USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 888 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 6 CYS SG : rot 180:sc= -0.818 USER MOD Set 1.2: A 7 ASN : amide:sc= 0.833 K(o=0.015,f=-0.82) USER MOD Set 1.3: A 56 MET CE :methyl -179:sc= 0 (180deg=0) USER MOD Set 2.1: A 44 LYS NZ :NH3+ 168:sc= 0.11 (180deg=0.0745) USER MOD Set 2.2: A 45 HIS : no HD1:sc= -0.426 X(o=-0.32,f=0.052) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.455 K(o=0.46,f=-1.2) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc=-0.00976 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2.7!) USER MOD Single : A 21 TYR OH : rot 160:sc= -0.805 USER MOD Single : A 26 TYR OH : rot -80:sc= -2.56! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.36) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HE2:sc= -0.121 F(o=-0.79,f=-0.12) USER MOD Single : A 47 MET CE :methyl -148:sc= -0.241 (180deg=-1.36) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00725 USER MOD Single : A 53 LYS NZ :NH3+ -122:sc= 0.415 (180deg=-2.74!) USER MOD Single : A 55 LYS NZ :NH3+ -120:sc= -1.38 (180deg=-4.79!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot -80:sc= -0.304 USER MOD Single : A 65 GLN : amide:sc= -0.0386 X(o=-0.039,f=-0.29) USER MOD Single : A 74 MET CE :methyl -137:sc= -3.1! (180deg=-4.82!) USER MOD Single : A 76 SER OG : rot 89:sc= 0.0141 USER MOD Single : A 77 ASN : amide:sc= -1.98 K(o=-2,f=-3.8!) USER MOD Single : A 78 CYS SG : rot 169:sc= 0.447 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot -107:sc= -1.56! USER MOD Single : A 82 ASN : amide:sc= -0.192 K(o=-0.19,f=-1.6!) USER MOD Single : A 86 HIS : no HD1:sc= -0.777 X(o=-0.78,f=-1.1) USER MOD Single : A 91 MET CE :methyl -107:sc= -0.371 (180deg=-1.65) USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0494) USER MOD Single : A 96 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.59) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -172:sc= -3.37! (180deg=-3.73!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.237 13.380 -1.539 1.00 0.00 N ATOM 2 CA GLU A 1 -15.906 11.993 -1.972 1.00 0.00 C ATOM 3 C GLU A 1 -14.661 11.471 -1.258 1.00 0.00 C ATOM 4 O GLU A 1 -13.672 12.191 -1.111 1.00 0.00 O ATOM 5 CB GLU A 1 -15.686 11.986 -3.488 1.00 0.00 C ATOM 6 CG GLU A 1 -16.894 11.501 -4.275 1.00 0.00 C ATOM 7 CD GLU A 1 -17.005 9.988 -4.301 1.00 0.00 C ATOM 8 OE1 GLU A 1 -17.107 9.380 -3.213 1.00 0.00 O ATOM 9 OE2 GLU A 1 -16.988 9.411 -5.408 1.00 0.00 O ATOM 0 H1 GLU A 1 -17.087 13.707 -2.041 1.00 0.00 H new ATOM 0 H2 GLU A 1 -16.415 13.391 -0.514 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.441 14.012 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 1 -16.735 11.335 -1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -15.431 12.994 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -14.832 11.350 -3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -17.800 11.921 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -16.831 11.875 -5.297 1.00 0.00 H new ATOM 18 N GLN A 2 -14.717 10.214 -0.819 1.00 0.00 N ATOM 19 CA GLN A 2 -13.590 9.594 -0.122 1.00 0.00 C ATOM 20 C GLN A 2 -12.527 9.107 -1.109 1.00 0.00 C ATOM 21 O GLN A 2 -11.334 9.118 -0.797 1.00 0.00 O ATOM 22 CB GLN A 2 -14.070 8.427 0.747 1.00 0.00 C ATOM 23 CG GLN A 2 -14.366 8.817 2.188 1.00 0.00 C ATOM 24 CD GLN A 2 -13.113 9.140 2.984 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.994 8.896 2.532 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.296 9.694 4.178 1.00 0.00 N ATOM 0 H GLN A 2 -15.528 9.606 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 2 -13.140 10.353 0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.970 8.002 0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -13.311 7.645 0.740 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.028 9.683 2.196 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.901 8.002 2.677 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.241 9.879 4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.492 9.934 4.758 1.00 0.00 H new ATOM 35 N LEU A 3 -12.964 8.684 -2.299 1.00 0.00 N ATOM 36 CA LEU A 3 -12.046 8.198 -3.332 1.00 0.00 C ATOM 37 C LEU A 3 -10.991 9.253 -3.669 1.00 0.00 C ATOM 38 O LEU A 3 -9.820 8.927 -3.866 1.00 0.00 O ATOM 39 CB LEU A 3 -12.819 7.818 -4.603 1.00 0.00 C ATOM 40 CG LEU A 3 -13.069 6.319 -4.806 1.00 0.00 C ATOM 41 CD1 LEU A 3 -11.766 5.588 -5.098 1.00 0.00 C ATOM 42 CD2 LEU A 3 -13.764 5.716 -3.593 1.00 0.00 C ATOM 0 H LEU A 3 -13.947 8.669 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.543 7.314 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.782 8.329 -4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.271 8.196 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.726 6.200 -5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.968 4.526 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.316 5.995 -6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.080 5.719 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -13.931 4.652 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -13.138 5.851 -2.711 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.722 6.213 -3.438 1.00 0.00 H new ATOM 54 N LYS A 4 -11.414 10.519 -3.733 1.00 0.00 N ATOM 55 CA LYS A 4 -10.502 11.620 -4.045 1.00 0.00 C ATOM 56 C LYS A 4 -9.380 11.703 -3.013 1.00 0.00 C ATOM 57 O LYS A 4 -8.207 11.821 -3.369 1.00 0.00 O ATOM 58 CB LYS A 4 -11.259 12.953 -4.098 1.00 0.00 C ATOM 59 CG LYS A 4 -11.286 13.592 -5.480 1.00 0.00 C ATOM 60 CD LYS A 4 -10.490 14.890 -5.518 1.00 0.00 C ATOM 61 CE LYS A 4 -11.271 16.053 -4.919 1.00 0.00 C ATOM 62 NZ LYS A 4 -11.369 17.207 -5.858 1.00 0.00 N ATOM 0 H LYS A 4 -12.380 10.805 -3.573 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.065 11.424 -5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.284 12.791 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.800 13.649 -3.396 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.878 12.894 -6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.318 13.790 -5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.556 14.759 -4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.225 15.123 -6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.273 15.717 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.788 16.377 -3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.908 17.975 -5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.414 17.546 -6.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.853 16.907 -6.728 1.00 0.00 H new ATOM 76 N HIS A 5 -9.750 11.635 -1.735 1.00 0.00 N ATOM 77 CA HIS A 5 -8.777 11.697 -0.646 1.00 0.00 C ATOM 78 C HIS A 5 -7.852 10.482 -0.677 1.00 0.00 C ATOM 79 O HIS A 5 -6.639 10.613 -0.506 1.00 0.00 O ATOM 80 CB HIS A 5 -9.488 11.775 0.707 1.00 0.00 C ATOM 81 CG HIS A 5 -10.358 12.985 0.860 1.00 0.00 C ATOM 82 ND1 HIS A 5 -11.719 12.914 1.067 1.00 0.00 N ATOM 83 CD2 HIS A 5 -10.052 14.305 0.836 1.00 0.00 C ATOM 84 CE1 HIS A 5 -12.213 14.136 1.162 1.00 0.00 C ATOM 85 NE2 HIS A 5 -11.222 14.996 1.026 1.00 0.00 N ATOM 0 H HIS A 5 -10.718 11.537 -1.428 1.00 0.00 H new ATOM 0 HA HIS A 5 -8.177 12.597 -0.782 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -10.097 10.881 0.840 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -8.741 11.772 1.501 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -9.071 14.733 0.694 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -13.251 14.388 1.323 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -11.311 16.012 1.057 1.00 0.00 H new ATOM 94 N CYS A 6 -8.433 9.302 -0.900 1.00 0.00 N ATOM 95 CA CYS A 6 -7.660 8.063 -0.959 1.00 0.00 C ATOM 96 C CYS A 6 -6.642 8.110 -2.098 1.00 0.00 C ATOM 97 O CYS A 6 -5.513 7.638 -1.950 1.00 0.00 O ATOM 98 CB CYS A 6 -8.589 6.860 -1.144 1.00 0.00 C ATOM 99 SG CYS A 6 -7.904 5.299 -0.539 1.00 0.00 S ATOM 0 H CYS A 6 -9.436 9.180 -1.042 1.00 0.00 H new ATOM 0 HA CYS A 6 -7.124 7.957 -0.016 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -9.528 7.057 -0.627 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -8.824 6.755 -2.203 1.00 0.00 H new ATOM 0 HG CYS A 6 -8.762 4.343 -0.738 1.00 0.00 H new ATOM 105 N ASN A 7 -7.049 8.683 -3.232 1.00 0.00 N ATOM 106 CA ASN A 7 -6.173 8.794 -4.397 1.00 0.00 C ATOM 107 C ASN A 7 -4.952 9.662 -4.093 1.00 0.00 C ATOM 108 O ASN A 7 -3.862 9.411 -4.608 1.00 0.00 O ATOM 109 CB ASN A 7 -6.942 9.367 -5.593 1.00 0.00 C ATOM 110 CG ASN A 7 -7.552 8.281 -6.461 1.00 0.00 C ATOM 111 OD1 ASN A 7 -7.159 8.098 -7.613 1.00 0.00 O ATOM 112 ND2 ASN A 7 -8.520 7.556 -5.912 1.00 0.00 N ATOM 0 H ASN A 7 -7.980 9.077 -3.367 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.823 7.792 -4.647 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.731 10.026 -5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.269 9.976 -6.197 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.968 6.814 -6.449 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.815 7.742 -4.953 1.00 0.00 H new ATOM 119 N VAL A 8 -5.138 10.680 -3.251 1.00 0.00 N ATOM 120 CA VAL A 8 -4.044 11.575 -2.879 1.00 0.00 C ATOM 121 C VAL A 8 -2.920 10.806 -2.184 1.00 0.00 C ATOM 122 O VAL A 8 -1.740 11.056 -2.434 1.00 0.00 O ATOM 123 CB VAL A 8 -4.523 12.716 -1.954 1.00 0.00 C ATOM 124 CG1 VAL A 8 -3.395 13.703 -1.692 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.732 13.428 -2.550 1.00 0.00 C ATOM 0 H VAL A 8 -6.033 10.904 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.669 12.012 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.824 12.277 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.752 14.499 -1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.563 13.186 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.060 14.132 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.050 14.227 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.464 13.851 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.547 12.716 -2.678 1.00 0.00 H new ATOM 135 N ILE A 9 -3.296 9.865 -1.318 1.00 0.00 N ATOM 136 CA ILE A 9 -2.320 9.054 -0.593 1.00 0.00 C ATOM 137 C ILE A 9 -1.492 8.197 -1.555 1.00 0.00 C ATOM 138 O ILE A 9 -0.296 7.992 -1.340 1.00 0.00 O ATOM 139 CB ILE A 9 -3.002 8.143 0.454 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.942 8.963 1.347 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.955 7.428 1.298 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.675 8.135 2.382 1.00 0.00 C ATOM 0 H ILE A 9 -4.269 9.646 -1.102 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.658 9.746 -0.072 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.593 7.393 -0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.364 9.735 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.672 9.473 0.719 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.451 6.791 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.324 6.817 0.653 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.340 8.164 1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.320 8.783 2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.281 7.380 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.952 7.646 3.035 1.00 0.00 H new ATOM 154 N LEU A 10 -2.131 7.708 -2.622 1.00 0.00 N ATOM 155 CA LEU A 10 -1.446 6.886 -3.621 1.00 0.00 C ATOM 156 C LEU A 10 -0.338 7.684 -4.309 1.00 0.00 C ATOM 157 O LEU A 10 0.760 7.171 -4.533 1.00 0.00 O ATOM 158 CB LEU A 10 -2.444 6.372 -4.669 1.00 0.00 C ATOM 159 CG LEU A 10 -2.242 4.922 -5.131 1.00 0.00 C ATOM 160 CD1 LEU A 10 -0.857 4.728 -5.734 1.00 0.00 C ATOM 161 CD2 LEU A 10 -2.464 3.955 -3.976 1.00 0.00 C ATOM 0 H LEU A 10 -3.120 7.867 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.999 6.034 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.450 6.466 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.392 7.022 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.979 4.710 -5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.741 3.692 -6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.739 5.388 -6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.099 4.965 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.316 2.933 -4.324 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.755 4.173 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.480 4.066 -3.598 1.00 0.00 H new ATOM 173 N LYS A 11 -0.635 8.944 -4.641 1.00 0.00 N ATOM 174 CA LYS A 11 0.327 9.820 -5.301 1.00 0.00 C ATOM 175 C LYS A 11 1.587 10.005 -4.451 1.00 0.00 C ATOM 176 O LYS A 11 2.682 10.170 -4.988 1.00 0.00 O ATOM 177 CB LYS A 11 -0.310 11.181 -5.597 1.00 0.00 C ATOM 178 CG LYS A 11 -1.539 11.108 -6.494 1.00 0.00 C ATOM 179 CD LYS A 11 -1.600 12.284 -7.458 1.00 0.00 C ATOM 180 CE LYS A 11 -2.673 12.087 -8.522 1.00 0.00 C ATOM 181 NZ LYS A 11 -3.927 12.832 -8.206 1.00 0.00 N ATOM 0 H LYS A 11 -1.540 9.378 -4.461 1.00 0.00 H new ATOM 0 HA LYS A 11 0.618 9.348 -6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.588 11.653 -4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.433 11.824 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.524 10.175 -7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.439 11.094 -5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.803 13.200 -6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.630 12.411 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.290 12.418 -9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.898 11.025 -8.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.627 12.668 -8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.309 12.499 -7.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.720 13.849 -8.142 1.00 0.00 H new ATOM 195 N GLU A 12 1.428 9.975 -3.126 1.00 0.00 N ATOM 196 CA GLU A 12 2.560 10.137 -2.211 1.00 0.00 C ATOM 197 C GLU A 12 3.561 8.990 -2.363 1.00 0.00 C ATOM 198 O GLU A 12 4.771 9.216 -2.395 1.00 0.00 O ATOM 199 CB GLU A 12 2.073 10.213 -0.761 1.00 0.00 C ATOM 200 CG GLU A 12 3.109 10.781 0.200 1.00 0.00 C ATOM 201 CD GLU A 12 3.027 12.291 0.334 1.00 0.00 C ATOM 202 OE1 GLU A 12 2.927 12.979 -0.705 1.00 0.00 O ATOM 203 OE2 GLU A 12 3.067 12.786 1.481 1.00 0.00 O ATOM 0 H GLU A 12 0.529 9.840 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 12 3.062 11.070 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.175 10.829 -0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.790 9.214 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.974 10.327 1.182 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.106 10.506 -0.144 1.00 0.00 H new ATOM 210 N LEU A 13 3.048 7.761 -2.455 1.00 0.00 N ATOM 211 CA LEU A 13 3.898 6.578 -2.605 1.00 0.00 C ATOM 212 C LEU A 13 4.706 6.638 -3.906 1.00 0.00 C ATOM 213 O LEU A 13 5.845 6.174 -3.959 1.00 0.00 O ATOM 214 CB LEU A 13 3.048 5.302 -2.575 1.00 0.00 C ATOM 215 CG LEU A 13 2.352 5.011 -1.240 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.112 4.155 -1.460 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.312 4.327 -0.275 1.00 0.00 C ATOM 0 H LEU A 13 2.049 7.559 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 13 4.597 6.561 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.289 5.372 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.685 4.454 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 13 2.041 5.958 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.631 3.958 -0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.417 4.682 -2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.399 3.211 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.801 4.128 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.654 3.387 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.169 4.976 -0.093 1.00 0.00 H new ATOM 229 N LEU A 14 4.106 7.215 -4.950 1.00 0.00 N ATOM 230 CA LEU A 14 4.766 7.341 -6.253 1.00 0.00 C ATOM 231 C LEU A 14 5.523 8.672 -6.387 1.00 0.00 C ATOM 232 O LEU A 14 6.301 8.851 -7.325 1.00 0.00 O ATOM 233 CB LEU A 14 3.734 7.230 -7.380 1.00 0.00 C ATOM 234 CG LEU A 14 3.522 5.822 -7.943 1.00 0.00 C ATOM 235 CD1 LEU A 14 2.050 5.585 -8.246 1.00 0.00 C ATOM 236 CD2 LEU A 14 4.367 5.615 -9.193 1.00 0.00 C ATOM 0 H LEU A 14 3.163 7.603 -4.919 1.00 0.00 H new ATOM 0 HA LEU A 14 5.490 6.530 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.778 7.603 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.040 7.886 -8.195 1.00 0.00 H new ATOM 0 HG LEU A 14 3.838 5.099 -7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.918 4.579 -8.645 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.468 5.691 -7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.708 6.315 -8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.204 4.609 -9.580 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.082 6.346 -9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.421 5.742 -8.945 1.00 0.00 H new ATOM 248 N SER A 15 5.279 9.606 -5.462 1.00 0.00 N ATOM 249 CA SER A 15 5.924 10.923 -5.493 1.00 0.00 C ATOM 250 C SER A 15 7.453 10.812 -5.493 1.00 0.00 C ATOM 251 O SER A 15 8.092 11.011 -6.528 1.00 0.00 O ATOM 252 CB SER A 15 5.448 11.767 -4.304 1.00 0.00 C ATOM 253 OG SER A 15 6.230 12.940 -4.151 1.00 0.00 O ATOM 0 H SER A 15 4.637 9.474 -4.680 1.00 0.00 H new ATOM 0 HA SER A 15 5.635 11.413 -6.423 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.403 12.042 -4.447 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.499 11.173 -3.392 1.00 0.00 H new ATOM 0 HG SER A 15 5.900 13.456 -3.386 1.00 0.00 H new ATOM 259 N LYS A 16 8.031 10.497 -4.333 1.00 0.00 N ATOM 260 CA LYS A 16 9.486 10.361 -4.199 1.00 0.00 C ATOM 261 C LYS A 16 9.883 10.070 -2.751 1.00 0.00 C ATOM 262 O LYS A 16 10.761 9.244 -2.497 1.00 0.00 O ATOM 263 CB LYS A 16 10.213 11.621 -4.690 1.00 0.00 C ATOM 264 CG LYS A 16 9.704 12.917 -4.076 1.00 0.00 C ATOM 265 CD LYS A 16 10.678 14.061 -4.317 1.00 0.00 C ATOM 266 CE LYS A 16 10.791 14.973 -3.103 1.00 0.00 C ATOM 267 NZ LYS A 16 9.547 15.764 -2.878 1.00 0.00 N ATOM 0 H LYS A 16 7.514 10.330 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 16 9.787 9.519 -4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.276 11.522 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.116 11.683 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.733 13.167 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.556 12.781 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.660 13.657 -4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.350 14.642 -5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.004 14.373 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.633 15.652 -3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.668 16.371 -2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.357 16.356 -3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.747 15.117 -2.723 1.00 0.00 H new ATOM 281 N LYS A 17 9.232 10.753 -1.804 1.00 0.00 N ATOM 282 CA LYS A 17 9.519 10.566 -0.382 1.00 0.00 C ATOM 283 C LYS A 17 9.374 9.099 0.019 1.00 0.00 C ATOM 284 O LYS A 17 10.249 8.541 0.682 1.00 0.00 O ATOM 285 CB LYS A 17 8.590 11.434 0.472 1.00 0.00 C ATOM 286 CG LYS A 17 8.862 12.925 0.343 1.00 0.00 C ATOM 287 CD LYS A 17 9.925 13.387 1.327 1.00 0.00 C ATOM 288 CE LYS A 17 10.389 14.803 1.020 1.00 0.00 C ATOM 289 NZ LYS A 17 11.570 15.197 1.839 1.00 0.00 N ATOM 0 H LYS A 17 8.503 11.440 -1.998 1.00 0.00 H new ATOM 0 HA LYS A 17 10.551 10.871 -0.207 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.557 11.235 0.187 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.694 11.143 1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.184 13.150 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.940 13.480 0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.527 13.345 2.341 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.777 12.708 1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.640 14.880 -0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.572 15.500 1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.852 16.168 1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.324 15.149 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 12.360 14.549 1.644 1.00 0.00 H new ATOM 303 N HIS A 18 8.267 8.480 -0.391 1.00 0.00 N ATOM 304 CA HIS A 18 8.012 7.074 -0.078 1.00 0.00 C ATOM 305 C HIS A 18 8.222 6.181 -1.304 1.00 0.00 C ATOM 306 O HIS A 18 7.784 5.028 -1.323 1.00 0.00 O ATOM 307 CB HIS A 18 6.588 6.903 0.456 1.00 0.00 C ATOM 308 CG HIS A 18 6.273 7.793 1.618 1.00 0.00 C ATOM 309 ND1 HIS A 18 7.159 8.026 2.649 1.00 0.00 N ATOM 310 CD2 HIS A 18 5.163 8.512 1.908 1.00 0.00 C ATOM 311 CE1 HIS A 18 6.607 8.849 3.523 1.00 0.00 C ATOM 312 NE2 HIS A 18 5.397 9.159 3.095 1.00 0.00 N ATOM 0 H HIS A 18 7.534 8.929 -0.940 1.00 0.00 H new ATOM 0 HA HIS A 18 8.724 6.768 0.688 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.881 7.105 -0.348 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.443 5.865 0.754 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.262 8.566 1.316 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.067 9.207 4.432 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.742 9.780 3.570 1.00 0.00 H new ATOM 321 N ALA A 19 8.902 6.713 -2.322 1.00 0.00 N ATOM 322 CA ALA A 19 9.177 5.960 -3.543 1.00 0.00 C ATOM 323 C ALA A 19 10.231 4.882 -3.303 1.00 0.00 C ATOM 324 O ALA A 19 10.192 3.821 -3.926 1.00 0.00 O ATOM 325 CB ALA A 19 9.632 6.897 -4.652 1.00 0.00 C ATOM 0 H ALA A 19 9.272 7.664 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 19 8.253 5.469 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.833 6.321 -5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.849 7.628 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.540 7.414 -4.342 1.00 0.00 H new ATOM 331 N ALA A 20 11.173 5.163 -2.396 1.00 0.00 N ATOM 332 CA ALA A 20 12.245 4.220 -2.070 1.00 0.00 C ATOM 333 C ALA A 20 11.693 2.843 -1.703 1.00 0.00 C ATOM 334 O ALA A 20 12.231 1.820 -2.126 1.00 0.00 O ATOM 335 CB ALA A 20 13.108 4.765 -0.940 1.00 0.00 C ATOM 0 H ALA A 20 11.213 6.039 -1.874 1.00 0.00 H new ATOM 0 HA ALA A 20 12.862 4.102 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.900 4.052 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.551 5.713 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.492 4.921 -0.054 1.00 0.00 H new ATOM 341 N TYR A 21 10.615 2.824 -0.920 1.00 0.00 N ATOM 342 CA TYR A 21 9.987 1.568 -0.510 1.00 0.00 C ATOM 343 C TYR A 21 8.807 1.213 -1.427 1.00 0.00 C ATOM 344 O TYR A 21 8.200 0.148 -1.286 1.00 0.00 O ATOM 345 CB TYR A 21 9.511 1.658 0.946 1.00 0.00 C ATOM 346 CG TYR A 21 10.455 2.408 1.863 1.00 0.00 C ATOM 347 CD1 TYR A 21 11.822 2.162 1.837 1.00 0.00 C ATOM 348 CD2 TYR A 21 9.977 3.361 2.753 1.00 0.00 C ATOM 349 CE1 TYR A 21 12.685 2.844 2.671 1.00 0.00 C ATOM 350 CE2 TYR A 21 10.834 4.048 3.591 1.00 0.00 C ATOM 351 CZ TYR A 21 12.187 3.785 3.545 1.00 0.00 C ATOM 352 OH TYR A 21 13.045 4.468 4.375 1.00 0.00 O ATOM 0 H TYR A 21 10.159 3.661 -0.558 1.00 0.00 H new ATOM 0 HA TYR A 21 10.734 0.778 -0.592 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.537 2.146 0.968 1.00 0.00 H new ATOM 0 HB3 TYR A 21 9.371 0.649 1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.216 1.425 1.153 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.918 3.568 2.791 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.745 2.641 2.638 1.00 0.00 H new ATOM 0 HE2 TYR A 21 10.447 4.786 4.278 1.00 0.00 H new ATOM 0 HH TYR A 21 12.613 5.291 4.686 1.00 0.00 H new ATOM 362 N ALA A 22 8.489 2.108 -2.371 1.00 0.00 N ATOM 363 CA ALA A 22 7.388 1.889 -3.305 1.00 0.00 C ATOM 364 C ALA A 22 7.803 1.016 -4.487 1.00 0.00 C ATOM 365 O ALA A 22 7.107 0.059 -4.820 1.00 0.00 O ATOM 366 CB ALA A 22 6.846 3.220 -3.804 1.00 0.00 C ATOM 0 H ALA A 22 8.982 2.991 -2.505 1.00 0.00 H new ATOM 0 HA ALA A 22 6.605 1.359 -2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.026 3.041 -4.499 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.484 3.805 -2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.639 3.768 -4.312 1.00 0.00 H new ATOM 372 N TRP A 23 8.930 1.350 -5.130 1.00 0.00 N ATOM 373 CA TRP A 23 9.403 0.581 -6.285 1.00 0.00 C ATOM 374 C TRP A 23 9.667 -0.893 -5.942 1.00 0.00 C ATOM 375 O TRP A 23 9.417 -1.766 -6.776 1.00 0.00 O ATOM 376 CB TRP A 23 10.651 1.219 -6.919 1.00 0.00 C ATOM 377 CG TRP A 23 11.841 1.297 -6.012 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.268 2.389 -5.317 1.00 0.00 C ATOM 379 CD2 TRP A 23 12.764 0.243 -5.711 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.390 2.078 -4.591 1.00 0.00 N ATOM 381 CE2 TRP A 23 13.717 0.767 -4.818 1.00 0.00 C ATOM 382 CE3 TRP A 23 12.874 -1.093 -6.106 1.00 0.00 C ATOM 383 CZ2 TRP A 23 14.766 0.001 -4.314 1.00 0.00 C ATOM 384 CZ3 TRP A 23 13.915 -1.852 -5.606 1.00 0.00 C ATOM 385 CH2 TRP A 23 14.849 -1.304 -4.718 1.00 0.00 C ATOM 0 H TRP A 23 9.524 2.138 -4.873 1.00 0.00 H new ATOM 0 HA TRP A 23 8.596 0.606 -7.017 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.924 0.648 -7.806 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.399 2.225 -7.253 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.792 3.358 -5.335 1.00 0.00 H new ATOM 0 HE1 TRP A 23 13.898 2.719 -3.981 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.158 -1.525 -6.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.488 0.422 -3.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.010 -2.885 -5.905 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.651 -1.924 -4.344 1.00 0.00 H new ATOM 396 N PRO A 24 10.161 -1.212 -4.720 1.00 0.00 N ATOM 397 CA PRO A 24 10.426 -2.599 -4.325 1.00 0.00 C ATOM 398 C PRO A 24 9.136 -3.399 -4.173 1.00 0.00 C ATOM 399 O PRO A 24 9.032 -4.522 -4.667 1.00 0.00 O ATOM 400 CB PRO A 24 11.142 -2.481 -2.970 1.00 0.00 C ATOM 401 CG PRO A 24 11.492 -1.039 -2.823 1.00 0.00 C ATOM 402 CD PRO A 24 10.486 -0.279 -3.634 1.00 0.00 C ATOM 0 HA PRO A 24 11.017 -3.124 -5.075 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.497 -2.812 -2.156 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.035 -3.105 -2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.458 -0.735 -1.777 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.504 -0.846 -3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.605 -0.022 -3.046 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.898 0.655 -4.015 1.00 0.00 H new ATOM 410 N PHE A 25 8.153 -2.808 -3.490 1.00 0.00 N ATOM 411 CA PHE A 25 6.864 -3.466 -3.279 1.00 0.00 C ATOM 412 C PHE A 25 5.932 -3.293 -4.488 1.00 0.00 C ATOM 413 O PHE A 25 4.813 -3.811 -4.491 1.00 0.00 O ATOM 414 CB PHE A 25 6.194 -2.919 -2.014 1.00 0.00 C ATOM 415 CG PHE A 25 6.847 -3.376 -0.736 1.00 0.00 C ATOM 416 CD1 PHE A 25 8.076 -2.864 -0.344 1.00 0.00 C ATOM 417 CD2 PHE A 25 6.232 -4.319 0.073 1.00 0.00 C ATOM 418 CE1 PHE A 25 8.676 -3.282 0.829 1.00 0.00 C ATOM 419 CE2 PHE A 25 6.829 -4.741 1.247 1.00 0.00 C ATOM 420 CZ PHE A 25 8.051 -4.222 1.625 1.00 0.00 C ATOM 0 H PHE A 25 8.225 -1.879 -3.076 1.00 0.00 H new ATOM 0 HA PHE A 25 7.053 -4.533 -3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.207 -1.830 -2.049 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.148 -3.225 -2.007 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.570 -2.130 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.276 -4.729 -0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.632 -2.874 1.123 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.339 -5.476 1.868 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.518 -4.550 2.542 1.00 0.00 H new ATOM 430 N TYR A 26 6.395 -2.569 -5.514 1.00 0.00 N ATOM 431 CA TYR A 26 5.602 -2.337 -6.718 1.00 0.00 C ATOM 432 C TYR A 26 5.658 -3.544 -7.654 1.00 0.00 C ATOM 433 O TYR A 26 4.624 -4.027 -8.118 1.00 0.00 O ATOM 434 CB TYR A 26 6.112 -1.092 -7.450 1.00 0.00 C ATOM 435 CG TYR A 26 5.023 -0.130 -7.875 1.00 0.00 C ATOM 436 CD1 TYR A 26 3.988 -0.539 -8.709 1.00 0.00 C ATOM 437 CD2 TYR A 26 5.035 1.191 -7.445 1.00 0.00 C ATOM 438 CE1 TYR A 26 2.998 0.342 -9.100 1.00 0.00 C ATOM 439 CE2 TYR A 26 4.048 2.077 -7.832 1.00 0.00 C ATOM 440 CZ TYR A 26 3.032 1.647 -8.660 1.00 0.00 C ATOM 441 OH TYR A 26 2.048 2.527 -9.048 1.00 0.00 O ATOM 0 H TYR A 26 7.318 -2.134 -5.530 1.00 0.00 H new ATOM 0 HA TYR A 26 4.566 -2.183 -6.416 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.813 -0.566 -6.802 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.668 -1.406 -8.333 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.958 -1.561 -9.056 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.829 1.531 -6.797 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.201 0.009 -9.748 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.072 3.101 -7.488 1.00 0.00 H new ATOM 0 HH TYR A 26 2.239 2.853 -9.952 1.00 0.00 H new ATOM 451 N LYS A 27 6.874 -4.019 -7.932 1.00 0.00 N ATOM 452 CA LYS A 27 7.073 -5.165 -8.820 1.00 0.00 C ATOM 453 C LYS A 27 6.558 -6.457 -8.185 1.00 0.00 C ATOM 454 O LYS A 27 6.889 -6.769 -7.039 1.00 0.00 O ATOM 455 CB LYS A 27 8.556 -5.319 -9.175 1.00 0.00 C ATOM 456 CG LYS A 27 8.800 -5.803 -10.597 1.00 0.00 C ATOM 457 CD LYS A 27 8.679 -7.316 -10.706 1.00 0.00 C ATOM 458 CE LYS A 27 9.949 -8.018 -10.245 1.00 0.00 C ATOM 459 NZ LYS A 27 10.104 -9.364 -10.869 1.00 0.00 N ATOM 0 H LYS A 27 7.736 -3.627 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 27 6.503 -4.978 -9.730 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.055 -4.360 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.016 -6.020 -8.479 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.084 -5.331 -11.270 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.793 -5.493 -10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.836 -7.658 -10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.466 -7.590 -11.739 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.814 -7.402 -10.493 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.932 -8.122 -9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 10.981 -9.806 -10.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.292 -9.961 -10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.147 -9.264 -11.903 1.00 0.00 H new ATOM 473 N PRO A 28 5.741 -7.229 -8.929 1.00 0.00 N ATOM 474 CA PRO A 28 5.183 -8.494 -8.443 1.00 0.00 C ATOM 475 C PRO A 28 6.163 -9.663 -8.571 1.00 0.00 C ATOM 476 O PRO A 28 7.350 -9.467 -8.838 1.00 0.00 O ATOM 477 CB PRO A 28 3.978 -8.699 -9.359 1.00 0.00 C ATOM 478 CG PRO A 28 4.378 -8.075 -10.651 1.00 0.00 C ATOM 479 CD PRO A 28 5.298 -6.930 -10.308 1.00 0.00 C ATOM 0 HA PRO A 28 4.940 -8.458 -7.381 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.750 -9.758 -9.484 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.085 -8.227 -8.950 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.882 -8.799 -11.292 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.504 -7.720 -11.197 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.142 -6.876 -10.996 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.781 -5.972 -10.362 1.00 0.00 H new ATOM 487 N VAL A 29 5.649 -10.878 -8.387 1.00 0.00 N ATOM 488 CA VAL A 29 6.453 -12.088 -8.486 1.00 0.00 C ATOM 489 C VAL A 29 5.748 -13.105 -9.378 1.00 0.00 C ATOM 490 O VAL A 29 4.693 -13.632 -9.016 1.00 0.00 O ATOM 491 CB VAL A 29 6.718 -12.715 -7.098 1.00 0.00 C ATOM 492 CG1 VAL A 29 7.708 -13.868 -7.208 1.00 0.00 C ATOM 493 CG2 VAL A 29 7.222 -11.663 -6.116 1.00 0.00 C ATOM 0 H VAL A 29 4.668 -11.048 -8.166 1.00 0.00 H new ATOM 0 HA VAL A 29 7.414 -11.813 -8.921 1.00 0.00 H new ATOM 0 HB VAL A 29 5.776 -13.110 -6.718 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.880 -14.295 -6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.302 -14.634 -7.869 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.651 -13.501 -7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.402 -12.127 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.151 -11.232 -6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.474 -10.877 -6.009 1.00 0.00 H new ATOM 503 N ASP A 30 6.323 -13.358 -10.551 1.00 0.00 N ATOM 504 CA ASP A 30 5.745 -14.296 -11.514 1.00 0.00 C ATOM 505 C ASP A 30 5.791 -15.735 -11.000 1.00 0.00 C ATOM 506 O ASP A 30 6.622 -16.535 -11.434 1.00 0.00 O ATOM 507 CB ASP A 30 6.476 -14.196 -12.857 1.00 0.00 C ATOM 508 CG ASP A 30 6.311 -12.838 -13.517 1.00 0.00 C ATOM 509 OD1 ASP A 30 5.201 -12.268 -13.445 1.00 0.00 O ATOM 510 OD2 ASP A 30 7.296 -12.345 -14.106 1.00 0.00 O ATOM 0 H ASP A 30 7.193 -12.925 -10.860 1.00 0.00 H new ATOM 0 HA ASP A 30 4.699 -14.023 -11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.537 -14.394 -12.704 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.101 -14.969 -13.528 1.00 0.00 H new ATOM 515 N ALA A 31 4.884 -16.057 -10.080 1.00 0.00 N ATOM 516 CA ALA A 31 4.804 -17.398 -9.505 1.00 0.00 C ATOM 517 C ALA A 31 4.324 -18.428 -10.532 1.00 0.00 C ATOM 518 O ALA A 31 4.600 -19.620 -10.394 1.00 0.00 O ATOM 519 CB ALA A 31 3.882 -17.396 -8.294 1.00 0.00 C ATOM 0 H ALA A 31 4.191 -15.404 -9.715 1.00 0.00 H new ATOM 0 HA ALA A 31 5.808 -17.684 -9.193 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.830 -18.401 -7.874 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.270 -16.708 -7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.884 -17.078 -8.597 1.00 0.00 H new ATOM 525 N SER A 32 3.600 -17.965 -11.557 1.00 0.00 N ATOM 526 CA SER A 32 3.081 -18.853 -12.600 1.00 0.00 C ATOM 527 C SER A 32 4.206 -19.636 -13.275 1.00 0.00 C ATOM 528 O SER A 32 4.077 -20.838 -13.509 1.00 0.00 O ATOM 529 CB SER A 32 2.300 -18.056 -13.651 1.00 0.00 C ATOM 530 OG SER A 32 0.935 -17.939 -13.288 1.00 0.00 O ATOM 0 H SER A 32 3.361 -16.982 -11.685 1.00 0.00 H new ATOM 0 HA SER A 32 2.408 -19.563 -12.119 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.738 -17.064 -13.759 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.381 -18.548 -14.620 1.00 0.00 H new ATOM 0 HG SER A 32 0.457 -17.425 -13.972 1.00 0.00 H new ATOM 536 N ALA A 33 5.307 -18.952 -13.581 1.00 0.00 N ATOM 537 CA ALA A 33 6.450 -19.592 -14.222 1.00 0.00 C ATOM 538 C ALA A 33 7.531 -19.916 -13.194 1.00 0.00 C ATOM 539 O ALA A 33 7.718 -21.076 -12.824 1.00 0.00 O ATOM 540 CB ALA A 33 7.003 -18.707 -15.332 1.00 0.00 C ATOM 0 H ALA A 33 5.430 -17.957 -13.395 1.00 0.00 H new ATOM 0 HA ALA A 33 6.117 -20.529 -14.668 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.855 -19.200 -15.800 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.229 -18.534 -16.080 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.321 -17.753 -14.912 1.00 0.00 H new ATOM 546 N LEU A 34 8.234 -18.884 -12.726 1.00 0.00 N ATOM 547 CA LEU A 34 9.283 -19.062 -11.734 1.00 0.00 C ATOM 548 C LEU A 34 8.893 -18.416 -10.402 1.00 0.00 C ATOM 549 O LEU A 34 8.378 -19.095 -9.512 1.00 0.00 O ATOM 550 CB LEU A 34 10.616 -18.506 -12.244 1.00 0.00 C ATOM 551 CG LEU A 34 10.531 -17.267 -13.142 1.00 0.00 C ATOM 552 CD1 LEU A 34 11.613 -16.272 -12.763 1.00 0.00 C ATOM 553 CD2 LEU A 34 10.651 -17.661 -14.609 1.00 0.00 C ATOM 0 H LEU A 34 8.092 -17.918 -13.021 1.00 0.00 H new ATOM 0 HA LEU A 34 9.407 -20.131 -11.563 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.238 -18.263 -11.383 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.128 -19.295 -12.795 1.00 0.00 H new ATOM 0 HG LEU A 34 9.559 -16.795 -12.996 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.543 -15.396 -13.407 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.482 -15.970 -11.724 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.592 -16.735 -12.885 1.00 0.00 H new ATOM 0 HD21 LEU A 34 10.588 -16.769 -15.232 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.609 -18.154 -14.776 1.00 0.00 H new ATOM 0 HD23 LEU A 34 9.842 -18.343 -14.870 1.00 0.00 H new ATOM 565 N GLY A 35 9.136 -17.107 -10.270 1.00 0.00 N ATOM 566 CA GLY A 35 8.806 -16.399 -9.046 1.00 0.00 C ATOM 567 C GLY A 35 9.536 -16.963 -7.846 1.00 0.00 C ATOM 568 O GLY A 35 10.617 -16.496 -7.489 1.00 0.00 O ATOM 0 H GLY A 35 9.558 -16.527 -10.995 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.057 -15.344 -9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.731 -16.454 -8.875 1.00 0.00 H new ATOM 572 N LEU A 36 8.936 -17.978 -7.237 1.00 0.00 N ATOM 573 CA LEU A 36 9.507 -18.645 -6.071 1.00 0.00 C ATOM 574 C LEU A 36 8.678 -19.877 -5.718 1.00 0.00 C ATOM 575 O LEU A 36 7.496 -19.762 -5.388 1.00 0.00 O ATOM 576 CB LEU A 36 9.566 -17.689 -4.871 1.00 0.00 C ATOM 577 CG LEU A 36 10.912 -16.989 -4.660 1.00 0.00 C ATOM 578 CD1 LEU A 36 10.726 -15.480 -4.607 1.00 0.00 C ATOM 579 CD2 LEU A 36 11.584 -17.490 -3.391 1.00 0.00 C ATOM 0 H LEU A 36 8.040 -18.363 -7.536 1.00 0.00 H new ATOM 0 HA LEU A 36 10.524 -18.954 -6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.795 -16.929 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.320 -18.249 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 36 11.558 -17.226 -5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.693 -14.999 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.291 -15.134 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.061 -15.224 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.539 -16.981 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.942 -17.285 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.754 -18.564 -3.469 1.00 0.00 H new ATOM 591 N HIS A 37 9.297 -21.056 -5.794 1.00 0.00 N ATOM 592 CA HIS A 37 8.602 -22.303 -5.480 1.00 0.00 C ATOM 593 C HIS A 37 8.081 -22.291 -4.042 1.00 0.00 C ATOM 594 O HIS A 37 7.051 -22.898 -3.743 1.00 0.00 O ATOM 595 CB HIS A 37 9.526 -23.505 -5.693 1.00 0.00 C ATOM 596 CG HIS A 37 8.823 -24.725 -6.209 1.00 0.00 C ATOM 597 ND1 HIS A 37 7.449 -24.865 -6.212 1.00 0.00 N ATOM 598 CD2 HIS A 37 9.314 -25.869 -6.743 1.00 0.00 C ATOM 599 CE1 HIS A 37 7.129 -26.040 -6.724 1.00 0.00 C ATOM 600 NE2 HIS A 37 8.242 -26.667 -7.054 1.00 0.00 N ATOM 0 H HIS A 37 10.272 -21.173 -6.069 1.00 0.00 H new ATOM 0 HA HIS A 37 7.751 -22.390 -6.156 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.313 -23.227 -6.394 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.012 -23.749 -4.749 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.356 -26.109 -6.896 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.127 -26.422 -6.851 1.00 0.00 H new ATOM 0 HE2 HIS A 37 8.297 -27.595 -7.473 1.00 0.00 H new ATOM 609 N ASP A 38 8.795 -21.589 -3.158 1.00 0.00 N ATOM 610 CA ASP A 38 8.400 -21.487 -1.756 1.00 0.00 C ATOM 611 C ASP A 38 7.550 -20.234 -1.501 1.00 0.00 C ATOM 612 O ASP A 38 7.471 -19.751 -0.370 1.00 0.00 O ATOM 613 CB ASP A 38 9.643 -21.469 -0.860 1.00 0.00 C ATOM 614 CG ASP A 38 9.560 -22.483 0.263 1.00 0.00 C ATOM 615 OD1 ASP A 38 9.825 -23.676 0.005 1.00 0.00 O ATOM 616 OD2 ASP A 38 9.231 -22.085 1.399 1.00 0.00 O ATOM 0 H ASP A 38 9.650 -21.084 -3.391 1.00 0.00 H new ATOM 0 HA ASP A 38 7.792 -22.359 -1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.527 -21.672 -1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.769 -20.472 -0.437 1.00 0.00 H new ATOM 621 N TYR A 39 6.912 -19.712 -2.554 1.00 0.00 N ATOM 622 CA TYR A 39 6.072 -18.522 -2.431 1.00 0.00 C ATOM 623 C TYR A 39 4.603 -18.904 -2.271 1.00 0.00 C ATOM 624 O TYR A 39 3.952 -18.494 -1.313 1.00 0.00 O ATOM 625 CB TYR A 39 6.245 -17.614 -3.653 1.00 0.00 C ATOM 626 CG TYR A 39 6.204 -16.135 -3.329 1.00 0.00 C ATOM 627 CD1 TYR A 39 7.239 -15.528 -2.630 1.00 0.00 C ATOM 628 CD2 TYR A 39 5.130 -15.347 -3.726 1.00 0.00 C ATOM 629 CE1 TYR A 39 7.206 -14.178 -2.335 1.00 0.00 C ATOM 630 CE2 TYR A 39 5.091 -13.996 -3.436 1.00 0.00 C ATOM 631 CZ TYR A 39 6.130 -13.417 -2.740 1.00 0.00 C ATOM 632 OH TYR A 39 6.093 -12.072 -2.451 1.00 0.00 O ATOM 0 H TYR A 39 6.963 -20.096 -3.498 1.00 0.00 H new ATOM 0 HA TYR A 39 6.388 -17.980 -1.539 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.196 -17.845 -4.133 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.460 -17.840 -4.375 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.084 -16.121 -2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.313 -15.797 -4.270 1.00 0.00 H new ATOM 0 HE1 TYR A 39 8.019 -13.722 -1.790 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.250 -13.397 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 39 5.267 -11.683 -2.808 1.00 0.00 H new ATOM 642 N HIS A 40 4.086 -19.694 -3.213 1.00 0.00 N ATOM 643 CA HIS A 40 2.688 -20.132 -3.169 1.00 0.00 C ATOM 644 C HIS A 40 2.422 -21.022 -1.953 1.00 0.00 C ATOM 645 O HIS A 40 1.312 -21.037 -1.418 1.00 0.00 O ATOM 646 CB HIS A 40 2.322 -20.884 -4.451 1.00 0.00 C ATOM 647 CG HIS A 40 0.854 -20.879 -4.752 1.00 0.00 C ATOM 648 ND1 HIS A 40 0.118 -20.076 -5.558 1.00 0.00 N flip ATOM 649 CD2 HIS A 40 -0.033 -21.781 -4.202 1.00 0.00 C flip ATOM 650 CE1 HIS A 40 -1.184 -20.504 -5.481 1.00 0.00 C flip ATOM 651 NE2 HIS A 40 -1.249 -21.534 -4.658 1.00 0.00 N flip ATOM 0 H HIS A 40 4.612 -20.044 -4.014 1.00 0.00 H new ATOM 0 HA HIS A 40 2.066 -19.241 -3.085 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.858 -20.438 -5.289 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.664 -21.916 -4.367 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.467 -19.298 -6.118 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.226 -22.566 -3.507 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.020 -20.069 -6.008 1.00 0.00 H new ATOM 660 N ASP A 41 3.446 -21.764 -1.525 1.00 0.00 N ATOM 661 CA ASP A 41 3.325 -22.658 -0.377 1.00 0.00 C ATOM 662 C ASP A 41 3.056 -21.876 0.910 1.00 0.00 C ATOM 663 O ASP A 41 2.178 -22.242 1.692 1.00 0.00 O ATOM 664 CB ASP A 41 4.596 -23.500 -0.222 1.00 0.00 C ATOM 665 CG ASP A 41 4.396 -24.696 0.691 1.00 0.00 C ATOM 666 OD1 ASP A 41 3.439 -25.466 0.462 1.00 0.00 O ATOM 667 OD2 ASP A 41 5.199 -24.864 1.633 1.00 0.00 O ATOM 0 H ASP A 41 4.369 -21.761 -1.959 1.00 0.00 H new ATOM 0 HA ASP A 41 2.477 -23.319 -0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.920 -23.847 -1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.396 -22.874 0.175 1.00 0.00 H new ATOM 672 N ILE A 42 3.816 -20.800 1.126 1.00 0.00 N ATOM 673 CA ILE A 42 3.654 -19.975 2.323 1.00 0.00 C ATOM 674 C ILE A 42 2.636 -18.859 2.097 1.00 0.00 C ATOM 675 O ILE A 42 1.683 -18.714 2.864 1.00 0.00 O ATOM 676 CB ILE A 42 4.991 -19.348 2.775 1.00 0.00 C ATOM 677 CG1 ILE A 42 6.089 -20.413 2.845 1.00 0.00 C ATOM 678 CG2 ILE A 42 4.828 -18.664 4.128 1.00 0.00 C ATOM 679 CD1 ILE A 42 7.439 -19.861 3.247 1.00 0.00 C ATOM 0 H ILE A 42 4.547 -20.481 0.490 1.00 0.00 H new ATOM 0 HA ILE A 42 3.293 -20.641 3.107 1.00 0.00 H new ATOM 0 HB ILE A 42 5.284 -18.599 2.040 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.793 -21.183 3.558 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.178 -20.897 1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.779 -18.227 4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.077 -17.878 4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.511 -19.397 4.870 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.169 -20.670 3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.757 -19.112 2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.366 -19.403 4.233 1.00 0.00 H new ATOM 691 N ILE A 43 2.847 -18.067 1.047 1.00 0.00 N ATOM 692 CA ILE A 43 1.951 -16.960 0.726 1.00 0.00 C ATOM 693 C ILE A 43 0.573 -17.471 0.298 1.00 0.00 C ATOM 694 O ILE A 43 -0.402 -17.328 1.037 1.00 0.00 O ATOM 695 CB ILE A 43 2.538 -16.053 -0.386 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.969 -15.625 -0.038 1.00 0.00 C ATOM 697 CG2 ILE A 43 1.656 -14.831 -0.605 1.00 0.00 C ATOM 698 CD1 ILE A 43 4.084 -14.878 1.275 1.00 0.00 C ATOM 0 H ILE A 43 3.632 -18.172 0.404 1.00 0.00 H new ATOM 0 HA ILE A 43 1.843 -16.367 1.634 1.00 0.00 H new ATOM 0 HB ILE A 43 2.567 -16.627 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.603 -16.511 0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.354 -14.994 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.086 -14.208 -1.389 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.658 -15.152 -0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.592 -14.258 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.126 -14.609 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.478 -13.973 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.731 -15.513 2.087 1.00 0.00 H new ATOM 710 N LYS A 44 0.501 -18.060 -0.903 1.00 0.00 N ATOM 711 CA LYS A 44 -0.749 -18.598 -1.456 1.00 0.00 C ATOM 712 C LYS A 44 -1.641 -17.497 -2.039 1.00 0.00 C ATOM 713 O LYS A 44 -2.399 -17.744 -2.981 1.00 0.00 O ATOM 714 CB LYS A 44 -1.515 -19.389 -0.394 1.00 0.00 C ATOM 715 CG LYS A 44 -2.346 -20.530 -0.964 1.00 0.00 C ATOM 716 CD LYS A 44 -3.747 -20.069 -1.340 1.00 0.00 C ATOM 717 CE LYS A 44 -4.205 -20.678 -2.659 1.00 0.00 C ATOM 718 NZ LYS A 44 -4.843 -19.668 -3.551 1.00 0.00 N ATOM 0 H LYS A 44 1.306 -18.177 -1.518 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.475 -19.268 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.805 -19.793 0.328 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.171 -18.710 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.849 -20.939 -1.843 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.411 -21.335 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.445 -20.345 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.764 -18.982 -1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.350 -21.123 -3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.912 -21.483 -2.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.955 -20.068 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.777 -19.411 -3.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.243 -18.820 -3.600 1.00 0.00 H new ATOM 732 N HIS A 45 -1.548 -16.288 -1.483 1.00 0.00 N ATOM 733 CA HIS A 45 -2.344 -15.156 -1.952 1.00 0.00 C ATOM 734 C HIS A 45 -1.498 -13.879 -1.995 1.00 0.00 C ATOM 735 O HIS A 45 -1.760 -12.923 -1.262 1.00 0.00 O ATOM 736 CB HIS A 45 -3.560 -14.952 -1.041 1.00 0.00 C ATOM 737 CG HIS A 45 -4.806 -15.621 -1.533 1.00 0.00 C ATOM 738 ND1 HIS A 45 -5.671 -15.035 -2.432 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.341 -16.829 -1.233 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.684 -15.850 -2.662 1.00 0.00 C ATOM 741 NE2 HIS A 45 -6.509 -16.947 -1.947 1.00 0.00 N ATOM 0 H HIS A 45 -0.926 -16.069 -0.705 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.690 -15.374 -2.962 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.324 -15.331 -0.047 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.749 -13.884 -0.938 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.926 -17.563 -0.558 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.515 -15.653 -3.323 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.138 -17.750 -1.928 1.00 0.00 H new ATOM 750 N PRO A 46 -0.462 -13.851 -2.856 1.00 0.00 N ATOM 751 CA PRO A 46 0.428 -12.690 -2.987 1.00 0.00 C ATOM 752 C PRO A 46 -0.250 -11.502 -3.667 1.00 0.00 C ATOM 753 O PRO A 46 -1.113 -11.678 -4.530 1.00 0.00 O ATOM 754 CB PRO A 46 1.576 -13.218 -3.848 1.00 0.00 C ATOM 755 CG PRO A 46 0.975 -14.326 -4.643 1.00 0.00 C ATOM 756 CD PRO A 46 -0.073 -14.948 -3.763 1.00 0.00 C ATOM 0 HA PRO A 46 0.744 -12.311 -2.015 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.976 -12.438 -4.496 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.401 -13.575 -3.232 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.535 -13.949 -5.566 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.732 -15.058 -4.926 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.922 -15.308 -4.344 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.321 -15.802 -3.213 1.00 0.00 H new ATOM 764 N MET A 47 0.152 -10.295 -3.271 1.00 0.00 N ATOM 765 CA MET A 47 -0.406 -9.070 -3.838 1.00 0.00 C ATOM 766 C MET A 47 0.689 -8.029 -4.057 1.00 0.00 C ATOM 767 O MET A 47 1.520 -7.796 -3.177 1.00 0.00 O ATOM 768 CB MET A 47 -1.493 -8.501 -2.919 1.00 0.00 C ATOM 769 CG MET A 47 -2.908 -8.801 -3.387 1.00 0.00 C ATOM 770 SD MET A 47 -3.265 -8.105 -5.013 1.00 0.00 S ATOM 771 CE MET A 47 -3.551 -6.388 -4.594 1.00 0.00 C ATOM 0 H MET A 47 0.864 -10.140 -2.558 1.00 0.00 H new ATOM 0 HA MET A 47 -0.852 -9.315 -4.802 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.358 -8.907 -1.916 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.365 -7.421 -2.846 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.055 -9.881 -3.418 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.618 -8.403 -2.662 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.287 -5.965 -5.277 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.923 -6.320 -3.572 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.617 -5.833 -4.678 1.00 0.00 H new ATOM 781 N ASP A 48 0.684 -7.410 -5.236 1.00 0.00 N ATOM 782 CA ASP A 48 1.678 -6.392 -5.579 1.00 0.00 C ATOM 783 C ASP A 48 1.035 -5.009 -5.689 1.00 0.00 C ATOM 784 O ASP A 48 -0.175 -4.890 -5.893 1.00 0.00 O ATOM 785 CB ASP A 48 2.376 -6.749 -6.896 1.00 0.00 C ATOM 786 CG ASP A 48 1.401 -6.899 -8.048 1.00 0.00 C ATOM 787 OD1 ASP A 48 0.821 -7.994 -8.196 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.213 -5.920 -8.798 1.00 0.00 O ATOM 0 H ASP A 48 0.002 -7.595 -5.972 1.00 0.00 H new ATOM 0 HA ASP A 48 2.418 -6.364 -4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.104 -5.975 -7.139 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.930 -7.679 -6.769 1.00 0.00 H new ATOM 793 N LEU A 49 1.855 -3.967 -5.549 1.00 0.00 N ATOM 794 CA LEU A 49 1.369 -2.588 -5.627 1.00 0.00 C ATOM 795 C LEU A 49 0.814 -2.249 -7.013 1.00 0.00 C ATOM 796 O LEU A 49 -0.089 -1.419 -7.129 1.00 0.00 O ATOM 797 CB LEU A 49 2.482 -1.602 -5.266 1.00 0.00 C ATOM 798 CG LEU A 49 2.075 -0.505 -4.278 1.00 0.00 C ATOM 799 CD1 LEU A 49 2.652 -0.787 -2.900 1.00 0.00 C ATOM 800 CD2 LEU A 49 2.522 0.861 -4.782 1.00 0.00 C ATOM 0 H LEU A 49 2.858 -4.051 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 49 0.555 -2.499 -4.907 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.318 -2.159 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.842 -1.132 -6.181 1.00 0.00 H new ATOM 0 HG LEU A 49 0.988 -0.499 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.352 0.003 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.278 -1.745 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.740 -0.822 -2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.224 1.628 -4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.606 0.871 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.056 1.063 -5.746 1.00 0.00 H new ATOM 812 N SER A 50 1.352 -2.881 -8.061 1.00 0.00 N ATOM 813 CA SER A 50 0.889 -2.621 -9.425 1.00 0.00 C ATOM 814 C SER A 50 -0.610 -2.885 -9.551 1.00 0.00 C ATOM 815 O SER A 50 -1.326 -2.133 -10.219 1.00 0.00 O ATOM 816 CB SER A 50 1.659 -3.471 -10.440 1.00 0.00 C ATOM 817 OG SER A 50 2.111 -2.679 -11.526 1.00 0.00 O ATOM 0 H SER A 50 2.101 -3.570 -7.991 1.00 0.00 H new ATOM 0 HA SER A 50 1.078 -1.570 -9.642 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.510 -3.945 -9.952 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.018 -4.271 -10.810 1.00 0.00 H new ATOM 0 HG SER A 50 2.601 -3.243 -12.160 1.00 0.00 H new ATOM 823 N THR A 51 -1.084 -3.947 -8.900 1.00 0.00 N ATOM 824 CA THR A 51 -2.503 -4.294 -8.937 1.00 0.00 C ATOM 825 C THR A 51 -3.336 -3.254 -8.188 1.00 0.00 C ATOM 826 O THR A 51 -4.412 -2.867 -8.647 1.00 0.00 O ATOM 827 CB THR A 51 -2.741 -5.688 -8.341 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.681 -6.564 -8.674 1.00 0.00 O ATOM 829 CG2 THR A 51 -4.026 -6.329 -8.820 1.00 0.00 C ATOM 0 H THR A 51 -0.509 -4.579 -8.343 1.00 0.00 H new ATOM 0 HA THR A 51 -2.816 -4.305 -9.981 1.00 0.00 H new ATOM 0 HB THR A 51 -2.804 -5.534 -7.264 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.851 -7.447 -8.283 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.135 -7.312 -8.362 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.872 -5.702 -8.539 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.997 -6.435 -9.904 1.00 0.00 H new ATOM 837 N VAL A 52 -2.831 -2.796 -7.041 1.00 0.00 N ATOM 838 CA VAL A 52 -3.530 -1.792 -6.239 1.00 0.00 C ATOM 839 C VAL A 52 -3.659 -0.476 -7.008 1.00 0.00 C ATOM 840 O VAL A 52 -4.710 0.169 -6.978 1.00 0.00 O ATOM 841 CB VAL A 52 -2.813 -1.530 -4.895 1.00 0.00 C ATOM 842 CG1 VAL A 52 -3.659 -0.635 -4.000 1.00 0.00 C ATOM 843 CG2 VAL A 52 -2.488 -2.844 -4.192 1.00 0.00 C ATOM 0 H VAL A 52 -1.942 -3.104 -6.648 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.523 -2.190 -6.029 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.875 -1.015 -5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.136 -0.463 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.832 0.319 -4.499 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.615 -1.119 -3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.984 -2.637 -3.248 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.411 -3.391 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.837 -3.445 -4.827 1.00 0.00 H new ATOM 853 N LYS A 53 -2.589 -0.090 -7.707 1.00 0.00 N ATOM 854 CA LYS A 53 -2.588 1.140 -8.496 1.00 0.00 C ATOM 855 C LYS A 53 -3.633 1.059 -9.609 1.00 0.00 C ATOM 856 O LYS A 53 -4.375 2.014 -9.846 1.00 0.00 O ATOM 857 CB LYS A 53 -1.198 1.392 -9.093 1.00 0.00 C ATOM 858 CG LYS A 53 -1.070 2.731 -9.805 1.00 0.00 C ATOM 859 CD LYS A 53 -1.244 2.581 -11.308 1.00 0.00 C ATOM 860 CE LYS A 53 -1.151 3.923 -12.019 1.00 0.00 C ATOM 861 NZ LYS A 53 -2.330 4.792 -11.740 1.00 0.00 N ATOM 0 H LYS A 53 -1.714 -0.612 -7.741 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.841 1.972 -7.839 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.456 1.342 -8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.964 0.593 -9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.818 3.423 -9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.093 3.166 -9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.480 1.908 -11.698 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.210 2.123 -11.519 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.242 4.436 -11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.070 3.758 -13.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.795 5.044 -12.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.002 4.281 -11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.016 5.658 -11.257 1.00 0.00 H new ATOM 875 N ARG A 54 -3.690 -0.093 -10.281 1.00 0.00 N ATOM 876 CA ARG A 54 -4.650 -0.310 -11.362 1.00 0.00 C ATOM 877 C ARG A 54 -6.084 -0.268 -10.834 1.00 0.00 C ATOM 878 O ARG A 54 -6.987 0.228 -11.510 1.00 0.00 O ATOM 879 CB ARG A 54 -4.385 -1.653 -12.052 1.00 0.00 C ATOM 880 CG ARG A 54 -4.496 -1.595 -13.567 1.00 0.00 C ATOM 881 CD ARG A 54 -5.874 -2.029 -14.050 1.00 0.00 C ATOM 882 NE ARG A 54 -5.798 -2.881 -15.237 1.00 0.00 N ATOM 883 CZ ARG A 54 -5.410 -2.454 -16.443 1.00 0.00 C ATOM 884 NH1 ARG A 54 -5.068 -1.181 -16.632 1.00 0.00 N ATOM 885 NH2 ARG A 54 -5.366 -3.302 -17.464 1.00 0.00 N ATOM 0 H ARG A 54 -3.081 -0.890 -10.094 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.526 0.492 -12.089 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.387 -1.999 -11.783 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.091 -2.392 -11.673 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.295 -0.579 -13.908 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.736 -2.237 -14.012 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.385 -2.566 -13.251 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.473 -1.147 -14.275 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.057 -3.863 -15.138 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.101 -0.523 -15.853 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.773 -0.864 -17.556 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.628 -4.278 -17.328 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.070 -2.977 -18.384 1.00 0.00 H new ATOM 899 N LYS A 55 -6.286 -0.785 -9.620 1.00 0.00 N ATOM 900 CA LYS A 55 -7.610 -0.798 -9.001 1.00 0.00 C ATOM 901 C LYS A 55 -8.153 0.621 -8.856 1.00 0.00 C ATOM 902 O LYS A 55 -9.311 0.884 -9.176 1.00 0.00 O ATOM 903 CB LYS A 55 -7.557 -1.473 -7.627 1.00 0.00 C ATOM 904 CG LYS A 55 -7.613 -2.993 -7.684 1.00 0.00 C ATOM 905 CD LYS A 55 -6.729 -3.621 -6.617 1.00 0.00 C ATOM 906 CE LYS A 55 -7.098 -5.078 -6.362 1.00 0.00 C ATOM 907 NZ LYS A 55 -7.042 -5.903 -7.604 1.00 0.00 N ATOM 0 H LYS A 55 -5.550 -1.199 -9.048 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.277 -1.366 -9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.640 -1.172 -7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.389 -1.111 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.642 -3.326 -7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.295 -3.334 -8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.686 -3.559 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.820 -3.055 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.420 -5.497 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.102 -5.128 -5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.980 -6.311 -7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.757 -5.305 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.350 -6.669 -7.481 1.00 0.00 H new ATOM 921 N MET A 56 -7.307 1.536 -8.380 1.00 0.00 N ATOM 922 CA MET A 56 -7.707 2.934 -8.202 1.00 0.00 C ATOM 923 C MET A 56 -8.095 3.570 -9.540 1.00 0.00 C ATOM 924 O MET A 56 -8.979 4.425 -9.594 1.00 0.00 O ATOM 925 CB MET A 56 -6.580 3.744 -7.555 1.00 0.00 C ATOM 926 CG MET A 56 -6.078 3.168 -6.238 1.00 0.00 C ATOM 927 SD MET A 56 -5.708 4.442 -5.017 1.00 0.00 S ATOM 928 CE MET A 56 -7.295 4.602 -4.203 1.00 0.00 C ATOM 0 H MET A 56 -6.344 1.336 -8.111 1.00 0.00 H new ATOM 0 HA MET A 56 -8.576 2.946 -7.544 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.745 3.807 -8.253 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.930 4.762 -7.384 1.00 0.00 H new ATOM 0 HG2 MET A 56 -6.829 2.490 -5.833 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.181 2.577 -6.423 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.232 5.369 -3.431 1.00 0.00 H new ATOM 0 HE2 MET A 56 -8.052 4.885 -4.934 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.568 3.650 -3.748 1.00 0.00 H new ATOM 938 N GLU A 57 -7.430 3.146 -10.617 1.00 0.00 N ATOM 939 CA GLU A 57 -7.709 3.673 -11.954 1.00 0.00 C ATOM 940 C GLU A 57 -9.055 3.177 -12.481 1.00 0.00 C ATOM 941 O GLU A 57 -9.724 3.872 -13.246 1.00 0.00 O ATOM 942 CB GLU A 57 -6.602 3.270 -12.928 1.00 0.00 C ATOM 943 CG GLU A 57 -5.302 4.025 -12.715 1.00 0.00 C ATOM 944 CD GLU A 57 -5.001 5.008 -13.832 1.00 0.00 C ATOM 945 OE1 GLU A 57 -5.908 5.782 -14.205 1.00 0.00 O ATOM 946 OE2 GLU A 57 -3.855 5.007 -14.327 1.00 0.00 O ATOM 0 H GLU A 57 -6.695 2.439 -10.589 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.748 4.759 -11.875 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.413 2.201 -12.828 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.948 3.438 -13.948 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.351 4.562 -11.768 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.482 3.311 -12.635 1.00 0.00 H new ATOM 953 N ASN A 58 -9.448 1.974 -12.066 1.00 0.00 N ATOM 954 CA ASN A 58 -10.711 1.389 -12.491 1.00 0.00 C ATOM 955 C ASN A 58 -11.784 1.556 -11.411 1.00 0.00 C ATOM 956 O ASN A 58 -12.928 1.136 -11.596 1.00 0.00 O ATOM 957 CB ASN A 58 -10.513 -0.097 -12.813 1.00 0.00 C ATOM 958 CG ASN A 58 -10.674 -0.396 -14.293 1.00 0.00 C ATOM 959 OD1 ASN A 58 -11.690 -0.942 -14.719 1.00 0.00 O ATOM 960 ND2 ASN A 58 -9.668 -0.039 -15.085 1.00 0.00 N ATOM 0 H ASN A 58 -8.905 1.386 -11.433 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.048 1.910 -13.387 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.520 -0.407 -12.489 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.232 -0.688 -12.246 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.721 -0.216 -16.088 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.843 0.412 -14.690 1.00 0.00 H new ATOM 967 N ARG A 59 -11.406 2.161 -10.277 1.00 0.00 N ATOM 968 CA ARG A 59 -12.322 2.370 -9.166 1.00 0.00 C ATOM 969 C ARG A 59 -12.744 1.030 -8.560 1.00 0.00 C ATOM 970 O ARG A 59 -13.878 0.866 -8.102 1.00 0.00 O ATOM 971 CB ARG A 59 -13.544 3.161 -9.624 1.00 0.00 C ATOM 972 CG ARG A 59 -14.299 3.815 -8.478 1.00 0.00 C ATOM 973 CD ARG A 59 -15.730 4.150 -8.866 1.00 0.00 C ATOM 974 NE ARG A 59 -16.686 3.784 -7.820 1.00 0.00 N ATOM 975 CZ ARG A 59 -17.113 2.538 -7.601 1.00 0.00 C ATOM 976 NH1 ARG A 59 -16.644 1.526 -8.327 1.00 0.00 N ATOM 977 NH2 ARG A 59 -18.002 2.303 -6.645 1.00 0.00 N ATOM 0 H ARG A 59 -10.463 2.514 -10.112 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.807 2.947 -8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.227 3.931 -10.328 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.219 2.495 -10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.302 3.147 -7.616 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.782 4.725 -8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.809 5.218 -9.071 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.986 3.629 -9.789 1.00 0.00 H new ATOM 0 HE ARG A 59 -17.048 4.526 -7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.953 1.699 -9.057 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.975 0.577 -8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.358 3.073 -6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.330 1.352 -6.476 1.00 0.00 H new ATOM 991 N ASP A 60 -11.812 0.077 -8.555 1.00 0.00 N ATOM 992 CA ASP A 60 -12.058 -1.251 -8.004 1.00 0.00 C ATOM 993 C ASP A 60 -12.366 -1.175 -6.513 1.00 0.00 C ATOM 994 O ASP A 60 -13.156 -1.963 -5.993 1.00 0.00 O ATOM 995 CB ASP A 60 -10.838 -2.143 -8.230 1.00 0.00 C ATOM 996 CG ASP A 60 -11.131 -3.606 -7.968 1.00 0.00 C ATOM 997 OD1 ASP A 60 -11.137 -4.006 -6.787 1.00 0.00 O ATOM 998 OD2 ASP A 60 -11.350 -4.351 -8.945 1.00 0.00 O ATOM 0 H ASP A 60 -10.872 0.204 -8.931 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.922 -1.676 -8.515 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.490 -2.024 -9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.027 -1.816 -7.579 1.00 0.00 H new ATOM 1003 N TYR A 61 -11.740 -0.217 -5.834 1.00 0.00 N ATOM 1004 CA TYR A 61 -11.948 -0.028 -4.414 1.00 0.00 C ATOM 1005 C TYR A 61 -13.164 0.851 -4.178 1.00 0.00 C ATOM 1006 O TYR A 61 -13.063 2.080 -4.173 1.00 0.00 O ATOM 1007 CB TYR A 61 -10.714 0.609 -3.773 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.527 -0.321 -3.670 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.550 -1.416 -2.815 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.382 -0.100 -4.424 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.463 -2.263 -2.715 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.293 -0.943 -4.331 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.337 -2.023 -3.475 1.00 0.00 C ATOM 1014 OH TYR A 61 -6.247 -2.858 -3.379 1.00 0.00 O ATOM 0 H TYR A 61 -11.082 0.440 -6.254 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.117 -1.002 -3.956 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.427 1.485 -4.354 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.976 0.960 -2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.431 -1.608 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.343 0.746 -5.094 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.495 -3.109 -2.045 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.411 -0.758 -4.926 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.726 -2.626 -2.582 1.00 0.00 H new ATOM 1024 N ARG A 62 -14.314 0.219 -3.972 1.00 0.00 N ATOM 1025 CA ARG A 62 -15.547 0.956 -3.720 1.00 0.00 C ATOM 1026 C ARG A 62 -15.697 1.262 -2.228 1.00 0.00 C ATOM 1027 O ARG A 62 -16.811 1.467 -1.737 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.764 0.171 -4.224 1.00 0.00 C ATOM 1029 CG ARG A 62 -16.782 -1.285 -3.785 1.00 0.00 C ATOM 1030 CD ARG A 62 -18.135 -1.685 -3.222 1.00 0.00 C ATOM 1031 NE ARG A 62 -18.018 -2.264 -1.885 1.00 0.00 N ATOM 1032 CZ ARG A 62 -19.057 -2.670 -1.153 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -20.298 -2.567 -1.623 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -18.852 -3.181 0.055 1.00 0.00 N ATOM 0 H ARG A 62 -14.418 -0.796 -3.974 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.494 1.898 -4.266 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -17.672 0.659 -3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.785 0.212 -5.313 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.538 -1.924 -4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -16.012 -1.447 -3.031 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.785 -0.811 -3.184 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.608 -2.405 -3.890 1.00 0.00 H new ATOM 0 HE ARG A 62 -17.084 -2.364 -1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -20.461 -2.175 -2.550 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -21.086 -2.880 -1.056 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.903 -3.262 0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.643 -3.493 0.618 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.568 1.291 -1.509 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.574 1.569 -0.075 1.00 0.00 C ATOM 1050 C ASP A 63 -13.152 1.741 0.457 1.00 0.00 C ATOM 1051 O ASP A 63 -12.197 1.208 -0.115 1.00 0.00 O ATOM 1052 CB ASP A 63 -15.286 0.440 0.682 1.00 0.00 C ATOM 1053 CG ASP A 63 -15.595 0.796 2.125 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -15.883 1.981 2.401 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -15.549 -0.111 2.979 1.00 0.00 O ATOM 0 H ASP A 63 -13.641 1.125 -1.901 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.114 2.502 0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.215 0.194 0.167 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.663 -0.454 0.660 1.00 0.00 H new ATOM 1060 N ALA A 64 -13.019 2.483 1.557 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.714 2.722 2.171 1.00 0.00 C ATOM 1062 C ALA A 64 -11.221 1.483 2.915 1.00 0.00 C ATOM 1063 O ALA A 64 -10.024 1.188 2.916 1.00 0.00 O ATOM 1064 CB ALA A 64 -11.776 3.916 3.111 1.00 0.00 C ATOM 0 H ALA A 64 -13.799 2.928 2.040 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.004 2.943 1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.795 4.078 3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.071 4.804 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.506 3.723 3.897 1.00 0.00 H new ATOM 1070 N GLN A 65 -12.149 0.757 3.544 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.802 -0.454 4.287 1.00 0.00 C ATOM 1072 C GLN A 65 -11.110 -1.471 3.379 1.00 0.00 C ATOM 1073 O GLN A 65 -10.155 -2.129 3.791 1.00 0.00 O ATOM 1074 CB GLN A 65 -13.052 -1.082 4.911 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.164 -0.862 6.411 1.00 0.00 C ATOM 1076 CD GLN A 65 -14.103 0.277 6.765 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -15.229 0.343 6.273 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -13.644 1.180 7.623 1.00 0.00 N ATOM 0 H GLN A 65 -13.143 0.987 3.553 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.113 -0.171 5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.936 -0.669 4.425 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.049 -2.153 4.709 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.516 -1.779 6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.175 -0.653 6.819 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.704 1.087 8.007 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.232 1.967 7.898 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.596 -1.591 2.142 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.020 -2.526 1.177 1.00 0.00 C ATOM 1089 C GLU A 66 -9.575 -2.151 0.844 1.00 0.00 C ATOM 1090 O GLU A 66 -8.707 -3.019 0.750 1.00 0.00 O ATOM 1091 CB GLU A 66 -11.858 -2.554 -0.102 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.062 -3.479 -0.024 1.00 0.00 C ATOM 1093 CD GLU A 66 -12.893 -4.725 -0.870 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -12.983 -4.616 -2.111 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -12.669 -5.809 -0.292 1.00 0.00 O ATOM 0 H GLU A 66 -12.386 -1.053 1.786 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.023 -3.518 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.201 -1.543 -0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.225 -2.865 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.227 -3.768 1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.952 -2.940 -0.350 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.325 -0.853 0.672 1.00 0.00 N ATOM 1103 CA PHE A 67 -7.985 -0.362 0.356 1.00 0.00 C ATOM 1104 C PHE A 67 -7.016 -0.660 1.501 1.00 0.00 C ATOM 1105 O PHE A 67 -5.917 -1.168 1.276 1.00 0.00 O ATOM 1106 CB PHE A 67 -8.028 1.144 0.078 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.691 1.742 -0.275 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -6.001 1.322 -1.402 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -6.130 2.729 0.520 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -4.777 1.874 -1.727 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -4.906 3.285 0.199 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.229 2.857 -0.926 1.00 0.00 C ATOM 0 H PHE A 67 -10.033 -0.123 0.746 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.630 -0.877 -0.537 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.725 1.332 -0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.421 1.654 0.957 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.425 0.555 -2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.655 3.068 1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.249 1.537 -2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.480 4.053 0.827 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.273 3.290 -1.179 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.436 -0.345 2.728 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.611 -0.583 3.912 1.00 0.00 C ATOM 1124 C ALA A 68 -6.368 -2.076 4.122 1.00 0.00 C ATOM 1125 O ALA A 68 -5.260 -2.487 4.469 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.259 0.023 5.147 1.00 0.00 C ATOM 0 H ALA A 68 -8.344 0.076 2.927 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.647 -0.100 3.750 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.630 -0.165 6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.374 1.098 5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.238 -0.429 5.303 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.410 -2.882 3.906 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.311 -4.331 4.067 1.00 0.00 C ATOM 1134 C ALA A 69 -6.229 -4.907 3.156 1.00 0.00 C ATOM 1135 O ALA A 69 -5.440 -5.753 3.577 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.652 -4.994 3.782 1.00 0.00 C ATOM 0 H ALA A 69 -8.332 -2.554 3.619 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.034 -4.538 5.101 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.558 -6.073 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.401 -4.612 4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.957 -4.772 2.759 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.198 -4.436 1.909 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.211 -4.895 0.935 1.00 0.00 C ATOM 1144 C ASP A 70 -3.793 -4.527 1.373 1.00 0.00 C ATOM 1145 O ASP A 70 -2.855 -5.297 1.165 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.509 -4.299 -0.444 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.401 -5.195 -1.282 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -7.543 -5.465 -0.855 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -5.960 -5.623 -2.369 1.00 0.00 O ATOM 0 H ASP A 70 -6.847 -3.736 1.550 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.277 -5.981 0.874 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.988 -3.327 -0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.571 -4.128 -0.973 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.643 -3.352 1.986 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.336 -2.898 2.455 1.00 0.00 C ATOM 1156 C VAL A 71 -1.847 -3.755 3.620 1.00 0.00 C ATOM 1157 O VAL A 71 -0.692 -4.183 3.645 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.365 -1.420 2.901 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -0.962 -0.939 3.247 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -2.987 -0.537 1.826 1.00 0.00 C ATOM 0 H VAL A 71 -4.407 -2.701 2.168 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.652 -2.996 1.612 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.985 -1.348 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.002 0.105 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.559 -1.545 4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.319 -1.032 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.995 0.499 2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.403 -0.614 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.009 -0.864 1.633 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.733 -4.004 4.583 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.389 -4.811 5.749 1.00 0.00 C ATOM 1172 C ARG A 72 -2.058 -6.247 5.340 1.00 0.00 C ATOM 1173 O ARG A 72 -1.122 -6.847 5.868 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.535 -4.795 6.767 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.630 -3.494 7.551 1.00 0.00 C ATOM 1176 CD ARG A 72 -5.054 -3.215 8.012 1.00 0.00 C ATOM 1177 NE ARG A 72 -5.237 -1.820 8.416 1.00 0.00 N ATOM 1178 CZ ARG A 72 -4.750 -1.297 9.547 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -4.069 -2.055 10.404 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -4.952 -0.014 9.825 1.00 0.00 N ATOM 0 H ARG A 72 -3.693 -3.658 4.578 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.503 -4.377 6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.477 -4.966 6.245 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.403 -5.622 7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.970 -3.543 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.281 -2.669 6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.749 -3.453 7.207 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.299 -3.870 8.848 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.769 -1.209 7.797 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.915 -3.043 10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.701 -1.648 11.264 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.478 0.572 9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.581 0.386 10.687 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.825 -6.789 4.391 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.605 -8.152 3.906 1.00 0.00 C ATOM 1196 C LEU A 73 -1.264 -8.265 3.179 1.00 0.00 C ATOM 1197 O LEU A 73 -0.508 -9.212 3.401 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.743 -8.572 2.968 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.701 -10.031 2.497 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -5.078 -10.669 2.609 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -3.187 -10.118 1.065 1.00 0.00 C ATOM 0 H LEU A 73 -3.603 -6.304 3.944 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.587 -8.818 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.692 -8.399 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.727 -7.924 2.092 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.014 -10.579 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.028 -11.704 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.408 -10.643 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.786 -10.118 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.165 -11.161 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.847 -9.554 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.181 -9.702 1.014 1.00 0.00 H new ATOM 1213 N MET A 74 -0.976 -7.292 2.311 1.00 0.00 N ATOM 1214 CA MET A 74 0.275 -7.285 1.552 1.00 0.00 C ATOM 1215 C MET A 74 1.482 -7.213 2.484 1.00 0.00 C ATOM 1216 O MET A 74 2.438 -7.975 2.331 1.00 0.00 O ATOM 1217 CB MET A 74 0.304 -6.104 0.576 1.00 0.00 C ATOM 1218 CG MET A 74 1.195 -6.334 -0.636 1.00 0.00 C ATOM 1219 SD MET A 74 2.555 -5.154 -0.739 1.00 0.00 S ATOM 1220 CE MET A 74 1.873 -3.947 -1.874 1.00 0.00 C ATOM 0 H MET A 74 -1.591 -6.501 2.117 1.00 0.00 H new ATOM 0 HA MET A 74 0.327 -8.216 0.988 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.711 -5.900 0.236 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.648 -5.215 1.105 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.600 -7.345 -0.597 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.593 -6.267 -1.542 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.635 -3.656 -2.597 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.022 -4.381 -2.399 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.546 -3.069 -1.318 1.00 0.00 H new ATOM 1230 N PHE A 75 1.430 -6.296 3.451 1.00 0.00 N ATOM 1231 CA PHE A 75 2.522 -6.129 4.409 1.00 0.00 C ATOM 1232 C PHE A 75 2.639 -7.349 5.322 1.00 0.00 C ATOM 1233 O PHE A 75 3.746 -7.763 5.674 1.00 0.00 O ATOM 1234 CB PHE A 75 2.317 -4.861 5.243 1.00 0.00 C ATOM 1235 CG PHE A 75 2.828 -3.614 4.573 1.00 0.00 C ATOM 1236 CD1 PHE A 75 2.236 -3.142 3.411 1.00 0.00 C ATOM 1237 CD2 PHE A 75 3.903 -2.917 5.101 1.00 0.00 C ATOM 1238 CE1 PHE A 75 2.705 -2.001 2.791 1.00 0.00 C ATOM 1239 CE2 PHE A 75 4.377 -1.775 4.484 1.00 0.00 C ATOM 1240 CZ PHE A 75 3.777 -1.316 3.328 1.00 0.00 C ATOM 0 H PHE A 75 0.645 -5.659 3.591 1.00 0.00 H new ATOM 0 HA PHE A 75 3.451 -6.031 3.847 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.254 -4.742 5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.820 -4.981 6.202 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.398 -3.674 2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.376 -3.270 6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.234 -1.645 1.887 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.216 -1.242 4.906 1.00 0.00 H new ATOM 0 HZ PHE A 75 4.145 -0.423 2.845 1.00 0.00 H new ATOM 1250 N SER A 76 1.495 -7.925 5.696 1.00 0.00 N ATOM 1251 CA SER A 76 1.473 -9.104 6.561 1.00 0.00 C ATOM 1252 C SER A 76 2.157 -10.292 5.884 1.00 0.00 C ATOM 1253 O SER A 76 2.828 -11.088 6.542 1.00 0.00 O ATOM 1254 CB SER A 76 0.034 -9.477 6.935 1.00 0.00 C ATOM 1255 OG SER A 76 -0.373 -8.819 8.123 1.00 0.00 O ATOM 0 H SER A 76 0.573 -7.594 5.413 1.00 0.00 H new ATOM 0 HA SER A 76 2.021 -8.858 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.638 -9.209 6.119 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.042 -10.556 7.069 1.00 0.00 H new ATOM 0 HG SER A 76 -0.764 -7.949 7.898 1.00 0.00 H new ATOM 1261 N ASN A 77 1.982 -10.406 4.565 1.00 0.00 N ATOM 1262 CA ASN A 77 2.584 -11.498 3.802 1.00 0.00 C ATOM 1263 C ASN A 77 4.107 -11.432 3.853 1.00 0.00 C ATOM 1264 O ASN A 77 4.767 -12.438 4.106 1.00 0.00 O ATOM 1265 CB ASN A 77 2.113 -11.464 2.344 1.00 0.00 C ATOM 1266 CG ASN A 77 0.980 -12.439 2.073 1.00 0.00 C ATOM 1267 OD1 ASN A 77 0.642 -13.270 2.918 1.00 0.00 O ATOM 1268 ND2 ASN A 77 0.387 -12.348 0.887 1.00 0.00 N ATOM 0 H ASN A 77 1.429 -9.756 4.006 1.00 0.00 H new ATOM 0 HA ASN A 77 2.262 -12.434 4.258 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.786 -10.454 2.095 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.953 -11.697 1.689 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.377 -12.980 0.649 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.696 -11.646 0.215 1.00 0.00 H new ATOM 1275 N CYS A 78 4.657 -10.242 3.615 1.00 0.00 N ATOM 1276 CA CYS A 78 6.106 -10.046 3.635 1.00 0.00 C ATOM 1277 C CYS A 78 6.689 -10.356 5.016 1.00 0.00 C ATOM 1278 O CYS A 78 7.785 -10.907 5.125 1.00 0.00 O ATOM 1279 CB CYS A 78 6.455 -8.610 3.231 1.00 0.00 C ATOM 1280 SG CYS A 78 6.825 -8.408 1.472 1.00 0.00 S ATOM 0 H CYS A 78 4.121 -9.399 3.406 1.00 0.00 H new ATOM 0 HA CYS A 78 6.546 -10.737 2.916 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.622 -7.957 3.494 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.315 -8.279 3.813 1.00 0.00 H new ATOM 0 HG CYS A 78 6.869 -7.142 1.180 1.00 0.00 H new ATOM 1286 N TYR A 79 5.950 -9.997 6.066 1.00 0.00 N ATOM 1287 CA TYR A 79 6.395 -10.234 7.438 1.00 0.00 C ATOM 1288 C TYR A 79 6.450 -11.729 7.754 1.00 0.00 C ATOM 1289 O TYR A 79 7.509 -12.260 8.089 1.00 0.00 O ATOM 1290 CB TYR A 79 5.465 -9.525 8.426 1.00 0.00 C ATOM 1291 CG TYR A 79 6.188 -8.674 9.448 1.00 0.00 C ATOM 1292 CD1 TYR A 79 7.108 -9.236 10.325 1.00 0.00 C ATOM 1293 CD2 TYR A 79 5.944 -7.309 9.539 1.00 0.00 C ATOM 1294 CE1 TYR A 79 7.764 -8.463 11.262 1.00 0.00 C ATOM 1295 CE2 TYR A 79 6.597 -6.529 10.474 1.00 0.00 C ATOM 1296 CZ TYR A 79 7.506 -7.110 11.333 1.00 0.00 C ATOM 1297 OH TYR A 79 8.159 -6.336 12.266 1.00 0.00 O ATOM 0 H TYR A 79 5.041 -9.541 5.992 1.00 0.00 H new ATOM 0 HA TYR A 79 7.402 -9.829 7.538 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.772 -8.895 7.869 1.00 0.00 H new ATOM 0 HB3 TYR A 79 4.868 -10.273 8.948 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.313 -10.295 10.273 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.233 -6.850 8.868 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.476 -8.916 11.936 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.396 -5.469 10.532 1.00 0.00 H new ATOM 0 HH TYR A 79 7.864 -5.405 12.183 1.00 0.00 H new ATOM 1307 N LYS A 80 5.302 -12.402 7.651 1.00 0.00 N ATOM 1308 CA LYS A 80 5.225 -13.838 7.933 1.00 0.00 C ATOM 1309 C LYS A 80 6.101 -14.643 6.972 1.00 0.00 C ATOM 1310 O LYS A 80 6.628 -15.694 7.338 1.00 0.00 O ATOM 1311 CB LYS A 80 3.774 -14.327 7.856 1.00 0.00 C ATOM 1312 CG LYS A 80 3.258 -14.911 9.164 1.00 0.00 C ATOM 1313 CD LYS A 80 2.969 -16.401 9.042 1.00 0.00 C ATOM 1314 CE LYS A 80 1.535 -16.662 8.602 1.00 0.00 C ATOM 1315 NZ LYS A 80 0.913 -17.787 9.356 1.00 0.00 N ATOM 0 H LYS A 80 4.416 -11.978 7.376 1.00 0.00 H new ATOM 0 HA LYS A 80 5.598 -13.994 8.945 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.134 -13.495 7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.695 -15.082 7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.994 -14.747 9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.350 -14.388 9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.657 -16.848 8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.150 -16.887 10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.942 -15.759 8.745 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.519 -16.888 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.062 -17.930 9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.463 -18.656 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.904 -17.561 10.371 1.00 0.00 H new ATOM 1329 N TYR A 81 6.254 -14.143 5.745 1.00 0.00 N ATOM 1330 CA TYR A 81 7.070 -14.815 4.736 1.00 0.00 C ATOM 1331 C TYR A 81 8.552 -14.779 5.114 1.00 0.00 C ATOM 1332 O TYR A 81 9.266 -15.767 4.937 1.00 0.00 O ATOM 1333 CB TYR A 81 6.861 -14.163 3.366 1.00 0.00 C ATOM 1334 CG TYR A 81 7.631 -14.820 2.239 1.00 0.00 C ATOM 1335 CD1 TYR A 81 7.420 -16.154 1.910 1.00 0.00 C ATOM 1336 CD2 TYR A 81 8.565 -14.103 1.502 1.00 0.00 C ATOM 1337 CE1 TYR A 81 8.118 -16.753 0.880 1.00 0.00 C ATOM 1338 CE2 TYR A 81 9.268 -14.696 0.470 1.00 0.00 C ATOM 1339 CZ TYR A 81 9.041 -16.020 0.163 1.00 0.00 C ATOM 1340 OH TYR A 81 9.736 -16.614 -0.865 1.00 0.00 O ATOM 0 H TYR A 81 5.823 -13.275 5.427 1.00 0.00 H new ATOM 0 HA TYR A 81 6.756 -15.858 4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.798 -14.184 3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.153 -13.115 3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.698 -16.731 2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 81 8.745 -13.065 1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 81 7.942 -17.790 0.637 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.991 -14.125 -0.093 1.00 0.00 H new ATOM 0 HH TYR A 81 10.664 -16.764 -0.589 1.00 0.00 H new ATOM 1350 N ASN A 82 9.010 -13.636 5.629 1.00 0.00 N ATOM 1351 CA ASN A 82 10.409 -13.482 6.024 1.00 0.00 C ATOM 1352 C ASN A 82 10.539 -12.634 7.292 1.00 0.00 C ATOM 1353 O ASN A 82 10.234 -11.439 7.279 1.00 0.00 O ATOM 1354 CB ASN A 82 11.211 -12.847 4.883 1.00 0.00 C ATOM 1355 CG ASN A 82 12.710 -12.991 5.070 1.00 0.00 C ATOM 1356 OD1 ASN A 82 13.252 -12.641 6.118 1.00 0.00 O ATOM 1357 ND2 ASN A 82 13.390 -13.507 4.052 1.00 0.00 N ATOM 0 H ASN A 82 8.434 -12.808 5.781 1.00 0.00 H new ATOM 0 HA ASN A 82 10.809 -14.473 6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.921 -13.309 3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.958 -11.789 4.811 1.00 0.00 H new ATOM 0 HD21 ASN A 82 14.401 -13.626 4.122 1.00 0.00 H new ATOM 0 HD22 ASN A 82 12.901 -13.784 3.201 1.00 0.00 H new ATOM 1364 N PRO A 83 11.000 -13.245 8.408 1.00 0.00 N ATOM 1365 CA PRO A 83 11.176 -12.544 9.691 1.00 0.00 C ATOM 1366 C PRO A 83 12.103 -11.331 9.570 1.00 0.00 C ATOM 1367 O PRO A 83 12.838 -11.199 8.590 1.00 0.00 O ATOM 1368 CB PRO A 83 11.803 -13.608 10.602 1.00 0.00 C ATOM 1369 CG PRO A 83 11.426 -14.910 9.986 1.00 0.00 C ATOM 1370 CD PRO A 83 11.383 -14.666 8.504 1.00 0.00 C ATOM 0 HA PRO A 83 10.233 -12.146 10.067 1.00 0.00 H new ATOM 0 HB2 PRO A 83 12.886 -13.495 10.655 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.424 -13.529 11.621 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.152 -15.684 10.234 1.00 0.00 H new ATOM 0 HG3 PRO A 83 10.458 -15.251 10.354 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.349 -14.855 8.036 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.658 -15.313 8.010 1.00 0.00 H new ATOM 1378 N PRO A 84 12.078 -10.422 10.567 1.00 0.00 N ATOM 1379 CA PRO A 84 12.916 -9.217 10.559 1.00 0.00 C ATOM 1380 C PRO A 84 14.407 -9.540 10.601 1.00 0.00 C ATOM 1381 O PRO A 84 14.936 -9.971 11.628 1.00 0.00 O ATOM 1382 CB PRO A 84 12.509 -8.461 11.824 1.00 0.00 C ATOM 1383 CG PRO A 84 11.227 -9.081 12.272 1.00 0.00 C ATOM 1384 CD PRO A 84 11.236 -10.497 11.770 1.00 0.00 C ATOM 0 HA PRO A 84 12.767 -8.644 9.644 1.00 0.00 H new ATOM 0 HB2 PRO A 84 13.275 -8.547 12.595 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.379 -7.398 11.620 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.143 -9.056 13.358 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.372 -8.534 11.874 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.650 -11.183 12.509 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.231 -10.848 11.537 1.00 0.00 H new ATOM 1392 N ASP A 85 15.073 -9.321 9.473 1.00 0.00 N ATOM 1393 CA ASP A 85 16.509 -9.575 9.350 1.00 0.00 C ATOM 1394 C ASP A 85 17.026 -9.171 7.964 1.00 0.00 C ATOM 1395 O ASP A 85 17.886 -9.845 7.392 1.00 0.00 O ATOM 1396 CB ASP A 85 16.811 -11.058 9.612 1.00 0.00 C ATOM 1397 CG ASP A 85 18.080 -11.264 10.419 1.00 0.00 C ATOM 1398 OD1 ASP A 85 18.205 -10.648 11.499 1.00 0.00 O ATOM 1399 OD2 ASP A 85 18.948 -12.043 9.972 1.00 0.00 O ATOM 0 H ASP A 85 14.639 -8.965 8.621 1.00 0.00 H new ATOM 0 HA ASP A 85 17.023 -8.968 10.095 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.971 -11.507 10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.902 -11.580 8.659 1.00 0.00 H new ATOM 1404 N HIS A 86 16.497 -8.065 7.430 1.00 0.00 N ATOM 1405 CA HIS A 86 16.898 -7.568 6.113 1.00 0.00 C ATOM 1406 C HIS A 86 16.320 -6.176 5.855 1.00 0.00 C ATOM 1407 O HIS A 86 15.587 -5.633 6.683 1.00 0.00 O ATOM 1408 CB HIS A 86 16.420 -8.522 5.010 1.00 0.00 C ATOM 1409 CG HIS A 86 17.442 -9.524 4.564 1.00 0.00 C ATOM 1410 ND1 HIS A 86 18.799 -9.274 4.548 1.00 0.00 N ATOM 1411 CD2 HIS A 86 17.291 -10.788 4.104 1.00 0.00 C ATOM 1412 CE1 HIS A 86 19.436 -10.341 4.096 1.00 0.00 C ATOM 1413 NE2 HIS A 86 18.543 -11.274 3.821 1.00 0.00 N ATOM 0 H HIS A 86 15.788 -7.497 7.893 1.00 0.00 H new ATOM 0 HA HIS A 86 17.986 -7.511 6.099 1.00 0.00 H new ATOM 0 HB2 HIS A 86 15.539 -9.056 5.366 1.00 0.00 H new ATOM 0 HB3 HIS A 86 16.108 -7.932 4.148 1.00 0.00 H new ATOM 0 HD2 HIS A 86 16.357 -11.317 3.982 1.00 0.00 H new ATOM 0 HE1 HIS A 86 20.505 -10.434 3.973 1.00 0.00 H new ATOM 0 HE2 HIS A 86 18.750 -12.204 3.457 1.00 0.00 H new ATOM 1422 N ASP A 87 16.643 -5.612 4.690 1.00 0.00 N ATOM 1423 CA ASP A 87 16.143 -4.291 4.314 1.00 0.00 C ATOM 1424 C ASP A 87 14.674 -4.362 3.891 1.00 0.00 C ATOM 1425 O ASP A 87 13.921 -3.409 4.086 1.00 0.00 O ATOM 1426 CB ASP A 87 16.983 -3.703 3.176 1.00 0.00 C ATOM 1427 CG ASP A 87 16.916 -2.187 3.131 1.00 0.00 C ATOM 1428 OD1 ASP A 87 17.392 -1.543 4.089 1.00 0.00 O ATOM 1429 OD2 ASP A 87 16.387 -1.646 2.138 1.00 0.00 O ATOM 0 H ASP A 87 17.247 -6.049 3.993 1.00 0.00 H new ATOM 0 HA ASP A 87 16.223 -3.643 5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.021 -4.015 3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.636 -4.108 2.225 1.00 0.00 H new ATOM 1434 N VAL A 88 14.275 -5.496 3.309 1.00 0.00 N ATOM 1435 CA VAL A 88 12.897 -5.689 2.856 1.00 0.00 C ATOM 1436 C VAL A 88 11.907 -5.546 4.012 1.00 0.00 C ATOM 1437 O VAL A 88 10.935 -4.794 3.915 1.00 0.00 O ATOM 1438 CB VAL A 88 12.700 -7.073 2.190 1.00 0.00 C ATOM 1439 CG1 VAL A 88 11.289 -7.203 1.632 1.00 0.00 C ATOM 1440 CG2 VAL A 88 13.735 -7.303 1.094 1.00 0.00 C ATOM 0 H VAL A 88 14.888 -6.294 3.141 1.00 0.00 H new ATOM 0 HA VAL A 88 12.703 -4.912 2.117 1.00 0.00 H new ATOM 0 HB VAL A 88 12.840 -7.839 2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.170 -8.182 1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 88 10.566 -7.094 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.119 -6.426 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 88 13.575 -8.282 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.635 -6.531 0.331 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.736 -7.261 1.524 1.00 0.00 H new ATOM 1450 N VAL A 89 12.157 -6.269 5.104 1.00 0.00 N ATOM 1451 CA VAL A 89 11.282 -6.216 6.274 1.00 0.00 C ATOM 1452 C VAL A 89 11.278 -4.818 6.890 1.00 0.00 C ATOM 1453 O VAL A 89 10.217 -4.268 7.192 1.00 0.00 O ATOM 1454 CB VAL A 89 11.696 -7.243 7.349 1.00 0.00 C ATOM 1455 CG1 VAL A 89 10.661 -7.295 8.464 1.00 0.00 C ATOM 1456 CG2 VAL A 89 11.898 -8.621 6.730 1.00 0.00 C ATOM 0 H VAL A 89 12.956 -6.896 5.202 1.00 0.00 H new ATOM 0 HA VAL A 89 10.279 -6.464 5.926 1.00 0.00 H new ATOM 0 HB VAL A 89 12.645 -6.925 7.780 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.969 -8.024 9.213 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.576 -6.312 8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.695 -7.586 8.051 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.189 -9.329 7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.968 -8.952 6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.681 -8.569 5.974 1.00 0.00 H new ATOM 1466 N ALA A 90 12.470 -4.245 7.067 1.00 0.00 N ATOM 1467 CA ALA A 90 12.605 -2.907 7.640 1.00 0.00 C ATOM 1468 C ALA A 90 11.891 -1.865 6.779 1.00 0.00 C ATOM 1469 O ALA A 90 11.317 -0.908 7.303 1.00 0.00 O ATOM 1470 CB ALA A 90 14.073 -2.541 7.802 1.00 0.00 C ATOM 0 H ALA A 90 13.355 -4.688 6.821 1.00 0.00 H new ATOM 0 HA ALA A 90 12.135 -2.915 8.624 1.00 0.00 H new ATOM 0 HB1 ALA A 90 14.154 -1.542 8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.556 -3.259 8.464 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.562 -2.559 6.828 1.00 0.00 H new ATOM 1476 N MET A 91 11.926 -2.058 5.458 1.00 0.00 N ATOM 1477 CA MET A 91 11.277 -1.135 4.528 1.00 0.00 C ATOM 1478 C MET A 91 9.777 -1.056 4.808 1.00 0.00 C ATOM 1479 O MET A 91 9.193 0.030 4.802 1.00 0.00 O ATOM 1480 CB MET A 91 11.510 -1.578 3.079 1.00 0.00 C ATOM 1481 CG MET A 91 12.753 -0.979 2.440 1.00 0.00 C ATOM 1482 SD MET A 91 12.742 -1.117 0.641 1.00 0.00 S ATOM 1483 CE MET A 91 14.063 0.011 0.207 1.00 0.00 C ATOM 0 H MET A 91 12.397 -2.844 5.010 1.00 0.00 H new ATOM 0 HA MET A 91 11.716 -0.148 4.671 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.587 -2.665 3.050 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.640 -1.305 2.482 1.00 0.00 H new ATOM 0 HG2 MET A 91 12.831 0.072 2.720 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.637 -1.480 2.834 1.00 0.00 H new ATOM 0 HE1 MET A 91 13.640 0.918 -0.225 1.00 0.00 H new ATOM 0 HE2 MET A 91 14.632 0.266 1.101 1.00 0.00 H new ATOM 0 HE3 MET A 91 14.722 -0.463 -0.520 1.00 0.00 H new ATOM 1493 N ALA A 92 9.160 -2.211 5.060 1.00 0.00 N ATOM 1494 CA ALA A 92 7.730 -2.274 5.352 1.00 0.00 C ATOM 1495 C ALA A 92 7.408 -1.594 6.684 1.00 0.00 C ATOM 1496 O ALA A 92 6.407 -0.887 6.800 1.00 0.00 O ATOM 1497 CB ALA A 92 7.255 -3.721 5.364 1.00 0.00 C ATOM 0 H ALA A 92 9.630 -3.116 5.067 1.00 0.00 H new ATOM 0 HA ALA A 92 7.200 -1.738 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.188 -3.752 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.439 -4.172 4.389 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.798 -4.276 6.129 1.00 0.00 H new ATOM 1503 N ARG A 93 8.265 -1.809 7.685 1.00 0.00 N ATOM 1504 CA ARG A 93 8.070 -1.210 9.008 1.00 0.00 C ATOM 1505 C ARG A 93 8.030 0.316 8.921 1.00 0.00 C ATOM 1506 O ARG A 93 7.237 0.962 9.607 1.00 0.00 O ATOM 1507 CB ARG A 93 9.181 -1.650 9.969 1.00 0.00 C ATOM 1508 CG ARG A 93 8.820 -1.486 11.439 1.00 0.00 C ATOM 1509 CD ARG A 93 9.724 -0.474 12.130 1.00 0.00 C ATOM 1510 NE ARG A 93 10.090 -0.896 13.482 1.00 0.00 N ATOM 1511 CZ ARG A 93 9.292 -0.770 14.547 1.00 0.00 C ATOM 1512 NH1 ARG A 93 8.080 -0.232 14.426 1.00 0.00 N ATOM 1513 NH2 ARG A 93 9.711 -1.182 15.739 1.00 0.00 N ATOM 0 H ARG A 93 9.098 -2.392 7.605 1.00 0.00 H new ATOM 0 HA ARG A 93 7.111 -1.559 9.392 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.421 -2.696 9.778 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.081 -1.072 9.759 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.782 -1.166 11.525 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.899 -2.449 11.943 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.628 -0.332 11.538 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.219 0.491 12.176 1.00 0.00 H new ATOM 0 HE ARG A 93 11.011 -1.312 13.621 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.753 0.088 13.515 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.479 -0.140 15.245 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.639 -1.593 15.839 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.104 -1.087 16.554 1.00 0.00 H new ATOM 1527 N LYS A 94 8.886 0.886 8.071 1.00 0.00 N ATOM 1528 CA LYS A 94 8.943 2.334 7.894 1.00 0.00 C ATOM 1529 C LYS A 94 7.659 2.862 7.253 1.00 0.00 C ATOM 1530 O LYS A 94 7.170 3.932 7.618 1.00 0.00 O ATOM 1531 CB LYS A 94 10.152 2.716 7.036 1.00 0.00 C ATOM 1532 CG LYS A 94 11.442 2.859 7.829 1.00 0.00 C ATOM 1533 CD LYS A 94 12.447 3.742 7.106 1.00 0.00 C ATOM 1534 CE LYS A 94 13.303 4.534 8.084 1.00 0.00 C ATOM 1535 NZ LYS A 94 12.544 5.651 8.718 1.00 0.00 N ATOM 0 H LYS A 94 9.548 0.365 7.496 1.00 0.00 H new ATOM 0 HA LYS A 94 9.045 2.790 8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.292 1.960 6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.943 3.657 6.527 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.223 3.283 8.809 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.877 1.874 7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.089 3.124 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.919 4.429 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.679 3.866 8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.171 4.937 7.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.207 6.292 9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.024 6.177 7.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.871 5.264 9.410 1.00 0.00 H new ATOM 1549 N LEU A 95 7.115 2.107 6.297 1.00 0.00 N ATOM 1550 CA LEU A 95 5.886 2.505 5.611 1.00 0.00 C ATOM 1551 C LEU A 95 4.671 2.363 6.528 1.00 0.00 C ATOM 1552 O LEU A 95 3.766 3.199 6.499 1.00 0.00 O ATOM 1553 CB LEU A 95 5.681 1.672 4.344 1.00 0.00 C ATOM 1554 CG LEU A 95 6.731 1.880 3.248 1.00 0.00 C ATOM 1555 CD1 LEU A 95 6.912 0.608 2.431 1.00 0.00 C ATOM 1556 CD2 LEU A 95 6.342 3.048 2.349 1.00 0.00 C ATOM 0 H LEU A 95 7.505 1.219 5.981 1.00 0.00 H new ATOM 0 HA LEU A 95 5.988 3.554 5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.671 0.617 4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.699 1.903 3.932 1.00 0.00 H new ATOM 0 HG LEU A 95 7.682 2.117 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.662 0.776 1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 95 7.239 -0.201 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.965 0.337 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.100 3.181 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.379 2.842 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.269 3.957 2.945 1.00 0.00 H new ATOM 1568 N GLN A 96 4.656 1.304 7.341 1.00 0.00 N ATOM 1569 CA GLN A 96 3.551 1.058 8.267 1.00 0.00 C ATOM 1570 C GLN A 96 3.325 2.259 9.185 1.00 0.00 C ATOM 1571 O GLN A 96 2.183 2.621 9.475 1.00 0.00 O ATOM 1572 CB GLN A 96 3.828 -0.195 9.103 1.00 0.00 C ATOM 1573 CG GLN A 96 3.384 -1.485 8.432 1.00 0.00 C ATOM 1574 CD GLN A 96 2.520 -2.352 9.332 1.00 0.00 C ATOM 1575 OE1 GLN A 96 1.720 -1.847 10.119 1.00 0.00 O ATOM 1576 NE2 GLN A 96 2.675 -3.667 9.218 1.00 0.00 N ATOM 0 H GLN A 96 5.397 0.604 7.376 1.00 0.00 H new ATOM 0 HA GLN A 96 2.647 0.902 7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.896 -0.253 9.312 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.320 -0.101 10.063 1.00 0.00 H new ATOM 0 HG2 GLN A 96 2.829 -1.245 7.525 1.00 0.00 H new ATOM 0 HG3 GLN A 96 4.264 -2.051 8.126 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.350 -4.045 8.553 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.119 -4.298 9.796 1.00 0.00 H new ATOM 1585 N ASP A 97 4.420 2.877 9.634 1.00 0.00 N ATOM 1586 CA ASP A 97 4.340 4.042 10.515 1.00 0.00 C ATOM 1587 C ASP A 97 3.666 5.218 9.809 1.00 0.00 C ATOM 1588 O ASP A 97 2.847 5.921 10.405 1.00 0.00 O ATOM 1589 CB ASP A 97 5.738 4.453 10.987 1.00 0.00 C ATOM 1590 CG ASP A 97 6.113 3.816 12.312 1.00 0.00 C ATOM 1591 OD1 ASP A 97 5.602 4.272 13.357 1.00 0.00 O ATOM 1592 OD2 ASP A 97 6.919 2.862 12.303 1.00 0.00 O ATOM 0 H ASP A 97 5.371 2.590 9.402 1.00 0.00 H new ATOM 0 HA ASP A 97 3.738 3.766 11.380 1.00 0.00 H new ATOM 0 HB2 ASP A 97 6.471 4.171 10.231 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.781 5.538 11.084 1.00 0.00 H new ATOM 1597 N VAL A 98 4.010 5.426 8.538 1.00 0.00 N ATOM 1598 CA VAL A 98 3.431 6.520 7.761 1.00 0.00 C ATOM 1599 C VAL A 98 1.957 6.253 7.457 1.00 0.00 C ATOM 1600 O VAL A 98 1.119 7.147 7.587 1.00 0.00 O ATOM 1601 CB VAL A 98 4.186 6.755 6.433 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.643 7.988 5.721 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.685 6.892 6.673 1.00 0.00 C ATOM 0 H VAL A 98 4.683 4.854 8.027 1.00 0.00 H new ATOM 0 HA VAL A 98 3.524 7.417 8.373 1.00 0.00 H new ATOM 0 HB VAL A 98 4.025 5.887 5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.186 8.138 4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.584 7.847 5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.770 8.862 6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.192 7.057 5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.872 7.738 7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.065 5.980 7.134 1.00 0.00 H new ATOM 1613 N PHE A 99 1.646 5.018 7.056 1.00 0.00 N ATOM 1614 CA PHE A 99 0.271 4.636 6.739 1.00 0.00 C ATOM 1615 C PHE A 99 -0.650 4.879 7.932 1.00 0.00 C ATOM 1616 O PHE A 99 -1.765 5.373 7.770 1.00 0.00 O ATOM 1617 CB PHE A 99 0.208 3.164 6.316 1.00 0.00 C ATOM 1618 CG PHE A 99 -1.109 2.764 5.705 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -1.545 3.342 4.523 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -1.909 1.810 6.313 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -2.753 2.976 3.960 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -3.118 1.440 5.755 1.00 0.00 C ATOM 1623 CZ PHE A 99 -3.540 2.023 4.577 1.00 0.00 C ATOM 0 H PHE A 99 2.328 4.268 6.944 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.069 5.256 5.909 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.005 2.967 5.599 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.400 2.537 7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.933 4.087 4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.584 1.350 7.234 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.081 3.434 3.039 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.732 0.696 6.240 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.484 1.735 4.138 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.176 4.536 9.132 1.00 0.00 N ATOM 1634 CA GLU A 100 -0.963 4.725 10.350 1.00 0.00 C ATOM 1635 C GLU A 100 -1.330 6.197 10.548 1.00 0.00 C ATOM 1636 O GLU A 100 -2.461 6.515 10.918 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.200 4.207 11.572 1.00 0.00 C ATOM 1638 CG GLU A 100 -0.932 3.103 12.320 1.00 0.00 C ATOM 1639 CD GLU A 100 -0.910 1.781 11.576 1.00 0.00 C ATOM 1640 OE1 GLU A 100 0.190 1.216 11.399 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -1.994 1.310 11.169 1.00 0.00 O ATOM 0 H GLU A 100 0.746 4.127 9.285 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.884 4.153 10.240 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.773 3.835 11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.016 5.037 12.254 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.477 2.971 13.302 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.966 3.405 12.486 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.371 7.090 10.297 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.602 8.526 10.449 1.00 0.00 C ATOM 1650 C PHE A 101 -1.588 9.042 9.400 1.00 0.00 C ATOM 1651 O PHE A 101 -2.432 9.889 9.697 1.00 0.00 O ATOM 1652 CB PHE A 101 0.718 9.295 10.334 1.00 0.00 C ATOM 1653 CG PHE A 101 1.100 10.045 11.581 1.00 0.00 C ATOM 1654 CD1 PHE A 101 0.192 10.882 12.213 1.00 0.00 C ATOM 1655 CD2 PHE A 101 2.371 9.915 12.118 1.00 0.00 C ATOM 1656 CE1 PHE A 101 0.546 11.574 13.357 1.00 0.00 C ATOM 1657 CE2 PHE A 101 2.729 10.604 13.260 1.00 0.00 C ATOM 1658 CZ PHE A 101 1.817 11.434 13.880 1.00 0.00 C ATOM 0 H PHE A 101 0.570 6.844 9.989 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.031 8.689 11.438 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.515 8.594 10.086 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.645 10.000 9.506 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.802 10.995 11.807 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.090 9.267 11.638 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.170 12.222 13.840 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.723 10.493 13.668 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.097 11.973 14.773 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.479 8.526 8.173 1.00 0.00 N ATOM 1669 CA ARG A 102 -2.368 8.939 7.087 1.00 0.00 C ATOM 1670 C ARG A 102 -3.757 8.326 7.259 1.00 0.00 C ATOM 1671 O ARG A 102 -4.765 8.958 6.942 1.00 0.00 O ATOM 1672 CB ARG A 102 -1.785 8.544 5.723 1.00 0.00 C ATOM 1673 CG ARG A 102 -0.406 9.127 5.444 1.00 0.00 C ATOM 1674 CD ARG A 102 -0.442 10.646 5.354 1.00 0.00 C ATOM 1675 NE ARG A 102 0.901 11.224 5.313 1.00 0.00 N ATOM 1676 CZ ARG A 102 1.153 12.536 5.350 1.00 0.00 C ATOM 1677 NH1 ARG A 102 0.158 13.416 5.431 1.00 0.00 N ATOM 1678 NH2 ARG A 102 2.408 12.969 5.308 1.00 0.00 N ATOM 0 H ARG A 102 -0.787 7.825 7.909 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.458 10.025 7.126 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.727 7.457 5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.470 8.868 4.939 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.282 8.826 6.234 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.020 8.717 4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.992 10.943 4.461 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.984 11.047 6.211 1.00 0.00 H new ATOM 0 HE ARG A 102 1.695 10.586 5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.808 13.091 5.466 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.362 14.415 5.459 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.176 12.301 5.248 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.603 13.970 5.336 1.00 0.00 H new ATOM 1692 N TYR A 103 -3.803 7.093 7.769 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.068 6.396 7.994 1.00 0.00 C ATOM 1694 C TYR A 103 -5.935 7.136 9.016 1.00 0.00 C ATOM 1695 O TYR A 103 -7.158 7.006 9.005 1.00 0.00 O ATOM 1696 CB TYR A 103 -4.813 4.964 8.472 1.00 0.00 C ATOM 1697 CG TYR A 103 -5.963 4.015 8.204 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.336 3.694 6.904 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -6.671 3.437 9.251 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -7.382 2.826 6.656 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -7.718 2.566 9.010 1.00 0.00 C ATOM 1702 CZ TYR A 103 -8.070 2.264 7.711 1.00 0.00 C ATOM 1703 OH TYR A 103 -9.110 1.395 7.467 1.00 0.00 O ATOM 0 H TYR A 103 -2.976 6.557 8.034 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.603 6.367 7.045 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -3.917 4.582 7.982 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -4.609 4.979 9.543 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -5.799 4.130 6.074 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.399 3.672 10.270 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -7.660 2.588 5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.257 2.124 9.835 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.487 1.089 8.318 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.296 7.910 9.898 1.00 0.00 N ATOM 1714 CA ALA A 104 -6.018 8.668 10.920 1.00 0.00 C ATOM 1715 C ALA A 104 -6.730 9.883 10.317 1.00 0.00 C ATOM 1716 O ALA A 104 -7.795 10.282 10.790 1.00 0.00 O ATOM 1717 CB ALA A 104 -5.067 9.108 12.026 1.00 0.00 C ATOM 0 H ALA A 104 -4.283 8.027 9.924 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.777 8.012 11.346 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.620 9.671 12.778 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.616 8.230 12.488 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.285 9.738 11.604 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.136 10.466 9.272 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.717 11.633 8.604 1.00 0.00 C ATOM 1725 C LYS A 105 -7.652 11.221 7.462 1.00 0.00 C ATOM 1726 O LYS A 105 -8.477 12.019 7.014 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.610 12.547 8.065 1.00 0.00 C ATOM 1728 CG LYS A 105 -5.535 13.895 8.765 1.00 0.00 C ATOM 1729 CD LYS A 105 -6.743 14.764 8.444 1.00 0.00 C ATOM 1730 CE LYS A 105 -6.475 15.686 7.262 1.00 0.00 C ATOM 1731 NZ LYS A 105 -7.686 15.879 6.415 1.00 0.00 N ATOM 0 H LYS A 105 -5.254 10.149 8.871 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.305 12.176 9.345 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.650 12.040 8.168 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.772 12.709 6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.472 13.743 9.842 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.624 14.412 8.463 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.600 14.128 8.223 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.005 15.360 9.318 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.131 16.653 7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.671 15.271 6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -7.458 16.513 5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.000 14.960 6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.446 16.299 6.987 1.00 0.00 H new ATOM 1745 N MET A 106 -7.520 9.977 6.993 1.00 0.00 N ATOM 1746 CA MET A 106 -8.355 9.467 5.904 1.00 0.00 C ATOM 1747 C MET A 106 -9.850 9.680 6.186 1.00 0.00 C ATOM 1748 O MET A 106 -10.581 10.167 5.324 1.00 0.00 O ATOM 1749 CB MET A 106 -8.070 7.980 5.669 1.00 0.00 C ATOM 1750 CG MET A 106 -8.395 7.509 4.260 1.00 0.00 C ATOM 1751 SD MET A 106 -10.030 6.760 4.136 1.00 0.00 S ATOM 1752 CE MET A 106 -9.930 5.501 5.407 1.00 0.00 C ATOM 0 H MET A 106 -6.842 9.305 7.351 1.00 0.00 H new ATOM 0 HA MET A 106 -8.103 10.029 5.005 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.017 7.784 5.874 1.00 0.00 H new ATOM 0 HB3 MET A 106 -8.648 7.392 6.381 1.00 0.00 H new ATOM 0 HG2 MET A 106 -8.335 8.355 3.576 1.00 0.00 H new ATOM 0 HG3 MET A 106 -7.644 6.787 3.941 1.00 0.00 H new ATOM 0 HE1 MET A 106 -10.811 4.862 5.356 1.00 0.00 H new ATOM 0 HE2 MET A 106 -9.035 4.898 5.253 1.00 0.00 H new ATOM 0 HE3 MET A 106 -9.883 5.976 6.387 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.326 9.318 7.399 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.738 9.478 7.776 1.00 0.00 C ATOM 1764 C PRO A 107 -12.193 10.937 7.731 1.00 0.00 C ATOM 1765 O PRO A 107 -11.418 11.847 8.032 1.00 0.00 O ATOM 1766 CB PRO A 107 -11.796 8.950 9.215 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.573 8.113 9.376 1.00 0.00 C ATOM 1768 CD PRO A 107 -9.533 8.730 8.491 1.00 0.00 C ATOM 0 HA PRO A 107 -12.397 8.949 7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.810 9.769 9.934 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.699 8.363 9.383 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.243 8.099 10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.767 7.079 9.089 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.952 9.486 9.019 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.827 7.987 8.121 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.454 11.153 7.357 1.00 0.00 N ATOM 1777 CA ASP A 108 -14.008 12.502 7.276 1.00 0.00 C ATOM 1778 C ASP A 108 -14.439 13.003 8.655 1.00 0.00 C ATOM 1779 O ASP A 108 -15.474 12.587 9.181 1.00 0.00 O ATOM 1780 CB ASP A 108 -15.198 12.536 6.312 1.00 0.00 C ATOM 1781 CG ASP A 108 -15.286 13.842 5.546 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -15.576 14.882 6.176 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -15.064 13.825 4.317 1.00 0.00 O ATOM 0 H ASP A 108 -14.109 10.412 7.106 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.227 13.162 6.899 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -15.114 11.709 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -16.120 12.384 6.873 1.00 0.00 H new