USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 668 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 3 SER OG : rot 74:sc= 1.19 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.534 K(o=0.66,f=-2.5!) USER MOD Set 2.1: A 65 ASN : amide:sc= -1.2 K(o=-1.2,f=-0.054) USER MOD Set 2.2: A 70 TYR OH : rot 70:sc= 0.00475 USER MOD Set 3.1: A 20 ASN : amide:sc= -0.528 X(o=-3.6,f=-3.2) USER MOD Set 3.2: A 22 GLN : amide:sc= -3.1! C(o=-3.6!,f=-6.8!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.912 K(o=-0.91,f=-0.06) USER MOD Single : A 10 ASN : amide:sc= -3.95! C(o=-3.9!,f=-3!) USER MOD Single : A 11 MET CE :methyl -133:sc= -0.679 (180deg=-4.03!) USER MOD Single : A 12 GLN : amide:sc= -2.51! K(o=-2.5!,f=-0.041) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -165:sc= 1.94 USER MOD Single : A 18 LYS NZ :NH3+ 147:sc= -2.24 (180deg=-5.51!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 33 GLN : amide:sc= -1.99! K(o=-2!,f=-0.74) USER MOD Single : A 35 SER OG : rot 180:sc= -0.14 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -126:sc= -0.423 (180deg=-1.52) USER MOD Single : A 42 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-0.94) USER MOD Single : A 45 THR OG1 : rot -63:sc= -0.754 USER MOD Single : A 47 MET CE :methyl 155:sc= -0.323 (180deg=-1.58) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= 1.36 (180deg=1.11) USER MOD Single : A 52 GLN : amide:sc= -0.31 K(o=-0.31,f=-3.5!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.791 X(o=-0.79,f=-0.75) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.013 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.68 K(o=-0.68,f=0) USER MOD Single : A 72 MET CE :methyl -144:sc= -0.873 (180deg=-1.41) USER MOD Single : A 79 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.846 -1.163 -0.927 1.00 0.00 N ATOM 2 CA PRO A 1 1.745 -0.926 -2.074 1.00 0.00 C ATOM 3 C PRO A 1 1.862 -2.186 -2.916 1.00 0.00 C ATOM 4 O PRO A 1 1.119 -3.145 -2.708 1.00 0.00 O ATOM 5 CB PRO A 1 3.107 -0.506 -1.543 1.00 0.00 C ATOM 6 CG PRO A 1 2.937 -0.523 -0.063 1.00 0.00 C ATOM 7 CD PRO A 1 1.451 -0.431 0.196 1.00 0.00 C ATOM 0 H2 PRO A 1 0.769 -2.159 -0.719 1.00 0.00 H new ATOM 0 H3 PRO A 1 -0.097 -0.825 -1.122 1.00 0.00 H new ATOM 0 HA PRO A 1 1.342 -0.136 -2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.890 -1.194 -1.863 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.387 0.485 -1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.350 -1.436 0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.464 0.312 0.398 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.185 -0.879 1.153 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.114 0.605 0.224 1.00 0.00 H new ATOM 17 N VAL A 2 2.789 -2.194 -3.862 1.00 0.00 N ATOM 18 CA VAL A 2 2.955 -3.347 -4.731 1.00 0.00 C ATOM 19 C VAL A 2 4.362 -3.901 -4.611 1.00 0.00 C ATOM 20 O VAL A 2 5.306 -3.172 -4.293 1.00 0.00 O ATOM 21 CB VAL A 2 2.654 -3.031 -6.214 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.283 -2.398 -6.355 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.727 -2.144 -6.823 1.00 0.00 C ATOM 0 H VAL A 2 3.431 -1.423 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 2 2.229 -4.089 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 2 2.658 -3.972 -6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.088 -2.182 -7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.525 -3.085 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.249 -1.471 -5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.483 -1.942 -7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.777 -1.204 -6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.691 -2.649 -6.767 1.00 0.00 H new ATOM 33 N SER A 3 4.495 -5.187 -4.852 1.00 0.00 N ATOM 34 CA SER A 3 5.778 -5.841 -4.753 1.00 0.00 C ATOM 35 C SER A 3 6.504 -5.772 -6.090 1.00 0.00 C ATOM 36 O SER A 3 6.061 -6.348 -7.083 1.00 0.00 O ATOM 37 CB SER A 3 5.590 -7.289 -4.306 1.00 0.00 C ATOM 38 OG SER A 3 4.798 -7.354 -3.130 1.00 0.00 O ATOM 0 H SER A 3 3.726 -5.801 -5.119 1.00 0.00 H new ATOM 0 HA SER A 3 6.387 -5.329 -4.009 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.114 -7.861 -5.102 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.562 -7.747 -4.121 1.00 0.00 H new ATOM 0 HG SER A 3 3.861 -7.174 -3.356 1.00 0.00 H new ATOM 44 N ILE A 4 7.606 -5.052 -6.104 1.00 0.00 N ATOM 45 CA ILE A 4 8.378 -4.852 -7.317 1.00 0.00 C ATOM 46 C ILE A 4 9.768 -5.438 -7.170 1.00 0.00 C ATOM 47 O ILE A 4 10.397 -5.319 -6.120 1.00 0.00 O ATOM 48 CB ILE A 4 8.482 -3.362 -7.680 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.483 -2.501 -6.420 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.346 -2.969 -8.607 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.626 -1.022 -6.696 1.00 0.00 C ATOM 0 H ILE A 4 7.992 -4.590 -5.281 1.00 0.00 H new ATOM 0 HA ILE A 4 7.854 -5.367 -8.122 1.00 0.00 H new ATOM 0 HB ILE A 4 9.424 -3.193 -8.201 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.556 -2.672 -5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.299 -2.821 -5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.430 -1.911 -8.857 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.399 -3.563 -9.519 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.392 -3.150 -8.111 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.619 -0.474 -5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.566 -0.838 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.796 -0.686 -7.318 1.00 0.00 H new ATOM 63 N LYS A 5 10.237 -6.083 -8.218 1.00 0.00 N ATOM 64 CA LYS A 5 11.515 -6.764 -8.174 1.00 0.00 C ATOM 65 C LYS A 5 12.437 -6.214 -9.237 1.00 0.00 C ATOM 66 O LYS A 5 11.998 -5.853 -10.323 1.00 0.00 O ATOM 67 CB LYS A 5 11.320 -8.258 -8.397 1.00 0.00 C ATOM 68 CG LYS A 5 10.161 -8.819 -7.606 1.00 0.00 C ATOM 69 CD LYS A 5 9.762 -10.195 -8.092 1.00 0.00 C ATOM 70 CE LYS A 5 8.262 -10.377 -7.984 1.00 0.00 C ATOM 71 NZ LYS A 5 7.847 -11.777 -8.259 1.00 0.00 N ATOM 0 H LYS A 5 9.752 -6.150 -9.113 1.00 0.00 H new ATOM 0 HA LYS A 5 11.961 -6.600 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.154 -8.444 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.233 -8.785 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.432 -8.871 -6.551 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.308 -8.145 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.078 -10.328 -9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.271 -10.958 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.934 -10.092 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.765 -9.708 -8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.813 -11.856 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.136 -12.042 -9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.300 -12.414 -7.574 1.00 0.00 H new ATOM 85 N VAL A 6 13.709 -6.162 -8.918 1.00 0.00 N ATOM 86 CA VAL A 6 14.709 -5.698 -9.857 1.00 0.00 C ATOM 87 C VAL A 6 15.720 -6.804 -10.106 1.00 0.00 C ATOM 88 O VAL A 6 16.540 -7.117 -9.239 1.00 0.00 O ATOM 89 CB VAL A 6 15.443 -4.437 -9.348 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.430 -3.928 -10.388 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.451 -3.346 -8.971 1.00 0.00 C ATOM 0 H VAL A 6 14.080 -6.437 -8.009 1.00 0.00 H new ATOM 0 HA VAL A 6 14.197 -5.434 -10.782 1.00 0.00 H new ATOM 0 HB VAL A 6 16.002 -4.712 -8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.934 -3.040 -10.007 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.168 -4.702 -10.599 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.896 -3.677 -11.304 1.00 0.00 H new ATOM 0 HG21 VAL A 6 14.992 -2.469 -8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.857 -3.077 -9.844 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.792 -3.710 -8.182 1.00 0.00 H new ATOM 101 N GLN A 7 15.627 -7.421 -11.272 1.00 0.00 N ATOM 102 CA GLN A 7 16.526 -8.497 -11.638 1.00 0.00 C ATOM 103 C GLN A 7 17.914 -7.937 -11.887 1.00 0.00 C ATOM 104 O GLN A 7 18.166 -7.307 -12.909 1.00 0.00 O ATOM 105 CB GLN A 7 16.019 -9.238 -12.880 1.00 0.00 C ATOM 106 CG GLN A 7 16.241 -10.740 -12.820 1.00 0.00 C ATOM 107 CD GLN A 7 17.706 -11.116 -12.851 1.00 0.00 C ATOM 108 OE1 GLN A 7 18.260 -11.452 -13.898 1.00 0.00 O ATOM 109 NE2 GLN A 7 18.352 -10.984 -11.714 1.00 0.00 N ATOM 0 H GLN A 7 14.933 -7.192 -11.983 1.00 0.00 H new ATOM 0 HA GLN A 7 16.567 -9.212 -10.816 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.954 -9.040 -13.002 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.521 -8.839 -13.762 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.788 -11.134 -11.910 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.731 -11.212 -13.660 1.00 0.00 H new ATOM 0 HE21 GLN A 7 17.850 -10.703 -10.872 1.00 0.00 H new ATOM 0 HE22 GLN A 7 19.355 -11.162 -11.674 1.00 0.00 H new ATOM 118 N VAL A 8 18.796 -8.162 -10.932 1.00 0.00 N ATOM 119 CA VAL A 8 20.160 -7.689 -11.024 1.00 0.00 C ATOM 120 C VAL A 8 20.960 -8.556 -11.991 1.00 0.00 C ATOM 121 O VAL A 8 20.982 -9.779 -11.856 1.00 0.00 O ATOM 122 CB VAL A 8 20.836 -7.691 -9.634 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.291 -7.292 -9.731 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.090 -6.773 -8.682 1.00 0.00 C ATOM 0 H VAL A 8 18.587 -8.675 -10.076 1.00 0.00 H new ATOM 0 HA VAL A 8 20.138 -6.666 -11.399 1.00 0.00 H new ATOM 0 HB VAL A 8 20.797 -8.707 -9.241 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.738 -7.303 -8.737 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.819 -7.996 -10.374 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.366 -6.289 -10.152 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.578 -6.785 -7.707 1.00 0.00 H new ATOM 0 HG22 VAL A 8 20.095 -5.757 -9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.061 -7.117 -8.577 1.00 0.00 H new ATOM 134 N PRO A 9 21.625 -7.935 -12.978 1.00 0.00 N ATOM 135 CA PRO A 9 22.407 -8.662 -13.978 1.00 0.00 C ATOM 136 C PRO A 9 23.558 -9.443 -13.353 1.00 0.00 C ATOM 137 O PRO A 9 24.092 -9.061 -12.300 1.00 0.00 O ATOM 138 CB PRO A 9 22.942 -7.561 -14.901 1.00 0.00 C ATOM 139 CG PRO A 9 22.858 -6.309 -14.102 1.00 0.00 C ATOM 140 CD PRO A 9 21.679 -6.478 -13.190 1.00 0.00 C ATOM 0 HA PRO A 9 21.804 -9.406 -14.498 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.968 -7.766 -15.205 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.348 -7.488 -15.812 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.773 -6.148 -13.531 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.729 -5.441 -14.749 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.815 -5.939 -12.252 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.762 -6.103 -13.644 1.00 0.00 H new ATOM 148 N ASN A 10 23.934 -10.538 -13.995 1.00 0.00 N ATOM 149 CA ASN A 10 24.996 -11.392 -13.487 1.00 0.00 C ATOM 150 C ASN A 10 26.360 -10.810 -13.817 1.00 0.00 C ATOM 151 O ASN A 10 26.978 -11.185 -14.812 1.00 0.00 O ATOM 152 CB ASN A 10 24.897 -12.809 -14.068 1.00 0.00 C ATOM 153 CG ASN A 10 23.742 -13.616 -13.504 1.00 0.00 C ATOM 154 OD1 ASN A 10 22.630 -13.584 -14.031 1.00 0.00 O ATOM 155 ND2 ASN A 10 23.995 -14.352 -12.430 1.00 0.00 N ATOM 0 H ASN A 10 23.519 -10.857 -14.870 1.00 0.00 H new ATOM 0 HA ASN A 10 24.878 -11.446 -12.405 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.789 -12.742 -15.151 1.00 0.00 H new ATOM 0 HB3 ASN A 10 25.829 -13.339 -13.873 1.00 0.00 H new ATOM 0 HD21 ASN A 10 23.255 -14.917 -12.013 1.00 0.00 H new ATOM 0 HD22 ASN A 10 24.929 -14.353 -12.021 1.00 0.00 H new ATOM 162 N MET A 11 26.825 -9.879 -12.994 1.00 0.00 N ATOM 163 CA MET A 11 28.140 -9.294 -13.198 1.00 0.00 C ATOM 164 C MET A 11 28.888 -9.196 -11.883 1.00 0.00 C ATOM 165 O MET A 11 29.059 -8.105 -11.345 1.00 0.00 O ATOM 166 CB MET A 11 28.020 -7.905 -13.844 1.00 0.00 C ATOM 167 CG MET A 11 27.800 -7.954 -15.350 1.00 0.00 C ATOM 168 SD MET A 11 28.155 -6.388 -16.181 1.00 0.00 S ATOM 169 CE MET A 11 26.840 -5.344 -15.566 1.00 0.00 C ATOM 0 H MET A 11 26.316 -9.517 -12.188 1.00 0.00 H new ATOM 0 HA MET A 11 28.701 -9.943 -13.871 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.192 -7.368 -13.381 1.00 0.00 H new ATOM 0 HB3 MET A 11 28.926 -7.336 -13.635 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.431 -8.734 -15.776 1.00 0.00 H new ATOM 0 HG3 MET A 11 26.766 -8.236 -15.549 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.385 -4.804 -16.397 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.085 -5.960 -15.077 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.247 -4.631 -14.849 1.00 0.00 H new ATOM 179 N GLN A 12 29.389 -10.333 -11.403 1.00 0.00 N ATOM 180 CA GLN A 12 29.983 -10.392 -10.071 1.00 0.00 C ATOM 181 C GLN A 12 31.373 -9.789 -10.090 1.00 0.00 C ATOM 182 O GLN A 12 31.737 -8.995 -9.227 1.00 0.00 O ATOM 183 CB GLN A 12 30.089 -11.836 -9.556 1.00 0.00 C ATOM 184 CG GLN A 12 28.831 -12.679 -9.711 1.00 0.00 C ATOM 185 CD GLN A 12 28.781 -13.413 -11.033 1.00 0.00 C ATOM 186 OE1 GLN A 12 29.304 -14.517 -11.159 1.00 0.00 O ATOM 187 NE2 GLN A 12 28.133 -12.818 -12.021 1.00 0.00 N ATOM 0 H GLN A 12 29.395 -11.217 -11.912 1.00 0.00 H new ATOM 0 HA GLN A 12 29.330 -9.827 -9.406 1.00 0.00 H new ATOM 0 HB2 GLN A 12 30.905 -12.332 -10.081 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.359 -11.808 -8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 12 28.780 -13.402 -8.896 1.00 0.00 H new ATOM 0 HG3 GLN A 12 27.955 -12.037 -9.623 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.712 -11.900 -11.875 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.054 -13.277 -12.928 1.00 0.00 H new ATOM 196 N ASP A 13 32.140 -10.175 -11.091 1.00 0.00 N ATOM 197 CA ASP A 13 33.510 -9.709 -11.231 1.00 0.00 C ATOM 198 C ASP A 13 33.681 -8.993 -12.557 1.00 0.00 C ATOM 199 O ASP A 13 34.791 -8.653 -12.959 1.00 0.00 O ATOM 200 CB ASP A 13 34.483 -10.886 -11.151 1.00 0.00 C ATOM 201 CG ASP A 13 34.409 -11.632 -9.835 1.00 0.00 C ATOM 202 OD1 ASP A 13 35.104 -11.233 -8.877 1.00 0.00 O ATOM 203 OD2 ASP A 13 33.671 -12.637 -9.755 1.00 0.00 O ATOM 0 H ASP A 13 31.837 -10.815 -11.825 1.00 0.00 H new ATOM 0 HA ASP A 13 33.727 -9.016 -10.418 1.00 0.00 H new ATOM 0 HB2 ASP A 13 34.273 -11.579 -11.966 1.00 0.00 H new ATOM 0 HB3 ASP A 13 35.499 -10.520 -11.297 1.00 0.00 H new ATOM 208 N LYS A 14 32.564 -8.763 -13.233 1.00 0.00 N ATOM 209 CA LYS A 14 32.591 -8.203 -14.578 1.00 0.00 C ATOM 210 C LYS A 14 32.531 -6.688 -14.512 1.00 0.00 C ATOM 211 O LYS A 14 32.627 -6.002 -15.528 1.00 0.00 O ATOM 212 CB LYS A 14 31.410 -8.718 -15.406 1.00 0.00 C ATOM 213 CG LYS A 14 30.938 -10.111 -15.023 1.00 0.00 C ATOM 214 CD LYS A 14 31.997 -11.174 -15.257 1.00 0.00 C ATOM 215 CE LYS A 14 31.539 -12.509 -14.699 1.00 0.00 C ATOM 216 NZ LYS A 14 32.461 -13.621 -15.051 1.00 0.00 N ATOM 0 H LYS A 14 31.629 -8.955 -12.873 1.00 0.00 H new ATOM 0 HA LYS A 14 33.520 -8.514 -15.055 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.577 -8.023 -15.301 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.693 -8.719 -16.459 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.650 -10.116 -13.972 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.047 -10.359 -15.599 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.197 -11.268 -16.324 1.00 0.00 H new ATOM 0 HD3 LYS A 14 32.932 -10.876 -14.782 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.459 -12.437 -13.614 1.00 0.00 H new ATOM 0 HE3 LYS A 14 30.542 -12.734 -15.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.103 -14.510 -14.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 32.519 -13.710 -16.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.407 -13.422 -14.668 1.00 0.00 H new ATOM 230 N THR A 15 32.368 -6.175 -13.305 1.00 0.00 N ATOM 231 CA THR A 15 32.213 -4.746 -13.104 1.00 0.00 C ATOM 232 C THR A 15 32.504 -4.363 -11.650 1.00 0.00 C ATOM 233 O THR A 15 32.946 -5.198 -10.857 1.00 0.00 O ATOM 234 CB THR A 15 30.793 -4.292 -13.513 1.00 0.00 C ATOM 235 OG1 THR A 15 30.687 -2.861 -13.469 1.00 0.00 O ATOM 236 CG2 THR A 15 29.738 -4.924 -12.613 1.00 0.00 C ATOM 0 H THR A 15 32.340 -6.728 -12.448 1.00 0.00 H new ATOM 0 HA THR A 15 32.936 -4.234 -13.739 1.00 0.00 H new ATOM 0 HB THR A 15 30.617 -4.625 -14.536 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.742 -2.602 -13.494 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.748 -4.588 -12.922 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.795 -6.010 -12.693 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.916 -4.627 -11.580 1.00 0.00 H new ATOM 244 N GLU A 16 32.249 -3.103 -11.310 1.00 0.00 N ATOM 245 CA GLU A 16 32.577 -2.559 -9.996 1.00 0.00 C ATOM 246 C GLU A 16 31.337 -2.438 -9.113 1.00 0.00 C ATOM 247 O GLU A 16 31.404 -1.907 -8.005 1.00 0.00 O ATOM 248 CB GLU A 16 33.219 -1.181 -10.156 1.00 0.00 C ATOM 249 CG GLU A 16 32.337 -0.191 -10.909 1.00 0.00 C ATOM 250 CD GLU A 16 32.925 1.202 -10.965 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.955 1.395 -11.648 1.00 0.00 O ATOM 252 OE2 GLU A 16 32.352 2.118 -10.338 1.00 0.00 O ATOM 0 H GLU A 16 31.809 -2.430 -11.938 1.00 0.00 H new ATOM 0 HA GLU A 16 33.273 -3.245 -9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.447 -0.777 -9.170 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.167 -1.288 -10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.179 -0.554 -11.925 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.359 -0.147 -10.430 1.00 0.00 H new ATOM 259 N TRP A 17 30.209 -2.916 -9.610 1.00 0.00 N ATOM 260 CA TRP A 17 28.950 -2.803 -8.881 1.00 0.00 C ATOM 261 C TRP A 17 28.658 -4.082 -8.102 1.00 0.00 C ATOM 262 O TRP A 17 29.348 -5.087 -8.266 1.00 0.00 O ATOM 263 CB TRP A 17 27.811 -2.501 -9.849 1.00 0.00 C ATOM 264 CG TRP A 17 28.119 -1.348 -10.748 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.542 -0.108 -10.370 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.038 -1.330 -12.174 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.740 0.677 -11.475 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.436 -0.050 -12.596 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.671 -2.270 -13.136 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.480 0.303 -13.940 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.714 -1.916 -14.469 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.116 -0.638 -14.860 1.00 0.00 C ATOM 0 H TRP A 17 30.135 -3.385 -10.513 1.00 0.00 H new ATOM 0 HA TRP A 17 29.036 -1.983 -8.168 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.607 -3.385 -10.453 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.905 -2.285 -9.283 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.698 0.209 -9.349 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.061 1.645 -11.465 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.358 -3.261 -12.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.792 1.290 -14.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.432 -2.638 -15.221 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.140 -0.389 -15.911 1.00 0.00 H new ATOM 283 N LYS A 18 27.630 -4.039 -7.265 1.00 0.00 N ATOM 284 CA LYS A 18 27.259 -5.176 -6.433 1.00 0.00 C ATOM 285 C LYS A 18 26.362 -6.149 -7.204 1.00 0.00 C ATOM 286 O LYS A 18 25.565 -6.884 -6.619 1.00 0.00 O ATOM 287 CB LYS A 18 26.545 -4.682 -5.162 1.00 0.00 C ATOM 288 CG LYS A 18 25.154 -4.108 -5.407 1.00 0.00 C ATOM 289 CD LYS A 18 24.080 -5.041 -4.863 1.00 0.00 C ATOM 290 CE LYS A 18 22.942 -5.236 -5.849 1.00 0.00 C ATOM 291 NZ LYS A 18 22.051 -4.047 -5.904 1.00 0.00 N ATOM 0 H LYS A 18 27.033 -3.221 -7.144 1.00 0.00 H new ATOM 0 HA LYS A 18 28.167 -5.708 -6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.465 -5.511 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.161 -3.919 -4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.069 -3.132 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.002 -3.955 -6.475 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.525 -6.008 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.686 -4.636 -3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 18 23.350 -5.431 -6.841 1.00 0.00 H new ATOM 0 HE3 LYS A 18 22.361 -6.113 -5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.677 -3.938 -6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 21.261 -4.174 -5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 22.590 -3.197 -5.643 1.00 0.00 H new ATOM 305 N LEU A 19 26.503 -6.174 -8.514 1.00 0.00 N ATOM 306 CA LEU A 19 25.669 -7.021 -9.341 1.00 0.00 C ATOM 307 C LEU A 19 26.188 -8.450 -9.280 1.00 0.00 C ATOM 308 O LEU A 19 27.373 -8.678 -9.449 1.00 0.00 O ATOM 309 CB LEU A 19 25.684 -6.524 -10.785 1.00 0.00 C ATOM 310 CG LEU A 19 25.529 -5.013 -10.948 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.496 -4.635 -12.411 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.277 -4.524 -10.253 1.00 0.00 C ATOM 0 H LEU A 19 27.187 -5.618 -9.028 1.00 0.00 H new ATOM 0 HA LEU A 19 24.644 -6.989 -8.971 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.621 -6.830 -11.249 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.881 -7.018 -11.332 1.00 0.00 H new ATOM 0 HG LEU A 19 26.391 -4.534 -10.485 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.385 -3.555 -12.505 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.425 -4.947 -12.889 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.654 -5.130 -12.896 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.187 -3.445 -10.382 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.405 -5.015 -10.685 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.336 -4.759 -9.190 1.00 0.00 H new ATOM 324 N ASN A 20 25.323 -9.410 -9.011 1.00 0.00 N ATOM 325 CA ASN A 20 25.772 -10.795 -8.894 1.00 0.00 C ATOM 326 C ASN A 20 24.753 -11.746 -9.486 1.00 0.00 C ATOM 327 O ASN A 20 24.811 -12.951 -9.263 1.00 0.00 O ATOM 328 CB ASN A 20 26.037 -11.164 -7.429 1.00 0.00 C ATOM 329 CG ASN A 20 27.221 -10.426 -6.830 1.00 0.00 C ATOM 330 OD1 ASN A 20 28.320 -10.968 -6.713 1.00 0.00 O ATOM 331 ND2 ASN A 20 27.006 -9.168 -6.484 1.00 0.00 N ATOM 0 H ASN A 20 24.323 -9.267 -8.871 1.00 0.00 H new ATOM 0 HA ASN A 20 26.704 -10.887 -9.452 1.00 0.00 H new ATOM 0 HB2 ASN A 20 25.146 -10.947 -6.840 1.00 0.00 H new ATOM 0 HB3 ASN A 20 26.213 -12.237 -7.358 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.768 -8.607 -6.103 1.00 0.00 H new ATOM 0 HD22 ASN A 20 26.079 -8.759 -6.598 1.00 0.00 H new ATOM 338 N GLY A 21 23.835 -11.204 -10.268 1.00 0.00 N ATOM 339 CA GLY A 21 22.793 -12.022 -10.844 1.00 0.00 C ATOM 340 C GLY A 21 21.656 -12.292 -9.882 1.00 0.00 C ATOM 341 O GLY A 21 20.748 -13.061 -10.192 1.00 0.00 O ATOM 0 H GLY A 21 23.793 -10.215 -10.513 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.400 -11.528 -11.733 1.00 0.00 H new ATOM 0 HA3 GLY A 21 23.221 -12.971 -11.169 1.00 0.00 H new ATOM 345 N GLN A 22 21.706 -11.677 -8.706 1.00 0.00 N ATOM 346 CA GLN A 22 20.631 -11.827 -7.736 1.00 0.00 C ATOM 347 C GLN A 22 19.453 -10.948 -8.135 1.00 0.00 C ATOM 348 O GLN A 22 19.506 -10.242 -9.139 1.00 0.00 O ATOM 349 CB GLN A 22 21.094 -11.473 -6.317 1.00 0.00 C ATOM 350 CG GLN A 22 21.409 -10.000 -6.108 1.00 0.00 C ATOM 351 CD GLN A 22 22.894 -9.719 -6.053 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.682 -10.553 -5.620 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.287 -8.537 -6.497 1.00 0.00 N ATOM 0 H GLN A 22 22.472 -11.075 -8.404 1.00 0.00 H new ATOM 0 HA GLN A 22 20.325 -12.873 -7.732 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.319 -11.770 -5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.982 -12.059 -6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.964 -9.420 -6.917 1.00 0.00 H new ATOM 0 HG3 GLN A 22 20.946 -9.662 -5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.600 -7.870 -6.850 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.277 -8.292 -6.487 1.00 0.00 H new ATOM 362 N VAL A 23 18.398 -10.988 -7.357 1.00 0.00 N ATOM 363 CA VAL A 23 17.230 -10.176 -7.629 1.00 0.00 C ATOM 364 C VAL A 23 16.850 -9.370 -6.392 1.00 0.00 C ATOM 365 O VAL A 23 16.898 -9.876 -5.269 1.00 0.00 O ATOM 366 CB VAL A 23 16.037 -11.047 -8.102 1.00 0.00 C ATOM 367 CG1 VAL A 23 15.618 -12.047 -7.031 1.00 0.00 C ATOM 368 CG2 VAL A 23 14.861 -10.180 -8.523 1.00 0.00 C ATOM 0 H VAL A 23 18.322 -11.576 -6.527 1.00 0.00 H new ATOM 0 HA VAL A 23 17.476 -9.486 -8.436 1.00 0.00 H new ATOM 0 HB VAL A 23 16.369 -11.613 -8.972 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.780 -12.641 -7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 23 16.456 -12.705 -6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.318 -11.511 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.039 -10.816 -8.850 1.00 0.00 H new ATOM 0 HG22 VAL A 23 14.536 -9.572 -7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 23 15.164 -9.529 -9.343 1.00 0.00 H new ATOM 378 N LEU A 24 16.524 -8.104 -6.596 1.00 0.00 N ATOM 379 CA LEU A 24 16.100 -7.244 -5.506 1.00 0.00 C ATOM 380 C LEU A 24 14.586 -7.256 -5.413 1.00 0.00 C ATOM 381 O LEU A 24 13.901 -7.301 -6.432 1.00 0.00 O ATOM 382 CB LEU A 24 16.598 -5.812 -5.718 1.00 0.00 C ATOM 383 CG LEU A 24 18.113 -5.664 -5.881 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.489 -4.203 -6.077 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.844 -6.250 -4.685 1.00 0.00 C ATOM 0 H LEU A 24 16.545 -7.649 -7.509 1.00 0.00 H new ATOM 0 HA LEU A 24 16.527 -7.620 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.112 -5.403 -6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.279 -5.205 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 24 18.416 -6.219 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.570 -4.118 -6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 24 17.998 -3.818 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.169 -3.625 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.919 -6.134 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.536 -5.728 -3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.602 -7.309 -4.594 1.00 0.00 H new ATOM 397 N VAL A 25 14.066 -7.222 -4.203 1.00 0.00 N ATOM 398 CA VAL A 25 12.630 -7.250 -3.993 1.00 0.00 C ATOM 399 C VAL A 25 12.231 -6.115 -3.067 1.00 0.00 C ATOM 400 O VAL A 25 12.555 -6.123 -1.879 1.00 0.00 O ATOM 401 CB VAL A 25 12.157 -8.595 -3.397 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.642 -8.607 -3.238 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.609 -9.765 -4.263 1.00 0.00 C ATOM 0 H VAL A 25 14.617 -7.175 -3.346 1.00 0.00 H new ATOM 0 HA VAL A 25 12.150 -7.132 -4.964 1.00 0.00 H new ATOM 0 HB VAL A 25 12.611 -8.705 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.328 -9.562 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.340 -7.800 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.173 -8.468 -4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.263 -10.700 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.190 -9.660 -5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.697 -9.773 -4.324 1.00 0.00 H new ATOM 413 N PHE A 26 11.552 -5.131 -3.621 1.00 0.00 N ATOM 414 CA PHE A 26 11.131 -3.971 -2.862 1.00 0.00 C ATOM 415 C PHE A 26 9.623 -3.817 -2.962 1.00 0.00 C ATOM 416 O PHE A 26 8.982 -4.437 -3.808 1.00 0.00 O ATOM 417 CB PHE A 26 11.832 -2.706 -3.375 1.00 0.00 C ATOM 418 CG PHE A 26 13.327 -2.723 -3.200 1.00 0.00 C ATOM 419 CD1 PHE A 26 13.892 -3.003 -1.967 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.169 -2.448 -4.270 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.262 -3.019 -1.804 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.544 -2.461 -4.110 1.00 0.00 C ATOM 423 CZ PHE A 26 16.089 -2.746 -2.876 1.00 0.00 C ATOM 0 H PHE A 26 11.278 -5.112 -4.603 1.00 0.00 H new ATOM 0 HA PHE A 26 11.408 -4.112 -1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.601 -2.578 -4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.425 -1.840 -2.853 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.252 -3.211 -1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.746 -2.221 -5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 26 15.688 -3.245 -0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 26 16.189 -2.248 -4.950 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.161 -2.756 -2.748 1.00 0.00 H new ATOM 433 N THR A 27 9.047 -3.029 -2.080 1.00 0.00 N ATOM 434 CA THR A 27 7.624 -2.766 -2.132 1.00 0.00 C ATOM 435 C THR A 27 7.366 -1.268 -2.136 1.00 0.00 C ATOM 436 O THR A 27 7.703 -0.564 -1.185 1.00 0.00 O ATOM 437 CB THR A 27 6.895 -3.414 -0.947 1.00 0.00 C ATOM 438 OG1 THR A 27 7.364 -4.759 -0.766 1.00 0.00 O ATOM 439 CG2 THR A 27 5.390 -3.431 -1.165 1.00 0.00 C ATOM 0 H THR A 27 9.540 -2.560 -1.320 1.00 0.00 H new ATOM 0 HA THR A 27 7.237 -3.202 -3.053 1.00 0.00 H new ATOM 0 HB THR A 27 7.107 -2.821 -0.057 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.898 -5.169 -0.008 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.903 -3.896 -0.308 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.027 -2.409 -1.278 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.159 -3.999 -2.066 1.00 0.00 H new ATOM 447 N LEU A 28 6.772 -0.795 -3.211 1.00 0.00 N ATOM 448 CA LEU A 28 6.466 0.618 -3.361 1.00 0.00 C ATOM 449 C LEU A 28 5.050 0.780 -3.872 1.00 0.00 C ATOM 450 O LEU A 28 4.530 -0.099 -4.553 1.00 0.00 O ATOM 451 CB LEU A 28 7.446 1.291 -4.326 1.00 0.00 C ATOM 452 CG LEU A 28 8.873 1.439 -3.805 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.791 1.945 -4.904 1.00 0.00 C ATOM 454 CD2 LEU A 28 8.912 2.379 -2.612 1.00 0.00 C ATOM 0 H LEU A 28 6.488 -1.372 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 28 6.561 1.098 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.472 0.716 -5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.063 2.280 -4.576 1.00 0.00 H new ATOM 0 HG LEU A 28 9.223 0.458 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.804 2.045 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.789 1.238 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.440 2.916 -5.253 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.938 2.471 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.541 3.360 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.285 1.981 -1.814 1.00 0.00 H new ATOM 466 N PRO A 29 4.388 1.878 -3.507 1.00 0.00 N ATOM 467 CA PRO A 29 3.050 2.175 -3.997 1.00 0.00 C ATOM 468 C PRO A 29 3.061 2.463 -5.491 1.00 0.00 C ATOM 469 O PRO A 29 4.053 2.949 -6.032 1.00 0.00 O ATOM 470 CB PRO A 29 2.637 3.421 -3.212 1.00 0.00 C ATOM 471 CG PRO A 29 3.918 4.043 -2.771 1.00 0.00 C ATOM 472 CD PRO A 29 4.888 2.911 -2.587 1.00 0.00 C ATOM 0 HA PRO A 29 2.364 1.339 -3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.060 4.105 -3.834 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.011 3.160 -2.359 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.283 4.752 -3.514 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.783 4.596 -1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.906 3.211 -2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.902 2.558 -1.556 1.00 0.00 H new ATOM 480 N LEU A 30 1.944 2.178 -6.141 1.00 0.00 N ATOM 481 CA LEU A 30 1.792 2.399 -7.581 1.00 0.00 C ATOM 482 C LEU A 30 1.938 3.885 -7.923 1.00 0.00 C ATOM 483 O LEU A 30 2.050 4.264 -9.090 1.00 0.00 O ATOM 484 CB LEU A 30 0.419 1.884 -8.030 1.00 0.00 C ATOM 485 CG LEU A 30 0.191 1.825 -9.540 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.193 0.886 -10.182 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.229 1.375 -9.847 1.00 0.00 C ATOM 0 H LEU A 30 1.116 1.788 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 30 2.576 1.855 -8.107 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.276 0.884 -7.621 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.348 2.521 -7.591 1.00 0.00 H new ATOM 0 HG LEU A 30 0.332 2.824 -9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.022 0.851 -11.258 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.204 1.244 -9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.075 -0.113 -9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.374 1.339 -10.927 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.396 0.384 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.936 2.079 -9.410 1.00 0.00 H new ATOM 499 N THR A 31 1.958 4.710 -6.890 1.00 0.00 N ATOM 500 CA THR A 31 2.037 6.149 -7.044 1.00 0.00 C ATOM 501 C THR A 31 3.466 6.614 -7.313 1.00 0.00 C ATOM 502 O THR A 31 3.677 7.725 -7.803 1.00 0.00 O ATOM 503 CB THR A 31 1.489 6.843 -5.787 1.00 0.00 C ATOM 504 OG1 THR A 31 2.232 6.426 -4.633 1.00 0.00 O ATOM 505 CG2 THR A 31 0.027 6.486 -5.590 1.00 0.00 C ATOM 0 H THR A 31 1.920 4.398 -5.920 1.00 0.00 H new ATOM 0 HA THR A 31 1.431 6.422 -7.908 1.00 0.00 H new ATOM 0 HB THR A 31 1.587 7.921 -5.915 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.878 6.874 -3.837 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.352 6.983 -4.697 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.547 6.812 -6.457 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.072 5.407 -5.474 1.00 0.00 H new ATOM 513 N ASP A 32 4.446 5.774 -6.990 1.00 0.00 N ATOM 514 CA ASP A 32 5.841 6.111 -7.272 1.00 0.00 C ATOM 515 C ASP A 32 6.152 5.921 -8.750 1.00 0.00 C ATOM 516 O ASP A 32 5.262 5.657 -9.564 1.00 0.00 O ATOM 517 CB ASP A 32 6.812 5.289 -6.417 1.00 0.00 C ATOM 518 CG ASP A 32 6.994 5.867 -5.028 1.00 0.00 C ATOM 519 OD1 ASP A 32 7.704 6.887 -4.887 1.00 0.00 O ATOM 520 OD2 ASP A 32 6.441 5.305 -4.068 1.00 0.00 O ATOM 0 H ASP A 32 4.306 4.869 -6.540 1.00 0.00 H new ATOM 0 HA ASP A 32 5.978 7.161 -7.013 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.444 4.266 -6.336 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.780 5.241 -6.917 1.00 0.00 H new ATOM 525 N GLN A 33 7.417 6.057 -9.104 1.00 0.00 N ATOM 526 CA GLN A 33 7.810 6.026 -10.499 1.00 0.00 C ATOM 527 C GLN A 33 9.174 5.379 -10.679 1.00 0.00 C ATOM 528 O GLN A 33 9.853 5.051 -9.703 1.00 0.00 O ATOM 529 CB GLN A 33 7.821 7.443 -11.083 1.00 0.00 C ATOM 530 CG GLN A 33 8.604 8.459 -10.257 1.00 0.00 C ATOM 531 CD GLN A 33 7.839 9.000 -9.057 1.00 0.00 C ATOM 532 OE1 GLN A 33 8.432 9.307 -8.025 1.00 0.00 O ATOM 533 NE2 GLN A 33 6.525 9.136 -9.184 1.00 0.00 N ATOM 0 H GLN A 33 8.186 6.189 -8.447 1.00 0.00 H new ATOM 0 HA GLN A 33 7.077 5.423 -11.035 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.244 7.406 -12.087 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.792 7.790 -11.183 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.527 7.995 -9.908 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.889 9.292 -10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.067 8.871 -10.056 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.973 9.506 -8.410 1.00 0.00 H new ATOM 542 N VAL A 34 9.572 5.222 -11.939 1.00 0.00 N ATOM 543 CA VAL A 34 10.845 4.596 -12.289 1.00 0.00 C ATOM 544 C VAL A 34 12.010 5.378 -11.686 1.00 0.00 C ATOM 545 O VAL A 34 13.060 4.813 -11.387 1.00 0.00 O ATOM 546 CB VAL A 34 11.025 4.517 -13.823 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.297 3.773 -14.191 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.810 3.877 -14.472 1.00 0.00 C ATOM 0 H VAL A 34 9.023 5.524 -12.744 1.00 0.00 H new ATOM 0 HA VAL A 34 10.836 3.585 -11.882 1.00 0.00 H new ATOM 0 HB VAL A 34 11.118 5.534 -14.204 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.395 3.734 -15.276 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.157 4.291 -13.767 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.253 2.759 -13.794 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.956 3.831 -15.551 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.677 2.869 -14.080 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.924 4.472 -14.251 1.00 0.00 H new ATOM 558 N SER A 35 11.799 6.679 -11.505 1.00 0.00 N ATOM 559 CA SER A 35 12.783 7.565 -10.881 1.00 0.00 C ATOM 560 C SER A 35 13.278 7.014 -9.545 1.00 0.00 C ATOM 561 O SER A 35 14.422 7.242 -9.155 1.00 0.00 O ATOM 562 CB SER A 35 12.158 8.938 -10.651 1.00 0.00 C ATOM 563 OG SER A 35 11.563 9.427 -11.836 1.00 0.00 O ATOM 0 H SER A 35 10.940 7.151 -11.787 1.00 0.00 H new ATOM 0 HA SER A 35 13.636 7.640 -11.555 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.408 8.873 -9.863 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.921 9.636 -10.308 1.00 0.00 H new ATOM 0 HG SER A 35 11.168 10.307 -11.665 1.00 0.00 H new ATOM 569 N VAL A 36 12.411 6.298 -8.846 1.00 0.00 N ATOM 570 CA VAL A 36 12.753 5.725 -7.562 1.00 0.00 C ATOM 571 C VAL A 36 13.599 4.471 -7.748 1.00 0.00 C ATOM 572 O VAL A 36 14.488 4.181 -6.951 1.00 0.00 O ATOM 573 CB VAL A 36 11.480 5.378 -6.766 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.826 4.960 -5.354 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.514 6.554 -6.762 1.00 0.00 C ATOM 0 H VAL A 36 11.459 6.101 -9.153 1.00 0.00 H new ATOM 0 HA VAL A 36 13.328 6.464 -7.004 1.00 0.00 H new ATOM 0 HB VAL A 36 10.990 4.536 -7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.912 4.720 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.472 4.083 -5.382 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.344 5.776 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.621 6.290 -6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.994 7.418 -6.301 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.234 6.798 -7.787 1.00 0.00 H new ATOM 585 N ILE A 37 13.328 3.743 -8.819 1.00 0.00 N ATOM 586 CA ILE A 37 14.045 2.510 -9.106 1.00 0.00 C ATOM 587 C ILE A 37 15.472 2.812 -9.559 1.00 0.00 C ATOM 588 O ILE A 37 16.431 2.249 -9.038 1.00 0.00 O ATOM 589 CB ILE A 37 13.331 1.675 -10.195 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.821 1.604 -9.932 1.00 0.00 C ATOM 591 CG2 ILE A 37 13.931 0.280 -10.264 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.446 1.033 -8.579 1.00 0.00 C ATOM 0 H ILE A 37 12.614 3.985 -9.506 1.00 0.00 H new ATOM 0 HA ILE A 37 14.068 1.930 -8.184 1.00 0.00 H new ATOM 0 HB ILE A 37 13.479 2.166 -11.157 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.402 2.607 -10.018 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.357 0.997 -10.710 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.420 -0.298 -11.034 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.991 0.352 -10.507 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.813 -0.215 -9.300 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.361 1.020 -8.478 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.831 0.017 -8.494 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.876 1.651 -7.791 1.00 0.00 H new ATOM 604 N LYS A 38 15.604 3.719 -10.516 1.00 0.00 N ATOM 605 CA LYS A 38 16.915 4.094 -11.043 1.00 0.00 C ATOM 606 C LYS A 38 17.813 4.663 -9.946 1.00 0.00 C ATOM 607 O LYS A 38 19.007 4.364 -9.895 1.00 0.00 O ATOM 608 CB LYS A 38 16.775 5.123 -12.166 1.00 0.00 C ATOM 609 CG LYS A 38 15.761 6.205 -11.862 1.00 0.00 C ATOM 610 CD LYS A 38 16.081 7.504 -12.572 1.00 0.00 C ATOM 611 CE LYS A 38 17.240 8.223 -11.905 1.00 0.00 C ATOM 612 NZ LYS A 38 17.361 9.627 -12.378 1.00 0.00 N ATOM 0 H LYS A 38 14.821 4.211 -10.946 1.00 0.00 H new ATOM 0 HA LYS A 38 17.375 3.188 -11.438 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.745 5.585 -12.350 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.486 4.612 -13.084 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.769 5.865 -12.160 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.729 6.379 -10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.327 7.301 -13.614 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.202 8.148 -12.572 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.100 8.214 -10.824 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.167 7.688 -12.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.163 10.086 -11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.519 9.635 -13.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.486 10.144 -12.159 1.00 0.00 H new ATOM 626 N VAL A 39 17.243 5.480 -9.066 1.00 0.00 N ATOM 627 CA VAL A 39 18.033 6.115 -8.020 1.00 0.00 C ATOM 628 C VAL A 39 18.447 5.095 -6.959 1.00 0.00 C ATOM 629 O VAL A 39 19.582 5.119 -6.484 1.00 0.00 O ATOM 630 CB VAL A 39 17.296 7.313 -7.364 1.00 0.00 C ATOM 631 CG1 VAL A 39 16.092 6.864 -6.550 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.250 8.127 -6.503 1.00 0.00 C ATOM 0 H VAL A 39 16.251 5.715 -9.056 1.00 0.00 H new ATOM 0 HA VAL A 39 18.928 6.512 -8.498 1.00 0.00 H new ATOM 0 HB VAL A 39 16.927 7.946 -8.171 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.606 7.734 -6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.387 6.345 -7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.419 6.191 -5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.712 8.961 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.661 7.494 -5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.062 8.510 -7.122 1.00 0.00 H new ATOM 642 N LYS A 40 17.546 4.169 -6.627 1.00 0.00 N ATOM 643 CA LYS A 40 17.839 3.172 -5.594 1.00 0.00 C ATOM 644 C LYS A 40 18.947 2.222 -6.053 1.00 0.00 C ATOM 645 O LYS A 40 19.788 1.811 -5.260 1.00 0.00 O ATOM 646 CB LYS A 40 16.578 2.390 -5.180 1.00 0.00 C ATOM 647 CG LYS A 40 16.001 1.476 -6.246 1.00 0.00 C ATOM 648 CD LYS A 40 14.800 0.682 -5.734 1.00 0.00 C ATOM 649 CE LYS A 40 13.743 1.585 -5.103 1.00 0.00 C ATOM 650 NZ LYS A 40 13.982 1.816 -3.650 1.00 0.00 N ATOM 0 H LYS A 40 16.621 4.088 -7.050 1.00 0.00 H new ATOM 0 HA LYS A 40 18.191 3.708 -4.713 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.815 1.791 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.810 3.104 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.701 2.071 -7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.772 0.786 -6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.355 0.125 -6.559 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.136 -0.050 -5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.731 2.543 -5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.759 1.137 -5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.127 1.565 -3.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.777 1.226 -3.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.209 2.818 -3.491 1.00 0.00 H new ATOM 664 N ILE A 41 18.959 1.895 -7.340 1.00 0.00 N ATOM 665 CA ILE A 41 20.006 1.045 -7.897 1.00 0.00 C ATOM 666 C ILE A 41 21.328 1.801 -7.944 1.00 0.00 C ATOM 667 O ILE A 41 22.382 1.261 -7.611 1.00 0.00 O ATOM 668 CB ILE A 41 19.637 0.566 -9.311 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.320 -0.204 -9.269 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.742 -0.305 -9.889 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.739 -0.469 -10.633 1.00 0.00 C ATOM 0 H ILE A 41 18.259 2.203 -8.015 1.00 0.00 H new ATOM 0 HA ILE A 41 20.108 0.173 -7.251 1.00 0.00 H new ATOM 0 HB ILE A 41 19.519 1.437 -9.956 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.479 -1.154 -8.759 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.598 0.358 -8.677 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.461 -0.633 -10.890 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.667 0.269 -9.942 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.891 -1.176 -9.250 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.804 -1.020 -10.530 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.548 0.478 -11.138 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.444 -1.058 -11.221 1.00 0.00 H new ATOM 683 N HIS A 42 21.248 3.061 -8.342 1.00 0.00 N ATOM 684 CA HIS A 42 22.410 3.950 -8.402 1.00 0.00 C ATOM 685 C HIS A 42 23.085 4.083 -7.033 1.00 0.00 C ATOM 686 O HIS A 42 24.301 4.249 -6.947 1.00 0.00 O ATOM 687 CB HIS A 42 21.972 5.326 -8.936 1.00 0.00 C ATOM 688 CG HIS A 42 22.972 6.432 -8.753 1.00 0.00 C ATOM 689 ND1 HIS A 42 22.843 7.413 -7.794 1.00 0.00 N ATOM 690 CD2 HIS A 42 24.095 6.735 -9.442 1.00 0.00 C ATOM 691 CE1 HIS A 42 23.842 8.269 -7.907 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.616 7.880 -8.900 1.00 0.00 N ATOM 0 H HIS A 42 20.376 3.502 -8.634 1.00 0.00 H new ATOM 0 HA HIS A 42 23.146 3.519 -9.081 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.750 5.231 -9.999 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.044 5.611 -8.440 1.00 0.00 H new ATOM 0 HD2 HIS A 42 24.507 6.176 -10.269 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.998 9.141 -7.290 1.00 0.00 H new ATOM 0 HE2 HIS A 42 25.463 8.353 -9.213 1.00 0.00 H new ATOM 701 N GLU A 43 22.293 4.006 -5.974 1.00 0.00 N ATOM 702 CA GLU A 43 22.811 4.137 -4.615 1.00 0.00 C ATOM 703 C GLU A 43 23.264 2.783 -4.077 1.00 0.00 C ATOM 704 O GLU A 43 24.185 2.697 -3.263 1.00 0.00 O ATOM 705 CB GLU A 43 21.742 4.730 -3.693 1.00 0.00 C ATOM 706 CG GLU A 43 21.293 6.129 -4.088 1.00 0.00 C ATOM 707 CD GLU A 43 22.407 7.150 -4.004 1.00 0.00 C ATOM 708 OE1 GLU A 43 23.201 7.249 -4.961 1.00 0.00 O ATOM 709 OE2 GLU A 43 22.494 7.859 -2.981 1.00 0.00 O ATOM 0 H GLU A 43 21.286 3.853 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 43 23.670 4.807 -4.642 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.875 4.069 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.130 4.758 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.904 6.106 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.473 6.439 -3.440 1.00 0.00 H new ATOM 716 N ALA A 44 22.609 1.727 -4.541 1.00 0.00 N ATOM 717 CA ALA A 44 22.888 0.380 -4.067 1.00 0.00 C ATOM 718 C ALA A 44 24.101 -0.225 -4.764 1.00 0.00 C ATOM 719 O ALA A 44 24.969 -0.813 -4.121 1.00 0.00 O ATOM 720 CB ALA A 44 21.669 -0.507 -4.273 1.00 0.00 C ATOM 0 H ALA A 44 21.877 1.779 -5.249 1.00 0.00 H new ATOM 0 HA ALA A 44 23.116 0.443 -3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.887 -1.513 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.824 -0.099 -3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.421 -0.545 -5.334 1.00 0.00 H new ATOM 726 N THR A 45 24.157 -0.098 -6.080 1.00 0.00 N ATOM 727 CA THR A 45 25.232 -0.701 -6.850 1.00 0.00 C ATOM 728 C THR A 45 26.313 0.325 -7.161 1.00 0.00 C ATOM 729 O THR A 45 27.504 0.042 -7.041 1.00 0.00 O ATOM 730 CB THR A 45 24.702 -1.307 -8.169 1.00 0.00 C ATOM 731 OG1 THR A 45 24.499 -0.284 -9.148 1.00 0.00 O ATOM 732 CG2 THR A 45 23.379 -2.010 -7.938 1.00 0.00 C ATOM 0 H THR A 45 23.473 0.416 -6.636 1.00 0.00 H new ATOM 0 HA THR A 45 25.659 -1.500 -6.244 1.00 0.00 H new ATOM 0 HB THR A 45 25.446 -2.020 -8.525 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.807 0.336 -8.835 1.00 0.00 H new ATOM 0 HG21 THR A 45 23.021 -2.430 -8.878 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.514 -2.811 -7.211 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.649 -1.295 -7.559 1.00 0.00 H new ATOM 740 N GLY A 46 25.882 1.517 -7.550 1.00 0.00 N ATOM 741 CA GLY A 46 26.804 2.570 -7.903 1.00 0.00 C ATOM 742 C GLY A 46 26.663 2.983 -9.352 1.00 0.00 C ATOM 743 O GLY A 46 27.341 3.898 -9.811 1.00 0.00 O ATOM 0 H GLY A 46 24.897 1.772 -7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.631 3.434 -7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.825 2.235 -7.719 1.00 0.00 H new ATOM 747 N MET A 47 25.779 2.309 -10.077 1.00 0.00 N ATOM 748 CA MET A 47 25.573 2.616 -11.486 1.00 0.00 C ATOM 749 C MET A 47 24.452 3.640 -11.673 1.00 0.00 C ATOM 750 O MET A 47 23.303 3.407 -11.299 1.00 0.00 O ATOM 751 CB MET A 47 25.272 1.342 -12.283 1.00 0.00 C ATOM 752 CG MET A 47 23.933 0.705 -11.948 1.00 0.00 C ATOM 753 SD MET A 47 23.833 -1.037 -12.416 1.00 0.00 S ATOM 754 CE MET A 47 23.864 -0.928 -14.205 1.00 0.00 C ATOM 0 H MET A 47 25.198 1.552 -9.716 1.00 0.00 H new ATOM 0 HA MET A 47 26.496 3.053 -11.867 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.295 1.578 -13.347 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.064 0.616 -12.100 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.753 0.797 -10.877 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.140 1.256 -12.453 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.248 -1.860 -14.620 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.854 -0.754 -14.576 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.509 -0.103 -14.508 1.00 0.00 H new ATOM 764 N PRO A 48 24.785 4.803 -12.233 1.00 0.00 N ATOM 765 CA PRO A 48 23.797 5.835 -12.544 1.00 0.00 C ATOM 766 C PRO A 48 22.858 5.411 -13.671 1.00 0.00 C ATOM 767 O PRO A 48 23.209 4.567 -14.499 1.00 0.00 O ATOM 768 CB PRO A 48 24.645 7.039 -12.961 1.00 0.00 C ATOM 769 CG PRO A 48 25.966 6.480 -13.364 1.00 0.00 C ATOM 770 CD PRO A 48 26.156 5.214 -12.576 1.00 0.00 C ATOM 0 HA PRO A 48 23.144 6.044 -11.697 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.180 7.579 -13.786 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.753 7.746 -12.138 1.00 0.00 H new ATOM 0 HG2 PRO A 48 25.990 6.277 -14.435 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.767 7.190 -13.156 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.667 4.451 -13.163 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.757 5.385 -11.683 1.00 0.00 H new ATOM 778 N ALA A 49 21.667 6.007 -13.702 1.00 0.00 N ATOM 779 CA ALA A 49 20.641 5.656 -14.681 1.00 0.00 C ATOM 780 C ALA A 49 21.101 5.946 -16.109 1.00 0.00 C ATOM 781 O ALA A 49 20.525 5.442 -17.075 1.00 0.00 O ATOM 782 CB ALA A 49 19.363 6.417 -14.384 1.00 0.00 C ATOM 0 H ALA A 49 21.388 6.743 -13.053 1.00 0.00 H new ATOM 0 HA ALA A 49 20.456 4.585 -14.602 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.602 6.151 -15.118 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.010 6.160 -13.385 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.557 7.488 -14.435 1.00 0.00 H new ATOM 788 N GLY A 50 22.147 6.760 -16.224 1.00 0.00 N ATOM 789 CA GLY A 50 22.716 7.098 -17.516 1.00 0.00 C ATOM 790 C GLY A 50 23.078 5.882 -18.349 1.00 0.00 C ATOM 791 O GLY A 50 23.040 5.932 -19.578 1.00 0.00 O ATOM 0 H GLY A 50 22.616 7.197 -15.431 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.004 7.710 -18.070 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.609 7.705 -17.365 1.00 0.00 H new ATOM 795 N LYS A 51 23.424 4.785 -17.688 1.00 0.00 N ATOM 796 CA LYS A 51 23.798 3.563 -18.390 1.00 0.00 C ATOM 797 C LYS A 51 23.042 2.375 -17.817 1.00 0.00 C ATOM 798 O LYS A 51 23.192 1.247 -18.269 1.00 0.00 O ATOM 799 CB LYS A 51 25.307 3.284 -18.304 1.00 0.00 C ATOM 800 CG LYS A 51 26.159 4.400 -17.697 1.00 0.00 C ATOM 801 CD LYS A 51 25.960 4.530 -16.188 1.00 0.00 C ATOM 802 CE LYS A 51 25.979 3.183 -15.495 1.00 0.00 C ATOM 803 NZ LYS A 51 27.248 2.452 -15.746 1.00 0.00 N ATOM 0 H LYS A 51 23.454 4.716 -16.671 1.00 0.00 H new ATOM 0 HA LYS A 51 23.537 3.706 -19.438 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.457 2.378 -17.716 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.676 3.077 -19.308 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.211 4.205 -17.906 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.908 5.346 -18.177 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.744 5.163 -15.772 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.010 5.027 -15.989 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.847 3.324 -14.422 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.139 2.583 -15.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.282 1.600 -15.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.298 2.176 -16.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.054 3.067 -15.516 1.00 0.00 H new ATOM 817 N GLN A 52 22.246 2.643 -16.805 1.00 0.00 N ATOM 818 CA GLN A 52 21.455 1.624 -16.147 1.00 0.00 C ATOM 819 C GLN A 52 20.040 1.627 -16.719 1.00 0.00 C ATOM 820 O GLN A 52 19.301 2.600 -16.589 1.00 0.00 O ATOM 821 CB GLN A 52 21.501 1.909 -14.645 1.00 0.00 C ATOM 822 CG GLN A 52 20.333 1.399 -13.823 1.00 0.00 C ATOM 823 CD GLN A 52 19.512 2.525 -13.242 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.423 2.829 -13.715 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.087 3.221 -12.281 1.00 0.00 N ATOM 0 H GLN A 52 22.128 3.577 -16.413 1.00 0.00 H new ATOM 0 HA GLN A 52 21.849 0.622 -16.319 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.416 1.474 -14.243 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.572 2.988 -14.504 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.697 0.772 -14.448 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.706 0.769 -13.016 1.00 0.00 H new ATOM 0 HE21 GLN A 52 20.995 2.933 -11.916 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.624 4.048 -11.903 1.00 0.00 H new ATOM 834 N LYS A 53 19.698 0.547 -17.401 1.00 0.00 N ATOM 835 CA LYS A 53 18.413 0.434 -18.069 1.00 0.00 C ATOM 836 C LYS A 53 17.499 -0.497 -17.289 1.00 0.00 C ATOM 837 O LYS A 53 17.938 -1.534 -16.792 1.00 0.00 O ATOM 838 CB LYS A 53 18.598 -0.102 -19.490 1.00 0.00 C ATOM 839 CG LYS A 53 19.557 0.717 -20.347 1.00 0.00 C ATOM 840 CD LYS A 53 18.849 1.813 -21.137 1.00 0.00 C ATOM 841 CE LYS A 53 18.236 2.877 -20.241 1.00 0.00 C ATOM 842 NZ LYS A 53 17.638 3.986 -21.033 1.00 0.00 N ATOM 0 H LYS A 53 20.299 -0.271 -17.507 1.00 0.00 H new ATOM 0 HA LYS A 53 17.961 1.424 -18.118 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.963 -1.127 -19.435 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.626 -0.136 -19.983 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.315 1.168 -19.707 1.00 0.00 H new ATOM 0 HG3 LYS A 53 20.077 0.054 -21.039 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.560 2.282 -21.818 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.067 1.366 -21.751 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.470 2.425 -19.611 1.00 0.00 H new ATOM 0 HE3 LYS A 53 19.001 3.277 -19.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.230 4.692 -20.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.375 4.433 -21.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.891 3.608 -21.650 1.00 0.00 H new ATOM 856 N LEU A 54 16.233 -0.131 -17.184 1.00 0.00 N ATOM 857 CA LEU A 54 15.274 -0.931 -16.445 1.00 0.00 C ATOM 858 C LEU A 54 14.195 -1.444 -17.385 1.00 0.00 C ATOM 859 O LEU A 54 13.508 -0.669 -18.045 1.00 0.00 O ATOM 860 CB LEU A 54 14.654 -0.107 -15.320 1.00 0.00 C ATOM 861 CG LEU A 54 15.660 0.671 -14.468 1.00 0.00 C ATOM 862 CD1 LEU A 54 14.948 1.457 -13.383 1.00 0.00 C ATOM 863 CD2 LEU A 54 16.692 -0.272 -13.866 1.00 0.00 C ATOM 0 H LEU A 54 15.846 0.715 -17.602 1.00 0.00 H new ATOM 0 HA LEU A 54 15.789 -1.784 -16.003 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.944 0.597 -15.753 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.087 -0.773 -14.670 1.00 0.00 H new ATOM 0 HG LEU A 54 16.181 1.380 -15.112 1.00 0.00 H new ATOM 0 HD11 LEU A 54 15.681 2.003 -12.789 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.254 2.162 -13.840 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.397 0.771 -12.739 1.00 0.00 H new ATOM 0 HD21 LEU A 54 17.399 0.299 -13.264 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.190 -1.007 -13.237 1.00 0.00 H new ATOM 0 HD23 LEU A 54 17.227 -0.784 -14.666 1.00 0.00 H new ATOM 875 N GLN A 55 14.064 -2.751 -17.451 1.00 0.00 N ATOM 876 CA GLN A 55 13.147 -3.380 -18.383 1.00 0.00 C ATOM 877 C GLN A 55 12.005 -4.081 -17.651 1.00 0.00 C ATOM 878 O GLN A 55 12.217 -5.066 -16.951 1.00 0.00 O ATOM 879 CB GLN A 55 13.917 -4.368 -19.257 1.00 0.00 C ATOM 880 CG GLN A 55 13.038 -5.302 -20.070 1.00 0.00 C ATOM 881 CD GLN A 55 13.840 -6.264 -20.925 1.00 0.00 C ATOM 882 OE1 GLN A 55 14.204 -7.351 -20.480 1.00 0.00 O ATOM 883 NE2 GLN A 55 14.097 -5.879 -22.166 1.00 0.00 N ATOM 0 H GLN A 55 14.584 -3.405 -16.866 1.00 0.00 H new ATOM 0 HA GLN A 55 12.702 -2.609 -19.013 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.559 -3.809 -19.937 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.570 -4.965 -18.621 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.397 -5.870 -19.396 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.383 -4.712 -20.711 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.776 -4.968 -22.494 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.616 -6.493 -22.793 1.00 0.00 H new ATOM 892 N TYR A 56 10.799 -3.578 -17.832 1.00 0.00 N ATOM 893 CA TYR A 56 9.614 -4.168 -17.221 1.00 0.00 C ATOM 894 C TYR A 56 8.846 -4.955 -18.247 1.00 0.00 C ATOM 895 O TYR A 56 8.292 -4.393 -19.183 1.00 0.00 O ATOM 896 CB TYR A 56 8.735 -3.082 -16.601 1.00 0.00 C ATOM 897 CG TYR A 56 7.340 -3.538 -16.190 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.155 -4.626 -15.343 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.209 -2.867 -16.641 1.00 0.00 C ATOM 900 CE1 TYR A 56 5.887 -5.033 -14.967 1.00 0.00 C ATOM 901 CE2 TYR A 56 4.941 -3.269 -16.271 1.00 0.00 C ATOM 902 CZ TYR A 56 4.783 -4.350 -15.434 1.00 0.00 C ATOM 903 OH TYR A 56 3.518 -4.746 -15.060 1.00 0.00 O ATOM 0 H TYR A 56 10.609 -2.754 -18.402 1.00 0.00 H new ATOM 0 HA TYR A 56 9.926 -4.845 -16.426 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.243 -2.682 -15.724 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.638 -2.263 -17.314 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.016 -5.162 -14.972 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.325 -2.014 -17.294 1.00 0.00 H new ATOM 0 HE1 TYR A 56 5.762 -5.882 -14.311 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.076 -2.737 -16.637 1.00 0.00 H new ATOM 0 HH TYR A 56 2.854 -4.157 -15.477 1.00 0.00 H new ATOM 913 N GLU A 57 8.859 -6.268 -18.073 1.00 0.00 N ATOM 914 CA GLU A 57 8.162 -7.182 -18.961 1.00 0.00 C ATOM 915 C GLU A 57 8.629 -7.021 -20.406 1.00 0.00 C ATOM 916 O GLU A 57 7.881 -7.278 -21.350 1.00 0.00 O ATOM 917 CB GLU A 57 6.661 -6.948 -18.842 1.00 0.00 C ATOM 918 CG GLU A 57 6.133 -7.291 -17.465 1.00 0.00 C ATOM 919 CD GLU A 57 6.329 -8.754 -17.124 1.00 0.00 C ATOM 920 OE1 GLU A 57 5.506 -9.584 -17.556 1.00 0.00 O ATOM 921 OE2 GLU A 57 7.322 -9.086 -16.444 1.00 0.00 O ATOM 0 H GLU A 57 9.355 -6.729 -17.310 1.00 0.00 H new ATOM 0 HA GLU A 57 8.392 -8.206 -18.665 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.440 -5.904 -19.064 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.142 -7.549 -19.588 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.638 -6.676 -16.721 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.072 -7.047 -17.414 1.00 0.00 H new ATOM 928 N GLY A 58 9.885 -6.625 -20.565 1.00 0.00 N ATOM 929 CA GLY A 58 10.459 -6.486 -21.889 1.00 0.00 C ATOM 930 C GLY A 58 10.419 -5.057 -22.392 1.00 0.00 C ATOM 931 O GLY A 58 10.771 -4.786 -23.539 1.00 0.00 O ATOM 0 H GLY A 58 10.518 -6.397 -19.798 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.492 -6.833 -21.872 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.919 -7.128 -22.585 1.00 0.00 H new ATOM 935 N ILE A 59 10.022 -4.135 -21.525 1.00 0.00 N ATOM 936 CA ILE A 59 9.865 -2.745 -21.908 1.00 0.00 C ATOM 937 C ILE A 59 10.915 -1.906 -21.206 1.00 0.00 C ATOM 938 O ILE A 59 10.974 -1.888 -19.977 1.00 0.00 O ATOM 939 CB ILE A 59 8.462 -2.214 -21.535 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.388 -3.241 -21.911 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.197 -0.880 -22.226 1.00 0.00 C ATOM 942 CD1 ILE A 59 6.007 -2.904 -21.391 1.00 0.00 C ATOM 0 H ILE A 59 9.803 -4.330 -20.548 1.00 0.00 H new ATOM 0 HA ILE A 59 9.984 -2.676 -22.989 1.00 0.00 H new ATOM 0 HB ILE A 59 8.424 -2.055 -20.457 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.346 -3.327 -22.997 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.682 -4.217 -21.526 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.205 -0.520 -21.953 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.946 -0.153 -21.913 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.250 -1.013 -23.307 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.304 -3.678 -21.699 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.032 -2.848 -20.303 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.690 -1.943 -21.797 1.00 0.00 H new ATOM 954 N PHE A 60 11.757 -1.242 -21.978 1.00 0.00 N ATOM 955 CA PHE A 60 12.768 -0.365 -21.410 1.00 0.00 C ATOM 956 C PHE A 60 12.123 0.895 -20.868 1.00 0.00 C ATOM 957 O PHE A 60 11.923 1.871 -21.593 1.00 0.00 O ATOM 958 CB PHE A 60 13.841 -0.011 -22.439 1.00 0.00 C ATOM 959 CG PHE A 60 14.767 -1.148 -22.755 1.00 0.00 C ATOM 960 CD1 PHE A 60 15.020 -2.133 -21.812 1.00 0.00 C ATOM 961 CD2 PHE A 60 15.399 -1.224 -23.984 1.00 0.00 C ATOM 962 CE1 PHE A 60 15.883 -3.173 -22.091 1.00 0.00 C ATOM 963 CE2 PHE A 60 16.262 -2.262 -24.271 1.00 0.00 C ATOM 964 CZ PHE A 60 16.505 -3.239 -23.322 1.00 0.00 C ATOM 0 H PHE A 60 11.762 -1.292 -22.997 1.00 0.00 H new ATOM 0 HA PHE A 60 13.253 -0.897 -20.592 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.357 0.319 -23.358 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.426 0.831 -22.067 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.536 -2.086 -20.848 1.00 0.00 H new ATOM 0 HD2 PHE A 60 15.215 -0.462 -24.727 1.00 0.00 H new ATOM 0 HE1 PHE A 60 16.072 -3.934 -21.348 1.00 0.00 H new ATOM 0 HE2 PHE A 60 16.747 -2.312 -25.235 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.180 -4.052 -23.544 1.00 0.00 H new ATOM 974 N ILE A 61 11.776 0.853 -19.593 1.00 0.00 N ATOM 975 CA ILE A 61 11.100 1.970 -18.948 1.00 0.00 C ATOM 976 C ILE A 61 12.090 3.083 -18.627 1.00 0.00 C ATOM 977 O ILE A 61 13.289 2.842 -18.471 1.00 0.00 O ATOM 978 CB ILE A 61 10.360 1.530 -17.663 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.330 1.416 -16.475 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.629 0.217 -17.908 1.00 0.00 C ATOM 981 CD1 ILE A 61 11.019 0.281 -15.519 1.00 0.00 C ATOM 0 H ILE A 61 11.951 0.056 -18.981 1.00 0.00 H new ATOM 0 HA ILE A 61 10.355 2.346 -19.649 1.00 0.00 H new ATOM 0 HB ILE A 61 9.624 2.292 -17.407 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.342 1.284 -16.859 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.319 2.355 -15.921 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.110 -0.086 -16.998 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.905 0.348 -18.712 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.348 -0.553 -18.189 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.752 0.274 -14.712 1.00 0.00 H new ATOM 0 HD12 ILE A 61 10.021 0.419 -15.102 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.060 -0.667 -16.055 1.00 0.00 H new ATOM 993 N LYS A 62 11.585 4.302 -18.545 1.00 0.00 N ATOM 994 CA LYS A 62 12.431 5.457 -18.318 1.00 0.00 C ATOM 995 C LYS A 62 12.000 6.228 -17.076 1.00 0.00 C ATOM 996 O LYS A 62 10.873 6.082 -16.597 1.00 0.00 O ATOM 997 CB LYS A 62 12.379 6.366 -19.542 1.00 0.00 C ATOM 998 CG LYS A 62 11.009 6.976 -19.773 1.00 0.00 C ATOM 999 CD LYS A 62 10.760 7.242 -21.242 1.00 0.00 C ATOM 1000 CE LYS A 62 9.455 7.992 -21.449 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.178 8.242 -22.883 1.00 0.00 N ATOM 0 H LYS A 62 10.592 4.516 -18.633 1.00 0.00 H new ATOM 0 HA LYS A 62 13.452 5.111 -18.155 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.111 7.165 -19.425 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.669 5.795 -20.424 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.241 6.304 -19.389 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.926 7.908 -19.214 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.586 7.822 -21.655 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.730 6.298 -21.786 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.635 7.419 -21.016 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.495 8.942 -20.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.279 8.756 -22.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.947 8.811 -23.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.114 7.335 -23.387 1.00 0.00 H new ATOM 1015 N ASP A 63 12.910 7.058 -16.583 1.00 0.00 N ATOM 1016 CA ASP A 63 12.677 7.903 -15.411 1.00 0.00 C ATOM 1017 C ASP A 63 11.427 8.768 -15.574 1.00 0.00 C ATOM 1018 O ASP A 63 10.738 9.072 -14.604 1.00 0.00 O ATOM 1019 CB ASP A 63 13.909 8.793 -15.201 1.00 0.00 C ATOM 1020 CG ASP A 63 13.701 9.881 -14.168 1.00 0.00 C ATOM 1021 OD1 ASP A 63 13.981 9.638 -12.981 1.00 0.00 O ATOM 1022 OD2 ASP A 63 13.274 10.992 -14.544 1.00 0.00 O ATOM 0 H ASP A 63 13.840 7.167 -16.987 1.00 0.00 H new ATOM 0 HA ASP A 63 12.514 7.263 -14.544 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.750 8.170 -14.896 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.181 9.253 -16.151 1.00 0.00 H new ATOM 1027 N SER A 64 11.125 9.126 -16.814 1.00 0.00 N ATOM 1028 CA SER A 64 10.009 10.018 -17.111 1.00 0.00 C ATOM 1029 C SER A 64 8.658 9.350 -16.847 1.00 0.00 C ATOM 1030 O SER A 64 7.627 10.025 -16.785 1.00 0.00 O ATOM 1031 CB SER A 64 10.083 10.468 -18.569 1.00 0.00 C ATOM 1032 OG SER A 64 11.362 10.996 -18.876 1.00 0.00 O ATOM 0 H SER A 64 11.640 8.811 -17.636 1.00 0.00 H new ATOM 0 HA SER A 64 10.089 10.880 -16.449 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.868 9.624 -19.225 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.320 11.222 -18.759 1.00 0.00 H new ATOM 0 HG SER A 64 11.384 11.275 -19.815 1.00 0.00 H new ATOM 1038 N ASN A 65 8.662 8.034 -16.679 1.00 0.00 N ATOM 1039 CA ASN A 65 7.428 7.296 -16.498 1.00 0.00 C ATOM 1040 C ASN A 65 7.264 6.876 -15.053 1.00 0.00 C ATOM 1041 O ASN A 65 8.142 7.106 -14.220 1.00 0.00 O ATOM 1042 CB ASN A 65 7.389 6.064 -17.399 1.00 0.00 C ATOM 1043 CG ASN A 65 7.362 6.416 -18.870 1.00 0.00 C ATOM 1044 OD1 ASN A 65 6.892 7.482 -19.261 1.00 0.00 O ATOM 1045 ND2 ASN A 65 7.851 5.511 -19.698 1.00 0.00 N ATOM 0 H ASN A 65 9.506 7.461 -16.665 1.00 0.00 H new ATOM 0 HA ASN A 65 6.605 7.956 -16.773 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.260 5.442 -17.195 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.509 5.469 -17.156 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.848 5.685 -20.703 1.00 0.00 H new ATOM 0 HD22 ASN A 65 8.232 4.638 -19.332 1.00 0.00 H new ATOM 1052 N SER A 66 6.153 6.233 -14.762 1.00 0.00 N ATOM 1053 CA SER A 66 5.830 5.873 -13.407 1.00 0.00 C ATOM 1054 C SER A 66 5.341 4.438 -13.343 1.00 0.00 C ATOM 1055 O SER A 66 5.112 3.802 -14.376 1.00 0.00 O ATOM 1056 CB SER A 66 4.773 6.834 -12.873 1.00 0.00 C ATOM 1057 OG SER A 66 3.599 6.792 -13.665 1.00 0.00 O ATOM 0 H SER A 66 5.458 5.950 -15.453 1.00 0.00 H new ATOM 0 HA SER A 66 6.723 5.947 -12.786 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.530 6.576 -11.842 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.172 7.848 -12.862 1.00 0.00 H new ATOM 0 HG SER A 66 2.936 7.415 -13.301 1.00 0.00 H new ATOM 1063 N LEU A 67 5.186 3.932 -12.136 1.00 0.00 N ATOM 1064 CA LEU A 67 4.724 2.572 -11.940 1.00 0.00 C ATOM 1065 C LEU A 67 3.272 2.446 -12.390 1.00 0.00 C ATOM 1066 O LEU A 67 2.904 1.490 -13.073 1.00 0.00 O ATOM 1067 CB LEU A 67 4.864 2.195 -10.467 1.00 0.00 C ATOM 1068 CG LEU A 67 6.186 2.626 -9.824 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.166 2.370 -8.332 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.365 1.913 -10.467 1.00 0.00 C ATOM 0 H LEU A 67 5.374 4.444 -11.274 1.00 0.00 H new ATOM 0 HA LEU A 67 5.330 1.891 -12.538 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.041 2.643 -9.910 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.763 1.114 -10.370 1.00 0.00 H new ATOM 0 HG LEU A 67 6.303 3.697 -9.990 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.115 2.684 -7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.353 2.936 -7.877 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.016 1.306 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.290 2.238 -9.991 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.251 0.836 -10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.400 2.153 -11.530 1.00 0.00 H new ATOM 1082 N ALA A 68 2.459 3.432 -12.008 1.00 0.00 N ATOM 1083 CA ALA A 68 1.058 3.499 -12.419 1.00 0.00 C ATOM 1084 C ALA A 68 0.923 3.550 -13.936 1.00 0.00 C ATOM 1085 O ALA A 68 -0.035 3.025 -14.499 1.00 0.00 O ATOM 1086 CB ALA A 68 0.382 4.712 -11.793 1.00 0.00 C ATOM 0 H ALA A 68 2.752 4.203 -11.408 1.00 0.00 H new ATOM 0 HA ALA A 68 0.565 2.592 -12.068 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.661 4.750 -12.107 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.431 4.636 -10.707 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.892 5.620 -12.116 1.00 0.00 H new ATOM 1092 N TYR A 69 1.892 4.178 -14.589 1.00 0.00 N ATOM 1093 CA TYR A 69 1.902 4.284 -16.042 1.00 0.00 C ATOM 1094 C TYR A 69 1.989 2.901 -16.682 1.00 0.00 C ATOM 1095 O TYR A 69 1.265 2.598 -17.631 1.00 0.00 O ATOM 1096 CB TYR A 69 3.082 5.156 -16.487 1.00 0.00 C ATOM 1097 CG TYR A 69 3.205 5.320 -17.983 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.544 6.344 -18.648 1.00 0.00 C ATOM 1099 CD2 TYR A 69 3.989 4.453 -18.730 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.660 6.497 -20.015 1.00 0.00 C ATOM 1101 CE2 TYR A 69 4.112 4.597 -20.095 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.445 5.621 -20.736 1.00 0.00 C ATOM 1103 OH TYR A 69 3.561 5.772 -22.103 1.00 0.00 O ATOM 0 H TYR A 69 2.687 4.625 -14.131 1.00 0.00 H new ATOM 0 HA TYR A 69 0.972 4.749 -16.369 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.982 6.142 -16.032 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.005 4.721 -16.104 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.929 7.032 -18.087 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.513 3.650 -18.233 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.139 7.298 -20.518 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.727 3.912 -20.660 1.00 0.00 H new ATOM 0 HH TYR A 69 4.150 5.075 -22.460 1.00 0.00 H new ATOM 1113 N TYR A 70 2.880 2.069 -16.156 1.00 0.00 N ATOM 1114 CA TYR A 70 3.058 0.712 -16.666 1.00 0.00 C ATOM 1115 C TYR A 70 2.135 -0.282 -15.966 1.00 0.00 C ATOM 1116 O TYR A 70 2.178 -1.478 -16.247 1.00 0.00 O ATOM 1117 CB TYR A 70 4.511 0.275 -16.508 1.00 0.00 C ATOM 1118 CG TYR A 70 5.450 0.952 -17.478 1.00 0.00 C ATOM 1119 CD1 TYR A 70 5.598 0.472 -18.773 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.187 2.068 -17.103 1.00 0.00 C ATOM 1121 CE1 TYR A 70 6.450 1.088 -19.669 1.00 0.00 C ATOM 1122 CE2 TYR A 70 7.040 2.688 -17.993 1.00 0.00 C ATOM 1123 CZ TYR A 70 7.169 2.194 -19.273 1.00 0.00 C ATOM 1124 OH TYR A 70 8.023 2.810 -20.159 1.00 0.00 O ATOM 0 H TYR A 70 3.492 2.309 -15.376 1.00 0.00 H new ATOM 0 HA TYR A 70 2.796 0.722 -17.724 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.838 0.487 -15.490 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.575 -0.804 -16.645 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.038 -0.397 -19.085 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.091 2.456 -16.100 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.552 0.705 -20.674 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.604 3.557 -17.688 1.00 0.00 H new ATOM 0 HH TYR A 70 7.502 3.259 -20.857 1.00 0.00 H new ATOM 1134 N ASN A 71 1.311 0.229 -15.051 1.00 0.00 N ATOM 1135 CA ASN A 71 0.314 -0.578 -14.338 1.00 0.00 C ATOM 1136 C ASN A 71 0.978 -1.634 -13.457 1.00 0.00 C ATOM 1137 O ASN A 71 0.408 -2.701 -13.232 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.641 -1.270 -15.324 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.400 -0.304 -16.220 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -1.743 -0.640 -17.355 1.00 0.00 O ATOM 1141 ND2 ASN A 71 -1.690 0.890 -15.721 1.00 0.00 N ATOM 0 H ASN A 71 1.314 1.213 -14.782 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.254 0.103 -13.704 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.070 -1.957 -15.948 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.357 -1.870 -14.762 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.213 1.563 -16.281 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.390 1.135 -14.777 1.00 0.00 H new ATOM 1148 N MET A 72 2.167 -1.318 -12.944 1.00 0.00 N ATOM 1149 CA MET A 72 2.928 -2.254 -12.111 1.00 0.00 C ATOM 1150 C MET A 72 2.159 -2.663 -10.856 1.00 0.00 C ATOM 1151 O MET A 72 2.147 -1.949 -9.855 1.00 0.00 O ATOM 1152 CB MET A 72 4.271 -1.648 -11.699 1.00 0.00 C ATOM 1153 CG MET A 72 5.198 -1.366 -12.864 1.00 0.00 C ATOM 1154 SD MET A 72 6.822 -0.807 -12.322 1.00 0.00 S ATOM 1155 CE MET A 72 7.697 -0.703 -13.877 1.00 0.00 C ATOM 0 H MET A 72 2.626 -0.419 -13.090 1.00 0.00 H new ATOM 0 HA MET A 72 3.096 -3.144 -12.718 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.089 -0.719 -11.158 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.769 -2.327 -11.007 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.308 -2.269 -13.465 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.751 -0.608 -13.507 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.735 -1.003 -13.731 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.227 -1.365 -14.604 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.664 0.322 -14.245 1.00 0.00 H new ATOM 1165 N ALA A 73 1.507 -3.810 -10.926 1.00 0.00 N ATOM 1166 CA ALA A 73 0.808 -4.367 -9.776 1.00 0.00 C ATOM 1167 C ALA A 73 1.763 -5.194 -8.919 1.00 0.00 C ATOM 1168 O ALA A 73 2.975 -5.192 -9.152 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.366 -5.218 -10.240 1.00 0.00 C ATOM 0 H ALA A 73 1.446 -4.378 -11.771 1.00 0.00 H new ATOM 0 HA ALA A 73 0.426 -3.547 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.882 -5.630 -9.373 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.057 -4.602 -10.815 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.000 -6.033 -10.865 1.00 0.00 H new ATOM 1175 N ASN A 74 1.225 -5.893 -7.927 1.00 0.00 N ATOM 1176 CA ASN A 74 2.044 -6.742 -7.071 1.00 0.00 C ATOM 1177 C ASN A 74 2.656 -7.878 -7.871 1.00 0.00 C ATOM 1178 O ASN A 74 1.944 -8.727 -8.412 1.00 0.00 O ATOM 1179 CB ASN A 74 1.230 -7.312 -5.904 1.00 0.00 C ATOM 1180 CG ASN A 74 1.316 -6.455 -4.658 1.00 0.00 C ATOM 1181 OD1 ASN A 74 2.228 -6.614 -3.849 1.00 0.00 O ATOM 1182 ND2 ASN A 74 0.364 -5.553 -4.484 1.00 0.00 N ATOM 0 H ASN A 74 0.231 -5.889 -7.696 1.00 0.00 H new ATOM 0 HA ASN A 74 2.841 -6.121 -6.663 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.187 -7.404 -6.205 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.586 -8.316 -5.675 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.370 -4.959 -3.655 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.376 -5.452 -5.179 1.00 0.00 H new ATOM 1189 N GLY A 75 3.977 -7.879 -7.952 1.00 0.00 N ATOM 1190 CA GLY A 75 4.677 -8.914 -8.673 1.00 0.00 C ATOM 1191 C GLY A 75 5.331 -8.400 -9.937 1.00 0.00 C ATOM 1192 O GLY A 75 5.663 -9.181 -10.824 1.00 0.00 O ATOM 0 H GLY A 75 4.579 -7.174 -7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.438 -9.352 -8.026 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.978 -9.711 -8.928 1.00 0.00 H new ATOM 1196 N ALA A 76 5.531 -7.090 -10.026 1.00 0.00 N ATOM 1197 CA ALA A 76 6.153 -6.507 -11.206 1.00 0.00 C ATOM 1198 C ALA A 76 7.637 -6.848 -11.238 1.00 0.00 C ATOM 1199 O ALA A 76 8.403 -6.428 -10.369 1.00 0.00 O ATOM 1200 CB ALA A 76 5.943 -5.005 -11.222 1.00 0.00 C ATOM 0 H ALA A 76 5.274 -6.418 -9.303 1.00 0.00 H new ATOM 0 HA ALA A 76 5.685 -6.926 -12.097 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.413 -4.581 -12.110 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.875 -4.787 -11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.390 -4.566 -10.330 1.00 0.00 H new ATOM 1206 N VAL A 77 8.034 -7.630 -12.234 1.00 0.00 N ATOM 1207 CA VAL A 77 9.416 -8.060 -12.361 1.00 0.00 C ATOM 1208 C VAL A 77 10.168 -7.170 -13.335 1.00 0.00 C ATOM 1209 O VAL A 77 9.983 -7.257 -14.552 1.00 0.00 O ATOM 1210 CB VAL A 77 9.520 -9.530 -12.827 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.973 -9.980 -12.863 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.700 -10.444 -11.929 1.00 0.00 C ATOM 0 H VAL A 77 7.415 -7.979 -12.966 1.00 0.00 H new ATOM 0 HA VAL A 77 9.866 -7.980 -11.371 1.00 0.00 H new ATOM 0 HB VAL A 77 9.114 -9.593 -13.837 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.025 -11.017 -13.193 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.532 -9.350 -13.555 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.405 -9.895 -11.866 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.790 -11.473 -12.278 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.068 -10.374 -10.905 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.654 -10.141 -11.959 1.00 0.00 H new ATOM 1222 N ILE A 78 11.001 -6.301 -12.798 1.00 0.00 N ATOM 1223 CA ILE A 78 11.825 -5.439 -13.625 1.00 0.00 C ATOM 1224 C ILE A 78 13.177 -6.091 -13.816 1.00 0.00 C ATOM 1225 O ILE A 78 13.655 -6.812 -12.949 1.00 0.00 O ATOM 1226 CB ILE A 78 12.030 -4.032 -13.014 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.735 -3.522 -12.374 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.509 -3.054 -14.078 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.521 -3.641 -13.265 1.00 0.00 C ATOM 0 H ILE A 78 11.126 -6.172 -11.794 1.00 0.00 H new ATOM 0 HA ILE A 78 11.306 -5.308 -14.575 1.00 0.00 H new ATOM 0 HB ILE A 78 12.792 -4.108 -12.238 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.553 -4.077 -11.454 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.867 -2.477 -12.095 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.648 -2.070 -13.631 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.456 -3.402 -14.492 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.767 -2.990 -14.874 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.645 -3.259 -12.740 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.679 -3.062 -14.175 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.361 -4.688 -13.524 1.00 0.00 H new ATOM 1241 N HIS A 79 13.778 -5.857 -14.955 1.00 0.00 N ATOM 1242 CA HIS A 79 15.066 -6.440 -15.270 1.00 0.00 C ATOM 1243 C HIS A 79 16.079 -5.332 -15.390 1.00 0.00 C ATOM 1244 O HIS A 79 15.955 -4.470 -16.258 1.00 0.00 O ATOM 1245 CB HIS A 79 15.016 -7.221 -16.592 1.00 0.00 C ATOM 1246 CG HIS A 79 14.003 -8.325 -16.629 1.00 0.00 C ATOM 1247 ND1 HIS A 79 14.291 -9.598 -17.061 1.00 0.00 N ATOM 1248 CD2 HIS A 79 12.687 -8.325 -16.325 1.00 0.00 C ATOM 1249 CE1 HIS A 79 13.194 -10.330 -17.025 1.00 0.00 C ATOM 1250 NE2 HIS A 79 12.203 -9.581 -16.580 1.00 0.00 N ATOM 0 H HIS A 79 13.395 -5.261 -15.689 1.00 0.00 H new ATOM 0 HA HIS A 79 15.340 -7.133 -14.475 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.803 -6.524 -17.402 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.002 -7.644 -16.786 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.119 -7.487 -15.949 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.120 -11.369 -17.312 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.239 -9.886 -16.448 1.00 0.00 H new ATOM 1259 N LEU A 80 17.048 -5.325 -14.502 1.00 0.00 N ATOM 1260 CA LEU A 80 18.118 -4.359 -14.593 1.00 0.00 C ATOM 1261 C LEU A 80 19.124 -4.824 -15.628 1.00 0.00 C ATOM 1262 O LEU A 80 19.540 -5.982 -15.629 1.00 0.00 O ATOM 1263 CB LEU A 80 18.808 -4.160 -13.244 1.00 0.00 C ATOM 1264 CG LEU A 80 20.088 -3.318 -13.299 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.804 -1.941 -13.866 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.722 -3.198 -11.930 1.00 0.00 C ATOM 0 H LEU A 80 17.117 -5.971 -13.716 1.00 0.00 H new ATOM 0 HA LEU A 80 17.694 -3.400 -14.891 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.106 -3.685 -12.558 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.050 -5.138 -12.827 1.00 0.00 H new ATOM 0 HG LEU A 80 20.790 -3.828 -13.958 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.727 -1.362 -13.895 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.405 -2.038 -14.876 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.076 -1.431 -13.235 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.628 -2.596 -12.000 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.021 -2.721 -11.245 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.974 -4.191 -11.558 1.00 0.00 H new ATOM 1278 N ALA A 81 19.493 -3.932 -16.513 1.00 0.00 N ATOM 1279 CA ALA A 81 20.430 -4.257 -17.558 1.00 0.00 C ATOM 1280 C ALA A 81 21.332 -3.074 -17.835 1.00 0.00 C ATOM 1281 O ALA A 81 20.917 -1.920 -17.716 1.00 0.00 O ATOM 1282 CB ALA A 81 19.677 -4.664 -18.807 1.00 0.00 C ATOM 0 H ALA A 81 19.156 -2.969 -16.530 1.00 0.00 H new ATOM 0 HA ALA A 81 21.054 -5.092 -17.239 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.387 -4.909 -19.596 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.059 -5.535 -18.591 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.042 -3.840 -19.134 1.00 0.00 H new ATOM 1288 N LEU A 82 22.570 -3.355 -18.180 1.00 0.00 N ATOM 1289 CA LEU A 82 23.504 -2.306 -18.510 1.00 0.00 C ATOM 1290 C LEU A 82 23.321 -1.903 -19.963 1.00 0.00 C ATOM 1291 O LEU A 82 23.116 -2.752 -20.827 1.00 0.00 O ATOM 1292 CB LEU A 82 24.939 -2.761 -18.250 1.00 0.00 C ATOM 1293 CG LEU A 82 26.002 -1.675 -18.406 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.696 -0.492 -17.503 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.373 -2.237 -18.085 1.00 0.00 C ATOM 0 H LEU A 82 22.950 -4.300 -18.239 1.00 0.00 H new ATOM 0 HA LEU A 82 23.309 -1.442 -17.875 1.00 0.00 H new ATOM 0 HB2 LEU A 82 24.998 -3.163 -17.239 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.174 -3.578 -18.932 1.00 0.00 H new ATOM 0 HG LEU A 82 25.994 -1.330 -19.440 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.465 0.270 -17.629 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.724 -0.075 -17.767 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.679 -0.822 -16.464 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.123 -1.454 -18.199 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.385 -2.604 -17.059 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.598 -3.058 -18.766 1.00 0.00 H new