USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=25 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 2 GLN : amide:sc= -0.0811 K(o=-0.49,f=-2.8) USER MOD Set 1.2: A 106 MET CE :methyl 163:sc= -0.413 (180deg=-0.967) USER MOD Set 2.1: A 40 HIS : no HD1:sc= -0.102 X(o=0.25,f=-0.098) USER MOD Set 2.2: A 44 LYS NZ :NH3+ 148:sc= 0.352 (180deg=-0.367) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.53) USER MOD Single : A 6 CYS SG : rot 67:sc= 0.698 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 11 LYS NZ :NH3+ 172:sc= -0.0689 (180deg=-0.223) USER MOD Single : A 15 SER OG : rot 180:sc= 0 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 HE2:sc= -3.61! C(o=-3.6!,f=-6.3!) USER MOD Single : A 21 TYR OH : rot 49:sc= -0.541 USER MOD Single : A 26 TYR OH : rot 30:sc= -3.45! 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= -0.366 X(o=-0.37,f=-0.55) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.00088) USER MOD Single : A 47 MET CE :methyl -149:sc= -1.41 (180deg=-2.47!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 117:sc= 0.523 USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= -0.0132 (180deg=-0.697) USER MOD Single : A 55 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.875) USER MOD Single : A 56 MET CE :methyl 158:sc= -0.0471 (180deg=-1.24) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 120:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.175 K(o=-0.18,f=-1.1) USER MOD Single : A 74 MET CE :methyl 178:sc= -0.107 (180deg=-0.117) USER MOD Single : A 76 SER OG : rot 15:sc= 0.255 USER MOD Single : A 77 ASN : amide:sc= -0.836 K(o=-0.84,f=-3!) USER MOD Single : A 78 CYS SG : rot -160:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.148 USER MOD Single : A 80 LYS NZ :NH3+ 171:sc= -0.556 (180deg=-0.665) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.369 USER MOD Single : A 82 ASN : amide:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0406 X(o=-0.041,f=-0.4) USER MOD Single : A 91 MET CE :methyl -153:sc= -0.152 (180deg=-0.829) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc=-0.000192 X(o=-0.00019,f=-0.44) USER MOD Single : A 103 TYR OH : rot 30:sc= -0.0693 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -14.285 13.024 0.247 1.00 0.00 N ATOM 2 CA GLU A 1 -14.507 11.594 -0.102 1.00 0.00 C ATOM 3 C GLU A 1 -13.325 10.730 0.326 1.00 0.00 C ATOM 4 O GLU A 1 -12.170 11.069 0.061 1.00 0.00 O ATOM 5 CB GLU A 1 -14.715 11.482 -1.617 1.00 0.00 C ATOM 6 CG GLU A 1 -15.807 10.499 -2.015 1.00 0.00 C ATOM 7 CD GLU A 1 -16.659 11.004 -3.165 1.00 0.00 C ATOM 8 OE1 GLU A 1 -17.179 12.136 -3.067 1.00 0.00 O ATOM 9 OE2 GLU A 1 -16.806 10.268 -4.163 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.105 13.587 -0.056 1.00 0.00 H new ATOM 0 H2 GLU A 1 -14.164 13.115 1.276 1.00 0.00 H new ATOM 0 H3 GLU A 1 -13.431 13.370 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 1 -15.389 11.235 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.962 12.466 -2.014 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -13.777 11.177 -2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -15.351 9.550 -2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -16.446 10.303 -1.154 1.00 0.00 H new ATOM 18 N GLN A 2 -13.622 9.608 0.980 1.00 0.00 N ATOM 19 CA GLN A 2 -12.587 8.688 1.435 1.00 0.00 C ATOM 20 C GLN A 2 -11.783 8.147 0.251 1.00 0.00 C ATOM 21 O GLN A 2 -10.568 7.972 0.344 1.00 0.00 O ATOM 22 CB GLN A 2 -13.215 7.533 2.220 1.00 0.00 C ATOM 23 CG GLN A 2 -14.073 7.979 3.397 1.00 0.00 C ATOM 24 CD GLN A 2 -13.325 8.879 4.366 1.00 0.00 C ATOM 25 OE1 GLN A 2 -12.510 8.411 5.161 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.600 10.179 4.307 1.00 0.00 N ATOM 0 H GLN A 2 -14.573 9.316 1.206 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.907 9.233 2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.827 6.937 1.543 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.421 6.883 2.588 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.950 8.507 3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.434 7.100 3.931 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.282 10.526 3.633 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -13.128 10.829 4.936 1.00 0.00 H new ATOM 35 N LEU A 3 -12.472 7.897 -0.868 1.00 0.00 N ATOM 36 CA LEU A 3 -11.825 7.389 -2.078 1.00 0.00 C ATOM 37 C LEU A 3 -10.784 8.383 -2.600 1.00 0.00 C ATOM 38 O LEU A 3 -9.724 7.986 -3.086 1.00 0.00 O ATOM 39 CB LEU A 3 -12.873 7.112 -3.165 1.00 0.00 C ATOM 40 CG LEU A 3 -12.730 5.767 -3.889 1.00 0.00 C ATOM 41 CD1 LEU A 3 -14.012 5.427 -4.638 1.00 0.00 C ATOM 42 CD2 LEU A 3 -11.548 5.794 -4.848 1.00 0.00 C ATOM 0 H LEU A 3 -13.478 8.039 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.317 6.458 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.863 7.158 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -12.824 7.911 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.548 4.995 -3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.894 4.470 -5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.840 5.363 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.221 6.204 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -11.465 4.830 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.699 6.578 -5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -10.632 5.993 -4.291 1.00 0.00 H new ATOM 54 N LYS A 4 -11.096 9.678 -2.495 1.00 0.00 N ATOM 55 CA LYS A 4 -10.188 10.730 -2.956 1.00 0.00 C ATOM 56 C LYS A 4 -8.901 10.751 -2.130 1.00 0.00 C ATOM 57 O LYS A 4 -7.807 10.879 -2.682 1.00 0.00 O ATOM 58 CB LYS A 4 -10.873 12.101 -2.894 1.00 0.00 C ATOM 59 CG LYS A 4 -10.625 12.966 -4.124 1.00 0.00 C ATOM 60 CD LYS A 4 -10.784 14.448 -3.812 1.00 0.00 C ATOM 61 CE LYS A 4 -11.243 15.232 -5.033 1.00 0.00 C ATOM 62 NZ LYS A 4 -11.001 16.695 -4.881 1.00 0.00 N ATOM 0 H LYS A 4 -11.969 10.022 -2.095 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.927 10.511 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.947 11.956 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.522 12.633 -2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.620 12.780 -4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.321 12.684 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.506 14.575 -3.005 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.835 14.849 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.718 14.868 -5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.306 15.056 -5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.328 17.191 -5.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.522 17.049 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.984 16.867 -4.749 1.00 0.00 H new ATOM 76 N HIS A 5 -9.035 10.625 -0.807 1.00 0.00 N ATOM 77 CA HIS A 5 -7.874 10.630 0.084 1.00 0.00 C ATOM 78 C HIS A 5 -6.920 9.484 -0.253 1.00 0.00 C ATOM 79 O HIS A 5 -5.700 9.652 -0.213 1.00 0.00 O ATOM 80 CB HIS A 5 -8.313 10.526 1.548 1.00 0.00 C ATOM 81 CG HIS A 5 -8.157 11.802 2.321 1.00 0.00 C ATOM 82 ND1 HIS A 5 -7.122 12.691 2.112 1.00 0.00 N ATOM 83 CD2 HIS A 5 -8.909 12.334 3.315 1.00 0.00 C ATOM 84 CE1 HIS A 5 -7.245 13.711 2.943 1.00 0.00 C ATOM 85 NE2 HIS A 5 -8.321 13.519 3.683 1.00 0.00 N ATOM 0 H HIS A 5 -9.931 10.519 -0.332 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.350 11.574 -0.061 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.358 10.217 1.583 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.733 9.743 2.037 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -9.805 11.905 3.739 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -6.578 14.558 3.006 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -8.661 14.149 4.410 1.00 0.00 H new ATOM 94 N CYS A 6 -7.486 8.322 -0.591 1.00 0.00 N ATOM 95 CA CYS A 6 -6.686 7.148 -0.942 1.00 0.00 C ATOM 96 C CYS A 6 -5.777 7.451 -2.133 1.00 0.00 C ATOM 97 O CYS A 6 -4.622 7.025 -2.167 1.00 0.00 O ATOM 98 CB CYS A 6 -7.591 5.955 -1.270 1.00 0.00 C ATOM 99 SG CYS A 6 -8.637 5.418 0.104 1.00 0.00 S ATOM 0 H CYS A 6 -8.494 8.170 -0.629 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.067 6.894 -0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.227 6.218 -2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.969 5.118 -1.587 1.00 0.00 H new ATOM 0 HG CYS A 6 -9.513 6.341 0.369 1.00 0.00 H new ATOM 105 N ASN A 7 -6.309 8.197 -3.105 1.00 0.00 N ATOM 106 CA ASN A 7 -5.550 8.566 -4.298 1.00 0.00 C ATOM 107 C ASN A 7 -4.309 9.377 -3.932 1.00 0.00 C ATOM 108 O ASN A 7 -3.236 9.166 -4.497 1.00 0.00 O ATOM 109 CB ASN A 7 -6.424 9.369 -5.266 1.00 0.00 C ATOM 110 CG ASN A 7 -6.928 8.525 -6.423 1.00 0.00 C ATOM 111 OD1 ASN A 7 -6.145 7.881 -7.122 1.00 0.00 O ATOM 112 ND2 ASN A 7 -8.240 8.523 -6.632 1.00 0.00 N ATOM 0 H ASN A 7 -7.263 8.556 -3.087 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.232 7.644 -4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.274 9.785 -4.725 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.852 10.211 -5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.634 7.973 -7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.853 9.071 -6.029 1.00 0.00 H new ATOM 119 N VAL A 8 -4.462 10.305 -2.985 1.00 0.00 N ATOM 120 CA VAL A 8 -3.346 11.146 -2.549 1.00 0.00 C ATOM 121 C VAL A 8 -2.186 10.297 -2.036 1.00 0.00 C ATOM 122 O VAL A 8 -1.021 10.591 -2.313 1.00 0.00 O ATOM 123 CB VAL A 8 -3.767 12.138 -1.443 1.00 0.00 C ATOM 124 CG1 VAL A 8 -2.640 13.119 -1.149 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.042 12.877 -1.829 1.00 0.00 C ATOM 0 H VAL A 8 -5.344 10.492 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.027 11.712 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.972 11.569 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.954 13.811 -0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.758 12.571 -0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.399 13.678 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.317 13.569 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.875 13.433 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.848 12.158 -1.979 1.00 0.00 H new ATOM 135 N ILE A 9 -2.510 9.241 -1.295 1.00 0.00 N ATOM 136 CA ILE A 9 -1.495 8.346 -0.754 1.00 0.00 C ATOM 137 C ILE A 9 -0.763 7.618 -1.883 1.00 0.00 C ATOM 138 O ILE A 9 0.445 7.395 -1.807 1.00 0.00 O ATOM 139 CB ILE A 9 -2.111 7.307 0.211 1.00 0.00 C ATOM 140 CG1 ILE A 9 -2.993 8.003 1.256 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.015 6.494 0.889 1.00 0.00 C ATOM 142 CD1 ILE A 9 -3.628 7.051 2.246 1.00 0.00 C ATOM 0 H ILE A 9 -3.468 8.985 -1.056 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.787 8.959 -0.197 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.736 6.626 -0.366 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.391 8.731 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.779 8.558 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.466 5.767 1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.429 5.971 0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.365 7.161 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.237 7.614 2.953 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.257 6.338 1.713 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.848 6.514 2.786 1.00 0.00 H new ATOM 154 N LEU A 10 -1.507 7.255 -2.931 1.00 0.00 N ATOM 155 CA LEU A 10 -0.932 6.551 -4.077 1.00 0.00 C ATOM 156 C LEU A 10 0.013 7.450 -4.880 1.00 0.00 C ATOM 157 O LEU A 10 1.125 7.038 -5.214 1.00 0.00 O ATOM 158 CB LEU A 10 -2.044 6.023 -4.992 1.00 0.00 C ATOM 159 CG LEU A 10 -1.749 4.680 -5.668 1.00 0.00 C ATOM 160 CD1 LEU A 10 -2.071 3.525 -4.731 1.00 0.00 C ATOM 161 CD2 LEU A 10 -2.540 4.555 -6.961 1.00 0.00 C ATOM 0 H LEU A 10 -2.508 7.437 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.353 5.714 -3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.958 5.924 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.240 6.766 -5.765 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.686 4.639 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.855 2.580 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.463 3.607 -3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.126 3.559 -4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.321 3.596 -7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.606 4.617 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.261 5.363 -7.638 1.00 0.00 H new ATOM 173 N LYS A 11 -0.430 8.672 -5.199 1.00 0.00 N ATOM 174 CA LYS A 11 0.394 9.600 -5.974 1.00 0.00 C ATOM 175 C LYS A 11 1.644 10.001 -5.202 1.00 0.00 C ATOM 176 O LYS A 11 2.753 9.959 -5.734 1.00 0.00 O ATOM 177 CB LYS A 11 -0.391 10.862 -6.356 1.00 0.00 C ATOM 178 CG LYS A 11 -1.276 11.442 -5.259 1.00 0.00 C ATOM 179 CD LYS A 11 -2.617 11.897 -5.816 1.00 0.00 C ATOM 180 CE LYS A 11 -2.968 13.309 -5.368 1.00 0.00 C ATOM 181 NZ LYS A 11 -4.441 13.536 -5.352 1.00 0.00 N ATOM 0 H LYS A 11 -1.345 9.036 -4.935 1.00 0.00 H new ATOM 0 HA LYS A 11 0.688 9.078 -6.885 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.318 11.628 -6.670 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.016 10.633 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.437 10.693 -4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.770 12.285 -4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.590 11.858 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.397 11.209 -5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.563 13.485 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.497 14.030 -6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.646 14.457 -4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.804 13.527 -6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.902 12.783 -4.803 1.00 0.00 H new ATOM 195 N GLU A 12 1.450 10.377 -3.946 1.00 0.00 N ATOM 196 CA GLU A 12 2.555 10.780 -3.079 1.00 0.00 C ATOM 197 C GLU A 12 3.576 9.647 -2.934 1.00 0.00 C ATOM 198 O GLU A 12 4.781 9.894 -2.871 1.00 0.00 O ATOM 199 CB GLU A 12 2.026 11.196 -1.703 1.00 0.00 C ATOM 200 CG GLU A 12 3.072 11.857 -0.815 1.00 0.00 C ATOM 201 CD GLU A 12 3.536 13.196 -1.357 1.00 0.00 C ATOM 202 OE1 GLU A 12 2.776 14.180 -1.239 1.00 0.00 O ATOM 203 OE2 GLU A 12 4.660 13.259 -1.901 1.00 0.00 O ATOM 0 H GLU A 12 0.533 10.412 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 12 3.054 11.633 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.191 11.884 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.635 10.316 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.659 11.997 0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.930 11.193 -0.715 1.00 0.00 H new ATOM 210 N LEU A 13 3.087 8.404 -2.890 1.00 0.00 N ATOM 211 CA LEU A 13 3.958 7.235 -2.762 1.00 0.00 C ATOM 212 C LEU A 13 4.811 7.043 -4.021 1.00 0.00 C ATOM 213 O LEU A 13 5.971 6.638 -3.936 1.00 0.00 O ATOM 214 CB LEU A 13 3.129 5.971 -2.498 1.00 0.00 C ATOM 215 CG LEU A 13 2.727 5.738 -1.037 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.605 4.712 -0.948 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.926 5.289 -0.214 1.00 0.00 C ATOM 0 H LEU A 13 2.093 8.183 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 13 4.623 7.407 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.223 6.019 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.697 5.107 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 13 2.365 6.681 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.333 4.560 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.737 5.073 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.941 3.768 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.619 5.129 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.320 4.359 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.699 6.057 -0.248 1.00 0.00 H new ATOM 229 N LEU A 14 4.227 7.337 -5.185 1.00 0.00 N ATOM 230 CA LEU A 14 4.929 7.199 -6.464 1.00 0.00 C ATOM 231 C LEU A 14 5.691 8.479 -6.843 1.00 0.00 C ATOM 232 O LEU A 14 6.386 8.511 -7.860 1.00 0.00 O ATOM 233 CB LEU A 14 3.931 6.848 -7.576 1.00 0.00 C ATOM 234 CG LEU A 14 4.430 5.842 -8.620 1.00 0.00 C ATOM 235 CD1 LEU A 14 3.284 4.972 -9.115 1.00 0.00 C ATOM 236 CD2 LEU A 14 5.094 6.562 -9.786 1.00 0.00 C ATOM 0 H LEU A 14 3.268 7.673 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 14 5.657 6.396 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.027 6.449 -7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.648 7.767 -8.089 1.00 0.00 H new ATOM 0 HG LEU A 14 5.172 5.199 -8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.658 4.264 -9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.853 4.426 -8.276 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.519 5.602 -9.569 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.441 5.830 -10.515 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.375 7.231 -10.258 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.942 7.141 -9.421 1.00 0.00 H new ATOM 248 N SER A 15 5.555 9.535 -6.034 1.00 0.00 N ATOM 249 CA SER A 15 6.228 10.806 -6.309 1.00 0.00 C ATOM 250 C SER A 15 7.745 10.687 -6.139 1.00 0.00 C ATOM 251 O SER A 15 8.490 10.763 -7.117 1.00 0.00 O ATOM 252 CB SER A 15 5.677 11.908 -5.398 1.00 0.00 C ATOM 253 OG SER A 15 6.244 13.169 -5.715 1.00 0.00 O ATOM 0 H SER A 15 4.987 9.534 -5.187 1.00 0.00 H new ATOM 0 HA SER A 15 6.029 11.069 -7.348 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.593 11.958 -5.499 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.889 11.663 -4.357 1.00 0.00 H new ATOM 0 HG SER A 15 5.873 13.853 -5.120 1.00 0.00 H new ATOM 259 N LYS A 16 8.194 10.498 -4.896 1.00 0.00 N ATOM 260 CA LYS A 16 9.624 10.364 -4.596 1.00 0.00 C ATOM 261 C LYS A 16 9.865 10.220 -3.091 1.00 0.00 C ATOM 262 O LYS A 16 10.744 9.465 -2.669 1.00 0.00 O ATOM 263 CB LYS A 16 10.421 11.559 -5.138 1.00 0.00 C ATOM 264 CG LYS A 16 9.879 12.918 -4.715 1.00 0.00 C ATOM 265 CD LYS A 16 10.980 13.969 -4.687 1.00 0.00 C ATOM 266 CE LYS A 16 10.479 15.325 -5.163 1.00 0.00 C ATOM 267 NZ LYS A 16 11.596 16.219 -5.583 1.00 0.00 N ATOM 0 H LYS A 16 7.587 10.434 -4.078 1.00 0.00 H new ATOM 0 HA LYS A 16 9.972 9.458 -5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.455 11.473 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.433 11.509 -6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.094 13.229 -5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.424 12.839 -3.728 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.369 14.061 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.808 13.645 -5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.793 15.185 -5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.913 15.803 -4.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.210 17.131 -5.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.237 16.375 -4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.121 15.775 -6.364 1.00 0.00 H new ATOM 281 N LYS A 17 9.082 10.944 -2.288 1.00 0.00 N ATOM 282 CA LYS A 17 9.209 10.893 -0.831 1.00 0.00 C ATOM 283 C LYS A 17 9.205 9.449 -0.328 1.00 0.00 C ATOM 284 O LYS A 17 10.004 9.085 0.536 1.00 0.00 O ATOM 285 CB LYS A 17 8.073 11.679 -0.170 1.00 0.00 C ATOM 286 CG LYS A 17 8.557 12.809 0.723 1.00 0.00 C ATOM 287 CD LYS A 17 8.586 14.135 -0.022 1.00 0.00 C ATOM 288 CE LYS A 17 8.368 15.307 0.921 1.00 0.00 C ATOM 289 NZ LYS A 17 8.796 16.599 0.314 1.00 0.00 N ATOM 0 H LYS A 17 8.353 11.573 -2.623 1.00 0.00 H new ATOM 0 HA LYS A 17 10.162 11.347 -0.561 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.427 12.091 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.464 10.995 0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.904 12.893 1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.555 12.578 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.544 14.248 -0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.815 14.138 -0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.313 15.365 1.190 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.923 15.138 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.630 17.372 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.808 16.554 0.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.248 16.774 -0.553 1.00 0.00 H new ATOM 303 N HIS A 18 8.303 8.633 -0.875 1.00 0.00 N ATOM 304 CA HIS A 18 8.196 7.228 -0.484 1.00 0.00 C ATOM 305 C HIS A 18 8.627 6.290 -1.615 1.00 0.00 C ATOM 306 O HIS A 18 8.161 5.151 -1.696 1.00 0.00 O ATOM 307 CB HIS A 18 6.763 6.911 -0.063 1.00 0.00 C ATOM 308 CG HIS A 18 6.461 7.308 1.345 1.00 0.00 C ATOM 309 ND1 HIS A 18 5.810 8.478 1.675 1.00 0.00 N ATOM 310 CD2 HIS A 18 6.732 6.686 2.514 1.00 0.00 C ATOM 311 CE1 HIS A 18 5.694 8.558 2.988 1.00 0.00 C ATOM 312 NE2 HIS A 18 6.245 7.482 3.519 1.00 0.00 N ATOM 0 H HIS A 18 7.636 8.922 -1.591 1.00 0.00 H new ATOM 0 HA HIS A 18 8.869 7.066 0.358 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.073 7.423 -0.734 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.586 5.842 -0.178 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.471 9.173 1.009 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.238 5.739 2.634 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.228 9.365 3.534 1.00 0.00 H new ATOM 321 N ALA A 19 9.523 6.765 -2.479 1.00 0.00 N ATOM 322 CA ALA A 19 10.015 5.958 -3.594 1.00 0.00 C ATOM 323 C ALA A 19 10.811 4.752 -3.098 1.00 0.00 C ATOM 324 O ALA A 19 10.755 3.680 -3.699 1.00 0.00 O ATOM 325 CB ALA A 19 10.869 6.801 -4.529 1.00 0.00 C ATOM 0 H ALA A 19 9.922 7.702 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 19 9.149 5.590 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.226 6.183 -5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.273 7.623 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.721 7.202 -3.981 1.00 0.00 H new ATOM 331 N ALA A 20 11.547 4.935 -1.996 1.00 0.00 N ATOM 332 CA ALA A 20 12.355 3.859 -1.417 1.00 0.00 C ATOM 333 C ALA A 20 11.512 2.618 -1.121 1.00 0.00 C ATOM 334 O ALA A 20 11.978 1.490 -1.287 1.00 0.00 O ATOM 335 CB ALA A 20 13.053 4.338 -0.152 1.00 0.00 C ATOM 0 H ALA A 20 11.599 5.818 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 20 13.109 3.581 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.649 3.526 0.265 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.703 5.179 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.307 4.653 0.578 1.00 0.00 H new ATOM 341 N TYR A 21 10.268 2.834 -0.691 1.00 0.00 N ATOM 342 CA TYR A 21 9.354 1.732 -0.383 1.00 0.00 C ATOM 343 C TYR A 21 8.381 1.476 -1.542 1.00 0.00 C ATOM 344 O TYR A 21 7.616 0.509 -1.517 1.00 0.00 O ATOM 345 CB TYR A 21 8.564 2.028 0.898 1.00 0.00 C ATOM 346 CG TYR A 21 9.372 2.714 1.977 1.00 0.00 C ATOM 347 CD1 TYR A 21 9.442 4.099 2.043 1.00 0.00 C ATOM 348 CD2 TYR A 21 10.065 1.975 2.926 1.00 0.00 C ATOM 349 CE1 TYR A 21 10.180 4.729 3.025 1.00 0.00 C ATOM 350 CE2 TYR A 21 10.806 2.597 3.912 1.00 0.00 C ATOM 351 CZ TYR A 21 10.861 3.974 3.957 1.00 0.00 C ATOM 352 OH TYR A 21 11.599 4.598 4.936 1.00 0.00 O ATOM 0 H TYR A 21 9.870 3.762 -0.548 1.00 0.00 H new ATOM 0 HA TYR A 21 9.957 0.837 -0.233 1.00 0.00 H new ATOM 0 HB2 TYR A 21 7.707 2.654 0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.170 1.092 1.294 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.911 4.693 1.314 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.024 0.896 2.893 1.00 0.00 H new ATOM 0 HE1 TYR A 21 10.224 5.807 3.063 1.00 0.00 H new ATOM 0 HE2 TYR A 21 11.339 2.008 4.644 1.00 0.00 H new ATOM 0 HH TYR A 21 11.057 5.296 5.359 1.00 0.00 H new ATOM 362 N ALA A 22 8.412 2.347 -2.557 1.00 0.00 N ATOM 363 CA ALA A 22 7.534 2.214 -3.715 1.00 0.00 C ATOM 364 C ALA A 22 8.026 1.141 -4.683 1.00 0.00 C ATOM 365 O ALA A 22 7.238 0.322 -5.147 1.00 0.00 O ATOM 366 CB ALA A 22 7.406 3.548 -4.438 1.00 0.00 C ATOM 0 H ALA A 22 9.038 3.151 -2.596 1.00 0.00 H new ATOM 0 HA ALA A 22 6.555 1.906 -3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.748 3.433 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.988 4.291 -3.759 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.390 3.876 -4.774 1.00 0.00 H new ATOM 372 N TRP A 23 9.326 1.155 -4.999 1.00 0.00 N ATOM 373 CA TRP A 23 9.893 0.179 -5.932 1.00 0.00 C ATOM 374 C TRP A 23 9.882 -1.257 -5.380 1.00 0.00 C ATOM 375 O TRP A 23 9.642 -2.194 -6.142 1.00 0.00 O ATOM 376 CB TRP A 23 11.314 0.577 -6.365 1.00 0.00 C ATOM 377 CG TRP A 23 12.334 0.521 -5.271 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.727 1.550 -4.469 1.00 0.00 C ATOM 379 CD2 TRP A 23 13.102 -0.620 -4.868 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.680 1.120 -3.581 1.00 0.00 N ATOM 381 CE2 TRP A 23 13.931 -0.209 -3.808 1.00 0.00 C ATOM 382 CE3 TRP A 23 13.165 -1.949 -5.296 1.00 0.00 C ATOM 383 CZ2 TRP A 23 14.813 -1.079 -3.171 1.00 0.00 C ATOM 384 CZ3 TRP A 23 14.040 -2.812 -4.664 1.00 0.00 C ATOM 385 CH2 TRP A 23 14.854 -2.374 -3.613 1.00 0.00 C ATOM 0 H TRP A 23 9.998 1.825 -4.626 1.00 0.00 H new ATOM 0 HA TRP A 23 9.244 0.189 -6.808 1.00 0.00 H new ATOM 0 HB2 TRP A 23 11.631 -0.080 -7.174 1.00 0.00 H new ATOM 0 HB3 TRP A 23 11.287 1.589 -6.768 1.00 0.00 H new ATOM 0 HD1 TRP A 23 12.344 2.558 -4.524 1.00 0.00 H new ATOM 0 HE1 TRP A 23 14.129 1.695 -2.868 1.00 0.00 H new ATOM 0 HE3 TRP A 23 12.541 -2.295 -6.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.441 -0.744 -2.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 14.097 -3.841 -4.986 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.529 -3.073 -3.141 1.00 0.00 H new ATOM 396 N PRO A 24 10.136 -1.474 -4.064 1.00 0.00 N ATOM 397 CA PRO A 24 10.138 -2.828 -3.492 1.00 0.00 C ATOM 398 C PRO A 24 8.752 -3.471 -3.507 1.00 0.00 C ATOM 399 O PRO A 24 8.623 -4.672 -3.748 1.00 0.00 O ATOM 400 CB PRO A 24 10.621 -2.620 -2.054 1.00 0.00 C ATOM 401 CG PRO A 24 10.299 -1.202 -1.745 1.00 0.00 C ATOM 402 CD PRO A 24 10.437 -0.452 -3.041 1.00 0.00 C ATOM 0 HA PRO A 24 10.769 -3.505 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.117 -3.299 -1.366 1.00 0.00 H new ATOM 0 HB3 PRO A 24 11.690 -2.811 -1.965 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.289 -1.110 -1.347 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.977 -0.804 -0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.743 0.387 -3.095 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.440 -0.044 -3.164 1.00 0.00 H new ATOM 410 N PHE A 25 7.719 -2.665 -3.254 1.00 0.00 N ATOM 411 CA PHE A 25 6.344 -3.163 -3.246 1.00 0.00 C ATOM 412 C PHE A 25 5.622 -2.861 -4.568 1.00 0.00 C ATOM 413 O PHE A 25 4.452 -3.211 -4.731 1.00 0.00 O ATOM 414 CB PHE A 25 5.566 -2.559 -2.071 1.00 0.00 C ATOM 415 CG PHE A 25 6.125 -2.929 -0.721 1.00 0.00 C ATOM 416 CD1 PHE A 25 6.227 -4.258 -0.337 1.00 0.00 C ATOM 417 CD2 PHE A 25 6.548 -1.948 0.162 1.00 0.00 C ATOM 418 CE1 PHE A 25 6.740 -4.599 0.900 1.00 0.00 C ATOM 419 CE2 PHE A 25 7.061 -2.284 1.401 1.00 0.00 C ATOM 420 CZ PHE A 25 7.157 -3.611 1.770 1.00 0.00 C ATOM 0 H PHE A 25 7.809 -1.669 -3.053 1.00 0.00 H new ATOM 0 HA PHE A 25 6.387 -4.246 -3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.563 -1.473 -2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.528 -2.887 -2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.902 -5.035 -1.013 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.476 -0.908 -0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.815 -5.638 1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.386 -1.509 2.080 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.558 -3.876 2.737 1.00 0.00 H new ATOM 430 N TYR A 26 6.323 -2.216 -5.508 1.00 0.00 N ATOM 431 CA TYR A 26 5.746 -1.873 -6.810 1.00 0.00 C ATOM 432 C TYR A 26 5.292 -3.123 -7.561 1.00 0.00 C ATOM 433 O TYR A 26 4.113 -3.265 -7.893 1.00 0.00 O ATOM 434 CB TYR A 26 6.770 -1.111 -7.659 1.00 0.00 C ATOM 435 CG TYR A 26 6.168 -0.027 -8.525 1.00 0.00 C ATOM 436 CD1 TYR A 26 5.521 -0.340 -9.713 1.00 0.00 C ATOM 437 CD2 TYR A 26 6.257 1.311 -8.158 1.00 0.00 C ATOM 438 CE1 TYR A 26 4.977 0.648 -10.511 1.00 0.00 C ATOM 439 CE2 TYR A 26 5.716 2.305 -8.951 1.00 0.00 C ATOM 440 CZ TYR A 26 5.079 1.968 -10.127 1.00 0.00 C ATOM 441 OH TYR A 26 4.541 2.954 -10.922 1.00 0.00 O ATOM 0 H TYR A 26 7.292 -1.921 -5.389 1.00 0.00 H new ATOM 0 HA TYR A 26 4.876 -1.241 -6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.513 -0.663 -6.999 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.297 -1.820 -8.297 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.442 -1.373 -10.018 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.757 1.578 -7.239 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.474 0.388 -11.431 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.792 3.340 -8.652 1.00 0.00 H new ATOM 0 HH TYR A 26 3.766 2.598 -11.405 1.00 0.00 H new ATOM 451 N LYS A 27 6.237 -4.023 -7.830 1.00 0.00 N ATOM 452 CA LYS A 27 5.942 -5.260 -8.546 1.00 0.00 C ATOM 453 C LYS A 27 5.911 -6.450 -7.590 1.00 0.00 C ATOM 454 O LYS A 27 6.624 -6.467 -6.585 1.00 0.00 O ATOM 455 CB LYS A 27 6.984 -5.500 -9.642 1.00 0.00 C ATOM 456 CG LYS A 27 7.001 -4.420 -10.712 1.00 0.00 C ATOM 457 CD LYS A 27 7.486 -4.961 -12.049 1.00 0.00 C ATOM 458 CE LYS A 27 6.456 -5.884 -12.685 1.00 0.00 C ATOM 459 NZ LYS A 27 6.631 -5.983 -14.161 1.00 0.00 N ATOM 0 H LYS A 27 7.215 -3.917 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 27 4.958 -5.159 -9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.972 -5.563 -9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.789 -6.463 -10.113 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.999 -4.007 -10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.648 -3.602 -10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.698 -4.131 -12.723 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.421 -5.502 -11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.537 -6.877 -12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.454 -5.517 -12.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.910 -6.621 -14.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.528 -5.040 -14.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.578 -6.358 -14.374 1.00 0.00 H new ATOM 473 N PRO A 28 5.083 -7.465 -7.894 1.00 0.00 N ATOM 474 CA PRO A 28 4.965 -8.662 -7.060 1.00 0.00 C ATOM 475 C PRO A 28 6.120 -9.637 -7.276 1.00 0.00 C ATOM 476 O PRO A 28 7.102 -9.314 -7.949 1.00 0.00 O ATOM 477 CB PRO A 28 3.649 -9.280 -7.529 1.00 0.00 C ATOM 478 CG PRO A 28 3.526 -8.870 -8.958 1.00 0.00 C ATOM 479 CD PRO A 28 4.199 -7.527 -9.078 1.00 0.00 C ATOM 0 HA PRO A 28 4.990 -8.427 -5.996 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.663 -10.365 -7.428 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.808 -8.916 -6.939 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.000 -9.601 -9.613 1.00 0.00 H new ATOM 0 HG3 PRO A 28 2.479 -8.807 -9.255 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.767 -7.446 -10.005 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.472 -6.715 -9.077 1.00 0.00 H new ATOM 487 N VAL A 29 5.988 -10.833 -6.711 1.00 0.00 N ATOM 488 CA VAL A 29 7.005 -11.862 -6.848 1.00 0.00 C ATOM 489 C VAL A 29 6.501 -12.970 -7.762 1.00 0.00 C ATOM 490 O VAL A 29 5.748 -13.847 -7.335 1.00 0.00 O ATOM 491 CB VAL A 29 7.401 -12.463 -5.483 1.00 0.00 C ATOM 492 CG1 VAL A 29 8.576 -13.418 -5.640 1.00 0.00 C ATOM 493 CG2 VAL A 29 7.730 -11.359 -4.485 1.00 0.00 C ATOM 0 H VAL A 29 5.182 -11.111 -6.152 1.00 0.00 H new ATOM 0 HA VAL A 29 7.890 -11.394 -7.280 1.00 0.00 H new ATOM 0 HB VAL A 29 6.552 -13.028 -5.097 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.841 -13.832 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.299 -14.227 -6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.430 -12.879 -6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.007 -11.803 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.561 -10.763 -4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.858 -10.720 -4.349 1.00 0.00 H new ATOM 503 N ASP A 30 6.911 -12.911 -9.026 1.00 0.00 N ATOM 504 CA ASP A 30 6.501 -13.898 -10.019 1.00 0.00 C ATOM 505 C ASP A 30 7.052 -15.280 -9.675 1.00 0.00 C ATOM 506 O ASP A 30 8.073 -15.705 -10.214 1.00 0.00 O ATOM 507 CB ASP A 30 6.971 -13.474 -11.413 1.00 0.00 C ATOM 508 CG ASP A 30 6.257 -12.234 -11.916 1.00 0.00 C ATOM 509 OD1 ASP A 30 6.457 -11.150 -11.326 1.00 0.00 O ATOM 510 OD2 ASP A 30 5.497 -12.345 -12.900 1.00 0.00 O ATOM 0 H ASP A 30 7.530 -12.186 -9.388 1.00 0.00 H new ATOM 0 HA ASP A 30 5.412 -13.954 -10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.044 -13.286 -11.389 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.806 -14.293 -12.113 1.00 0.00 H new ATOM 515 N ALA A 31 6.365 -15.972 -8.770 1.00 0.00 N ATOM 516 CA ALA A 31 6.774 -17.307 -8.340 1.00 0.00 C ATOM 517 C ALA A 31 6.897 -18.269 -9.525 1.00 0.00 C ATOM 518 O ALA A 31 7.724 -19.180 -9.506 1.00 0.00 O ATOM 519 CB ALA A 31 5.788 -17.853 -7.317 1.00 0.00 C ATOM 0 H ALA A 31 5.518 -15.628 -8.318 1.00 0.00 H new ATOM 0 HA ALA A 31 7.758 -17.222 -7.880 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.103 -18.848 -7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.759 -17.192 -6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.795 -17.910 -7.763 1.00 0.00 H new ATOM 525 N SER A 32 6.071 -18.064 -10.553 1.00 0.00 N ATOM 526 CA SER A 32 6.099 -18.921 -11.737 1.00 0.00 C ATOM 527 C SER A 32 7.278 -18.575 -12.647 1.00 0.00 C ATOM 528 O SER A 32 8.008 -19.462 -13.089 1.00 0.00 O ATOM 529 CB SER A 32 4.789 -18.805 -12.520 1.00 0.00 C ATOM 530 OG SER A 32 4.405 -20.062 -13.050 1.00 0.00 O ATOM 0 H SER A 32 5.379 -17.316 -10.589 1.00 0.00 H new ATOM 0 HA SER A 32 6.219 -19.949 -11.394 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.003 -18.425 -11.868 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.907 -18.085 -13.330 1.00 0.00 H new ATOM 0 HG SER A 32 3.565 -19.965 -13.545 1.00 0.00 H new ATOM 536 N ALA A 33 7.453 -17.284 -12.927 1.00 0.00 N ATOM 537 CA ALA A 33 8.538 -16.820 -13.792 1.00 0.00 C ATOM 538 C ALA A 33 9.895 -16.892 -13.092 1.00 0.00 C ATOM 539 O ALA A 33 10.851 -17.448 -13.632 1.00 0.00 O ATOM 540 CB ALA A 33 8.263 -15.398 -14.265 1.00 0.00 C ATOM 0 H ALA A 33 6.856 -16.539 -12.567 1.00 0.00 H new ATOM 0 HA ALA A 33 8.578 -17.485 -14.655 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.078 -15.064 -14.908 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.327 -15.375 -14.824 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.187 -14.736 -13.402 1.00 0.00 H new ATOM 546 N LEU A 34 9.972 -16.319 -11.892 1.00 0.00 N ATOM 547 CA LEU A 34 11.212 -16.306 -11.116 1.00 0.00 C ATOM 548 C LEU A 34 11.640 -17.722 -10.728 1.00 0.00 C ATOM 549 O LEU A 34 12.726 -18.170 -11.099 1.00 0.00 O ATOM 550 CB LEU A 34 11.039 -15.443 -9.861 1.00 0.00 C ATOM 551 CG LEU A 34 12.317 -14.786 -9.333 1.00 0.00 C ATOM 552 CD1 LEU A 34 12.812 -13.716 -10.298 1.00 0.00 C ATOM 553 CD2 LEU A 34 12.072 -14.193 -7.952 1.00 0.00 C ATOM 0 H LEU A 34 9.187 -15.856 -11.434 1.00 0.00 H new ATOM 0 HA LEU A 34 11.996 -15.878 -11.740 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.311 -14.661 -10.076 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.616 -16.063 -9.070 1.00 0.00 H new ATOM 0 HG LEU A 34 13.090 -15.550 -9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.721 -13.262 -9.903 1.00 0.00 H new ATOM 0 HD12 LEU A 34 13.024 -14.169 -11.266 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.046 -12.950 -10.416 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.988 -13.729 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.284 -13.442 -8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.768 -14.983 -7.266 1.00 0.00 H new ATOM 565 N GLY A 35 10.783 -18.422 -9.982 1.00 0.00 N ATOM 566 CA GLY A 35 11.096 -19.778 -9.560 1.00 0.00 C ATOM 567 C GLY A 35 10.832 -20.012 -8.084 1.00 0.00 C ATOM 568 O GLY A 35 11.763 -20.235 -7.309 1.00 0.00 O ATOM 0 H GLY A 35 9.879 -18.073 -9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.504 -20.481 -10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.144 -19.987 -9.774 1.00 0.00 H new ATOM 572 N LEU A 36 9.558 -19.963 -7.696 1.00 0.00 N ATOM 573 CA LEU A 36 9.167 -20.173 -6.304 1.00 0.00 C ATOM 574 C LEU A 36 7.843 -20.929 -6.216 1.00 0.00 C ATOM 575 O LEU A 36 6.790 -20.391 -6.560 1.00 0.00 O ATOM 576 CB LEU A 36 9.040 -18.831 -5.575 1.00 0.00 C ATOM 577 CG LEU A 36 10.355 -18.085 -5.328 1.00 0.00 C ATOM 578 CD1 LEU A 36 10.082 -16.628 -4.984 1.00 0.00 C ATOM 579 CD2 LEU A 36 11.153 -18.758 -4.220 1.00 0.00 C ATOM 0 H LEU A 36 8.779 -19.779 -8.328 1.00 0.00 H new ATOM 0 HA LEU A 36 9.944 -20.770 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.380 -18.185 -6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.555 -19.004 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 36 10.947 -18.118 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.026 -16.112 -4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.554 -16.152 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.470 -16.575 -4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 36 12.083 -18.213 -4.059 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.569 -18.758 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.379 -19.785 -4.507 1.00 0.00 H new ATOM 591 N HIS A 37 7.896 -22.173 -5.747 1.00 0.00 N ATOM 592 CA HIS A 37 6.689 -22.986 -5.609 1.00 0.00 C ATOM 593 C HIS A 37 6.055 -22.789 -4.231 1.00 0.00 C ATOM 594 O HIS A 37 4.831 -22.818 -4.096 1.00 0.00 O ATOM 595 CB HIS A 37 7.004 -24.468 -5.841 1.00 0.00 C ATOM 596 CG HIS A 37 6.105 -25.125 -6.846 1.00 0.00 C ATOM 597 ND1 HIS A 37 5.577 -24.462 -7.936 1.00 0.00 N ATOM 598 CD2 HIS A 37 5.645 -26.396 -6.923 1.00 0.00 C ATOM 599 CE1 HIS A 37 4.831 -25.297 -8.638 1.00 0.00 C ATOM 600 NE2 HIS A 37 4.857 -26.476 -8.045 1.00 0.00 N ATOM 0 H HIS A 37 8.756 -22.639 -5.457 1.00 0.00 H new ATOM 0 HA HIS A 37 5.976 -22.660 -6.366 1.00 0.00 H new ATOM 0 HB2 HIS A 37 8.037 -24.563 -6.174 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.925 -25.000 -4.893 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.858 -27.197 -6.231 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.292 -25.056 -9.542 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.370 -27.312 -8.368 1.00 0.00 H new ATOM 609 N ASP A 38 6.895 -22.583 -3.212 1.00 0.00 N ATOM 610 CA ASP A 38 6.410 -22.377 -1.847 1.00 0.00 C ATOM 611 C ASP A 38 5.687 -21.035 -1.707 1.00 0.00 C ATOM 612 O ASP A 38 4.749 -20.912 -0.921 1.00 0.00 O ATOM 613 CB ASP A 38 7.566 -22.454 -0.845 1.00 0.00 C ATOM 614 CG ASP A 38 7.410 -23.607 0.127 1.00 0.00 C ATOM 615 OD1 ASP A 38 6.597 -23.487 1.067 1.00 0.00 O ATOM 616 OD2 ASP A 38 8.099 -24.633 -0.054 1.00 0.00 O ATOM 0 H ASP A 38 7.910 -22.555 -3.307 1.00 0.00 H new ATOM 0 HA ASP A 38 5.698 -23.173 -1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.506 -22.563 -1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.625 -21.518 -0.289 1.00 0.00 H new ATOM 621 N TYR A 39 6.125 -20.033 -2.474 1.00 0.00 N ATOM 622 CA TYR A 39 5.509 -18.704 -2.432 1.00 0.00 C ATOM 623 C TYR A 39 4.004 -18.793 -2.684 1.00 0.00 C ATOM 624 O TYR A 39 3.212 -18.140 -2.002 1.00 0.00 O ATOM 625 CB TYR A 39 6.162 -17.784 -3.471 1.00 0.00 C ATOM 626 CG TYR A 39 5.745 -16.329 -3.360 1.00 0.00 C ATOM 627 CD1 TYR A 39 4.509 -15.899 -3.833 1.00 0.00 C ATOM 628 CD2 TYR A 39 6.591 -15.386 -2.788 1.00 0.00 C ATOM 629 CE1 TYR A 39 4.131 -14.573 -3.738 1.00 0.00 C ATOM 630 CE2 TYR A 39 6.218 -14.058 -2.688 1.00 0.00 C ATOM 631 CZ TYR A 39 4.987 -13.658 -3.165 1.00 0.00 C ATOM 632 OH TYR A 39 4.612 -12.337 -3.068 1.00 0.00 O ATOM 0 H TYR A 39 6.902 -20.116 -3.130 1.00 0.00 H new ATOM 0 HA TYR A 39 5.667 -18.287 -1.437 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.245 -17.849 -3.368 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.914 -18.147 -4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.834 -16.613 -4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.556 -15.696 -2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.169 -14.255 -4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.887 -13.338 -2.239 1.00 0.00 H new ATOM 0 HH TYR A 39 5.328 -11.824 -2.639 1.00 0.00 H new ATOM 642 N HIS A 40 3.616 -19.605 -3.666 1.00 0.00 N ATOM 643 CA HIS A 40 2.206 -19.781 -4.005 1.00 0.00 C ATOM 644 C HIS A 40 1.502 -20.708 -3.012 1.00 0.00 C ATOM 645 O HIS A 40 0.289 -20.615 -2.826 1.00 0.00 O ATOM 646 CB HIS A 40 2.059 -20.330 -5.426 1.00 0.00 C ATOM 647 CG HIS A 40 0.810 -19.874 -6.116 1.00 0.00 C ATOM 648 ND1 HIS A 40 -0.006 -20.723 -6.835 1.00 0.00 N ATOM 649 CD2 HIS A 40 0.237 -18.648 -6.197 1.00 0.00 C ATOM 650 CE1 HIS A 40 -1.024 -20.039 -7.328 1.00 0.00 C ATOM 651 NE2 HIS A 40 -0.900 -18.779 -6.954 1.00 0.00 N ATOM 0 H HIS A 40 4.258 -20.151 -4.240 1.00 0.00 H new ATOM 0 HA HIS A 40 1.731 -18.801 -3.950 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.923 -20.025 -6.016 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.067 -21.419 -5.389 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.607 -17.737 -5.749 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.822 -20.442 -7.934 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.545 -18.025 -7.190 1.00 0.00 H new ATOM 660 N ASP A 41 2.262 -21.600 -2.376 1.00 0.00 N ATOM 661 CA ASP A 41 1.693 -22.531 -1.405 1.00 0.00 C ATOM 662 C ASP A 41 1.436 -21.839 -0.066 1.00 0.00 C ATOM 663 O ASP A 41 0.384 -22.028 0.544 1.00 0.00 O ATOM 664 CB ASP A 41 2.618 -23.736 -1.203 1.00 0.00 C ATOM 665 CG ASP A 41 2.026 -25.013 -1.768 1.00 0.00 C ATOM 666 OD1 ASP A 41 1.922 -25.120 -3.008 1.00 0.00 O ATOM 667 OD2 ASP A 41 1.661 -25.903 -0.971 1.00 0.00 O ATOM 0 H ASP A 41 3.268 -21.696 -2.516 1.00 0.00 H new ATOM 0 HA ASP A 41 0.740 -22.882 -1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.578 -23.540 -1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.813 -23.868 -0.139 1.00 0.00 H new ATOM 672 N ILE A 42 2.403 -21.038 0.384 1.00 0.00 N ATOM 673 CA ILE A 42 2.280 -20.320 1.651 1.00 0.00 C ATOM 674 C ILE A 42 1.360 -19.107 1.521 1.00 0.00 C ATOM 675 O ILE A 42 0.385 -18.976 2.263 1.00 0.00 O ATOM 676 CB ILE A 42 3.653 -19.848 2.181 1.00 0.00 C ATOM 677 CG1 ILE A 42 4.652 -21.009 2.213 1.00 0.00 C ATOM 678 CG2 ILE A 42 3.505 -19.238 3.569 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.097 -20.560 2.229 1.00 0.00 C ATOM 0 H ILE A 42 3.279 -20.871 -0.111 1.00 0.00 H new ATOM 0 HA ILE A 42 1.849 -21.027 2.360 1.00 0.00 H new ATOM 0 HB ILE A 42 4.037 -19.085 1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.460 -21.620 3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.487 -21.645 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.481 -18.911 3.928 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.830 -18.383 3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.098 -19.983 4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.749 -21.433 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.306 -19.974 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.278 -19.949 3.113 1.00 0.00 H new ATOM 691 N ILE A 43 1.681 -18.213 0.586 1.00 0.00 N ATOM 692 CA ILE A 43 0.885 -17.006 0.377 1.00 0.00 C ATOM 693 C ILE A 43 -0.382 -17.305 -0.424 1.00 0.00 C ATOM 694 O ILE A 43 -1.492 -17.080 0.060 1.00 0.00 O ATOM 695 CB ILE A 43 1.700 -15.899 -0.333 1.00 0.00 C ATOM 696 CG1 ILE A 43 3.036 -15.675 0.384 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.902 -14.603 -0.392 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.960 -14.719 -0.339 1.00 0.00 C ATOM 0 H ILE A 43 2.484 -18.302 -0.036 1.00 0.00 H new ATOM 0 HA ILE A 43 0.599 -16.646 1.365 1.00 0.00 H new ATOM 0 HB ILE A 43 1.906 -16.223 -1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.841 -15.291 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.540 -16.634 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.491 -13.836 -0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.023 -14.770 -0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.666 -14.274 0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.885 -14.609 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.185 -15.111 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.476 -13.747 -0.434 1.00 0.00 H new ATOM 710 N LYS A 44 -0.209 -17.808 -1.652 1.00 0.00 N ATOM 711 CA LYS A 44 -1.331 -18.144 -2.538 1.00 0.00 C ATOM 712 C LYS A 44 -1.927 -16.906 -3.221 1.00 0.00 C ATOM 713 O LYS A 44 -2.489 -17.012 -4.313 1.00 0.00 O ATOM 714 CB LYS A 44 -2.420 -18.894 -1.766 1.00 0.00 C ATOM 715 CG LYS A 44 -3.187 -19.901 -2.611 1.00 0.00 C ATOM 716 CD LYS A 44 -2.758 -21.329 -2.311 1.00 0.00 C ATOM 717 CE LYS A 44 -2.853 -22.214 -3.546 1.00 0.00 C ATOM 718 NZ LYS A 44 -1.885 -21.807 -4.604 1.00 0.00 N ATOM 0 H LYS A 44 0.708 -17.993 -2.059 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.934 -18.790 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.963 -19.413 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.123 -18.171 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.255 -19.795 -2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.026 -19.687 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.733 -21.331 -1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.385 -21.739 -1.520 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.666 -23.250 -3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.866 -22.170 -3.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.579 -22.646 -5.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.342 -21.133 -5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.058 -21.357 -4.163 1.00 0.00 H new ATOM 732 N HIS A 45 -1.806 -15.739 -2.582 1.00 0.00 N ATOM 733 CA HIS A 45 -2.338 -14.495 -3.138 1.00 0.00 C ATOM 734 C HIS A 45 -1.248 -13.422 -3.227 1.00 0.00 C ATOM 735 O HIS A 45 -1.082 -12.618 -2.307 1.00 0.00 O ATOM 736 CB HIS A 45 -3.502 -13.989 -2.279 1.00 0.00 C ATOM 737 CG HIS A 45 -4.614 -13.370 -3.071 1.00 0.00 C ATOM 738 ND1 HIS A 45 -4.692 -12.017 -3.334 1.00 0.00 N ATOM 739 CD2 HIS A 45 -5.706 -13.926 -3.649 1.00 0.00 C ATOM 740 CE1 HIS A 45 -5.783 -11.770 -4.038 1.00 0.00 C ATOM 741 NE2 HIS A 45 -6.414 -12.910 -4.243 1.00 0.00 N ATOM 0 H HIS A 45 -1.344 -15.631 -1.679 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.698 -14.701 -4.146 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.901 -14.821 -1.698 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.124 -13.256 -1.567 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.970 -14.973 -3.644 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.104 -10.799 -4.386 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.287 -13.019 -4.759 1.00 0.00 H new ATOM 750 N PRO A 46 -0.488 -13.398 -4.340 1.00 0.00 N ATOM 751 CA PRO A 46 0.590 -12.419 -4.546 1.00 0.00 C ATOM 752 C PRO A 46 0.058 -10.995 -4.709 1.00 0.00 C ATOM 753 O PRO A 46 -0.376 -10.602 -5.794 1.00 0.00 O ATOM 754 CB PRO A 46 1.269 -12.896 -5.835 1.00 0.00 C ATOM 755 CG PRO A 46 0.225 -13.687 -6.547 1.00 0.00 C ATOM 756 CD PRO A 46 -0.619 -14.324 -5.480 1.00 0.00 C ATOM 0 HA PRO A 46 1.265 -12.371 -3.692 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.607 -12.054 -6.439 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.147 -13.505 -5.618 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.378 -13.046 -7.189 1.00 0.00 H new ATOM 0 HG3 PRO A 46 0.679 -14.443 -7.187 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.657 -14.426 -5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.262 -15.323 -5.229 1.00 0.00 H new ATOM 764 N MET A 47 0.093 -10.228 -3.620 1.00 0.00 N ATOM 765 CA MET A 47 -0.387 -8.848 -3.635 1.00 0.00 C ATOM 766 C MET A 47 0.753 -7.870 -3.917 1.00 0.00 C ATOM 767 O MET A 47 1.867 -8.041 -3.417 1.00 0.00 O ATOM 768 CB MET A 47 -1.060 -8.503 -2.303 1.00 0.00 C ATOM 769 CG MET A 47 -2.568 -8.701 -2.316 1.00 0.00 C ATOM 770 SD MET A 47 -3.421 -7.610 -1.162 1.00 0.00 S ATOM 771 CE MET A 47 -3.174 -6.023 -1.954 1.00 0.00 C ATOM 0 H MET A 47 0.449 -10.540 -2.716 1.00 0.00 H new ATOM 0 HA MET A 47 -1.119 -8.757 -4.437 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.627 -9.120 -1.516 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.840 -7.465 -2.052 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.945 -8.524 -3.323 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.797 -9.737 -2.067 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.121 -5.242 -1.195 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.244 -6.041 -2.522 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.006 -5.819 -2.628 1.00 0.00 H new ATOM 781 N ASP A 48 0.466 -6.849 -4.727 1.00 0.00 N ATOM 782 CA ASP A 48 1.466 -5.842 -5.091 1.00 0.00 C ATOM 783 C ASP A 48 0.806 -4.502 -5.422 1.00 0.00 C ATOM 784 O ASP A 48 -0.399 -4.440 -5.668 1.00 0.00 O ATOM 785 CB ASP A 48 2.279 -6.326 -6.293 1.00 0.00 C ATOM 786 CG ASP A 48 1.392 -6.776 -7.438 1.00 0.00 C ATOM 787 OD1 ASP A 48 0.810 -7.876 -7.343 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.269 -6.023 -8.422 1.00 0.00 O ATOM 0 H ASP A 48 -0.452 -6.697 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 48 2.127 -5.697 -4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.932 -5.523 -6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.922 -7.151 -5.987 1.00 0.00 H new ATOM 793 N LEU A 49 1.608 -3.432 -5.437 1.00 0.00 N ATOM 794 CA LEU A 49 1.100 -2.092 -5.747 1.00 0.00 C ATOM 795 C LEU A 49 0.478 -2.044 -7.143 1.00 0.00 C ATOM 796 O LEU A 49 -0.532 -1.370 -7.352 1.00 0.00 O ATOM 797 CB LEU A 49 2.217 -1.047 -5.647 1.00 0.00 C ATOM 798 CG LEU A 49 1.993 0.042 -4.592 1.00 0.00 C ATOM 799 CD1 LEU A 49 2.480 -0.427 -3.228 1.00 0.00 C ATOM 800 CD2 LEU A 49 2.691 1.334 -4.998 1.00 0.00 C ATOM 0 H LEU A 49 2.608 -3.468 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 49 0.329 -1.860 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.154 -1.559 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.336 -0.570 -6.620 1.00 0.00 H new ATOM 0 HG LEU A 49 0.923 0.239 -4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.313 0.359 -2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.932 -1.322 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.545 -0.655 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.520 2.095 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.761 1.154 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.292 1.679 -5.952 1.00 0.00 H new ATOM 812 N SER A 50 1.083 -2.764 -8.093 1.00 0.00 N ATOM 813 CA SER A 50 0.579 -2.803 -9.466 1.00 0.00 C ATOM 814 C SER A 50 -0.860 -3.315 -9.501 1.00 0.00 C ATOM 815 O SER A 50 -1.686 -2.816 -10.268 1.00 0.00 O ATOM 816 CB SER A 50 1.471 -3.682 -10.348 1.00 0.00 C ATOM 817 OG SER A 50 2.385 -2.897 -11.095 1.00 0.00 O ATOM 0 H SER A 50 1.920 -3.326 -7.935 1.00 0.00 H new ATOM 0 HA SER A 50 0.596 -1.786 -9.858 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.019 -4.389 -9.725 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.851 -4.268 -11.027 1.00 0.00 H new ATOM 0 HG SER A 50 2.943 -3.483 -11.648 1.00 0.00 H new ATOM 823 N THR A 51 -1.160 -4.304 -8.656 1.00 0.00 N ATOM 824 CA THR A 51 -2.505 -4.867 -8.586 1.00 0.00 C ATOM 825 C THR A 51 -3.476 -3.857 -7.970 1.00 0.00 C ATOM 826 O THR A 51 -4.625 -3.750 -8.400 1.00 0.00 O ATOM 827 CB THR A 51 -2.507 -6.171 -7.777 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.662 -7.134 -8.381 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.879 -6.797 -7.645 1.00 0.00 C ATOM 0 H THR A 51 -0.491 -4.728 -8.014 1.00 0.00 H new ATOM 0 HA THR A 51 -2.834 -5.092 -9.601 1.00 0.00 H new ATOM 0 HB THR A 51 -2.154 -5.892 -6.784 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.926 -7.352 -7.771 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.806 -7.715 -7.062 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.550 -6.100 -7.142 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.271 -7.027 -8.636 1.00 0.00 H new ATOM 837 N VAL A 52 -3.004 -3.112 -6.968 1.00 0.00 N ATOM 838 CA VAL A 52 -3.832 -2.105 -6.306 1.00 0.00 C ATOM 839 C VAL A 52 -4.233 -0.997 -7.286 1.00 0.00 C ATOM 840 O VAL A 52 -5.382 -0.552 -7.294 1.00 0.00 O ATOM 841 CB VAL A 52 -3.108 -1.472 -5.095 1.00 0.00 C ATOM 842 CG1 VAL A 52 -4.038 -0.526 -4.352 1.00 0.00 C ATOM 843 CG2 VAL A 52 -2.574 -2.546 -4.153 1.00 0.00 C ATOM 0 H VAL A 52 -2.056 -3.187 -6.599 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.725 -2.618 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.259 -0.901 -5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.511 -0.090 -3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.362 0.268 -5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.908 -1.077 -3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.070 -2.073 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.402 -3.153 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.868 -3.181 -4.688 1.00 0.00 H new ATOM 853 N LYS A 53 -3.282 -0.566 -8.121 1.00 0.00 N ATOM 854 CA LYS A 53 -3.542 0.480 -9.114 1.00 0.00 C ATOM 855 C LYS A 53 -4.638 0.043 -10.087 1.00 0.00 C ATOM 856 O LYS A 53 -5.504 0.840 -10.454 1.00 0.00 O ATOM 857 CB LYS A 53 -2.263 0.818 -9.889 1.00 0.00 C ATOM 858 CG LYS A 53 -2.354 2.098 -10.712 1.00 0.00 C ATOM 859 CD LYS A 53 -2.525 3.328 -9.832 1.00 0.00 C ATOM 860 CE LYS A 53 -2.267 4.614 -10.608 1.00 0.00 C ATOM 861 NZ LYS A 53 -1.048 5.331 -10.131 1.00 0.00 N ATOM 0 H LYS A 53 -2.327 -0.925 -8.129 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.879 1.370 -8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.437 0.910 -9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.023 -0.012 -10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.453 2.206 -11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.194 2.026 -11.403 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.535 3.346 -9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.840 3.269 -8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.157 4.380 -11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.132 5.271 -10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.556 5.757 -10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.324 6.078 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.413 4.658 -9.656 1.00 0.00 H new ATOM 875 N ARG A 54 -4.595 -1.229 -10.497 1.00 0.00 N ATOM 876 CA ARG A 54 -5.588 -1.778 -11.424 1.00 0.00 C ATOM 877 C ARG A 54 -7.004 -1.650 -10.856 1.00 0.00 C ATOM 878 O ARG A 54 -7.964 -1.461 -11.603 1.00 0.00 O ATOM 879 CB ARG A 54 -5.280 -3.247 -11.736 1.00 0.00 C ATOM 880 CG ARG A 54 -4.082 -3.439 -12.654 1.00 0.00 C ATOM 881 CD ARG A 54 -4.512 -3.655 -14.097 1.00 0.00 C ATOM 882 NE ARG A 54 -4.645 -5.074 -14.429 1.00 0.00 N ATOM 883 CZ ARG A 54 -5.012 -5.530 -15.631 1.00 0.00 C ATOM 884 NH1 ARG A 54 -5.283 -4.682 -16.620 1.00 0.00 N ATOM 885 NH2 ARG A 54 -5.109 -6.837 -15.844 1.00 0.00 N ATOM 0 H ARG A 54 -3.883 -1.897 -10.201 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.535 -1.201 -12.347 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.099 -3.778 -10.801 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.156 -3.703 -12.197 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.433 -2.565 -12.594 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.497 -4.294 -12.316 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.464 -3.153 -14.269 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.783 -3.195 -14.764 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.445 -5.757 -13.698 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.211 -3.677 -16.464 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.562 -5.037 -17.534 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.904 -7.493 -15.091 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.389 -7.185 -16.761 1.00 0.00 H new ATOM 899 N LYS A 55 -7.127 -1.749 -9.531 1.00 0.00 N ATOM 900 CA LYS A 55 -8.425 -1.634 -8.871 1.00 0.00 C ATOM 901 C LYS A 55 -8.919 -0.187 -8.889 1.00 0.00 C ATOM 902 O LYS A 55 -10.095 0.070 -9.141 1.00 0.00 O ATOM 903 CB LYS A 55 -8.341 -2.133 -7.425 1.00 0.00 C ATOM 904 CG LYS A 55 -8.659 -3.611 -7.266 1.00 0.00 C ATOM 905 CD LYS A 55 -7.510 -4.483 -7.739 1.00 0.00 C ATOM 906 CE LYS A 55 -7.863 -5.959 -7.655 1.00 0.00 C ATOM 907 NZ LYS A 55 -7.171 -6.760 -8.703 1.00 0.00 N ATOM 0 H LYS A 55 -6.344 -1.908 -8.897 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.134 -2.253 -9.420 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.338 -1.944 -7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.031 -1.554 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.874 -3.827 -6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.558 -3.854 -7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.256 -4.226 -8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.626 -4.284 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.593 -6.341 -6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.941 -6.080 -7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.975 -7.714 -8.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.778 -6.829 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.276 -6.297 -8.959 1.00 0.00 H new ATOM 921 N MET A 56 -8.013 0.755 -8.615 1.00 0.00 N ATOM 922 CA MET A 56 -8.363 2.177 -8.594 1.00 0.00 C ATOM 923 C MET A 56 -8.853 2.658 -9.961 1.00 0.00 C ATOM 924 O MET A 56 -9.766 3.480 -10.042 1.00 0.00 O ATOM 925 CB MET A 56 -7.163 3.022 -8.155 1.00 0.00 C ATOM 926 CG MET A 56 -6.622 2.657 -6.780 1.00 0.00 C ATOM 927 SD MET A 56 -5.621 3.971 -6.055 1.00 0.00 S ATOM 928 CE MET A 56 -6.593 4.382 -4.607 1.00 0.00 C ATOM 0 H MET A 56 -7.034 0.559 -8.405 1.00 0.00 H new ATOM 0 HA MET A 56 -9.174 2.298 -7.876 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.365 2.912 -8.890 1.00 0.00 H new ATOM 0 HB3 MET A 56 -7.452 4.073 -8.154 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.455 2.431 -6.114 1.00 0.00 H new ATOM 0 HG3 MET A 56 -6.022 1.750 -6.859 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.957 4.869 -3.868 1.00 0.00 H new ATOM 0 HE2 MET A 56 -7.401 5.056 -4.891 1.00 0.00 H new ATOM 0 HE3 MET A 56 -7.013 3.471 -4.181 1.00 0.00 H new ATOM 938 N GLU A 57 -8.244 2.145 -11.030 1.00 0.00 N ATOM 939 CA GLU A 57 -8.628 2.530 -12.390 1.00 0.00 C ATOM 940 C GLU A 57 -9.984 1.939 -12.776 1.00 0.00 C ATOM 941 O GLU A 57 -10.686 2.482 -13.629 1.00 0.00 O ATOM 942 CB GLU A 57 -7.557 2.101 -13.401 1.00 0.00 C ATOM 943 CG GLU A 57 -7.358 0.593 -13.497 1.00 0.00 C ATOM 944 CD GLU A 57 -6.618 0.171 -14.756 1.00 0.00 C ATOM 945 OE1 GLU A 57 -6.812 0.815 -15.809 1.00 0.00 O ATOM 946 OE2 GLU A 57 -5.845 -0.807 -14.688 1.00 0.00 O ATOM 0 H GLU A 57 -7.486 1.465 -10.982 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.714 3.616 -12.410 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.828 2.484 -14.385 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.609 2.565 -13.128 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.804 0.249 -12.624 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.330 0.101 -13.472 1.00 0.00 H new ATOM 953 N ASN A 58 -10.352 0.830 -12.135 1.00 0.00 N ATOM 954 CA ASN A 58 -11.624 0.173 -12.402 1.00 0.00 C ATOM 955 C ASN A 58 -12.659 0.535 -11.332 1.00 0.00 C ATOM 956 O ASN A 58 -13.799 0.071 -11.382 1.00 0.00 O ATOM 957 CB ASN A 58 -11.427 -1.347 -12.455 1.00 0.00 C ATOM 958 CG ASN A 58 -11.407 -1.880 -13.875 1.00 0.00 C ATOM 959 OD1 ASN A 58 -12.453 -2.176 -14.453 1.00 0.00 O ATOM 960 ND2 ASN A 58 -10.214 -2.005 -14.448 1.00 0.00 N ATOM 0 H ASN A 58 -9.783 0.369 -11.425 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.996 0.519 -13.367 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.491 -1.607 -11.960 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.228 -1.834 -11.899 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.141 -2.358 -15.402 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.372 -1.748 -13.933 1.00 0.00 H new ATOM 967 N ARG A 59 -12.251 1.364 -10.359 1.00 0.00 N ATOM 968 CA ARG A 59 -13.130 1.783 -9.278 1.00 0.00 C ATOM 969 C ARG A 59 -13.510 0.593 -8.393 1.00 0.00 C ATOM 970 O ARG A 59 -14.618 0.528 -7.858 1.00 0.00 O ATOM 971 CB ARG A 59 -14.379 2.456 -9.845 1.00 0.00 C ATOM 972 CG ARG A 59 -15.117 3.310 -8.829 1.00 0.00 C ATOM 973 CD ARG A 59 -16.015 4.338 -9.501 1.00 0.00 C ATOM 974 NE ARG A 59 -16.264 5.497 -8.644 1.00 0.00 N ATOM 975 CZ ARG A 59 -16.684 6.684 -9.093 1.00 0.00 C ATOM 976 NH1 ARG A 59 -16.909 6.875 -10.392 1.00 0.00 N ATOM 977 NH2 ARG A 59 -16.881 7.682 -8.241 1.00 0.00 N ATOM 0 H ARG A 59 -11.310 1.755 -10.307 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.597 2.505 -8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -14.094 3.078 -10.693 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.055 1.690 -10.224 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -15.718 2.669 -8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.396 3.820 -8.190 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.553 4.669 -10.431 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -16.965 3.872 -9.764 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.107 5.393 -7.641 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.761 6.112 -11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.229 7.784 -10.726 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.712 7.543 -7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.201 8.588 -8.582 1.00 0.00 H new ATOM 991 N ASP A 60 -12.572 -0.342 -8.239 1.00 0.00 N ATOM 992 CA ASP A 60 -12.791 -1.531 -7.418 1.00 0.00 C ATOM 993 C ASP A 60 -12.841 -1.176 -5.932 1.00 0.00 C ATOM 994 O ASP A 60 -13.533 -1.833 -5.151 1.00 0.00 O ATOM 995 CB ASP A 60 -11.682 -2.553 -7.670 1.00 0.00 C ATOM 996 CG ASP A 60 -11.988 -3.908 -7.063 1.00 0.00 C ATOM 997 OD1 ASP A 60 -12.650 -4.725 -7.736 1.00 0.00 O ATOM 998 OD2 ASP A 60 -11.562 -4.154 -5.914 1.00 0.00 O ATOM 0 H ASP A 60 -11.651 -0.298 -8.674 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.752 -1.962 -7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.534 -2.665 -8.744 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.746 -2.177 -7.257 1.00 0.00 H new ATOM 1003 N TYR A 61 -12.111 -0.129 -5.548 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.081 0.316 -4.167 1.00 0.00 C ATOM 1005 C TYR A 61 -13.096 1.427 -3.956 1.00 0.00 C ATOM 1006 O TYR A 61 -12.777 2.608 -4.104 1.00 0.00 O ATOM 1007 CB TYR A 61 -10.684 0.815 -3.790 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.611 -0.250 -3.846 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.733 -1.431 -3.122 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.473 -0.069 -4.620 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -8.751 -2.400 -3.171 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.486 -1.033 -4.674 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.629 -2.196 -3.948 1.00 0.00 C ATOM 1014 OH TYR A 61 -6.646 -3.157 -4.000 1.00 0.00 O ATOM 0 H TYR A 61 -11.533 0.424 -6.181 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.334 -0.530 -3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.408 1.629 -4.460 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.718 1.229 -2.782 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.609 -1.593 -2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.358 0.841 -5.190 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.860 -3.313 -2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.607 -0.877 -5.282 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.538 -3.465 -4.924 1.00 0.00 H new ATOM 1024 N ARG A 62 -14.318 1.044 -3.602 1.00 0.00 N ATOM 1025 CA ARG A 62 -15.377 2.019 -3.361 1.00 0.00 C ATOM 1026 C ARG A 62 -15.320 2.553 -1.926 1.00 0.00 C ATOM 1027 O ARG A 62 -16.288 3.143 -1.440 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.753 1.403 -3.642 1.00 0.00 C ATOM 1029 CG ARG A 62 -17.020 0.112 -2.885 1.00 0.00 C ATOM 1030 CD ARG A 62 -16.858 -1.105 -3.783 1.00 0.00 C ATOM 1031 NE ARG A 62 -17.787 -2.176 -3.433 1.00 0.00 N ATOM 1032 CZ ARG A 62 -17.615 -3.007 -2.402 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -16.552 -2.891 -1.609 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -18.511 -3.958 -2.163 1.00 0.00 N ATOM 0 H ARG A 62 -14.599 0.072 -3.476 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.221 2.855 -4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -17.524 2.129 -3.384 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.842 1.210 -4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.335 0.036 -2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.030 0.131 -2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.018 -0.813 -4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -15.835 -1.475 -3.710 1.00 0.00 H new ATOM 0 HE ARG A 62 -18.618 -2.297 -4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -15.860 -2.163 -1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.429 -3.530 -0.824 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.328 -4.052 -2.766 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.382 -4.594 -1.376 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.181 2.347 -1.251 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.003 2.809 0.124 1.00 0.00 C ATOM 1050 C ASP A 63 -12.559 2.612 0.582 1.00 0.00 C ATOM 1051 O ASP A 63 -11.810 1.835 -0.015 1.00 0.00 O ATOM 1052 CB ASP A 63 -14.956 2.064 1.071 1.00 0.00 C ATOM 1053 CG ASP A 63 -15.414 2.912 2.248 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -14.751 3.926 2.555 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -16.439 2.557 2.864 1.00 0.00 O ATOM 0 H ASP A 63 -13.371 1.863 -1.639 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.235 3.874 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -15.829 1.731 0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.459 1.170 1.447 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.176 3.310 1.649 1.00 0.00 N ATOM 1061 CA ALA A 64 -10.825 3.197 2.190 1.00 0.00 C ATOM 1062 C ALA A 64 -10.664 1.904 2.989 1.00 0.00 C ATOM 1063 O ALA A 64 -9.564 1.364 3.088 1.00 0.00 O ATOM 1064 CB ALA A 64 -10.491 4.400 3.059 1.00 0.00 C ATOM 0 H ALA A 64 -12.781 3.958 2.154 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.129 3.171 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.480 4.295 3.452 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.556 5.310 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.198 4.458 3.887 1.00 0.00 H new ATOM 1070 N GLN A 65 -11.770 1.413 3.558 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.746 0.182 4.347 1.00 0.00 C ATOM 1072 C GLN A 65 -11.212 -0.994 3.528 1.00 0.00 C ATOM 1073 O GLN A 65 -10.451 -1.818 4.039 1.00 0.00 O ATOM 1074 CB GLN A 65 -13.147 -0.150 4.870 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.304 0.073 6.364 1.00 0.00 C ATOM 1076 CD GLN A 65 -14.353 1.118 6.694 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -15.329 1.288 5.963 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -14.156 1.826 7.800 1.00 0.00 N ATOM 0 H GLN A 65 -12.689 1.849 3.486 1.00 0.00 H new ATOM 0 HA GLN A 65 -11.077 0.348 5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.878 0.461 4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -13.375 -1.191 4.640 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.573 -0.869 6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.346 0.381 6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.333 1.652 8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.828 2.544 8.073 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.610 -1.065 2.257 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.165 -2.139 1.370 1.00 0.00 C ATOM 1089 C GLU A 66 -9.706 -1.941 0.966 1.00 0.00 C ATOM 1090 O GLU A 66 -8.926 -2.893 0.936 1.00 0.00 O ATOM 1091 CB GLU A 66 -12.043 -2.195 0.117 1.00 0.00 C ATOM 1092 CG GLU A 66 -12.587 -3.582 -0.184 1.00 0.00 C ATOM 1093 CD GLU A 66 -12.595 -3.892 -1.669 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -11.508 -4.145 -2.228 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -13.688 -3.880 -2.272 1.00 0.00 O ATOM 0 H GLU A 66 -12.239 -0.392 1.820 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.254 -3.081 1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.878 -1.505 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.463 -1.848 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.984 -4.326 0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.601 -3.664 0.207 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.344 -0.695 0.664 1.00 0.00 N ATOM 1103 CA PHE A 67 -7.977 -0.364 0.269 1.00 0.00 C ATOM 1104 C PHE A 67 -7.008 -0.615 1.423 1.00 0.00 C ATOM 1105 O PHE A 67 -5.964 -1.242 1.242 1.00 0.00 O ATOM 1106 CB PHE A 67 -7.893 1.100 -0.177 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.550 1.493 -0.733 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -5.495 1.804 0.113 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -6.345 1.556 -2.102 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -4.264 2.169 -0.397 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -5.116 1.922 -2.617 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.075 2.228 -1.764 1.00 0.00 C ATOM 0 H PHE A 67 -9.980 0.102 0.686 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.697 -1.006 -0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -8.656 1.283 -0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.125 1.742 0.673 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.638 1.760 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -7.155 1.316 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.451 2.408 0.272 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.970 1.969 -3.686 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.114 2.513 -2.165 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.367 -0.120 2.609 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.538 -0.286 3.800 1.00 0.00 C ATOM 1124 C ALA A 68 -6.303 -1.763 4.110 1.00 0.00 C ATOM 1125 O ALA A 68 -5.172 -2.175 4.370 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.174 0.408 4.997 1.00 0.00 C ATOM 0 H ALA A 68 -8.230 0.400 2.768 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.572 0.176 3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.541 0.273 5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.280 1.472 4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.156 -0.024 5.188 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.377 -2.558 4.077 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.279 -3.993 4.351 1.00 0.00 C ATOM 1134 C ALA A 69 -6.343 -4.678 3.360 1.00 0.00 C ATOM 1135 O ALA A 69 -5.607 -5.597 3.725 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.652 -4.650 4.311 1.00 0.00 C ATOM 0 H ALA A 69 -8.320 -2.233 3.864 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.867 -4.109 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.552 -5.716 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.296 -4.194 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.093 -4.512 3.324 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.372 -4.220 2.107 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.521 -4.785 1.064 1.00 0.00 C ATOM 1144 C ASP A 70 -4.049 -4.558 1.397 1.00 0.00 C ATOM 1145 O ASP A 70 -3.216 -5.447 1.212 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.851 -4.153 -0.293 1.00 0.00 C ATOM 1147 CG ASP A 70 -6.779 -5.016 -1.128 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -8.009 -4.919 -0.940 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -6.275 -5.786 -1.972 1.00 0.00 O ATOM 0 H ASP A 70 -6.976 -3.460 1.792 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.709 -5.857 1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.313 -3.179 -0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.926 -3.981 -0.844 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.737 -3.367 1.906 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.367 -3.030 2.278 1.00 0.00 C ATOM 1156 C VAL A 71 -1.875 -3.922 3.421 1.00 0.00 C ATOM 1157 O VAL A 71 -0.745 -4.414 3.389 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.233 -1.549 2.696 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -0.769 -1.181 2.880 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -2.898 -0.629 1.677 1.00 0.00 C ATOM 0 H VAL A 71 -4.414 -2.622 2.069 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.751 -3.198 1.394 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.746 -1.417 3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.691 -0.134 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.330 -1.810 3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.235 -1.335 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.788 0.407 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.424 -0.761 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.957 -0.875 1.601 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.728 -4.125 4.430 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.375 -4.956 5.585 1.00 0.00 C ATOM 1172 C ARG A 72 -1.975 -6.369 5.156 1.00 0.00 C ATOM 1173 O ARG A 72 -1.010 -6.928 5.678 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.541 -5.023 6.581 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.142 -4.690 8.014 1.00 0.00 C ATOM 1176 CD ARG A 72 -3.387 -5.862 8.957 1.00 0.00 C ATOM 1177 NE ARG A 72 -3.405 -5.448 10.362 1.00 0.00 N ATOM 1178 CZ ARG A 72 -4.396 -4.749 10.926 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -5.456 -4.383 10.209 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -4.327 -4.416 12.210 1.00 0.00 N ATOM 0 H ARG A 72 -3.666 -3.726 4.470 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.517 -4.491 6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.321 -4.333 6.261 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.971 -6.024 6.556 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.088 -4.414 8.043 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.707 -3.823 8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.337 -6.335 8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.610 -6.612 8.811 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.612 -5.709 10.947 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.516 -4.636 9.223 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.208 -3.850 10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.518 -4.693 12.766 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.083 -3.883 12.640 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.716 -6.939 4.201 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.425 -8.286 3.703 1.00 0.00 C ATOM 1196 C LEU A 73 -1.041 -8.336 3.061 1.00 0.00 C ATOM 1197 O LEU A 73 -0.273 -9.271 3.290 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.490 -8.727 2.692 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.342 -10.161 2.164 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -3.630 -11.173 3.265 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -4.263 -10.388 0.972 1.00 0.00 C ATOM 0 H LEU A 73 -3.518 -6.491 3.759 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.440 -8.972 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.471 -8.628 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.468 -8.042 1.845 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.312 -10.300 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.519 -12.183 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.929 -11.026 4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.648 -11.035 3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.145 -11.410 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.297 -10.228 1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.006 -9.689 0.176 1.00 0.00 H new ATOM 1213 N MET A 74 -0.729 -7.316 2.261 1.00 0.00 N ATOM 1214 CA MET A 74 0.564 -7.230 1.586 1.00 0.00 C ATOM 1215 C MET A 74 1.706 -7.170 2.600 1.00 0.00 C ATOM 1216 O MET A 74 2.750 -7.795 2.408 1.00 0.00 O ATOM 1217 CB MET A 74 0.608 -5.995 0.682 1.00 0.00 C ATOM 1218 CG MET A 74 1.365 -6.213 -0.618 1.00 0.00 C ATOM 1219 SD MET A 74 0.695 -5.241 -1.981 1.00 0.00 S ATOM 1220 CE MET A 74 0.845 -3.583 -1.323 1.00 0.00 C ATOM 0 H MET A 74 -1.357 -6.536 2.065 1.00 0.00 H new ATOM 0 HA MET A 74 0.688 -8.126 0.977 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.412 -5.689 0.451 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.071 -5.173 1.228 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.413 -5.953 -0.472 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.333 -7.270 -0.880 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.503 -2.864 -2.067 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.236 -3.492 -0.424 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.888 -3.382 -1.077 1.00 0.00 H new ATOM 1230 N PHE A 75 1.499 -6.412 3.678 1.00 0.00 N ATOM 1231 CA PHE A 75 2.510 -6.268 4.724 1.00 0.00 C ATOM 1232 C PHE A 75 2.673 -7.568 5.509 1.00 0.00 C ATOM 1233 O PHE A 75 3.794 -8.006 5.770 1.00 0.00 O ATOM 1234 CB PHE A 75 2.140 -5.128 5.679 1.00 0.00 C ATOM 1235 CG PHE A 75 2.455 -3.758 5.142 1.00 0.00 C ATOM 1236 CD1 PHE A 75 2.117 -3.409 3.843 1.00 0.00 C ATOM 1237 CD2 PHE A 75 3.090 -2.818 5.938 1.00 0.00 C ATOM 1238 CE1 PHE A 75 2.407 -2.153 3.350 1.00 0.00 C ATOM 1239 CE2 PHE A 75 3.383 -1.559 5.449 1.00 0.00 C ATOM 1240 CZ PHE A 75 3.041 -1.227 4.153 1.00 0.00 C ATOM 0 H PHE A 75 0.640 -5.889 3.849 1.00 0.00 H new ATOM 0 HA PHE A 75 3.458 -6.032 4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.074 -5.184 5.901 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.670 -5.269 6.621 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.621 -4.129 3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.359 -3.072 6.953 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.138 -1.895 2.336 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.879 -0.836 6.080 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.269 -0.244 3.768 1.00 0.00 H new ATOM 1250 N SER A 76 1.548 -8.184 5.881 1.00 0.00 N ATOM 1251 CA SER A 76 1.573 -9.438 6.635 1.00 0.00 C ATOM 1252 C SER A 76 2.164 -10.573 5.798 1.00 0.00 C ATOM 1253 O SER A 76 2.814 -11.470 6.335 1.00 0.00 O ATOM 1254 CB SER A 76 0.165 -9.819 7.108 1.00 0.00 C ATOM 1255 OG SER A 76 -0.781 -9.719 6.056 1.00 0.00 O ATOM 0 H SER A 76 0.612 -7.836 5.673 1.00 0.00 H new ATOM 0 HA SER A 76 2.208 -9.283 7.507 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.173 -10.838 7.496 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.133 -9.168 7.930 1.00 0.00 H new ATOM 0 HG SER A 76 -0.311 -9.657 5.198 1.00 0.00 H new ATOM 1261 N ASN A 77 1.938 -10.528 4.483 1.00 0.00 N ATOM 1262 CA ASN A 77 2.456 -11.555 3.581 1.00 0.00 C ATOM 1263 C ASN A 77 3.982 -11.539 3.560 1.00 0.00 C ATOM 1264 O ASN A 77 4.621 -12.585 3.670 1.00 0.00 O ATOM 1265 CB ASN A 77 1.918 -11.351 2.160 1.00 0.00 C ATOM 1266 CG ASN A 77 0.574 -12.024 1.942 1.00 0.00 C ATOM 1267 OD1 ASN A 77 0.158 -12.877 2.726 1.00 0.00 O ATOM 1268 ND2 ASN A 77 -0.114 -11.644 0.870 1.00 0.00 N ATOM 0 H ASN A 77 1.401 -9.793 4.022 1.00 0.00 H new ATOM 0 HA ASN A 77 2.119 -12.523 3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.822 -10.284 1.962 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.638 -11.745 1.443 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.023 -12.063 0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.267 -10.933 0.245 1.00 0.00 H new ATOM 1275 N CYS A 78 4.559 -10.346 3.419 1.00 0.00 N ATOM 1276 CA CYS A 78 6.012 -10.196 3.384 1.00 0.00 C ATOM 1277 C CYS A 78 6.632 -10.543 4.737 1.00 0.00 C ATOM 1278 O CYS A 78 7.649 -11.231 4.800 1.00 0.00 O ATOM 1279 CB CYS A 78 6.396 -8.768 2.984 1.00 0.00 C ATOM 1280 SG CYS A 78 7.060 -8.626 1.308 1.00 0.00 S ATOM 0 H CYS A 78 4.043 -9.471 3.327 1.00 0.00 H new ATOM 0 HA CYS A 78 6.401 -10.889 2.638 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.517 -8.129 3.071 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.136 -8.391 3.690 1.00 0.00 H new ATOM 0 HG CYS A 78 7.732 -7.518 1.200 1.00 0.00 H new ATOM 1286 N TYR A 79 6.012 -10.066 5.817 1.00 0.00 N ATOM 1287 CA TYR A 79 6.509 -10.334 7.165 1.00 0.00 C ATOM 1288 C TYR A 79 6.459 -11.831 7.480 1.00 0.00 C ATOM 1289 O TYR A 79 7.394 -12.379 8.064 1.00 0.00 O ATOM 1290 CB TYR A 79 5.698 -9.549 8.201 1.00 0.00 C ATOM 1291 CG TYR A 79 6.469 -8.420 8.854 1.00 0.00 C ATOM 1292 CD1 TYR A 79 6.531 -7.162 8.265 1.00 0.00 C ATOM 1293 CD2 TYR A 79 7.128 -8.612 10.062 1.00 0.00 C ATOM 1294 CE1 TYR A 79 7.230 -6.129 8.863 1.00 0.00 C ATOM 1295 CE2 TYR A 79 7.825 -7.583 10.666 1.00 0.00 C ATOM 1296 CZ TYR A 79 7.874 -6.345 10.064 1.00 0.00 C ATOM 1297 OH TYR A 79 8.567 -5.317 10.664 1.00 0.00 O ATOM 0 H TYR A 79 5.168 -9.494 5.784 1.00 0.00 H new ATOM 0 HA TYR A 79 7.548 -10.009 7.211 1.00 0.00 H new ATOM 0 HB2 TYR A 79 4.810 -9.139 7.719 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.353 -10.235 8.974 1.00 0.00 H new ATOM 0 HD1 TYR A 79 6.026 -6.989 7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.095 -9.581 10.537 1.00 0.00 H new ATOM 0 HE1 TYR A 79 7.271 -5.158 8.392 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.329 -7.749 11.606 1.00 0.00 H new ATOM 0 HH TYR A 79 8.961 -5.634 11.503 1.00 0.00 H new ATOM 1307 N LYS A 80 5.366 -12.487 7.086 1.00 0.00 N ATOM 1308 CA LYS A 80 5.203 -13.921 7.324 1.00 0.00 C ATOM 1309 C LYS A 80 6.136 -14.744 6.432 1.00 0.00 C ATOM 1310 O LYS A 80 6.577 -15.827 6.821 1.00 0.00 O ATOM 1311 CB LYS A 80 3.751 -14.349 7.080 1.00 0.00 C ATOM 1312 CG LYS A 80 2.832 -14.116 8.271 1.00 0.00 C ATOM 1313 CD LYS A 80 1.555 -14.939 8.163 1.00 0.00 C ATOM 1314 CE LYS A 80 0.491 -14.222 7.343 1.00 0.00 C ATOM 1315 NZ LYS A 80 -0.237 -13.198 8.145 1.00 0.00 N ATOM 0 H LYS A 80 4.583 -12.049 6.602 1.00 0.00 H new ATOM 0 HA LYS A 80 5.463 -14.109 8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.361 -13.804 6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.733 -15.408 6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.356 -14.375 9.191 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.579 -13.058 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.780 -15.902 7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.168 -15.144 9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.958 -13.743 6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.220 -14.951 6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.842 -12.631 7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.826 -13.671 8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.449 -12.576 8.619 1.00 0.00 H new ATOM 1329 N TYR A 81 6.426 -14.233 5.234 1.00 0.00 N ATOM 1330 CA TYR A 81 7.298 -14.934 4.293 1.00 0.00 C ATOM 1331 C TYR A 81 8.775 -14.692 4.612 1.00 0.00 C ATOM 1332 O TYR A 81 9.519 -15.637 4.874 1.00 0.00 O ATOM 1333 CB TYR A 81 6.992 -14.501 2.856 1.00 0.00 C ATOM 1334 CG TYR A 81 7.280 -15.572 1.825 1.00 0.00 C ATOM 1335 CD1 TYR A 81 6.437 -16.667 1.678 1.00 0.00 C ATOM 1336 CD2 TYR A 81 8.396 -15.489 1.002 1.00 0.00 C ATOM 1337 CE1 TYR A 81 6.698 -17.647 0.739 1.00 0.00 C ATOM 1338 CE2 TYR A 81 8.664 -16.465 0.062 1.00 0.00 C ATOM 1339 CZ TYR A 81 7.814 -17.542 -0.066 1.00 0.00 C ATOM 1340 OH TYR A 81 8.079 -18.517 -1.000 1.00 0.00 O ATOM 0 H TYR A 81 6.071 -13.339 4.894 1.00 0.00 H new ATOM 0 HA TYR A 81 7.102 -16.002 4.393 1.00 0.00 H new ATOM 0 HB2 TYR A 81 5.942 -14.215 2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.580 -13.614 2.620 1.00 0.00 H new ATOM 0 HD1 TYR A 81 5.564 -16.754 2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.065 -14.647 1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.032 -18.491 0.636 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.536 -16.384 -0.570 1.00 0.00 H new ATOM 0 HH TYR A 81 8.901 -18.291 -1.484 1.00 0.00 H new ATOM 1350 N ASN A 82 9.195 -13.426 4.587 1.00 0.00 N ATOM 1351 CA ASN A 82 10.585 -13.072 4.874 1.00 0.00 C ATOM 1352 C ASN A 82 10.716 -12.469 6.273 1.00 0.00 C ATOM 1353 O ASN A 82 10.290 -11.335 6.509 1.00 0.00 O ATOM 1354 CB ASN A 82 11.114 -12.087 3.826 1.00 0.00 C ATOM 1355 CG ASN A 82 11.813 -12.786 2.675 1.00 0.00 C ATOM 1356 OD1 ASN A 82 13.035 -12.934 2.675 1.00 0.00 O ATOM 1357 ND2 ASN A 82 11.041 -13.219 1.684 1.00 0.00 N ATOM 0 H ASN A 82 8.594 -12.631 4.371 1.00 0.00 H new ATOM 0 HA ASN A 82 11.181 -13.984 4.834 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.286 -11.494 3.438 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.808 -11.393 4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.457 -13.695 0.884 1.00 0.00 H new ATOM 0 HD22 ASN A 82 10.032 -13.076 1.724 1.00 0.00 H new ATOM 1364 N PRO A 83 11.310 -13.222 7.224 1.00 0.00 N ATOM 1365 CA PRO A 83 11.497 -12.757 8.607 1.00 0.00 C ATOM 1366 C PRO A 83 12.298 -11.458 8.681 1.00 0.00 C ATOM 1367 O PRO A 83 13.142 -11.191 7.822 1.00 0.00 O ATOM 1368 CB PRO A 83 12.277 -13.896 9.274 1.00 0.00 C ATOM 1369 CG PRO A 83 12.005 -15.094 8.431 1.00 0.00 C ATOM 1370 CD PRO A 83 11.846 -14.583 7.027 1.00 0.00 C ATOM 0 HA PRO A 83 10.544 -12.537 9.088 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.344 -13.674 9.313 1.00 0.00 H new ATOM 0 HB3 PRO A 83 11.946 -14.052 10.301 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.824 -15.811 8.495 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.104 -15.609 8.764 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.796 -14.568 6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.164 -15.205 6.447 1.00 0.00 H new ATOM 1378 N PRO A 84 12.045 -10.628 9.714 1.00 0.00 N ATOM 1379 CA PRO A 84 12.747 -9.354 9.892 1.00 0.00 C ATOM 1380 C PRO A 84 14.244 -9.535 10.104 1.00 0.00 C ATOM 1381 O PRO A 84 14.682 -10.100 11.108 1.00 0.00 O ATOM 1382 CB PRO A 84 12.101 -8.738 11.134 1.00 0.00 C ATOM 1383 CG PRO A 84 11.441 -9.873 11.841 1.00 0.00 C ATOM 1384 CD PRO A 84 11.056 -10.866 10.780 1.00 0.00 C ATOM 0 HA PRO A 84 12.660 -8.728 9.004 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.847 -8.260 11.769 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.377 -7.971 10.861 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.117 -10.324 12.568 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.564 -9.531 12.390 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.104 -11.890 11.151 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.038 -10.702 10.427 1.00 0.00 H new ATOM 1392 N ASP A 85 15.015 -9.047 9.143 1.00 0.00 N ATOM 1393 CA ASP A 85 16.472 -9.136 9.189 1.00 0.00 C ATOM 1394 C ASP A 85 17.102 -8.164 8.194 1.00 0.00 C ATOM 1395 O ASP A 85 17.988 -7.385 8.548 1.00 0.00 O ATOM 1396 CB ASP A 85 16.928 -10.567 8.886 1.00 0.00 C ATOM 1397 CG ASP A 85 18.430 -10.740 9.016 1.00 0.00 C ATOM 1398 OD1 ASP A 85 18.950 -10.598 10.142 1.00 0.00 O ATOM 1399 OD2 ASP A 85 19.086 -11.017 7.990 1.00 0.00 O ATOM 0 H ASP A 85 14.653 -8.580 8.312 1.00 0.00 H new ATOM 0 HA ASP A 85 16.800 -8.866 10.193 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.426 -11.256 9.566 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.621 -10.836 7.875 1.00 0.00 H new ATOM 1404 N HIS A 86 16.632 -8.215 6.947 1.00 0.00 N ATOM 1405 CA HIS A 86 17.141 -7.339 5.895 1.00 0.00 C ATOM 1406 C HIS A 86 16.405 -6.001 5.891 1.00 0.00 C ATOM 1407 O HIS A 86 15.437 -5.808 6.631 1.00 0.00 O ATOM 1408 CB HIS A 86 16.982 -7.997 4.522 1.00 0.00 C ATOM 1409 CG HIS A 86 17.772 -9.256 4.335 1.00 0.00 C ATOM 1410 ND1 HIS A 86 18.618 -9.779 5.291 1.00 0.00 N ATOM 1411 CD2 HIS A 86 17.836 -10.098 3.278 1.00 0.00 C ATOM 1412 CE1 HIS A 86 19.166 -10.889 4.829 1.00 0.00 C ATOM 1413 NE2 HIS A 86 18.708 -11.104 3.610 1.00 0.00 N ATOM 0 H HIS A 86 15.899 -8.855 6.642 1.00 0.00 H new ATOM 0 HA HIS A 86 18.198 -7.165 6.098 1.00 0.00 H new ATOM 0 HB2 HIS A 86 15.927 -8.219 4.361 1.00 0.00 H new ATOM 0 HB3 HIS A 86 17.278 -7.281 3.755 1.00 0.00 H new ATOM 0 HD2 HIS A 86 17.300 -9.997 2.346 1.00 0.00 H new ATOM 0 HE1 HIS A 86 19.869 -11.514 5.359 1.00 0.00 H new ATOM 0 HE2 HIS A 86 18.961 -11.890 3.012 1.00 0.00 H new ATOM 1422 N ASP A 87 16.864 -5.088 5.036 1.00 0.00 N ATOM 1423 CA ASP A 87 16.249 -3.769 4.911 1.00 0.00 C ATOM 1424 C ASP A 87 14.846 -3.868 4.310 1.00 0.00 C ATOM 1425 O ASP A 87 13.974 -3.057 4.625 1.00 0.00 O ATOM 1426 CB ASP A 87 17.118 -2.855 4.043 1.00 0.00 C ATOM 1427 CG ASP A 87 16.734 -1.390 4.168 1.00 0.00 C ATOM 1428 OD1 ASP A 87 16.289 -0.980 5.261 1.00 0.00 O ATOM 1429 OD2 ASP A 87 16.881 -0.654 3.170 1.00 0.00 O ATOM 0 H ASP A 87 17.662 -5.239 4.419 1.00 0.00 H new ATOM 0 HA ASP A 87 16.167 -3.345 5.912 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.163 -2.978 4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 87 17.032 -3.161 3.000 1.00 0.00 H new ATOM 1434 N VAL A 88 14.635 -4.862 3.442 1.00 0.00 N ATOM 1435 CA VAL A 88 13.338 -5.059 2.797 1.00 0.00 C ATOM 1436 C VAL A 88 12.209 -5.170 3.831 1.00 0.00 C ATOM 1437 O VAL A 88 11.161 -4.540 3.682 1.00 0.00 O ATOM 1438 CB VAL A 88 13.342 -6.309 1.882 1.00 0.00 C ATOM 1439 CG1 VAL A 88 13.559 -7.584 2.687 1.00 0.00 C ATOM 1440 CG2 VAL A 88 12.052 -6.389 1.078 1.00 0.00 C ATOM 0 H VAL A 88 15.346 -5.541 3.171 1.00 0.00 H new ATOM 0 HA VAL A 88 13.156 -4.180 2.178 1.00 0.00 H new ATOM 0 HB VAL A 88 14.175 -6.212 1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.557 -8.443 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.517 -7.530 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.758 -7.693 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.074 -7.274 0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.203 -6.453 1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.954 -5.498 0.458 1.00 0.00 H new ATOM 1450 N VAL A 89 12.432 -5.963 4.880 1.00 0.00 N ATOM 1451 CA VAL A 89 11.435 -6.136 5.936 1.00 0.00 C ATOM 1452 C VAL A 89 11.236 -4.837 6.720 1.00 0.00 C ATOM 1453 O VAL A 89 10.103 -4.413 6.955 1.00 0.00 O ATOM 1454 CB VAL A 89 11.821 -7.267 6.914 1.00 0.00 C ATOM 1455 CG1 VAL A 89 10.675 -7.558 7.872 1.00 0.00 C ATOM 1456 CG2 VAL A 89 12.221 -8.527 6.154 1.00 0.00 C ATOM 0 H VAL A 89 13.292 -6.494 5.020 1.00 0.00 H new ATOM 0 HA VAL A 89 10.502 -6.409 5.443 1.00 0.00 H new ATOM 0 HB VAL A 89 12.681 -6.936 7.497 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.965 -8.358 8.554 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.442 -6.660 8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.796 -7.865 7.305 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.489 -9.310 6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.385 -8.863 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.076 -8.310 5.514 1.00 0.00 H new ATOM 1466 N ALA A 90 12.346 -4.208 7.117 1.00 0.00 N ATOM 1467 CA ALA A 90 12.295 -2.954 7.868 1.00 0.00 C ATOM 1468 C ALA A 90 11.586 -1.862 7.070 1.00 0.00 C ATOM 1469 O ALA A 90 10.921 -0.998 7.643 1.00 0.00 O ATOM 1470 CB ALA A 90 13.697 -2.499 8.247 1.00 0.00 C ATOM 0 H ALA A 90 13.289 -4.548 6.930 1.00 0.00 H new ATOM 0 HA ALA A 90 11.725 -3.135 8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.638 -1.565 8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.172 -3.261 8.865 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.286 -2.345 7.343 1.00 0.00 H new ATOM 1476 N MET A 91 11.728 -1.911 5.744 1.00 0.00 N ATOM 1477 CA MET A 91 11.096 -0.928 4.869 1.00 0.00 C ATOM 1478 C MET A 91 9.578 -0.959 5.033 1.00 0.00 C ATOM 1479 O MET A 91 8.929 0.086 5.069 1.00 0.00 O ATOM 1480 CB MET A 91 11.471 -1.191 3.406 1.00 0.00 C ATOM 1481 CG MET A 91 12.556 -0.264 2.882 1.00 0.00 C ATOM 1482 SD MET A 91 13.906 -1.153 2.082 1.00 0.00 S ATOM 1483 CE MET A 91 13.088 -1.752 0.608 1.00 0.00 C ATOM 0 H MET A 91 12.274 -2.620 5.256 1.00 0.00 H new ATOM 0 HA MET A 91 11.458 0.061 5.152 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.806 -2.223 3.305 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.581 -1.083 2.786 1.00 0.00 H new ATOM 0 HG2 MET A 91 12.117 0.437 2.172 1.00 0.00 H new ATOM 0 HG3 MET A 91 12.954 0.326 3.708 1.00 0.00 H new ATOM 0 HE1 MET A 91 13.577 -2.664 0.265 1.00 0.00 H new ATOM 0 HE2 MET A 91 12.043 -1.963 0.833 1.00 0.00 H new ATOM 0 HE3 MET A 91 13.145 -0.994 -0.173 1.00 0.00 H new ATOM 1493 N ALA A 92 9.022 -2.166 5.146 1.00 0.00 N ATOM 1494 CA ALA A 92 7.583 -2.335 5.323 1.00 0.00 C ATOM 1495 C ALA A 92 7.121 -1.723 6.645 1.00 0.00 C ATOM 1496 O ALA A 92 6.087 -1.057 6.701 1.00 0.00 O ATOM 1497 CB ALA A 92 7.216 -3.812 5.262 1.00 0.00 C ATOM 0 H ALA A 92 9.548 -3.039 5.118 1.00 0.00 H new ATOM 0 HA ALA A 92 7.074 -1.813 4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.140 -3.925 5.395 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.507 -4.219 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.738 -4.350 6.053 1.00 0.00 H new ATOM 1503 N ARG A 93 7.899 -1.947 7.706 1.00 0.00 N ATOM 1504 CA ARG A 93 7.570 -1.413 9.027 1.00 0.00 C ATOM 1505 C ARG A 93 7.518 0.115 9.008 1.00 0.00 C ATOM 1506 O ARG A 93 6.647 0.719 9.635 1.00 0.00 O ATOM 1507 CB ARG A 93 8.588 -1.886 10.067 1.00 0.00 C ATOM 1508 CG ARG A 93 8.217 -1.518 11.495 1.00 0.00 C ATOM 1509 CD ARG A 93 9.367 -1.780 12.455 1.00 0.00 C ATOM 1510 NE ARG A 93 8.939 -1.727 13.852 1.00 0.00 N ATOM 1511 CZ ARG A 93 8.230 -2.686 14.452 1.00 0.00 C ATOM 1512 NH1 ARG A 93 7.860 -3.776 13.782 1.00 0.00 N ATOM 1513 NH2 ARG A 93 7.886 -2.553 15.729 1.00 0.00 N ATOM 0 H ARG A 93 8.760 -2.494 7.675 1.00 0.00 H new ATOM 0 HA ARG A 93 6.583 -1.788 9.299 1.00 0.00 H new ATOM 0 HB2 ARG A 93 8.692 -2.969 9.995 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.562 -1.456 9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.937 -0.465 11.540 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.345 -2.093 11.805 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.798 -2.759 12.245 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.153 -1.043 12.289 1.00 0.00 H new ATOM 0 HE ARG A 93 9.198 -0.908 14.402 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.118 -3.884 12.801 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.318 -4.503 14.250 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.164 -1.720 16.248 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.344 -3.284 16.190 1.00 0.00 H new ATOM 1527 N LYS A 94 8.449 0.735 8.282 1.00 0.00 N ATOM 1528 CA LYS A 94 8.495 2.191 8.185 1.00 0.00 C ATOM 1529 C LYS A 94 7.256 2.723 7.463 1.00 0.00 C ATOM 1530 O LYS A 94 6.674 3.727 7.874 1.00 0.00 O ATOM 1531 CB LYS A 94 9.767 2.638 7.459 1.00 0.00 C ATOM 1532 CG LYS A 94 10.968 2.806 8.379 1.00 0.00 C ATOM 1533 CD LYS A 94 12.042 3.678 7.746 1.00 0.00 C ATOM 1534 CE LYS A 94 13.066 4.142 8.773 1.00 0.00 C ATOM 1535 NZ LYS A 94 14.449 3.716 8.415 1.00 0.00 N ATOM 0 H LYS A 94 9.177 0.253 7.755 1.00 0.00 H new ATOM 0 HA LYS A 94 8.508 2.601 9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.010 1.907 6.688 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.573 3.584 6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.646 3.251 9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.386 1.827 8.615 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.545 3.120 6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.577 4.545 7.277 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.031 5.228 8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.805 3.740 9.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.114 4.052 9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.490 2.678 8.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 14.709 4.120 7.493 1.00 0.00 H new ATOM 1549 N LEU A 95 6.851 2.037 6.391 1.00 0.00 N ATOM 1550 CA LEU A 95 5.673 2.437 5.620 1.00 0.00 C ATOM 1551 C LEU A 95 4.403 2.344 6.470 1.00 0.00 C ATOM 1552 O LEU A 95 3.496 3.166 6.332 1.00 0.00 O ATOM 1553 CB LEU A 95 5.526 1.564 4.368 1.00 0.00 C ATOM 1554 CG LEU A 95 5.704 2.299 3.036 1.00 0.00 C ATOM 1555 CD1 LEU A 95 5.536 1.335 1.870 1.00 0.00 C ATOM 1556 CD2 LEU A 95 4.715 3.450 2.923 1.00 0.00 C ATOM 0 H LEU A 95 7.321 1.203 6.038 1.00 0.00 H new ATOM 0 HA LEU A 95 5.811 3.474 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.257 0.757 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.539 1.102 4.381 1.00 0.00 H new ATOM 0 HG LEU A 95 6.713 2.710 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.666 1.873 0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.283 0.544 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.539 0.896 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.857 3.960 1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.698 3.062 2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.881 4.153 3.739 1.00 0.00 H new ATOM 1568 N GLN A 96 4.346 1.339 7.348 1.00 0.00 N ATOM 1569 CA GLN A 96 3.190 1.139 8.223 1.00 0.00 C ATOM 1570 C GLN A 96 2.964 2.357 9.117 1.00 0.00 C ATOM 1571 O GLN A 96 1.839 2.846 9.240 1.00 0.00 O ATOM 1572 CB GLN A 96 3.391 -0.111 9.089 1.00 0.00 C ATOM 1573 CG GLN A 96 2.205 -0.441 9.986 1.00 0.00 C ATOM 1574 CD GLN A 96 2.627 -0.946 11.355 1.00 0.00 C ATOM 1575 OE1 GLN A 96 3.681 -1.566 11.504 1.00 0.00 O ATOM 1576 NE2 GLN A 96 1.804 -0.686 12.365 1.00 0.00 N ATOM 0 H GLN A 96 5.089 0.651 7.471 1.00 0.00 H new ATOM 0 HA GLN A 96 2.310 1.003 7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.589 -0.963 8.439 1.00 0.00 H new ATOM 0 HB3 GLN A 96 4.276 0.029 9.710 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.587 0.449 10.106 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.586 -1.195 9.500 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.940 -0.169 12.199 1.00 0.00 H new ATOM 0 HE22 GLN A 96 2.036 -1.003 13.306 1.00 0.00 H new ATOM 1585 N ASP A 97 4.041 2.843 9.738 1.00 0.00 N ATOM 1586 CA ASP A 97 3.963 4.007 10.622 1.00 0.00 C ATOM 1587 C ASP A 97 3.422 5.226 9.878 1.00 0.00 C ATOM 1588 O ASP A 97 2.604 5.976 10.413 1.00 0.00 O ATOM 1589 CB ASP A 97 5.341 4.325 11.214 1.00 0.00 C ATOM 1590 CG ASP A 97 5.253 5.165 12.476 1.00 0.00 C ATOM 1591 OD1 ASP A 97 4.594 4.723 13.440 1.00 0.00 O ATOM 1592 OD2 ASP A 97 5.848 6.263 12.499 1.00 0.00 O ATOM 0 H ASP A 97 4.977 2.448 9.645 1.00 0.00 H new ATOM 0 HA ASP A 97 3.276 3.765 11.433 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.861 3.393 11.437 1.00 0.00 H new ATOM 0 HB3 ASP A 97 5.939 4.853 10.471 1.00 0.00 H new ATOM 1597 N VAL A 98 3.879 5.415 8.640 1.00 0.00 N ATOM 1598 CA VAL A 98 3.435 6.541 7.822 1.00 0.00 C ATOM 1599 C VAL A 98 1.975 6.370 7.403 1.00 0.00 C ATOM 1600 O VAL A 98 1.219 7.341 7.350 1.00 0.00 O ATOM 1601 CB VAL A 98 4.313 6.716 6.564 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.952 8.003 5.835 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.793 6.697 6.933 1.00 0.00 C ATOM 0 H VAL A 98 4.555 4.803 8.183 1.00 0.00 H new ATOM 0 HA VAL A 98 3.531 7.436 8.437 1.00 0.00 H new ATOM 0 HB VAL A 98 4.122 5.879 5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.581 8.109 4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.905 7.969 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.111 8.854 6.498 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.394 6.822 6.032 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.005 7.510 7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.038 5.745 7.404 1.00 0.00 H new ATOM 1613 N PHE A 99 1.581 5.127 7.117 1.00 0.00 N ATOM 1614 CA PHE A 99 0.207 4.829 6.718 1.00 0.00 C ATOM 1615 C PHE A 99 -0.766 5.203 7.835 1.00 0.00 C ATOM 1616 O PHE A 99 -1.853 5.719 7.574 1.00 0.00 O ATOM 1617 CB PHE A 99 0.061 3.344 6.367 1.00 0.00 C ATOM 1618 CG PHE A 99 -0.900 3.078 5.241 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -0.472 3.118 3.922 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -2.230 2.784 5.500 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -1.353 2.871 2.885 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -3.114 2.537 4.467 1.00 0.00 C ATOM 1623 CZ PHE A 99 -2.675 2.580 3.158 1.00 0.00 C ATOM 0 H PHE A 99 2.194 4.313 7.155 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.030 5.422 5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.040 2.946 6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.272 2.802 7.252 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.561 3.345 3.703 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.579 2.748 6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.007 2.906 1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.148 2.310 4.683 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.364 2.386 2.350 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.362 4.947 9.083 1.00 0.00 N ATOM 1634 CA GLU A 100 -1.196 5.268 10.239 1.00 0.00 C ATOM 1635 C GLU A 100 -1.427 6.774 10.343 1.00 0.00 C ATOM 1636 O GLU A 100 -2.523 7.217 10.690 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.558 4.749 11.531 1.00 0.00 C ATOM 1638 CG GLU A 100 -1.512 3.941 12.397 1.00 0.00 C ATOM 1639 CD GLU A 100 -0.826 3.308 13.593 1.00 0.00 C ATOM 1640 OE1 GLU A 100 -0.115 2.298 13.404 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -1.003 3.821 14.718 1.00 0.00 O ATOM 0 H GLU A 100 0.535 4.520 9.315 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.159 4.776 10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.303 4.130 11.278 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.185 5.595 12.108 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.316 4.589 12.746 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.972 3.160 11.792 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.391 7.558 10.033 1.00 0.00 N ATOM 1649 CA PHE A 101 -0.490 9.016 10.086 1.00 0.00 C ATOM 1650 C PHE A 101 -1.605 9.517 9.167 1.00 0.00 C ATOM 1651 O PHE A 101 -2.336 10.446 9.515 1.00 0.00 O ATOM 1652 CB PHE A 101 0.843 9.660 9.689 1.00 0.00 C ATOM 1653 CG PHE A 101 1.573 10.295 10.840 1.00 0.00 C ATOM 1654 CD1 PHE A 101 2.117 9.516 11.849 1.00 0.00 C ATOM 1655 CD2 PHE A 101 1.713 11.673 10.914 1.00 0.00 C ATOM 1656 CE1 PHE A 101 2.785 10.098 12.910 1.00 0.00 C ATOM 1657 CE2 PHE A 101 2.381 12.260 11.973 1.00 0.00 C ATOM 1658 CZ PHE A 101 2.917 11.471 12.972 1.00 0.00 C ATOM 0 H PHE A 101 0.522 7.208 9.744 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.728 9.301 11.111 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.483 8.902 9.238 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.658 10.416 8.926 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.018 8.441 11.806 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.296 12.295 10.136 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.203 9.479 13.690 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.483 13.334 12.019 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.439 11.927 13.800 1.00 0.00 H new ATOM 1668 N ARG A 102 -1.737 8.885 7.998 1.00 0.00 N ATOM 1669 CA ARG A 102 -2.773 9.260 7.037 1.00 0.00 C ATOM 1670 C ARG A 102 -4.157 8.837 7.534 1.00 0.00 C ATOM 1671 O ARG A 102 -5.153 9.501 7.249 1.00 0.00 O ATOM 1672 CB ARG A 102 -2.497 8.629 5.667 1.00 0.00 C ATOM 1673 CG ARG A 102 -1.892 9.593 4.656 1.00 0.00 C ATOM 1674 CD ARG A 102 -0.377 9.463 4.595 1.00 0.00 C ATOM 1675 NE ARG A 102 0.140 9.640 3.237 1.00 0.00 N ATOM 1676 CZ ARG A 102 1.416 9.912 2.953 1.00 0.00 C ATOM 1677 NH1 ARG A 102 2.315 10.037 3.927 1.00 0.00 N ATOM 1678 NH2 ARG A 102 1.797 10.058 1.690 1.00 0.00 N ATOM 0 H ARG A 102 -1.141 8.114 7.696 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.755 10.345 6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.822 7.783 5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.430 8.234 5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.314 9.399 3.670 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.160 10.616 4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.076 10.204 5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.083 8.482 4.969 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.515 9.550 2.460 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.031 9.925 4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 102 3.287 10.245 3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 102 1.115 9.962 0.937 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.772 10.266 1.472 1.00 0.00 H new ATOM 1692 N TYR A 103 -4.210 7.730 8.281 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.473 7.222 8.821 1.00 0.00 C ATOM 1694 C TYR A 103 -6.182 8.277 9.676 1.00 0.00 C ATOM 1695 O TYR A 103 -7.412 8.315 9.723 1.00 0.00 O ATOM 1696 CB TYR A 103 -5.234 5.957 9.650 1.00 0.00 C ATOM 1697 CG TYR A 103 -5.979 4.745 9.133 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -7.286 4.484 9.532 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -5.377 3.861 8.246 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -7.968 3.378 9.063 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -6.054 2.753 7.771 1.00 0.00 C ATOM 1702 CZ TYR A 103 -7.350 2.517 8.183 1.00 0.00 C ATOM 1703 OH TYR A 103 -8.028 1.415 7.713 1.00 0.00 O ATOM 0 H TYR A 103 -3.393 7.170 8.525 1.00 0.00 H new ATOM 0 HA TYR A 103 -6.116 6.980 7.975 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.166 5.738 9.664 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.535 6.146 10.681 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -7.776 5.157 10.220 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -4.363 4.042 7.922 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -8.981 3.189 9.385 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -5.572 2.076 7.082 1.00 0.00 H new ATOM 0 HH TYR A 103 -8.988 1.611 7.680 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.405 9.134 10.344 1.00 0.00 N ATOM 1714 CA ALA A 104 -5.971 10.190 11.185 1.00 0.00 C ATOM 1715 C ALA A 104 -6.703 11.230 10.338 1.00 0.00 C ATOM 1716 O ALA A 104 -7.782 11.695 10.707 1.00 0.00 O ATOM 1717 CB ALA A 104 -4.881 10.856 12.014 1.00 0.00 C ATOM 0 H ALA A 104 -4.385 9.117 10.319 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.692 9.731 11.861 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.321 11.638 12.633 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.405 10.113 12.653 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.136 11.295 11.350 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.109 11.585 9.197 1.00 0.00 N ATOM 1724 CA LYS A 105 -6.703 12.565 8.287 1.00 0.00 C ATOM 1725 C LYS A 105 -7.698 11.908 7.324 1.00 0.00 C ATOM 1726 O LYS A 105 -8.441 12.601 6.628 1.00 0.00 O ATOM 1727 CB LYS A 105 -5.611 13.284 7.490 1.00 0.00 C ATOM 1728 CG LYS A 105 -4.930 14.404 8.261 1.00 0.00 C ATOM 1729 CD LYS A 105 -3.645 14.850 7.582 1.00 0.00 C ATOM 1730 CE LYS A 105 -3.903 15.953 6.568 1.00 0.00 C ATOM 1731 NZ LYS A 105 -2.832 16.021 5.535 1.00 0.00 N ATOM 0 H LYS A 105 -5.216 11.207 8.881 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.245 13.290 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -4.859 12.557 7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.048 13.695 6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.609 15.252 8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.709 14.067 9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.939 15.203 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -3.181 13.998 7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.864 15.783 6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -3.971 16.911 7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.046 16.786 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.918 16.209 5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.783 15.116 5.025 1.00 0.00 H new ATOM 1745 N MET A 106 -7.708 10.572 7.283 1.00 0.00 N ATOM 1746 CA MET A 106 -8.612 9.834 6.402 1.00 0.00 C ATOM 1747 C MET A 106 -10.068 10.270 6.600 1.00 0.00 C ATOM 1748 O MET A 106 -10.722 10.698 5.647 1.00 0.00 O ATOM 1749 CB MET A 106 -8.480 8.325 6.639 1.00 0.00 C ATOM 1750 CG MET A 106 -8.415 7.511 5.357 1.00 0.00 C ATOM 1751 SD MET A 106 -8.653 5.746 5.641 1.00 0.00 S ATOM 1752 CE MET A 106 -10.361 5.714 6.180 1.00 0.00 C ATOM 0 H MET A 106 -7.100 9.982 7.850 1.00 0.00 H new ATOM 0 HA MET A 106 -8.327 10.060 5.374 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.581 8.135 7.226 1.00 0.00 H new ATOM 0 HB3 MET A 106 -9.327 7.984 7.234 1.00 0.00 H new ATOM 0 HG2 MET A 106 -9.177 7.869 4.665 1.00 0.00 H new ATOM 0 HG3 MET A 106 -7.449 7.671 4.878 1.00 0.00 H new ATOM 0 HE1 MET A 106 -10.747 4.698 6.105 1.00 0.00 H new ATOM 0 HE2 MET A 106 -10.422 6.050 7.215 1.00 0.00 H new ATOM 0 HE3 MET A 106 -10.954 6.375 5.548 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.597 10.171 7.840 1.00 0.00 N ATOM 1763 CA PRO A 107 -11.981 10.559 8.141 1.00 0.00 C ATOM 1764 C PRO A 107 -12.265 12.021 7.803 1.00 0.00 C ATOM 1765 O PRO A 107 -11.472 12.907 8.123 1.00 0.00 O ATOM 1766 CB PRO A 107 -12.112 10.326 9.653 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.714 10.247 10.163 1.00 0.00 C ATOM 1768 CD PRO A 107 -9.899 9.677 9.040 1.00 0.00 C ATOM 0 HA PRO A 107 -12.693 9.985 7.548 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.659 11.139 10.130 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -12.660 9.407 9.863 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.347 11.232 10.451 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.656 9.614 11.048 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.865 10.021 9.076 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.873 8.588 9.072 1.00 0.00 H new ATOM 1776 N ASP A 108 -13.405 12.262 7.156 1.00 0.00 N ATOM 1777 CA ASP A 108 -13.805 13.615 6.770 1.00 0.00 C ATOM 1778 C ASP A 108 -13.869 14.549 7.979 1.00 0.00 C ATOM 1779 O ASP A 108 -13.492 15.718 7.889 1.00 0.00 O ATOM 1780 CB ASP A 108 -15.167 13.581 6.074 1.00 0.00 C ATOM 1781 CG ASP A 108 -15.228 14.493 4.864 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -14.322 14.406 4.008 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -16.183 15.292 4.772 1.00 0.00 O ATOM 0 H ASP A 108 -14.069 11.536 6.888 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.051 14.000 6.084 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -15.387 12.559 5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -15.941 13.873 6.784 1.00 0.00 H new TER 1788 ASP A 108