USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 976 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 89 THR OG1 : rot 161:sc= -0.282 USER MOD Set 1.2: A 92 GLN :FLIP amide:sc= 0.319 F(o=-4!,f=0.037) USER MOD Set 2.1: A 39 GLN :FLIP amide:sc= -4.58! C(o=-10!,f=-8.9!) USER MOD Set 2.2: A 44 ASN : amide:sc= -3.69! C(o=-8.9!,f=-10!) USER MOD Set 2.3: A 56 TYR OH : rot -140:sc= -0.656 USER MOD Set 3.1: A 32 SER OG : rot 96:sc= -1.4! USER MOD Set 3.2: A 58 THR OG1 : rot -170:sc= 0.851 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.193 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 0.348 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.036 F(o=-0.73,f=-0.036) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.283 F(o=-2.9!,f=-0.28) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.0202 F(o=-1.4!,f=-0.02) USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= 1.21 (180deg=1.16) USER MOD Single : A 23 GLN : amide:sc= -1.88! C(o=-1.9!,f=-3.4!) USER MOD Single : A 26 ASN : amide:sc= 0.722 K(o=0.72,f=-0.14) USER MOD Single : A 42 SER OG : rot 97:sc= 1.16 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.51 F(o=-2.7!,f=-1.5) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -148:sc= 1.2 (180deg=0.816) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= -1.58 (180deg=-2.11) USER MOD Single : A 61 SER OG : rot 151:sc= -0.627 USER MOD Single : A 72 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -158:sc= 2.48 (180deg=1.22) USER MOD Single : A 78 MET CE :methyl 158:sc= -2.04! (180deg=-2.42) USER MOD Single : A 79 GLN :FLIP amide:sc= -2.5! C(o=-6.1!,f=-2.5!) USER MOD Single : A 81 ASN :FLIP amide:sc= -3.87! C(o=-5!,f=-3.9!) USER MOD Single : A 85 MET CE :methyl 171:sc= -4.19! (180deg=-4.4!) USER MOD Single : A 86 THR OG1 : rot 85:sc= 1.44 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-3.4) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -36:sc= 0.6 USER MOD Single : A 99 LYS NZ :NH3+ 170:sc= 1.15 (180deg=1.11) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0362 USER MOD Single : A 110 THR OG1 : rot -48:sc= 0.35 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.361 F(o=-1.6,f=-0.36) USER MOD Single : A 113 SER OG : rot -35:sc= 0.525 USER MOD Single : A 115 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.2!) USER MOD Single : A 116 LYS NZ :NH3+ 166:sc= -0.0263 (180deg=-0.249) USER MOD Single : A 119 GLN : amide:sc= -0.0624 X(o=-0.062,f=-0.062) USER MOD Single : A 120 GLN : amide:sc= -0.227 K(o=-0.23,f=-0.77) USER MOD Single : A 121 SER OG : rot -44:sc= 0.0877 USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= -0.0944 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.562 -19.575 -21.025 1.00 0.00 N ATOM 2 CA GLY A 1 3.235 -18.155 -21.057 1.00 0.00 C ATOM 3 C GLY A 1 3.830 -17.465 -19.876 1.00 0.00 C ATOM 4 O GLY A 1 4.559 -18.093 -19.101 1.00 0.00 O ATOM 0 H1 GLY A 1 4.038 -19.842 -21.910 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.192 -19.768 -20.221 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.689 -20.130 -20.921 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.612 -17.708 -21.977 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.153 -18.023 -21.058 1.00 0.00 H new ATOM 10 N SER A 2 3.555 -16.201 -19.720 1.00 0.00 N ATOM 11 CA SER A 2 4.064 -15.462 -18.609 1.00 0.00 C ATOM 12 C SER A 2 2.918 -15.013 -17.720 1.00 0.00 C ATOM 13 O SER A 2 2.138 -14.121 -18.090 1.00 0.00 O ATOM 14 CB SER A 2 4.887 -14.267 -19.107 1.00 0.00 C ATOM 15 OG SER A 2 4.126 -13.469 -20.010 1.00 0.00 O ATOM 0 H SER A 2 2.973 -15.659 -20.359 1.00 0.00 H new ATOM 0 HA SER A 2 4.721 -16.099 -18.018 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.206 -13.661 -18.259 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.790 -14.623 -19.602 1.00 0.00 H new ATOM 0 HG SER A 2 3.198 -13.420 -19.700 1.00 0.00 H new ATOM 21 N TYR A 3 2.759 -15.680 -16.610 1.00 0.00 N ATOM 22 CA TYR A 3 1.747 -15.317 -15.650 1.00 0.00 C ATOM 23 C TYR A 3 2.296 -14.149 -14.827 1.00 0.00 C ATOM 24 O TYR A 3 3.358 -14.266 -14.198 1.00 0.00 O ATOM 25 CB TYR A 3 1.401 -16.528 -14.750 1.00 0.00 C ATOM 26 CG TYR A 3 0.194 -16.325 -13.843 1.00 0.00 C ATOM 27 CD1 TYR A 3 0.255 -15.472 -12.766 1.00 0.00 C ATOM 28 CD2 TYR A 3 -1.006 -16.992 -14.075 1.00 0.00 C ATOM 29 CE1 TYR A 3 -0.818 -15.276 -11.936 1.00 0.00 C ATOM 30 CE2 TYR A 3 -2.100 -16.801 -13.243 1.00 0.00 C ATOM 31 CZ TYR A 3 -1.997 -15.939 -12.170 1.00 0.00 C ATOM 32 OH TYR A 3 -3.077 -15.741 -11.328 1.00 0.00 O ATOM 0 H TYR A 3 3.323 -16.487 -16.344 1.00 0.00 H new ATOM 0 HA TYR A 3 0.825 -15.018 -16.149 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.219 -17.395 -15.385 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.267 -16.763 -14.132 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.175 -14.941 -12.569 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -1.086 -17.667 -14.914 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.736 -14.600 -11.098 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.026 -17.323 -13.434 1.00 0.00 H new ATOM 0 HH TYR A 3 -3.834 -16.284 -11.634 1.00 0.00 H new ATOM 42 N ILE A 4 1.611 -13.034 -14.864 1.00 0.00 N ATOM 43 CA ILE A 4 2.071 -11.832 -14.179 1.00 0.00 C ATOM 44 C ILE A 4 1.681 -11.819 -12.660 1.00 0.00 C ATOM 45 O ILE A 4 2.575 -11.728 -11.813 1.00 0.00 O ATOM 46 CB ILE A 4 1.594 -10.521 -14.904 1.00 0.00 C ATOM 47 CG1 ILE A 4 2.012 -10.521 -16.400 1.00 0.00 C ATOM 48 CG2 ILE A 4 2.117 -9.268 -14.200 1.00 0.00 C ATOM 49 CD1 ILE A 4 3.511 -10.604 -16.653 1.00 0.00 C ATOM 0 H ILE A 4 0.727 -12.924 -15.361 1.00 0.00 H new ATOM 0 HA ILE A 4 3.160 -11.854 -14.226 1.00 0.00 H new ATOM 0 HB ILE A 4 0.505 -10.504 -14.854 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.529 -11.363 -16.896 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.630 -9.613 -16.868 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.768 -8.381 -14.729 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.750 -9.247 -13.174 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.207 -9.282 -14.195 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.700 -10.598 -17.727 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.006 -9.749 -16.192 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.902 -11.525 -16.221 1.00 0.00 H new ATOM 61 N PRO A 5 0.352 -11.908 -12.289 1.00 0.00 N ATOM 62 CA PRO A 5 -0.086 -11.869 -10.871 1.00 0.00 C ATOM 63 C PRO A 5 0.260 -13.100 -10.015 1.00 0.00 C ATOM 64 O PRO A 5 1.227 -13.824 -10.271 1.00 0.00 O ATOM 65 CB PRO A 5 -1.605 -11.653 -10.970 1.00 0.00 C ATOM 66 CG PRO A 5 -1.994 -12.191 -12.298 1.00 0.00 C ATOM 67 CD PRO A 5 -0.819 -11.993 -13.207 1.00 0.00 C ATOM 0 HA PRO A 5 0.451 -11.083 -10.340 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.129 -12.172 -10.167 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.858 -10.596 -10.885 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.253 -13.247 -12.226 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.872 -11.673 -12.683 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.715 -12.822 -13.908 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.925 -11.085 -13.801 1.00 0.00 H new ATOM 75 N GLY A 6 -0.487 -13.262 -8.948 1.00 0.00 N ATOM 76 CA GLY A 6 -0.365 -14.396 -8.072 1.00 0.00 C ATOM 77 C GLY A 6 -1.614 -14.498 -7.261 1.00 0.00 C ATOM 78 O GLY A 6 -1.581 -14.551 -6.026 1.00 0.00 O ATOM 0 H GLY A 6 -1.206 -12.598 -8.663 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.212 -15.307 -8.650 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.502 -14.282 -7.421 1.00 0.00 H new ATOM 82 N GLN A 7 -2.729 -14.464 -7.963 1.00 0.00 N ATOM 83 CA GLN A 7 -4.038 -14.438 -7.338 1.00 0.00 C ATOM 84 C GLN A 7 -4.478 -15.801 -6.817 1.00 0.00 C ATOM 85 O GLN A 7 -4.450 -16.806 -7.549 1.00 0.00 O ATOM 86 CB GLN A 7 -5.095 -13.866 -8.294 1.00 0.00 C ATOM 87 CG GLN A 7 -6.507 -13.822 -7.709 1.00 0.00 C ATOM 88 CD GLN A 7 -7.559 -13.260 -8.653 1.00 0.00 C ATOM 89 OE1 GLN A 7 -7.169 -12.385 -9.539 1.00 0.00 O flip ATOM 90 NE2 GLN A 7 -8.729 -13.628 -8.585 1.00 0.00 N flip ATOM 0 H GLN A 7 -2.754 -14.454 -8.983 1.00 0.00 H new ATOM 0 HA GLN A 7 -3.947 -13.781 -6.473 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -4.801 -12.857 -8.582 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -5.109 -14.466 -9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.799 -14.831 -7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.493 -13.220 -6.800 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.008 -14.313 -7.883 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.421 -13.248 -9.231 1.00 0.00 H new ATOM 99 N PRO A 8 -4.864 -15.852 -5.536 1.00 0.00 N ATOM 100 CA PRO A 8 -5.446 -17.027 -4.937 1.00 0.00 C ATOM 101 C PRO A 8 -6.973 -17.065 -5.228 1.00 0.00 C ATOM 102 O PRO A 8 -7.375 -17.271 -6.365 1.00 0.00 O ATOM 103 CB PRO A 8 -5.145 -16.827 -3.444 1.00 0.00 C ATOM 104 CG PRO A 8 -5.189 -15.348 -3.256 1.00 0.00 C ATOM 105 CD PRO A 8 -4.724 -14.749 -4.560 1.00 0.00 C ATOM 0 HA PRO A 8 -5.054 -17.971 -5.316 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.882 -17.330 -2.818 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.170 -17.233 -3.177 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.198 -15.016 -3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.544 -15.040 -2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.331 -13.888 -4.842 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.692 -14.404 -4.494 1.00 0.00 H new ATOM 113 N VAL A 9 -7.803 -16.795 -4.227 1.00 0.00 N ATOM 114 CA VAL A 9 -9.265 -16.800 -4.406 1.00 0.00 C ATOM 115 C VAL A 9 -9.938 -15.676 -3.608 1.00 0.00 C ATOM 116 O VAL A 9 -10.704 -14.899 -4.150 1.00 0.00 O ATOM 117 CB VAL A 9 -9.943 -18.188 -4.073 1.00 0.00 C ATOM 118 CG1 VAL A 9 -9.567 -19.246 -5.091 1.00 0.00 C ATOM 119 CG2 VAL A 9 -9.586 -18.678 -2.677 1.00 0.00 C ATOM 0 H VAL A 9 -7.497 -16.569 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.421 -16.622 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.019 -18.021 -4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.050 -20.188 -4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.894 -18.930 -6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.485 -19.381 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.074 -19.635 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.506 -18.801 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.922 -17.950 -1.939 1.00 0.00 H new ATOM 129 N THR A 10 -9.604 -15.579 -2.327 1.00 0.00 N ATOM 130 CA THR A 10 -10.185 -14.579 -1.435 1.00 0.00 C ATOM 131 C THR A 10 -9.615 -13.195 -1.733 1.00 0.00 C ATOM 132 O THR A 10 -10.245 -12.159 -1.472 1.00 0.00 O ATOM 133 CB THR A 10 -9.898 -14.961 0.051 1.00 0.00 C ATOM 134 OG1 THR A 10 -10.505 -14.035 0.958 1.00 0.00 O ATOM 135 CG2 THR A 10 -8.399 -15.028 0.331 1.00 0.00 C ATOM 0 H THR A 10 -8.923 -16.190 -1.876 1.00 0.00 H new ATOM 0 HA THR A 10 -11.262 -14.554 -1.600 1.00 0.00 H new ATOM 0 HB THR A 10 -10.333 -15.948 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.308 -14.303 1.880 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.235 -15.296 1.375 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.942 -15.779 -0.313 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.948 -14.056 0.131 1.00 0.00 H new ATOM 143 N ALA A 11 -8.451 -13.194 -2.305 1.00 0.00 N ATOM 144 CA ALA A 11 -7.752 -11.999 -2.574 1.00 0.00 C ATOM 145 C ALA A 11 -7.576 -11.832 -4.045 1.00 0.00 C ATOM 146 O ALA A 11 -7.357 -12.805 -4.768 1.00 0.00 O ATOM 147 CB ALA A 11 -6.416 -12.021 -1.890 1.00 0.00 C ATOM 0 H ALA A 11 -7.962 -14.040 -2.598 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.328 -11.156 -2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.883 -11.094 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.560 -12.118 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.834 -12.867 -2.256 1.00 0.00 H new ATOM 153 N VAL A 12 -7.679 -10.620 -4.483 1.00 0.00 N ATOM 154 CA VAL A 12 -7.507 -10.292 -5.864 1.00 0.00 C ATOM 155 C VAL A 12 -6.321 -9.372 -5.990 1.00 0.00 C ATOM 156 O VAL A 12 -6.167 -8.426 -5.201 1.00 0.00 O ATOM 157 CB VAL A 12 -8.793 -9.653 -6.495 1.00 0.00 C ATOM 158 CG1 VAL A 12 -8.523 -9.112 -7.896 1.00 0.00 C ATOM 159 CG2 VAL A 12 -9.904 -10.686 -6.571 1.00 0.00 C ATOM 0 H VAL A 12 -7.887 -9.819 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.329 -11.211 -6.423 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.093 -8.824 -5.855 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.437 -8.677 -8.301 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.748 -8.347 -7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.191 -9.925 -8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.793 -10.233 -7.010 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.580 -11.524 -7.189 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.137 -11.044 -5.568 1.00 0.00 H new ATOM 169 N VAL A 13 -5.453 -9.708 -6.901 1.00 0.00 N ATOM 170 CA VAL A 13 -4.294 -8.917 -7.198 1.00 0.00 C ATOM 171 C VAL A 13 -4.652 -8.070 -8.394 1.00 0.00 C ATOM 172 O VAL A 13 -5.132 -8.600 -9.397 1.00 0.00 O ATOM 173 CB VAL A 13 -3.089 -9.802 -7.593 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.792 -9.004 -7.665 1.00 0.00 C ATOM 175 CG2 VAL A 13 -2.955 -11.042 -6.712 1.00 0.00 C ATOM 0 H VAL A 13 -5.532 -10.553 -7.467 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.017 -8.331 -6.322 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.293 -10.166 -8.600 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.973 -9.666 -7.946 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.892 -8.214 -8.409 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.583 -8.561 -6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.093 -11.626 -7.034 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.820 -10.738 -5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.857 -11.648 -6.798 1.00 0.00 H new ATOM 185 N GLN A 14 -4.462 -6.800 -8.301 1.00 0.00 N ATOM 186 CA GLN A 14 -4.786 -5.920 -9.391 1.00 0.00 C ATOM 187 C GLN A 14 -3.657 -4.931 -9.587 1.00 0.00 C ATOM 188 O GLN A 14 -2.949 -4.589 -8.613 1.00 0.00 O ATOM 189 CB GLN A 14 -6.155 -5.240 -9.142 1.00 0.00 C ATOM 190 CG GLN A 14 -6.234 -4.355 -7.905 1.00 0.00 C ATOM 191 CD GLN A 14 -6.083 -2.877 -8.228 1.00 0.00 C ATOM 192 OE1 GLN A 14 -4.872 -2.402 -8.258 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -7.068 -2.182 -8.482 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.081 -6.335 -7.477 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.888 -6.484 -10.318 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.405 -4.637 -10.015 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.917 -6.016 -9.061 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.190 -4.518 -7.408 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.455 -4.650 -7.202 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.002 -2.590 -8.448 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.949 -1.199 -8.726 1.00 0.00 H new ATOM 202 N ARG A 15 -3.475 -4.475 -10.797 1.00 0.00 N ATOM 203 CA ARG A 15 -2.388 -3.582 -11.098 1.00 0.00 C ATOM 204 C ARG A 15 -2.882 -2.146 -11.082 1.00 0.00 C ATOM 205 O ARG A 15 -4.013 -1.863 -11.482 1.00 0.00 O ATOM 206 CB ARG A 15 -1.686 -3.976 -12.445 1.00 0.00 C ATOM 207 CG ARG A 15 -2.524 -3.841 -13.723 1.00 0.00 C ATOM 208 CD ARG A 15 -2.588 -2.397 -14.202 1.00 0.00 C ATOM 209 NE ARG A 15 -3.527 -2.201 -15.297 1.00 0.00 N ATOM 210 CZ ARG A 15 -4.588 -1.378 -15.230 1.00 0.00 C ATOM 211 NH1 ARG A 15 -4.974 -0.869 -14.059 1.00 0.00 N ATOM 212 NH2 ARG A 15 -5.297 -1.117 -16.320 1.00 0.00 N ATOM 0 H ARG A 15 -4.068 -4.708 -11.594 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.623 -3.671 -10.327 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.794 -3.360 -12.557 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.352 -5.010 -12.365 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.096 -4.466 -14.507 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.533 -4.208 -13.537 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.873 -1.756 -13.368 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.595 -2.082 -14.522 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.371 -2.717 -16.163 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.463 -1.104 -13.208 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.780 -0.245 -14.015 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.038 -1.541 -17.211 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.102 -0.492 -16.268 1.00 0.00 H new ATOM 226 N VAL A 16 -2.066 -1.264 -10.625 1.00 0.00 N ATOM 227 CA VAL A 16 -2.415 0.123 -10.539 1.00 0.00 C ATOM 228 C VAL A 16 -1.271 0.944 -11.113 1.00 0.00 C ATOM 229 O VAL A 16 -0.137 0.481 -11.110 1.00 0.00 O ATOM 230 CB VAL A 16 -2.710 0.494 -9.063 1.00 0.00 C ATOM 231 CG1 VAL A 16 -1.494 0.464 -8.181 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.510 1.759 -8.916 1.00 0.00 C ATOM 0 H VAL A 16 -1.125 -1.480 -10.295 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.316 0.334 -11.115 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.353 -0.306 -8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.776 0.734 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.066 -0.539 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.756 1.175 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.681 1.961 -7.859 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.962 2.590 -9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.468 1.645 -9.423 1.00 0.00 H new ATOM 242 N GLU A 17 -1.549 2.128 -11.603 1.00 0.00 N ATOM 243 CA GLU A 17 -0.528 2.912 -12.261 1.00 0.00 C ATOM 244 C GLU A 17 -0.587 4.364 -11.849 1.00 0.00 C ATOM 245 O GLU A 17 -1.500 5.095 -12.220 1.00 0.00 O ATOM 246 CB GLU A 17 -0.648 2.749 -13.774 1.00 0.00 C ATOM 247 CG GLU A 17 0.402 3.481 -14.588 1.00 0.00 C ATOM 248 CD GLU A 17 0.364 3.047 -16.038 1.00 0.00 C ATOM 249 OE1 GLU A 17 0.965 2.003 -16.377 1.00 0.00 O ATOM 250 OE2 GLU A 17 -0.296 3.701 -16.859 1.00 0.00 O ATOM 0 H GLU A 17 -2.468 2.569 -11.560 1.00 0.00 H new ATOM 0 HA GLU A 17 0.449 2.542 -11.949 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.596 1.687 -14.014 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.633 3.098 -14.084 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.234 4.556 -14.522 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.391 3.286 -14.172 1.00 0.00 H new ATOM 257 N ILE A 18 0.376 4.771 -11.084 1.00 0.00 N ATOM 258 CA ILE A 18 0.450 6.121 -10.621 1.00 0.00 C ATOM 259 C ILE A 18 1.416 6.906 -11.483 1.00 0.00 C ATOM 260 O ILE A 18 2.504 6.428 -11.813 1.00 0.00 O ATOM 261 CB ILE A 18 0.835 6.257 -9.096 1.00 0.00 C ATOM 262 CG1 ILE A 18 -0.361 6.013 -8.160 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.456 7.607 -8.789 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.826 4.589 -8.022 1.00 0.00 C ATOM 0 H ILE A 18 1.137 4.173 -10.761 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.555 6.533 -10.709 1.00 0.00 H new ATOM 0 HB ILE A 18 1.574 5.478 -8.909 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.100 6.384 -7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.199 6.613 -8.514 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.706 7.660 -7.729 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.361 7.735 -9.383 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.747 8.398 -9.034 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.673 4.548 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.130 4.209 -8.998 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.013 3.977 -7.631 1.00 0.00 H new ATOM 276 N HIS A 19 0.987 8.069 -11.880 1.00 0.00 N ATOM 277 CA HIS A 19 1.801 8.983 -12.633 1.00 0.00 C ATOM 278 C HIS A 19 2.365 10.032 -11.679 1.00 0.00 C ATOM 279 O HIS A 19 1.715 10.369 -10.690 1.00 0.00 O ATOM 280 CB HIS A 19 0.957 9.688 -13.697 1.00 0.00 C ATOM 281 CG HIS A 19 0.430 8.844 -14.808 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.580 7.529 -15.068 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.377 9.338 -15.802 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 -0.134 7.213 -16.220 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.691 8.344 -16.615 1.00 0.00 N flip ATOM 0 H HIS A 19 0.047 8.416 -11.687 1.00 0.00 H new ATOM 0 HA HIS A 19 2.605 8.433 -13.121 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.111 10.162 -13.200 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.558 10.486 -14.133 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.700 10.364 -15.903 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.216 6.245 -16.692 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.285 8.438 -17.439 1.00 0.00 H new ATOM 293 N LYS A 20 3.567 10.508 -11.980 1.00 0.00 N ATOM 294 CA LYS A 20 4.272 11.572 -11.215 1.00 0.00 C ATOM 295 C LYS A 20 3.382 12.715 -10.683 1.00 0.00 C ATOM 296 O LYS A 20 2.763 13.466 -11.450 1.00 0.00 O ATOM 297 CB LYS A 20 5.401 12.157 -12.078 1.00 0.00 C ATOM 298 CG LYS A 20 4.990 12.493 -13.519 1.00 0.00 C ATOM 299 CD LYS A 20 6.181 12.923 -14.365 1.00 0.00 C ATOM 300 CE LYS A 20 5.787 13.135 -15.823 1.00 0.00 C ATOM 301 NZ LYS A 20 6.969 13.352 -16.690 1.00 0.00 N ATOM 0 H LYS A 20 4.105 10.169 -12.777 1.00 0.00 H new ATOM 0 HA LYS A 20 4.657 11.077 -10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.775 13.062 -11.600 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.227 11.446 -12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.517 11.622 -13.974 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.246 13.290 -13.508 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.599 13.846 -13.963 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.963 12.166 -14.305 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.231 12.268 -16.178 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.120 13.994 -15.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.659 13.707 -17.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.602 14.048 -16.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.477 12.453 -16.816 1.00 0.00 H new ATOM 315 N LEU A 21 3.321 12.824 -9.379 1.00 0.00 N ATOM 316 CA LEU A 21 2.630 13.903 -8.720 1.00 0.00 C ATOM 317 C LEU A 21 3.629 14.712 -7.908 1.00 0.00 C ATOM 318 O LEU A 21 4.360 14.166 -7.090 1.00 0.00 O ATOM 319 CB LEU A 21 1.538 13.368 -7.798 1.00 0.00 C ATOM 320 CG LEU A 21 0.820 14.417 -6.938 1.00 0.00 C ATOM 321 CD1 LEU A 21 0.000 15.369 -7.801 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.040 13.759 -5.875 1.00 0.00 C ATOM 0 H LEU A 21 3.755 12.159 -8.739 1.00 0.00 H new ATOM 0 HA LEU A 21 2.162 14.533 -9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.794 12.853 -8.406 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.980 12.623 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 21 1.582 15.006 -6.428 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.497 16.101 -7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.658 15.884 -8.501 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.748 14.804 -8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.536 14.527 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.790 13.129 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.588 13.148 -5.226 1.00 0.00 H new ATOM 334 N ARG A 22 3.679 15.985 -8.137 1.00 0.00 N ATOM 335 CA ARG A 22 4.588 16.823 -7.404 1.00 0.00 C ATOM 336 C ARG A 22 3.859 17.435 -6.235 1.00 0.00 C ATOM 337 O ARG A 22 2.795 18.027 -6.407 1.00 0.00 O ATOM 338 CB ARG A 22 5.140 17.923 -8.292 1.00 0.00 C ATOM 339 CG ARG A 22 5.815 17.412 -9.548 1.00 0.00 C ATOM 340 CD ARG A 22 6.350 18.550 -10.376 1.00 0.00 C ATOM 341 NE ARG A 22 5.299 19.487 -10.790 1.00 0.00 N ATOM 342 CZ ARG A 22 5.526 20.707 -11.292 1.00 0.00 C ATOM 343 NH1 ARG A 22 6.778 21.126 -11.484 1.00 0.00 N ATOM 344 NH2 ARG A 22 4.505 21.493 -11.619 1.00 0.00 N ATOM 0 H ARG A 22 3.104 16.472 -8.824 1.00 0.00 H new ATOM 0 HA ARG A 22 5.421 16.216 -7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.327 18.592 -8.574 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.856 18.514 -7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.629 16.739 -9.279 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.104 16.832 -10.137 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.106 19.087 -9.804 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.845 18.150 -11.261 1.00 0.00 H new ATOM 0 HE ARG A 22 4.329 19.188 -10.688 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.561 20.517 -11.248 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.952 22.055 -11.866 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.548 21.167 -11.487 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.679 22.422 -12.001 1.00 0.00 H new ATOM 358 N GLN A 23 4.394 17.270 -5.058 1.00 0.00 N ATOM 359 CA GLN A 23 3.802 17.840 -3.881 1.00 0.00 C ATOM 360 C GLN A 23 4.825 18.709 -3.232 1.00 0.00 C ATOM 361 O GLN A 23 5.747 18.200 -2.600 1.00 0.00 O ATOM 362 CB GLN A 23 3.373 16.746 -2.914 1.00 0.00 C ATOM 363 CG GLN A 23 2.163 15.925 -3.352 1.00 0.00 C ATOM 364 CD GLN A 23 0.844 16.646 -3.158 1.00 0.00 C ATOM 365 OE1 GLN A 23 -0.112 16.432 -3.899 1.00 0.00 O ATOM 366 NE2 GLN A 23 0.760 17.467 -2.143 1.00 0.00 N ATOM 0 H GLN A 23 5.248 16.739 -4.888 1.00 0.00 H new ATOM 0 HA GLN A 23 2.918 18.417 -4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.214 16.070 -2.760 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.151 17.203 -1.950 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.273 15.662 -4.404 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.144 14.991 -2.790 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.572 17.624 -1.546 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.117 17.950 -1.949 1.00 0.00 H new ATOM 375 N GLY A 24 4.727 19.989 -3.459 1.00 0.00 N ATOM 376 CA GLY A 24 5.662 20.916 -2.884 1.00 0.00 C ATOM 377 C GLY A 24 6.984 20.851 -3.590 1.00 0.00 C ATOM 378 O GLY A 24 7.127 21.340 -4.711 1.00 0.00 O ATOM 0 H GLY A 24 4.006 20.416 -4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.262 21.928 -2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.799 20.692 -1.826 1.00 0.00 H new ATOM 382 N GLU A 25 7.941 20.226 -2.959 1.00 0.00 N ATOM 383 CA GLU A 25 9.250 20.070 -3.545 1.00 0.00 C ATOM 384 C GLU A 25 9.519 18.618 -3.877 1.00 0.00 C ATOM 385 O GLU A 25 10.557 18.285 -4.438 1.00 0.00 O ATOM 386 CB GLU A 25 10.319 20.565 -2.589 1.00 0.00 C ATOM 387 CG GLU A 25 10.224 22.031 -2.237 1.00 0.00 C ATOM 388 CD GLU A 25 11.216 22.402 -1.179 1.00 0.00 C ATOM 389 OE1 GLU A 25 12.400 22.618 -1.501 1.00 0.00 O ATOM 390 OE2 GLU A 25 10.840 22.445 0.011 1.00 0.00 O ATOM 0 H GLU A 25 7.840 19.813 -2.032 1.00 0.00 H new ATOM 0 HA GLU A 25 9.278 20.659 -4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.264 19.981 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.297 20.374 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.398 22.633 -3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.216 22.259 -1.890 1.00 0.00 H new ATOM 397 N ASN A 26 8.582 17.771 -3.571 1.00 0.00 N ATOM 398 CA ASN A 26 8.799 16.336 -3.691 1.00 0.00 C ATOM 399 C ASN A 26 8.004 15.793 -4.835 1.00 0.00 C ATOM 400 O ASN A 26 7.130 16.470 -5.389 1.00 0.00 O ATOM 401 CB ASN A 26 8.343 15.588 -2.420 1.00 0.00 C ATOM 402 CG ASN A 26 8.484 16.403 -1.178 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.524 16.417 -0.520 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.426 17.071 -0.845 1.00 0.00 N ATOM 0 H ASN A 26 7.656 18.036 -3.235 1.00 0.00 H new ATOM 0 HA ASN A 26 9.867 16.185 -3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.301 15.290 -2.535 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.926 14.673 -2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.429 17.644 -0.001 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.589 17.024 -1.427 1.00 0.00 H new ATOM 411 N LEU A 27 8.262 14.569 -5.136 1.00 0.00 N ATOM 412 CA LEU A 27 7.574 13.844 -6.153 1.00 0.00 C ATOM 413 C LEU A 27 7.000 12.650 -5.426 1.00 0.00 C ATOM 414 O LEU A 27 7.745 11.794 -4.959 1.00 0.00 O ATOM 415 CB LEU A 27 8.588 13.413 -7.245 1.00 0.00 C ATOM 416 CG LEU A 27 8.056 12.916 -8.615 1.00 0.00 C ATOM 417 CD1 LEU A 27 7.223 11.643 -8.509 1.00 0.00 C ATOM 418 CD2 LEU A 27 7.285 14.016 -9.316 1.00 0.00 C ATOM 0 H LEU A 27 8.984 14.023 -4.665 1.00 0.00 H new ATOM 0 HA LEU A 27 6.797 14.419 -6.657 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.245 14.261 -7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.206 12.619 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 27 8.928 12.657 -9.215 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.881 11.348 -9.501 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.831 10.845 -8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.361 11.825 -7.867 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.919 13.650 -10.275 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.440 14.319 -8.697 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.940 14.872 -9.480 1.00 0.00 H new ATOM 430 N ILE A 28 5.716 12.633 -5.242 1.00 0.00 N ATOM 431 CA ILE A 28 5.112 11.584 -4.481 1.00 0.00 C ATOM 432 C ILE A 28 4.105 10.889 -5.356 1.00 0.00 C ATOM 433 O ILE A 28 3.593 11.472 -6.301 1.00 0.00 O ATOM 434 CB ILE A 28 4.364 12.121 -3.211 1.00 0.00 C ATOM 435 CG1 ILE A 28 5.017 13.409 -2.680 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.352 11.057 -2.115 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.459 13.909 -1.356 1.00 0.00 C ATOM 0 H ILE A 28 5.068 13.331 -5.607 1.00 0.00 H new ATOM 0 HA ILE A 28 5.904 10.913 -4.148 1.00 0.00 H new ATOM 0 HB ILE A 28 3.339 12.352 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.087 13.236 -2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.899 14.194 -3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.830 11.443 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.841 10.166 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.377 10.803 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.980 14.820 -1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.395 14.119 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.601 13.147 -0.590 1.00 0.00 H new ATOM 449 N LEU A 29 3.814 9.666 -5.042 1.00 0.00 N ATOM 450 CA LEU A 29 2.804 8.914 -5.760 1.00 0.00 C ATOM 451 C LEU A 29 1.417 9.234 -5.195 1.00 0.00 C ATOM 452 O LEU A 29 0.405 8.648 -5.592 1.00 0.00 O ATOM 453 CB LEU A 29 3.089 7.423 -5.633 1.00 0.00 C ATOM 454 CG LEU A 29 4.451 6.932 -6.116 1.00 0.00 C ATOM 455 CD1 LEU A 29 4.537 5.423 -6.005 1.00 0.00 C ATOM 456 CD2 LEU A 29 4.781 7.413 -7.523 1.00 0.00 C ATOM 0 H LEU A 29 4.262 9.151 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 29 2.828 9.193 -6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.982 7.146 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.320 6.883 -6.185 1.00 0.00 H new ATOM 0 HG LEU A 29 5.207 7.369 -5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.514 5.088 -6.353 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.401 5.126 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.758 4.968 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.760 7.035 -7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.027 7.046 -8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.792 8.503 -7.542 1.00 0.00 H new ATOM 468 N GLY A 30 1.377 10.149 -4.246 1.00 0.00 N ATOM 469 CA GLY A 30 0.129 10.555 -3.659 1.00 0.00 C ATOM 470 C GLY A 30 -0.277 9.717 -2.455 1.00 0.00 C ATOM 471 O GLY A 30 -0.908 10.223 -1.535 1.00 0.00 O ATOM 0 H GLY A 30 2.199 10.622 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.202 11.600 -3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.655 10.496 -4.414 1.00 0.00 H new ATOM 475 N PHE A 31 0.038 8.446 -2.473 1.00 0.00 N ATOM 476 CA PHE A 31 -0.330 7.565 -1.389 1.00 0.00 C ATOM 477 C PHE A 31 0.852 7.339 -0.413 1.00 0.00 C ATOM 478 O PHE A 31 1.981 7.772 -0.687 1.00 0.00 O ATOM 479 CB PHE A 31 -0.874 6.241 -1.964 1.00 0.00 C ATOM 480 CG PHE A 31 0.125 5.367 -2.642 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.460 5.569 -3.955 1.00 0.00 C ATOM 482 CD2 PHE A 31 0.706 4.317 -1.962 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.361 4.741 -4.584 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.607 3.487 -2.577 1.00 0.00 C ATOM 485 CZ PHE A 31 1.939 3.696 -3.893 1.00 0.00 C ATOM 0 H PHE A 31 0.551 7.995 -3.230 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.120 8.034 -0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.331 5.675 -1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.666 6.474 -2.675 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.013 6.386 -4.502 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.447 4.146 -0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.616 4.909 -5.620 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.054 2.671 -2.028 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.648 3.046 -4.384 1.00 0.00 H new ATOM 495 N SER A 32 0.580 6.699 0.715 1.00 0.00 N ATOM 496 CA SER A 32 1.587 6.405 1.725 1.00 0.00 C ATOM 497 C SER A 32 1.624 4.915 2.012 1.00 0.00 C ATOM 498 O SER A 32 0.925 4.145 1.373 1.00 0.00 O ATOM 499 CB SER A 32 1.222 7.110 3.002 1.00 0.00 C ATOM 500 OG SER A 32 -0.030 6.664 3.472 1.00 0.00 O ATOM 0 H SER A 32 -0.353 6.366 0.957 1.00 0.00 H new ATOM 0 HA SER A 32 2.558 6.737 1.357 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.987 6.927 3.757 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.191 8.187 2.834 1.00 0.00 H new ATOM 0 HG SER A 32 0.103 5.961 4.142 1.00 0.00 H new ATOM 506 N ILE A 33 2.407 4.505 3.009 1.00 0.00 N ATOM 507 CA ILE A 33 2.464 3.112 3.378 1.00 0.00 C ATOM 508 C ILE A 33 2.404 2.987 4.892 1.00 0.00 C ATOM 509 O ILE A 33 2.611 3.972 5.604 1.00 0.00 O ATOM 510 CB ILE A 33 3.740 2.392 2.871 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.967 2.760 3.717 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.977 2.685 1.397 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.241 2.143 3.247 1.00 0.00 C ATOM 0 H ILE A 33 3.002 5.120 3.565 1.00 0.00 H new ATOM 0 HA ILE A 33 1.609 2.630 2.904 1.00 0.00 H new ATOM 0 HB ILE A 33 3.582 1.319 2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.081 3.844 3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.788 2.456 4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.878 2.169 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.123 2.337 0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.100 3.759 1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.058 2.454 3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.150 1.057 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.448 2.467 2.227 1.00 0.00 H new ATOM 525 N GLY A 34 2.141 1.796 5.371 1.00 0.00 N ATOM 526 CA GLY A 34 2.072 1.559 6.786 1.00 0.00 C ATOM 527 C GLY A 34 3.168 0.670 7.225 1.00 0.00 C ATOM 528 O GLY A 34 3.502 0.606 8.399 1.00 0.00 O ATOM 0 H GLY A 34 1.971 0.972 4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.131 2.507 7.321 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.111 1.110 7.037 1.00 0.00 H new ATOM 532 N GLY A 35 3.758 -0.009 6.284 1.00 0.00 N ATOM 533 CA GLY A 35 4.846 -0.855 6.602 1.00 0.00 C ATOM 534 C GLY A 35 4.597 -2.254 6.214 1.00 0.00 C ATOM 535 O GLY A 35 3.479 -2.605 5.878 1.00 0.00 O ATOM 0 H GLY A 35 3.498 0.013 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.743 -0.495 6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.040 -0.806 7.673 1.00 0.00 H new ATOM 539 N GLY A 36 5.651 -3.036 6.218 1.00 0.00 N ATOM 540 CA GLY A 36 5.547 -4.388 5.836 1.00 0.00 C ATOM 541 C GLY A 36 5.852 -5.333 6.935 1.00 0.00 C ATOM 542 O GLY A 36 5.096 -5.463 7.877 1.00 0.00 O ATOM 0 H GLY A 36 6.589 -2.738 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.537 -4.579 5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.227 -4.577 5.005 1.00 0.00 H new ATOM 546 N ILE A 37 6.976 -5.969 6.830 1.00 0.00 N ATOM 547 CA ILE A 37 7.369 -7.017 7.762 1.00 0.00 C ATOM 548 C ILE A 37 7.936 -6.440 9.031 1.00 0.00 C ATOM 549 O ILE A 37 7.970 -7.091 10.060 1.00 0.00 O ATOM 550 CB ILE A 37 8.434 -7.964 7.154 1.00 0.00 C ATOM 551 CG1 ILE A 37 9.858 -7.299 7.085 1.00 0.00 C ATOM 552 CG2 ILE A 37 7.969 -8.422 5.781 1.00 0.00 C ATOM 553 CD1 ILE A 37 10.004 -6.118 6.182 1.00 0.00 C ATOM 0 H ILE A 37 7.661 -5.786 6.097 1.00 0.00 H new ATOM 0 HA ILE A 37 6.461 -7.579 7.978 1.00 0.00 H new ATOM 0 HB ILE A 37 8.538 -8.829 7.809 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.140 -6.994 8.093 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.573 -8.059 6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.715 -9.089 5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.021 -8.951 5.876 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.838 -7.555 5.133 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.030 -5.753 6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.764 -6.410 5.160 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.324 -5.329 6.503 1.00 0.00 H new ATOM 565 N ASP A 38 8.376 -5.218 8.928 1.00 0.00 N ATOM 566 CA ASP A 38 9.061 -4.517 9.962 1.00 0.00 C ATOM 567 C ASP A 38 8.063 -3.839 10.892 1.00 0.00 C ATOM 568 O ASP A 38 8.409 -3.094 11.808 1.00 0.00 O ATOM 569 CB ASP A 38 9.929 -3.544 9.234 1.00 0.00 C ATOM 570 CG ASP A 38 9.205 -2.426 8.610 1.00 0.00 C ATOM 571 OD1 ASP A 38 8.314 -2.676 7.731 1.00 0.00 O ATOM 572 OD2 ASP A 38 9.532 -1.275 8.893 1.00 0.00 O ATOM 0 H ASP A 38 8.259 -4.664 8.080 1.00 0.00 H new ATOM 0 HA ASP A 38 9.655 -5.164 10.607 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.664 -3.140 9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.482 -4.078 8.461 1.00 0.00 H new ATOM 577 N GLN A 39 6.832 -4.099 10.606 1.00 0.00 N ATOM 578 CA GLN A 39 5.714 -3.651 11.403 1.00 0.00 C ATOM 579 C GLN A 39 5.270 -4.789 12.285 1.00 0.00 C ATOM 580 O GLN A 39 5.811 -5.898 12.194 1.00 0.00 O ATOM 581 CB GLN A 39 4.575 -3.249 10.479 1.00 0.00 C ATOM 582 CG GLN A 39 5.051 -2.405 9.388 1.00 0.00 C ATOM 583 CD GLN A 39 5.771 -1.196 9.871 1.00 0.00 C ATOM 584 OE1 GLN A 39 6.844 -0.947 9.241 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 5.428 -0.591 10.875 1.00 0.00 N flip ATOM 0 H GLN A 39 6.556 -4.644 9.789 1.00 0.00 H new ATOM 0 HA GLN A 39 6.002 -2.796 12.015 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.102 -4.142 10.071 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.813 -2.716 11.048 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.714 -2.986 8.747 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.204 -2.098 8.775 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.554 -0.833 11.342 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.015 0.156 11.246 1.00 0.00 H new ATOM 594 N ASP A 40 4.294 -4.560 13.105 1.00 0.00 N ATOM 595 CA ASP A 40 3.801 -5.609 13.947 1.00 0.00 C ATOM 596 C ASP A 40 2.327 -5.604 13.831 1.00 0.00 C ATOM 597 O ASP A 40 1.706 -4.602 14.145 1.00 0.00 O ATOM 598 CB ASP A 40 4.149 -5.401 15.402 1.00 0.00 C ATOM 599 CG ASP A 40 4.240 -6.721 16.127 1.00 0.00 C ATOM 600 OD1 ASP A 40 3.205 -7.234 16.639 1.00 0.00 O ATOM 601 OD2 ASP A 40 5.347 -7.296 16.170 1.00 0.00 O ATOM 0 H ASP A 40 3.823 -3.662 13.211 1.00 0.00 H new ATOM 0 HA ASP A 40 4.255 -6.547 13.628 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.099 -4.872 15.481 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.394 -4.773 15.875 1.00 0.00 H new ATOM 606 N PRO A 41 1.721 -6.705 13.413 1.00 0.00 N ATOM 607 CA PRO A 41 0.277 -6.770 13.189 1.00 0.00 C ATOM 608 C PRO A 41 -0.549 -6.365 14.412 1.00 0.00 C ATOM 609 O PRO A 41 -1.658 -5.870 14.287 1.00 0.00 O ATOM 610 CB PRO A 41 0.027 -8.218 12.799 1.00 0.00 C ATOM 611 CG PRO A 41 1.259 -8.965 13.177 1.00 0.00 C ATOM 612 CD PRO A 41 2.379 -7.985 13.119 1.00 0.00 C ATOM 0 HA PRO A 41 -0.035 -6.061 12.422 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.845 -8.616 13.317 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.170 -8.306 11.730 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.165 -9.389 14.177 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.434 -9.796 12.494 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.154 -8.216 13.849 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.856 -7.977 12.139 1.00 0.00 H new ATOM 620 N SER A 42 0.042 -6.508 15.577 1.00 0.00 N ATOM 621 CA SER A 42 -0.589 -6.152 16.822 1.00 0.00 C ATOM 622 C SER A 42 -0.803 -4.619 16.914 1.00 0.00 C ATOM 623 O SER A 42 -1.769 -4.152 17.510 1.00 0.00 O ATOM 624 CB SER A 42 0.316 -6.614 17.953 1.00 0.00 C ATOM 625 OG SER A 42 0.774 -7.943 17.707 1.00 0.00 O ATOM 0 H SER A 42 0.986 -6.880 15.685 1.00 0.00 H new ATOM 0 HA SER A 42 -1.566 -6.630 16.889 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.167 -5.940 18.046 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.224 -6.577 18.899 1.00 0.00 H new ATOM 0 HG SER A 42 1.667 -7.912 17.306 1.00 0.00 H new ATOM 631 N GLN A 43 0.079 -3.854 16.275 1.00 0.00 N ATOM 632 CA GLN A 43 0.046 -2.398 16.367 1.00 0.00 C ATOM 633 C GLN A 43 -0.071 -1.764 14.995 1.00 0.00 C ATOM 634 O GLN A 43 0.247 -0.590 14.804 1.00 0.00 O ATOM 635 CB GLN A 43 1.300 -1.887 17.094 1.00 0.00 C ATOM 636 CG GLN A 43 2.621 -2.260 16.459 1.00 0.00 C ATOM 637 CD GLN A 43 3.583 -2.855 17.457 1.00 0.00 C ATOM 638 OE1 GLN A 43 3.065 -3.627 18.374 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 4.800 -2.676 17.354 1.00 0.00 N flip ATOM 0 H GLN A 43 0.827 -4.220 15.686 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.836 -2.112 16.940 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.243 -0.800 17.159 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.287 -2.269 18.115 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.447 -2.974 15.654 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.069 -1.374 16.008 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.166 -2.065 16.624 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.440 -3.139 17.999 1.00 0.00 H new ATOM 648 N ASN A 44 -0.539 -2.523 14.050 1.00 0.00 N ATOM 649 CA ASN A 44 -0.678 -2.022 12.698 1.00 0.00 C ATOM 650 C ASN A 44 -2.104 -1.944 12.228 1.00 0.00 C ATOM 651 O ASN A 44 -2.897 -2.799 12.538 1.00 0.00 O ATOM 652 CB ASN A 44 0.201 -2.778 11.746 1.00 0.00 C ATOM 653 CG ASN A 44 1.610 -2.178 11.735 1.00 0.00 C ATOM 654 OD1 ASN A 44 2.449 -2.505 12.556 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.892 -1.320 10.788 1.00 0.00 N ATOM 0 H ASN A 44 -0.833 -3.491 14.181 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.333 -0.988 12.716 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.247 -3.827 12.038 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.224 -2.744 10.743 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.826 -0.914 10.729 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.178 -1.057 10.109 1.00 0.00 H new ATOM 662 N PRO A 45 -2.433 -0.909 11.434 1.00 0.00 N ATOM 663 CA PRO A 45 -3.814 -0.597 11.030 1.00 0.00 C ATOM 664 C PRO A 45 -4.448 -1.648 10.120 1.00 0.00 C ATOM 665 O PRO A 45 -5.559 -2.121 10.370 1.00 0.00 O ATOM 666 CB PRO A 45 -3.653 0.735 10.286 1.00 0.00 C ATOM 667 CG PRO A 45 -2.253 0.714 9.783 1.00 0.00 C ATOM 668 CD PRO A 45 -1.471 0.048 10.851 1.00 0.00 C ATOM 0 HA PRO A 45 -4.484 -0.563 11.889 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.368 0.821 9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.824 1.583 10.949 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.180 0.169 8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.886 1.723 9.596 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.593 -0.459 10.450 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.115 0.762 11.593 1.00 0.00 H new ATOM 676 N PHE A 46 -3.753 -2.002 9.068 1.00 0.00 N ATOM 677 CA PHE A 46 -4.271 -2.953 8.106 1.00 0.00 C ATOM 678 C PHE A 46 -3.599 -4.294 8.275 1.00 0.00 C ATOM 679 O PHE A 46 -3.645 -5.147 7.399 1.00 0.00 O ATOM 680 CB PHE A 46 -4.106 -2.401 6.686 1.00 0.00 C ATOM 681 CG PHE A 46 -4.758 -1.057 6.542 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.117 -0.948 6.319 1.00 0.00 C ATOM 683 CD2 PHE A 46 -4.011 0.100 6.671 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.713 0.290 6.231 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.604 1.333 6.580 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.950 1.429 6.363 1.00 0.00 C ATOM 0 H PHE A 46 -2.822 -1.646 8.852 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.336 -3.103 8.282 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.046 -2.320 6.446 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.543 -3.097 5.970 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.716 -1.840 6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.947 0.031 6.846 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.776 0.368 6.059 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.008 2.228 6.680 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.417 2.401 6.295 1.00 0.00 H new ATOM 696 N SER A 47 -2.985 -4.480 9.420 1.00 0.00 N ATOM 697 CA SER A 47 -2.351 -5.715 9.709 1.00 0.00 C ATOM 698 C SER A 47 -2.929 -6.274 11.005 1.00 0.00 C ATOM 699 O SER A 47 -2.522 -7.314 11.467 1.00 0.00 O ATOM 700 CB SER A 47 -0.857 -5.473 9.844 1.00 0.00 C ATOM 701 OG SER A 47 -0.102 -6.671 9.702 1.00 0.00 O ATOM 0 H SER A 47 -2.919 -3.781 10.159 1.00 0.00 H new ATOM 0 HA SER A 47 -2.522 -6.437 8.910 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.538 -4.753 9.090 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.649 -5.028 10.817 1.00 0.00 H new ATOM 0 HG SER A 47 0.853 -6.469 9.794 1.00 0.00 H new ATOM 707 N GLU A 48 -3.905 -5.586 11.569 1.00 0.00 N ATOM 708 CA GLU A 48 -4.446 -6.004 12.854 1.00 0.00 C ATOM 709 C GLU A 48 -5.561 -7.051 12.727 1.00 0.00 C ATOM 710 O GLU A 48 -5.961 -7.671 13.720 1.00 0.00 O ATOM 711 CB GLU A 48 -4.911 -4.826 13.712 1.00 0.00 C ATOM 712 CG GLU A 48 -5.910 -3.912 13.048 1.00 0.00 C ATOM 713 CD GLU A 48 -6.528 -2.939 14.010 1.00 0.00 C ATOM 714 OE1 GLU A 48 -5.942 -1.873 14.292 1.00 0.00 O ATOM 715 OE2 GLU A 48 -7.639 -3.224 14.497 1.00 0.00 O ATOM 0 H GLU A 48 -4.334 -4.751 11.169 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.610 -6.480 13.367 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.351 -5.215 14.630 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.039 -4.239 14.000 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.417 -3.362 12.246 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.696 -4.511 12.587 1.00 0.00 H new ATOM 722 N ASP A 49 -6.078 -7.216 11.526 1.00 0.00 N ATOM 723 CA ASP A 49 -7.118 -8.212 11.252 1.00 0.00 C ATOM 724 C ASP A 49 -6.520 -9.596 11.308 1.00 0.00 C ATOM 725 O ASP A 49 -6.991 -10.474 12.047 1.00 0.00 O ATOM 726 CB ASP A 49 -7.738 -7.956 9.880 1.00 0.00 C ATOM 727 CG ASP A 49 -8.652 -9.063 9.398 1.00 0.00 C ATOM 728 OD1 ASP A 49 -9.746 -9.249 9.950 1.00 0.00 O ATOM 729 OD2 ASP A 49 -8.293 -9.757 8.434 1.00 0.00 O ATOM 0 H ASP A 49 -5.797 -6.671 10.710 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.901 -8.133 12.006 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.302 -7.024 9.916 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.939 -7.817 9.152 1.00 0.00 H new ATOM 734 N LYS A 50 -5.478 -9.770 10.540 1.00 0.00 N ATOM 735 CA LYS A 50 -4.715 -10.980 10.498 1.00 0.00 C ATOM 736 C LYS A 50 -3.263 -10.611 10.438 1.00 0.00 C ATOM 737 O LYS A 50 -2.917 -9.571 9.886 1.00 0.00 O ATOM 738 CB LYS A 50 -5.132 -11.903 9.340 1.00 0.00 C ATOM 739 CG LYS A 50 -6.508 -12.529 9.553 1.00 0.00 C ATOM 740 CD LYS A 50 -6.874 -13.550 8.483 1.00 0.00 C ATOM 741 CE LYS A 50 -7.200 -12.911 7.150 1.00 0.00 C ATOM 742 NZ LYS A 50 -8.422 -12.086 7.215 1.00 0.00 N ATOM 0 H LYS A 50 -5.129 -9.049 9.908 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.909 -11.561 11.400 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.136 -11.334 8.410 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.391 -12.694 9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.534 -13.011 10.530 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.261 -11.741 9.567 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.046 -14.247 8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.731 -14.132 8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.362 -12.292 6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.328 -13.689 6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.910 -12.116 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.052 -12.457 7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.166 -11.103 7.439 1.00 0.00 H new ATOM 756 N THR A 51 -2.428 -11.494 10.901 1.00 0.00 N ATOM 757 CA THR A 51 -1.025 -11.248 11.174 1.00 0.00 C ATOM 758 C THR A 51 -0.149 -11.265 9.920 1.00 0.00 C ATOM 759 O THR A 51 1.081 -11.400 9.992 1.00 0.00 O ATOM 760 CB THR A 51 -0.573 -12.312 12.169 1.00 0.00 C ATOM 761 OG1 THR A 51 -1.184 -13.565 11.791 1.00 0.00 O ATOM 762 CG2 THR A 51 -1.011 -11.945 13.579 1.00 0.00 C ATOM 0 H THR A 51 -2.710 -12.451 11.111 1.00 0.00 H new ATOM 0 HA THR A 51 -0.912 -10.243 11.581 1.00 0.00 H new ATOM 0 HB THR A 51 0.514 -12.389 12.155 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.906 -14.266 12.417 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.680 -12.716 14.275 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.570 -10.989 13.860 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.098 -11.868 13.614 1.00 0.00 H new ATOM 770 N ASP A 52 -0.778 -11.054 8.812 1.00 0.00 N ATOM 771 CA ASP A 52 -0.145 -11.074 7.520 1.00 0.00 C ATOM 772 C ASP A 52 0.418 -9.700 7.159 1.00 0.00 C ATOM 773 O ASP A 52 -0.332 -8.740 6.956 1.00 0.00 O ATOM 774 CB ASP A 52 -1.146 -11.543 6.483 1.00 0.00 C ATOM 775 CG ASP A 52 -0.585 -11.525 5.085 1.00 0.00 C ATOM 776 OD1 ASP A 52 0.347 -12.308 4.791 1.00 0.00 O ATOM 777 OD2 ASP A 52 -1.090 -10.747 4.243 1.00 0.00 O ATOM 0 H ASP A 52 -1.778 -10.856 8.771 1.00 0.00 H new ATOM 0 HA ASP A 52 0.696 -11.767 7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.469 -12.555 6.727 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.030 -10.907 6.524 1.00 0.00 H new ATOM 782 N LYS A 53 1.723 -9.614 7.110 1.00 0.00 N ATOM 783 CA LYS A 53 2.424 -8.373 6.835 1.00 0.00 C ATOM 784 C LYS A 53 2.735 -8.154 5.335 1.00 0.00 C ATOM 785 O LYS A 53 2.343 -8.944 4.475 1.00 0.00 O ATOM 786 CB LYS A 53 3.704 -8.337 7.655 1.00 0.00 C ATOM 787 CG LYS A 53 3.463 -8.330 9.160 1.00 0.00 C ATOM 788 CD LYS A 53 4.759 -8.215 9.957 1.00 0.00 C ATOM 789 CE LYS A 53 5.567 -9.526 10.092 1.00 0.00 C ATOM 790 NZ LYS A 53 5.824 -10.260 8.818 1.00 0.00 N ATOM 0 H LYS A 53 2.342 -10.411 7.261 1.00 0.00 H new ATOM 0 HA LYS A 53 1.761 -7.556 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.315 -9.202 7.397 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.276 -7.450 7.383 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.807 -7.498 9.416 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.944 -9.245 9.446 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.392 -7.464 9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.521 -7.849 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.525 -9.295 10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.035 -10.191 10.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.582 -10.957 8.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.957 -10.750 8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.112 -9.585 8.081 1.00 0.00 H new ATOM 804 N GLY A 54 3.428 -7.062 5.062 1.00 0.00 N ATOM 805 CA GLY A 54 3.800 -6.640 3.708 1.00 0.00 C ATOM 806 C GLY A 54 3.385 -5.206 3.566 1.00 0.00 C ATOM 807 O GLY A 54 2.460 -4.832 4.191 1.00 0.00 O ATOM 0 H GLY A 54 3.759 -6.425 5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.873 -6.748 3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.305 -7.261 2.961 1.00 0.00 H new ATOM 811 N ILE A 55 4.108 -4.411 2.818 1.00 0.00 N ATOM 812 CA ILE A 55 3.829 -2.984 2.693 1.00 0.00 C ATOM 813 C ILE A 55 2.424 -2.710 2.159 1.00 0.00 C ATOM 814 O ILE A 55 2.075 -3.097 1.054 1.00 0.00 O ATOM 815 CB ILE A 55 4.879 -2.252 1.806 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.300 -2.421 2.368 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.530 -0.784 1.698 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.558 -1.724 3.681 1.00 0.00 C ATOM 0 H ILE A 55 4.911 -4.726 2.273 1.00 0.00 H new ATOM 0 HA ILE A 55 3.895 -2.585 3.705 1.00 0.00 H new ATOM 0 HB ILE A 55 4.857 -2.701 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.499 -3.485 2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.012 -2.049 1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.269 -0.279 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.543 -0.677 1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.526 -0.337 2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.587 -1.904 3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.397 -0.653 3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.877 -2.111 4.439 1.00 0.00 H new ATOM 830 N TYR A 56 1.638 -2.056 2.960 1.00 0.00 N ATOM 831 CA TYR A 56 0.307 -1.667 2.584 1.00 0.00 C ATOM 832 C TYR A 56 0.177 -0.194 2.625 1.00 0.00 C ATOM 833 O TYR A 56 0.917 0.477 3.349 1.00 0.00 O ATOM 834 CB TYR A 56 -0.758 -2.331 3.463 1.00 0.00 C ATOM 835 CG TYR A 56 -0.306 -2.522 4.879 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.300 -1.493 5.799 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.150 -3.745 5.267 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.165 -1.706 7.077 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.619 -3.978 6.517 1.00 0.00 C ATOM 840 CZ TYR A 56 0.630 -2.952 7.428 1.00 0.00 C ATOM 841 OH TYR A 56 1.084 -3.161 8.688 1.00 0.00 O ATOM 0 H TYR A 56 1.903 -1.773 3.904 1.00 0.00 H new ATOM 0 HA TYR A 56 0.137 -2.012 1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.662 -1.721 3.454 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.022 -3.299 3.037 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.662 -0.516 5.515 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.138 -4.557 4.555 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.165 -0.902 7.798 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.979 -4.958 6.792 1.00 0.00 H new ATOM 0 HH TYR A 56 1.881 -3.731 8.658 1.00 0.00 H new ATOM 851 N VAL A 57 -0.726 0.297 1.846 1.00 0.00 N ATOM 852 CA VAL A 57 -1.016 1.700 1.770 1.00 0.00 C ATOM 853 C VAL A 57 -1.919 2.119 2.939 1.00 0.00 C ATOM 854 O VAL A 57 -2.886 1.417 3.285 1.00 0.00 O ATOM 855 CB VAL A 57 -1.681 2.036 0.410 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.917 1.245 0.196 1.00 0.00 C ATOM 857 CG2 VAL A 57 -1.961 3.495 0.276 1.00 0.00 C ATOM 0 H VAL A 57 -1.300 -0.275 1.227 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.083 2.259 1.842 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.966 1.761 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.355 1.508 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.675 0.182 0.207 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.631 1.463 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.427 3.689 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.634 3.811 1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.027 4.053 0.347 1.00 0.00 H new ATOM 867 N THR A 58 -1.596 3.223 3.556 1.00 0.00 N ATOM 868 CA THR A 58 -2.353 3.710 4.676 1.00 0.00 C ATOM 869 C THR A 58 -3.139 4.965 4.326 1.00 0.00 C ATOM 870 O THR A 58 -4.145 5.282 4.953 1.00 0.00 O ATOM 871 CB THR A 58 -1.421 3.950 5.857 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.220 4.618 5.391 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.070 2.622 6.510 1.00 0.00 C ATOM 0 H THR A 58 -0.802 3.809 3.297 1.00 0.00 H new ATOM 0 HA THR A 58 -3.086 2.952 4.952 1.00 0.00 H new ATOM 0 HB THR A 58 -1.915 4.581 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.446 4.633 6.110 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.403 2.797 7.354 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.981 2.137 6.861 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.574 1.979 5.783 1.00 0.00 H new ATOM 881 N ARG A 59 -2.683 5.657 3.330 1.00 0.00 N ATOM 882 CA ARG A 59 -3.327 6.835 2.833 1.00 0.00 C ATOM 883 C ARG A 59 -3.212 6.882 1.348 1.00 0.00 C ATOM 884 O ARG A 59 -2.175 6.560 0.810 1.00 0.00 O ATOM 885 CB ARG A 59 -2.708 8.096 3.415 1.00 0.00 C ATOM 886 CG ARG A 59 -3.269 8.531 4.748 1.00 0.00 C ATOM 887 CD ARG A 59 -2.747 9.899 5.114 1.00 0.00 C ATOM 888 NE ARG A 59 -3.377 10.434 6.312 1.00 0.00 N ATOM 889 CZ ARG A 59 -4.189 11.501 6.323 1.00 0.00 C ATOM 890 NH1 ARG A 59 -4.487 12.142 5.184 1.00 0.00 N ATOM 891 NH2 ARG A 59 -4.698 11.924 7.462 1.00 0.00 N ATOM 0 H ARG A 59 -1.830 5.413 2.826 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.374 6.792 3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.635 7.938 3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.839 8.909 2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.358 8.550 4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.994 7.811 5.519 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.669 9.844 5.268 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.916 10.583 4.282 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.189 9.968 7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.095 11.819 4.299 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.106 12.953 5.202 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.474 11.440 8.332 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.316 12.735 7.474 1.00 0.00 H new ATOM 905 N VAL A 60 -4.268 7.256 0.702 1.00 0.00 N ATOM 906 CA VAL A 60 -4.291 7.424 -0.725 1.00 0.00 C ATOM 907 C VAL A 60 -4.765 8.818 -1.005 1.00 0.00 C ATOM 908 O VAL A 60 -5.687 9.299 -0.340 1.00 0.00 O ATOM 909 CB VAL A 60 -5.183 6.363 -1.474 1.00 0.00 C ATOM 910 CG1 VAL A 60 -5.393 6.717 -2.916 1.00 0.00 C ATOM 911 CG2 VAL A 60 -4.570 4.993 -1.380 1.00 0.00 C ATOM 0 H VAL A 60 -5.159 7.459 1.155 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.284 7.262 -1.109 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.155 6.365 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.013 5.957 -3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.889 7.685 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.429 6.767 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.201 4.275 -1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.580 5.005 -1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.484 4.704 -0.333 1.00 0.00 H new ATOM 921 N SER A 61 -4.094 9.470 -1.924 1.00 0.00 N ATOM 922 CA SER A 61 -4.393 10.823 -2.315 1.00 0.00 C ATOM 923 C SER A 61 -5.854 10.931 -2.720 1.00 0.00 C ATOM 924 O SER A 61 -6.275 10.296 -3.676 1.00 0.00 O ATOM 925 CB SER A 61 -3.521 11.203 -3.494 1.00 0.00 C ATOM 926 OG SER A 61 -3.552 12.596 -3.737 1.00 0.00 O ATOM 0 H SER A 61 -3.308 9.064 -2.431 1.00 0.00 H new ATOM 0 HA SER A 61 -4.200 11.493 -1.477 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.495 10.889 -3.304 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.858 10.670 -4.383 1.00 0.00 H new ATOM 0 HG SER A 61 -2.703 12.877 -4.137 1.00 0.00 H new ATOM 932 N GLU A 62 -6.582 11.758 -1.994 1.00 0.00 N ATOM 933 CA GLU A 62 -8.029 11.991 -2.151 1.00 0.00 C ATOM 934 C GLU A 62 -8.380 12.654 -3.493 1.00 0.00 C ATOM 935 O GLU A 62 -9.556 12.865 -3.819 1.00 0.00 O ATOM 936 CB GLU A 62 -8.471 12.893 -1.010 1.00 0.00 C ATOM 937 CG GLU A 62 -7.759 14.241 -1.020 1.00 0.00 C ATOM 938 CD GLU A 62 -7.996 15.061 0.216 1.00 0.00 C ATOM 939 OE1 GLU A 62 -9.095 15.596 0.393 1.00 0.00 O ATOM 940 OE2 GLU A 62 -7.049 15.222 1.031 1.00 0.00 O ATOM 0 H GLU A 62 -6.176 12.316 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.542 11.030 -2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.547 13.054 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.280 12.392 -0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.688 14.075 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.088 14.809 -1.890 1.00 0.00 H new ATOM 947 N GLY A 63 -7.372 13.013 -4.221 1.00 0.00 N ATOM 948 CA GLY A 63 -7.540 13.627 -5.500 1.00 0.00 C ATOM 949 C GLY A 63 -6.260 13.555 -6.259 1.00 0.00 C ATOM 950 O GLY A 63 -5.868 14.495 -6.948 1.00 0.00 O ATOM 0 H GLY A 63 -6.399 12.887 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.333 13.125 -6.055 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.845 14.666 -5.379 1.00 0.00 H new ATOM 954 N GLY A 64 -5.586 12.449 -6.119 1.00 0.00 N ATOM 955 CA GLY A 64 -4.322 12.288 -6.758 1.00 0.00 C ATOM 956 C GLY A 64 -4.278 11.072 -7.641 1.00 0.00 C ATOM 957 O GLY A 64 -5.267 10.341 -7.739 1.00 0.00 O ATOM 0 H GLY A 64 -5.895 11.649 -5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.103 13.174 -7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.542 12.212 -6.001 1.00 0.00 H new ATOM 961 N PRO A 65 -3.092 10.760 -8.195 1.00 0.00 N ATOM 962 CA PRO A 65 -2.907 9.705 -9.211 1.00 0.00 C ATOM 963 C PRO A 65 -3.257 8.341 -8.676 1.00 0.00 C ATOM 964 O PRO A 65 -3.705 7.469 -9.409 1.00 0.00 O ATOM 965 CB PRO A 65 -1.408 9.749 -9.515 1.00 0.00 C ATOM 966 CG PRO A 65 -0.792 10.410 -8.329 1.00 0.00 C ATOM 967 CD PRO A 65 -1.817 11.370 -7.810 1.00 0.00 C ATOM 0 HA PRO A 65 -3.546 9.871 -10.078 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.006 8.747 -9.661 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.207 10.310 -10.428 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.525 9.676 -7.569 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.125 10.931 -8.605 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.741 11.491 -6.729 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.698 12.360 -8.251 1.00 0.00 H new ATOM 975 N ALA A 66 -3.059 8.191 -7.389 1.00 0.00 N ATOM 976 CA ALA A 66 -3.298 6.974 -6.690 1.00 0.00 C ATOM 977 C ALA A 66 -4.739 6.515 -6.841 1.00 0.00 C ATOM 978 O ALA A 66 -4.989 5.450 -7.415 1.00 0.00 O ATOM 979 CB ALA A 66 -2.885 7.128 -5.247 1.00 0.00 C ATOM 0 H ALA A 66 -2.716 8.942 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.688 6.185 -7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.069 6.195 -4.714 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.824 7.372 -5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.463 7.929 -4.786 1.00 0.00 H new ATOM 985 N GLU A 67 -5.691 7.315 -6.389 1.00 0.00 N ATOM 986 CA GLU A 67 -7.087 6.916 -6.533 1.00 0.00 C ATOM 987 C GLU A 67 -7.583 7.088 -7.965 1.00 0.00 C ATOM 988 O GLU A 67 -8.561 6.453 -8.362 1.00 0.00 O ATOM 989 CB GLU A 67 -8.027 7.620 -5.577 1.00 0.00 C ATOM 990 CG GLU A 67 -8.113 9.118 -5.744 1.00 0.00 C ATOM 991 CD GLU A 67 -9.459 9.610 -5.301 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.698 9.717 -4.090 1.00 0.00 O ATOM 993 OE2 GLU A 67 -10.332 9.849 -6.177 1.00 0.00 O ATOM 0 H GLU A 67 -5.536 8.215 -5.934 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.101 5.857 -6.273 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.025 7.199 -5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.712 7.402 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.330 9.602 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.945 9.386 -6.787 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.940 7.976 -8.724 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.258 8.145 -10.138 1.00 0.00 C ATOM 1002 C ILE A 68 -7.043 6.824 -10.868 1.00 0.00 C ATOM 1003 O ILE A 68 -7.885 6.395 -11.663 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.417 9.299 -10.786 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.901 10.681 -10.300 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.378 9.232 -12.314 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.361 10.993 -10.599 1.00 0.00 C ATOM 0 H ILE A 68 -6.198 8.587 -8.382 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.305 8.433 -10.228 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.390 9.155 -10.449 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.744 10.746 -9.223 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.279 11.449 -10.760 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.780 10.058 -12.699 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.934 8.287 -12.626 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.392 9.303 -12.707 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.606 11.985 -10.219 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.526 10.966 -11.676 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.998 10.252 -10.116 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.940 6.167 -10.555 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.658 4.883 -11.121 1.00 0.00 C ATOM 1021 C ALA A 69 -6.555 3.825 -10.488 1.00 0.00 C ATOM 1022 O ALA A 69 -7.216 3.065 -11.188 1.00 0.00 O ATOM 1023 CB ALA A 69 -4.205 4.535 -10.929 1.00 0.00 C ATOM 0 H ALA A 69 -5.230 6.512 -9.909 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.862 4.915 -12.191 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.005 3.556 -11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.584 5.284 -11.420 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.974 4.513 -9.864 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.593 3.790 -9.168 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.436 2.814 -8.499 1.00 0.00 C ATOM 1031 C GLY A 70 -6.820 2.228 -7.247 1.00 0.00 C ATOM 1032 O GLY A 70 -7.192 1.133 -6.824 1.00 0.00 O ATOM 0 H GLY A 70 -6.066 4.408 -8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.384 3.285 -8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.661 2.005 -9.194 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.869 2.937 -6.672 1.00 0.00 N ATOM 1037 CA LEU A 71 -5.237 2.522 -5.422 1.00 0.00 C ATOM 1038 C LEU A 71 -6.139 2.896 -4.264 1.00 0.00 C ATOM 1039 O LEU A 71 -6.587 4.035 -4.172 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.838 3.179 -5.327 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.955 2.959 -4.075 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -3.143 1.569 -3.494 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.544 3.021 -4.546 1.00 0.00 C ATOM 0 H LEU A 71 -5.510 3.813 -7.051 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.096 1.442 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.264 2.842 -6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.978 4.254 -5.438 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.212 3.702 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.507 1.452 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.186 1.433 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.872 0.823 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.872 2.872 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.373 2.241 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.353 3.996 -4.994 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.451 1.930 -3.427 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.339 2.132 -2.309 1.00 0.00 C ATOM 1057 C GLN A 72 -6.576 1.901 -1.034 1.00 0.00 C ATOM 1058 O GLN A 72 -5.655 1.124 -1.006 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.517 1.150 -2.389 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.265 1.201 -3.708 1.00 0.00 C ATOM 1061 CD GLN A 72 -10.015 2.491 -3.935 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -9.330 3.497 -4.382 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -11.198 2.597 -3.622 1.00 0.00 N flip ATOM 0 H GLN A 72 -6.092 0.978 -3.506 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.728 3.150 -2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.146 0.137 -2.231 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.213 1.365 -1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.556 1.056 -4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.970 0.370 -3.747 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.708 1.785 -3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.670 3.497 -3.711 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.926 2.613 -0.015 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.294 2.450 1.294 1.00 0.00 C ATOM 1074 C ILE A 73 -6.523 1.020 1.841 1.00 0.00 C ATOM 1075 O ILE A 73 -7.655 0.523 1.827 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.838 3.493 2.305 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.527 4.908 1.826 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.260 3.264 3.683 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.992 5.995 2.764 1.00 0.00 C ATOM 0 H ILE A 73 -7.653 3.327 -0.044 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.223 2.611 1.167 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.920 3.374 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.451 5.003 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.992 5.060 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.658 4.009 4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.531 2.267 4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.174 3.351 3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.732 6.969 2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.073 5.930 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.507 5.872 3.732 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.449 0.386 2.322 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.537 -0.963 2.839 1.00 0.00 C ATOM 1093 C GLY A 74 -5.051 -1.980 1.824 1.00 0.00 C ATOM 1094 O GLY A 74 -5.027 -3.192 2.098 1.00 0.00 O ATOM 0 H GLY A 74 -4.515 0.793 2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.944 -1.044 3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.569 -1.183 3.111 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.644 -1.494 0.664 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.144 -2.351 -0.384 1.00 0.00 C ATOM 1100 C ASP A 75 -2.741 -2.797 -0.042 1.00 0.00 C ATOM 1101 O ASP A 75 -1.839 -1.958 0.164 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.159 -1.642 -1.765 1.00 0.00 C ATOM 1103 CG ASP A 75 -5.527 -1.596 -2.458 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.394 -2.408 -2.127 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -5.726 -0.767 -3.411 1.00 0.00 O ATOM 0 H ASP A 75 -4.652 -0.502 0.428 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.801 -3.218 -0.456 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.800 -0.621 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.452 -2.147 -2.423 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.548 -4.101 0.078 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.233 -4.631 0.360 1.00 0.00 C ATOM 1112 C LYS A 76 -0.484 -4.742 -0.932 1.00 0.00 C ATOM 1113 O LYS A 76 -0.859 -5.522 -1.826 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.274 -5.986 1.075 1.00 0.00 C ATOM 1115 CG LYS A 76 -2.024 -5.985 2.397 1.00 0.00 C ATOM 1116 CD LYS A 76 -1.775 -7.271 3.163 1.00 0.00 C ATOM 1117 CE LYS A 76 -2.641 -7.356 4.405 1.00 0.00 C ATOM 1118 NZ LYS A 76 -2.349 -8.565 5.192 1.00 0.00 N ATOM 0 H LYS A 76 -3.282 -4.803 -0.015 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.729 -3.947 1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.736 -6.717 0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.251 -6.318 1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.708 -5.132 2.998 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.092 -5.868 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.979 -8.125 2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.724 -7.329 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.479 -6.472 5.022 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.692 -7.355 4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.165 -8.792 5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.162 -9.361 4.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.514 -8.398 5.788 1.00 0.00 H new ATOM 1132 N ILE A 77 0.543 -3.975 -1.043 1.00 0.00 N ATOM 1133 CA ILE A 77 1.287 -3.855 -2.246 1.00 0.00 C ATOM 1134 C ILE A 77 2.344 -4.931 -2.304 1.00 0.00 C ATOM 1135 O ILE A 77 3.177 -5.039 -1.428 1.00 0.00 O ATOM 1136 CB ILE A 77 1.955 -2.499 -2.285 1.00 0.00 C ATOM 1137 CG1 ILE A 77 0.922 -1.426 -1.970 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.524 -2.278 -3.673 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.511 -0.199 -1.388 1.00 0.00 C ATOM 0 H ILE A 77 0.898 -3.399 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 77 0.615 -3.963 -3.098 1.00 0.00 H new ATOM 0 HB ILE A 77 2.758 -2.449 -1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.388 -1.166 -2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.186 -1.832 -1.276 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.009 -1.303 -3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.254 -3.057 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.719 -2.315 -4.407 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.721 0.524 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.021 -0.446 -0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.226 0.230 -2.090 1.00 0.00 H new ATOM 1151 N MET A 78 2.317 -5.701 -3.342 1.00 0.00 N ATOM 1152 CA MET A 78 3.226 -6.809 -3.488 1.00 0.00 C ATOM 1153 C MET A 78 4.269 -6.496 -4.550 1.00 0.00 C ATOM 1154 O MET A 78 5.347 -7.107 -4.592 1.00 0.00 O ATOM 1155 CB MET A 78 2.474 -8.085 -3.873 1.00 0.00 C ATOM 1156 CG MET A 78 1.425 -8.611 -2.876 1.00 0.00 C ATOM 1157 SD MET A 78 2.081 -9.264 -1.312 1.00 0.00 S ATOM 1158 CE MET A 78 2.125 -7.812 -0.260 1.00 0.00 C ATOM 0 H MET A 78 1.666 -5.586 -4.119 1.00 0.00 H new ATOM 0 HA MET A 78 3.719 -6.968 -2.529 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.976 -7.909 -4.826 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.208 -8.873 -4.038 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.730 -7.803 -2.648 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.850 -9.398 -3.364 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.123 -8.120 0.786 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.029 -7.239 -0.468 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.250 -7.193 -0.457 1.00 0.00 H new ATOM 1168 N GLN A 79 3.985 -5.520 -5.375 1.00 0.00 N ATOM 1169 CA GLN A 79 4.861 -5.183 -6.466 1.00 0.00 C ATOM 1170 C GLN A 79 4.785 -3.687 -6.708 1.00 0.00 C ATOM 1171 O GLN A 79 3.718 -3.125 -6.662 1.00 0.00 O ATOM 1172 CB GLN A 79 4.427 -5.948 -7.735 1.00 0.00 C ATOM 1173 CG GLN A 79 5.525 -6.762 -8.421 1.00 0.00 C ATOM 1174 CD GLN A 79 6.691 -5.954 -8.862 1.00 0.00 C ATOM 1175 OE1 GLN A 79 6.457 -4.762 -9.291 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 7.802 -6.430 -8.870 1.00 0.00 N flip ATOM 0 H GLN A 79 3.147 -4.942 -5.310 1.00 0.00 H new ATOM 0 HA GLN A 79 5.886 -5.463 -6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.611 -6.621 -7.471 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.029 -5.230 -8.452 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.871 -7.536 -7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.100 -7.269 -9.287 1.00 0.00 H new ATOM 0 HE21 GLN A 79 7.954 -7.377 -8.523 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.588 -5.885 -9.224 1.00 0.00 H new ATOM 1185 N VAL A 80 5.914 -3.061 -6.940 1.00 0.00 N ATOM 1186 CA VAL A 80 5.995 -1.624 -7.212 1.00 0.00 C ATOM 1187 C VAL A 80 7.012 -1.378 -8.301 1.00 0.00 C ATOM 1188 O VAL A 80 8.160 -1.725 -8.138 1.00 0.00 O ATOM 1189 CB VAL A 80 6.404 -0.817 -5.924 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.915 0.597 -6.246 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.241 -0.723 -4.973 1.00 0.00 C ATOM 0 H VAL A 80 6.820 -3.530 -6.948 1.00 0.00 H new ATOM 0 HA VAL A 80 5.010 -1.281 -7.529 1.00 0.00 H new ATOM 0 HB VAL A 80 7.223 -1.366 -5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.182 1.107 -5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.792 0.529 -6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.133 1.159 -6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.540 -0.162 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.411 -0.213 -5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.929 -1.725 -4.680 1.00 0.00 H new ATOM 1201 N ASN A 81 6.543 -0.883 -9.440 1.00 0.00 N ATOM 1202 CA ASN A 81 7.382 -0.448 -10.583 1.00 0.00 C ATOM 1203 C ASN A 81 8.354 -1.554 -11.014 1.00 0.00 C ATOM 1204 O ASN A 81 9.466 -1.305 -11.450 1.00 0.00 O ATOM 1205 CB ASN A 81 8.130 0.837 -10.212 1.00 0.00 C ATOM 1206 CG ASN A 81 8.449 1.761 -11.394 1.00 0.00 C ATOM 1207 OD1 ASN A 81 7.590 1.784 -12.408 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 9.459 2.460 -11.381 1.00 0.00 N flip ATOM 0 H ASN A 81 5.545 -0.764 -9.613 1.00 0.00 H new ATOM 0 HA ASN A 81 6.734 -0.243 -11.436 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.534 1.391 -9.487 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.063 0.567 -9.718 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.098 2.418 -10.587 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.659 3.082 -12.164 1.00 0.00 H new ATOM 1215 N GLY A 82 7.875 -2.768 -10.917 1.00 0.00 N ATOM 1216 CA GLY A 82 8.645 -3.950 -11.247 1.00 0.00 C ATOM 1217 C GLY A 82 9.730 -4.334 -10.233 1.00 0.00 C ATOM 1218 O GLY A 82 10.510 -5.244 -10.494 1.00 0.00 O ATOM 0 H GLY A 82 6.926 -2.971 -10.603 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.960 -4.791 -11.356 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.117 -3.796 -12.217 1.00 0.00 H new ATOM 1222 N TRP A 83 9.782 -3.673 -9.099 1.00 0.00 N ATOM 1223 CA TRP A 83 10.799 -4.002 -8.101 1.00 0.00 C ATOM 1224 C TRP A 83 10.405 -5.255 -7.214 1.00 0.00 C ATOM 1225 O TRP A 83 10.788 -6.373 -7.575 1.00 0.00 O ATOM 1226 CB TRP A 83 11.336 -2.707 -7.346 1.00 0.00 C ATOM 1227 CG TRP A 83 10.875 -2.434 -5.939 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.685 -1.910 -5.537 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.640 -2.637 -4.755 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.643 -1.836 -4.165 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.838 -2.260 -3.670 1.00 0.00 C ATOM 1232 CE3 TRP A 83 12.925 -3.120 -4.507 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.272 -2.347 -2.366 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.355 -3.199 -3.206 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.533 -2.816 -2.149 1.00 0.00 C ATOM 0 H TRP A 83 9.149 -2.917 -8.839 1.00 0.00 H new ATOM 0 HA TRP A 83 11.688 -4.365 -8.616 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.424 -2.764 -7.329 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.072 -1.840 -7.952 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.890 -1.598 -6.199 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.849 -1.517 -3.610 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.567 -3.425 -5.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.635 -2.054 -1.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.350 -3.565 -2.998 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.902 -2.892 -1.137 1.00 0.00 H new ATOM 1246 N ASP A 84 9.639 -5.061 -6.106 1.00 0.00 N ATOM 1247 CA ASP A 84 9.116 -6.119 -5.196 1.00 0.00 C ATOM 1248 C ASP A 84 8.701 -5.439 -3.915 1.00 0.00 C ATOM 1249 O ASP A 84 9.539 -4.955 -3.195 1.00 0.00 O ATOM 1250 CB ASP A 84 10.169 -7.134 -4.803 1.00 0.00 C ATOM 1251 CG ASP A 84 9.592 -8.271 -4.015 1.00 0.00 C ATOM 1252 OD1 ASP A 84 9.046 -9.207 -4.643 1.00 0.00 O ATOM 1253 OD2 ASP A 84 9.665 -8.254 -2.753 1.00 0.00 O ATOM 0 H ASP A 84 9.358 -4.126 -5.810 1.00 0.00 H new ATOM 0 HA ASP A 84 8.308 -6.633 -5.718 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.649 -7.523 -5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.944 -6.642 -4.215 1.00 0.00 H new ATOM 1258 N MET A 85 7.440 -5.391 -3.624 1.00 0.00 N ATOM 1259 CA MET A 85 7.011 -4.636 -2.449 1.00 0.00 C ATOM 1260 C MET A 85 6.457 -5.587 -1.396 1.00 0.00 C ATOM 1261 O MET A 85 6.080 -5.184 -0.295 1.00 0.00 O ATOM 1262 CB MET A 85 5.937 -3.654 -2.865 1.00 0.00 C ATOM 1263 CG MET A 85 5.819 -2.411 -2.001 1.00 0.00 C ATOM 1264 SD MET A 85 7.241 -1.309 -2.201 1.00 0.00 S ATOM 1265 CE MET A 85 6.564 0.213 -1.544 1.00 0.00 C ATOM 0 H MET A 85 6.695 -5.844 -4.154 1.00 0.00 H new ATOM 0 HA MET A 85 7.861 -4.100 -2.026 1.00 0.00 H new ATOM 0 HB2 MET A 85 6.130 -3.345 -3.892 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.977 -4.170 -2.863 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.906 -1.875 -2.260 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.731 -2.704 -0.955 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.359 0.952 -1.446 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.797 0.592 -2.220 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.123 0.023 -0.566 1.00 0.00 H new ATOM 1275 N THR A 86 6.433 -6.851 -1.744 1.00 0.00 N ATOM 1276 CA THR A 86 5.848 -7.870 -0.891 1.00 0.00 C ATOM 1277 C THR A 86 6.725 -8.161 0.343 1.00 0.00 C ATOM 1278 O THR A 86 6.213 -8.412 1.446 1.00 0.00 O ATOM 1279 CB THR A 86 5.529 -9.173 -1.704 1.00 0.00 C ATOM 1280 OG1 THR A 86 4.929 -10.190 -0.877 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.766 -9.722 -2.391 1.00 0.00 C ATOM 0 H THR A 86 6.815 -7.206 -2.621 1.00 0.00 H new ATOM 0 HA THR A 86 4.902 -7.479 -0.515 1.00 0.00 H new ATOM 0 HB THR A 86 4.807 -8.890 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.963 -10.037 -0.820 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.505 -10.624 -2.944 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.161 -8.976 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.522 -9.961 -1.643 1.00 0.00 H new ATOM 1289 N MET A 87 8.020 -8.076 0.183 1.00 0.00 N ATOM 1290 CA MET A 87 8.918 -8.360 1.270 1.00 0.00 C ATOM 1291 C MET A 87 9.885 -7.211 1.418 1.00 0.00 C ATOM 1292 O MET A 87 10.954 -7.212 0.809 1.00 0.00 O ATOM 1293 CB MET A 87 9.673 -9.677 1.010 1.00 0.00 C ATOM 1294 CG MET A 87 10.531 -10.151 2.171 1.00 0.00 C ATOM 1295 SD MET A 87 9.543 -10.561 3.620 1.00 0.00 S ATOM 1296 CE MET A 87 10.830 -11.043 4.775 1.00 0.00 C ATOM 0 H MET A 87 8.476 -7.812 -0.690 1.00 0.00 H new ATOM 0 HA MET A 87 8.352 -8.476 2.194 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.949 -10.455 0.769 1.00 0.00 H new ATOM 0 HB3 MET A 87 10.308 -9.550 0.133 1.00 0.00 H new ATOM 0 HG2 MET A 87 11.104 -11.026 1.864 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.250 -9.374 2.431 1.00 0.00 H new ATOM 0 HE1 MET A 87 10.378 -11.327 5.726 1.00 0.00 H new ATOM 0 HE2 MET A 87 11.384 -11.890 4.370 1.00 0.00 H new ATOM 0 HE3 MET A 87 11.510 -10.206 4.932 1.00 0.00 H new ATOM 1306 N VAL A 88 9.491 -6.192 2.158 1.00 0.00 N ATOM 1307 CA VAL A 88 10.336 -5.035 2.309 1.00 0.00 C ATOM 1308 C VAL A 88 9.908 -4.238 3.530 1.00 0.00 C ATOM 1309 O VAL A 88 8.728 -4.283 3.933 1.00 0.00 O ATOM 1310 CB VAL A 88 10.296 -4.152 1.020 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.888 -3.707 0.702 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.223 -2.961 1.138 1.00 0.00 C ATOM 0 H VAL A 88 8.602 -6.146 2.656 1.00 0.00 H new ATOM 0 HA VAL A 88 11.365 -5.365 2.454 1.00 0.00 H new ATOM 0 HB VAL A 88 10.648 -4.769 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.895 -3.095 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.257 -4.582 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.494 -3.123 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.171 -2.368 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.921 -2.348 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.245 -3.309 1.287 1.00 0.00 H new ATOM 1322 N THR A 89 10.869 -3.610 4.176 1.00 0.00 N ATOM 1323 CA THR A 89 10.621 -2.771 5.307 1.00 0.00 C ATOM 1324 C THR A 89 9.925 -1.531 4.904 1.00 0.00 C ATOM 1325 O THR A 89 9.967 -1.128 3.750 1.00 0.00 O ATOM 1326 CB THR A 89 11.919 -2.331 5.965 1.00 0.00 C ATOM 1327 OG1 THR A 89 12.860 -1.945 4.972 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.470 -3.378 6.866 1.00 0.00 C ATOM 0 H THR A 89 11.854 -3.676 3.919 1.00 0.00 H new ATOM 0 HA THR A 89 10.015 -3.361 5.994 1.00 0.00 H new ATOM 0 HB THR A 89 11.705 -1.467 6.594 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.553 -1.384 5.379 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.397 -3.021 7.314 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.748 -3.598 7.652 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.669 -4.283 6.293 1.00 0.00 H new ATOM 1336 N HIS A 90 9.304 -0.925 5.858 1.00 0.00 N ATOM 1337 CA HIS A 90 8.704 0.363 5.694 1.00 0.00 C ATOM 1338 C HIS A 90 9.782 1.350 5.243 1.00 0.00 C ATOM 1339 O HIS A 90 9.571 2.121 4.329 1.00 0.00 O ATOM 1340 CB HIS A 90 8.085 0.799 7.027 1.00 0.00 C ATOM 1341 CG HIS A 90 7.305 2.070 6.993 1.00 0.00 C ATOM 1342 ND1 HIS A 90 5.969 2.130 7.244 1.00 0.00 N ATOM 1343 CD2 HIS A 90 7.680 3.331 6.692 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.570 3.371 7.073 1.00 0.00 C ATOM 1345 NE2 HIS A 90 6.566 4.153 6.744 1.00 0.00 N ATOM 0 H HIS A 90 9.195 -1.316 6.794 1.00 0.00 H new ATOM 0 HA HIS A 90 7.917 0.331 4.941 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.431 0.002 7.381 1.00 0.00 H new ATOM 0 HB3 HIS A 90 8.884 0.904 7.761 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.684 3.647 6.450 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.549 3.703 7.189 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.530 5.156 6.564 1.00 0.00 H new ATOM 1353 N ASP A 91 10.950 1.237 5.853 1.00 0.00 N ATOM 1354 CA ASP A 91 12.082 2.115 5.589 1.00 0.00 C ATOM 1355 C ASP A 91 12.517 2.036 4.151 1.00 0.00 C ATOM 1356 O ASP A 91 12.643 3.061 3.465 1.00 0.00 O ATOM 1357 CB ASP A 91 13.256 1.730 6.459 1.00 0.00 C ATOM 1358 CG ASP A 91 14.414 2.708 6.313 1.00 0.00 C ATOM 1359 OD1 ASP A 91 15.259 2.540 5.407 1.00 0.00 O ATOM 1360 OD2 ASP A 91 14.479 3.675 7.094 1.00 0.00 O ATOM 0 H ASP A 91 11.143 0.523 6.556 1.00 0.00 H new ATOM 0 HA ASP A 91 11.759 3.132 5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.940 1.695 7.501 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.592 0.727 6.194 1.00 0.00 H new ATOM 1365 N GLN A 92 12.727 0.818 3.683 1.00 0.00 N ATOM 1366 CA GLN A 92 13.177 0.612 2.333 1.00 0.00 C ATOM 1367 C GLN A 92 12.072 0.904 1.337 1.00 0.00 C ATOM 1368 O GLN A 92 12.321 1.456 0.290 1.00 0.00 O ATOM 1369 CB GLN A 92 13.758 -0.792 2.114 1.00 0.00 C ATOM 1370 CG GLN A 92 15.296 -0.924 2.229 1.00 0.00 C ATOM 1371 CD GLN A 92 15.889 -1.022 3.636 1.00 0.00 C ATOM 1372 OE1 GLN A 92 15.263 -0.471 4.617 1.00 0.00 O flip ATOM 1373 NE2 GLN A 92 16.933 -1.640 3.820 1.00 0.00 N flip ATOM 0 H GLN A 92 12.591 -0.037 4.223 1.00 0.00 H new ATOM 0 HA GLN A 92 13.988 1.320 2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.302 -1.468 2.837 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.458 -1.136 1.124 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.601 -1.810 1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.746 -0.065 1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 92 17.416 -2.071 3.032 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.317 -1.723 4.761 1.00 0.00 H new ATOM 1382 N ALA A 93 10.854 0.601 1.708 1.00 0.00 N ATOM 1383 CA ALA A 93 9.711 0.778 0.835 1.00 0.00 C ATOM 1384 C ALA A 93 9.347 2.230 0.679 1.00 0.00 C ATOM 1385 O ALA A 93 8.860 2.633 -0.375 1.00 0.00 O ATOM 1386 CB ALA A 93 8.539 0.006 1.340 1.00 0.00 C ATOM 0 H ALA A 93 10.622 0.223 2.626 1.00 0.00 H new ATOM 0 HA ALA A 93 9.991 0.397 -0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.691 0.152 0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.791 -1.054 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.277 0.355 2.339 1.00 0.00 H new ATOM 1392 N ARG A 94 9.556 3.021 1.738 1.00 0.00 N ATOM 1393 CA ARG A 94 9.350 4.465 1.683 1.00 0.00 C ATOM 1394 C ARG A 94 10.118 5.042 0.523 1.00 0.00 C ATOM 1395 O ARG A 94 9.553 5.651 -0.363 1.00 0.00 O ATOM 1396 CB ARG A 94 9.742 5.149 3.006 1.00 0.00 C ATOM 1397 CG ARG A 94 8.699 5.071 4.099 1.00 0.00 C ATOM 1398 CD ARG A 94 7.426 5.833 3.747 1.00 0.00 C ATOM 1399 NE ARG A 94 7.648 7.284 3.647 1.00 0.00 N ATOM 1400 CZ ARG A 94 6.683 8.228 3.661 1.00 0.00 C ATOM 1401 NH1 ARG A 94 5.429 7.909 3.950 1.00 0.00 N ATOM 1402 NH2 ARG A 94 7.001 9.494 3.445 1.00 0.00 N ATOM 0 H ARG A 94 9.869 2.679 2.646 1.00 0.00 H new ATOM 0 HA ARG A 94 8.287 4.655 1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.664 4.698 3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.958 6.198 2.805 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.453 4.026 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.115 5.472 5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.035 5.462 2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.667 5.636 4.504 1.00 0.00 H new ATOM 0 HE ARG A 94 8.613 7.604 3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.185 6.942 4.165 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.708 8.630 3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.972 9.753 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.275 10.211 3.455 1.00 0.00 H new ATOM 1416 N LYS A 95 11.346 4.676 0.430 1.00 0.00 N ATOM 1417 CA LYS A 95 12.217 5.166 -0.623 1.00 0.00 C ATOM 1418 C LYS A 95 12.039 4.345 -1.906 1.00 0.00 C ATOM 1419 O LYS A 95 12.922 4.277 -2.754 1.00 0.00 O ATOM 1420 CB LYS A 95 13.674 5.227 -0.128 1.00 0.00 C ATOM 1421 CG LYS A 95 14.147 3.979 0.599 1.00 0.00 C ATOM 1422 CD LYS A 95 15.503 4.193 1.236 1.00 0.00 C ATOM 1423 CE LYS A 95 15.877 3.036 2.140 1.00 0.00 C ATOM 1424 NZ LYS A 95 17.190 3.233 2.778 1.00 0.00 N ATOM 0 H LYS A 95 11.794 4.026 1.076 1.00 0.00 H new ATOM 0 HA LYS A 95 11.935 6.187 -0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.327 5.404 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.782 6.083 0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 95 13.422 3.706 1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 95 14.200 3.146 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.258 4.308 0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 95 15.494 5.119 1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.115 2.917 2.910 1.00 0.00 H new ATOM 0 HE3 LYS A 95 15.891 2.113 1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.406 2.418 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 17.922 3.321 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.170 4.099 3.353 1.00 0.00 H new ATOM 1438 N ARG A 96 10.853 3.774 -2.053 1.00 0.00 N ATOM 1439 CA ARG A 96 10.471 3.017 -3.216 1.00 0.00 C ATOM 1440 C ARG A 96 9.108 3.476 -3.711 1.00 0.00 C ATOM 1441 O ARG A 96 8.825 3.392 -4.900 1.00 0.00 O ATOM 1442 CB ARG A 96 10.517 1.499 -2.975 1.00 0.00 C ATOM 1443 CG ARG A 96 11.907 0.973 -2.616 1.00 0.00 C ATOM 1444 CD ARG A 96 12.904 1.124 -3.753 1.00 0.00 C ATOM 1445 NE ARG A 96 14.288 0.872 -3.314 1.00 0.00 N ATOM 1446 CZ ARG A 96 15.320 0.592 -4.128 1.00 0.00 C ATOM 1447 NH1 ARG A 96 15.113 0.342 -5.413 1.00 0.00 N ATOM 1448 NH2 ARG A 96 16.549 0.536 -3.639 1.00 0.00 N ATOM 0 H ARG A 96 10.119 3.830 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 96 11.205 3.212 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.825 1.247 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.165 0.987 -3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.278 1.506 -1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.833 -0.079 -2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 96 12.647 0.432 -4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.833 2.130 -4.166 1.00 0.00 H new ATOM 0 HE ARG A 96 14.478 0.913 -2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 96 14.165 0.361 -5.790 1.00 0.00 H new ATOM 0 HH12 ARG A 96 15.901 0.130 -6.025 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.711 0.705 -2.646 1.00 0.00 H new ATOM 0 HH22 ARG A 96 17.334 0.324 -4.255 1.00 0.00 H new ATOM 1462 N LEU A 97 8.260 3.964 -2.806 1.00 0.00 N ATOM 1463 CA LEU A 97 6.985 4.529 -3.248 1.00 0.00 C ATOM 1464 C LEU A 97 6.987 6.059 -3.141 1.00 0.00 C ATOM 1465 O LEU A 97 6.293 6.731 -3.851 1.00 0.00 O ATOM 1466 CB LEU A 97 5.753 3.889 -2.523 1.00 0.00 C ATOM 1467 CG LEU A 97 5.306 4.391 -1.117 1.00 0.00 C ATOM 1468 CD1 LEU A 97 6.426 4.514 -0.120 1.00 0.00 C ATOM 1469 CD2 LEU A 97 4.440 5.645 -1.171 1.00 0.00 C ATOM 0 H LEU A 97 8.422 3.981 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 97 6.876 4.273 -4.302 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.897 3.998 -3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.953 2.821 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 97 4.669 3.591 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.029 4.869 0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.894 3.540 0.023 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.167 5.222 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.164 5.940 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 97 4.998 6.452 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.538 5.440 -1.748 1.00 0.00 H new ATOM 1481 N THR A 98 7.754 6.602 -2.243 1.00 0.00 N ATOM 1482 CA THR A 98 7.786 8.036 -2.133 1.00 0.00 C ATOM 1483 C THR A 98 9.141 8.578 -2.554 1.00 0.00 C ATOM 1484 O THR A 98 9.508 9.738 -2.270 1.00 0.00 O ATOM 1485 CB THR A 98 7.268 8.582 -0.753 1.00 0.00 C ATOM 1486 OG1 THR A 98 7.331 10.012 -0.714 1.00 0.00 O ATOM 1487 CG2 THR A 98 8.015 8.004 0.431 1.00 0.00 C ATOM 0 H THR A 98 8.352 6.094 -1.591 1.00 0.00 H new ATOM 0 HA THR A 98 7.057 8.431 -2.840 1.00 0.00 H new ATOM 0 HB THR A 98 6.230 8.259 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.126 10.318 -1.198 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.611 8.420 1.354 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.900 6.920 0.440 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.073 8.256 0.352 1.00 0.00 H new ATOM 1495 N LYS A 99 9.880 7.725 -3.251 1.00 0.00 N ATOM 1496 CA LYS A 99 11.082 8.132 -3.941 1.00 0.00 C ATOM 1497 C LYS A 99 10.713 9.118 -5.057 1.00 0.00 C ATOM 1498 O LYS A 99 9.564 9.195 -5.475 1.00 0.00 O ATOM 1499 CB LYS A 99 11.763 6.929 -4.586 1.00 0.00 C ATOM 1500 CG LYS A 99 10.815 6.089 -5.440 1.00 0.00 C ATOM 1501 CD LYS A 99 11.530 5.246 -6.490 1.00 0.00 C ATOM 1502 CE LYS A 99 12.735 4.509 -5.940 1.00 0.00 C ATOM 1503 NZ LYS A 99 13.270 3.530 -6.911 1.00 0.00 N ATOM 0 H LYS A 99 9.658 6.734 -3.350 1.00 0.00 H new ATOM 0 HA LYS A 99 11.755 8.592 -3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.589 7.276 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.192 6.301 -3.806 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.238 5.432 -4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.105 6.749 -5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.828 4.523 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 99 11.848 5.890 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.513 5.227 -5.681 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.458 3.994 -5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.185 3.170 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 12.602 2.739 -7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.400 3.992 -7.834 1.00 0.00 H new ATOM 1517 N ARG A 100 11.685 9.804 -5.574 1.00 0.00 N ATOM 1518 CA ARG A 100 11.438 10.771 -6.630 1.00 0.00 C ATOM 1519 C ARG A 100 12.269 10.421 -7.830 1.00 0.00 C ATOM 1520 O ARG A 100 12.291 11.131 -8.838 1.00 0.00 O ATOM 1521 CB ARG A 100 11.716 12.195 -6.148 1.00 0.00 C ATOM 1522 CG ARG A 100 13.072 12.378 -5.520 1.00 0.00 C ATOM 1523 CD ARG A 100 13.294 13.814 -5.075 1.00 0.00 C ATOM 1524 NE ARG A 100 13.284 14.751 -6.200 1.00 0.00 N ATOM 1525 CZ ARG A 100 13.048 16.072 -6.113 1.00 0.00 C ATOM 1526 NH1 ARG A 100 12.789 16.642 -4.933 1.00 0.00 N ATOM 1527 NH2 ARG A 100 13.076 16.816 -7.207 1.00 0.00 N ATOM 0 H ARG A 100 12.661 9.721 -5.291 1.00 0.00 H new ATOM 0 HA ARG A 100 10.386 10.733 -6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.624 12.878 -6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.951 12.478 -5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.169 11.712 -4.663 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.845 12.094 -6.234 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.518 14.096 -4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.248 13.887 -4.552 1.00 0.00 H new ATOM 0 HE ARG A 100 13.472 14.370 -7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.769 16.074 -4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.612 17.645 -4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 100 13.276 16.387 -8.111 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.898 17.818 -7.147 1.00 0.00 H new ATOM 1541 N SER A 101 12.934 9.302 -7.701 1.00 0.00 N ATOM 1542 CA SER A 101 13.783 8.743 -8.697 1.00 0.00 C ATOM 1543 C SER A 101 12.968 8.440 -9.963 1.00 0.00 C ATOM 1544 O SER A 101 13.354 8.799 -11.076 1.00 0.00 O ATOM 1545 CB SER A 101 14.318 7.458 -8.103 1.00 0.00 C ATOM 1546 OG SER A 101 14.737 7.673 -6.767 1.00 0.00 O ATOM 0 H SER A 101 12.889 8.736 -6.854 1.00 0.00 H new ATOM 0 HA SER A 101 14.588 9.423 -8.976 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.547 6.688 -8.130 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.154 7.094 -8.700 1.00 0.00 H new ATOM 0 HG SER A 101 15.079 6.835 -6.393 1.00 0.00 H new ATOM 1552 N GLU A 102 11.814 7.841 -9.762 1.00 0.00 N ATOM 1553 CA GLU A 102 10.947 7.447 -10.858 1.00 0.00 C ATOM 1554 C GLU A 102 9.736 8.345 -10.920 1.00 0.00 C ATOM 1555 O GLU A 102 9.612 9.274 -10.117 1.00 0.00 O ATOM 1556 CB GLU A 102 10.527 5.970 -10.762 1.00 0.00 C ATOM 1557 CG GLU A 102 11.568 4.958 -11.250 1.00 0.00 C ATOM 1558 CD GLU A 102 12.872 4.975 -10.497 1.00 0.00 C ATOM 1559 OE1 GLU A 102 12.949 4.375 -9.400 1.00 0.00 O ATOM 1560 OE2 GLU A 102 13.857 5.553 -10.996 1.00 0.00 O ATOM 0 H GLU A 102 11.449 7.613 -8.838 1.00 0.00 H new ATOM 0 HA GLU A 102 11.516 7.558 -11.781 1.00 0.00 H new ATOM 0 HB2 GLU A 102 10.286 5.745 -9.723 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.612 5.832 -11.339 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.140 3.958 -11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.771 5.148 -12.304 1.00 0.00 H new ATOM 1567 N GLU A 103 8.864 8.101 -11.871 1.00 0.00 N ATOM 1568 CA GLU A 103 7.687 8.920 -12.034 1.00 0.00 C ATOM 1569 C GLU A 103 6.420 8.094 -12.195 1.00 0.00 C ATOM 1570 O GLU A 103 5.512 8.194 -11.389 1.00 0.00 O ATOM 1571 CB GLU A 103 7.885 9.920 -13.172 1.00 0.00 C ATOM 1572 CG GLU A 103 8.383 9.338 -14.465 1.00 0.00 C ATOM 1573 CD GLU A 103 8.751 10.404 -15.442 1.00 0.00 C ATOM 1574 OE1 GLU A 103 9.899 10.873 -15.416 1.00 0.00 O ATOM 1575 OE2 GLU A 103 7.897 10.812 -16.237 1.00 0.00 O ATOM 0 H GLU A 103 8.949 7.340 -12.545 1.00 0.00 H new ATOM 0 HA GLU A 103 7.547 9.488 -11.114 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.936 10.421 -13.361 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.589 10.684 -12.843 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.250 8.707 -14.270 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.614 8.698 -14.897 1.00 0.00 H new ATOM 1582 N VAL A 104 6.350 7.306 -13.234 1.00 0.00 N ATOM 1583 CA VAL A 104 5.209 6.446 -13.428 1.00 0.00 C ATOM 1584 C VAL A 104 5.540 5.105 -12.890 1.00 0.00 C ATOM 1585 O VAL A 104 6.570 4.505 -13.249 1.00 0.00 O ATOM 1586 CB VAL A 104 4.783 6.294 -14.894 1.00 0.00 C ATOM 1587 CG1 VAL A 104 3.493 5.506 -14.996 1.00 0.00 C ATOM 1588 CG2 VAL A 104 4.676 7.628 -15.566 1.00 0.00 C ATOM 0 H VAL A 104 7.066 7.240 -13.958 1.00 0.00 H new ATOM 0 HA VAL A 104 4.371 6.909 -12.907 1.00 0.00 H new ATOM 0 HB VAL A 104 5.555 5.732 -15.420 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.208 5.409 -16.044 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.637 4.515 -14.566 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.705 6.026 -14.452 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.373 7.489 -16.604 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.934 8.237 -15.049 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.643 8.130 -15.535 1.00 0.00 H new ATOM 1598 N VAL A 105 4.713 4.644 -12.040 1.00 0.00 N ATOM 1599 CA VAL A 105 4.907 3.403 -11.397 1.00 0.00 C ATOM 1600 C VAL A 105 3.677 2.532 -11.564 1.00 0.00 C ATOM 1601 O VAL A 105 2.564 3.026 -11.705 1.00 0.00 O ATOM 1602 CB VAL A 105 5.198 3.604 -9.897 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.531 4.315 -9.680 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.083 4.404 -9.276 1.00 0.00 C ATOM 0 H VAL A 105 3.859 5.128 -11.762 1.00 0.00 H new ATOM 0 HA VAL A 105 5.764 2.912 -11.857 1.00 0.00 H new ATOM 0 HB VAL A 105 5.261 2.624 -9.423 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.706 4.441 -8.612 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.335 3.720 -10.112 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.505 5.293 -10.161 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.286 4.548 -8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.014 5.375 -9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.141 3.869 -9.396 1.00 0.00 H new ATOM 1614 N ARG A 106 3.885 1.260 -11.526 1.00 0.00 N ATOM 1615 CA ARG A 106 2.830 0.284 -11.648 1.00 0.00 C ATOM 1616 C ARG A 106 2.926 -0.569 -10.453 1.00 0.00 C ATOM 1617 O ARG A 106 3.960 -1.190 -10.232 1.00 0.00 O ATOM 1618 CB ARG A 106 2.987 -0.573 -12.901 1.00 0.00 C ATOM 1619 CG ARG A 106 2.819 0.195 -14.191 1.00 0.00 C ATOM 1620 CD ARG A 106 2.970 -0.713 -15.386 1.00 0.00 C ATOM 1621 NE ARG A 106 2.748 0.001 -16.642 1.00 0.00 N ATOM 1622 CZ ARG A 106 3.288 -0.331 -17.814 1.00 0.00 C ATOM 1623 NH1 ARG A 106 4.128 -1.351 -17.906 1.00 0.00 N ATOM 1624 NH2 ARG A 106 2.991 0.361 -18.894 1.00 0.00 N ATOM 0 H ARG A 106 4.811 0.849 -11.407 1.00 0.00 H new ATOM 0 HA ARG A 106 1.864 0.783 -11.729 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.973 -1.037 -12.891 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.255 -1.380 -12.872 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.837 0.668 -14.211 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.559 0.994 -14.241 1.00 0.00 H new ATOM 0 HD2 ARG A 106 3.969 -1.149 -15.387 1.00 0.00 H new ATOM 0 HD3 ARG A 106 2.262 -1.538 -15.307 1.00 0.00 H new ATOM 0 HE ARG A 106 2.133 0.815 -16.620 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.367 -1.891 -17.075 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.535 -1.596 -18.808 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.348 1.150 -18.833 1.00 0.00 H new ATOM 0 HH22 ARG A 106 3.404 0.108 -19.792 1.00 0.00 H new ATOM 1638 N LEU A 107 1.937 -0.565 -9.637 1.00 0.00 N ATOM 1639 CA LEU A 107 2.031 -1.266 -8.435 1.00 0.00 C ATOM 1640 C LEU A 107 1.008 -2.357 -8.470 1.00 0.00 C ATOM 1641 O LEU A 107 -0.024 -2.221 -9.110 1.00 0.00 O ATOM 1642 CB LEU A 107 1.792 -0.327 -7.224 1.00 0.00 C ATOM 1643 CG LEU A 107 2.410 1.110 -7.265 1.00 0.00 C ATOM 1644 CD1 LEU A 107 3.828 1.149 -7.737 1.00 0.00 C ATOM 1645 CD2 LEU A 107 1.554 2.089 -8.022 1.00 0.00 C ATOM 0 H LEU A 107 1.054 -0.078 -9.791 1.00 0.00 H new ATOM 0 HA LEU A 107 3.031 -1.684 -8.320 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.715 -0.222 -7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.174 -0.828 -6.335 1.00 0.00 H new ATOM 0 HG LEU A 107 2.430 1.428 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.183 2.179 -7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.450 0.551 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.886 0.745 -8.748 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.031 3.069 -8.018 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.434 1.748 -9.050 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.576 2.160 -7.547 1.00 0.00 H new ATOM 1657 N LEU A 108 1.306 -3.430 -7.860 1.00 0.00 N ATOM 1658 CA LEU A 108 0.397 -4.508 -7.778 1.00 0.00 C ATOM 1659 C LEU A 108 -0.045 -4.663 -6.393 1.00 0.00 C ATOM 1660 O LEU A 108 0.777 -4.856 -5.476 1.00 0.00 O ATOM 1661 CB LEU A 108 0.962 -5.805 -8.317 1.00 0.00 C ATOM 1662 CG LEU A 108 0.623 -6.118 -9.769 1.00 0.00 C ATOM 1663 CD1 LEU A 108 1.324 -5.162 -10.731 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.931 -7.567 -10.109 1.00 0.00 C ATOM 0 H LEU A 108 2.199 -3.593 -7.395 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.455 -4.270 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.047 -5.779 -8.214 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.602 -6.624 -7.694 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.450 -5.970 -9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.057 -5.417 -11.757 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.012 -4.139 -10.519 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.403 -5.246 -10.605 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.678 -7.758 -11.152 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.992 -7.760 -9.952 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.344 -8.224 -9.467 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.308 -4.567 -6.218 1.00 0.00 N ATOM 1677 CA VAL A 109 -1.873 -4.619 -4.910 1.00 0.00 C ATOM 1678 C VAL A 109 -2.774 -5.800 -4.763 1.00 0.00 C ATOM 1679 O VAL A 109 -3.406 -6.245 -5.731 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.606 -3.324 -4.511 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.656 -2.146 -4.468 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.760 -3.027 -5.424 1.00 0.00 C ATOM 0 H VAL A 109 -1.986 -4.450 -6.971 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.034 -4.724 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.005 -3.486 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.203 -1.247 -4.183 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.870 -2.339 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.209 -2.003 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.248 -2.106 -5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.396 -2.911 -6.445 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.475 -3.848 -5.385 1.00 0.00 H new ATOM 1692 N THR A 110 -2.811 -6.324 -3.588 1.00 0.00 N ATOM 1693 CA THR A 110 -3.611 -7.448 -3.294 1.00 0.00 C ATOM 1694 C THR A 110 -4.647 -7.081 -2.245 1.00 0.00 C ATOM 1695 O THR A 110 -4.322 -6.539 -1.170 1.00 0.00 O ATOM 1696 CB THR A 110 -2.748 -8.623 -2.800 1.00 0.00 C ATOM 1697 OG1 THR A 110 -1.954 -8.216 -1.670 1.00 0.00 O ATOM 1698 CG2 THR A 110 -1.829 -9.097 -3.895 1.00 0.00 C ATOM 0 H THR A 110 -2.275 -5.973 -2.794 1.00 0.00 H new ATOM 0 HA THR A 110 -4.118 -7.761 -4.207 1.00 0.00 H new ATOM 0 HB THR A 110 -3.415 -9.434 -2.508 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.512 -7.365 -1.870 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.226 -9.928 -3.529 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.420 -9.426 -4.749 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.175 -8.280 -4.200 1.00 0.00 H new ATOM 1706 N ARG A 111 -5.871 -7.353 -2.540 1.00 0.00 N ATOM 1707 CA ARG A 111 -6.935 -7.031 -1.645 1.00 0.00 C ATOM 1708 C ARG A 111 -7.315 -8.220 -0.834 1.00 0.00 C ATOM 1709 O ARG A 111 -8.013 -9.108 -1.293 1.00 0.00 O ATOM 1710 CB ARG A 111 -8.091 -6.396 -2.386 1.00 0.00 C ATOM 1711 CG ARG A 111 -7.653 -5.067 -2.944 1.00 0.00 C ATOM 1712 CD ARG A 111 -8.697 -4.302 -3.715 1.00 0.00 C ATOM 1713 NE ARG A 111 -8.133 -2.995 -4.032 1.00 0.00 N ATOM 1714 CZ ARG A 111 -8.364 -2.259 -5.095 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -9.384 -2.542 -5.906 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -7.599 -1.194 -5.303 1.00 0.00 N ATOM 0 H ARG A 111 -6.165 -7.804 -3.406 1.00 0.00 H new ATOM 0 HA ARG A 111 -6.594 -6.279 -0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -8.425 -7.050 -3.192 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -8.938 -6.260 -1.714 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -7.309 -4.444 -2.119 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -6.796 -5.233 -3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -8.968 -4.835 -4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -9.608 -4.195 -3.126 1.00 0.00 H new ATOM 0 HE ARG A 111 -7.483 -2.607 -3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -9.992 -3.335 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -9.556 -1.965 -6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -6.854 -0.965 -4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -7.756 -0.605 -6.121 1.00 0.00 H new ATOM 1730 N GLN A 112 -6.762 -8.248 0.357 1.00 0.00 N ATOM 1731 CA GLN A 112 -6.923 -9.351 1.285 1.00 0.00 C ATOM 1732 C GLN A 112 -8.249 -9.254 2.032 1.00 0.00 C ATOM 1733 O GLN A 112 -8.950 -10.238 2.206 1.00 0.00 O ATOM 1734 CB GLN A 112 -5.788 -9.337 2.303 1.00 0.00 C ATOM 1735 CG GLN A 112 -4.373 -9.367 1.731 1.00 0.00 C ATOM 1736 CD GLN A 112 -4.096 -10.550 0.839 1.00 0.00 C ATOM 1737 OE1 GLN A 112 -4.165 -10.336 -0.437 1.00 0.00 O flip ATOM 1738 NE2 GLN A 112 -3.734 -11.622 1.302 1.00 0.00 N flip ATOM 0 H GLN A 112 -6.177 -7.494 0.717 1.00 0.00 H new ATOM 0 HA GLN A 112 -6.907 -10.277 0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -5.890 -8.443 2.919 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -5.909 -10.195 2.964 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -4.201 -8.451 1.166 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -3.659 -9.372 2.555 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -3.692 -11.753 2.313 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -3.474 -12.385 0.678 1.00 0.00 H new ATOM 1747 N SER A 113 -8.564 -8.061 2.490 1.00 0.00 N ATOM 1748 CA SER A 113 -9.782 -7.831 3.248 1.00 0.00 C ATOM 1749 C SER A 113 -10.351 -6.487 2.846 1.00 0.00 C ATOM 1750 O SER A 113 -11.147 -5.879 3.554 1.00 0.00 O ATOM 1751 CB SER A 113 -9.475 -7.872 4.754 1.00 0.00 C ATOM 1752 OG SER A 113 -10.662 -7.744 5.542 1.00 0.00 O ATOM 0 H SER A 113 -7.991 -7.229 2.351 1.00 0.00 H new ATOM 0 HA SER A 113 -10.515 -8.609 3.035 1.00 0.00 H new ATOM 0 HB2 SER A 113 -8.976 -8.810 4.998 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.783 -7.068 5.006 1.00 0.00 H new ATOM 0 HG SER A 113 -11.287 -7.135 5.095 1.00 0.00 H new ATOM 1758 N LEU A 114 -9.924 -6.049 1.698 1.00 0.00 N ATOM 1759 CA LEU A 114 -10.328 -4.787 1.125 1.00 0.00 C ATOM 1760 C LEU A 114 -10.780 -5.076 -0.279 1.00 0.00 C ATOM 1761 O LEU A 114 -10.520 -4.328 -1.190 1.00 0.00 O ATOM 1762 CB LEU A 114 -9.157 -3.756 1.110 1.00 0.00 C ATOM 1763 CG LEU A 114 -8.713 -3.112 2.453 1.00 0.00 C ATOM 1764 CD1 LEU A 114 -9.878 -2.442 3.168 1.00 0.00 C ATOM 1765 CD2 LEU A 114 -7.987 -4.094 3.371 1.00 0.00 C ATOM 0 H LEU A 114 -9.268 -6.569 1.115 1.00 0.00 H new ATOM 0 HA LEU A 114 -11.125 -4.344 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.287 -4.250 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.436 -2.949 0.433 1.00 0.00 H new ATOM 0 HG LEU A 114 -7.991 -2.338 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -9.528 -2.004 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.293 -1.659 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -10.649 -3.183 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -7.701 -3.587 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -8.647 -4.929 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -7.094 -4.467 2.871 1.00 0.00 H new ATOM 1777 N GLN A 115 -11.490 -6.169 -0.417 1.00 0.00 N ATOM 1778 CA GLN A 115 -11.955 -6.668 -1.702 1.00 0.00 C ATOM 1779 C GLN A 115 -13.149 -5.831 -2.194 1.00 0.00 C ATOM 1780 O GLN A 115 -13.431 -5.769 -3.402 1.00 0.00 O ATOM 1781 CB GLN A 115 -12.379 -8.135 -1.522 1.00 0.00 C ATOM 1782 CG GLN A 115 -12.655 -8.896 -2.798 1.00 0.00 C ATOM 1783 CD GLN A 115 -11.424 -9.038 -3.648 1.00 0.00 C ATOM 1784 OE1 GLN A 115 -11.144 -8.204 -4.499 1.00 0.00 O ATOM 1785 NE2 GLN A 115 -10.662 -10.073 -3.418 1.00 0.00 N ATOM 0 H GLN A 115 -11.770 -6.753 0.371 1.00 0.00 H new ATOM 0 HA GLN A 115 -11.159 -6.595 -2.443 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.596 -8.656 -0.972 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -13.276 -8.162 -0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.042 -9.885 -2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -13.430 -8.382 -3.366 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -10.924 -10.750 -2.701 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -9.805 -10.205 -3.955 1.00 0.00 H new ATOM 1794 N LYS A 116 -13.812 -5.174 -1.233 1.00 0.00 N ATOM 1795 CA LYS A 116 -15.020 -4.371 -1.440 1.00 0.00 C ATOM 1796 C LYS A 116 -16.215 -5.255 -1.748 1.00 0.00 C ATOM 1797 O LYS A 116 -16.107 -6.486 -1.800 1.00 0.00 O ATOM 1798 CB LYS A 116 -14.877 -3.235 -2.511 1.00 0.00 C ATOM 1799 CG LYS A 116 -14.062 -1.995 -2.094 1.00 0.00 C ATOM 1800 CD LYS A 116 -12.584 -2.295 -1.957 1.00 0.00 C ATOM 1801 CE LYS A 116 -11.785 -1.101 -1.450 1.00 0.00 C ATOM 1802 NZ LYS A 116 -12.218 -0.673 -0.102 1.00 0.00 N ATOM 0 H LYS A 116 -13.511 -5.189 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 116 -15.183 -3.855 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.416 -3.662 -3.402 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -15.877 -2.906 -2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -14.203 -1.206 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -14.442 -1.616 -1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -12.450 -3.133 -1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -12.190 -2.606 -2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -10.726 -1.358 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -11.895 -0.270 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -11.510 -0.027 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -13.133 -0.184 -0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -12.316 -1.507 0.512 1.00 0.00 H new ATOM 1816 N ALA A 117 -17.343 -4.641 -1.895 1.00 0.00 N ATOM 1817 CA ALA A 117 -18.561 -5.304 -2.245 1.00 0.00 C ATOM 1818 C ALA A 117 -19.383 -4.326 -3.018 1.00 0.00 C ATOM 1819 O ALA A 117 -19.093 -3.109 -2.971 1.00 0.00 O ATOM 1820 CB ALA A 117 -19.311 -5.777 -1.009 1.00 0.00 C ATOM 0 H ALA A 117 -17.448 -3.634 -1.772 1.00 0.00 H new ATOM 0 HA ALA A 117 -18.350 -6.193 -2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -20.232 -6.276 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -18.687 -6.474 -0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -19.553 -4.920 -0.380 1.00 0.00 H new ATOM 1826 N VAL A 118 -20.394 -4.819 -3.688 1.00 0.00 N ATOM 1827 CA VAL A 118 -21.238 -4.028 -4.551 1.00 0.00 C ATOM 1828 C VAL A 118 -20.419 -3.487 -5.715 1.00 0.00 C ATOM 1829 O VAL A 118 -19.985 -2.329 -5.742 1.00 0.00 O ATOM 1830 CB VAL A 118 -22.039 -2.895 -3.816 1.00 0.00 C ATOM 1831 CG1 VAL A 118 -22.961 -2.150 -4.786 1.00 0.00 C ATOM 1832 CG2 VAL A 118 -22.852 -3.475 -2.661 1.00 0.00 C ATOM 0 H VAL A 118 -20.660 -5.803 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 118 -22.011 -4.695 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 118 -21.316 -2.183 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -23.502 -1.372 -4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -22.365 -1.696 -5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -23.672 -2.851 -5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -23.400 -2.675 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -23.556 -4.212 -3.046 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -22.181 -3.953 -1.947 1.00 0.00 H new ATOM 1842 N GLN A 119 -20.134 -4.374 -6.638 1.00 0.00 N ATOM 1843 CA GLN A 119 -19.393 -4.037 -7.839 1.00 0.00 C ATOM 1844 C GLN A 119 -20.370 -3.552 -8.897 1.00 0.00 C ATOM 1845 O GLN A 119 -19.995 -3.220 -10.030 1.00 0.00 O ATOM 1846 CB GLN A 119 -18.605 -5.251 -8.347 1.00 0.00 C ATOM 1847 CG GLN A 119 -17.618 -5.832 -7.328 1.00 0.00 C ATOM 1848 CD GLN A 119 -16.566 -4.834 -6.870 1.00 0.00 C ATOM 1849 OE1 GLN A 119 -16.756 -4.109 -5.894 1.00 0.00 O ATOM 1850 NE2 GLN A 119 -15.464 -4.791 -7.560 1.00 0.00 N ATOM 0 H GLN A 119 -20.409 -5.355 -6.581 1.00 0.00 H new ATOM 0 HA GLN A 119 -18.676 -3.247 -7.615 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -19.309 -6.030 -8.639 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -18.057 -4.964 -9.244 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -18.172 -6.189 -6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -17.121 -6.697 -7.767 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -15.341 -5.407 -8.364 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -14.723 -4.141 -7.297 1.00 0.00 H new ATOM 1859 N GLN A 120 -21.632 -3.489 -8.501 1.00 0.00 N ATOM 1860 CA GLN A 120 -22.705 -3.033 -9.346 1.00 0.00 C ATOM 1861 C GLN A 120 -22.680 -1.528 -9.487 1.00 0.00 C ATOM 1862 O GLN A 120 -23.472 -0.816 -8.890 1.00 0.00 O ATOM 1863 CB GLN A 120 -24.068 -3.514 -8.836 1.00 0.00 C ATOM 1864 CG GLN A 120 -24.223 -5.020 -8.846 1.00 0.00 C ATOM 1865 CD GLN A 120 -24.036 -5.609 -10.229 1.00 0.00 C ATOM 1866 OE1 GLN A 120 -24.343 -4.967 -11.259 1.00 0.00 O ATOM 1867 NE2 GLN A 120 -23.500 -6.790 -10.284 1.00 0.00 N ATOM 0 H GLN A 120 -21.936 -3.760 -7.566 1.00 0.00 H new ATOM 0 HA GLN A 120 -22.553 -3.469 -10.333 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -24.216 -3.149 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -24.853 -3.072 -9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -23.497 -5.462 -8.164 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -25.212 -5.283 -8.472 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -23.263 -7.283 -9.423 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -23.316 -7.225 -11.188 1.00 0.00 H new ATOM 1876 N SER A 121 -21.706 -1.070 -10.199 1.00 0.00 N ATOM 1877 CA SER A 121 -21.542 0.315 -10.501 1.00 0.00 C ATOM 1878 C SER A 121 -21.309 0.410 -12.009 1.00 0.00 C ATOM 1879 O SER A 121 -21.027 1.463 -12.567 1.00 0.00 O ATOM 1880 CB SER A 121 -20.337 0.858 -9.702 1.00 0.00 C ATOM 1881 OG SER A 121 -20.210 2.265 -9.801 1.00 0.00 O ATOM 0 H SER A 121 -20.980 -1.665 -10.599 1.00 0.00 H new ATOM 0 HA SER A 121 -22.414 0.909 -10.227 1.00 0.00 H new ATOM 0 HB2 SER A 121 -20.445 0.579 -8.654 1.00 0.00 H new ATOM 0 HB3 SER A 121 -19.423 0.388 -10.065 1.00 0.00 H new ATOM 0 HG SER A 121 -20.340 2.541 -10.732 1.00 0.00 H new ATOM 1887 N MET A 122 -21.487 -0.721 -12.661 1.00 0.00 N ATOM 1888 CA MET A 122 -21.251 -0.871 -14.070 1.00 0.00 C ATOM 1889 C MET A 122 -22.005 -2.100 -14.521 1.00 0.00 C ATOM 1890 O MET A 122 -22.623 -2.775 -13.678 1.00 0.00 O ATOM 1891 CB MET A 122 -19.745 -1.055 -14.340 1.00 0.00 C ATOM 1892 CG MET A 122 -19.155 -2.329 -13.736 1.00 0.00 C ATOM 1893 SD MET A 122 -17.396 -2.510 -14.064 1.00 0.00 S ATOM 1894 CE MET A 122 -17.079 -4.094 -13.289 1.00 0.00 C ATOM 0 H MET A 122 -21.807 -1.577 -12.209 1.00 0.00 H new ATOM 0 HA MET A 122 -21.586 0.014 -14.611 1.00 0.00 H new ATOM 0 HB2 MET A 122 -19.578 -1.065 -15.417 1.00 0.00 H new ATOM 0 HB3 MET A 122 -19.207 -0.194 -13.942 1.00 0.00 H new ATOM 0 HG2 MET A 122 -19.320 -2.324 -12.659 1.00 0.00 H new ATOM 0 HG3 MET A 122 -19.685 -3.194 -14.136 1.00 0.00 H new ATOM 0 HE1 MET A 122 -16.026 -4.352 -13.405 1.00 0.00 H new ATOM 0 HE2 MET A 122 -17.324 -4.036 -12.228 1.00 0.00 H new ATOM 0 HE3 MET A 122 -17.694 -4.860 -13.761 1.00 0.00 H new ATOM 1904 N LEU A 123 -21.932 -2.396 -15.806 1.00 0.00 N ATOM 1905 CA LEU A 123 -22.580 -3.540 -16.427 1.00 0.00 C ATOM 1906 C LEU A 123 -24.085 -3.515 -16.195 1.00 0.00 C ATOM 1907 O LEU A 123 -24.642 -4.235 -15.344 1.00 0.00 O ATOM 1908 CB LEU A 123 -21.932 -4.871 -16.003 1.00 0.00 C ATOM 1909 CG LEU A 123 -22.453 -6.140 -16.679 1.00 0.00 C ATOM 1910 CD1 LEU A 123 -22.298 -6.055 -18.189 1.00 0.00 C ATOM 1911 CD2 LEU A 123 -21.717 -7.346 -16.141 1.00 0.00 C ATOM 0 H LEU A 123 -21.403 -1.829 -16.469 1.00 0.00 H new ATOM 0 HA LEU A 123 -22.427 -3.463 -17.503 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -20.861 -4.802 -16.191 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -22.060 -4.983 -14.926 1.00 0.00 H new ATOM 0 HG LEU A 123 -23.515 -6.241 -16.456 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -22.676 -6.970 -18.646 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -22.862 -5.202 -18.565 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -21.244 -5.933 -18.440 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -22.092 -8.247 -16.626 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -20.651 -7.242 -16.343 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -21.877 -7.420 -15.065 1.00 0.00 H new ATOM 1923 N SER A 124 -24.710 -2.599 -16.866 1.00 0.00 N ATOM 1924 CA SER A 124 -26.126 -2.386 -16.816 1.00 0.00 C ATOM 1925 C SER A 124 -26.523 -1.746 -18.130 1.00 0.00 C ATOM 1926 O SER A 124 -26.168 -0.574 -18.348 1.00 0.00 O ATOM 1927 CB SER A 124 -26.498 -1.478 -15.628 1.00 0.00 C ATOM 1928 OG SER A 124 -26.007 -2.028 -14.406 1.00 0.00 O ATOM 1929 OXT SER A 124 -27.126 -2.428 -18.977 1.00 0.00 O ATOM 0 H SER A 124 -24.229 -1.951 -17.490 1.00 0.00 H new ATOM 0 HA SER A 124 -26.655 -3.328 -16.672 1.00 0.00 H new ATOM 0 HB2 SER A 124 -26.081 -0.482 -15.779 1.00 0.00 H new ATOM 0 HB3 SER A 124 -27.581 -1.365 -15.574 1.00 0.00 H new ATOM 0 HG SER A 124 -26.250 -1.439 -13.661 1.00 0.00 H new TER 1935 SER A 124