -2.200 -7.304 1.00 0.00 C ATOM 1070 CG LEU A 77 -16.230 -1.327 -6.194 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.548 -0.689 -6.637 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -16.387 -2.120 -4.895 1.00 0.00 C ATOM 0 H LEU A 77 -13.765 -0.477 -7.188 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.088 -3.288 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.802 -1.696 -8.257 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -16.204 -3.134 -7.340 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.530 -0.516 -5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.944 -0.074 -5.829 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.374 -0.067 -7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.266 -1.471 -6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.806 -1.475 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.054 -2.965 -5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -15.412 -2.486 -4.572 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.800 -4.448 -8.602 1.00 0.00 N ATOM 1084 CA ARG A 78 -13.292 -5.168 -9.757 1.00 0.00 C ATOM 1085 C ARG A 78 -14.228 -4.980 -10.953 1.00 0.00 C ATOM 1086 O ARG A 78 -15.278 -4.352 -10.831 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.150 -6.661 -9.458 1.00 0.00 C ATOM 1088 CG ARG A 78 -12.696 -7.429 -10.701 1.00 0.00 C ATOM 1089 CD ARG A 78 -11.210 -7.191 -10.981 1.00 0.00 C ATOM 1090 NE ARG A 78 -10.960 -7.216 -12.439 1.00 0.00 N ATOM 1091 CZ ARG A 78 -10.755 -8.344 -13.153 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -10.769 -9.550 -12.547 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -10.540 -8.249 -14.451 1.00 0.00 N ATOM 0 H ARG A 78 -14.343 -5.015 -7.951 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.308 -4.763 -9.994 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.430 -6.807 -8.653 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.103 -7.058 -9.109 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.877 -8.495 -10.561 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.287 -7.116 -11.562 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.903 -6.230 -10.567 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.611 -7.957 -10.488 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.941 -6.326 -12.936 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.935 -9.614 -11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.613 -10.397 -13.093 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.530 -7.334 -14.901 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.383 -9.091 -15.005 1.00 0.00 H new TER 1103 ARG A 78