USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 750 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 34 THR OG1 : rot 180:sc= -1.74! USER MOD Set 1.2: A 35 GLN : amide:sc= -13.1! C(o=-15!,f=-2.7!) USER MOD Set 2.1: A 23 HIS : no HD1:sc= -6.47! C(o=-13!,f=-24!) USER MOD Set 2.2: A 24 HIS : no HE2:sc= -6.69! C(o=-13!,f=-16!) USER MOD Single : A 6 MET CE :methyl -172:sc= 0 (180deg=-0.0877) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -92:sc= -1.01! USER MOD Single : A 14 CYS SG : rot -60:sc= -5.6 USER MOD Single : A 18 THR OG1 : rot 180:sc=-0.00102 USER MOD Single : A 25 THR OG1 : rot 140:sc= -2.26! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.1) USER MOD Single : A 32 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.126) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -12.4! C(o=-12!,f=-12!) USER MOD Single : A 48 ASN : amide:sc= -4.36 K(o=-4.4,f=-8.7!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.124 USER MOD Single : A 55 MET CE :methyl -166:sc= -18.2! (180deg=-18.9!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -71:sc= -5.27! USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= -0.0545 (180deg=-0.296) USER MOD Single : A 69 GLN : amide:sc= -4.54! C(o=-4.5!,f=-14!) USER MOD Single : A 77 MET CE :methyl -105:sc= -3.31 (180deg=-6.87!) USER MOD Single : A 80 CYS SG : rot 180:sc= -2.18 USER MOD Single : A 83 SER OG : rot 180:sc= 0.466 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -11.6! C(o=-12!,f=-18!) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 111 THR OG1 : rot 166:sc= 0.0494 USER MOD ----------------------------------------------------------------- ATOM 11 N LEU A 2 -8.858 -13.757 0.251 1.00 0.00 N ATOM 12 CA LEU A 2 -7.886 -12.793 -0.236 1.00 0.00 C ATOM 13 C LEU A 2 -6.516 -13.468 -0.341 1.00 0.00 C ATOM 14 O LEU A 2 -6.165 -14.301 0.491 1.00 0.00 O ATOM 15 CB LEU A 2 -7.888 -11.540 0.641 1.00 0.00 C ATOM 16 CG LEU A 2 -6.656 -10.639 0.527 1.00 0.00 C ATOM 17 CD1 LEU A 2 -7.030 -9.269 -0.041 1.00 0.00 C ATOM 18 CD2 LEU A 2 -5.935 -10.525 1.871 1.00 0.00 C ATOM 0 HA LEU A 2 -8.154 -12.453 -1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.770 -10.949 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.993 -11.849 1.681 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.959 -11.099 -0.174 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.137 -8.648 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.465 -9.393 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.755 -8.788 0.616 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.063 -9.880 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.612 -10.100 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.615 -11.515 2.197 1.00 0.00 H new ATOM 29 N GLY A 3 -5.780 -13.081 -1.373 1.00 0.00 N ATOM 30 CA GLY A 3 -4.457 -13.637 -1.599 1.00 0.00 C ATOM 31 C GLY A 3 -3.397 -12.872 -0.804 1.00 0.00 C ATOM 32 O GLY A 3 -3.709 -12.243 0.207 1.00 0.00 O ATOM 0 H GLY A 3 -6.075 -12.389 -2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -4.446 -14.688 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -4.219 -13.597 -2.662 1.00 0.00 H new ATOM 36 N ILE A 4 -2.168 -12.950 -1.290 1.00 0.00 N ATOM 37 CA ILE A 4 -1.060 -12.273 -0.637 1.00 0.00 C ATOM 38 C ILE A 4 0.236 -12.581 -1.389 1.00 0.00 C ATOM 39 O ILE A 4 0.498 -13.731 -1.735 1.00 0.00 O ATOM 40 CB ILE A 4 -1.011 -12.637 0.848 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.650 -11.417 1.700 1.00 0.00 C ATOM 42 CG2 ILE A 4 -0.060 -13.810 1.094 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.287 -10.476 0.939 1.00 0.00 C ATOM 0 H ILE A 4 -1.914 -13.472 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.200 -11.193 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.006 -12.960 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.558 -10.883 1.981 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.173 -11.743 2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.044 -14.048 2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.402 -14.679 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.944 -13.539 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.528 -9.618 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.204 -11.006 0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.203 -10.133 0.028 1.00 0.00 H new ATOM 54 N ASP A 5 1.012 -11.532 -1.620 1.00 0.00 N ATOM 55 CA ASP A 5 2.275 -11.677 -2.325 1.00 0.00 C ATOM 56 C ASP A 5 3.272 -10.644 -1.795 1.00 0.00 C ATOM 57 O ASP A 5 2.893 -9.517 -1.479 1.00 0.00 O ATOM 58 CB ASP A 5 2.098 -11.437 -3.826 1.00 0.00 C ATOM 59 CG ASP A 5 2.633 -12.552 -4.727 1.00 0.00 C ATOM 60 OD1 ASP A 5 3.851 -12.693 -4.913 1.00 0.00 O ATOM 61 OD2 ASP A 5 1.730 -13.306 -5.256 1.00 0.00 O ATOM 0 H ASP A 5 0.791 -10.579 -1.332 1.00 0.00 H new ATOM 0 HA ASP A 5 2.638 -12.692 -2.162 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.037 -11.300 -4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.598 -10.505 -4.091 1.00 0.00 H new ATOM 66 N MET A 6 4.524 -11.067 -1.713 1.00 0.00 N ATOM 67 CA MET A 6 5.578 -10.192 -1.227 1.00 0.00 C ATOM 68 C MET A 6 6.856 -10.363 -2.050 1.00 0.00 C ATOM 69 O MET A 6 7.229 -11.481 -2.399 1.00 0.00 O ATOM 70 CB MET A 6 5.869 -10.511 0.241 1.00 0.00 C ATOM 71 CG MET A 6 4.714 -10.064 1.139 1.00 0.00 C ATOM 72 SD MET A 6 4.819 -10.885 2.722 1.00 0.00 S ATOM 73 CE MET A 6 3.108 -10.806 3.225 1.00 0.00 C ATOM 0 H MET A 6 4.833 -12.003 -1.975 1.00 0.00 H new ATOM 0 HA MET A 6 5.242 -9.160 -1.324 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.032 -11.582 0.359 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.788 -10.013 0.550 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.747 -8.983 1.277 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.761 -10.295 0.662 1.00 0.00 H new ATOM 0 HE1 MET A 6 3.016 -11.147 4.256 1.00 0.00 H new ATOM 0 HE2 MET A 6 2.754 -9.778 3.149 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.508 -11.445 2.577 1.00 0.00 H new ATOM 81 N ASN A 7 7.492 -9.236 -2.337 1.00 0.00 N ATOM 82 CA ASN A 7 8.720 -9.247 -3.113 1.00 0.00 C ATOM 83 C ASN A 7 9.633 -8.118 -2.630 1.00 0.00 C ATOM 84 O ASN A 7 9.155 -7.068 -2.201 1.00 0.00 O ATOM 85 CB ASN A 7 8.435 -9.020 -4.599 1.00 0.00 C ATOM 86 CG ASN A 7 8.794 -10.260 -5.420 1.00 0.00 C ATOM 87 OD1 ASN A 7 7.981 -11.139 -5.654 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.054 -10.280 -5.846 1.00 0.00 N ATOM 0 H ASN A 7 7.180 -8.310 -2.046 1.00 0.00 H new ATOM 0 HA ASN A 7 9.193 -10.220 -2.981 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.381 -8.779 -4.739 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.007 -8.164 -4.956 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.391 -11.064 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.683 -9.511 -5.614 1.00 0.00 H new ATOM 94 N VAL A 8 10.931 -8.372 -2.715 1.00 0.00 N ATOM 95 CA VAL A 8 11.915 -7.390 -2.291 1.00 0.00 C ATOM 96 C VAL A 8 12.746 -6.954 -3.500 1.00 0.00 C ATOM 97 O VAL A 8 13.155 -7.785 -4.310 1.00 0.00 O ATOM 98 CB VAL A 8 12.767 -7.960 -1.154 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.172 -8.313 -1.646 1.00 0.00 C ATOM 100 CG2 VAL A 8 12.826 -6.988 0.025 1.00 0.00 C ATOM 0 H VAL A 8 11.324 -9.243 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 8 11.423 -6.501 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 8 12.294 -8.879 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.757 -8.716 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.103 -9.058 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.658 -7.417 -2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.437 -7.416 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.265 -6.045 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.818 -6.808 0.399 1.00 0.00 H new ATOM 110 N LYS A 9 12.971 -5.650 -3.584 1.00 0.00 N ATOM 111 CA LYS A 9 13.746 -5.094 -4.680 1.00 0.00 C ATOM 112 C LYS A 9 14.653 -3.985 -4.145 1.00 0.00 C ATOM 113 O LYS A 9 14.184 -2.895 -3.820 1.00 0.00 O ATOM 114 CB LYS A 9 12.822 -4.639 -5.812 1.00 0.00 C ATOM 115 CG LYS A 9 11.418 -5.224 -5.642 1.00 0.00 C ATOM 116 CD LYS A 9 10.673 -5.260 -6.979 1.00 0.00 C ATOM 117 CE LYS A 9 10.097 -3.886 -7.323 1.00 0.00 C ATOM 118 NZ LYS A 9 10.336 -3.565 -8.748 1.00 0.00 N ATOM 0 H LYS A 9 12.630 -4.963 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 9 14.394 -5.856 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.767 -3.550 -5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.236 -4.950 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.487 -6.232 -5.233 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.856 -4.627 -4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.352 -5.582 -7.769 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.869 -5.994 -6.931 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.027 -3.872 -7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.555 -3.125 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.938 -2.629 -8.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.359 -3.559 -8.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.879 -4.282 -9.347 1.00 0.00 H new ATOM 127 N GLU A 10 15.938 -4.301 -4.069 1.00 0.00 N ATOM 128 CA GLU A 10 16.917 -3.346 -3.579 1.00 0.00 C ATOM 129 C GLU A 10 16.636 -3.002 -2.115 1.00 0.00 C ATOM 130 O GLU A 10 17.550 -2.655 -1.369 1.00 0.00 O ATOM 131 CB GLU A 10 16.931 -2.084 -4.445 1.00 0.00 C ATOM 132 CG GLU A 10 17.606 -0.923 -3.711 1.00 0.00 C ATOM 133 CD GLU A 10 18.428 -0.068 -4.676 1.00 0.00 C ATOM 134 OE1 GLU A 10 17.867 0.536 -5.602 1.00 0.00 O ATOM 135 OE2 GLU A 10 19.696 -0.042 -4.438 1.00 0.00 O ATOM 0 H GLU A 10 16.324 -5.206 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 10 17.905 -3.802 -3.642 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.458 -2.285 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 10 15.910 -1.808 -4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.850 -0.306 -3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.252 -1.312 -2.924 1.00 0.00 H new ATOM 141 N SER A 11 15.368 -3.112 -1.746 1.00 0.00 N ATOM 142 CA SER A 11 14.956 -2.819 -0.385 1.00 0.00 C ATOM 143 C SER A 11 13.448 -2.567 -0.337 1.00 0.00 C ATOM 144 O SER A 11 12.877 -2.399 0.739 1.00 0.00 O ATOM 145 CB SER A 11 15.713 -1.611 0.171 1.00 0.00 C ATOM 146 OG SER A 11 16.351 -0.861 -0.859 1.00 0.00 O ATOM 0 H SER A 11 14.612 -3.400 -2.367 1.00 0.00 H new ATOM 0 HA SER A 11 15.194 -3.682 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.020 -0.967 0.713 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.460 -1.950 0.889 1.00 0.00 H new ATOM 0 HG SER A 11 17.268 -1.185 -0.979 1.00 0.00 H new ATOM 151 N VAL A 12 12.845 -2.549 -1.517 1.00 0.00 N ATOM 152 CA VAL A 12 11.414 -2.321 -1.624 1.00 0.00 C ATOM 153 C VAL A 12 10.677 -3.652 -1.466 1.00 0.00 C ATOM 154 O VAL A 12 10.946 -4.606 -2.196 1.00 0.00 O ATOM 155 CB VAL A 12 11.093 -1.613 -2.942 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.524 -2.462 -4.139 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.608 -1.258 -3.026 1.00 0.00 C ATOM 0 H VAL A 12 13.322 -2.689 -2.408 1.00 0.00 H new ATOM 0 HA VAL A 12 11.072 -1.663 -0.826 1.00 0.00 H new ATOM 0 HB VAL A 12 11.661 -0.683 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.285 -1.936 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.598 -2.640 -4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.997 -3.416 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.407 -0.756 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.012 -2.169 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.345 -0.596 -2.201 1.00 0.00 H new ATOM 167 N LEU A 13 9.762 -3.676 -0.508 1.00 0.00 N ATOM 168 CA LEU A 13 8.984 -4.875 -0.245 1.00 0.00 C ATOM 169 C LEU A 13 7.639 -4.774 -0.970 1.00 0.00 C ATOM 170 O LEU A 13 6.703 -4.158 -0.463 1.00 0.00 O ATOM 171 CB LEU A 13 8.856 -5.111 1.261 1.00 0.00 C ATOM 172 CG LEU A 13 9.507 -4.060 2.162 1.00 0.00 C ATOM 173 CD1 LEU A 13 8.491 -2.998 2.588 1.00 0.00 C ATOM 174 CD2 LEU A 13 10.188 -4.716 3.364 1.00 0.00 C ATOM 0 H LEU A 13 9.542 -2.884 0.096 1.00 0.00 H new ATOM 0 HA LEU A 13 9.493 -5.754 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.797 -5.169 1.511 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.292 -6.082 1.495 1.00 0.00 H new ATOM 0 HG LEU A 13 10.283 -3.552 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.980 -2.263 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.092 -2.501 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.677 -3.472 3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.643 -3.947 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.448 -5.266 3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.959 -5.403 3.015 1.00 0.00 H new ATOM 185 N CYS A 14 7.587 -5.388 -2.142 1.00 0.00 N ATOM 186 CA CYS A 14 6.373 -5.375 -2.940 1.00 0.00 C ATOM 187 C CYS A 14 5.345 -6.285 -2.265 1.00 0.00 C ATOM 188 O CYS A 14 5.677 -7.385 -1.828 1.00 0.00 O ATOM 189 CB CYS A 14 6.642 -5.794 -4.387 1.00 0.00 C ATOM 190 SG CYS A 14 8.351 -5.341 -4.861 1.00 0.00 S ATOM 0 H CYS A 14 8.366 -5.898 -2.559 1.00 0.00 H new ATOM 0 HA CYS A 14 5.980 -4.360 -2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.498 -6.869 -4.496 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.930 -5.308 -5.054 1.00 0.00 H new ATOM 0 HG CYS A 14 8.504 -4.054 -4.755 1.00 0.00 H new ATOM 195 N ILE A 15 4.117 -5.792 -2.202 1.00 0.00 N ATOM 196 CA ILE A 15 3.038 -6.547 -1.588 1.00 0.00 C ATOM 197 C ILE A 15 1.853 -6.612 -2.554 1.00 0.00 C ATOM 198 O ILE A 15 1.110 -5.643 -2.698 1.00 0.00 O ATOM 199 CB ILE A 15 2.684 -5.961 -0.220 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.483 -6.644 0.892 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.177 -6.028 0.032 1.00 0.00 C ATOM 202 CD1 ILE A 15 4.984 -6.412 0.710 1.00 0.00 C ATOM 0 H ILE A 15 3.845 -4.879 -2.566 1.00 0.00 H new ATOM 0 HA ILE A 15 3.352 -7.573 -1.398 1.00 0.00 H new ATOM 0 HB ILE A 15 2.964 -4.907 -0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.167 -6.259 1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.274 -7.714 0.891 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.953 -5.605 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.654 -5.460 -0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.849 -7.067 0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.529 -6.908 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.302 -6.820 -0.250 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.193 -5.342 0.736 1.00 0.00 H new ATOM 213 N ARG A 16 1.713 -7.766 -3.191 1.00 0.00 N ATOM 214 CA ARG A 16 0.630 -7.970 -4.139 1.00 0.00 C ATOM 215 C ARG A 16 -0.524 -8.721 -3.473 1.00 0.00 C ATOM 216 O ARG A 16 -0.458 -9.936 -3.295 1.00 0.00 O ATOM 217 CB ARG A 16 1.109 -8.762 -5.358 1.00 0.00 C ATOM 218 CG ARG A 16 0.910 -7.959 -6.646 1.00 0.00 C ATOM 219 CD ARG A 16 2.228 -7.807 -7.407 1.00 0.00 C ATOM 220 NE ARG A 16 1.975 -7.238 -8.748 1.00 0.00 N ATOM 221 CZ ARG A 16 2.786 -7.419 -9.813 1.00 0.00 C ATOM 222 NH1 ARG A 16 3.910 -8.158 -9.701 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.463 -6.862 -10.966 1.00 0.00 N ATOM 0 H ARG A 16 2.331 -8.568 -3.069 1.00 0.00 H new ATOM 0 HA ARG A 16 0.287 -6.989 -4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.163 -9.014 -5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.562 -9.702 -5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.176 -8.457 -7.279 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.509 -6.974 -6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.906 -7.160 -6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.717 -8.777 -7.501 1.00 0.00 H new ATOM 0 HE ARG A 16 1.135 -6.673 -8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.153 -8.585 -8.807 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.517 -8.290 -10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.612 -6.305 -11.043 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.065 -6.989 -11.780 1.00 0.00 H new ATOM 233 N LEU A 17 -1.556 -7.966 -3.123 1.00 0.00 N ATOM 234 CA LEU A 17 -2.722 -8.545 -2.480 1.00 0.00 C ATOM 235 C LEU A 17 -3.790 -8.834 -3.537 1.00 0.00 C ATOM 236 O LEU A 17 -4.099 -7.977 -4.363 1.00 0.00 O ATOM 237 CB LEU A 17 -3.210 -7.644 -1.343 1.00 0.00 C ATOM 238 CG LEU A 17 -3.054 -8.205 0.070 1.00 0.00 C ATOM 239 CD1 LEU A 17 -3.563 -9.647 0.148 1.00 0.00 C ATOM 240 CD2 LEU A 17 -1.608 -8.082 0.554 1.00 0.00 C ATOM 0 H LEU A 17 -1.608 -6.958 -3.273 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.467 -9.497 -2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.671 -6.698 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.264 -7.421 -1.510 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.670 -7.608 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.440 -10.022 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.618 -9.676 -0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.994 -10.272 -0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.526 -8.489 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.952 -8.637 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.315 -7.032 0.561 1.00 0.00 H new ATOM 251 N THR A 18 -4.325 -10.045 -3.476 1.00 0.00 N ATOM 252 CA THR A 18 -5.351 -10.458 -4.419 1.00 0.00 C ATOM 253 C THR A 18 -6.566 -11.017 -3.673 1.00 0.00 C ATOM 254 O THR A 18 -6.466 -12.040 -2.998 1.00 0.00 O ATOM 255 CB THR A 18 -4.725 -11.456 -5.393 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.685 -12.072 -4.638 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.991 -10.768 -6.546 1.00 0.00 C ATOM 0 H THR A 18 -4.067 -10.753 -2.789 1.00 0.00 H new ATOM 0 HA THR A 18 -5.723 -9.611 -4.995 1.00 0.00 H new ATOM 0 HB THR A 18 -5.502 -12.107 -5.794 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.227 -12.736 -5.194 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.565 -11.522 -7.208 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.692 -10.148 -7.105 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.192 -10.143 -6.147 1.00 0.00 H new ATOM 265 N GLY A 19 -7.682 -10.319 -3.821 1.00 0.00 N ATOM 266 CA GLY A 19 -8.914 -10.733 -3.170 1.00 0.00 C ATOM 267 C GLY A 19 -9.794 -9.524 -2.844 1.00 0.00 C ATOM 268 O GLY A 19 -10.204 -8.790 -3.743 1.00 0.00 O ATOM 0 H GLY A 19 -7.759 -9.470 -4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.459 -11.420 -3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.681 -11.276 -2.254 1.00 0.00 H new ATOM 272 N GLU A 20 -10.061 -9.356 -1.558 1.00 0.00 N ATOM 273 CA GLU A 20 -10.885 -8.248 -1.103 1.00 0.00 C ATOM 274 C GLU A 20 -10.109 -7.382 -0.109 1.00 0.00 C ATOM 275 O GLU A 20 -9.164 -7.850 0.523 1.00 0.00 O ATOM 276 CB GLU A 20 -12.190 -8.755 -0.486 1.00 0.00 C ATOM 277 CG GLU A 20 -13.369 -8.528 -1.433 1.00 0.00 C ATOM 278 CD GLU A 20 -13.851 -9.849 -2.036 1.00 0.00 C ATOM 279 OE1 GLU A 20 -13.160 -10.432 -2.884 1.00 0.00 O ATOM 280 OE2 GLU A 20 -14.988 -10.268 -1.593 1.00 0.00 O ATOM 0 H GLU A 20 -9.722 -9.968 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.143 -7.633 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.100 -9.817 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.373 -8.242 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.187 -8.051 -0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.073 -7.847 -2.231 1.00 0.00 H new ATOM 286 N LEU A 21 -10.536 -6.132 -0.004 1.00 0.00 N ATOM 287 CA LEU A 21 -9.893 -5.195 0.901 1.00 0.00 C ATOM 288 C LEU A 21 -10.902 -4.738 1.956 1.00 0.00 C ATOM 289 O LEU A 21 -11.599 -3.742 1.764 1.00 0.00 O ATOM 290 CB LEU A 21 -9.258 -4.044 0.119 1.00 0.00 C ATOM 291 CG LEU A 21 -8.711 -2.885 0.955 1.00 0.00 C ATOM 292 CD1 LEU A 21 -9.680 -1.702 0.951 1.00 0.00 C ATOM 293 CD2 LEU A 21 -8.373 -3.345 2.375 1.00 0.00 C ATOM 0 H LEU A 21 -11.320 -5.746 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.073 -5.680 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.444 -4.446 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.001 -3.648 -0.573 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.783 -2.542 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.268 -0.892 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.827 -1.356 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.637 -2.014 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.986 -2.502 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.272 -3.729 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.620 -4.131 2.333 1.00 0.00 H new ATOM 304 N ASP A 22 -10.949 -5.487 3.048 1.00 0.00 N ATOM 305 CA ASP A 22 -11.862 -5.170 4.134 1.00 0.00 C ATOM 306 C ASP A 22 -11.168 -5.438 5.471 1.00 0.00 C ATOM 307 O ASP A 22 -10.075 -6.002 5.506 1.00 0.00 O ATOM 308 CB ASP A 22 -13.118 -6.043 4.070 1.00 0.00 C ATOM 309 CG ASP A 22 -13.089 -7.140 3.004 1.00 0.00 C ATOM 310 OD1 ASP A 22 -13.091 -8.339 3.322 1.00 0.00 O ATOM 311 OD2 ASP A 22 -13.061 -6.716 1.786 1.00 0.00 O ATOM 0 H ASP A 22 -10.370 -6.312 3.204 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.146 -4.122 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.269 -6.508 5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.979 -5.401 3.886 1.00 0.00 H new ATOM 316 N HIS A 23 -11.831 -5.019 6.539 1.00 0.00 N ATOM 317 CA HIS A 23 -11.293 -5.207 7.876 1.00 0.00 C ATOM 318 C HIS A 23 -10.785 -6.641 8.029 1.00 0.00 C ATOM 319 O HIS A 23 -9.935 -6.917 8.873 1.00 0.00 O ATOM 320 CB HIS A 23 -12.327 -4.827 8.937 1.00 0.00 C ATOM 321 CG HIS A 23 -13.201 -5.976 9.380 1.00 0.00 C ATOM 322 ND1 HIS A 23 -12.954 -6.707 10.529 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.323 -6.511 8.817 1.00 0.00 C ATOM 324 CE1 HIS A 23 -13.890 -7.638 10.643 1.00 0.00 C ATOM 325 NE2 HIS A 23 -14.737 -7.515 9.581 1.00 0.00 N ATOM 0 H HIS A 23 -12.736 -4.550 6.506 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.444 -4.541 8.026 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.809 -4.422 9.806 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.961 -4.032 8.544 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.794 -6.175 7.905 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -13.968 -8.366 11.437 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.554 -8.099 9.403 1.00 0.00 H new ATOM 332 N HIS A 24 -11.328 -7.518 7.197 1.00 0.00 N ATOM 333 CA HIS A 24 -10.941 -8.919 7.229 1.00 0.00 C ATOM 334 C HIS A 24 -9.609 -9.100 6.499 1.00 0.00 C ATOM 335 O HIS A 24 -8.682 -9.708 7.031 1.00 0.00 O ATOM 336 CB HIS A 24 -12.053 -9.803 6.662 1.00 0.00 C ATOM 337 CG HIS A 24 -13.222 -9.997 7.599 1.00 0.00 C ATOM 338 ND1 HIS A 24 -13.304 -11.058 8.484 1.00 0.00 N ATOM 339 CD2 HIS A 24 -14.352 -9.256 7.780 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.437 -10.950 9.163 1.00 0.00 C ATOM 341 NE2 HIS A 24 -15.085 -9.834 8.724 1.00 0.00 N ATOM 0 H HIS A 24 -12.033 -7.286 6.497 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.796 -9.236 8.262 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.415 -9.363 5.733 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.636 -10.778 6.412 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -12.610 -11.797 8.595 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.607 -8.353 7.246 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -14.785 -11.627 9.929 1.00 0.00 H new ATOM 348 N THR A 25 -9.557 -8.562 5.289 1.00 0.00 N ATOM 349 CA THR A 25 -8.354 -8.656 4.479 1.00 0.00 C ATOM 350 C THR A 25 -7.341 -7.591 4.903 1.00 0.00 C ATOM 351 O THR A 25 -6.134 -7.797 4.786 1.00 0.00 O ATOM 352 CB THR A 25 -8.764 -8.553 3.008 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.759 -7.153 2.744 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.218 -8.970 2.776 1.00 0.00 C ATOM 0 H THR A 25 -10.329 -8.060 4.850 1.00 0.00 H new ATOM 0 HA THR A 25 -7.853 -9.613 4.625 1.00 0.00 H new ATOM 0 HB THR A 25 -8.106 -9.176 2.403 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.380 -6.989 1.855 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.458 -8.879 1.717 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.355 -10.004 3.091 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.878 -8.324 3.355 1.00 0.00 H new ATOM 362 N ALA A 26 -7.869 -6.477 5.387 1.00 0.00 N ATOM 363 CA ALA A 26 -7.026 -5.380 5.829 1.00 0.00 C ATOM 364 C ALA A 26 -6.138 -5.856 6.981 1.00 0.00 C ATOM 365 O ALA A 26 -5.161 -5.196 7.330 1.00 0.00 O ATOM 366 CB ALA A 26 -7.902 -4.188 6.222 1.00 0.00 C ATOM 0 H ALA A 26 -8.871 -6.310 5.483 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.371 -5.051 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.269 -3.365 6.554 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.490 -3.869 5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.572 -4.480 7.031 1.00 0.00 H new ATOM 372 N GLU A 27 -6.510 -6.999 7.539 1.00 0.00 N ATOM 373 CA GLU A 27 -5.760 -7.572 8.643 1.00 0.00 C ATOM 374 C GLU A 27 -4.338 -7.918 8.197 1.00 0.00 C ATOM 375 O GLU A 27 -3.368 -7.516 8.837 1.00 0.00 O ATOM 376 CB GLU A 27 -6.472 -8.802 9.210 1.00 0.00 C ATOM 377 CG GLU A 27 -6.614 -8.701 10.730 1.00 0.00 C ATOM 378 CD GLU A 27 -7.970 -8.107 11.116 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.015 -8.716 10.842 1.00 0.00 O ATOM 380 OE2 GLU A 27 -7.914 -6.969 11.721 1.00 0.00 O ATOM 0 H GLU A 27 -7.321 -7.544 7.247 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.699 -6.830 9.439 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.458 -8.898 8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.913 -9.701 8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.506 -9.690 11.175 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.813 -8.081 11.133 1.00 0.00 H new ATOM 386 N THR A 28 -4.260 -8.659 7.102 1.00 0.00 N ATOM 387 CA THR A 28 -2.973 -9.063 6.562 1.00 0.00 C ATOM 388 C THR A 28 -1.998 -7.886 6.569 1.00 0.00 C ATOM 389 O THR A 28 -0.860 -8.019 7.017 1.00 0.00 O ATOM 390 CB THR A 28 -3.208 -9.649 5.168 1.00 0.00 C ATOM 391 OG1 THR A 28 -2.369 -10.801 5.129 1.00 0.00 O ATOM 392 CG2 THR A 28 -2.660 -8.752 4.056 1.00 0.00 C ATOM 0 H THR A 28 -5.067 -8.990 6.574 1.00 0.00 H new ATOM 0 HA THR A 28 -2.509 -9.832 7.180 1.00 0.00 H new ATOM 0 HB THR A 28 -4.276 -9.805 5.016 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.461 -11.243 4.259 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.853 -9.214 3.088 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.150 -7.779 4.098 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.586 -8.623 4.189 1.00 0.00 H new ATOM 400 N LEU A 29 -2.478 -6.757 6.068 1.00 0.00 N ATOM 401 CA LEU A 29 -1.663 -5.556 6.011 1.00 0.00 C ATOM 402 C LEU A 29 -1.483 -4.999 7.426 1.00 0.00 C ATOM 403 O LEU A 29 -0.498 -4.320 7.709 1.00 0.00 O ATOM 404 CB LEU A 29 -2.259 -4.549 5.026 1.00 0.00 C ATOM 405 CG LEU A 29 -1.259 -3.798 4.146 1.00 0.00 C ATOM 406 CD1 LEU A 29 -0.134 -4.726 3.681 1.00 0.00 C ATOM 407 CD2 LEU A 29 -1.964 -3.119 2.969 1.00 0.00 C ATOM 0 H LEU A 29 -3.422 -6.649 5.698 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.669 -5.789 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.959 -5.076 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.837 -3.817 5.591 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.802 -3.010 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.564 -4.168 3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.393 -5.122 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.556 -5.550 3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.230 -2.592 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.466 -3.872 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.699 -2.408 3.346 1.00 0.00 H new ATOM 418 N LYS A 30 -2.451 -5.308 8.276 1.00 0.00 N ATOM 419 CA LYS A 30 -2.411 -4.848 9.654 1.00 0.00 C ATOM 420 C LYS A 30 -1.111 -5.322 10.309 1.00 0.00 C ATOM 421 O LYS A 30 -0.451 -4.556 11.009 1.00 0.00 O ATOM 422 CB LYS A 30 -3.672 -5.287 10.401 1.00 0.00 C ATOM 423 CG LYS A 30 -3.930 -4.391 11.614 1.00 0.00 C ATOM 424 CD LYS A 30 -4.214 -5.227 12.864 1.00 0.00 C ATOM 425 CE LYS A 30 -3.030 -5.185 13.833 1.00 0.00 C ATOM 426 NZ LYS A 30 -3.366 -5.885 15.092 1.00 0.00 N ATOM 0 H LYS A 30 -3.267 -5.871 8.037 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.408 -3.759 9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.529 -5.250 9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.565 -6.322 10.725 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.065 -3.752 11.789 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.776 -3.734 11.412 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.109 -4.852 13.361 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.417 -6.259 12.577 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.159 -5.651 13.372 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.763 -4.150 14.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.552 -5.847 15.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.184 -5.423 15.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.599 -6.878 14.886 1.00 0.00 H new ATOM 435 N GLN A 31 -0.785 -6.581 10.058 1.00 0.00 N ATOM 436 CA GLN A 31 0.424 -7.165 10.613 1.00 0.00 C ATOM 437 C GLN A 31 1.654 -6.668 9.851 1.00 0.00 C ATOM 438 O GLN A 31 2.772 -6.736 10.358 1.00 0.00 O ATOM 439 CB GLN A 31 0.351 -8.694 10.599 1.00 0.00 C ATOM 440 CG GLN A 31 0.050 -9.214 9.192 1.00 0.00 C ATOM 441 CD GLN A 31 0.341 -10.713 9.089 1.00 0.00 C ATOM 442 OE1 GLN A 31 1.423 -11.185 9.397 1.00 0.00 O ATOM 443 NE2 GLN A 31 -0.684 -11.433 8.640 1.00 0.00 N ATOM 0 H GLN A 31 -1.337 -7.213 9.478 1.00 0.00 H new ATOM 0 HA GLN A 31 0.513 -6.847 11.652 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.295 -9.110 10.950 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.423 -9.031 11.289 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.995 -9.025 8.946 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.652 -8.672 8.463 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.563 -10.975 8.400 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.591 -12.443 8.536 1.00 0.00 H new ATOM 450 N LYS A 32 1.404 -6.177 8.645 1.00 0.00 N ATOM 451 CA LYS A 32 2.477 -5.668 7.808 1.00 0.00 C ATOM 452 C LYS A 32 2.950 -4.320 8.355 1.00 0.00 C ATOM 453 O LYS A 32 4.125 -3.976 8.238 1.00 0.00 O ATOM 454 CB LYS A 32 2.036 -5.617 6.344 1.00 0.00 C ATOM 455 CG LYS A 32 3.121 -4.991 5.466 1.00 0.00 C ATOM 456 CD LYS A 32 4.466 -5.692 5.672 1.00 0.00 C ATOM 457 CE LYS A 32 5.479 -5.257 4.612 1.00 0.00 C ATOM 458 NZ LYS A 32 6.770 -5.952 4.813 1.00 0.00 N ATOM 0 H LYS A 32 0.475 -6.121 8.228 1.00 0.00 H new ATOM 0 HA LYS A 32 3.334 -6.342 7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.815 -6.625 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.115 -5.040 6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.829 -5.058 4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.219 -3.932 5.703 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.852 -5.462 6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.328 -6.772 5.626 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.091 -5.478 3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.628 -4.178 4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.356 -5.849 3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.266 -5.534 5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.596 -6.961 4.994 1.00 0.00 H new ATOM 467 N VAL A 33 2.010 -3.594 8.943 1.00 0.00 N ATOM 468 CA VAL A 33 2.316 -2.292 9.509 1.00 0.00 C ATOM 469 C VAL A 33 3.341 -2.456 10.632 1.00 0.00 C ATOM 470 O VAL A 33 4.420 -1.866 10.584 1.00 0.00 O ATOM 471 CB VAL A 33 1.028 -1.607 9.970 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.241 -0.102 10.148 1.00 0.00 C ATOM 473 CG2 VAL A 33 -0.121 -1.887 9.000 1.00 0.00 C ATOM 0 H VAL A 33 1.037 -3.883 9.039 1.00 0.00 H new ATOM 0 HA VAL A 33 2.762 -1.643 8.755 1.00 0.00 H new ATOM 0 HB VAL A 33 0.756 -2.024 10.940 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.310 0.361 10.476 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.015 0.070 10.896 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.550 0.337 9.199 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.024 -1.388 9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.139 -1.511 8.010 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.298 -2.961 8.946 1.00 0.00 H new ATOM 483 N THR A 34 2.969 -3.259 11.618 1.00 0.00 N ATOM 484 CA THR A 34 3.843 -3.508 12.751 1.00 0.00 C ATOM 485 C THR A 34 5.272 -3.770 12.275 1.00 0.00 C ATOM 486 O THR A 34 6.232 -3.445 12.972 1.00 0.00 O ATOM 487 CB THR A 34 3.250 -4.664 13.559 1.00 0.00 C ATOM 488 OG1 THR A 34 4.380 -5.459 13.908 1.00 0.00 O ATOM 489 CG2 THR A 34 2.389 -5.596 12.704 1.00 0.00 C ATOM 0 H THR A 34 2.073 -3.746 11.655 1.00 0.00 H new ATOM 0 HA THR A 34 3.906 -2.636 13.401 1.00 0.00 H new ATOM 0 HB THR A 34 2.650 -4.264 14.377 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.086 -6.231 14.435 1.00 0.00 H new ATOM 0 HG21 THR A 34 1.993 -6.398 13.326 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.563 -5.032 12.270 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.997 -6.022 11.906 1.00 0.00 H new ATOM 497 N GLN A 35 5.369 -4.355 11.090 1.00 0.00 N ATOM 498 CA GLN A 35 6.667 -4.664 10.513 1.00 0.00 C ATOM 499 C GLN A 35 7.418 -3.375 10.175 1.00 0.00 C ATOM 500 O GLN A 35 8.629 -3.289 10.371 1.00 0.00 O ATOM 501 CB GLN A 35 6.518 -5.552 9.276 1.00 0.00 C ATOM 502 CG GLN A 35 5.421 -6.599 9.480 1.00 0.00 C ATOM 503 CD GLN A 35 5.579 -7.302 10.830 1.00 0.00 C ATOM 504 OE1 GLN A 35 6.281 -8.290 10.966 1.00 0.00 O ATOM 505 NE2 GLN A 35 4.890 -6.738 11.818 1.00 0.00 N ATOM 0 H GLN A 35 4.571 -4.623 10.514 1.00 0.00 H new ATOM 0 HA GLN A 35 7.249 -5.217 11.250 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.281 -4.936 8.409 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.465 -6.049 9.065 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.443 -6.121 9.427 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.461 -7.334 8.676 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.321 -5.911 11.636 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.931 -7.132 12.758 1.00 0.00 H new ATOM 512 N SER A 36 6.668 -2.404 9.673 1.00 0.00 N ATOM 513 CA SER A 36 7.248 -1.123 9.307 1.00 0.00 C ATOM 514 C SER A 36 7.505 -0.287 10.562 1.00 0.00 C ATOM 515 O SER A 36 8.381 0.577 10.569 1.00 0.00 O ATOM 516 CB SER A 36 6.339 -0.364 8.340 1.00 0.00 C ATOM 517 OG SER A 36 7.084 0.356 7.361 1.00 0.00 O ATOM 0 H SER A 36 5.664 -2.479 9.511 1.00 0.00 H new ATOM 0 HA SER A 36 8.196 -1.308 8.802 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.671 -1.067 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.712 0.329 8.900 1.00 0.00 H new ATOM 0 HG SER A 36 6.468 0.826 6.761 1.00 0.00 H new ATOM 522 N LEU A 37 6.726 -0.573 11.595 1.00 0.00 N ATOM 523 CA LEU A 37 6.857 0.142 12.852 1.00 0.00 C ATOM 524 C LEU A 37 8.330 0.172 13.266 1.00 0.00 C ATOM 525 O LEU A 37 8.797 1.152 13.843 1.00 0.00 O ATOM 526 CB LEU A 37 5.933 -0.461 13.912 1.00 0.00 C ATOM 527 CG LEU A 37 4.829 0.457 14.442 1.00 0.00 C ATOM 528 CD1 LEU A 37 5.413 1.777 14.952 1.00 0.00 C ATOM 529 CD2 LEU A 37 3.746 0.680 13.384 1.00 0.00 C ATOM 0 H LEU A 37 6.001 -1.291 11.586 1.00 0.00 H new ATOM 0 HA LEU A 37 6.536 1.177 12.735 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.466 -1.353 13.494 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.543 -0.786 14.755 1.00 0.00 H new ATOM 0 HG LEU A 37 4.353 -0.035 15.290 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.608 2.412 15.323 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.118 1.575 15.759 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.929 2.285 14.138 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.974 1.336 13.786 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.189 1.141 12.501 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.303 -0.277 13.110 1.00 0.00 H new ATOM 540 N GLU A 38 9.020 -0.914 12.953 1.00 0.00 N ATOM 541 CA GLU A 38 10.431 -1.027 13.285 1.00 0.00 C ATOM 542 C GLU A 38 11.050 -2.231 12.572 1.00 0.00 C ATOM 543 O GLU A 38 11.306 -3.260 13.195 1.00 0.00 O ATOM 544 CB GLU A 38 10.632 -1.122 14.799 1.00 0.00 C ATOM 545 CG GLU A 38 10.600 0.265 15.445 1.00 0.00 C ATOM 546 CD GLU A 38 11.550 0.335 16.641 1.00 0.00 C ATOM 547 OE1 GLU A 38 11.614 -0.612 17.439 1.00 0.00 O ATOM 548 OE2 GLU A 38 12.240 1.422 16.726 1.00 0.00 O ATOM 0 H GLU A 38 8.629 -1.724 12.473 1.00 0.00 H new ATOM 0 HA GLU A 38 10.939 -0.126 12.940 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.853 -1.748 15.234 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.585 -1.605 15.013 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.880 1.019 14.709 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.585 0.496 15.768 1.00 0.00 H new ATOM 554 N LYS A 39 11.274 -2.061 11.277 1.00 0.00 N ATOM 555 CA LYS A 39 11.858 -3.121 10.474 1.00 0.00 C ATOM 556 C LYS A 39 13.334 -3.282 10.844 1.00 0.00 C ATOM 557 O LYS A 39 13.786 -4.385 11.144 1.00 0.00 O ATOM 558 CB LYS A 39 11.623 -2.857 8.986 1.00 0.00 C ATOM 559 CG LYS A 39 12.184 -3.995 8.131 1.00 0.00 C ATOM 560 CD LYS A 39 11.213 -5.176 8.082 1.00 0.00 C ATOM 561 CE LYS A 39 11.528 -6.192 9.182 1.00 0.00 C ATOM 562 NZ LYS A 39 11.754 -7.533 8.599 1.00 0.00 N ATOM 0 H LYS A 39 11.061 -1.205 10.764 1.00 0.00 H new ATOM 0 HA LYS A 39 11.370 -4.072 10.687 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.555 -2.748 8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.095 -1.917 8.701 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.375 -3.635 7.120 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.140 -4.323 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.191 -4.816 8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.273 -5.660 7.107 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.412 -5.876 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.704 -6.233 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.967 -8.211 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.900 -7.839 8.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.555 -7.493 7.937 1.00 0.00 H new ATOM 571 N ASP A 40 14.044 -2.164 10.811 1.00 0.00 N ATOM 572 CA ASP A 40 15.460 -2.165 11.138 1.00 0.00 C ATOM 573 C ASP A 40 16.160 -1.050 10.361 1.00 0.00 C ATOM 574 O ASP A 40 16.347 0.050 10.878 1.00 0.00 O ATOM 575 CB ASP A 40 16.112 -3.494 10.752 1.00 0.00 C ATOM 576 CG ASP A 40 16.225 -4.514 11.887 1.00 0.00 C ATOM 577 OD1 ASP A 40 15.831 -5.680 11.740 1.00 0.00 O ATOM 578 OD2 ASP A 40 16.750 -4.061 12.975 1.00 0.00 O ATOM 0 H ASP A 40 13.665 -1.250 10.563 1.00 0.00 H new ATOM 0 HA ASP A 40 15.558 -2.014 12.213 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.539 -3.940 9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.111 -3.292 10.365 1.00 0.00 H new ATOM 583 N ASP A 41 16.530 -1.373 9.130 1.00 0.00 N ATOM 584 CA ASP A 41 17.207 -0.412 8.275 1.00 0.00 C ATOM 585 C ASP A 41 16.179 0.566 7.702 1.00 0.00 C ATOM 586 O ASP A 41 15.406 1.167 8.447 1.00 0.00 O ATOM 587 CB ASP A 41 17.900 -1.109 7.103 1.00 0.00 C ATOM 588 CG ASP A 41 18.904 -0.244 6.338 1.00 0.00 C ATOM 589 OD1 ASP A 41 18.990 -0.307 5.102 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.627 0.531 7.073 1.00 0.00 O ATOM 0 H ASP A 41 16.374 -2.287 8.704 1.00 0.00 H new ATOM 0 HA ASP A 41 17.952 0.108 8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.417 -1.992 7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.138 -1.458 6.406 1.00 0.00 H new ATOM 595 N ILE A 42 16.205 0.698 6.384 1.00 0.00 N ATOM 596 CA ILE A 42 15.286 1.592 5.703 1.00 0.00 C ATOM 597 C ILE A 42 14.936 1.011 4.332 1.00 0.00 C ATOM 598 O ILE A 42 15.487 1.432 3.316 1.00 0.00 O ATOM 599 CB ILE A 42 15.864 3.008 5.640 1.00 0.00 C ATOM 600 CG1 ILE A 42 15.617 3.758 6.952 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.317 3.771 4.432 1.00 0.00 C ATOM 602 CD1 ILE A 42 14.119 3.932 7.211 1.00 0.00 C ATOM 0 H ILE A 42 16.849 0.200 5.770 1.00 0.00 H new ATOM 0 HA ILE A 42 14.354 1.676 6.261 1.00 0.00 H new ATOM 0 HB ILE A 42 16.943 2.932 5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 42 16.071 3.212 7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 42 16.099 4.735 6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.744 4.774 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.585 3.244 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.232 3.840 4.506 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.972 4.468 8.149 1.00 0.00 H new ATOM 0 HD12 ILE A 42 13.672 4.500 6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 42 13.645 2.953 7.274 1.00 0.00 H new ATOM 613 N ARG A 43 14.022 0.052 4.347 1.00 0.00 N ATOM 614 CA ARG A 43 13.592 -0.592 3.118 1.00 0.00 C ATOM 615 C ARG A 43 12.568 0.281 2.390 1.00 0.00 C ATOM 616 O ARG A 43 12.427 1.464 2.698 1.00 0.00 O ATOM 617 CB ARG A 43 12.974 -1.963 3.401 1.00 0.00 C ATOM 618 CG ARG A 43 14.012 -3.076 3.243 1.00 0.00 C ATOM 619 CD ARG A 43 15.417 -2.565 3.564 1.00 0.00 C ATOM 620 NE ARG A 43 16.248 -3.667 4.098 1.00 0.00 N ATOM 621 CZ ARG A 43 17.598 -3.657 4.117 1.00 0.00 C ATOM 622 NH1 ARG A 43 18.282 -2.600 3.632 1.00 0.00 N ATOM 623 NH2 ARG A 43 18.239 -4.697 4.618 1.00 0.00 N ATOM 0 H ARG A 43 13.567 -0.295 5.192 1.00 0.00 H new ATOM 0 HA ARG A 43 14.472 -0.726 2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.568 -1.981 4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.141 -2.138 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.763 -3.906 3.904 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.985 -3.461 2.224 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.877 -2.154 2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.361 -1.756 4.292 1.00 0.00 H new ATOM 0 HE ARG A 43 15.771 -4.486 4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.779 -1.800 3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 43 19.302 -2.601 3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.714 -5.492 4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.259 -4.705 4.640 1.00 0.00 H new ATOM 633 N HIS A 44 11.881 -0.335 1.440 1.00 0.00 N ATOM 634 CA HIS A 44 10.874 0.373 0.667 1.00 0.00 C ATOM 635 C HIS A 44 9.622 -0.497 0.538 1.00 0.00 C ATOM 636 O HIS A 44 9.684 -1.712 0.718 1.00 0.00 O ATOM 637 CB HIS A 44 11.435 0.807 -0.688 1.00 0.00 C ATOM 638 CG HIS A 44 12.478 1.896 -0.600 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.368 2.972 0.263 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.652 2.063 -1.275 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.431 3.746 0.106 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.226 3.181 -0.847 1.00 0.00 N ATOM 0 H HIS A 44 12.001 -1.316 1.188 1.00 0.00 H new ATOM 0 HA HIS A 44 10.588 1.288 1.187 1.00 0.00 H new ATOM 0 HB2 HIS A 44 11.871 -0.060 -1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.614 1.154 -1.315 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.047 1.399 -2.029 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.633 4.663 0.639 1.00 0.00 H new ATOM 0 HE2 HIS A 44 15.115 3.556 -1.177 1.00 0.00 H new ATOM 649 N ILE A 45 8.514 0.160 0.227 1.00 0.00 N ATOM 650 CA ILE A 45 7.249 -0.538 0.073 1.00 0.00 C ATOM 651 C ILE A 45 6.824 -0.495 -1.397 1.00 0.00 C ATOM 652 O ILE A 45 7.297 0.346 -2.159 1.00 0.00 O ATOM 653 CB ILE A 45 6.201 0.032 1.032 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.381 1.133 0.357 1.00 0.00 C ATOM 655 CG2 ILE A 45 6.852 0.515 2.330 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.231 1.910 -0.651 1.00 0.00 C ATOM 0 H ILE A 45 8.466 1.168 0.078 1.00 0.00 H new ATOM 0 HA ILE A 45 7.358 -1.588 0.344 1.00 0.00 H new ATOM 0 HB ILE A 45 5.509 -0.767 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.522 0.693 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.991 1.816 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.086 0.915 2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.355 -0.320 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.580 1.294 2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.624 2.687 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.076 2.369 -0.137 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.599 1.229 -1.418 1.00 0.00 H new ATOM 667 N VAL A 46 5.938 -1.415 -1.751 1.00 0.00 N ATOM 668 CA VAL A 46 5.445 -1.493 -3.115 1.00 0.00 C ATOM 669 C VAL A 46 4.106 -2.234 -3.127 1.00 0.00 C ATOM 670 O VAL A 46 4.062 -3.440 -3.365 1.00 0.00 O ATOM 671 CB VAL A 46 6.497 -2.144 -4.015 1.00 0.00 C ATOM 672 CG1 VAL A 46 5.845 -3.089 -5.026 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.345 -1.085 -4.722 1.00 0.00 C ATOM 0 H VAL A 46 5.549 -2.112 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 46 5.268 -0.495 -3.515 1.00 0.00 H new ATOM 0 HB VAL A 46 7.159 -2.735 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.615 -3.538 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.306 -3.874 -4.495 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.149 -2.529 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.085 -1.575 -5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.702 -0.454 -5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.853 -0.470 -3.979 1.00 0.00 H new ATOM 683 N LEU A 47 3.047 -1.481 -2.868 1.00 0.00 N ATOM 684 CA LEU A 47 1.712 -2.051 -2.846 1.00 0.00 C ATOM 685 C LEU A 47 1.171 -2.128 -4.276 1.00 0.00 C ATOM 686 O LEU A 47 1.567 -1.343 -5.136 1.00 0.00 O ATOM 687 CB LEU A 47 0.810 -1.269 -1.889 1.00 0.00 C ATOM 688 CG LEU A 47 1.374 -1.021 -0.489 1.00 0.00 C ATOM 689 CD1 LEU A 47 0.473 -0.073 0.305 1.00 0.00 C ATOM 690 CD2 LEU A 47 1.610 -2.340 0.249 1.00 0.00 C ATOM 0 H LEU A 47 3.087 -0.481 -2.672 1.00 0.00 H new ATOM 0 HA LEU A 47 1.740 -3.070 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.581 -0.305 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.133 -1.806 -1.789 1.00 0.00 H new ATOM 0 HG LEU A 47 2.343 -0.533 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.897 0.087 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.400 0.881 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.521 -0.511 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.011 -2.135 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.667 -2.878 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.321 -2.948 -0.311 1.00 0.00 H new ATOM 701 N ASN A 48 0.276 -3.082 -4.486 1.00 0.00 N ATOM 702 CA ASN A 48 -0.324 -3.271 -5.796 1.00 0.00 C ATOM 703 C ASN A 48 -1.337 -4.415 -5.729 1.00 0.00 C ATOM 704 O ASN A 48 -0.958 -5.579 -5.607 1.00 0.00 O ATOM 705 CB ASN A 48 0.735 -3.639 -6.837 1.00 0.00 C ATOM 706 CG ASN A 48 1.752 -4.626 -6.262 1.00 0.00 C ATOM 707 OD1 ASN A 48 1.523 -5.275 -5.253 1.00 0.00 O ATOM 708 ND2 ASN A 48 2.884 -4.704 -6.956 1.00 0.00 N ATOM 0 H ASN A 48 -0.048 -3.733 -3.771 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.806 -2.337 -6.084 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.253 -4.076 -7.712 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.248 -2.738 -7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.626 -5.335 -6.653 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.010 -4.133 -7.791 1.00 0.00 H new ATOM 714 N LEU A 49 -2.606 -4.045 -5.809 1.00 0.00 N ATOM 715 CA LEU A 49 -3.677 -5.026 -5.759 1.00 0.00 C ATOM 716 C LEU A 49 -4.160 -5.321 -7.180 1.00 0.00 C ATOM 717 O LEU A 49 -4.710 -4.445 -7.847 1.00 0.00 O ATOM 718 CB LEU A 49 -4.788 -4.559 -4.816 1.00 0.00 C ATOM 719 CG LEU A 49 -4.875 -5.283 -3.471 1.00 0.00 C ATOM 720 CD1 LEU A 49 -4.729 -4.298 -2.308 1.00 0.00 C ATOM 721 CD2 LEU A 49 -6.164 -6.101 -3.371 1.00 0.00 C ATOM 0 H LEU A 49 -2.917 -3.079 -5.908 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.313 -5.966 -5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.651 -3.495 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.743 -4.671 -5.329 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.043 -5.984 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.794 -4.838 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.763 -3.798 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.526 -3.556 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.201 -6.605 -2.405 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.024 -5.438 -3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.187 -6.843 -4.169 1.00 0.00 H new ATOM 732 N GLU A 50 -3.939 -6.558 -7.602 1.00 0.00 N ATOM 733 CA GLU A 50 -4.344 -6.979 -8.931 1.00 0.00 C ATOM 734 C GLU A 50 -5.825 -7.363 -8.938 1.00 0.00 C ATOM 735 O GLU A 50 -6.473 -7.335 -9.984 1.00 0.00 O ATOM 736 CB GLU A 50 -3.475 -8.136 -9.429 1.00 0.00 C ATOM 737 CG GLU A 50 -2.808 -7.787 -10.761 1.00 0.00 C ATOM 738 CD GLU A 50 -3.674 -8.236 -11.941 1.00 0.00 C ATOM 739 OE1 GLU A 50 -4.536 -7.473 -12.402 1.00 0.00 O ATOM 740 OE2 GLU A 50 -3.422 -9.422 -12.381 1.00 0.00 O ATOM 0 H GLU A 50 -3.484 -7.282 -7.046 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.203 -6.142 -9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.712 -8.368 -8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.087 -9.030 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.640 -6.712 -10.817 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.831 -8.266 -10.819 1.00 0.00 H new ATOM 746 N ASP A 51 -6.317 -7.714 -7.759 1.00 0.00 N ATOM 747 CA ASP A 51 -7.710 -8.104 -7.616 1.00 0.00 C ATOM 748 C ASP A 51 -8.410 -7.136 -6.659 1.00 0.00 C ATOM 749 O ASP A 51 -8.885 -7.540 -5.599 1.00 0.00 O ATOM 750 CB ASP A 51 -7.830 -9.514 -7.033 1.00 0.00 C ATOM 751 CG ASP A 51 -9.260 -9.974 -6.744 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.644 -10.175 -5.583 1.00 0.00 O ATOM 753 OD2 ASP A 51 -10.004 -10.128 -7.787 1.00 0.00 O ATOM 0 H ASP A 51 -5.777 -7.737 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.170 -8.082 -8.604 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.371 -10.218 -7.727 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.256 -9.558 -6.107 1.00 0.00 H new ATOM 758 N LEU A 52 -8.451 -5.876 -7.068 1.00 0.00 N ATOM 759 CA LEU A 52 -9.085 -4.848 -6.261 1.00 0.00 C ATOM 760 C LEU A 52 -10.560 -4.736 -6.651 1.00 0.00 C ATOM 761 O LEU A 52 -10.884 -4.251 -7.735 1.00 0.00 O ATOM 762 CB LEU A 52 -8.317 -3.530 -6.374 1.00 0.00 C ATOM 763 CG LEU A 52 -8.381 -2.610 -5.153 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.801 -2.548 -4.587 1.00 0.00 C ATOM 765 CD2 LEU A 52 -7.360 -3.032 -4.094 1.00 0.00 C ATOM 0 H LEU A 52 -8.055 -5.544 -7.948 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.054 -5.119 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.271 -3.758 -6.578 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.698 -2.983 -7.237 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.117 -1.602 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.819 -1.888 -3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.480 -2.165 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.118 -3.547 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.427 -2.362 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.569 -4.053 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.356 -2.983 -4.516 1.00 0.00 H new ATOM 776 N SER A 53 -11.415 -5.194 -5.748 1.00 0.00 N ATOM 777 CA SER A 53 -12.848 -5.151 -5.984 1.00 0.00 C ATOM 778 C SER A 53 -13.546 -4.425 -4.833 1.00 0.00 C ATOM 779 O SER A 53 -13.737 -3.211 -4.885 1.00 0.00 O ATOM 780 CB SER A 53 -13.421 -6.559 -6.150 1.00 0.00 C ATOM 781 OG SER A 53 -14.837 -6.581 -5.994 1.00 0.00 O ATOM 0 H SER A 53 -11.142 -5.597 -4.851 1.00 0.00 H new ATOM 0 HA SER A 53 -13.026 -4.605 -6.910 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.159 -6.943 -7.136 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.965 -7.225 -5.417 1.00 0.00 H new ATOM 0 HG SER A 53 -15.165 -7.497 -6.109 1.00 0.00 H new ATOM 786 N PHE A 54 -13.910 -5.200 -3.823 1.00 0.00 N ATOM 787 CA PHE A 54 -14.585 -4.648 -2.660 1.00 0.00 C ATOM 788 C PHE A 54 -13.889 -3.372 -2.178 1.00 0.00 C ATOM 789 O PHE A 54 -14.393 -2.270 -2.385 1.00 0.00 O ATOM 790 CB PHE A 54 -14.510 -5.703 -1.555 1.00 0.00 C ATOM 791 CG PHE A 54 -14.978 -5.205 -0.186 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.294 -5.273 0.149 1.00 0.00 C ATOM 793 CD2 PHE A 54 -14.077 -4.693 0.695 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.728 -4.811 1.420 1.00 0.00 C ATOM 795 CE2 PHE A 54 -14.510 -4.230 1.966 1.00 0.00 C ATOM 796 CZ PHE A 54 -15.826 -4.299 2.301 1.00 0.00 C ATOM 0 H PHE A 54 -13.750 -6.207 -3.785 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.615 -4.397 -2.912 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.116 -6.561 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.481 -6.053 -1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.009 -5.678 -0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.032 -4.639 0.428 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.773 -4.866 1.687 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.795 -3.824 2.666 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.156 -3.947 3.267 1.00 0.00 H new ATOM 805 N MET A 55 -12.742 -3.566 -1.545 1.00 0.00 N ATOM 806 CA MET A 55 -11.971 -2.445 -1.032 1.00 0.00 C ATOM 807 C MET A 55 -12.893 -1.324 -0.545 1.00 0.00 C ATOM 808 O MET A 55 -13.228 -0.417 -1.306 1.00 0.00 O ATOM 809 CB MET A 55 -11.054 -1.910 -2.132 1.00 0.00 C ATOM 810 CG MET A 55 -10.840 -0.403 -1.983 1.00 0.00 C ATOM 811 SD MET A 55 -11.528 0.454 -3.390 1.00 0.00 S ATOM 812 CE MET A 55 -12.990 -0.532 -3.667 1.00 0.00 C ATOM 0 H MET A 55 -12.327 -4.482 -1.375 1.00 0.00 H new ATOM 0 HA MET A 55 -11.375 -2.793 -0.188 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.093 -2.423 -2.091 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.488 -2.124 -3.109 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.311 -0.050 -1.066 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.775 -0.185 -1.899 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.406 -0.298 -4.647 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.729 -1.589 -3.626 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.729 -0.311 -2.897 1.00 0.00 H new ATOM 820 N ASP A 56 -13.277 -1.424 0.718 1.00 0.00 N ATOM 821 CA ASP A 56 -14.153 -0.430 1.316 1.00 0.00 C ATOM 822 C ASP A 56 -13.326 0.506 2.200 1.00 0.00 C ATOM 823 O ASP A 56 -12.142 0.718 1.949 1.00 0.00 O ATOM 824 CB ASP A 56 -15.219 -1.089 2.192 1.00 0.00 C ATOM 825 CG ASP A 56 -16.545 -0.331 2.279 1.00 0.00 C ATOM 826 OD1 ASP A 56 -16.935 0.381 1.343 1.00 0.00 O ATOM 827 OD2 ASP A 56 -17.197 -0.497 3.379 1.00 0.00 O ATOM 0 H ASP A 56 -12.998 -2.178 1.345 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.639 0.119 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.415 -2.090 1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.818 -1.206 3.199 1.00 0.00 H new ATOM 832 N SER A 57 -13.985 1.040 3.218 1.00 0.00 N ATOM 833 CA SER A 57 -13.327 1.948 4.142 1.00 0.00 C ATOM 834 C SER A 57 -12.847 1.183 5.377 1.00 0.00 C ATOM 835 O SER A 57 -12.787 1.739 6.472 1.00 0.00 O ATOM 836 CB SER A 57 -14.260 3.088 4.553 1.00 0.00 C ATOM 837 OG SER A 57 -15.334 2.630 5.370 1.00 0.00 O ATOM 0 H SER A 57 -14.968 0.861 3.423 1.00 0.00 H new ATOM 0 HA SER A 57 -12.466 2.384 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.691 3.845 5.093 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.662 3.567 3.660 1.00 0.00 H new ATOM 0 HG SER A 57 -15.906 3.388 5.613 1.00 0.00 H new ATOM 842 N SER A 58 -12.518 -0.082 5.158 1.00 0.00 N ATOM 843 CA SER A 58 -12.046 -0.931 6.239 1.00 0.00 C ATOM 844 C SER A 58 -10.517 -0.929 6.275 1.00 0.00 C ATOM 845 O SER A 58 -9.917 -0.722 7.329 1.00 0.00 O ATOM 846 CB SER A 58 -12.572 -2.359 6.089 1.00 0.00 C ATOM 847 OG SER A 58 -13.757 -2.411 5.297 1.00 0.00 O ATOM 0 H SER A 58 -12.569 -0.539 4.248 1.00 0.00 H new ATOM 0 HA SER A 58 -12.426 -0.531 7.179 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.803 -2.983 5.633 1.00 0.00 H new ATOM 0 HB3 SER A 58 -12.776 -2.776 7.075 1.00 0.00 H new ATOM 0 HG SER A 58 -14.061 -3.340 5.223 1.00 0.00 H new ATOM 852 N GLY A 59 -9.928 -1.163 5.111 1.00 0.00 N ATOM 853 CA GLY A 59 -8.481 -1.192 4.996 1.00 0.00 C ATOM 854 C GLY A 59 -7.935 0.179 4.591 1.00 0.00 C ATOM 855 O GLY A 59 -6.726 0.403 4.618 1.00 0.00 O ATOM 0 H GLY A 59 -10.428 -1.334 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.043 -1.495 5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.186 -1.937 4.257 1.00 0.00 H new ATOM 859 N LEU A 60 -8.853 1.060 4.223 1.00 0.00 N ATOM 860 CA LEU A 60 -8.480 2.403 3.813 1.00 0.00 C ATOM 861 C LEU A 60 -7.536 3.007 4.855 1.00 0.00 C ATOM 862 O LEU A 60 -6.537 3.633 4.504 1.00 0.00 O ATOM 863 CB LEU A 60 -9.727 3.249 3.550 1.00 0.00 C ATOM 864 CG LEU A 60 -9.651 4.204 2.357 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.026 5.541 2.763 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.911 3.559 1.184 1.00 0.00 C ATOM 0 H LEU A 60 -9.855 0.870 4.200 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.937 2.375 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.572 2.577 3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.940 3.834 4.445 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.667 4.412 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.984 6.201 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.631 6.004 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.017 5.372 3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.871 4.259 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.897 3.302 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.437 2.655 0.875 1.00 0.00 H new ATOM 877 N GLY A 61 -7.886 2.798 6.116 1.00 0.00 N ATOM 878 CA GLY A 61 -7.082 3.313 7.211 1.00 0.00 C ATOM 879 C GLY A 61 -5.891 2.396 7.495 1.00 0.00 C ATOM 880 O GLY A 61 -4.822 2.864 7.885 1.00 0.00 O ATOM 0 H GLY A 61 -8.716 2.279 6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.725 4.313 6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.697 3.405 8.106 1.00 0.00 H new ATOM 884 N VAL A 62 -6.116 1.107 7.291 1.00 0.00 N ATOM 885 CA VAL A 62 -5.075 0.119 7.521 1.00 0.00 C ATOM 886 C VAL A 62 -3.919 0.368 6.551 1.00 0.00 C ATOM 887 O VAL A 62 -2.780 -0.008 6.827 1.00 0.00 O ATOM 888 CB VAL A 62 -5.657 -1.291 7.408 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.230 -1.957 6.098 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.260 -2.147 8.613 1.00 0.00 C ATOM 0 H VAL A 62 -7.004 0.723 6.969 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.677 0.212 8.532 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.744 -1.205 7.402 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.657 -2.958 6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.585 -1.364 5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.143 -2.024 6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.687 -3.144 8.507 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.174 -2.221 8.665 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.636 -1.686 9.526 1.00 0.00 H new ATOM 900 N ILE A 63 -4.250 1.001 5.435 1.00 0.00 N ATOM 901 CA ILE A 63 -3.254 1.305 4.423 1.00 0.00 C ATOM 902 C ILE A 63 -2.604 2.653 4.741 1.00 0.00 C ATOM 903 O ILE A 63 -1.412 2.843 4.504 1.00 0.00 O ATOM 904 CB ILE A 63 -3.870 1.234 3.025 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.734 -0.171 2.435 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.273 2.303 2.107 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.105 -0.760 2.098 1.00 0.00 C ATOM 0 H ILE A 63 -5.195 1.312 5.210 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.461 0.558 4.434 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.936 1.444 3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.119 -0.133 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.220 -0.819 3.145 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.728 2.230 1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.468 3.291 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.197 2.150 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.979 -1.759 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.708 -0.819 3.004 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.606 -0.123 1.369 1.00 0.00 H new ATOM 918 N LEU A 64 -3.416 3.554 5.273 1.00 0.00 N ATOM 919 CA LEU A 64 -2.936 4.880 5.626 1.00 0.00 C ATOM 920 C LEU A 64 -1.931 4.764 6.773 1.00 0.00 C ATOM 921 O LEU A 64 -0.890 5.419 6.760 1.00 0.00 O ATOM 922 CB LEU A 64 -4.111 5.813 5.928 1.00 0.00 C ATOM 923 CG LEU A 64 -4.159 7.113 5.124 1.00 0.00 C ATOM 924 CD1 LEU A 64 -5.077 6.972 3.908 1.00 0.00 C ATOM 925 CD2 LEU A 64 -4.562 8.292 6.011 1.00 0.00 C ATOM 0 H LEU A 64 -4.404 3.392 5.469 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.410 5.332 4.785 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.038 5.266 5.753 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.086 6.065 6.988 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.156 7.319 4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.093 7.910 3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.706 6.176 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.086 6.729 4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.588 9.204 5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.549 8.107 6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.836 8.406 6.816 1.00 0.00 H new ATOM 936 N GLY A 65 -2.278 3.926 7.739 1.00 0.00 N ATOM 937 CA GLY A 65 -1.419 3.716 8.893 1.00 0.00 C ATOM 938 C GLY A 65 -0.024 3.263 8.462 1.00 0.00 C ATOM 939 O GLY A 65 0.947 3.451 9.192 1.00 0.00 O ATOM 0 H GLY A 65 -3.142 3.384 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.344 4.639 9.468 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.862 2.967 9.549 1.00 0.00 H new ATOM 943 N ARG A 66 0.032 2.675 7.275 1.00 0.00 N ATOM 944 CA ARG A 66 1.294 2.194 6.738 1.00 0.00 C ATOM 945 C ARG A 66 2.092 3.352 6.135 1.00 0.00 C ATOM 946 O ARG A 66 3.309 3.421 6.294 1.00 0.00 O ATOM 947 CB ARG A 66 1.064 1.128 5.663 1.00 0.00 C ATOM 948 CG ARG A 66 1.598 -0.231 6.116 1.00 0.00 C ATOM 949 CD ARG A 66 3.128 -0.250 6.108 1.00 0.00 C ATOM 950 NE ARG A 66 3.616 -1.493 5.468 1.00 0.00 N ATOM 951 CZ ARG A 66 3.509 -1.758 4.149 1.00 0.00 C ATOM 952 NH1 ARG A 66 2.930 -0.867 3.317 1.00 0.00 N ATOM 953 NH2 ARG A 66 3.980 -2.900 3.686 1.00 0.00 N ATOM 0 H ARG A 66 -0.775 2.521 6.671 1.00 0.00 H new ATOM 0 HA ARG A 66 1.856 1.751 7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.001 1.050 5.445 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.557 1.427 4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.233 -0.453 7.119 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.218 -1.013 5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.508 0.619 5.570 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.506 -0.184 7.128 1.00 0.00 H new ATOM 0 HE ARG A 66 4.061 -2.193 6.061 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.570 0.014 3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.853 -1.074 2.321 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.417 -3.567 4.322 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.907 -3.116 2.692 1.00 0.00 H new ATOM 963 N TYR A 67 1.372 4.234 5.457 1.00 0.00 N ATOM 964 CA TYR A 67 1.996 5.386 4.830 1.00 0.00 C ATOM 965 C TYR A 67 2.774 6.213 5.855 1.00 0.00 C ATOM 966 O TYR A 67 3.892 6.651 5.585 1.00 0.00 O ATOM 967 CB TYR A 67 0.852 6.234 4.271 1.00 0.00 C ATOM 968 CG TYR A 67 1.170 6.901 2.931 1.00 0.00 C ATOM 969 CD1 TYR A 67 0.924 6.230 1.750 1.00 0.00 C ATOM 970 CD2 TYR A 67 1.702 8.174 2.903 1.00 0.00 C ATOM 971 CE1 TYR A 67 1.224 6.859 0.489 1.00 0.00 C ATOM 972 CE2 TYR A 67 2.000 8.803 1.642 1.00 0.00 C ATOM 973 CZ TYR A 67 1.747 8.114 0.498 1.00 0.00 C ATOM 974 OH TYR A 67 2.028 8.706 -0.693 1.00 0.00 O ATOM 0 H TYR A 67 0.362 4.174 5.328 1.00 0.00 H new ATOM 0 HA TYR A 67 2.697 5.070 4.058 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.029 5.604 4.152 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.596 7.005 4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.507 5.234 1.771 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.895 8.699 3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.038 6.345 -0.442 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.415 9.799 1.606 1.00 0.00 H new ATOM 0 HH TYR A 67 2.804 8.268 -1.101 1.00 0.00 H new ATOM 983 N LYS A 68 2.154 6.403 7.010 1.00 0.00 N ATOM 984 CA LYS A 68 2.774 7.169 8.076 1.00 0.00 C ATOM 985 C LYS A 68 3.682 6.251 8.897 1.00 0.00 C ATOM 986 O LYS A 68 4.185 6.646 9.948 1.00 0.00 O ATOM 987 CB LYS A 68 1.710 7.885 8.911 1.00 0.00 C ATOM 988 CG LYS A 68 0.599 8.445 8.019 1.00 0.00 C ATOM 989 CD LYS A 68 1.079 9.680 7.255 1.00 0.00 C ATOM 990 CE LYS A 68 0.688 10.964 7.989 1.00 0.00 C ATOM 991 NZ LYS A 68 1.039 12.152 7.177 1.00 0.00 N ATOM 0 H LYS A 68 1.227 6.039 7.231 1.00 0.00 H new ATOM 0 HA LYS A 68 3.405 7.955 7.661 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.284 7.192 9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.171 8.695 9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.274 7.680 7.314 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.266 8.704 8.629 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.162 9.640 7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.648 9.683 6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.382 10.960 8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.198 11.010 8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.474 12.967 7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.050 12.366 7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.840 11.959 6.175 1.00 0.00 H new ATOM 1000 N GLN A 69 3.865 5.043 8.386 1.00 0.00 N ATOM 1001 CA GLN A 69 4.704 4.065 9.059 1.00 0.00 C ATOM 1002 C GLN A 69 6.047 3.932 8.337 1.00 0.00 C ATOM 1003 O GLN A 69 7.101 3.949 8.972 1.00 0.00 O ATOM 1004 CB GLN A 69 3.999 2.711 9.155 1.00 0.00 C ATOM 1005 CG GLN A 69 3.888 2.253 10.611 1.00 0.00 C ATOM 1006 CD GLN A 69 2.667 2.876 11.291 1.00 0.00 C ATOM 1007 OE1 GLN A 69 1.561 2.365 11.229 1.00 0.00 O ATOM 1008 NE2 GLN A 69 2.929 4.007 11.941 1.00 0.00 N ATOM 0 H GLN A 69 3.447 4.719 7.514 1.00 0.00 H new ATOM 0 HA GLN A 69 4.891 4.414 10.075 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.004 2.783 8.716 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.549 1.968 8.577 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.815 1.166 10.649 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.792 2.531 11.153 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.878 4.380 11.953 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.181 4.501 12.427 1.00 0.00 H new ATOM 1090 N GLY A 75 11.464 5.950 4.996 1.00 0.00 N ATOM 1091 CA GLY A 75 11.277 5.443 3.647 1.00 0.00 C ATOM 1092 C GLY A 75 10.128 6.168 2.944 1.00 0.00 C ATOM 1093 O GLY A 75 9.930 7.366 3.141 1.00 0.00 O ATOM 0 HA2 GLY A 75 12.196 5.571 3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.070 4.373 3.682 1.00 0.00 H new ATOM 1097 N GLU A 76 9.399 5.411 2.136 1.00 0.00 N ATOM 1098 CA GLU A 76 8.274 5.965 1.402 1.00 0.00 C ATOM 1099 C GLU A 76 7.216 4.887 1.157 1.00 0.00 C ATOM 1100 O GLU A 76 7.550 3.720 0.957 1.00 0.00 O ATOM 1101 CB GLU A 76 8.735 6.592 0.086 1.00 0.00 C ATOM 1102 CG GLU A 76 10.242 6.856 0.101 1.00 0.00 C ATOM 1103 CD GLU A 76 10.566 8.139 0.868 1.00 0.00 C ATOM 1104 OE1 GLU A 76 9.702 9.020 0.996 1.00 0.00 O ATOM 1105 OE2 GLU A 76 11.764 8.203 1.341 1.00 0.00 O ATOM 0 H GLU A 76 9.566 4.418 1.974 1.00 0.00 H new ATOM 0 HA GLU A 76 7.825 6.754 2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.487 5.929 -0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.200 7.527 -0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.758 6.013 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.611 6.936 -0.922 1.00 0.00 H new ATOM 1111 N MET A 77 5.963 5.317 1.180 1.00 0.00 N ATOM 1112 CA MET A 77 4.855 4.403 0.963 1.00 0.00 C ATOM 1113 C MET A 77 4.141 4.709 -0.355 1.00 0.00 C ATOM 1114 O MET A 77 3.702 5.836 -0.580 1.00 0.00 O ATOM 1115 CB MET A 77 3.861 4.521 2.120 1.00 0.00 C ATOM 1116 CG MET A 77 3.608 3.157 2.767 1.00 0.00 C ATOM 1117 SD MET A 77 2.425 2.233 1.799 1.00 0.00 S ATOM 1118 CE MET A 77 0.906 2.797 2.546 1.00 0.00 C ATOM 0 H MET A 77 5.691 6.286 1.346 1.00 0.00 H new ATOM 0 HA MET A 77 5.251 3.389 0.914 1.00 0.00 H new ATOM 0 HB2 MET A 77 4.247 5.216 2.866 1.00 0.00 H new ATOM 0 HB3 MET A 77 2.921 4.935 1.756 1.00 0.00 H new ATOM 0 HG2 MET A 77 4.543 2.601 2.841 1.00 0.00 H new ATOM 0 HG3 MET A 77 3.235 3.290 3.782 1.00 0.00 H new ATOM 0 HE1 MET A 77 0.503 2.013 3.187 1.00 0.00 H new ATOM 0 HE2 MET A 77 1.103 3.688 3.142 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.183 3.035 1.766 1.00 0.00 H new ATOM 1126 N VAL A 78 4.049 3.687 -1.194 1.00 0.00 N ATOM 1127 CA VAL A 78 3.398 3.833 -2.484 1.00 0.00 C ATOM 1128 C VAL A 78 2.349 2.731 -2.648 1.00 0.00 C ATOM 1129 O VAL A 78 2.448 1.676 -2.023 1.00 0.00 O ATOM 1130 CB VAL A 78 4.442 3.836 -3.601 1.00 0.00 C ATOM 1131 CG1 VAL A 78 3.789 4.076 -4.963 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.536 4.871 -3.327 1.00 0.00 C ATOM 0 H VAL A 78 4.415 2.754 -1.005 1.00 0.00 H new ATOM 0 HA VAL A 78 2.878 4.789 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 78 4.910 2.852 -3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.554 4.073 -5.739 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.066 3.286 -5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.281 5.040 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.266 4.852 -4.137 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.090 5.864 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.032 4.635 -2.386 1.00 0.00 H new ATOM 1142 N VAL A 79 1.368 3.014 -3.492 1.00 0.00 N ATOM 1143 CA VAL A 79 0.302 2.059 -3.746 1.00 0.00 C ATOM 1144 C VAL A 79 -0.275 2.306 -5.142 1.00 0.00 C ATOM 1145 O VAL A 79 -0.593 3.441 -5.495 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.752 2.144 -2.640 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.385 3.537 -2.593 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.818 1.062 -2.816 1.00 0.00 C ATOM 0 H VAL A 79 1.289 3.890 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 79 0.689 1.040 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.254 1.971 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.131 3.571 -1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.613 4.281 -2.398 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.863 3.752 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.555 1.144 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.311 1.190 -3.780 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.349 0.079 -2.777 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.392 1.225 -5.899 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.925 1.309 -7.248 1.00 0.00 C ATOM 1160 C CYS A 80 -1.851 0.112 -7.475 1.00 0.00 C ATOM 1161 O CYS A 80 -2.208 -0.589 -6.530 1.00 0.00 O ATOM 1162 CB CYS A 80 0.190 1.375 -8.294 1.00 0.00 C ATOM 1163 SG CYS A 80 0.848 -0.302 -8.614 1.00 0.00 S ATOM 0 H CYS A 80 -0.127 0.286 -5.603 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.493 2.232 -7.360 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.193 1.807 -9.219 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.990 2.028 -7.944 1.00 0.00 H new ATOM 0 HG CYS A 80 1.792 -0.235 -9.505 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.212 -0.085 -8.734 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.089 -1.185 -9.097 1.00 0.00 C ATOM 1170 C ALA A 81 -4.536 -0.804 -8.780 1.00 0.00 C ATOM 1171 O ALA A 81 -5.391 -1.675 -8.627 1.00 0.00 O ATOM 1172 CB ALA A 81 -2.646 -2.454 -8.366 1.00 0.00 C ATOM 0 H ALA A 81 -1.913 0.498 -9.516 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.029 -1.387 -10.166 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.304 -3.279 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.622 -2.698 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.696 -2.290 -7.290 1.00 0.00 H new ATOM 1178 N ILE A 82 -4.766 0.498 -8.691 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.095 1.004 -8.394 1.00 0.00 C ATOM 1180 C ILE A 82 -7.030 0.682 -9.561 1.00 0.00 C ATOM 1181 O ILE A 82 -6.797 -0.269 -10.304 1.00 0.00 O ATOM 1182 CB ILE A 82 -6.035 2.493 -8.046 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -7.100 2.856 -7.009 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -6.144 3.355 -9.306 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.580 2.633 -5.588 1.00 0.00 C ATOM 0 H ILE A 82 -4.054 1.217 -8.819 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.503 0.510 -7.512 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.064 2.701 -7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.393 3.898 -7.133 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.993 2.252 -7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.099 4.409 -9.031 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.320 3.120 -9.980 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.091 3.151 -9.806 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.356 2.899 -4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.310 1.585 -5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.702 3.257 -5.420 1.00 0.00 H new ATOM 1196 N SER A 83 -8.070 1.494 -9.685 1.00 0.00 N ATOM 1197 CA SER A 83 -9.043 1.308 -10.749 1.00 0.00 C ATOM 1198 C SER A 83 -10.065 2.445 -10.729 1.00 0.00 C ATOM 1199 O SER A 83 -10.037 3.294 -9.839 1.00 0.00 O ATOM 1200 CB SER A 83 -9.749 -0.044 -10.619 1.00 0.00 C ATOM 1201 OG SER A 83 -11.097 0.099 -10.177 1.00 0.00 O ATOM 0 H SER A 83 -8.260 2.282 -9.066 1.00 0.00 H new ATOM 0 HA SER A 83 -8.514 1.321 -11.702 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.735 -0.555 -11.582 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.202 -0.673 -9.917 1.00 0.00 H new ATOM 0 HG SER A 83 -11.514 -0.785 -10.108 1.00 0.00 H new ATOM 1206 N PRO A 84 -10.967 2.426 -11.747 1.00 0.00 N ATOM 1207 CA PRO A 84 -11.996 3.446 -11.854 1.00 0.00 C ATOM 1208 C PRO A 84 -13.103 3.218 -10.823 1.00 0.00 C ATOM 1209 O PRO A 84 -13.994 4.052 -10.669 1.00 0.00 O ATOM 1210 CB PRO A 84 -12.492 3.354 -13.288 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.056 1.989 -13.794 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.030 1.436 -12.819 1.00 0.00 C ATOM 0 HA PRO A 84 -11.621 4.447 -11.639 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.576 3.459 -13.334 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.068 4.151 -13.900 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -12.912 1.318 -13.868 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -11.628 2.071 -14.793 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.331 0.460 -12.439 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.059 1.307 -13.297 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.011 2.085 -10.144 1.00 0.00 N ATOM 1218 CA ALA A 85 -13.994 1.736 -9.132 1.00 0.00 C ATOM 1219 C ALA A 85 -13.274 1.361 -7.835 1.00 0.00 C ATOM 1220 O ALA A 85 -13.737 0.498 -7.091 1.00 0.00 O ATOM 1221 CB ALA A 85 -14.884 0.605 -9.652 1.00 0.00 C ATOM 0 H ALA A 85 -12.270 1.396 -10.274 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.640 2.587 -8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -15.621 0.344 -8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.396 0.932 -10.557 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.270 -0.267 -9.877 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.153 2.028 -7.604 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.364 1.776 -6.410 1.00 0.00 C ATOM 1229 C VAL A 86 -10.687 3.075 -5.968 1.00 0.00 C ATOM 1230 O VAL A 86 -10.554 3.334 -4.773 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.370 0.641 -6.670 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.171 0.737 -5.725 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.053 -0.722 -6.553 1.00 0.00 C ATOM 0 H VAL A 86 -11.772 2.743 -8.224 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.004 1.448 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.001 0.744 -7.691 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.480 -0.080 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.663 1.689 -5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.515 0.671 -4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.325 -1.511 -6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.462 -0.839 -5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -11.859 -0.789 -7.284 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.275 3.856 -6.956 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.615 5.121 -6.683 1.00 0.00 C ATOM 1245 C LYS A 87 -10.658 6.154 -6.252 1.00 0.00 C ATOM 1246 O LYS A 87 -10.310 7.263 -5.850 1.00 0.00 O ATOM 1247 CB LYS A 87 -8.778 5.559 -7.887 1.00 0.00 C ATOM 1248 CG LYS A 87 -9.400 6.776 -8.574 1.00 0.00 C ATOM 1249 CD LYS A 87 -8.568 7.207 -9.784 1.00 0.00 C ATOM 1250 CE LYS A 87 -9.129 8.487 -10.407 1.00 0.00 C ATOM 1251 NZ LYS A 87 -8.058 9.245 -11.091 1.00 0.00 N ATOM 0 H LYS A 87 -10.386 3.637 -7.946 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.912 5.013 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.765 5.798 -7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.699 4.737 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.415 6.539 -8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.472 7.601 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.534 7.369 -9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.560 6.410 -10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.916 8.237 -11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.583 9.106 -9.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.457 10.110 -11.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.320 9.500 -10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.643 8.658 -11.843 1.00 0.00 H new ATOM 1260 N ARG A 88 -11.917 5.753 -6.349 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.013 6.629 -5.974 1.00 0.00 C ATOM 1262 C ARG A 88 -13.124 6.718 -4.451 1.00 0.00 C ATOM 1263 O ARG A 88 -13.770 7.623 -3.924 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.341 6.126 -6.546 1.00 0.00 C ATOM 1265 CG ARG A 88 -14.341 4.602 -6.674 1.00 0.00 C ATOM 1266 CD ARG A 88 -13.955 3.941 -5.349 1.00 0.00 C ATOM 1267 NE ARG A 88 -14.673 2.656 -5.197 1.00 0.00 N ATOM 1268 CZ ARG A 88 -15.990 2.554 -4.920 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.745 3.662 -4.763 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -16.529 1.353 -4.805 1.00 0.00 N ATOM 0 H ARG A 88 -12.202 4.832 -6.682 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.803 7.616 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.161 6.440 -5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.514 6.577 -7.523 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.329 4.259 -6.981 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.642 4.299 -7.453 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.879 3.772 -5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.198 4.603 -4.518 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.139 1.794 -5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.321 4.585 -4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.740 3.576 -4.554 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.951 0.521 -4.925 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.523 1.258 -4.596 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.483 5.768 -3.786 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.501 5.729 -2.334 1.00 0.00 C ATOM 1282 C LEU A 89 -11.658 6.882 -1.786 1.00 0.00 C ATOM 1283 O LEU A 89 -12.074 7.573 -0.858 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.063 4.352 -1.830 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.149 3.502 -1.168 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.539 2.312 -0.426 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -14.032 4.355 -0.255 1.00 0.00 C ATOM 0 H LEU A 89 -11.948 5.019 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.515 5.871 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.654 3.792 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.252 4.490 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.790 3.098 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.333 1.725 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.988 1.688 -1.130 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.860 2.674 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.796 3.727 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.419 4.808 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.511 5.139 -0.841 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.486 7.051 -2.382 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.581 8.109 -1.965 1.00 0.00 C ATOM 1300 C PHE A 90 -9.915 9.426 -2.669 1.00 0.00 C ATOM 1301 O PHE A 90 -9.549 10.499 -2.192 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.170 7.673 -2.367 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.831 6.232 -1.982 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.209 5.204 -2.789 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.151 5.977 -0.831 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -7.893 3.868 -2.432 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.836 4.641 -0.474 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.214 3.614 -1.281 1.00 0.00 C ATOM 0 H PHE A 90 -10.143 6.474 -3.150 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.667 8.271 -0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.059 7.786 -3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.447 8.342 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.750 5.405 -3.702 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.851 6.792 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.192 3.052 -3.074 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.296 4.439 0.439 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.975 2.597 -1.008 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.606 9.301 -3.793 1.00 0.00 N ATOM 1318 CA ASP A 91 -10.993 10.468 -4.566 1.00 0.00 C ATOM 1319 C ASP A 91 -12.073 11.242 -3.808 1.00 0.00 C ATOM 1320 O ASP A 91 -12.122 12.470 -3.872 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.569 10.062 -5.925 1.00 0.00 C ATOM 1322 CG ASP A 91 -10.862 10.673 -7.136 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -9.707 11.116 -7.045 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.556 10.686 -8.224 1.00 0.00 O ATOM 0 H ASP A 91 -10.907 8.409 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.105 11.081 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.529 8.976 -6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.621 10.346 -5.956 1.00 0.00 H new ATOM 1329 N MET A 92 -12.911 10.494 -3.106 1.00 0.00 N ATOM 1330 CA MET A 92 -13.986 11.095 -2.336 1.00 0.00 C ATOM 1331 C MET A 92 -13.470 11.632 -0.999 1.00 0.00 C ATOM 1332 O MET A 92 -13.942 12.660 -0.516 1.00 0.00 O ATOM 1333 CB MET A 92 -15.075 10.052 -2.080 1.00 0.00 C ATOM 1334 CG MET A 92 -16.181 10.621 -1.189 1.00 0.00 C ATOM 1335 SD MET A 92 -17.165 9.294 -0.514 1.00 0.00 S ATOM 1336 CE MET A 92 -18.185 10.213 0.627 1.00 0.00 C ATOM 0 H MET A 92 -12.867 9.476 -3.054 1.00 0.00 H new ATOM 0 HA MET A 92 -14.395 11.928 -2.908 1.00 0.00 H new ATOM 0 HB2 MET A 92 -15.500 9.724 -3.029 1.00 0.00 H new ATOM 0 HB3 MET A 92 -14.638 9.173 -1.606 1.00 0.00 H new ATOM 0 HG2 MET A 92 -15.743 11.207 -0.381 1.00 0.00 H new ATOM 0 HG3 MET A 92 -16.813 11.296 -1.766 1.00 0.00 H new ATOM 0 HE1 MET A 92 -18.864 9.531 1.138 1.00 0.00 H new ATOM 0 HE2 MET A 92 -17.552 10.712 1.361 1.00 0.00 H new ATOM 0 HE3 MET A 92 -18.763 10.958 0.080 1.00 0.00 H new ATOM 1344 N SER A 93 -12.506 10.914 -0.442 1.00 0.00 N ATOM 1345 CA SER A 93 -11.921 11.304 0.829 1.00 0.00 C ATOM 1346 C SER A 93 -11.125 12.601 0.661 1.00 0.00 C ATOM 1347 O SER A 93 -11.374 13.581 1.362 1.00 0.00 O ATOM 1348 CB SER A 93 -11.022 10.198 1.385 1.00 0.00 C ATOM 1349 OG SER A 93 -11.303 9.920 2.754 1.00 0.00 O ATOM 0 H SER A 93 -12.115 10.064 -0.848 1.00 0.00 H new ATOM 0 HA SER A 93 -12.729 11.469 1.541 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.156 9.291 0.796 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.978 10.493 1.282 1.00 0.00 H new ATOM 0 HG SER A 93 -10.710 9.208 3.072 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.185 12.564 -0.272 1.00 0.00 N ATOM 1355 CA GLY A 94 -9.352 13.724 -0.541 1.00 0.00 C ATOM 1356 C GLY A 94 -7.960 13.552 0.070 1.00 0.00 C ATOM 1357 O GLY A 94 -7.052 14.333 -0.215 1.00 0.00 O ATOM 0 H GLY A 94 -9.982 11.749 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.265 13.872 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.824 14.618 -0.133 1.00 0.00 H new ATOM 1361 N LEU A 95 -7.834 12.525 0.899 1.00 0.00 N ATOM 1362 CA LEU A 95 -6.568 12.242 1.551 1.00 0.00 C ATOM 1363 C LEU A 95 -5.709 11.372 0.631 1.00 0.00 C ATOM 1364 O LEU A 95 -4.662 10.874 1.042 1.00 0.00 O ATOM 1365 CB LEU A 95 -6.804 11.628 2.933 1.00 0.00 C ATOM 1366 CG LEU A 95 -5.718 11.893 3.978 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.137 13.299 3.823 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.245 11.644 5.393 1.00 0.00 C ATOM 0 H LEU A 95 -8.588 11.880 1.133 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.015 13.165 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.751 12.004 3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.913 10.550 2.816 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.904 11.188 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.368 13.460 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.699 13.404 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.930 14.036 3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.453 11.840 6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.088 12.307 5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.570 10.608 5.483 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.183 11.215 -0.596 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.471 10.415 -1.577 1.00 0.00 C ATOM 1381 C PHE A 96 -3.993 10.806 -1.635 1.00 0.00 C ATOM 1382 O PHE A 96 -3.132 9.957 -1.857 1.00 0.00 O ATOM 1383 CB PHE A 96 -6.115 10.696 -2.936 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.378 9.442 -3.773 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.740 8.280 -3.472 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.249 9.490 -4.816 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -5.983 7.116 -4.248 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.492 8.326 -5.592 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.853 7.164 -5.292 1.00 0.00 C ATOM 0 H PHE A 96 -7.052 11.629 -0.933 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.529 9.360 -1.310 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -7.058 11.219 -2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.469 11.368 -3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.049 8.242 -2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.756 10.413 -5.054 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.477 6.192 -4.009 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.184 8.364 -6.420 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.036 6.279 -5.883 1.00 0.00 H new ATOM 1398 N LYS A 97 -3.746 12.091 -1.433 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.386 12.605 -1.460 1.00 0.00 C ATOM 1400 C LYS A 97 -1.579 11.958 -0.334 1.00 0.00 C ATOM 1401 O LYS A 97 -0.351 11.922 -0.387 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.391 14.134 -1.414 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.303 14.713 -2.497 1.00 0.00 C ATOM 1404 CD LYS A 97 -3.353 16.241 -2.415 1.00 0.00 C ATOM 1405 CE LYS A 97 -4.734 16.720 -1.963 1.00 0.00 C ATOM 1406 NZ LYS A 97 -4.679 17.226 -0.574 1.00 0.00 N ATOM 0 H LYS A 97 -4.464 12.792 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.896 12.339 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.727 14.471 -0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.376 14.509 -1.550 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.943 14.410 -3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.308 14.306 -2.386 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.594 16.597 -1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.116 16.669 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.088 17.507 -2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.449 15.900 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.625 17.547 -0.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.362 16.465 0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.012 18.022 -0.521 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.301 11.463 0.660 1.00 0.00 N ATOM 1416 CA ILE A 98 -1.667 10.818 1.798 1.00 0.00 C ATOM 1417 C ILE A 98 -1.351 9.364 1.444 1.00 0.00 C ATOM 1418 O ILE A 98 -0.605 8.696 2.158 1.00 0.00 O ATOM 1419 CB ILE A 98 -2.532 10.972 3.051 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -1.714 11.533 4.216 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.214 9.650 3.412 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -1.680 10.548 5.386 1.00 0.00 C ATOM 0 H ILE A 98 -3.320 11.495 0.701 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.719 11.303 2.031 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.321 11.693 2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -0.698 11.743 3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.144 12.479 4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -3.823 9.787 4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.849 9.331 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.456 8.890 3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.092 10.971 6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.696 10.359 5.732 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.227 9.612 5.060 1.00 0.00 H new ATOM 1433 N ILE A 99 -1.933 8.916 0.340 1.00 0.00 N ATOM 1434 CA ILE A 99 -1.722 7.554 -0.117 1.00 0.00 C ATOM 1435 C ILE A 99 -1.025 7.580 -1.479 1.00 0.00 C ATOM 1436 O ILE A 99 -0.524 6.557 -1.944 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.041 6.777 -0.115 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -3.563 6.589 1.310 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -2.894 5.446 -0.854 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -2.529 5.875 2.184 1.00 0.00 C ATOM 0 H ILE A 99 -2.550 9.473 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.064 7.020 0.568 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.785 7.363 -0.655 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.803 7.560 1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.487 6.012 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.845 4.914 -0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.601 5.634 -1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.131 4.840 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.926 5.754 3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.309 4.895 1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.614 6.467 2.223 1.00 0.00 H new ATOM 1451 N ARG A 100 -1.016 8.760 -2.081 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.389 8.933 -3.380 1.00 0.00 C ATOM 1453 C ARG A 100 -0.524 7.653 -4.208 1.00 0.00 C ATOM 1454 O ARG A 100 0.343 6.782 -4.158 1.00 0.00 O ATOM 1455 CB ARG A 100 1.093 9.284 -3.234 1.00 0.00 C ATOM 1456 CG ARG A 100 1.275 10.557 -2.406 1.00 0.00 C ATOM 1457 CD ARG A 100 2.754 10.942 -2.312 1.00 0.00 C ATOM 1458 NE ARG A 100 3.011 11.652 -1.039 1.00 0.00 N ATOM 1459 CZ ARG A 100 4.167 12.286 -0.746 1.00 0.00 C ATOM 1460 NH1 ARG A 100 5.183 12.303 -1.634 1.00 0.00 N ATOM 1461 NH2 ARG A 100 4.289 12.888 0.423 1.00 0.00 N ATOM 0 H ARG A 100 -1.433 9.606 -1.693 1.00 0.00 H new ATOM 0 HA ARG A 100 -0.896 9.754 -3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.621 8.458 -2.758 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.537 9.420 -4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.711 11.373 -2.858 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.870 10.405 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.376 10.049 -2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.027 11.578 -3.154 1.00 0.00 H new ATOM 0 HE ARG A 100 2.269 11.663 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.081 11.835 -2.534 1.00 0.00 H new ATOM 0 HH12 ARG A 100 6.053 12.784 -1.405 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.517 12.870 1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 100 5.155 13.371 0.660 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.618 7.581 -4.953 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.877 6.422 -5.791 1.00 0.00 C ATOM 1473 C PHE A 101 -1.631 6.747 -7.266 1.00 0.00 C ATOM 1474 O PHE A 101 -1.368 7.896 -7.617 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.349 6.053 -5.601 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.579 4.592 -5.213 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.524 3.619 -6.163 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.839 4.264 -3.918 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.737 2.262 -5.802 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -4.052 2.907 -3.558 1.00 0.00 C ATOM 1481 CZ PHE A 101 -3.997 1.934 -4.508 1.00 0.00 C ATOM 0 H PHE A 101 -2.335 8.306 -4.994 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.213 5.604 -5.511 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.777 6.694 -4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.888 6.262 -6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.318 3.879 -7.191 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.883 5.036 -3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.692 1.490 -6.556 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.258 2.647 -2.530 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.160 0.902 -4.234 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.727 5.714 -8.090 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.519 5.875 -9.519 1.00 0.00 C ATOM 1492 C GLU A 102 -2.244 4.770 -10.288 1.00 0.00 C ATOM 1493 O GLU A 102 -3.319 4.330 -9.885 1.00 0.00 O ATOM 1494 CB GLU A 102 -0.026 5.890 -9.857 1.00 0.00 C ATOM 1495 CG GLU A 102 0.295 6.990 -10.871 1.00 0.00 C ATOM 1496 CD GLU A 102 -0.824 7.124 -11.906 1.00 0.00 C ATOM 1497 OE1 GLU A 102 -0.921 6.298 -12.825 1.00 0.00 O ATOM 1498 OE2 GLU A 102 -1.611 8.132 -11.730 1.00 0.00 O ATOM 0 H GLU A 102 -1.946 4.762 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.936 6.835 -9.822 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.555 6.047 -8.948 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.269 4.921 -10.260 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.431 7.939 -10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 102 1.235 6.763 -11.374 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.626 4.352 -11.384 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.200 3.306 -12.215 1.00 0.00 C ATOM 1506 C GLN A 103 -1.102 2.600 -13.012 1.00 0.00 C ATOM 1507 O GLN A 103 -0.678 3.088 -14.058 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.276 3.872 -13.144 1.00 0.00 C ATOM 1509 CG GLN A 103 -4.430 4.475 -12.343 1.00 0.00 C ATOM 1510 CD GLN A 103 -5.547 4.959 -13.270 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -5.511 4.776 -14.476 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -6.539 5.584 -12.642 1.00 0.00 N ATOM 0 H GLN A 103 -0.734 4.719 -11.716 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.678 2.573 -11.565 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.840 4.634 -13.790 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.653 3.082 -13.793 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.824 3.731 -11.650 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.064 5.308 -11.743 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.507 5.703 -11.630 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.332 5.944 -13.173 1.00 0.00 H new ATOM 1519 N SER A 104 -0.673 1.461 -12.488 1.00 0.00 N ATOM 1520 CA SER A 104 0.368 0.683 -13.138 1.00 0.00 C ATOM 1521 C SER A 104 1.589 1.564 -13.406 1.00 0.00 C ATOM 1522 O SER A 104 2.670 1.311 -12.877 1.00 0.00 O ATOM 1523 CB SER A 104 -0.140 0.066 -14.443 1.00 0.00 C ATOM 1524 OG SER A 104 0.930 -0.341 -15.292 1.00 0.00 O ATOM 0 H SER A 104 -1.028 1.058 -11.621 1.00 0.00 H new ATOM 0 HA SER A 104 0.655 -0.130 -12.471 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.770 -0.794 -14.216 1.00 0.00 H new ATOM 0 HB3 SER A 104 -0.764 0.790 -14.967 1.00 0.00 H new ATOM 0 HG SER A 104 0.565 -0.731 -16.114 1.00 0.00 H new ATOM 1529 N GLU A 105 1.376 2.580 -14.230 1.00 0.00 N ATOM 1530 CA GLU A 105 2.447 3.500 -14.576 1.00 0.00 C ATOM 1531 C GLU A 105 3.328 3.771 -13.355 1.00 0.00 C ATOM 1532 O GLU A 105 4.517 4.056 -13.494 1.00 0.00 O ATOM 1533 CB GLU A 105 1.886 4.804 -15.148 1.00 0.00 C ATOM 1534 CG GLU A 105 3.012 5.779 -15.495 1.00 0.00 C ATOM 1535 CD GLU A 105 2.480 6.967 -16.299 1.00 0.00 C ATOM 1536 OE1 GLU A 105 1.608 6.790 -17.162 1.00 0.00 O ATOM 1537 OE2 GLU A 105 3.005 8.107 -16.000 1.00 0.00 O ATOM 0 H GLU A 105 0.478 2.786 -14.668 1.00 0.00 H new ATOM 0 HA GLU A 105 3.062 3.038 -15.348 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.297 4.590 -16.040 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.213 5.263 -14.424 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.483 6.137 -14.580 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.781 5.262 -16.069 1.00 0.00 H new ATOM 1543 N GLN A 106 2.712 3.675 -12.187 1.00 0.00 N ATOM 1544 CA GLN A 106 3.425 3.907 -10.942 1.00 0.00 C ATOM 1545 C GLN A 106 4.384 2.749 -10.656 1.00 0.00 C ATOM 1546 O GLN A 106 5.254 2.857 -9.794 1.00 0.00 O ATOM 1547 CB GLN A 106 2.451 4.111 -9.781 1.00 0.00 C ATOM 1548 CG GLN A 106 3.096 3.724 -8.449 1.00 0.00 C ATOM 1549 CD GLN A 106 2.311 4.303 -7.270 1.00 0.00 C ATOM 1550 OE1 GLN A 106 1.590 3.609 -6.571 1.00 0.00 O ATOM 1551 NE2 GLN A 106 2.489 5.608 -7.090 1.00 0.00 N ATOM 0 H GLN A 106 1.726 3.439 -12.076 1.00 0.00 H new ATOM 0 HA GLN A 106 4.010 4.821 -11.046 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.134 5.153 -9.746 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.556 3.511 -9.943 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.139 2.638 -8.364 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.123 4.087 -8.420 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.107 6.129 -7.712 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.008 6.088 -6.330 1.00 0.00 H new ATOM 1558 N GLN A 107 4.192 1.668 -11.398 1.00 0.00 N ATOM 1559 CA GLN A 107 5.029 0.491 -11.234 1.00 0.00 C ATOM 1560 C GLN A 107 6.463 0.903 -10.897 1.00 0.00 C ATOM 1561 O GLN A 107 7.174 0.178 -10.202 1.00 0.00 O ATOM 1562 CB GLN A 107 4.990 -0.387 -12.486 1.00 0.00 C ATOM 1563 CG GLN A 107 5.928 0.156 -13.567 1.00 0.00 C ATOM 1564 CD GLN A 107 5.845 -0.688 -14.840 1.00 0.00 C ATOM 1565 OE1 GLN A 107 4.879 -1.392 -15.088 1.00 0.00 O ATOM 1566 NE2 GLN A 107 6.909 -0.581 -15.630 1.00 0.00 N ATOM 0 H GLN A 107 3.470 1.582 -12.113 1.00 0.00 H new ATOM 0 HA GLN A 107 4.637 -0.098 -10.405 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.278 -1.406 -12.229 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.972 -0.431 -12.872 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.667 1.190 -13.794 1.00 0.00 H new ATOM 0 HG3 GLN A 107 6.953 0.160 -13.196 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.684 0.026 -15.363 1.00 0.00 H new ATOM 0 HE22 GLN A 107 6.951 -1.106 -16.503 1.00 0.00 H new ATOM 1573 N ALA A 108 6.847 2.064 -11.407 1.00 0.00 N ATOM 1574 CA ALA A 108 8.184 2.581 -11.168 1.00 0.00 C ATOM 1575 C ALA A 108 8.204 3.341 -9.840 1.00 0.00 C ATOM 1576 O ALA A 108 9.030 3.061 -8.974 1.00 0.00 O ATOM 1577 CB ALA A 108 8.611 3.456 -12.348 1.00 0.00 C ATOM 0 H ALA A 108 6.256 2.661 -11.985 1.00 0.00 H new ATOM 0 HA ALA A 108 8.903 1.765 -11.090 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.614 3.844 -12.169 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.610 2.861 -13.261 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.914 4.287 -12.455 1.00 0.00 H new ATOM 1583 N LEU A 109 7.284 4.288 -9.725 1.00 0.00 N ATOM 1584 CA LEU A 109 7.185 5.091 -8.517 1.00 0.00 C ATOM 1585 C LEU A 109 6.767 4.197 -7.348 1.00 0.00 C ATOM 1586 O LEU A 109 6.922 4.573 -6.188 1.00 0.00 O ATOM 1587 CB LEU A 109 6.254 6.285 -8.742 1.00 0.00 C ATOM 1588 CG LEU A 109 6.896 7.668 -8.616 1.00 0.00 C ATOM 1589 CD1 LEU A 109 5.912 8.767 -9.021 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.452 7.888 -7.208 1.00 0.00 C ATOM 0 H LEU A 109 6.601 4.517 -10.447 1.00 0.00 H new ATOM 0 HA LEU A 109 8.156 5.517 -8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.818 6.198 -9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.433 6.221 -8.027 1.00 0.00 H new ATOM 0 HG LEU A 109 7.738 7.718 -9.306 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.393 9.740 -8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.605 8.617 -10.056 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.036 8.728 -8.373 1.00 0.00 H new ATOM 0 HD21 LEU A 109 7.903 8.878 -7.145 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.643 7.811 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.207 7.132 -6.993 1.00 0.00 H new ATOM 1601 N LEU A 110 6.246 3.029 -7.695 1.00 0.00 N ATOM 1602 CA LEU A 110 5.805 2.078 -6.689 1.00 0.00 C ATOM 1603 C LEU A 110 6.995 1.680 -5.813 1.00 0.00 C ATOM 1604 O LEU A 110 6.863 1.566 -4.596 1.00 0.00 O ATOM 1605 CB LEU A 110 5.100 0.890 -7.347 1.00 0.00 C ATOM 1606 CG LEU A 110 4.159 0.086 -6.447 1.00 0.00 C ATOM 1607 CD1 LEU A 110 2.903 0.891 -6.110 1.00 0.00 C ATOM 1608 CD2 LEU A 110 3.822 -1.267 -7.077 1.00 0.00 C ATOM 0 H LEU A 110 6.119 2.720 -8.659 1.00 0.00 H new ATOM 0 HA LEU A 110 5.064 2.534 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.529 1.258 -8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.860 0.215 -7.740 1.00 0.00 H new ATOM 0 HG LEU A 110 4.673 -0.116 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.251 0.297 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.186 1.806 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.375 1.144 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.152 -1.819 -6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.335 -1.109 -8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.739 -1.839 -7.224 1.00 0.00 H new ATOM 1619 N THR A 111 8.129 1.479 -6.467 1.00 0.00 N ATOM 1620 CA THR A 111 9.341 1.096 -5.763 1.00 0.00 C ATOM 1621 C THR A 111 9.713 2.157 -4.725 1.00 0.00 C ATOM 1622 O THR A 111 10.687 1.997 -3.991 1.00 0.00 O ATOM 1623 CB THR A 111 10.436 0.855 -6.804 1.00 0.00 C ATOM 1624 OG1 THR A 111 9.771 0.153 -7.851 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.502 -0.128 -6.316 1.00 0.00 C ATOM 0 H THR A 111 8.234 1.574 -7.477 1.00 0.00 H new ATOM 0 HA THR A 111 9.197 0.173 -5.201 1.00 0.00 H new ATOM 0 HB THR A 111 10.907 1.804 -7.061 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.335 0.149 -8.652 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.255 -0.263 -7.093 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.975 0.266 -5.416 1.00 0.00 H new ATOM 0 HG23 THR A 111 11.036 -1.087 -6.091 1.00 0.00 H new ATOM 1633 N LEU A 112 8.918 3.216 -4.697 1.00 0.00 N ATOM 1634 CA LEU A 112 9.150 4.303 -3.761 1.00 0.00 C ATOM 1635 C LEU A 112 9.729 5.503 -4.514 1.00 0.00 C ATOM 1636 O LEU A 112 10.182 6.466 -3.898 1.00 0.00 O ATOM 1637 CB LEU A 112 10.023 3.828 -2.597 1.00 0.00 C ATOM 1638 CG LEU A 112 11.533 3.992 -2.780 1.00 0.00 C ATOM 1639 CD1 LEU A 112 11.882 4.249 -4.248 1.00 0.00 C ATOM 1640 CD2 LEU A 112 12.082 5.083 -1.860 1.00 0.00 C ATOM 0 H LEU A 112 8.112 3.345 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 112 8.211 4.629 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.725 4.371 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 112 9.811 2.774 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 112 12.016 3.058 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.961 4.362 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.546 3.408 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.388 5.160 -4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.157 5.179 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.597 6.032 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.883 4.817 -0.822 1.00 0.00 H new ATOM 1651 N GLY A 113 9.693 5.406 -5.834 1.00 0.00 N ATOM 1652 CA GLY A 113 10.208 6.472 -6.678 1.00 0.00 C ATOM 1653 C GLY A 113 11.737 6.502 -6.652 1.00 0.00 C ATOM 1654 O GLY A 113 12.342 7.572 -6.674 1.00 0.00 O ATOM 0 H GLY A 113 9.315 4.606 -6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 113 9.861 6.330 -7.701 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.816 7.431 -6.339 1.00 0.00 H new ATOM 1658 N VAL A 114 12.320 5.312 -6.606 1.00 0.00 N ATOM 1659 CA VAL A 114 13.767 5.188 -6.577 1.00 0.00 C ATOM 1660 C VAL A 114 14.151 3.713 -6.705 1.00 0.00 C ATOM 1661 O VAL A 114 14.445 3.055 -5.708 1.00 0.00 O ATOM 1662 CB VAL A 114 14.323 5.842 -5.310 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.570 5.106 -4.815 1.00 0.00 C ATOM 1664 CG2 VAL A 114 14.618 7.325 -5.542 1.00 0.00 C ATOM 0 H VAL A 114 11.816 4.426 -6.588 1.00 0.00 H new ATOM 0 HA VAL A 114 14.212 5.715 -7.421 1.00 0.00 H new ATOM 0 HB VAL A 114 13.561 5.770 -4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.945 5.591 -3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.316 4.070 -4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.339 5.132 -5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 114 15.012 7.765 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 114 15.353 7.429 -6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 114 13.699 7.839 -5.826 1.00 0.00 H new ATOM 1674 N ALA A 115 14.136 3.236 -7.941 1.00 0.00 N ATOM 1675 CA ALA A 115 14.478 1.850 -8.214 1.00 0.00 C ATOM 1676 C ALA A 115 13.652 1.349 -9.400 1.00 0.00 C ATOM 1677 O ALA A 115 12.521 0.899 -9.227 1.00 0.00 O ATOM 1678 CB ALA A 115 14.256 1.012 -6.953 1.00 0.00 C ATOM 0 H ALA A 115 13.892 3.785 -8.765 1.00 0.00 H new ATOM 0 HA ALA A 115 15.530 1.760 -8.484 1.00 0.00 H new ATOM 0 HB1 ALA A 115 14.512 -0.028 -7.157 1.00 0.00 H new ATOM 0 HB2 ALA A 115 14.887 1.390 -6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.210 1.076 -6.653 1.00 0.00 H new