USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 580 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 1 MET CE :methyl -173:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 TYR OH : rot 110:sc= 0.119 USER MOD Set 2.1: A 19 TYR OH : rot 180:sc= 0.433 USER MOD Set 2.2: A 23 LYS NZ :NH3+ -128:sc= 0.455 (180deg=-0.14) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.0155 K(o=-0.016,f=-1.6) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=0.61) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.15) USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= 1.3 (180deg=1.17) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -2.5 K(o=-2.5,f=-3.1!) USER MOD Single : A 29 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.034) USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= -0.0168 (180deg=-0.165) USER MOD Single : A 33 SER OG : rot 69:sc= 1.21 USER MOD Single : A 35 SER OG : rot 61:sc= 1.23 USER MOD Single : A 36 GLN : amide:sc= -0.383 K(o=-0.38,f=-2.2) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 49 LYS NZ :NH3+ -111:sc= 0.316 (180deg=-0.424) USER MOD Single : A 50 THR OG1 : rot 179:sc= 1.07 USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= -0.013 (180deg=-0.15) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= -0.018 (180deg=-0.162) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0792 USER MOD Single : A 60 HIS : no HD1:sc=-0.00117 X(o=-0.0012,f=0) USER MOD Single : A 61 HIS : no HE2:sc= -0.0455 K(o=-0.046,f=-2.2!) USER MOD Single : A 62 HIS : no HD1:sc= -0.0451 X(o=-0.045,f=-0.045) USER MOD Single : A 63 HIS : no HD1:sc= -0.0037 X(o=-0.0037,f=-0.0015) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.120 -6.398 4.010 1.00 0.00 N ATOM 2 CA MET A 1 10.104 -5.335 3.781 1.00 0.00 C ATOM 3 C MET A 1 10.325 -5.150 2.295 1.00 0.00 C ATOM 4 O MET A 1 10.104 -4.070 1.760 1.00 0.00 O ATOM 5 CB MET A 1 11.431 -5.653 4.473 1.00 0.00 C ATOM 6 CG MET A 1 12.412 -4.498 4.468 1.00 0.00 C ATOM 7 SD MET A 1 11.783 -3.073 5.377 1.00 0.00 S ATOM 8 CE MET A 1 13.161 -1.941 5.236 1.00 0.00 C ATOM 0 H1 MET A 1 8.973 -6.520 5.032 1.00 0.00 H new ATOM 0 H2 MET A 1 8.219 -6.140 3.559 1.00 0.00 H new ATOM 0 H3 MET A 1 9.469 -7.288 3.602 1.00 0.00 H new ATOM 0 HA MET A 1 9.714 -4.411 4.207 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.232 -5.945 5.504 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.891 -6.511 3.982 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.355 -4.822 4.909 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.624 -4.207 3.439 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.974 -1.062 5.853 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.073 -2.434 5.573 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.277 -1.637 4.196 1.00 0.00 H new ATOM 20 N ASN A 2 10.756 -6.219 1.636 1.00 0.00 N ATOM 21 CA ASN A 2 10.987 -6.230 0.196 1.00 0.00 C ATOM 22 C ASN A 2 9.712 -5.871 -0.542 1.00 0.00 C ATOM 23 O ASN A 2 8.608 -6.322 -0.157 1.00 0.00 O ATOM 24 CB ASN A 2 11.555 -7.592 -0.255 1.00 0.00 C ATOM 25 CG ASN A 2 12.995 -7.833 0.232 1.00 0.00 C ATOM 26 OD1 ASN A 2 13.424 -7.323 1.282 1.00 0.00 O ATOM 27 ND2 ASN A 2 13.744 -8.614 -0.505 1.00 0.00 N ATOM 0 H ASN A 2 10.957 -7.110 2.090 1.00 0.00 H new ATOM 0 HA ASN A 2 11.734 -5.475 -0.050 1.00 0.00 H new ATOM 0 HB2 ASN A 2 10.913 -8.389 0.119 1.00 0.00 H new ATOM 0 HB3 ASN A 2 11.531 -7.647 -1.343 1.00 0.00 H new ATOM 0 HD21 ASN A 2 14.703 -8.816 -0.222 1.00 0.00 H new ATOM 0 HD22 ASN A 2 13.369 -9.020 -1.362 1.00 0.00 H new ATOM 34 N VAL A 3 9.861 -5.078 -1.596 1.00 0.00 N ATOM 35 CA VAL A 3 8.737 -4.460 -2.306 1.00 0.00 C ATOM 36 C VAL A 3 7.691 -5.441 -2.808 1.00 0.00 C ATOM 37 O VAL A 3 6.533 -5.092 -2.872 1.00 0.00 O ATOM 38 CB VAL A 3 9.182 -3.501 -3.445 1.00 0.00 C ATOM 39 CG1 VAL A 3 9.971 -2.334 -2.880 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.000 -4.228 -4.495 1.00 0.00 C ATOM 0 H VAL A 3 10.772 -4.841 -1.989 1.00 0.00 H new ATOM 0 HA VAL A 3 8.252 -3.861 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 3 8.281 -3.119 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 3 10.274 -1.673 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.349 -1.782 -2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 3 10.857 -2.708 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.294 -3.527 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.892 -4.652 -4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.403 -5.028 -4.932 1.00 0.00 H new ATOM 50 N THR A 4 8.091 -6.665 -3.100 1.00 0.00 N ATOM 51 CA THR A 4 7.168 -7.689 -3.583 1.00 0.00 C ATOM 52 C THR A 4 5.966 -7.881 -2.608 1.00 0.00 C ATOM 53 O THR A 4 4.816 -8.016 -3.032 1.00 0.00 O ATOM 54 CB THR A 4 7.914 -9.042 -3.857 1.00 0.00 C ATOM 55 OG1 THR A 4 7.013 -10.024 -4.382 1.00 0.00 O ATOM 56 CG2 THR A 4 8.580 -9.589 -2.597 1.00 0.00 C ATOM 0 H THR A 4 9.057 -6.981 -3.012 1.00 0.00 H new ATOM 0 HA THR A 4 6.759 -7.343 -4.532 1.00 0.00 H new ATOM 0 HB THR A 4 8.690 -8.831 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.499 -10.859 -4.547 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.085 -10.526 -2.830 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.308 -8.867 -2.227 1.00 0.00 H new ATOM 0 HG23 THR A 4 7.823 -9.765 -1.833 1.00 0.00 H new ATOM 64 N LYS A 5 6.241 -7.819 -1.310 1.00 0.00 N ATOM 65 CA LYS A 5 5.213 -7.967 -0.300 1.00 0.00 C ATOM 66 C LYS A 5 4.412 -6.689 -0.119 1.00 0.00 C ATOM 67 O LYS A 5 3.237 -6.723 0.276 1.00 0.00 O ATOM 68 CB LYS A 5 5.804 -8.454 1.012 1.00 0.00 C ATOM 69 CG LYS A 5 6.277 -9.900 0.969 1.00 0.00 C ATOM 70 CD LYS A 5 5.112 -10.851 0.713 1.00 0.00 C ATOM 71 CE LYS A 5 5.557 -12.300 0.752 1.00 0.00 C ATOM 72 NZ LYS A 5 4.422 -13.233 0.598 1.00 0.00 N ATOM 0 H LYS A 5 7.177 -7.666 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 5 4.515 -8.728 -0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.644 -7.814 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.057 -8.348 1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.026 -10.018 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.759 -10.156 1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.337 -10.687 1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.669 -10.632 -0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.282 -12.478 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.063 -12.498 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.771 -14.212 0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.741 -13.082 1.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.954 -13.062 -0.315 1.00 0.00 H new ATOM 86 N LEU A 6 5.040 -5.570 -0.401 1.00 0.00 N ATOM 87 CA LEU A 6 4.382 -4.287 -0.296 1.00 0.00 C ATOM 88 C LEU A 6 3.396 -4.159 -1.457 1.00 0.00 C ATOM 89 O LEU A 6 2.220 -3.854 -1.252 1.00 0.00 O ATOM 90 CB LEU A 6 5.425 -3.155 -0.304 1.00 0.00 C ATOM 91 CG LEU A 6 4.931 -1.728 0.008 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.210 -1.686 1.346 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.115 -0.776 0.038 1.00 0.00 C ATOM 0 H LEU A 6 6.012 -5.523 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 6 3.835 -4.210 0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.201 -3.408 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.897 -3.140 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 6 4.232 -1.425 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.871 -0.669 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.351 -2.356 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.891 -2.002 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.765 0.233 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.817 -1.093 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.613 -0.784 -0.932 1.00 0.00 H new ATOM 105 N ASN A 7 3.882 -4.476 -2.661 1.00 0.00 N ATOM 106 CA ASN A 7 3.072 -4.473 -3.887 1.00 0.00 C ATOM 107 C ASN A 7 1.885 -5.411 -3.764 1.00 0.00 C ATOM 108 O ASN A 7 0.763 -5.063 -4.142 1.00 0.00 O ATOM 109 CB ASN A 7 3.898 -4.867 -5.134 1.00 0.00 C ATOM 110 CG ASN A 7 4.804 -3.769 -5.673 1.00 0.00 C ATOM 111 OD1 ASN A 7 5.974 -3.652 -5.306 1.00 0.00 O ATOM 112 ND2 ASN A 7 4.279 -2.968 -6.563 1.00 0.00 N ATOM 0 H ASN A 7 4.854 -4.744 -2.815 1.00 0.00 H new ATOM 0 HA ASN A 7 2.717 -3.450 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.510 -5.735 -4.888 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.213 -5.174 -5.924 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.841 -2.222 -6.973 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.307 -3.089 -6.848 1.00 0.00 H new ATOM 119 N ASP A 8 2.139 -6.600 -3.222 1.00 0.00 N ATOM 120 CA ASP A 8 1.097 -7.619 -3.009 1.00 0.00 C ATOM 121 C ASP A 8 -0.065 -7.079 -2.177 1.00 0.00 C ATOM 122 O ASP A 8 -1.234 -7.277 -2.517 1.00 0.00 O ATOM 123 CB ASP A 8 1.690 -8.866 -2.347 1.00 0.00 C ATOM 124 CG ASP A 8 0.639 -9.871 -1.933 1.00 0.00 C ATOM 125 OD1 ASP A 8 -0.010 -10.480 -2.807 1.00 0.00 O ATOM 126 OD2 ASP A 8 0.466 -10.090 -0.714 1.00 0.00 O ATOM 0 H ASP A 8 3.068 -6.890 -2.917 1.00 0.00 H new ATOM 0 HA ASP A 8 0.704 -7.891 -3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.387 -9.341 -3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.264 -8.567 -1.470 1.00 0.00 H new ATOM 131 N ARG A 9 0.255 -6.365 -1.118 1.00 0.00 N ATOM 132 CA ARG A 9 -0.768 -5.782 -0.259 1.00 0.00 C ATOM 133 C ARG A 9 -1.538 -4.664 -0.948 1.00 0.00 C ATOM 134 O ARG A 9 -2.726 -4.477 -0.689 1.00 0.00 O ATOM 135 CB ARG A 9 -0.188 -5.321 1.065 1.00 0.00 C ATOM 136 CG ARG A 9 0.071 -6.453 2.032 1.00 0.00 C ATOM 137 CD ARG A 9 0.747 -5.956 3.290 1.00 0.00 C ATOM 138 NE ARG A 9 2.149 -5.608 3.051 1.00 0.00 N ATOM 139 CZ ARG A 9 2.815 -4.615 3.638 1.00 0.00 C ATOM 140 NH1 ARG A 9 2.169 -3.678 4.340 1.00 0.00 N ATOM 141 NH2 ARG A 9 4.131 -4.545 3.498 1.00 0.00 N ATOM 0 H ARG A 9 1.213 -6.171 -0.827 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.486 -6.575 -0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.746 -4.790 0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.873 -4.609 1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.871 -6.937 2.290 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.696 -7.207 1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.215 -5.083 3.668 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.689 -6.724 4.062 1.00 0.00 H new ATOM 0 HE ARG A 9 2.661 -6.176 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.154 -3.718 4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.691 -2.923 4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.623 -5.247 2.945 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.652 -3.789 3.943 1.00 0.00 H new ATOM 155 N ILE A 10 -0.876 -3.935 -1.831 1.00 0.00 N ATOM 156 CA ILE A 10 -1.538 -2.881 -2.589 1.00 0.00 C ATOM 157 C ILE A 10 -2.550 -3.525 -3.521 1.00 0.00 C ATOM 158 O ILE A 10 -3.702 -3.097 -3.600 1.00 0.00 O ATOM 159 CB ILE A 10 -0.537 -2.060 -3.446 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.574 -1.504 -2.571 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.265 -0.914 -4.153 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.647 -0.761 -3.330 1.00 0.00 C ATOM 0 H ILE A 10 0.115 -4.051 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.013 -2.202 -1.881 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.099 -2.719 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.137 -0.833 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.035 -2.326 -2.023 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.553 -0.345 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.041 -1.321 -4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.720 -0.259 -3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.401 -0.397 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.114 -1.432 -4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.202 0.084 -3.856 1.00 0.00 H new ATOM 174 N GLU A 11 -2.103 -4.576 -4.186 1.00 0.00 N ATOM 175 CA GLU A 11 -2.901 -5.330 -5.135 1.00 0.00 C ATOM 176 C GLU A 11 -4.162 -5.865 -4.435 1.00 0.00 C ATOM 177 O GLU A 11 -5.311 -5.677 -4.907 1.00 0.00 O ATOM 178 CB GLU A 11 -2.066 -6.504 -5.649 1.00 0.00 C ATOM 179 CG GLU A 11 -2.542 -7.079 -6.958 1.00 0.00 C ATOM 180 CD GLU A 11 -2.288 -6.129 -8.099 1.00 0.00 C ATOM 181 OE1 GLU A 11 -3.111 -5.234 -8.348 1.00 0.00 O ATOM 182 OE2 GLU A 11 -1.247 -6.265 -8.777 1.00 0.00 O ATOM 0 H GLU A 11 -1.155 -4.936 -4.078 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.198 -4.690 -5.966 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.033 -6.177 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.069 -7.293 -4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.033 -8.024 -7.149 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.608 -7.298 -6.895 1.00 0.00 H new ATOM 189 N ALA A 12 -3.936 -6.482 -3.285 1.00 0.00 N ATOM 190 CA ALA A 12 -4.993 -7.053 -2.466 1.00 0.00 C ATOM 191 C ALA A 12 -5.999 -5.998 -2.030 1.00 0.00 C ATOM 192 O ALA A 12 -7.203 -6.256 -2.002 1.00 0.00 O ATOM 193 CB ALA A 12 -4.400 -7.735 -1.248 1.00 0.00 C ATOM 0 H ALA A 12 -3.003 -6.601 -2.890 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.521 -7.788 -3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.201 -8.159 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.727 -8.531 -1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.845 -7.006 -0.657 1.00 0.00 H new ATOM 199 N LYS A 13 -5.516 -4.804 -1.739 1.00 0.00 N ATOM 200 CA LYS A 13 -6.370 -3.734 -1.251 1.00 0.00 C ATOM 201 C LYS A 13 -7.269 -3.195 -2.329 1.00 0.00 C ATOM 202 O LYS A 13 -8.392 -2.808 -2.049 1.00 0.00 O ATOM 203 CB LYS A 13 -5.567 -2.626 -0.559 1.00 0.00 C ATOM 204 CG LYS A 13 -5.301 -2.885 0.926 1.00 0.00 C ATOM 205 CD LYS A 13 -6.580 -2.678 1.746 1.00 0.00 C ATOM 206 CE LYS A 13 -6.396 -2.985 3.232 1.00 0.00 C ATOM 207 NZ LYS A 13 -6.252 -4.436 3.503 1.00 0.00 N ATOM 0 H LYS A 13 -4.533 -4.549 -1.832 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.019 -4.170 -0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.613 -2.507 -1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.104 -1.683 -0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.935 -3.902 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.520 -2.214 1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.914 -1.647 1.633 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.369 -3.314 1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.514 -2.461 3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.251 -2.599 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.283 -4.602 4.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.029 -4.954 3.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.343 -4.771 3.126 1.00 0.00 H new ATOM 221 N LYS A 14 -6.792 -3.222 -3.560 1.00 0.00 N ATOM 222 CA LYS A 14 -7.577 -2.769 -4.705 1.00 0.00 C ATOM 223 C LYS A 14 -8.821 -3.626 -4.833 1.00 0.00 C ATOM 224 O LYS A 14 -9.942 -3.131 -4.874 1.00 0.00 O ATOM 225 CB LYS A 14 -6.780 -2.941 -5.986 1.00 0.00 C ATOM 226 CG LYS A 14 -5.458 -2.226 -6.028 1.00 0.00 C ATOM 227 CD LYS A 14 -4.676 -2.716 -7.206 1.00 0.00 C ATOM 228 CE LYS A 14 -3.283 -2.136 -7.259 1.00 0.00 C ATOM 229 NZ LYS A 14 -2.557 -2.637 -8.434 1.00 0.00 N ATOM 0 H LYS A 14 -5.858 -3.555 -3.798 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.833 -1.721 -4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.603 -4.005 -6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.388 -2.593 -6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.614 -1.150 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.903 -2.406 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.612 -3.803 -7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.208 -2.460 -8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.338 -1.048 -7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.740 -2.397 -6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.648 -2.139 -8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.384 -3.657 -8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.124 -2.471 -9.290 1.00 0.00 H new ATOM 243 N LYS A 15 -8.602 -4.934 -4.830 1.00 0.00 N ATOM 244 CA LYS A 15 -9.676 -5.904 -5.044 1.00 0.00 C ATOM 245 C LYS A 15 -10.613 -5.952 -3.832 1.00 0.00 C ATOM 246 O LYS A 15 -11.814 -6.212 -3.952 1.00 0.00 O ATOM 247 CB LYS A 15 -9.076 -7.289 -5.293 1.00 0.00 C ATOM 248 CG LYS A 15 -7.965 -7.309 -6.340 1.00 0.00 C ATOM 249 CD LYS A 15 -8.434 -6.830 -7.712 1.00 0.00 C ATOM 250 CE LYS A 15 -7.270 -6.782 -8.695 1.00 0.00 C ATOM 251 NZ LYS A 15 -7.689 -6.379 -10.058 1.00 0.00 N ATOM 0 H LYS A 15 -7.684 -5.353 -4.681 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.255 -5.596 -5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.682 -7.676 -4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.870 -7.966 -5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.143 -6.679 -6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.574 -8.323 -6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.208 -7.498 -8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.882 -5.840 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.519 -6.082 -8.328 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.797 -7.763 -8.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.860 -6.363 -10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.386 -7.060 -10.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.116 -5.431 -10.024 1.00 0.00 H new ATOM 265 N GLU A 16 -10.063 -5.625 -2.689 1.00 0.00 N ATOM 266 CA GLU A 16 -10.775 -5.682 -1.434 1.00 0.00 C ATOM 267 C GLU A 16 -11.674 -4.477 -1.325 1.00 0.00 C ATOM 268 O GLU A 16 -12.805 -4.563 -0.833 1.00 0.00 O ATOM 269 CB GLU A 16 -9.771 -5.744 -0.296 1.00 0.00 C ATOM 270 CG GLU A 16 -10.355 -5.884 1.081 1.00 0.00 C ATOM 271 CD GLU A 16 -9.287 -6.197 2.078 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.657 -5.274 2.622 1.00 0.00 O ATOM 273 OE2 GLU A 16 -9.027 -7.389 2.314 1.00 0.00 O ATOM 0 H GLU A 16 -9.097 -5.308 -2.602 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.399 -6.574 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.100 -6.585 -0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.163 -4.840 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.862 -4.961 1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.106 -6.674 1.084 1.00 0.00 H new ATOM 280 N LEU A 17 -11.179 -3.365 -1.823 1.00 0.00 N ATOM 281 CA LEU A 17 -11.942 -2.158 -1.898 1.00 0.00 C ATOM 282 C LEU A 17 -13.155 -2.341 -2.757 1.00 0.00 C ATOM 283 O LEU A 17 -14.216 -1.871 -2.410 1.00 0.00 O ATOM 284 CB LEU A 17 -11.095 -1.006 -2.394 1.00 0.00 C ATOM 285 CG LEU A 17 -10.333 -0.233 -1.325 1.00 0.00 C ATOM 286 CD1 LEU A 17 -9.482 0.841 -1.959 1.00 0.00 C ATOM 287 CD2 LEU A 17 -11.306 0.388 -0.332 1.00 0.00 C ATOM 0 H LEU A 17 -10.230 -3.282 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.278 -1.914 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.377 -1.393 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.741 -0.309 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.681 -0.926 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.944 1.384 -1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.767 0.383 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.120 1.532 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.750 0.938 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.975 1.070 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.891 -0.399 0.145 1.00 0.00 H new ATOM 299 N ILE A 18 -12.996 -3.062 -3.857 1.00 0.00 N ATOM 300 CA ILE A 18 -14.106 -3.366 -4.745 1.00 0.00 C ATOM 301 C ILE A 18 -15.211 -4.086 -3.970 1.00 0.00 C ATOM 302 O ILE A 18 -16.377 -3.712 -4.056 1.00 0.00 O ATOM 303 CB ILE A 18 -13.643 -4.213 -5.960 1.00 0.00 C ATOM 304 CG1 ILE A 18 -12.591 -3.425 -6.759 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.831 -4.596 -6.851 1.00 0.00 C ATOM 306 CD1 ILE A 18 -12.001 -4.178 -7.930 1.00 0.00 C ATOM 0 H ILE A 18 -12.101 -3.450 -4.157 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.501 -2.427 -5.134 1.00 0.00 H new ATOM 0 HB ILE A 18 -13.197 -5.139 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -13.046 -2.505 -7.127 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.784 -3.135 -6.086 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.477 -5.189 -7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.547 -5.180 -6.272 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.315 -3.692 -7.221 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.269 -3.548 -8.436 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.513 -5.084 -7.571 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.795 -4.445 -8.628 1.00 0.00 H new ATOM 318 N TYR A 19 -14.819 -5.072 -3.161 1.00 0.00 N ATOM 319 CA TYR A 19 -15.762 -5.800 -2.314 1.00 0.00 C ATOM 320 C TYR A 19 -16.479 -4.842 -1.357 1.00 0.00 C ATOM 321 O TYR A 19 -17.711 -4.846 -1.261 1.00 0.00 O ATOM 322 CB TYR A 19 -15.044 -6.922 -1.518 1.00 0.00 C ATOM 323 CG TYR A 19 -15.929 -7.599 -0.474 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.844 -8.579 -0.832 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.859 -7.232 0.870 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.663 -9.170 0.116 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.672 -7.822 1.820 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.571 -8.788 1.437 1.00 0.00 C ATOM 329 OH TYR A 19 -18.400 -9.373 2.384 1.00 0.00 O ATOM 0 H TYR A 19 -13.852 -5.384 -3.075 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.505 -6.265 -2.962 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.681 -7.676 -2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.170 -6.500 -1.022 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.919 -8.885 -1.865 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -15.155 -6.471 1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.372 -9.929 -0.180 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.601 -7.526 2.856 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.207 -8.993 3.267 1.00 0.00 H new ATOM 339 N LEU A 20 -15.709 -4.014 -0.687 1.00 0.00 N ATOM 340 CA LEU A 20 -16.238 -3.076 0.283 1.00 0.00 C ATOM 341 C LEU A 20 -17.164 -2.057 -0.381 1.00 0.00 C ATOM 342 O LEU A 20 -18.229 -1.743 0.150 1.00 0.00 O ATOM 343 CB LEU A 20 -15.100 -2.387 1.020 1.00 0.00 C ATOM 344 CG LEU A 20 -14.133 -3.312 1.770 1.00 0.00 C ATOM 345 CD1 LEU A 20 -12.983 -2.518 2.333 1.00 0.00 C ATOM 346 CD2 LEU A 20 -14.849 -4.063 2.886 1.00 0.00 C ATOM 0 H LEU A 20 -14.696 -3.970 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.833 -3.630 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.528 -1.801 0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.528 -1.684 1.735 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.746 -4.044 1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.304 -3.186 2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.448 -2.027 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.364 -1.766 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.140 -4.711 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.269 -3.349 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.651 -4.667 2.462 1.00 0.00 H new ATOM 358 N VAL A 21 -16.770 -1.573 -1.545 1.00 0.00 N ATOM 359 CA VAL A 21 -17.595 -0.663 -2.330 1.00 0.00 C ATOM 360 C VAL A 21 -18.920 -1.328 -2.718 1.00 0.00 C ATOM 361 O VAL A 21 -19.987 -0.726 -2.584 1.00 0.00 O ATOM 362 CB VAL A 21 -16.859 -0.157 -3.611 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.802 0.626 -4.512 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.676 0.722 -3.230 1.00 0.00 C ATOM 0 H VAL A 21 -15.872 -1.797 -1.975 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.798 0.202 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.502 -1.031 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -17.262 0.966 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -18.630 -0.014 -4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -18.190 1.488 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -15.173 1.067 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -16.030 1.582 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.977 0.148 -2.622 1.00 0.00 H new ATOM 374 N GLU A 22 -18.860 -2.565 -3.163 1.00 0.00 N ATOM 375 CA GLU A 22 -20.066 -3.264 -3.563 1.00 0.00 C ATOM 376 C GLU A 22 -20.980 -3.559 -2.363 1.00 0.00 C ATOM 377 O GLU A 22 -22.210 -3.572 -2.494 1.00 0.00 O ATOM 378 CB GLU A 22 -19.761 -4.531 -4.369 1.00 0.00 C ATOM 379 CG GLU A 22 -18.963 -4.256 -5.637 1.00 0.00 C ATOM 380 CD GLU A 22 -18.986 -5.394 -6.618 1.00 0.00 C ATOM 381 OE1 GLU A 22 -18.149 -6.320 -6.534 1.00 0.00 O ATOM 382 OE2 GLU A 22 -19.857 -5.375 -7.524 1.00 0.00 O ATOM 0 H GLU A 22 -17.999 -3.104 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.611 -2.593 -4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.206 -5.228 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.698 -5.019 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -19.359 -3.363 -6.120 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.929 -4.040 -5.367 1.00 0.00 H new ATOM 389 N LYS A 23 -20.381 -3.771 -1.209 1.00 0.00 N ATOM 390 CA LYS A 23 -21.135 -4.054 0.006 1.00 0.00 C ATOM 391 C LYS A 23 -21.660 -2.803 0.707 1.00 0.00 C ATOM 392 O LYS A 23 -22.827 -2.745 1.078 1.00 0.00 O ATOM 393 CB LYS A 23 -20.318 -4.903 0.989 1.00 0.00 C ATOM 394 CG LYS A 23 -19.991 -6.310 0.498 1.00 0.00 C ATOM 395 CD LYS A 23 -21.238 -7.184 0.335 1.00 0.00 C ATOM 396 CE LYS A 23 -21.940 -7.456 1.669 1.00 0.00 C ATOM 397 NZ LYS A 23 -21.079 -8.201 2.616 1.00 0.00 N ATOM 0 H LYS A 23 -19.369 -3.754 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.006 -4.622 -0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.385 -4.384 1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -20.868 -4.979 1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -19.470 -6.245 -0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.308 -6.786 1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -21.935 -6.695 -0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.956 -8.132 -0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.238 -6.509 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.853 -8.024 1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.591 -9.034 2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.212 -8.508 2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.828 -7.585 3.415 1.00 0.00 H new ATOM 411 N TYR A 24 -20.817 -1.820 0.897 1.00 0.00 N ATOM 412 CA TYR A 24 -21.194 -0.650 1.685 1.00 0.00 C ATOM 413 C TYR A 24 -21.394 0.579 0.824 1.00 0.00 C ATOM 414 O TYR A 24 -22.277 1.395 1.084 1.00 0.00 O ATOM 415 CB TYR A 24 -20.120 -0.338 2.727 1.00 0.00 C ATOM 416 CG TYR A 24 -19.754 -1.492 3.623 1.00 0.00 C ATOM 417 CD1 TYR A 24 -20.513 -1.804 4.743 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.639 -2.265 3.352 1.00 0.00 C ATOM 419 CE1 TYR A 24 -20.164 -2.858 5.563 1.00 0.00 C ATOM 420 CE2 TYR A 24 -18.287 -3.314 4.160 1.00 0.00 C ATOM 421 CZ TYR A 24 -19.045 -3.606 5.261 1.00 0.00 C ATOM 422 OH TYR A 24 -18.692 -4.667 6.058 1.00 0.00 O ATOM 0 H TYR A 24 -19.868 -1.796 0.524 1.00 0.00 H new ATOM 0 HA TYR A 24 -22.138 -0.895 2.171 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -19.222 0.002 2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -20.465 0.490 3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -21.388 -1.214 4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -18.034 -2.037 2.487 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -20.761 -3.095 6.432 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.415 -3.908 3.929 1.00 0.00 H new ATOM 0 HH TYR A 24 -17.880 -5.086 5.704 1.00 0.00 H new ATOM 432 N GLY A 25 -20.589 0.713 -0.180 1.00 0.00 N ATOM 433 CA GLY A 25 -20.628 1.892 -1.008 1.00 0.00 C ATOM 434 C GLY A 25 -19.333 2.669 -0.900 1.00 0.00 C ATOM 435 O GLY A 25 -18.317 2.119 -0.472 1.00 0.00 O ATOM 0 H GLY A 25 -19.891 0.022 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.801 1.607 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.463 2.525 -0.708 1.00 0.00 H new ATOM 439 N PHE A 26 -19.373 3.935 -1.253 1.00 0.00 N ATOM 440 CA PHE A 26 -18.189 4.788 -1.236 1.00 0.00 C ATOM 441 C PHE A 26 -18.180 5.717 -0.024 1.00 0.00 C ATOM 442 O PHE A 26 -17.145 6.311 0.304 1.00 0.00 O ATOM 443 CB PHE A 26 -18.124 5.665 -2.493 1.00 0.00 C ATOM 444 CG PHE A 26 -17.962 4.946 -3.803 1.00 0.00 C ATOM 445 CD1 PHE A 26 -16.710 4.532 -4.227 1.00 0.00 C ATOM 446 CD2 PHE A 26 -19.053 4.722 -4.628 1.00 0.00 C ATOM 447 CE1 PHE A 26 -16.547 3.907 -5.448 1.00 0.00 C ATOM 448 CE2 PHE A 26 -18.897 4.092 -5.846 1.00 0.00 C ATOM 449 CZ PHE A 26 -17.642 3.685 -6.257 1.00 0.00 C ATOM 0 H PHE A 26 -20.222 4.408 -1.561 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.330 4.118 -1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.035 6.261 -2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.293 6.362 -2.381 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.850 4.700 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -20.035 5.044 -4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -15.565 3.593 -5.768 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -19.755 3.917 -6.478 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.519 3.194 -7.211 1.00 0.00 H new ATOM 459 N THR A 27 -19.319 5.858 0.622 1.00 0.00 N ATOM 460 CA THR A 27 -19.461 6.799 1.726 1.00 0.00 C ATOM 461 C THR A 27 -18.933 6.190 3.038 1.00 0.00 C ATOM 462 O THR A 27 -18.627 6.903 4.001 1.00 0.00 O ATOM 463 CB THR A 27 -20.947 7.184 1.877 1.00 0.00 C ATOM 464 OG1 THR A 27 -21.486 7.469 0.567 1.00 0.00 O ATOM 465 CG2 THR A 27 -21.109 8.424 2.750 1.00 0.00 C ATOM 0 H THR A 27 -20.166 5.333 0.404 1.00 0.00 H new ATOM 0 HA THR A 27 -18.872 7.690 1.509 1.00 0.00 H new ATOM 0 HB THR A 27 -21.475 6.355 2.348 1.00 0.00 H new ATOM 0 HG1 THR A 27 -22.431 7.714 0.648 1.00 0.00 H new ATOM 0 HG21 THR A 27 -22.167 8.671 2.838 1.00 0.00 H new ATOM 0 HG22 THR A 27 -20.698 8.228 3.740 1.00 0.00 H new ATOM 0 HG23 THR A 27 -20.578 9.260 2.296 1.00 0.00 H new ATOM 473 N HIS A 28 -18.820 4.876 3.048 1.00 0.00 N ATOM 474 CA HIS A 28 -18.359 4.128 4.199 1.00 0.00 C ATOM 475 C HIS A 28 -16.941 4.562 4.605 1.00 0.00 C ATOM 476 O HIS A 28 -15.991 4.487 3.810 1.00 0.00 O ATOM 477 CB HIS A 28 -18.441 2.627 3.908 1.00 0.00 C ATOM 478 CG HIS A 28 -18.136 1.739 5.080 1.00 0.00 C ATOM 479 ND1 HIS A 28 -19.083 1.276 5.964 1.00 0.00 N ATOM 480 CD2 HIS A 28 -16.968 1.213 5.488 1.00 0.00 C ATOM 481 CE1 HIS A 28 -18.469 0.503 6.857 1.00 0.00 C ATOM 482 NE2 HIS A 28 -17.178 0.433 6.610 1.00 0.00 N ATOM 0 H HIS A 28 -19.049 4.291 2.245 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.008 4.342 5.049 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.443 2.396 3.546 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -17.748 2.390 3.101 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -20.080 1.488 5.939 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -16.012 1.375 5.012 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -18.964 0.000 7.675 1.00 0.00 H new ATOM 490 N HIS A 29 -16.827 4.987 5.852 1.00 0.00 N ATOM 491 CA HIS A 29 -15.602 5.566 6.429 1.00 0.00 C ATOM 492 C HIS A 29 -14.381 4.652 6.270 1.00 0.00 C ATOM 493 O HIS A 29 -13.292 5.114 5.903 1.00 0.00 O ATOM 494 CB HIS A 29 -15.819 5.908 7.911 1.00 0.00 C ATOM 495 CG HIS A 29 -17.002 6.808 8.175 1.00 0.00 C ATOM 496 ND1 HIS A 29 -16.953 8.181 8.177 1.00 0.00 N ATOM 497 CD2 HIS A 29 -18.289 6.484 8.436 1.00 0.00 C ATOM 498 CE1 HIS A 29 -18.178 8.640 8.432 1.00 0.00 C ATOM 499 NE2 HIS A 29 -19.033 7.646 8.598 1.00 0.00 N ATOM 0 H HIS A 29 -17.599 4.942 6.518 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.392 6.478 5.871 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -15.951 4.982 8.470 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.919 6.388 8.296 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -18.678 5.479 8.507 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -18.438 9.686 8.495 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -20.030 7.717 8.802 1.00 0.00 H new ATOM 507 N LYS A 30 -14.559 3.354 6.520 1.00 0.00 N ATOM 508 CA LYS A 30 -13.453 2.404 6.390 1.00 0.00 C ATOM 509 C LYS A 30 -12.980 2.319 4.945 1.00 0.00 C ATOM 510 O LYS A 30 -11.789 2.266 4.694 1.00 0.00 O ATOM 511 CB LYS A 30 -13.817 1.005 6.912 1.00 0.00 C ATOM 512 CG LYS A 30 -14.150 0.939 8.392 1.00 0.00 C ATOM 513 CD LYS A 30 -14.490 -0.489 8.807 1.00 0.00 C ATOM 514 CE LYS A 30 -14.796 -0.596 10.297 1.00 0.00 C ATOM 515 NZ LYS A 30 -13.633 -0.227 11.134 1.00 0.00 N ATOM 0 H LYS A 30 -15.445 2.940 6.810 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.640 2.782 7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.671 0.633 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.984 0.331 6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.304 1.301 8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.992 1.596 8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.350 -0.837 8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.656 -1.146 8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.637 0.053 10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.101 -1.616 10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.813 -0.505 12.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.785 -0.717 10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.483 0.801 11.086 1.00 0.00 H new ATOM 529 N VAL A 31 -13.921 2.382 4.003 1.00 0.00 N ATOM 530 CA VAL A 31 -13.607 2.308 2.573 1.00 0.00 C ATOM 531 C VAL A 31 -12.722 3.478 2.188 1.00 0.00 C ATOM 532 O VAL A 31 -11.687 3.306 1.531 1.00 0.00 O ATOM 533 CB VAL A 31 -14.899 2.305 1.695 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.563 2.337 0.206 1.00 0.00 C ATOM 535 CG2 VAL A 31 -15.728 1.077 2.000 1.00 0.00 C ATOM 0 H VAL A 31 -14.915 2.485 4.205 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.083 1.370 2.390 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.467 3.203 1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.485 2.334 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.995 3.239 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.969 1.460 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.627 1.083 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.145 0.182 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.010 1.081 3.053 1.00 0.00 H new ATOM 545 N ILE A 32 -13.103 4.656 2.651 1.00 0.00 N ATOM 546 CA ILE A 32 -12.329 5.866 2.416 1.00 0.00 C ATOM 547 C ILE A 32 -10.932 5.695 3.031 1.00 0.00 C ATOM 548 O ILE A 32 -9.917 5.915 2.372 1.00 0.00 O ATOM 549 CB ILE A 32 -13.028 7.108 3.039 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.472 7.227 2.512 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.236 8.379 2.718 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.273 8.358 3.133 1.00 0.00 C ATOM 0 H ILE A 32 -13.952 4.802 3.197 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.249 6.027 1.341 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.062 6.985 4.121 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.441 7.370 1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.992 6.286 2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.736 9.241 3.160 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.230 8.294 3.128 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.178 8.508 1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.276 8.370 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.339 8.208 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.780 9.308 2.928 1.00 0.00 H new ATOM 564 N SER A 33 -10.905 5.211 4.260 1.00 0.00 N ATOM 565 CA SER A 33 -9.671 4.980 4.993 1.00 0.00 C ATOM 566 C SER A 33 -8.741 3.976 4.265 1.00 0.00 C ATOM 567 O SER A 33 -7.523 4.184 4.193 1.00 0.00 O ATOM 568 CB SER A 33 -10.004 4.509 6.410 1.00 0.00 C ATOM 569 OG SER A 33 -10.832 5.475 7.075 1.00 0.00 O ATOM 0 H SER A 33 -11.746 4.965 4.783 1.00 0.00 H new ATOM 0 HA SER A 33 -9.121 5.919 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.516 3.547 6.370 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.085 4.357 6.976 1.00 0.00 H new ATOM 0 HG SER A 33 -11.717 5.492 6.655 1.00 0.00 H new ATOM 575 N PHE A 34 -9.314 2.915 3.695 1.00 0.00 N ATOM 576 CA PHE A 34 -8.526 1.932 2.958 1.00 0.00 C ATOM 577 C PHE A 34 -8.069 2.488 1.615 1.00 0.00 C ATOM 578 O PHE A 34 -7.005 2.125 1.124 1.00 0.00 O ATOM 579 CB PHE A 34 -9.262 0.601 2.756 1.00 0.00 C ATOM 580 CG PHE A 34 -9.612 -0.135 4.020 1.00 0.00 C ATOM 581 CD1 PHE A 34 -8.652 -0.412 4.979 1.00 0.00 C ATOM 582 CD2 PHE A 34 -10.901 -0.567 4.232 1.00 0.00 C ATOM 583 CE1 PHE A 34 -8.988 -1.104 6.128 1.00 0.00 C ATOM 584 CE2 PHE A 34 -11.244 -1.254 5.372 1.00 0.00 C ATOM 585 CZ PHE A 34 -10.287 -1.525 6.324 1.00 0.00 C ATOM 0 H PHE A 34 -10.314 2.717 3.730 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.652 1.724 3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.180 0.792 2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.643 -0.048 2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.634 -0.085 4.828 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -11.657 -0.362 3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -8.234 -1.315 6.872 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -12.263 -1.581 5.521 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.552 -2.065 7.221 1.00 0.00 H new ATOM 595 N SER A 35 -8.861 3.378 1.035 1.00 0.00 N ATOM 596 CA SER A 35 -8.481 4.030 -0.212 1.00 0.00 C ATOM 597 C SER A 35 -7.232 4.888 0.029 1.00 0.00 C ATOM 598 O SER A 35 -6.296 4.914 -0.788 1.00 0.00 O ATOM 599 CB SER A 35 -9.643 4.887 -0.743 1.00 0.00 C ATOM 600 OG SER A 35 -10.824 4.101 -0.930 1.00 0.00 O ATOM 0 H SER A 35 -9.767 3.665 1.405 1.00 0.00 H new ATOM 0 HA SER A 35 -8.253 3.275 -0.965 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.850 5.697 -0.044 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.356 5.347 -1.688 1.00 0.00 H new ATOM 0 HG SER A 35 -11.103 3.720 -0.071 1.00 0.00 H new ATOM 606 N GLN A 36 -7.216 5.538 1.186 1.00 0.00 N ATOM 607 CA GLN A 36 -6.101 6.360 1.629 1.00 0.00 C ATOM 608 C GLN A 36 -4.902 5.471 1.975 1.00 0.00 C ATOM 609 O GLN A 36 -3.753 5.849 1.752 1.00 0.00 O ATOM 610 CB GLN A 36 -6.522 7.170 2.854 1.00 0.00 C ATOM 611 CG GLN A 36 -7.710 8.083 2.600 1.00 0.00 C ATOM 612 CD GLN A 36 -8.278 8.689 3.869 1.00 0.00 C ATOM 613 OE1 GLN A 36 -8.203 8.096 4.956 1.00 0.00 O ATOM 614 NE2 GLN A 36 -8.875 9.835 3.744 1.00 0.00 N ATOM 0 H GLN A 36 -7.989 5.507 1.851 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.813 7.041 0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.768 6.485 3.665 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.677 7.772 3.190 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.407 8.884 1.926 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.492 7.518 2.093 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.916 10.292 2.833 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.303 10.278 4.557 1.00 0.00 H new ATOM 623 N GLU A 37 -5.192 4.284 2.499 1.00 0.00 N ATOM 624 CA GLU A 37 -4.183 3.296 2.859 1.00 0.00 C ATOM 625 C GLU A 37 -3.473 2.814 1.594 1.00 0.00 C ATOM 626 O GLU A 37 -2.250 2.817 1.523 1.00 0.00 O ATOM 627 CB GLU A 37 -4.857 2.105 3.553 1.00 0.00 C ATOM 628 CG GLU A 37 -3.902 1.054 4.083 1.00 0.00 C ATOM 629 CD GLU A 37 -3.118 1.529 5.279 1.00 0.00 C ATOM 630 OE1 GLU A 37 -2.118 2.255 5.119 1.00 0.00 O ATOM 631 OE2 GLU A 37 -3.504 1.194 6.412 1.00 0.00 O ATOM 0 H GLU A 37 -6.147 3.978 2.688 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.457 3.746 3.536 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.460 2.479 4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.541 1.632 2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.465 0.161 4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.210 0.766 3.292 1.00 0.00 H new ATOM 638 N LEU A 38 -4.271 2.433 0.597 1.00 0.00 N ATOM 639 CA LEU A 38 -3.785 1.951 -0.703 1.00 0.00 C ATOM 640 C LEU A 38 -2.916 3.031 -1.346 1.00 0.00 C ATOM 641 O LEU A 38 -1.810 2.761 -1.828 1.00 0.00 O ATOM 642 CB LEU A 38 -5.017 1.593 -1.590 1.00 0.00 C ATOM 643 CG LEU A 38 -4.803 0.854 -2.946 1.00 0.00 C ATOM 644 CD1 LEU A 38 -6.142 0.402 -3.484 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.127 1.735 -3.995 1.00 0.00 C ATOM 0 H LEU A 38 -5.288 2.449 0.667 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.172 1.057 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.686 0.979 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.545 2.522 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.148 0.005 -2.751 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.997 -0.115 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.612 -0.274 -2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.784 1.269 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.003 1.170 -4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.745 2.612 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.150 2.052 -3.629 1.00 0.00 H new ATOM 657 N ASP A 39 -3.419 4.258 -1.315 1.00 0.00 N ATOM 658 CA ASP A 39 -2.712 5.420 -1.858 1.00 0.00 C ATOM 659 C ASP A 39 -1.376 5.612 -1.160 1.00 0.00 C ATOM 660 O ASP A 39 -0.351 5.894 -1.801 1.00 0.00 O ATOM 661 CB ASP A 39 -3.566 6.682 -1.701 1.00 0.00 C ATOM 662 CG ASP A 39 -2.844 7.934 -2.139 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.804 8.222 -3.360 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.320 8.661 -1.280 1.00 0.00 O ATOM 0 H ASP A 39 -4.330 4.480 -0.913 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.529 5.242 -2.918 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.480 6.572 -2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.864 6.786 -0.658 1.00 0.00 H new ATOM 669 N ARG A 40 -1.390 5.427 0.143 1.00 0.00 N ATOM 670 CA ARG A 40 -0.204 5.552 0.954 1.00 0.00 C ATOM 671 C ARG A 40 0.771 4.410 0.659 1.00 0.00 C ATOM 672 O ARG A 40 1.963 4.634 0.572 1.00 0.00 O ATOM 673 CB ARG A 40 -0.569 5.597 2.447 1.00 0.00 C ATOM 674 CG ARG A 40 0.614 5.790 3.381 1.00 0.00 C ATOM 675 CD ARG A 40 1.323 7.108 3.130 1.00 0.00 C ATOM 676 NE ARG A 40 2.500 7.240 3.981 1.00 0.00 N ATOM 677 CZ ARG A 40 3.530 8.061 3.767 1.00 0.00 C ATOM 678 NH1 ARG A 40 3.480 8.966 2.792 1.00 0.00 N ATOM 679 NH2 ARG A 40 4.589 8.002 4.559 1.00 0.00 N ATOM 0 H ARG A 40 -2.230 5.185 0.669 1.00 0.00 H new ATOM 0 HA ARG A 40 0.290 6.491 0.702 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.280 6.407 2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.077 4.670 2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.270 5.754 4.415 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.318 4.968 3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.618 7.172 2.083 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.639 7.935 3.319 1.00 0.00 H new ATOM 0 HE ARG A 40 2.539 6.652 4.814 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.650 9.035 2.203 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.271 9.590 2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.614 7.332 5.327 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.380 8.627 4.401 1.00 0.00 H new ATOM 693 N LEU A 41 0.245 3.198 0.481 1.00 0.00 N ATOM 694 CA LEU A 41 1.069 2.029 0.147 1.00 0.00 C ATOM 695 C LEU A 41 1.778 2.252 -1.185 1.00 0.00 C ATOM 696 O LEU A 41 2.962 1.956 -1.323 1.00 0.00 O ATOM 697 CB LEU A 41 0.226 0.746 0.079 1.00 0.00 C ATOM 698 CG LEU A 41 -0.402 0.237 1.381 1.00 0.00 C ATOM 699 CD1 LEU A 41 -1.344 -0.921 1.086 1.00 0.00 C ATOM 700 CD2 LEU A 41 0.681 -0.219 2.349 1.00 0.00 C ATOM 0 H LEU A 41 -0.752 2.997 0.562 1.00 0.00 H new ATOM 0 HA LEU A 41 1.808 1.906 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.577 0.910 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.855 -0.048 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.964 1.052 1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.786 -1.277 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.134 -0.585 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.788 -1.732 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.219 -0.578 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.259 -1.024 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.341 0.618 2.577 1.00 0.00 H new ATOM 712 N LEU A 42 1.044 2.787 -2.154 1.00 0.00 N ATOM 713 CA LEU A 42 1.610 3.141 -3.450 1.00 0.00 C ATOM 714 C LEU A 42 2.697 4.193 -3.258 1.00 0.00 C ATOM 715 O LEU A 42 3.787 4.103 -3.827 1.00 0.00 O ATOM 716 CB LEU A 42 0.525 3.709 -4.369 1.00 0.00 C ATOM 717 CG LEU A 42 0.996 4.187 -5.748 1.00 0.00 C ATOM 718 CD1 LEU A 42 1.445 3.024 -6.624 1.00 0.00 C ATOM 719 CD2 LEU A 42 -0.075 5.014 -6.427 1.00 0.00 C ATOM 0 H LEU A 42 0.048 2.986 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 42 2.031 2.244 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.239 2.945 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.047 4.546 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 42 1.866 4.826 -5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.771 3.403 -7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.271 2.503 -6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.614 2.333 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.282 5.342 -7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.974 4.411 -6.553 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.305 5.885 -5.814 1.00 0.00 H new ATOM 731 N ASN A 43 2.394 5.173 -2.423 1.00 0.00 N ATOM 732 CA ASN A 43 3.305 6.255 -2.129 1.00 0.00 C ATOM 733 C ASN A 43 4.574 5.756 -1.438 1.00 0.00 C ATOM 734 O ASN A 43 5.618 6.351 -1.573 1.00 0.00 O ATOM 735 CB ASN A 43 2.606 7.345 -1.311 1.00 0.00 C ATOM 736 CG ASN A 43 3.458 8.579 -1.128 1.00 0.00 C ATOM 737 OD1 ASN A 43 4.148 8.737 -0.128 1.00 0.00 O ATOM 738 ND2 ASN A 43 3.424 9.445 -2.100 1.00 0.00 N ATOM 0 H ASN A 43 1.503 5.236 -1.930 1.00 0.00 H new ATOM 0 HA ASN A 43 3.616 6.695 -3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.675 7.622 -1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.341 6.944 -0.333 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.986 10.294 -2.046 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.835 9.274 -2.915 1.00 0.00 H new ATOM 745 N LEU A 44 4.478 4.637 -0.742 1.00 0.00 N ATOM 746 CA LEU A 44 5.640 4.021 -0.107 1.00 0.00 C ATOM 747 C LEU A 44 6.643 3.566 -1.171 1.00 0.00 C ATOM 748 O LEU A 44 7.852 3.738 -1.013 1.00 0.00 O ATOM 749 CB LEU A 44 5.216 2.848 0.792 1.00 0.00 C ATOM 750 CG LEU A 44 4.341 3.207 2.005 1.00 0.00 C ATOM 751 CD1 LEU A 44 4.025 1.974 2.825 1.00 0.00 C ATOM 752 CD2 LEU A 44 5.002 4.275 2.872 1.00 0.00 C ATOM 0 H LEU A 44 3.604 4.131 -0.599 1.00 0.00 H new ATOM 0 HA LEU A 44 6.125 4.764 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.675 2.125 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.116 2.350 1.153 1.00 0.00 H new ATOM 0 HG LEU A 44 3.405 3.618 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.405 2.253 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.489 1.254 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.953 1.527 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.357 4.505 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.961 3.906 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.160 5.177 2.281 1.00 0.00 H new ATOM 764 N LEU A 45 6.122 3.035 -2.276 1.00 0.00 N ATOM 765 CA LEU A 45 6.956 2.617 -3.405 1.00 0.00 C ATOM 766 C LEU A 45 7.582 3.840 -4.043 1.00 0.00 C ATOM 767 O LEU A 45 8.750 3.828 -4.454 1.00 0.00 O ATOM 768 CB LEU A 45 6.121 1.897 -4.467 1.00 0.00 C ATOM 769 CG LEU A 45 5.411 0.616 -4.050 1.00 0.00 C ATOM 770 CD1 LEU A 45 4.558 0.122 -5.196 1.00 0.00 C ATOM 771 CD2 LEU A 45 6.414 -0.454 -3.652 1.00 0.00 C ATOM 0 H LEU A 45 5.123 2.883 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 45 7.722 1.938 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.369 2.595 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.775 1.662 -5.307 1.00 0.00 H new ATOM 0 HG LEU A 45 4.781 0.829 -3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.048 -0.795 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.819 0.881 -5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.191 -0.077 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.883 -1.359 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.066 -0.674 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.014 -0.097 -2.815 1.00 0.00 H new ATOM 783 N ILE A 46 6.787 4.891 -4.128 1.00 0.00 N ATOM 784 CA ILE A 46 7.214 6.156 -4.682 1.00 0.00 C ATOM 785 C ILE A 46 8.321 6.757 -3.819 1.00 0.00 C ATOM 786 O ILE A 46 9.367 7.137 -4.331 1.00 0.00 O ATOM 787 CB ILE A 46 6.023 7.157 -4.801 1.00 0.00 C ATOM 788 CG1 ILE A 46 4.923 6.567 -5.703 1.00 0.00 C ATOM 789 CG2 ILE A 46 6.498 8.506 -5.343 1.00 0.00 C ATOM 790 CD1 ILE A 46 3.687 7.432 -5.834 1.00 0.00 C ATOM 0 H ILE A 46 5.818 4.887 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 46 7.598 5.972 -5.685 1.00 0.00 H new ATOM 0 HB ILE A 46 5.609 7.321 -3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.338 6.396 -6.696 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.630 5.594 -5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.650 9.187 -5.417 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.244 8.927 -4.669 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.939 8.367 -6.330 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.966 6.940 -6.486 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.243 7.583 -4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.962 8.397 -6.260 1.00 0.00 H new ATOM 802 N GLU A 47 8.098 6.789 -2.515 1.00 0.00 N ATOM 803 CA GLU A 47 9.055 7.344 -1.576 1.00 0.00 C ATOM 804 C GLU A 47 10.373 6.626 -1.558 1.00 0.00 C ATOM 805 O GLU A 47 11.402 7.260 -1.361 1.00 0.00 O ATOM 806 CB GLU A 47 8.484 7.508 -0.175 1.00 0.00 C ATOM 807 CG GLU A 47 7.527 8.671 -0.071 1.00 0.00 C ATOM 808 CD GLU A 47 8.185 9.954 -0.519 1.00 0.00 C ATOM 809 OE1 GLU A 47 8.898 10.594 0.296 1.00 0.00 O ATOM 810 OE2 GLU A 47 8.035 10.330 -1.704 1.00 0.00 O ATOM 0 H GLU A 47 7.248 6.431 -2.079 1.00 0.00 H new ATOM 0 HA GLU A 47 9.263 8.344 -1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.969 6.592 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.301 7.650 0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.646 8.477 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.184 8.774 0.959 1.00 0.00 H new ATOM 817 N LEU A 48 10.369 5.324 -1.777 1.00 0.00 N ATOM 818 CA LEU A 48 11.616 4.592 -1.870 1.00 0.00 C ATOM 819 C LEU A 48 12.467 5.140 -3.001 1.00 0.00 C ATOM 820 O LEU A 48 13.677 5.357 -2.849 1.00 0.00 O ATOM 821 CB LEU A 48 11.370 3.119 -2.055 1.00 0.00 C ATOM 822 CG LEU A 48 10.681 2.428 -0.886 1.00 0.00 C ATOM 823 CD1 LEU A 48 10.719 0.971 -1.111 1.00 0.00 C ATOM 824 CD2 LEU A 48 11.344 2.776 0.450 1.00 0.00 C ATOM 0 H LEU A 48 9.528 4.759 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 48 12.156 4.723 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.764 2.977 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.325 2.627 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 48 9.649 2.776 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.229 0.462 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.201 0.733 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 48 11.755 0.640 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.823 2.263 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.387 2.460 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 48 11.294 3.853 0.611 1.00 0.00 H new ATOM 836 N LYS A 49 11.810 5.421 -4.110 1.00 0.00 N ATOM 837 CA LYS A 49 12.444 5.998 -5.280 1.00 0.00 C ATOM 838 C LYS A 49 12.787 7.477 -5.043 1.00 0.00 C ATOM 839 O LYS A 49 13.767 7.983 -5.577 1.00 0.00 O ATOM 840 CB LYS A 49 11.550 5.829 -6.502 1.00 0.00 C ATOM 841 CG LYS A 49 11.181 4.382 -6.766 1.00 0.00 C ATOM 842 CD LYS A 49 10.292 4.236 -7.980 1.00 0.00 C ATOM 843 CE LYS A 49 9.842 2.795 -8.159 1.00 0.00 C ATOM 844 NZ LYS A 49 9.041 2.324 -7.008 1.00 0.00 N ATOM 0 H LYS A 49 10.810 5.253 -4.225 1.00 0.00 H new ATOM 0 HA LYS A 49 13.379 5.468 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.639 6.412 -6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.058 6.235 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.089 3.797 -6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.673 3.973 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.420 4.882 -7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.829 4.566 -8.869 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.253 2.709 -9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.715 2.154 -8.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.581 1.610 -6.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.824 3.127 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.154 1.903 -7.351 1.00 0.00 H new ATOM 858 N THR A 50 11.956 8.164 -4.254 1.00 0.00 N ATOM 859 CA THR A 50 12.200 9.557 -3.883 1.00 0.00 C ATOM 860 C THR A 50 13.508 9.659 -3.095 1.00 0.00 C ATOM 861 O THR A 50 14.334 10.537 -3.342 1.00 0.00 O ATOM 862 CB THR A 50 11.037 10.121 -3.016 1.00 0.00 C ATOM 863 OG1 THR A 50 9.779 9.975 -3.710 1.00 0.00 O ATOM 864 CG2 THR A 50 11.257 11.592 -2.696 1.00 0.00 C ATOM 0 H THR A 50 11.102 7.772 -3.858 1.00 0.00 H new ATOM 0 HA THR A 50 12.267 10.144 -4.799 1.00 0.00 H new ATOM 0 HB THR A 50 11.014 9.555 -2.085 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.053 10.313 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.430 11.960 -2.089 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.191 11.709 -2.146 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.309 12.162 -3.623 1.00 0.00 H new ATOM 872 N LYS A 51 13.689 8.732 -2.166 1.00 0.00 N ATOM 873 CA LYS A 51 14.876 8.679 -1.356 1.00 0.00 C ATOM 874 C LYS A 51 16.060 8.303 -2.219 1.00 0.00 C ATOM 875 O LYS A 51 17.114 8.927 -2.130 1.00 0.00 O ATOM 876 CB LYS A 51 14.706 7.652 -0.226 1.00 0.00 C ATOM 877 CG LYS A 51 13.539 7.941 0.693 1.00 0.00 C ATOM 878 CD LYS A 51 13.332 6.838 1.712 1.00 0.00 C ATOM 879 CE LYS A 51 12.074 7.082 2.548 1.00 0.00 C ATOM 880 NZ LYS A 51 12.118 8.375 3.264 1.00 0.00 N ATOM 0 H LYS A 51 13.011 7.999 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 51 15.047 9.660 -0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.575 6.663 -0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.622 7.621 0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.710 8.885 1.210 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.632 8.062 0.100 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.251 5.879 1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.201 6.778 2.368 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.199 7.058 1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.958 6.273 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.313 8.436 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.007 8.445 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.066 9.154 2.577 1.00 0.00 H new ATOM 894 N LYS A 52 15.863 7.235 -3.032 1.00 0.00 N ATOM 895 CA LYS A 52 16.848 6.636 -3.990 1.00 0.00 C ATOM 896 C LYS A 52 18.177 6.210 -3.358 1.00 0.00 C ATOM 897 O LYS A 52 19.048 5.663 -4.017 1.00 0.00 O ATOM 898 CB LYS A 52 17.057 7.460 -5.287 1.00 0.00 C ATOM 899 CG LYS A 52 17.649 8.850 -5.132 1.00 0.00 C ATOM 900 CD LYS A 52 17.813 9.538 -6.484 1.00 0.00 C ATOM 901 CE LYS A 52 18.907 8.910 -7.344 1.00 0.00 C ATOM 902 NZ LYS A 52 20.252 9.037 -6.736 1.00 0.00 N ATOM 0 H LYS A 52 14.972 6.738 -3.044 1.00 0.00 H new ATOM 0 HA LYS A 52 16.359 5.711 -4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.705 6.888 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.093 7.556 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.005 9.452 -4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.618 8.782 -4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.867 9.498 -7.023 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.044 10.591 -6.324 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.681 7.855 -7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.910 9.384 -8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.975 8.767 -7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.407 10.022 -6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 20.319 8.412 -5.908 1.00 0.00 H new ATOM 916 N LYS A 53 18.290 6.411 -2.084 1.00 0.00 N ATOM 917 CA LYS A 53 19.454 6.053 -1.314 1.00 0.00 C ATOM 918 C LYS A 53 19.232 4.696 -0.676 1.00 0.00 C ATOM 919 O LYS A 53 19.904 4.308 0.276 1.00 0.00 O ATOM 920 CB LYS A 53 19.697 7.120 -0.248 1.00 0.00 C ATOM 921 CG LYS A 53 18.507 7.362 0.691 1.00 0.00 C ATOM 922 CD LYS A 53 18.771 8.509 1.659 1.00 0.00 C ATOM 923 CE LYS A 53 19.983 8.244 2.542 1.00 0.00 C ATOM 924 NZ LYS A 53 20.263 9.374 3.442 1.00 0.00 N ATOM 0 H LYS A 53 17.554 6.843 -1.526 1.00 0.00 H new ATOM 0 HA LYS A 53 20.331 5.996 -1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 53 20.562 6.829 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.951 8.058 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.618 7.583 0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 53 18.298 6.452 1.254 1.00 0.00 H new ATOM 0 HD2 LYS A 53 18.927 9.429 1.096 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.893 8.664 2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 53 19.813 7.343 3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 53 20.854 8.054 1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 21.095 9.155 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 20.451 10.228 2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.441 9.539 4.058 1.00 0.00 H new ATOM 938 N ARG A 54 18.291 3.981 -1.223 1.00 0.00 N ATOM 939 CA ARG A 54 17.944 2.688 -0.742 1.00 0.00 C ATOM 940 C ARG A 54 18.803 1.661 -1.447 1.00 0.00 C ATOM 941 O ARG A 54 19.080 1.793 -2.642 1.00 0.00 O ATOM 942 CB ARG A 54 16.453 2.388 -0.997 1.00 0.00 C ATOM 943 CG ARG A 54 15.475 3.379 -0.359 1.00 0.00 C ATOM 944 CD ARG A 54 15.554 3.378 1.169 1.00 0.00 C ATOM 945 NE ARG A 54 15.168 2.081 1.766 1.00 0.00 N ATOM 946 CZ ARG A 54 15.128 1.835 3.100 1.00 0.00 C ATOM 947 NH1 ARG A 54 15.415 2.800 3.963 1.00 0.00 N ATOM 948 NH2 ARG A 54 14.798 0.633 3.557 1.00 0.00 N ATOM 0 H ARG A 54 17.741 4.289 -2.025 1.00 0.00 H new ATOM 0 HA ARG A 54 18.116 2.648 0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 54 16.280 2.372 -2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.230 1.389 -0.623 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.685 4.382 -0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.459 3.132 -0.667 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.571 3.625 1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.904 4.160 1.562 1.00 0.00 H new ATOM 0 HE ARG A 54 14.915 1.322 1.134 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.666 3.729 3.624 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.384 2.613 4.965 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.571 -0.117 2.903 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.771 0.459 4.562 1.00 0.00 H new ATOM 962 N TYR A 55 19.192 0.651 -0.701 1.00 0.00 N ATOM 963 CA TYR A 55 20.011 -0.495 -1.151 1.00 0.00 C ATOM 964 C TYR A 55 19.534 -1.135 -2.474 1.00 0.00 C ATOM 965 O TYR A 55 20.307 -1.790 -3.146 1.00 0.00 O ATOM 966 CB TYR A 55 20.048 -1.551 -0.029 1.00 0.00 C ATOM 967 CG TYR A 55 18.688 -1.774 0.603 1.00 0.00 C ATOM 968 CD1 TYR A 55 17.745 -2.613 0.025 1.00 0.00 C ATOM 969 CD2 TYR A 55 18.341 -1.100 1.760 1.00 0.00 C ATOM 970 CE1 TYR A 55 16.496 -2.774 0.591 1.00 0.00 C ATOM 971 CE2 TYR A 55 17.101 -1.246 2.326 1.00 0.00 C ATOM 972 CZ TYR A 55 16.180 -2.082 1.743 1.00 0.00 C ATOM 973 OH TYR A 55 14.927 -2.212 2.308 1.00 0.00 O ATOM 0 H TYR A 55 18.943 0.586 0.286 1.00 0.00 H new ATOM 0 HA TYR A 55 21.009 -0.109 -1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 55 20.416 -2.494 -0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 55 20.755 -1.236 0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 55 17.992 -3.147 -0.880 1.00 0.00 H new ATOM 0 HD2 TYR A 55 19.062 -0.445 2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 55 15.773 -3.435 0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 55 16.849 -0.706 3.227 1.00 0.00 H new ATOM 0 HH TYR A 55 14.998 -2.709 3.149 1.00 0.00 H new ATOM 983 N SER A 56 18.291 -0.898 -2.851 1.00 0.00 N ATOM 984 CA SER A 56 17.702 -1.446 -4.051 1.00 0.00 C ATOM 985 C SER A 56 18.331 -0.858 -5.336 1.00 0.00 C ATOM 986 O SER A 56 18.180 -1.414 -6.423 1.00 0.00 O ATOM 987 CB SER A 56 16.205 -1.205 -3.983 1.00 0.00 C ATOM 988 OG SER A 56 15.944 0.120 -3.513 1.00 0.00 O ATOM 0 H SER A 56 17.653 -0.307 -2.318 1.00 0.00 H new ATOM 0 HA SER A 56 17.902 -2.516 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.761 -1.344 -4.969 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.741 -1.934 -3.318 1.00 0.00 H new ATOM 0 HG SER A 56 14.976 0.268 -3.474 1.00 0.00 H new ATOM 994 N LEU A 57 19.030 0.263 -5.208 1.00 0.00 N ATOM 995 CA LEU A 57 19.737 0.847 -6.342 1.00 0.00 C ATOM 996 C LEU A 57 21.238 0.565 -6.237 1.00 0.00 C ATOM 997 O LEU A 57 22.025 0.947 -7.106 1.00 0.00 O ATOM 998 CB LEU A 57 19.494 2.363 -6.441 1.00 0.00 C ATOM 999 CG LEU A 57 18.039 2.825 -6.638 1.00 0.00 C ATOM 1000 CD1 LEU A 57 17.981 4.335 -6.816 1.00 0.00 C ATOM 1001 CD2 LEU A 57 17.397 2.130 -7.829 1.00 0.00 C ATOM 0 H LEU A 57 19.123 0.784 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 57 19.346 0.383 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 57 19.877 2.828 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 57 20.087 2.748 -7.271 1.00 0.00 H new ATOM 0 HG LEU A 57 17.477 2.553 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 57 16.945 4.646 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 57 18.391 4.822 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 57 18.565 4.621 -7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.370 2.477 -7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 57 17.960 2.362 -8.733 1.00 0.00 H new ATOM 0 HD23 LEU A 57 17.400 1.052 -7.666 1.00 0.00 H new ATOM 1013 N LEU A 58 21.626 -0.106 -5.179 1.00 0.00 N ATOM 1014 CA LEU A 58 23.032 -0.413 -4.937 1.00 0.00 C ATOM 1015 C LEU A 58 23.260 -1.887 -5.197 1.00 0.00 C ATOM 1016 O LEU A 58 24.045 -2.271 -6.074 1.00 0.00 O ATOM 1017 CB LEU A 58 23.460 -0.035 -3.501 1.00 0.00 C ATOM 1018 CG LEU A 58 23.541 1.477 -3.139 1.00 0.00 C ATOM 1019 CD1 LEU A 58 22.184 2.151 -3.156 1.00 0.00 C ATOM 1020 CD2 LEU A 58 24.193 1.666 -1.783 1.00 0.00 C ATOM 0 H LEU A 58 20.990 -0.456 -4.462 1.00 0.00 H new ATOM 0 HA LEU A 58 23.646 0.181 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.763 -0.508 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 58 24.440 -0.476 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 58 24.152 1.951 -3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 58 22.297 3.204 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 58 21.749 2.067 -4.152 1.00 0.00 H new ATOM 0 HD13 LEU A 58 21.528 1.667 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 58 24.241 2.729 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 58 23.606 1.152 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 58 25.202 1.253 -1.804 1.00 0.00 H new ATOM 1032 N GLU A 59 22.532 -2.695 -4.439 1.00 0.00 N ATOM 1033 CA GLU A 59 22.421 -4.136 -4.577 1.00 0.00 C ATOM 1034 C GLU A 59 23.688 -4.935 -4.294 1.00 0.00 C ATOM 1035 O GLU A 59 23.752 -5.692 -3.322 1.00 0.00 O ATOM 1036 CB GLU A 59 21.838 -4.450 -5.925 1.00 0.00 C ATOM 1037 CG GLU A 59 20.518 -3.744 -6.169 1.00 0.00 C ATOM 1038 CD GLU A 59 20.029 -3.899 -7.575 1.00 0.00 C ATOM 1039 OE1 GLU A 59 20.555 -3.205 -8.475 1.00 0.00 O ATOM 1040 OE2 GLU A 59 19.086 -4.698 -7.813 1.00 0.00 O ATOM 0 H GLU A 59 21.970 -2.338 -3.666 1.00 0.00 H new ATOM 0 HA GLU A 59 21.753 -4.470 -3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 59 22.548 -4.162 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.691 -5.527 -6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 59 19.768 -4.138 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 59 20.631 -2.684 -5.943 1.00 0.00 H new ATOM 1047 N HIS A 60 24.672 -4.756 -5.095 1.00 0.00 N ATOM 1048 CA HIS A 60 25.862 -5.577 -5.019 1.00 0.00 C ATOM 1049 C HIS A 60 26.863 -5.025 -4.004 1.00 0.00 C ATOM 1050 O HIS A 60 27.621 -4.096 -4.287 1.00 0.00 O ATOM 1051 CB HIS A 60 26.497 -5.757 -6.411 1.00 0.00 C ATOM 1052 CG HIS A 60 27.533 -6.855 -6.494 1.00 0.00 C ATOM 1053 ND1 HIS A 60 28.778 -6.708 -7.066 1.00 0.00 N ATOM 1054 CD2 HIS A 60 27.452 -8.156 -6.115 1.00 0.00 C ATOM 1055 CE1 HIS A 60 29.398 -7.889 -7.024 1.00 0.00 C ATOM 1056 NE2 HIS A 60 28.635 -8.811 -6.454 1.00 0.00 N ATOM 0 H HIS A 60 24.693 -4.044 -5.825 1.00 0.00 H new ATOM 0 HA HIS A 60 25.564 -6.564 -4.664 1.00 0.00 H new ATOM 0 HB2 HIS A 60 25.707 -5.966 -7.132 1.00 0.00 H new ATOM 0 HB3 HIS A 60 26.959 -4.816 -6.709 1.00 0.00 H new ATOM 0 HD2 HIS A 60 26.603 -8.612 -5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 60 30.392 -8.070 -7.405 1.00 0.00 H new ATOM 0 HE2 HIS A 60 28.865 -9.792 -6.297 1.00 0.00 H new ATOM 1064 N HIS A 61 26.810 -5.568 -2.815 1.00 0.00 N ATOM 1065 CA HIS A 61 27.721 -5.213 -1.742 1.00 0.00 C ATOM 1066 C HIS A 61 28.528 -6.427 -1.362 1.00 0.00 C ATOM 1067 O HIS A 61 28.216 -7.538 -1.825 1.00 0.00 O ATOM 1068 CB HIS A 61 26.966 -4.690 -0.504 1.00 0.00 C ATOM 1069 CG HIS A 61 26.275 -3.379 -0.705 1.00 0.00 C ATOM 1070 ND1 HIS A 61 24.918 -3.189 -0.555 1.00 0.00 N ATOM 1071 CD2 HIS A 61 26.787 -2.166 -1.016 1.00 0.00 C ATOM 1072 CE1 HIS A 61 24.654 -1.912 -0.771 1.00 0.00 C ATOM 1073 NE2 HIS A 61 25.759 -1.234 -1.058 1.00 0.00 N ATOM 0 H HIS A 61 26.126 -6.279 -2.555 1.00 0.00 H new ATOM 0 HA HIS A 61 28.374 -4.415 -2.097 1.00 0.00 H new ATOM 0 HB2 HIS A 61 26.227 -5.433 -0.204 1.00 0.00 H new ATOM 0 HB3 HIS A 61 27.672 -4.591 0.321 1.00 0.00 H new ATOM 0 HD1 HIS A 61 24.236 -3.909 -0.318 1.00 0.00 H new ATOM 0 HD2 HIS A 61 27.830 -1.956 -1.202 1.00 0.00 H new ATOM 0 HE1 HIS A 61 23.667 -1.476 -0.721 1.00 0.00 H new ATOM 1081 N HIS A 62 29.554 -6.215 -0.526 1.00 0.00 N ATOM 1082 CA HIS A 62 30.456 -7.274 -0.037 1.00 0.00 C ATOM 1083 C HIS A 62 30.977 -8.200 -1.124 1.00 0.00 C ATOM 1084 O HIS A 62 30.474 -9.305 -1.340 1.00 0.00 O ATOM 1085 CB HIS A 62 29.975 -8.008 1.262 1.00 0.00 C ATOM 1086 CG HIS A 62 28.511 -8.397 1.323 1.00 0.00 C ATOM 1087 ND1 HIS A 62 27.576 -7.699 2.061 1.00 0.00 N ATOM 1088 CD2 HIS A 62 27.833 -9.425 0.746 1.00 0.00 C ATOM 1089 CE1 HIS A 62 26.398 -8.291 1.918 1.00 0.00 C ATOM 1090 NE2 HIS A 62 26.487 -9.353 1.126 1.00 0.00 N ATOM 0 H HIS A 62 29.786 -5.290 -0.164 1.00 0.00 H new ATOM 0 HA HIS A 62 31.336 -6.725 0.297 1.00 0.00 H new ATOM 0 HB2 HIS A 62 30.572 -8.912 1.383 1.00 0.00 H new ATOM 0 HB3 HIS A 62 30.192 -7.366 2.116 1.00 0.00 H new ATOM 0 HD2 HIS A 62 28.263 -10.176 0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 62 25.485 -7.953 2.385 1.00 0.00 H new ATOM 0 HE2 HIS A 62 25.734 -9.984 0.852 1.00 0.00 H new ATOM 1098 N HIS A 63 31.954 -7.706 -1.833 1.00 0.00 N ATOM 1099 CA HIS A 63 32.583 -8.391 -2.934 1.00 0.00 C ATOM 1100 C HIS A 63 34.018 -7.894 -3.047 1.00 0.00 C ATOM 1101 O HIS A 63 34.418 -6.973 -2.321 1.00 0.00 O ATOM 1102 CB HIS A 63 31.811 -8.139 -4.256 1.00 0.00 C ATOM 1103 CG HIS A 63 31.701 -6.685 -4.671 1.00 0.00 C ATOM 1104 ND1 HIS A 63 32.379 -6.133 -5.738 1.00 0.00 N ATOM 1105 CD2 HIS A 63 30.953 -5.678 -4.149 1.00 0.00 C ATOM 1106 CE1 HIS A 63 32.035 -4.848 -5.828 1.00 0.00 C ATOM 1107 NE2 HIS A 63 31.169 -4.518 -4.885 1.00 0.00 N ATOM 0 H HIS A 63 32.350 -6.783 -1.656 1.00 0.00 H new ATOM 0 HA HIS A 63 32.574 -9.466 -2.753 1.00 0.00 H new ATOM 0 HB2 HIS A 63 32.302 -8.693 -5.056 1.00 0.00 H new ATOM 0 HB3 HIS A 63 30.806 -8.549 -4.155 1.00 0.00 H new ATOM 0 HD2 HIS A 63 30.295 -5.765 -3.297 1.00 0.00 H new ATOM 0 HE1 HIS A 63 32.414 -4.165 -6.574 1.00 0.00 H new ATOM 0 HE2 HIS A 63 30.747 -3.603 -4.730 1.00 0.00 H new ATOM 1115 N HIS A 64 34.773 -8.468 -3.926 1.00 0.00 N ATOM 1116 CA HIS A 64 36.146 -8.091 -4.105 1.00 0.00 C ATOM 1117 C HIS A 64 36.519 -8.336 -5.554 1.00 0.00 C ATOM 1118 O HIS A 64 36.442 -7.390 -6.366 1.00 0.00 O ATOM 1119 CB HIS A 64 37.029 -8.914 -3.146 1.00 0.00 C ATOM 1120 CG HIS A 64 38.480 -8.529 -3.116 1.00 0.00 C ATOM 1121 ND1 HIS A 64 39.508 -9.425 -3.253 1.00 0.00 N ATOM 1122 CD2 HIS A 64 39.060 -7.331 -2.883 1.00 0.00 C ATOM 1123 CE1 HIS A 64 40.654 -8.769 -3.093 1.00 0.00 C ATOM 1124 NE2 HIS A 64 40.439 -7.485 -2.866 1.00 0.00 N ATOM 1125 OXT HIS A 64 36.824 -9.495 -5.906 1.00 0.00 O ATOM 0 H HIS A 64 34.458 -9.215 -4.545 1.00 0.00 H new ATOM 0 HA HIS A 64 36.298 -7.036 -3.875 1.00 0.00 H new ATOM 0 HB2 HIS A 64 36.625 -8.821 -2.138 1.00 0.00 H new ATOM 0 HB3 HIS A 64 36.955 -9.965 -3.424 1.00 0.00 H new ATOM 0 HD2 HIS A 64 38.533 -6.400 -2.734 1.00 0.00 H new ATOM 0 HE1 HIS A 64 41.632 -9.226 -3.142 1.00 0.00 H new ATOM 0 HE2 HIS A 64 41.139 -6.760 -2.711 1.00 0.00 H new TER 1133 HIS A 64