USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 950 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 74 THR OG1 : rot -67:sc= 0.0032 USER MOD Set 1.2: A 79 THR OG1 : rot -100:sc= 0.273 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 26:sc= 0.0406 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -5.67! C(o=-5.7!,f=-4.9!) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 33 THR OG1 : rot -21:sc= 0.94 USER MOD Single : A 34 TYR OH : rot 118:sc= 0.995 USER MOD Single : A 37 LYS NZ :NH3+ -160:sc= -0.0188 (180deg=-0.248) USER MOD Single : A 41 GLN : amide:sc= -0.423 K(o=-0.42,f=-1.7) USER MOD Single : A 43 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.65) USER MOD Single : A 49 GLN : amide:sc= -0.535 K(o=-0.53,f=-4.1!) USER MOD Single : A 51 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0421) USER MOD Single : A 55 GLN : amide:sc=-0.00527 X(o=-0.0053,f=-0.48) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= -1.51 (180deg=-1.88) USER MOD Single : A 67 THR OG1 : rot 14:sc= 0.632 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0578 USER MOD Single : A 71 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 75 SER OG : rot -65:sc= 1.3 USER MOD Single : A 85 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.5) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -92:sc= 1.11 USER MOD Single : A 94 TYR OH : rot 135:sc= 0.0252 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc=-0.00289 X(o=-0.0029,f=0.34) USER MOD Single : A 103 MET CE :methyl -152:sc= -1.22 (180deg=-1.56) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 68.339 -25.845 12.104 1.00 0.00 N ATOM 2 CA GLY A 1 67.517 -26.494 13.108 1.00 0.00 C ATOM 3 C GLY A 1 66.826 -25.502 14.022 1.00 0.00 C ATOM 4 O GLY A 1 67.099 -25.457 15.221 1.00 0.00 O ATOM 0 H1 GLY A 1 68.789 -26.566 11.505 1.00 0.00 H new ATOM 0 H2 GLY A 1 67.745 -25.227 11.515 1.00 0.00 H new ATOM 0 H3 GLY A 1 69.073 -25.276 12.571 1.00 0.00 H new ATOM 0 HA2 GLY A 1 66.767 -27.112 12.615 1.00 0.00 H new ATOM 0 HA3 GLY A 1 68.138 -27.162 13.705 1.00 0.00 H new ATOM 8 N SER A 2 65.928 -24.703 13.454 1.00 0.00 N ATOM 9 CA SER A 2 65.199 -23.703 14.224 1.00 0.00 C ATOM 10 C SER A 2 63.742 -23.629 13.778 1.00 0.00 C ATOM 11 O SER A 2 63.448 -23.287 12.633 1.00 0.00 O ATOM 12 CB SER A 2 65.860 -22.331 14.074 1.00 0.00 C ATOM 13 OG SER A 2 67.174 -22.338 14.605 1.00 0.00 O ATOM 0 H SER A 2 65.688 -24.729 12.463 1.00 0.00 H new ATOM 0 HA SER A 2 65.225 -23.999 15.273 1.00 0.00 H new ATOM 0 HB2 SER A 2 65.891 -22.052 13.021 1.00 0.00 H new ATOM 0 HB3 SER A 2 65.261 -21.577 14.586 1.00 0.00 H new ATOM 0 HG SER A 2 67.576 -21.451 14.496 1.00 0.00 H new ATOM 19 N SER A 3 62.833 -23.952 14.692 1.00 0.00 N ATOM 20 CA SER A 3 61.405 -23.927 14.393 1.00 0.00 C ATOM 21 C SER A 3 60.624 -23.270 15.527 1.00 0.00 C ATOM 22 O SER A 3 60.904 -23.500 16.703 1.00 0.00 O ATOM 23 CB SER A 3 60.887 -25.347 14.157 1.00 0.00 C ATOM 24 OG SER A 3 61.400 -25.883 12.950 1.00 0.00 O ATOM 0 H SER A 3 63.059 -24.234 15.646 1.00 0.00 H new ATOM 0 HA SER A 3 61.259 -23.339 13.487 1.00 0.00 H new ATOM 0 HB2 SER A 3 61.173 -25.985 14.993 1.00 0.00 H new ATOM 0 HB3 SER A 3 59.798 -25.339 14.121 1.00 0.00 H new ATOM 0 HG SER A 3 61.055 -26.792 12.823 1.00 0.00 H new ATOM 30 N GLY A 4 59.643 -22.450 15.164 1.00 0.00 N ATOM 31 CA GLY A 4 58.836 -21.771 16.161 1.00 0.00 C ATOM 32 C GLY A 4 57.750 -20.914 15.542 1.00 0.00 C ATOM 33 O GLY A 4 57.696 -19.706 15.773 1.00 0.00 O ATOM 0 H GLY A 4 59.392 -22.244 14.197 1.00 0.00 H new ATOM 0 HA2 GLY A 4 58.380 -22.510 16.820 1.00 0.00 H new ATOM 0 HA3 GLY A 4 59.479 -21.146 16.780 1.00 0.00 H new ATOM 37 N SER A 5 56.882 -21.539 14.753 1.00 0.00 N ATOM 38 CA SER A 5 55.795 -20.825 14.094 1.00 0.00 C ATOM 39 C SER A 5 54.670 -21.782 13.711 1.00 0.00 C ATOM 40 O SER A 5 54.811 -22.584 12.788 1.00 0.00 O ATOM 41 CB SER A 5 56.312 -20.102 12.849 1.00 0.00 C ATOM 42 OG SER A 5 55.425 -19.070 12.453 1.00 0.00 O ATOM 0 H SER A 5 56.911 -22.539 14.555 1.00 0.00 H new ATOM 0 HA SER A 5 55.400 -20.089 14.794 1.00 0.00 H new ATOM 0 HB2 SER A 5 57.297 -19.681 13.052 1.00 0.00 H new ATOM 0 HB3 SER A 5 56.432 -20.816 12.034 1.00 0.00 H new ATOM 0 HG SER A 5 55.779 -18.622 11.656 1.00 0.00 H new ATOM 48 N SER A 6 53.553 -21.689 14.426 1.00 0.00 N ATOM 49 CA SER A 6 52.405 -22.548 14.164 1.00 0.00 C ATOM 50 C SER A 6 51.111 -21.739 14.157 1.00 0.00 C ATOM 51 O SER A 6 50.872 -20.922 15.046 1.00 0.00 O ATOM 52 CB SER A 6 52.321 -23.657 15.214 1.00 0.00 C ATOM 53 OG SER A 6 52.170 -23.117 16.516 1.00 0.00 O ATOM 0 H SER A 6 53.419 -21.028 15.191 1.00 0.00 H new ATOM 0 HA SER A 6 52.537 -22.998 13.180 1.00 0.00 H new ATOM 0 HB2 SER A 6 51.479 -24.312 14.989 1.00 0.00 H new ATOM 0 HB3 SER A 6 53.222 -24.270 15.173 1.00 0.00 H new ATOM 0 HG SER A 6 51.742 -22.237 16.458 1.00 0.00 H new ATOM 59 N GLY A 7 50.279 -21.973 13.147 1.00 0.00 N ATOM 60 CA GLY A 7 49.020 -21.259 13.042 1.00 0.00 C ATOM 61 C GLY A 7 48.727 -20.807 11.625 1.00 0.00 C ATOM 62 O GLY A 7 48.557 -19.615 11.367 1.00 0.00 O ATOM 0 H GLY A 7 50.454 -22.644 12.399 1.00 0.00 H new ATOM 0 HA2 GLY A 7 48.211 -21.902 13.390 1.00 0.00 H new ATOM 0 HA3 GLY A 7 49.042 -20.390 13.700 1.00 0.00 H new ATOM 66 N THR A 8 48.667 -21.761 10.701 1.00 0.00 N ATOM 67 CA THR A 8 48.394 -21.455 9.303 1.00 0.00 C ATOM 68 C THR A 8 46.896 -21.336 9.048 1.00 0.00 C ATOM 69 O THR A 8 46.398 -21.761 8.005 1.00 0.00 O ATOM 70 CB THR A 8 48.979 -22.531 8.368 1.00 0.00 C ATOM 71 OG1 THR A 8 48.501 -23.825 8.752 1.00 0.00 O ATOM 72 CG2 THR A 8 50.499 -22.514 8.407 1.00 0.00 C ATOM 0 H THR A 8 48.804 -22.753 10.896 1.00 0.00 H new ATOM 0 HA THR A 8 48.873 -20.499 9.090 1.00 0.00 H new ATOM 0 HB THR A 8 48.656 -22.312 7.350 1.00 0.00 H new ATOM 0 HG1 THR A 8 48.876 -24.503 8.152 1.00 0.00 H new ATOM 0 HG21 THR A 8 50.889 -23.282 7.739 1.00 0.00 H new ATOM 0 HG22 THR A 8 50.860 -21.537 8.086 1.00 0.00 H new ATOM 0 HG23 THR A 8 50.839 -22.711 9.424 1.00 0.00 H new ATOM 80 N LEU A 9 46.182 -20.755 10.005 1.00 0.00 N ATOM 81 CA LEU A 9 44.739 -20.578 9.884 1.00 0.00 C ATOM 82 C LEU A 9 44.401 -19.166 9.419 1.00 0.00 C ATOM 83 O LEU A 9 44.598 -18.197 10.151 1.00 0.00 O ATOM 84 CB LEU A 9 44.056 -20.864 11.222 1.00 0.00 C ATOM 85 CG LEU A 9 44.189 -22.293 11.752 1.00 0.00 C ATOM 86 CD1 LEU A 9 43.828 -22.351 13.228 1.00 0.00 C ATOM 87 CD2 LEU A 9 43.313 -23.243 10.949 1.00 0.00 C ATOM 0 H LEU A 9 46.579 -20.398 10.874 1.00 0.00 H new ATOM 0 HA LEU A 9 44.373 -21.284 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 9 44.463 -20.182 11.968 1.00 0.00 H new ATOM 0 HB3 LEU A 9 42.996 -20.632 11.123 1.00 0.00 H new ATOM 0 HG LEU A 9 45.227 -22.606 11.641 1.00 0.00 H new ATOM 0 HD11 LEU A 9 43.929 -23.375 13.587 1.00 0.00 H new ATOM 0 HD12 LEU A 9 44.497 -21.701 13.792 1.00 0.00 H new ATOM 0 HD13 LEU A 9 42.799 -22.018 13.364 1.00 0.00 H new ATOM 0 HD21 LEU A 9 43.420 -24.255 11.340 1.00 0.00 H new ATOM 0 HD22 LEU A 9 42.271 -22.932 11.028 1.00 0.00 H new ATOM 0 HD23 LEU A 9 43.619 -23.224 9.903 1.00 0.00 H new ATOM 99 N ALA A 10 43.888 -19.057 8.198 1.00 0.00 N ATOM 100 CA ALA A 10 43.517 -17.764 7.637 1.00 0.00 C ATOM 101 C ALA A 10 42.099 -17.794 7.077 1.00 0.00 C ATOM 102 O ALA A 10 41.892 -18.098 5.902 1.00 0.00 O ATOM 103 CB ALA A 10 44.505 -17.356 6.554 1.00 0.00 C ATOM 0 H ALA A 10 43.720 -19.849 7.578 1.00 0.00 H new ATOM 0 HA ALA A 10 43.547 -17.026 8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 10 44.216 -16.388 6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 10 45.505 -17.285 6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 10 44.503 -18.102 5.760 1.00 0.00 H new ATOM 109 N GLN A 11 41.126 -17.479 7.926 1.00 0.00 N ATOM 110 CA GLN A 11 39.727 -17.472 7.515 1.00 0.00 C ATOM 111 C GLN A 11 39.146 -16.064 7.586 1.00 0.00 C ATOM 112 O GLN A 11 39.221 -15.386 8.611 1.00 0.00 O ATOM 113 CB GLN A 11 38.910 -18.419 8.396 1.00 0.00 C ATOM 114 CG GLN A 11 39.284 -19.882 8.226 1.00 0.00 C ATOM 115 CD GLN A 11 38.216 -20.822 8.748 1.00 0.00 C ATOM 116 OE1 GLN A 11 37.744 -20.679 9.876 1.00 0.00 O ATOM 117 NE2 GLN A 11 37.827 -21.791 7.927 1.00 0.00 N ATOM 0 H GLN A 11 41.281 -17.226 8.902 1.00 0.00 H new ATOM 0 HA GLN A 11 39.676 -17.814 6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 11 39.045 -18.137 9.440 1.00 0.00 H new ATOM 0 HB3 GLN A 11 37.852 -18.294 8.166 1.00 0.00 H new ATOM 0 HG2 GLN A 11 39.459 -20.088 7.170 1.00 0.00 H new ATOM 0 HG3 GLN A 11 40.221 -20.077 8.748 1.00 0.00 H new ATOM 0 HE21 GLN A 11 38.245 -21.873 7.000 1.00 0.00 H new ATOM 0 HE22 GLN A 11 37.110 -22.453 8.223 1.00 0.00 H new ATOM 126 N PRO A 12 38.552 -15.611 6.472 1.00 0.00 N ATOM 127 CA PRO A 12 37.947 -14.279 6.383 1.00 0.00 C ATOM 128 C PRO A 12 36.680 -14.161 7.223 1.00 0.00 C ATOM 129 O PRO A 12 35.762 -14.972 7.098 1.00 0.00 O ATOM 130 CB PRO A 12 37.617 -14.138 4.895 1.00 0.00 C ATOM 131 CG PRO A 12 37.464 -15.537 4.407 1.00 0.00 C ATOM 132 CD PRO A 12 38.427 -16.364 5.213 1.00 0.00 C ATOM 0 HA PRO A 12 38.612 -13.503 6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 12 36.703 -13.564 4.745 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.412 -13.617 4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 12 36.441 -15.888 4.542 1.00 0.00 H new ATOM 0 HG3 PRO A 12 37.687 -15.606 3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 12 38.047 -17.371 5.383 1.00 0.00 H new ATOM 0 HD3 PRO A 12 39.388 -16.467 4.709 1.00 0.00 H new ATOM 140 N VAL A 13 36.635 -13.146 8.080 1.00 0.00 N ATOM 141 CA VAL A 13 35.480 -12.921 8.940 1.00 0.00 C ATOM 142 C VAL A 13 35.110 -11.443 8.988 1.00 0.00 C ATOM 143 O VAL A 13 35.812 -10.634 9.597 1.00 0.00 O ATOM 144 CB VAL A 13 35.741 -13.420 10.374 1.00 0.00 C ATOM 145 CG1 VAL A 13 34.526 -13.175 11.255 1.00 0.00 C ATOM 146 CG2 VAL A 13 36.115 -14.895 10.364 1.00 0.00 C ATOM 0 H VAL A 13 37.386 -12.466 8.197 1.00 0.00 H new ATOM 0 HA VAL A 13 34.652 -13.486 8.512 1.00 0.00 H new ATOM 0 HB VAL A 13 36.578 -12.859 10.789 1.00 0.00 H new ATOM 0 HG11 VAL A 13 34.730 -13.534 12.264 1.00 0.00 H new ATOM 0 HG12 VAL A 13 34.309 -12.107 11.287 1.00 0.00 H new ATOM 0 HG13 VAL A 13 33.667 -13.708 10.847 1.00 0.00 H new ATOM 0 HG21 VAL A 13 36.296 -15.231 11.385 1.00 0.00 H new ATOM 0 HG22 VAL A 13 35.300 -15.474 9.930 1.00 0.00 H new ATOM 0 HG23 VAL A 13 37.018 -15.037 9.770 1.00 0.00 H new ATOM 156 N THR A 14 34.001 -11.094 8.342 1.00 0.00 N ATOM 157 CA THR A 14 33.537 -9.713 8.310 1.00 0.00 C ATOM 158 C THR A 14 32.855 -9.332 9.619 1.00 0.00 C ATOM 159 O THR A 14 31.938 -10.016 10.074 1.00 0.00 O ATOM 160 CB THR A 14 32.557 -9.477 7.146 1.00 0.00 C ATOM 161 OG1 THR A 14 32.966 -10.231 6.000 1.00 0.00 O ATOM 162 CG2 THR A 14 32.487 -8.000 6.788 1.00 0.00 C ATOM 0 H THR A 14 33.408 -11.750 7.834 1.00 0.00 H new ATOM 0 HA THR A 14 34.417 -9.087 8.167 1.00 0.00 H new ATOM 0 HB THR A 14 31.567 -9.806 7.462 1.00 0.00 H new ATOM 0 HG1 THR A 14 32.336 -10.077 5.265 1.00 0.00 H new ATOM 0 HG21 THR A 14 31.789 -7.858 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 14 32.147 -7.432 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 14 33.476 -7.651 6.490 1.00 0.00 H new ATOM 170 N ILE A 15 33.308 -8.236 10.219 1.00 0.00 N ATOM 171 CA ILE A 15 32.739 -7.764 11.475 1.00 0.00 C ATOM 172 C ILE A 15 32.121 -6.379 11.313 1.00 0.00 C ATOM 173 O ILE A 15 32.183 -5.550 12.220 1.00 0.00 O ATOM 174 CB ILE A 15 33.801 -7.711 12.590 1.00 0.00 C ATOM 175 CG1 ILE A 15 34.452 -9.084 12.769 1.00 0.00 C ATOM 176 CG2 ILE A 15 33.176 -7.241 13.895 1.00 0.00 C ATOM 177 CD1 ILE A 15 35.691 -9.057 13.636 1.00 0.00 C ATOM 0 H ILE A 15 34.067 -7.659 9.856 1.00 0.00 H new ATOM 0 HA ILE A 15 31.963 -8.476 11.756 1.00 0.00 H new ATOM 0 HB ILE A 15 34.573 -6.998 12.302 1.00 0.00 H new ATOM 0 HG12 ILE A 15 33.725 -9.767 13.209 1.00 0.00 H new ATOM 0 HG13 ILE A 15 34.713 -9.484 11.789 1.00 0.00 H new ATOM 0 HG21 ILE A 15 33.939 -7.209 14.673 1.00 0.00 H new ATOM 0 HG22 ILE A 15 32.755 -6.245 13.759 1.00 0.00 H new ATOM 0 HG23 ILE A 15 32.386 -7.932 14.190 1.00 0.00 H new ATOM 0 HD11 ILE A 15 36.099 -10.064 13.719 1.00 0.00 H new ATOM 0 HD12 ILE A 15 36.435 -8.400 13.186 1.00 0.00 H new ATOM 0 HD13 ILE A 15 35.433 -8.687 14.628 1.00 0.00 H new ATOM 189 N ARG A 16 31.523 -6.137 10.150 1.00 0.00 N ATOM 190 CA ARG A 16 30.892 -4.854 9.868 1.00 0.00 C ATOM 191 C ARG A 16 29.374 -4.955 9.991 1.00 0.00 C ATOM 192 O ARG A 16 28.809 -6.046 9.934 1.00 0.00 O ATOM 193 CB ARG A 16 31.270 -4.372 8.466 1.00 0.00 C ATOM 194 CG ARG A 16 32.769 -4.237 8.252 1.00 0.00 C ATOM 195 CD ARG A 16 33.083 -3.346 7.061 1.00 0.00 C ATOM 196 NE ARG A 16 34.359 -2.654 7.217 1.00 0.00 N ATOM 197 CZ ARG A 16 34.912 -1.909 6.266 1.00 0.00 C ATOM 198 NH1 ARG A 16 34.303 -1.760 5.098 1.00 0.00 N ATOM 199 NH2 ARG A 16 36.076 -1.310 6.484 1.00 0.00 N ATOM 0 H ARG A 16 31.463 -6.813 9.389 1.00 0.00 H new ATOM 0 HA ARG A 16 31.251 -4.132 10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 16 30.868 -5.069 7.731 1.00 0.00 H new ATOM 0 HB3 ARG A 16 30.797 -3.407 8.283 1.00 0.00 H new ATOM 0 HG2 ARG A 16 33.230 -3.823 9.149 1.00 0.00 H new ATOM 0 HG3 ARG A 16 33.206 -5.223 8.095 1.00 0.00 H new ATOM 0 HD2 ARG A 16 33.106 -3.949 6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 16 32.286 -2.613 6.936 1.00 0.00 H new ATOM 0 HE ARG A 16 34.853 -2.748 8.105 1.00 0.00 H new ATOM 0 HH11 ARG A 16 33.408 -2.218 4.928 1.00 0.00 H new ATOM 0 HH12 ARG A 16 34.730 -1.187 4.370 1.00 0.00 H new ATOM 0 HH21 ARG A 16 36.547 -1.421 7.382 1.00 0.00 H new ATOM 0 HH22 ARG A 16 36.500 -0.738 5.753 1.00 0.00 H new ATOM 213 N GLU A 17 28.722 -3.809 10.161 1.00 0.00 N ATOM 214 CA GLU A 17 27.270 -3.770 10.293 1.00 0.00 C ATOM 215 C GLU A 17 26.665 -2.736 9.348 1.00 0.00 C ATOM 216 O GLU A 17 27.327 -1.772 8.960 1.00 0.00 O ATOM 217 CB GLU A 17 26.876 -3.450 11.736 1.00 0.00 C ATOM 218 CG GLU A 17 27.264 -4.534 12.728 1.00 0.00 C ATOM 219 CD GLU A 17 28.766 -4.689 12.863 1.00 0.00 C ATOM 220 OE1 GLU A 17 29.452 -3.666 13.068 1.00 0.00 O ATOM 221 OE2 GLU A 17 29.256 -5.834 12.765 1.00 0.00 O ATOM 0 H GLU A 17 29.175 -2.897 10.211 1.00 0.00 H new ATOM 0 HA GLU A 17 26.880 -4.752 10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 17 27.346 -2.513 12.033 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.798 -3.295 11.783 1.00 0.00 H new ATOM 0 HG2 GLU A 17 26.837 -4.299 13.703 1.00 0.00 H new ATOM 0 HG3 GLU A 17 26.831 -5.483 12.411 1.00 0.00 H new ATOM 228 N ILE A 18 25.405 -2.944 8.981 1.00 0.00 N ATOM 229 CA ILE A 18 24.711 -2.030 8.082 1.00 0.00 C ATOM 230 C ILE A 18 24.743 -0.602 8.617 1.00 0.00 C ATOM 231 O ILE A 18 24.560 -0.372 9.812 1.00 0.00 O ATOM 232 CB ILE A 18 23.246 -2.454 7.870 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.178 -3.885 7.334 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.549 -1.493 6.919 1.00 0.00 C ATOM 235 CD1 ILE A 18 21.805 -4.509 7.449 1.00 0.00 C ATOM 0 H ILE A 18 24.844 -3.737 9.292 1.00 0.00 H new ATOM 0 HA ILE A 18 25.234 -2.069 7.127 1.00 0.00 H new ATOM 0 HB ILE A 18 22.732 -2.421 8.830 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.483 -3.887 6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 18 23.895 -4.502 7.876 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.514 -1.806 6.779 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.570 -0.487 7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 18 23.062 -1.496 5.957 1.00 0.00 H new ATOM 0 HD11 ILE A 18 21.832 -5.523 7.050 1.00 0.00 H new ATOM 0 HD12 ILE A 18 21.506 -4.539 8.497 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.087 -3.915 6.884 1.00 0.00 H new ATOM 247 N ALA A 19 24.976 0.354 7.724 1.00 0.00 N ATOM 248 CA ALA A 19 25.028 1.760 8.105 1.00 0.00 C ATOM 249 C ALA A 19 23.777 2.166 8.875 1.00 0.00 C ATOM 250 O ALA A 19 23.863 2.801 9.926 1.00 0.00 O ATOM 251 CB ALA A 19 25.199 2.635 6.872 1.00 0.00 C ATOM 0 H ALA A 19 25.132 0.180 6.731 1.00 0.00 H new ATOM 0 HA ALA A 19 25.888 1.902 8.760 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.236 3.682 7.171 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.126 2.370 6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.358 2.480 6.197 1.00 0.00 H new ATOM 257 N GLU A 20 22.615 1.797 8.345 1.00 0.00 N ATOM 258 CA GLU A 20 21.346 2.125 8.984 1.00 0.00 C ATOM 259 C GLU A 20 20.287 1.074 8.663 1.00 0.00 C ATOM 260 O GLU A 20 20.095 0.681 7.513 1.00 0.00 O ATOM 261 CB GLU A 20 20.864 3.505 8.531 1.00 0.00 C ATOM 262 CG GLU A 20 19.903 4.165 9.506 1.00 0.00 C ATOM 263 CD GLU A 20 20.599 4.682 10.751 1.00 0.00 C ATOM 264 OE1 GLU A 20 21.367 5.659 10.637 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.374 4.109 11.837 1.00 0.00 O ATOM 0 H GLU A 20 22.526 1.271 7.475 1.00 0.00 H new ATOM 0 HA GLU A 20 21.504 2.139 10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.728 4.154 8.390 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.376 3.410 7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.396 4.991 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.135 3.448 9.795 1.00 0.00 H new ATOM 272 N PRO A 21 19.582 0.608 9.705 1.00 0.00 N ATOM 273 CA PRO A 21 18.531 -0.404 9.560 1.00 0.00 C ATOM 274 C PRO A 21 17.299 0.139 8.845 1.00 0.00 C ATOM 275 O PRO A 21 17.060 1.346 8.798 1.00 0.00 O ATOM 276 CB PRO A 21 18.191 -0.771 11.007 1.00 0.00 C ATOM 277 CG PRO A 21 18.569 0.431 11.802 1.00 0.00 C ATOM 278 CD PRO A 21 19.757 1.032 11.104 1.00 0.00 C ATOM 0 HA PRO A 21 18.860 -1.250 8.957 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.132 -1.002 11.118 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.745 -1.651 11.333 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.744 1.142 11.851 1.00 0.00 H new ATOM 0 HG3 PRO A 21 18.816 0.158 12.828 1.00 0.00 H new ATOM 0 HD2 PRO A 21 19.770 2.118 11.196 1.00 0.00 H new ATOM 0 HD3 PRO A 21 20.695 0.666 11.520 1.00 0.00 H new ATOM 286 N PRO A 22 16.497 -0.772 8.273 1.00 0.00 N ATOM 287 CA PRO A 22 15.275 -0.407 7.550 1.00 0.00 C ATOM 288 C PRO A 22 14.184 0.114 8.480 1.00 0.00 C ATOM 289 O PRO A 22 13.690 -0.612 9.343 1.00 0.00 O ATOM 290 CB PRO A 22 14.840 -1.724 6.902 1.00 0.00 C ATOM 291 CG PRO A 22 15.424 -2.784 7.770 1.00 0.00 C ATOM 292 CD PRO A 22 16.720 -2.227 8.290 1.00 0.00 C ATOM 0 HA PRO A 22 15.449 0.399 6.837 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.754 -1.803 6.857 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.208 -1.803 5.879 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.750 -3.033 8.589 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.592 -3.701 7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 22 16.938 -2.588 9.295 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.562 -2.512 7.659 1.00 0.00 H new ATOM 300 N LYS A 23 13.813 1.377 8.299 1.00 0.00 N ATOM 301 CA LYS A 23 12.779 1.996 9.121 1.00 0.00 C ATOM 302 C LYS A 23 11.659 2.560 8.252 1.00 0.00 C ATOM 303 O LYS A 23 11.798 3.632 7.663 1.00 0.00 O ATOM 304 CB LYS A 23 13.381 3.110 9.981 1.00 0.00 C ATOM 305 CG LYS A 23 12.612 3.370 11.264 1.00 0.00 C ATOM 306 CD LYS A 23 12.936 2.334 12.328 1.00 0.00 C ATOM 307 CE LYS A 23 14.222 2.675 13.065 1.00 0.00 C ATOM 308 NZ LYS A 23 14.279 2.034 14.407 1.00 0.00 N ATOM 0 H LYS A 23 14.213 1.992 7.590 1.00 0.00 H new ATOM 0 HA LYS A 23 12.360 1.229 9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.410 2.850 10.230 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.418 4.029 9.396 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.853 4.365 11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.542 3.358 11.057 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.113 2.272 13.040 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.031 1.352 11.864 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.077 2.352 12.472 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.301 3.756 13.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 15.171 2.291 14.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.477 2.362 14.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.229 1.001 14.301 1.00 0.00 H new ATOM 322 N ILE A 24 10.550 1.831 8.179 1.00 0.00 N ATOM 323 CA ILE A 24 9.406 2.261 7.385 1.00 0.00 C ATOM 324 C ILE A 24 8.543 3.253 8.156 1.00 0.00 C ATOM 325 O ILE A 24 7.785 2.870 9.048 1.00 0.00 O ATOM 326 CB ILE A 24 8.536 1.064 6.958 1.00 0.00 C ATOM 327 CG1 ILE A 24 9.305 0.167 5.985 1.00 0.00 C ATOM 328 CG2 ILE A 24 7.239 1.550 6.327 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.578 -1.113 5.640 1.00 0.00 C ATOM 0 H ILE A 24 10.420 0.941 8.660 1.00 0.00 H new ATOM 0 HA ILE A 24 9.805 2.746 6.494 1.00 0.00 H new ATOM 0 HB ILE A 24 8.289 0.479 7.844 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.500 0.723 5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.273 -0.081 6.420 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.635 0.692 6.030 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.686 2.151 7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.466 2.155 5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.182 -1.699 4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.406 -1.690 6.549 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.621 -0.874 5.176 1.00 0.00 H new ATOM 341 N ARG A 25 8.661 4.529 7.805 1.00 0.00 N ATOM 342 CA ARG A 25 7.890 5.577 8.464 1.00 0.00 C ATOM 343 C ARG A 25 6.482 5.663 7.884 1.00 0.00 C ATOM 344 O ARG A 25 6.303 5.718 6.666 1.00 0.00 O ATOM 345 CB ARG A 25 8.597 6.927 8.319 1.00 0.00 C ATOM 346 CG ARG A 25 9.706 7.146 9.335 1.00 0.00 C ATOM 347 CD ARG A 25 10.932 6.306 9.011 1.00 0.00 C ATOM 348 NE ARG A 25 12.110 6.749 9.752 1.00 0.00 N ATOM 349 CZ ARG A 25 12.251 6.600 11.065 1.00 0.00 C ATOM 350 NH1 ARG A 25 11.292 6.023 11.777 1.00 0.00 N ATOM 351 NH2 ARG A 25 13.352 7.028 11.668 1.00 0.00 N ATOM 0 H ARG A 25 9.283 4.862 7.068 1.00 0.00 H new ATOM 0 HA ARG A 25 7.813 5.326 9.522 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.015 7.003 7.315 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.862 7.725 8.419 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.981 8.201 9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.343 6.893 10.331 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.728 5.261 9.245 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.135 6.359 7.941 1.00 0.00 H new ATOM 0 HE ARG A 25 12.866 7.197 9.234 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.444 5.692 11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.403 5.910 12.785 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.092 7.472 11.124 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.459 6.913 12.676 1.00 0.00 H new ATOM 365 N LEU A 26 5.485 5.675 8.762 1.00 0.00 N ATOM 366 CA LEU A 26 4.092 5.753 8.337 1.00 0.00 C ATOM 367 C LEU A 26 3.451 7.054 8.810 1.00 0.00 C ATOM 368 O LEU A 26 3.658 7.503 9.939 1.00 0.00 O ATOM 369 CB LEU A 26 3.305 4.558 8.878 1.00 0.00 C ATOM 370 CG LEU A 26 3.512 3.232 8.146 1.00 0.00 C ATOM 371 CD1 LEU A 26 3.170 2.061 9.054 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.673 3.187 6.877 1.00 0.00 C ATOM 0 H LEU A 26 5.616 5.632 9.773 1.00 0.00 H new ATOM 0 HA LEU A 26 4.069 5.732 7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.571 4.417 9.926 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.244 4.804 8.849 1.00 0.00 H new ATOM 0 HG LEU A 26 4.563 3.154 7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.324 1.126 8.515 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.813 2.083 9.934 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.128 2.134 9.365 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.833 2.236 6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.619 3.288 7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.966 4.004 6.218 1.00 0.00 H new ATOM 384 N PRO A 27 2.653 7.676 7.930 1.00 0.00 N ATOM 385 CA PRO A 27 1.963 8.933 8.236 1.00 0.00 C ATOM 386 C PRO A 27 0.851 8.748 9.263 1.00 0.00 C ATOM 387 O PRO A 27 0.728 7.687 9.875 1.00 0.00 O ATOM 388 CB PRO A 27 1.379 9.355 6.885 1.00 0.00 C ATOM 389 CG PRO A 27 1.229 8.083 6.123 1.00 0.00 C ATOM 390 CD PRO A 27 2.361 7.199 6.568 1.00 0.00 C ATOM 0 HA PRO A 27 2.635 9.671 8.674 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.420 9.858 7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.040 10.051 6.368 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.265 7.616 6.328 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.274 8.264 5.049 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.075 6.147 6.564 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.228 7.296 5.914 1.00 0.00 H new ATOM 398 N ARG A 28 0.044 9.788 9.447 1.00 0.00 N ATOM 399 CA ARG A 28 -1.057 9.740 10.401 1.00 0.00 C ATOM 400 C ARG A 28 -2.387 9.519 9.686 1.00 0.00 C ATOM 401 O ARG A 28 -3.436 9.411 10.322 1.00 0.00 O ATOM 402 CB ARG A 28 -1.113 11.035 11.214 1.00 0.00 C ATOM 403 CG ARG A 28 -2.049 10.965 12.409 1.00 0.00 C ATOM 404 CD ARG A 28 -2.127 12.298 13.135 1.00 0.00 C ATOM 405 NE ARG A 28 -2.571 12.144 14.518 1.00 0.00 N ATOM 406 CZ ARG A 28 -2.464 13.099 15.435 1.00 0.00 C ATOM 407 NH1 ARG A 28 -1.930 14.271 15.118 1.00 0.00 N ATOM 408 NH2 ARG A 28 -2.891 12.883 16.673 1.00 0.00 N ATOM 0 H ARG A 28 0.132 10.673 8.948 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.883 8.902 11.076 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.110 11.278 11.563 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.430 11.849 10.562 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.045 10.672 12.076 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.704 10.194 13.098 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.148 12.777 13.120 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.813 12.959 12.606 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.986 11.254 14.795 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.600 14.441 14.168 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.849 15.002 15.824 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.302 11.983 16.921 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.808 13.617 17.376 1.00 0.00 H new ATOM 422 N HIS A 29 -2.335 9.452 8.359 1.00 0.00 N ATOM 423 CA HIS A 29 -3.536 9.244 7.557 1.00 0.00 C ATOM 424 C HIS A 29 -3.621 7.800 7.072 1.00 0.00 C ATOM 425 O HIS A 29 -4.637 7.378 6.519 1.00 0.00 O ATOM 426 CB HIS A 29 -3.548 10.197 6.361 1.00 0.00 C ATOM 427 CG HIS A 29 -2.319 10.106 5.510 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.242 10.955 5.650 1.00 0.00 N ATOM 429 CD2 HIS A 29 -1.999 9.257 4.505 1.00 0.00 C ATOM 430 CE1 HIS A 29 -0.313 10.635 4.767 1.00 0.00 C ATOM 431 NE2 HIS A 29 -0.748 9.607 4.060 1.00 0.00 N ATOM 0 H HIS A 29 -1.475 9.539 7.817 1.00 0.00 H new ATOM 0 HA HIS A 29 -4.403 9.450 8.185 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.422 9.984 5.746 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.654 11.220 6.723 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -2.613 8.454 4.124 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.639 11.129 4.644 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -0.237 9.148 3.306 1.00 0.00 H new ATOM 440 N LEU A 30 -2.547 7.046 7.282 1.00 0.00 N ATOM 441 CA LEU A 30 -2.500 5.649 6.866 1.00 0.00 C ATOM 442 C LEU A 30 -2.572 4.718 8.072 1.00 0.00 C ATOM 443 O LEU A 30 -2.601 3.496 7.925 1.00 0.00 O ATOM 444 CB LEU A 30 -1.221 5.375 6.073 1.00 0.00 C ATOM 445 CG LEU A 30 -1.156 5.985 4.672 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.095 5.519 3.944 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.403 5.626 3.876 1.00 0.00 C ATOM 0 H LEU A 30 -1.697 7.379 7.738 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.364 5.457 6.230 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.374 5.747 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.097 4.296 5.984 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.111 7.070 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.124 5.963 2.949 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.978 5.826 4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.081 4.433 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.340 6.068 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.478 4.542 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.285 6.010 4.389 1.00 0.00 H new ATOM 459 N ARG A 31 -2.605 5.305 9.264 1.00 0.00 N ATOM 460 CA ARG A 31 -2.675 4.528 10.496 1.00 0.00 C ATOM 461 C ARG A 31 -4.016 3.810 10.610 1.00 0.00 C ATOM 462 O ARG A 31 -4.074 2.642 10.993 1.00 0.00 O ATOM 463 CB ARG A 31 -2.467 5.437 11.709 1.00 0.00 C ATOM 464 CG ARG A 31 -1.020 5.851 11.919 1.00 0.00 C ATOM 465 CD ARG A 31 -0.817 6.497 13.280 1.00 0.00 C ATOM 466 NE ARG A 31 -0.643 5.504 14.337 1.00 0.00 N ATOM 467 CZ ARG A 31 -0.606 5.806 15.630 1.00 0.00 C ATOM 468 NH1 ARG A 31 -0.731 7.066 16.024 1.00 0.00 N ATOM 469 NH2 ARG A 31 -0.445 4.846 16.532 1.00 0.00 N ATOM 0 H ARG A 31 -2.584 6.315 9.403 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.883 3.780 10.470 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.078 6.332 11.591 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.822 4.923 12.602 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.374 4.978 11.830 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.723 6.549 11.136 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.057 7.147 13.246 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.675 7.128 13.513 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.545 4.525 14.068 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.856 7.806 15.333 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.702 7.295 17.018 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.350 3.876 16.233 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.417 5.079 17.525 1.00 0.00 H new ATOM 483 N GLN A 32 -5.091 4.516 10.274 1.00 0.00 N ATOM 484 CA GLN A 32 -6.431 3.946 10.340 1.00 0.00 C ATOM 485 C GLN A 32 -6.865 3.416 8.977 1.00 0.00 C ATOM 486 O GLN A 32 -6.899 2.206 8.751 1.00 0.00 O ATOM 487 CB GLN A 32 -7.430 4.993 10.835 1.00 0.00 C ATOM 488 CG GLN A 32 -7.157 5.474 12.251 1.00 0.00 C ATOM 489 CD GLN A 32 -8.300 6.290 12.821 1.00 0.00 C ATOM 490 OE1 GLN A 32 -8.971 7.028 12.099 1.00 0.00 O ATOM 491 NE2 GLN A 32 -8.527 6.162 14.123 1.00 0.00 N ATOM 0 H GLN A 32 -5.060 5.484 9.953 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.410 3.114 11.043 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.411 5.848 10.160 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.435 4.574 10.790 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.974 4.613 12.894 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.248 6.075 12.257 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.946 5.539 14.683 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.283 6.687 14.563 1.00 0.00 H new ATOM 500 N THR A 33 -7.196 4.330 8.070 1.00 0.00 N ATOM 501 CA THR A 33 -7.629 3.955 6.730 1.00 0.00 C ATOM 502 C THR A 33 -7.596 5.152 5.787 1.00 0.00 C ATOM 503 O THR A 33 -8.035 6.247 6.142 1.00 0.00 O ATOM 504 CB THR A 33 -9.051 3.365 6.744 1.00 0.00 C ATOM 505 OG1 THR A 33 -9.088 2.194 7.566 1.00 0.00 O ATOM 506 CG2 THR A 33 -9.506 3.016 5.335 1.00 0.00 C ATOM 0 H THR A 33 -7.172 5.336 8.240 1.00 0.00 H new ATOM 0 HA THR A 33 -6.933 3.196 6.373 1.00 0.00 H new ATOM 0 HB THR A 33 -9.728 4.116 7.152 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.182 1.831 7.660 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.513 2.601 5.370 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.505 3.915 4.719 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.826 2.281 4.904 1.00 0.00 H new ATOM 514 N TYR A 34 -7.075 4.938 4.584 1.00 0.00 N ATOM 515 CA TYR A 34 -6.984 6.001 3.590 1.00 0.00 C ATOM 516 C TYR A 34 -8.300 6.153 2.833 1.00 0.00 C ATOM 517 O TYR A 34 -8.570 5.418 1.883 1.00 0.00 O ATOM 518 CB TYR A 34 -5.848 5.712 2.607 1.00 0.00 C ATOM 519 CG TYR A 34 -5.328 6.946 1.904 1.00 0.00 C ATOM 520 CD1 TYR A 34 -4.967 8.079 2.623 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.198 6.979 0.521 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.492 9.208 1.985 1.00 0.00 C ATOM 523 CE2 TYR A 34 -4.722 8.103 -0.125 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.371 9.216 0.611 1.00 0.00 C ATOM 525 OH TYR A 34 -3.898 10.338 -0.029 1.00 0.00 O ATOM 0 H TYR A 34 -6.709 4.038 4.273 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.776 6.935 4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.027 5.236 3.143 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.197 4.999 1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.059 8.077 3.699 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.474 6.111 -0.059 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.217 10.080 2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.625 8.111 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.069 10.119 -0.504 1.00 0.00 H new ATOM 535 N ILE A 35 -9.113 7.112 3.261 1.00 0.00 N ATOM 536 CA ILE A 35 -10.400 7.363 2.624 1.00 0.00 C ATOM 537 C ILE A 35 -10.238 8.234 1.383 1.00 0.00 C ATOM 538 O ILE A 35 -9.756 9.363 1.463 1.00 0.00 O ATOM 539 CB ILE A 35 -11.384 8.046 3.592 1.00 0.00 C ATOM 540 CG1 ILE A 35 -11.538 7.215 4.867 1.00 0.00 C ATOM 541 CG2 ILE A 35 -12.733 8.249 2.919 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.107 5.834 4.624 1.00 0.00 C ATOM 0 H ILE A 35 -8.904 7.728 4.046 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.803 6.393 2.334 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.985 9.023 3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.565 7.118 5.348 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.186 7.749 5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.418 8.733 3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.609 8.877 2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.140 7.283 2.622 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.188 5.302 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.095 5.922 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.449 5.282 3.953 1.00 0.00 H new ATOM 554 N ARG A 36 -10.646 7.701 0.236 1.00 0.00 N ATOM 555 CA ARG A 36 -10.547 8.430 -1.023 1.00 0.00 C ATOM 556 C ARG A 36 -11.705 8.073 -1.951 1.00 0.00 C ATOM 557 O ARG A 36 -12.153 6.927 -1.990 1.00 0.00 O ATOM 558 CB ARG A 36 -9.216 8.124 -1.711 1.00 0.00 C ATOM 559 CG ARG A 36 -8.085 9.048 -1.288 1.00 0.00 C ATOM 560 CD ARG A 36 -8.136 10.369 -2.038 1.00 0.00 C ATOM 561 NE ARG A 36 -7.423 11.429 -1.329 1.00 0.00 N ATOM 562 CZ ARG A 36 -7.238 12.648 -1.823 1.00 0.00 C ATOM 563 NH1 ARG A 36 -7.710 12.960 -3.022 1.00 0.00 N ATOM 564 NH2 ARG A 36 -6.579 13.558 -1.117 1.00 0.00 N ATOM 0 H ARG A 36 -11.048 6.767 0.152 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.597 9.496 -0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.933 7.094 -1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.349 8.197 -2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.147 9.234 -0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.127 8.561 -1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.701 10.240 -3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.175 10.664 -2.182 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.047 11.222 -0.404 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.217 12.263 -3.568 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.566 13.897 -3.399 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.214 13.322 -0.194 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.437 14.494 -1.497 1.00 0.00 H new ATOM 578 N LYS A 37 -12.186 9.062 -2.696 1.00 0.00 N ATOM 579 CA LYS A 37 -13.291 8.854 -3.624 1.00 0.00 C ATOM 580 C LYS A 37 -12.795 8.249 -4.934 1.00 0.00 C ATOM 581 O LYS A 37 -11.671 8.509 -5.362 1.00 0.00 O ATOM 582 CB LYS A 37 -14.008 10.177 -3.901 1.00 0.00 C ATOM 583 CG LYS A 37 -14.976 10.585 -2.803 1.00 0.00 C ATOM 584 CD LYS A 37 -15.876 11.726 -3.249 1.00 0.00 C ATOM 585 CE LYS A 37 -15.237 13.079 -2.976 1.00 0.00 C ATOM 586 NZ LYS A 37 -15.186 13.384 -1.520 1.00 0.00 N ATOM 0 H LYS A 37 -11.827 10.017 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.992 8.157 -3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.265 10.964 -4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.552 10.096 -4.842 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.587 9.728 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.417 10.886 -1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.086 11.630 -4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.832 11.662 -2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.227 13.093 -3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.800 13.857 -3.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.071 14.409 -1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.069 13.072 -1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.382 12.885 -1.089 1.00 0.00 H new ATOM 600 N VAL A 38 -13.642 7.442 -5.566 1.00 0.00 N ATOM 601 CA VAL A 38 -13.290 6.803 -6.828 1.00 0.00 C ATOM 602 C VAL A 38 -12.972 7.840 -7.899 1.00 0.00 C ATOM 603 O VAL A 38 -13.408 8.987 -7.817 1.00 0.00 O ATOM 604 CB VAL A 38 -14.426 5.893 -7.332 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.880 4.946 -6.231 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.591 6.727 -7.842 1.00 0.00 C ATOM 0 H VAL A 38 -14.576 7.216 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.404 6.196 -6.639 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.047 5.295 -8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.683 4.311 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.042 4.324 -5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.241 5.524 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.384 6.067 -8.194 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -15.971 7.353 -7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.254 7.359 -8.663 1.00 0.00 H new ATOM 616 N GLY A 39 -12.207 7.427 -8.906 1.00 0.00 N ATOM 617 CA GLY A 39 -11.843 8.332 -9.980 1.00 0.00 C ATOM 618 C GLY A 39 -10.721 9.274 -9.590 1.00 0.00 C ATOM 619 O GLY A 39 -9.743 9.420 -10.321 1.00 0.00 O ATOM 0 H GLY A 39 -11.833 6.482 -8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.540 7.753 -10.852 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.717 8.914 -10.272 1.00 0.00 H new ATOM 623 N GLU A 40 -10.864 9.915 -8.434 1.00 0.00 N ATOM 624 CA GLU A 40 -9.855 10.850 -7.950 1.00 0.00 C ATOM 625 C GLU A 40 -8.464 10.225 -8.005 1.00 0.00 C ATOM 626 O GLU A 40 -8.299 9.030 -7.762 1.00 0.00 O ATOM 627 CB GLU A 40 -10.175 11.284 -6.518 1.00 0.00 C ATOM 628 CG GLU A 40 -11.083 12.500 -6.439 1.00 0.00 C ATOM 629 CD GLU A 40 -10.370 13.785 -6.811 1.00 0.00 C ATOM 630 OE1 GLU A 40 -9.427 13.725 -7.628 1.00 0.00 O ATOM 631 OE2 GLU A 40 -10.754 14.851 -6.286 1.00 0.00 O ATOM 0 H GLU A 40 -11.668 9.804 -7.816 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.867 11.726 -8.599 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.647 10.454 -5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.243 11.502 -5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.935 12.356 -7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.479 12.588 -5.427 1.00 0.00 H new ATOM 638 N GLN A 41 -7.467 11.043 -8.327 1.00 0.00 N ATOM 639 CA GLN A 41 -6.090 10.571 -8.415 1.00 0.00 C ATOM 640 C GLN A 41 -5.544 10.222 -7.035 1.00 0.00 C ATOM 641 O GLN A 41 -5.582 11.041 -6.115 1.00 0.00 O ATOM 642 CB GLN A 41 -5.206 11.631 -9.073 1.00 0.00 C ATOM 643 CG GLN A 41 -5.304 11.650 -10.590 1.00 0.00 C ATOM 644 CD GLN A 41 -4.460 12.743 -11.217 1.00 0.00 C ATOM 645 OE1 GLN A 41 -3.635 13.366 -10.548 1.00 0.00 O ATOM 646 NE2 GLN A 41 -4.664 12.981 -12.507 1.00 0.00 N ATOM 0 H GLN A 41 -7.587 12.035 -8.531 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.081 9.669 -9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.482 12.612 -8.687 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.169 11.456 -8.787 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.989 10.683 -10.983 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.345 11.788 -10.881 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.358 12.440 -13.022 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.126 13.705 -12.983 1.00 0.00 H new ATOM 655 N LEU A 42 -5.038 9.002 -6.895 1.00 0.00 N ATOM 656 CA LEU A 42 -4.484 8.544 -5.625 1.00 0.00 C ATOM 657 C LEU A 42 -3.067 9.071 -5.428 1.00 0.00 C ATOM 658 O LEU A 42 -2.293 9.170 -6.379 1.00 0.00 O ATOM 659 CB LEU A 42 -4.485 7.016 -5.568 1.00 0.00 C ATOM 660 CG LEU A 42 -5.851 6.351 -5.389 1.00 0.00 C ATOM 661 CD1 LEU A 42 -5.733 4.842 -5.527 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.452 6.721 -4.041 1.00 0.00 C ATOM 0 H LEU A 42 -5.000 8.312 -7.645 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.111 8.932 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.037 6.638 -6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.840 6.703 -4.747 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.516 6.715 -6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.715 4.387 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.348 4.596 -6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.052 4.459 -4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.423 6.239 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.789 6.387 -3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.575 7.802 -3.982 1.00 0.00 H new ATOM 674 N ASN A 43 -2.733 9.405 -4.186 1.00 0.00 N ATOM 675 CA ASN A 43 -1.407 9.920 -3.863 1.00 0.00 C ATOM 676 C ASN A 43 -0.999 9.525 -2.447 1.00 0.00 C ATOM 677 O ASN A 43 -1.496 10.082 -1.467 1.00 0.00 O ATOM 678 CB ASN A 43 -1.380 11.444 -4.007 1.00 0.00 C ATOM 679 CG ASN A 43 -0.299 12.085 -3.158 1.00 0.00 C ATOM 680 OD1 ASN A 43 -0.555 12.532 -2.040 1.00 0.00 O ATOM 681 ND2 ASN A 43 0.918 12.133 -3.688 1.00 0.00 N ATOM 0 H ASN A 43 -3.362 9.328 -3.387 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.695 9.482 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.219 11.705 -5.053 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.351 11.851 -3.723 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.686 12.553 -3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.084 11.750 -4.619 1.00 0.00 H new ATOM 688 N LEU A 44 -0.092 8.559 -2.347 1.00 0.00 N ATOM 689 CA LEU A 44 0.384 8.088 -1.050 1.00 0.00 C ATOM 690 C LEU A 44 1.886 8.309 -0.909 1.00 0.00 C ATOM 691 O LEU A 44 2.680 7.757 -1.671 1.00 0.00 O ATOM 692 CB LEU A 44 0.055 6.605 -0.873 1.00 0.00 C ATOM 693 CG LEU A 44 -1.426 6.259 -0.714 1.00 0.00 C ATOM 694 CD1 LEU A 44 -1.624 4.752 -0.706 1.00 0.00 C ATOM 695 CD2 LEU A 44 -1.984 6.879 0.559 1.00 0.00 C ATOM 0 H LEU A 44 0.328 8.087 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.123 8.661 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.444 6.062 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.589 6.237 0.003 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.969 6.671 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.684 4.525 -0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.262 4.332 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.068 4.316 0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.039 6.623 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.437 6.496 1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.877 7.963 0.513 1.00 0.00 H new ATOM 707 N VAL A 45 2.271 9.118 0.073 1.00 0.00 N ATOM 708 CA VAL A 45 3.678 9.409 0.317 1.00 0.00 C ATOM 709 C VAL A 45 4.148 8.792 1.630 1.00 0.00 C ATOM 710 O VAL A 45 4.029 9.401 2.693 1.00 0.00 O ATOM 711 CB VAL A 45 3.939 10.927 0.354 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.407 11.209 0.634 1.00 0.00 C ATOM 713 CG2 VAL A 45 3.503 11.574 -0.951 1.00 0.00 C ATOM 0 H VAL A 45 1.627 9.584 0.713 1.00 0.00 H new ATOM 0 HA VAL A 45 4.239 8.971 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 45 3.350 11.360 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.573 12.286 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.683 10.779 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.019 10.764 -0.151 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.695 12.646 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.064 11.139 -1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.438 11.402 -1.104 1.00 0.00 H new ATOM 723 N VAL A 46 4.682 7.577 1.548 1.00 0.00 N ATOM 724 CA VAL A 46 5.172 6.877 2.729 1.00 0.00 C ATOM 725 C VAL A 46 6.694 6.925 2.805 1.00 0.00 C ATOM 726 O VAL A 46 7.398 6.187 2.117 1.00 0.00 O ATOM 727 CB VAL A 46 4.714 5.406 2.739 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.010 4.764 4.086 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.234 5.307 2.405 1.00 0.00 C ATOM 0 H VAL A 46 4.786 7.058 0.676 1.00 0.00 H new ATOM 0 HA VAL A 46 4.752 7.387 3.596 1.00 0.00 H new ATOM 0 HB VAL A 46 5.272 4.864 1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.680 3.725 4.074 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.082 4.802 4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.481 5.304 4.871 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.928 4.261 2.417 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.656 5.863 3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.056 5.726 1.415 1.00 0.00 H new ATOM 739 N PRO A 47 7.215 7.814 3.663 1.00 0.00 N ATOM 740 CA PRO A 47 8.660 7.980 3.851 1.00 0.00 C ATOM 741 C PRO A 47 9.294 6.784 4.553 1.00 0.00 C ATOM 742 O PRO A 47 8.601 5.974 5.169 1.00 0.00 O ATOM 743 CB PRO A 47 8.763 9.230 4.728 1.00 0.00 C ATOM 744 CG PRO A 47 7.465 9.290 5.457 1.00 0.00 C ATOM 745 CD PRO A 47 6.435 8.727 4.516 1.00 0.00 C ATOM 0 HA PRO A 47 9.187 8.065 2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.603 9.160 5.420 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.920 10.125 4.125 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.508 8.711 6.380 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.221 10.315 5.735 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.646 8.200 5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.954 9.511 3.931 1.00 0.00 H new ATOM 753 N PHE A 48 10.615 6.679 4.456 1.00 0.00 N ATOM 754 CA PHE A 48 11.343 5.580 5.082 1.00 0.00 C ATOM 755 C PHE A 48 12.839 5.877 5.130 1.00 0.00 C ATOM 756 O PHE A 48 13.369 6.585 4.275 1.00 0.00 O ATOM 757 CB PHE A 48 11.094 4.277 4.321 1.00 0.00 C ATOM 758 CG PHE A 48 11.632 4.289 2.919 1.00 0.00 C ATOM 759 CD1 PHE A 48 12.984 4.099 2.680 1.00 0.00 C ATOM 760 CD2 PHE A 48 10.787 4.489 1.840 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.482 4.111 1.391 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.279 4.501 0.548 1.00 0.00 C ATOM 763 CZ PHE A 48 12.628 4.311 0.324 1.00 0.00 C ATOM 0 H PHE A 48 11.204 7.341 3.950 1.00 0.00 H new ATOM 0 HA PHE A 48 10.979 5.471 6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.550 3.453 4.869 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.022 4.084 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 48 13.656 3.940 3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.731 4.637 2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.538 3.964 1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.609 4.659 -0.284 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.015 4.319 -0.684 1.00 0.00 H new ATOM 773 N GLN A 49 13.512 5.329 6.137 1.00 0.00 N ATOM 774 CA GLN A 49 14.946 5.536 6.297 1.00 0.00 C ATOM 775 C GLN A 49 15.703 4.217 6.181 1.00 0.00 C ATOM 776 O GLN A 49 15.118 3.142 6.304 1.00 0.00 O ATOM 777 CB GLN A 49 15.241 6.189 7.649 1.00 0.00 C ATOM 778 CG GLN A 49 14.788 7.638 7.736 1.00 0.00 C ATOM 779 CD GLN A 49 15.719 8.585 7.004 1.00 0.00 C ATOM 780 OE1 GLN A 49 16.064 8.361 5.843 1.00 0.00 O ATOM 781 NE2 GLN A 49 16.130 9.651 7.680 1.00 0.00 N ATOM 0 H GLN A 49 13.088 4.739 6.853 1.00 0.00 H new ATOM 0 HA GLN A 49 15.283 6.199 5.500 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.750 5.616 8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.313 6.140 7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.785 7.727 7.320 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.726 7.933 8.783 1.00 0.00 H new ATOM 0 HE21 GLN A 49 15.819 9.797 8.640 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.757 10.324 7.239 1.00 0.00 H new ATOM 790 N GLY A 50 17.008 4.308 5.943 1.00 0.00 N ATOM 791 CA GLY A 50 17.823 3.114 5.814 1.00 0.00 C ATOM 792 C GLY A 50 19.077 3.354 4.997 1.00 0.00 C ATOM 793 O GLY A 50 19.153 4.312 4.228 1.00 0.00 O ATOM 0 H GLY A 50 17.515 5.187 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.102 2.759 6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.234 2.325 5.347 1.00 0.00 H new ATOM 797 N LYS A 51 20.066 2.482 5.164 1.00 0.00 N ATOM 798 CA LYS A 51 21.324 2.603 4.438 1.00 0.00 C ATOM 799 C LYS A 51 22.029 1.254 4.342 1.00 0.00 C ATOM 800 O LYS A 51 21.752 0.326 5.103 1.00 0.00 O ATOM 801 CB LYS A 51 22.238 3.620 5.125 1.00 0.00 C ATOM 802 CG LYS A 51 22.072 5.037 4.602 1.00 0.00 C ATOM 803 CD LYS A 51 23.293 5.890 4.906 1.00 0.00 C ATOM 804 CE LYS A 51 23.452 6.123 6.400 1.00 0.00 C ATOM 805 NZ LYS A 51 22.429 7.069 6.926 1.00 0.00 N ATOM 0 H LYS A 51 20.020 1.683 5.797 1.00 0.00 H new ATOM 0 HA LYS A 51 21.100 2.949 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.037 3.611 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.275 3.312 4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 51 21.904 5.011 3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.189 5.491 5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 51 24.186 5.401 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.205 6.849 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 51 23.372 5.172 6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 51 24.448 6.516 6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 22.632 7.281 7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.454 7.950 6.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 21.486 6.638 6.849 1.00 0.00 H new ATOM 819 N PRO A 52 22.964 1.139 3.387 1.00 0.00 N ATOM 820 CA PRO A 52 23.301 2.236 2.475 1.00 0.00 C ATOM 821 C PRO A 52 22.182 2.530 1.482 1.00 0.00 C ATOM 822 O PRO A 52 21.822 3.687 1.263 1.00 0.00 O ATOM 823 CB PRO A 52 24.543 1.720 1.743 1.00 0.00 C ATOM 824 CG PRO A 52 24.433 0.236 1.812 1.00 0.00 C ATOM 825 CD PRO A 52 23.762 -0.070 3.123 1.00 0.00 C ATOM 0 HA PRO A 52 23.461 3.173 3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.567 2.068 0.710 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.458 2.072 2.219 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.851 -0.151 0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.416 -0.231 1.759 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.135 -0.959 3.056 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.489 -0.252 3.914 1.00 0.00 H new ATOM 833 N ARG A 53 21.635 1.476 0.884 1.00 0.00 N ATOM 834 CA ARG A 53 20.557 1.622 -0.086 1.00 0.00 C ATOM 835 C ARG A 53 19.448 0.607 0.177 1.00 0.00 C ATOM 836 O ARG A 53 19.492 -0.531 -0.290 1.00 0.00 O ATOM 837 CB ARG A 53 21.095 1.450 -1.508 1.00 0.00 C ATOM 838 CG ARG A 53 20.128 1.914 -2.585 1.00 0.00 C ATOM 839 CD ARG A 53 20.745 1.805 -3.971 1.00 0.00 C ATOM 840 NE ARG A 53 20.071 2.667 -4.938 1.00 0.00 N ATOM 841 CZ ARG A 53 20.401 2.727 -6.224 1.00 0.00 C ATOM 842 NH1 ARG A 53 21.389 1.979 -6.694 1.00 0.00 N ATOM 843 NH2 ARG A 53 19.741 3.536 -7.042 1.00 0.00 N ATOM 0 H ARG A 53 21.921 0.512 1.055 1.00 0.00 H new ATOM 0 HA ARG A 53 20.141 2.624 0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 53 22.027 2.006 -1.604 1.00 0.00 H new ATOM 0 HB3 ARG A 53 21.332 0.399 -1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 53 19.219 1.315 -2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 53 19.838 2.947 -2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 53 21.800 2.073 -3.920 1.00 0.00 H new ATOM 0 HD3 ARG A 53 20.694 0.770 -4.310 1.00 0.00 H new ATOM 0 HE ARG A 53 19.305 3.255 -4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 53 21.898 1.355 -6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 53 21.640 2.027 -7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.980 4.113 -6.684 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.995 3.581 -8.029 1.00 0.00 H new ATOM 857 N PRO A 54 18.430 1.027 0.942 1.00 0.00 N ATOM 858 CA PRO A 54 17.291 0.171 1.284 1.00 0.00 C ATOM 859 C PRO A 54 16.398 -0.114 0.082 1.00 0.00 C ATOM 860 O PRO A 54 16.044 0.796 -0.668 1.00 0.00 O ATOM 861 CB PRO A 54 16.533 0.990 2.332 1.00 0.00 C ATOM 862 CG PRO A 54 16.899 2.405 2.043 1.00 0.00 C ATOM 863 CD PRO A 54 18.313 2.371 1.533 1.00 0.00 C ATOM 0 HA PRO A 54 17.610 -0.809 1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.457 0.835 2.253 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.823 0.705 3.343 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.227 2.838 1.302 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.822 3.019 2.940 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.493 3.152 0.794 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.034 2.521 2.337 1.00 0.00 H new ATOM 871 N GLN A 55 16.037 -1.381 -0.095 1.00 0.00 N ATOM 872 CA GLN A 55 15.185 -1.783 -1.208 1.00 0.00 C ATOM 873 C GLN A 55 13.717 -1.795 -0.793 1.00 0.00 C ATOM 874 O GLN A 55 13.353 -2.388 0.223 1.00 0.00 O ATOM 875 CB GLN A 55 15.594 -3.167 -1.716 1.00 0.00 C ATOM 876 CG GLN A 55 15.152 -3.445 -3.144 1.00 0.00 C ATOM 877 CD GLN A 55 15.775 -4.705 -3.713 1.00 0.00 C ATOM 878 OE1 GLN A 55 16.965 -4.960 -3.528 1.00 0.00 O ATOM 879 NE2 GLN A 55 14.972 -5.501 -4.409 1.00 0.00 N ATOM 0 H GLN A 55 16.321 -2.146 0.517 1.00 0.00 H new ATOM 0 HA GLN A 55 15.311 -1.056 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.678 -3.262 -1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.170 -3.926 -1.059 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.066 -3.536 -3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.418 -2.596 -3.774 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.992 -5.250 -4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.335 -6.363 -4.815 1.00 0.00 H new ATOM 888 N VAL A 56 12.878 -1.136 -1.585 1.00 0.00 N ATOM 889 CA VAL A 56 11.449 -1.071 -1.300 1.00 0.00 C ATOM 890 C VAL A 56 10.682 -2.120 -2.097 1.00 0.00 C ATOM 891 O VAL A 56 10.987 -2.376 -3.262 1.00 0.00 O ATOM 892 CB VAL A 56 10.876 0.323 -1.621 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.369 0.340 -1.417 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.550 1.385 -0.767 1.00 0.00 C ATOM 0 H VAL A 56 13.163 -0.639 -2.429 1.00 0.00 H new ATOM 0 HA VAL A 56 11.329 -1.269 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 56 11.079 0.549 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.982 1.332 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.904 -0.394 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.139 0.093 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.133 2.363 -1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.379 1.166 0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.621 1.388 -0.968 1.00 0.00 H new ATOM 904 N VAL A 57 9.683 -2.724 -1.462 1.00 0.00 N ATOM 905 CA VAL A 57 8.870 -3.745 -2.112 1.00 0.00 C ATOM 906 C VAL A 57 7.388 -3.396 -2.039 1.00 0.00 C ATOM 907 O VAL A 57 6.888 -2.983 -0.992 1.00 0.00 O ATOM 908 CB VAL A 57 9.092 -5.129 -1.474 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.132 -6.150 -2.066 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.535 -5.574 -1.656 1.00 0.00 C ATOM 0 H VAL A 57 9.417 -2.524 -0.498 1.00 0.00 H new ATOM 0 HA VAL A 57 9.181 -3.780 -3.156 1.00 0.00 H new ATOM 0 HB VAL A 57 8.891 -5.054 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.304 -7.122 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.105 -5.835 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.298 -6.225 -3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.674 -6.554 -1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.766 -5.633 -2.720 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.201 -4.854 -1.180 1.00 0.00 H new ATOM 920 N TRP A 58 6.690 -3.564 -3.156 1.00 0.00 N ATOM 921 CA TRP A 58 5.264 -3.267 -3.219 1.00 0.00 C ATOM 922 C TRP A 58 4.468 -4.501 -3.629 1.00 0.00 C ATOM 923 O TRP A 58 4.726 -5.101 -4.673 1.00 0.00 O ATOM 924 CB TRP A 58 5.003 -2.126 -4.204 1.00 0.00 C ATOM 925 CG TRP A 58 5.242 -0.768 -3.616 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.284 0.071 -3.890 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.423 -0.094 -2.655 1.00 0.00 C ATOM 928 NE1 TRP A 58 6.162 1.226 -3.156 1.00 0.00 N ATOM 929 CE2 TRP A 58 5.028 1.150 -2.391 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.236 -0.419 -1.993 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.486 2.066 -1.494 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.700 0.491 -1.102 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.324 1.722 -0.859 1.00 0.00 C ATOM 0 H TRP A 58 7.089 -3.905 -4.031 1.00 0.00 H new ATOM 0 HA TRP A 58 4.938 -2.961 -2.225 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.644 -2.255 -5.076 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.973 -2.186 -4.554 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.086 -0.142 -4.582 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.811 2.013 -3.177 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.746 -1.364 -2.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.966 3.015 -1.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.784 0.249 -0.584 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.879 2.412 -0.157 1.00 0.00 H new ATOM 944 N THR A 59 3.498 -4.877 -2.801 1.00 0.00 N ATOM 945 CA THR A 59 2.666 -6.041 -3.077 1.00 0.00 C ATOM 946 C THR A 59 1.224 -5.800 -2.644 1.00 0.00 C ATOM 947 O THR A 59 0.969 -5.287 -1.555 1.00 0.00 O ATOM 948 CB THR A 59 3.201 -7.297 -2.364 1.00 0.00 C ATOM 949 OG1 THR A 59 3.349 -7.039 -0.963 1.00 0.00 O ATOM 950 CG2 THR A 59 4.538 -7.724 -2.950 1.00 0.00 C ATOM 0 H THR A 59 3.270 -4.392 -1.933 1.00 0.00 H new ATOM 0 HA THR A 59 2.697 -6.204 -4.154 1.00 0.00 H new ATOM 0 HB THR A 59 2.484 -8.104 -2.511 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.688 -7.843 -0.516 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.896 -8.613 -2.430 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.416 -7.948 -4.010 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.262 -6.918 -2.830 1.00 0.00 H new ATOM 958 N LYS A 60 0.283 -6.175 -3.504 1.00 0.00 N ATOM 959 CA LYS A 60 -1.135 -6.002 -3.211 1.00 0.00 C ATOM 960 C LYS A 60 -1.803 -7.347 -2.945 1.00 0.00 C ATOM 961 O LYS A 60 -2.203 -8.048 -3.874 1.00 0.00 O ATOM 962 CB LYS A 60 -1.835 -5.294 -4.373 1.00 0.00 C ATOM 963 CG LYS A 60 -3.338 -5.171 -4.194 1.00 0.00 C ATOM 964 CD LYS A 60 -3.697 -4.008 -3.284 1.00 0.00 C ATOM 965 CE LYS A 60 -5.084 -4.179 -2.683 1.00 0.00 C ATOM 966 NZ LYS A 60 -5.189 -5.425 -1.875 1.00 0.00 N ATOM 0 H LYS A 60 0.477 -6.601 -4.410 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.223 -5.388 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.409 -4.298 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.631 -5.838 -5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.811 -5.033 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.733 -6.097 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.960 -3.929 -2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.656 -3.077 -3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.316 -3.319 -2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.826 -4.201 -3.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.034 -5.377 -1.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.264 -6.245 -2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.343 -5.525 -1.279 1.00 0.00 H new ATOM 980 N GLY A 61 -1.923 -7.702 -1.669 1.00 0.00 N ATOM 981 CA GLY A 61 -2.545 -8.961 -1.304 1.00 0.00 C ATOM 982 C GLY A 61 -1.554 -10.108 -1.266 1.00 0.00 C ATOM 983 O GLY A 61 -1.688 -11.026 -0.459 1.00 0.00 O ATOM 0 H GLY A 61 -1.600 -7.140 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.017 -8.860 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.336 -9.192 -2.017 1.00 0.00 H new ATOM 987 N GLY A 62 -0.557 -10.055 -2.144 1.00 0.00 N ATOM 988 CA GLY A 62 0.445 -11.104 -2.192 1.00 0.00 C ATOM 989 C GLY A 62 0.975 -11.336 -3.593 1.00 0.00 C ATOM 990 O GLY A 62 1.061 -12.474 -4.051 1.00 0.00 O ATOM 0 H GLY A 62 -0.425 -9.305 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.272 -10.842 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.015 -12.031 -1.811 1.00 0.00 H new ATOM 994 N ALA A 63 1.330 -10.252 -4.276 1.00 0.00 N ATOM 995 CA ALA A 63 1.854 -10.343 -5.633 1.00 0.00 C ATOM 996 C ALA A 63 2.396 -8.997 -6.103 1.00 0.00 C ATOM 997 O ALA A 63 1.987 -7.937 -5.630 1.00 0.00 O ATOM 998 CB ALA A 63 0.776 -10.841 -6.584 1.00 0.00 C ATOM 0 H ALA A 63 1.264 -9.302 -3.912 1.00 0.00 H new ATOM 0 HA ALA A 63 2.678 -11.057 -5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.182 -10.904 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.438 -11.828 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.066 -10.149 -6.574 1.00 0.00 H new ATOM 1004 N PRO A 64 3.340 -9.038 -7.056 1.00 0.00 N ATOM 1005 CA PRO A 64 3.958 -7.830 -7.610 1.00 0.00 C ATOM 1006 C PRO A 64 2.988 -7.024 -8.468 1.00 0.00 C ATOM 1007 O PRO A 64 2.458 -7.525 -9.461 1.00 0.00 O ATOM 1008 CB PRO A 64 5.101 -8.379 -8.468 1.00 0.00 C ATOM 1009 CG PRO A 64 4.672 -9.758 -8.834 1.00 0.00 C ATOM 1010 CD PRO A 64 3.875 -10.267 -7.665 1.00 0.00 C ATOM 0 HA PRO A 64 4.284 -7.144 -6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.260 -7.766 -9.355 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.041 -8.390 -7.915 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.071 -9.751 -9.743 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.534 -10.397 -9.027 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.077 -10.938 -7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.499 -10.824 -6.965 1.00 0.00 H new ATOM 1018 N LEU A 65 2.760 -5.775 -8.079 1.00 0.00 N ATOM 1019 CA LEU A 65 1.854 -4.898 -8.813 1.00 0.00 C ATOM 1020 C LEU A 65 2.004 -5.097 -10.318 1.00 0.00 C ATOM 1021 O LEU A 65 3.098 -5.371 -10.812 1.00 0.00 O ATOM 1022 CB LEU A 65 2.122 -3.437 -8.451 1.00 0.00 C ATOM 1023 CG LEU A 65 2.057 -3.091 -6.963 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.647 -1.713 -6.709 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.622 -3.160 -6.461 1.00 0.00 C ATOM 0 H LEU A 65 3.190 -5.346 -7.259 1.00 0.00 H new ATOM 0 HA LEU A 65 0.833 -5.154 -8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.110 -3.167 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.401 -2.814 -8.980 1.00 0.00 H new ATOM 0 HG LEU A 65 2.648 -3.823 -6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.592 -1.484 -5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.689 -1.698 -7.030 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.084 -0.967 -7.270 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.595 -2.911 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.008 -2.451 -7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.234 -4.168 -6.607 1.00 0.00 H new ATOM 1037 N ASP A 66 0.899 -4.955 -11.042 1.00 0.00 N ATOM 1038 CA ASP A 66 0.908 -5.115 -12.491 1.00 0.00 C ATOM 1039 C ASP A 66 2.007 -4.268 -13.125 1.00 0.00 C ATOM 1040 O ASP A 66 2.539 -4.609 -14.181 1.00 0.00 O ATOM 1041 CB ASP A 66 -0.451 -4.731 -13.077 1.00 0.00 C ATOM 1042 CG ASP A 66 -1.498 -5.808 -12.865 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -2.162 -5.789 -11.808 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -1.651 -6.670 -13.756 1.00 0.00 O ATOM 0 H ASP A 66 -0.015 -4.729 -10.649 1.00 0.00 H new ATOM 0 HA ASP A 66 1.108 -6.163 -12.714 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.791 -3.802 -12.619 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.342 -4.539 -14.144 1.00 0.00 H new ATOM 1049 N THR A 67 2.342 -3.158 -12.473 1.00 0.00 N ATOM 1050 CA THR A 67 3.375 -2.260 -12.973 1.00 0.00 C ATOM 1051 C THR A 67 3.159 -1.942 -14.448 1.00 0.00 C ATOM 1052 O THR A 67 4.117 -1.779 -15.204 1.00 0.00 O ATOM 1053 CB THR A 67 4.780 -2.863 -12.789 1.00 0.00 C ATOM 1054 OG1 THR A 67 4.890 -4.085 -13.528 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.068 -3.125 -11.319 1.00 0.00 C ATOM 0 H THR A 67 1.912 -2.860 -11.597 1.00 0.00 H new ATOM 0 HA THR A 67 3.304 -1.341 -12.392 1.00 0.00 H new ATOM 0 HB THR A 67 5.511 -2.146 -13.164 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.140 -4.157 -14.155 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.066 -3.551 -11.214 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.013 -2.188 -10.765 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.332 -3.824 -10.923 1.00 0.00 H new ATOM 1063 N SER A 68 1.896 -1.854 -14.852 1.00 0.00 N ATOM 1064 CA SER A 68 1.555 -1.558 -16.239 1.00 0.00 C ATOM 1065 C SER A 68 0.706 -0.295 -16.332 1.00 0.00 C ATOM 1066 O SER A 68 0.849 0.496 -17.264 1.00 0.00 O ATOM 1067 CB SER A 68 0.807 -2.737 -16.865 1.00 0.00 C ATOM 1068 OG SER A 68 -0.370 -3.039 -16.136 1.00 0.00 O ATOM 0 H SER A 68 1.091 -1.983 -14.239 1.00 0.00 H new ATOM 0 HA SER A 68 2.482 -1.392 -16.788 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.549 -2.501 -17.897 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.457 -3.612 -16.891 1.00 0.00 H new ATOM 0 HG SER A 68 -0.831 -3.795 -16.557 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.180 -0.112 -15.358 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.054 1.055 -15.329 1.00 0.00 C ATOM 1076 C ARG A 69 -0.746 1.936 -14.122 1.00 0.00 C ATOM 1077 O ARG A 69 -1.051 3.128 -14.117 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.520 0.619 -15.295 1.00 0.00 C ATOM 1079 CG ARG A 69 -2.846 -0.499 -16.272 1.00 0.00 C ATOM 1080 CD ARG A 69 -4.299 -0.442 -16.719 1.00 0.00 C ATOM 1081 NE ARG A 69 -4.642 0.852 -17.301 1.00 0.00 N ATOM 1082 CZ ARG A 69 -5.890 1.255 -17.514 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -6.907 0.467 -17.194 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -6.121 2.447 -18.049 1.00 0.00 N ATOM 0 H ARG A 69 -0.311 -0.757 -14.579 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.875 1.635 -16.235 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.770 0.292 -14.286 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.151 1.479 -15.517 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.193 -0.425 -17.142 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.646 -1.463 -15.804 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.484 -1.229 -17.450 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.949 -0.640 -15.866 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.882 1.481 -17.558 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -6.732 -0.450 -16.784 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.864 0.778 -17.358 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.340 3.055 -18.297 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.079 2.756 -18.212 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.140 1.340 -13.100 1.00 0.00 N ATOM 1099 CA VAL A 70 0.210 2.070 -11.887 1.00 0.00 C ATOM 1100 C VAL A 70 1.602 2.681 -11.997 1.00 0.00 C ATOM 1101 O VAL A 70 2.543 2.033 -12.456 1.00 0.00 O ATOM 1102 CB VAL A 70 0.158 1.157 -10.648 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.542 1.932 -9.397 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.224 0.539 -10.499 1.00 0.00 C ATOM 0 H VAL A 70 0.119 0.353 -13.088 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.525 2.866 -11.773 1.00 0.00 H new ATOM 0 HB VAL A 70 0.879 0.350 -10.782 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.499 1.270 -8.532 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.554 2.321 -9.507 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.152 2.760 -9.255 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.242 -0.103 -9.618 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.966 1.330 -10.387 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.455 -0.053 -11.385 1.00 0.00 H new ATOM 1114 N HIS A 71 1.727 3.934 -11.571 1.00 0.00 N ATOM 1115 CA HIS A 71 3.006 4.635 -11.620 1.00 0.00 C ATOM 1116 C HIS A 71 3.599 4.780 -10.222 1.00 0.00 C ATOM 1117 O HIS A 71 3.433 5.810 -9.569 1.00 0.00 O ATOM 1118 CB HIS A 71 2.832 6.013 -12.259 1.00 0.00 C ATOM 1119 CG HIS A 71 2.491 5.959 -13.716 1.00 0.00 C ATOM 1120 ND1 HIS A 71 3.137 6.717 -14.669 1.00 0.00 N ATOM 1121 CD2 HIS A 71 1.566 5.230 -14.382 1.00 0.00 C ATOM 1122 CE1 HIS A 71 2.623 6.458 -15.858 1.00 0.00 C ATOM 1123 NE2 HIS A 71 1.668 5.558 -15.711 1.00 0.00 N ATOM 0 H HIS A 71 0.959 4.485 -11.188 1.00 0.00 H new ATOM 0 HA HIS A 71 3.693 4.046 -12.228 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.046 6.553 -11.730 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.752 6.583 -12.131 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.876 4.522 -13.948 1.00 0.00 H new ATOM 0 HE1 HIS A 71 2.931 6.906 -16.791 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.099 5.170 -16.463 1.00 0.00 H new ATOM 1132 N VAL A 72 4.293 3.740 -9.768 1.00 0.00 N ATOM 1133 CA VAL A 72 4.911 3.752 -8.448 1.00 0.00 C ATOM 1134 C VAL A 72 6.301 4.378 -8.498 1.00 0.00 C ATOM 1135 O VAL A 72 7.270 3.732 -8.897 1.00 0.00 O ATOM 1136 CB VAL A 72 5.021 2.330 -7.866 1.00 0.00 C ATOM 1137 CG1 VAL A 72 5.784 2.348 -6.550 1.00 0.00 C ATOM 1138 CG2 VAL A 72 3.639 1.722 -7.683 1.00 0.00 C ATOM 0 H VAL A 72 4.441 2.879 -10.295 1.00 0.00 H new ATOM 0 HA VAL A 72 4.268 4.351 -7.803 1.00 0.00 H new ATOM 0 HB VAL A 72 5.576 1.710 -8.570 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.851 1.335 -6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.787 2.740 -6.717 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.261 2.983 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.735 0.717 -7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.057 2.340 -7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.133 1.672 -8.647 1.00 0.00 H new ATOM 1148 N ARG A 73 6.391 5.639 -8.089 1.00 0.00 N ATOM 1149 CA ARG A 73 7.662 6.353 -8.088 1.00 0.00 C ATOM 1150 C ARG A 73 8.402 6.143 -6.770 1.00 0.00 C ATOM 1151 O ARG A 73 8.150 6.838 -5.785 1.00 0.00 O ATOM 1152 CB ARG A 73 7.433 7.847 -8.324 1.00 0.00 C ATOM 1153 CG ARG A 73 7.161 8.199 -9.777 1.00 0.00 C ATOM 1154 CD ARG A 73 7.004 9.700 -9.966 1.00 0.00 C ATOM 1155 NE ARG A 73 5.768 10.200 -9.371 1.00 0.00 N ATOM 1156 CZ ARG A 73 5.472 11.491 -9.267 1.00 0.00 C ATOM 1157 NH1 ARG A 73 6.319 12.407 -9.716 1.00 0.00 N ATOM 1158 NH2 ARG A 73 4.327 11.868 -8.713 1.00 0.00 N ATOM 0 H ARG A 73 5.599 6.187 -7.754 1.00 0.00 H new ATOM 0 HA ARG A 73 8.274 5.954 -8.897 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.591 8.178 -7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.309 8.399 -7.983 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.979 7.836 -10.400 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.256 7.692 -10.112 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.855 10.213 -9.518 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.015 9.934 -11.030 1.00 0.00 H new ATOM 0 HE ARG A 73 5.095 9.521 -9.016 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.200 12.121 -10.143 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.089 13.397 -9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.673 11.166 -8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.101 12.859 -8.634 1.00 0.00 H new ATOM 1172 N THR A 74 9.317 5.178 -6.758 1.00 0.00 N ATOM 1173 CA THR A 74 10.093 4.875 -5.562 1.00 0.00 C ATOM 1174 C THR A 74 11.483 5.495 -5.636 1.00 0.00 C ATOM 1175 O THR A 74 12.214 5.290 -6.605 1.00 0.00 O ATOM 1176 CB THR A 74 10.231 3.355 -5.353 1.00 0.00 C ATOM 1177 OG1 THR A 74 8.948 2.727 -5.455 1.00 0.00 O ATOM 1178 CG2 THR A 74 10.844 3.050 -3.994 1.00 0.00 C ATOM 0 H THR A 74 9.538 4.593 -7.564 1.00 0.00 H new ATOM 0 HA THR A 74 9.553 5.303 -4.718 1.00 0.00 H new ATOM 0 HB THR A 74 10.889 2.962 -6.128 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.384 3.011 -4.705 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.932 1.971 -3.868 1.00 0.00 H new ATOM 0 HG22 THR A 74 11.833 3.504 -3.931 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.207 3.456 -3.208 1.00 0.00 H new ATOM 1186 N SER A 75 11.843 6.254 -4.606 1.00 0.00 N ATOM 1187 CA SER A 75 13.146 6.908 -4.557 1.00 0.00 C ATOM 1188 C SER A 75 13.916 6.490 -3.308 1.00 0.00 C ATOM 1189 O SER A 75 13.336 6.323 -2.235 1.00 0.00 O ATOM 1190 CB SER A 75 12.979 8.428 -4.582 1.00 0.00 C ATOM 1191 OG SER A 75 12.637 8.925 -3.300 1.00 0.00 O ATOM 0 H SER A 75 11.251 6.431 -3.794 1.00 0.00 H new ATOM 0 HA SER A 75 13.714 6.598 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.905 8.893 -4.921 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.205 8.700 -5.299 1.00 0.00 H new ATOM 0 HG SER A 75 11.752 8.591 -3.045 1.00 0.00 H new ATOM 1197 N ASP A 76 15.225 6.322 -3.456 1.00 0.00 N ATOM 1198 CA ASP A 76 16.077 5.925 -2.341 1.00 0.00 C ATOM 1199 C ASP A 76 15.610 6.575 -1.042 1.00 0.00 C ATOM 1200 O ASP A 76 15.607 5.943 0.014 1.00 0.00 O ATOM 1201 CB ASP A 76 17.532 6.305 -2.622 1.00 0.00 C ATOM 1202 CG ASP A 76 18.436 6.049 -1.432 1.00 0.00 C ATOM 1203 OD1 ASP A 76 18.122 5.143 -0.632 1.00 0.00 O ATOM 1204 OD2 ASP A 76 19.458 6.755 -1.301 1.00 0.00 O ATOM 0 H ASP A 76 15.720 6.455 -4.338 1.00 0.00 H new ATOM 0 HA ASP A 76 16.008 4.843 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 76 17.894 5.737 -3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.583 7.359 -2.894 1.00 0.00 H new ATOM 1209 N PHE A 77 15.216 7.841 -1.129 1.00 0.00 N ATOM 1210 CA PHE A 77 14.749 8.577 0.040 1.00 0.00 C ATOM 1211 C PHE A 77 13.391 8.057 0.504 1.00 0.00 C ATOM 1212 O PHE A 77 13.292 7.377 1.526 1.00 0.00 O ATOM 1213 CB PHE A 77 14.653 10.071 -0.277 1.00 0.00 C ATOM 1214 CG PHE A 77 15.990 10.737 -0.436 1.00 0.00 C ATOM 1215 CD1 PHE A 77 16.892 10.771 0.615 1.00 0.00 C ATOM 1216 CD2 PHE A 77 16.345 11.329 -1.638 1.00 0.00 C ATOM 1217 CE1 PHE A 77 18.123 11.382 0.472 1.00 0.00 C ATOM 1218 CE2 PHE A 77 17.575 11.941 -1.787 1.00 0.00 C ATOM 1219 CZ PHE A 77 18.465 11.969 -0.731 1.00 0.00 C ATOM 0 H PHE A 77 15.211 8.378 -1.996 1.00 0.00 H new ATOM 0 HA PHE A 77 15.470 8.428 0.844 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.079 10.204 -1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.101 10.569 0.520 1.00 0.00 H new ATOM 0 HD1 PHE A 77 16.630 10.314 1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.653 11.312 -2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 77 18.817 11.401 1.299 1.00 0.00 H new ATOM 0 HE2 PHE A 77 17.840 12.397 -2.729 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.426 12.449 -0.845 1.00 0.00 H new ATOM 1229 N ASP A 78 12.350 8.381 -0.253 1.00 0.00 N ATOM 1230 CA ASP A 78 10.998 7.947 0.079 1.00 0.00 C ATOM 1231 C ASP A 78 10.277 7.419 -1.158 1.00 0.00 C ATOM 1232 O ASP A 78 10.669 7.708 -2.289 1.00 0.00 O ATOM 1233 CB ASP A 78 10.204 9.102 0.692 1.00 0.00 C ATOM 1234 CG ASP A 78 10.520 10.433 0.039 1.00 0.00 C ATOM 1235 OD1 ASP A 78 9.958 10.713 -1.040 1.00 0.00 O ATOM 1236 OD2 ASP A 78 11.329 11.195 0.609 1.00 0.00 O ATOM 0 H ASP A 78 12.416 8.943 -1.102 1.00 0.00 H new ATOM 0 HA ASP A 78 11.072 7.140 0.808 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.138 8.897 0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.422 9.163 1.758 1.00 0.00 H new ATOM 1241 N THR A 79 9.222 6.642 -0.935 1.00 0.00 N ATOM 1242 CA THR A 79 8.448 6.071 -2.031 1.00 0.00 C ATOM 1243 C THR A 79 7.180 6.877 -2.286 1.00 0.00 C ATOM 1244 O THR A 79 6.681 7.567 -1.396 1.00 0.00 O ATOM 1245 CB THR A 79 8.064 4.607 -1.744 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.449 4.027 -2.900 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.113 4.519 -0.560 1.00 0.00 C ATOM 0 H THR A 79 8.884 6.393 -0.005 1.00 0.00 H new ATOM 0 HA THR A 79 9.081 6.105 -2.917 1.00 0.00 H new ATOM 0 HB THR A 79 8.973 4.057 -1.501 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.476 4.027 -2.787 1.00 0.00 H new ATOM 0 HG21 THR A 79 6.856 3.476 -0.376 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.594 4.935 0.325 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.206 5.083 -0.779 1.00 0.00 H new ATOM 1255 N VAL A 80 6.661 6.785 -3.506 1.00 0.00 N ATOM 1256 CA VAL A 80 5.448 7.504 -3.878 1.00 0.00 C ATOM 1257 C VAL A 80 4.528 6.631 -4.723 1.00 0.00 C ATOM 1258 O VAL A 80 4.951 6.054 -5.725 1.00 0.00 O ATOM 1259 CB VAL A 80 5.776 8.791 -4.658 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.498 9.503 -5.075 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.659 9.708 -3.825 1.00 0.00 C ATOM 0 H VAL A 80 7.062 6.219 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 80 4.940 7.769 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 80 6.323 8.519 -5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.750 10.410 -5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.906 8.845 -5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.921 9.765 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.881 10.612 -4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.140 9.975 -2.904 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.589 9.195 -3.582 1.00 0.00 H new ATOM 1271 N PHE A 81 3.268 6.538 -4.313 1.00 0.00 N ATOM 1272 CA PHE A 81 2.287 5.734 -5.033 1.00 0.00 C ATOM 1273 C PHE A 81 1.156 6.608 -5.569 1.00 0.00 C ATOM 1274 O PHE A 81 0.662 7.497 -4.877 1.00 0.00 O ATOM 1275 CB PHE A 81 1.716 4.648 -4.118 1.00 0.00 C ATOM 1276 CG PHE A 81 0.453 4.026 -4.642 1.00 0.00 C ATOM 1277 CD1 PHE A 81 -0.776 4.621 -4.407 1.00 0.00 C ATOM 1278 CD2 PHE A 81 0.495 2.847 -5.368 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -1.940 4.051 -4.887 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -0.666 2.272 -5.851 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.884 2.876 -5.610 1.00 0.00 C ATOM 0 H PHE A 81 2.902 7.009 -3.486 1.00 0.00 H new ATOM 0 HA PHE A 81 2.790 5.262 -5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.466 3.869 -3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.520 5.078 -3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.825 5.540 -3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.446 2.371 -5.559 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.892 4.524 -4.697 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -0.620 1.352 -6.416 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.792 2.430 -5.987 1.00 0.00 H new ATOM 1291 N PHE A 82 0.753 6.347 -6.809 1.00 0.00 N ATOM 1292 CA PHE A 82 -0.318 7.110 -7.440 1.00 0.00 C ATOM 1293 C PHE A 82 -1.063 6.257 -8.463 1.00 0.00 C ATOM 1294 O PHE A 82 -0.503 5.320 -9.032 1.00 0.00 O ATOM 1295 CB PHE A 82 0.249 8.360 -8.117 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.573 8.835 -9.281 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.596 8.121 -10.468 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -1.324 9.996 -9.188 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.351 8.557 -11.541 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -2.081 10.437 -10.257 1.00 0.00 C ATOM 1301 CZ PHE A 82 -2.095 9.715 -11.435 1.00 0.00 C ATOM 0 H PHE A 82 1.151 5.614 -7.396 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.021 7.413 -6.664 1.00 0.00 H new ATOM 0 HB2 PHE A 82 0.320 9.161 -7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.262 8.150 -8.459 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.017 7.213 -10.556 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.318 10.563 -8.269 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.359 7.992 -12.461 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.661 11.344 -10.172 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.687 10.056 -12.271 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.330 6.588 -8.690 1.00 0.00 N ATOM 1312 CA VAL A 83 -3.153 5.854 -9.643 1.00 0.00 C ATOM 1313 C VAL A 83 -4.002 6.803 -10.481 1.00 0.00 C ATOM 1314 O VAL A 83 -4.786 7.588 -9.946 1.00 0.00 O ATOM 1315 CB VAL A 83 -4.077 4.849 -8.930 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.942 4.110 -9.940 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -3.260 3.872 -8.099 1.00 0.00 C ATOM 0 H VAL A 83 -2.809 7.360 -8.227 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.471 5.309 -10.296 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.735 5.400 -8.258 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.588 3.404 -9.418 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.554 4.826 -10.488 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.304 3.569 -10.639 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.929 3.169 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.576 3.325 -8.748 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.689 4.420 -7.350 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.842 6.725 -11.798 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.594 7.578 -12.711 1.00 0.00 C ATOM 1329 C ARG A 84 -5.997 7.846 -12.174 1.00 0.00 C ATOM 1330 O ARG A 84 -6.333 8.977 -11.826 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.681 6.930 -14.094 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.489 7.738 -15.096 1.00 0.00 C ATOM 1333 CD ARG A 84 -4.630 8.786 -15.787 1.00 0.00 C ATOM 1334 NE ARG A 84 -5.426 9.909 -16.276 1.00 0.00 N ATOM 1335 CZ ARG A 84 -4.905 11.079 -16.632 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -3.597 11.277 -16.554 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -5.694 12.053 -17.067 1.00 0.00 N ATOM 0 H ARG A 84 -3.199 6.080 -12.257 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.068 8.529 -12.795 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.673 6.788 -14.483 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -5.127 5.940 -13.995 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.920 7.070 -15.841 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.320 8.225 -14.587 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.875 9.152 -15.091 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -4.099 8.327 -16.621 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.436 9.789 -16.348 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.987 10.531 -16.220 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.200 12.176 -16.828 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.701 11.904 -17.128 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.293 12.950 -17.340 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.810 6.796 -12.110 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.177 6.919 -11.616 1.00 0.00 C ATOM 1353 C GLN A 85 -8.489 5.826 -10.600 1.00 0.00 C ATOM 1354 O GLN A 85 -8.345 4.638 -10.887 1.00 0.00 O ATOM 1355 CB GLN A 85 -9.169 6.849 -12.778 1.00 0.00 C ATOM 1356 CG GLN A 85 -9.158 8.086 -13.663 1.00 0.00 C ATOM 1357 CD GLN A 85 -10.071 9.180 -13.148 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -9.618 10.274 -12.808 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -11.366 8.892 -13.086 1.00 0.00 N ATOM 0 H GLN A 85 -6.547 5.852 -12.393 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.273 7.886 -11.123 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.941 5.974 -13.387 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -10.173 6.707 -12.379 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.140 8.470 -13.732 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.463 7.809 -14.672 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -11.699 7.973 -13.378 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -12.028 9.590 -12.747 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.916 6.235 -9.410 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.249 5.291 -8.351 1.00 0.00 C ATOM 1370 C ALA A 86 -10.486 4.475 -8.713 1.00 0.00 C ATOM 1371 O ALA A 86 -11.301 4.896 -9.533 1.00 0.00 O ATOM 1372 CB ALA A 86 -9.465 6.026 -7.037 1.00 0.00 C ATOM 0 H ALA A 86 -9.039 7.215 -9.155 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.412 4.602 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.713 5.308 -6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.554 6.559 -6.764 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.283 6.738 -7.149 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.619 3.306 -8.095 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.758 2.432 -8.352 1.00 0.00 C ATOM 1380 C ALA A 87 -11.977 1.462 -7.195 1.00 0.00 C ATOM 1381 O ALA A 87 -11.021 0.950 -6.613 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.555 1.668 -9.652 1.00 0.00 C ATOM 0 H ALA A 87 -9.953 2.942 -7.413 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.648 3.054 -8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.413 1.020 -9.831 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.455 2.374 -10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.651 1.063 -9.581 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.241 1.215 -6.868 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.585 0.308 -5.779 1.00 0.00 C ATOM 1390 C ARG A 88 -12.624 -0.877 -5.735 1.00 0.00 C ATOM 1391 O ARG A 88 -12.301 -1.387 -4.662 1.00 0.00 O ATOM 1392 CB ARG A 88 -15.022 -0.192 -5.938 1.00 0.00 C ATOM 1393 CG ARG A 88 -16.066 0.905 -5.810 1.00 0.00 C ATOM 1394 CD ARG A 88 -16.196 1.386 -4.373 1.00 0.00 C ATOM 1395 NE ARG A 88 -16.906 0.423 -3.536 1.00 0.00 N ATOM 1396 CZ ARG A 88 -16.302 -0.550 -2.861 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -14.985 -0.687 -2.925 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -17.017 -1.387 -2.120 1.00 0.00 N ATOM 0 H ARG A 88 -14.044 1.630 -7.341 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.501 0.857 -4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.126 -0.669 -6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.217 -0.957 -5.186 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.795 1.743 -6.452 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -17.030 0.534 -6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -15.203 1.564 -3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -16.724 2.340 -4.356 1.00 0.00 H new ATOM 0 HE ARG A 88 -17.921 0.501 -3.465 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.432 -0.045 -3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.524 -1.434 -2.406 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -18.030 -1.284 -2.068 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.553 -2.133 -1.602 1.00 0.00 H new ATOM 1412 N SER A 89 -12.173 -1.310 -6.908 1.00 0.00 N ATOM 1413 CA SER A 89 -11.253 -2.437 -7.003 1.00 0.00 C ATOM 1414 C SER A 89 -9.992 -2.181 -6.184 1.00 0.00 C ATOM 1415 O SER A 89 -9.623 -2.981 -5.325 1.00 0.00 O ATOM 1416 CB SER A 89 -10.882 -2.697 -8.465 1.00 0.00 C ATOM 1417 OG SER A 89 -10.396 -4.017 -8.640 1.00 0.00 O ATOM 0 H SER A 89 -12.430 -0.898 -7.805 1.00 0.00 H new ATOM 0 HA SER A 89 -11.753 -3.317 -6.600 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.755 -2.540 -9.099 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.124 -1.982 -8.784 1.00 0.00 H new ATOM 0 HG SER A 89 -10.167 -4.159 -9.582 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.335 -1.059 -6.458 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.115 -0.694 -5.746 1.00 0.00 C ATOM 1425 C ASP A 90 -8.254 -0.971 -4.253 1.00 0.00 C ATOM 1426 O ASP A 90 -7.360 -1.548 -3.632 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.787 0.782 -5.976 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.319 1.058 -7.391 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -6.382 0.371 -7.850 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -7.888 1.960 -8.039 1.00 0.00 O ATOM 0 H ASP A 90 -9.626 -0.387 -7.168 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.300 -1.304 -6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.670 1.385 -5.765 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.014 1.093 -5.274 1.00 0.00 H new ATOM 1435 N SER A 91 -9.379 -0.556 -3.681 1.00 0.00 N ATOM 1436 CA SER A 91 -9.633 -0.754 -2.259 1.00 0.00 C ATOM 1437 C SER A 91 -9.055 -2.084 -1.784 1.00 0.00 C ATOM 1438 O SER A 91 -9.433 -3.148 -2.273 1.00 0.00 O ATOM 1439 CB SER A 91 -11.136 -0.709 -1.976 1.00 0.00 C ATOM 1440 OG SER A 91 -11.723 -1.989 -2.129 1.00 0.00 O ATOM 0 H SER A 91 -10.130 -0.080 -4.181 1.00 0.00 H new ATOM 0 HA SER A 91 -9.143 0.052 -1.712 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.308 -0.346 -0.963 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.616 -0.002 -2.653 1.00 0.00 H new ATOM 0 HG SER A 91 -12.050 -2.091 -3.047 1.00 0.00 H new ATOM 1446 N GLY A 92 -8.135 -2.015 -0.827 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.518 -3.219 -0.302 1.00 0.00 C ATOM 1448 C GLY A 92 -6.481 -2.922 0.763 1.00 0.00 C ATOM 1449 O GLY A 92 -6.604 -1.947 1.503 1.00 0.00 O ATOM 0 H GLY A 92 -7.806 -1.146 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.289 -3.866 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.049 -3.769 -1.118 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.457 -3.767 0.841 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.396 -3.590 1.825 1.00 0.00 C ATOM 1455 C GLU A 93 -3.022 -3.728 1.175 1.00 0.00 C ATOM 1456 O GLU A 93 -2.653 -4.803 0.700 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.542 -4.612 2.955 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.531 -4.431 4.074 1.00 0.00 C ATOM 1459 CD GLU A 93 -2.191 -5.065 3.758 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -1.354 -4.396 3.117 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -1.979 -6.231 4.153 1.00 0.00 O ATOM 0 H GLU A 93 -5.340 -4.579 0.235 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.484 -2.586 2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.547 -4.541 3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.438 -5.615 2.542 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.390 -3.367 4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.928 -4.867 4.991 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.270 -2.633 1.157 1.00 0.00 N ATOM 1469 CA TYR A 94 -0.939 -2.631 0.563 1.00 0.00 C ATOM 1470 C TYR A 94 0.123 -2.971 1.604 1.00 0.00 C ATOM 1471 O TYR A 94 0.140 -2.406 2.696 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.639 -1.266 -0.061 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.363 -1.024 -1.366 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.728 -1.260 -1.479 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.684 -0.559 -2.485 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.394 -1.041 -2.670 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.342 -0.336 -3.679 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.697 -0.579 -3.766 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.357 -0.358 -4.954 1.00 0.00 O ATOM 0 H TYR A 94 -2.560 -1.736 1.547 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.915 -3.393 -0.216 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.913 -0.484 0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.435 -1.181 -0.230 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.277 -1.621 -0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.377 -0.368 -2.420 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.455 -1.231 -2.742 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.799 0.026 -4.539 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.077 0.503 -5.328 1.00 0.00 H new ATOM 1489 N GLU A 95 1.009 -3.899 1.254 1.00 0.00 N ATOM 1490 CA GLU A 95 2.075 -4.315 2.158 1.00 0.00 C ATOM 1491 C GLU A 95 3.426 -3.787 1.686 1.00 0.00 C ATOM 1492 O GLU A 95 3.940 -4.204 0.647 1.00 0.00 O ATOM 1493 CB GLU A 95 2.119 -5.841 2.261 1.00 0.00 C ATOM 1494 CG GLU A 95 2.674 -6.346 3.583 1.00 0.00 C ATOM 1495 CD GLU A 95 2.777 -7.858 3.633 1.00 0.00 C ATOM 1496 OE1 GLU A 95 1.722 -8.522 3.718 1.00 0.00 O ATOM 1497 OE2 GLU A 95 3.911 -8.378 3.586 1.00 0.00 O ATOM 0 H GLU A 95 1.010 -4.376 0.352 1.00 0.00 H new ATOM 0 HA GLU A 95 1.865 -3.897 3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.112 -6.235 2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.728 -6.234 1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.661 -5.913 3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.035 -6.002 4.396 1.00 0.00 H new ATOM 1504 N LEU A 96 3.997 -2.867 2.456 1.00 0.00 N ATOM 1505 CA LEU A 96 5.289 -2.280 2.117 1.00 0.00 C ATOM 1506 C LEU A 96 6.400 -2.878 2.974 1.00 0.00 C ATOM 1507 O LEU A 96 6.458 -2.648 4.181 1.00 0.00 O ATOM 1508 CB LEU A 96 5.246 -0.762 2.303 1.00 0.00 C ATOM 1509 CG LEU A 96 6.587 -0.035 2.196 1.00 0.00 C ATOM 1510 CD1 LEU A 96 7.166 -0.188 0.798 1.00 0.00 C ATOM 1511 CD2 LEU A 96 6.426 1.436 2.550 1.00 0.00 C ATOM 0 H LEU A 96 3.586 -2.511 3.319 1.00 0.00 H new ATOM 0 HA LEU A 96 5.500 -2.506 1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.568 -0.344 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.816 -0.548 3.282 1.00 0.00 H new ATOM 0 HG LEU A 96 7.281 -0.485 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.120 0.336 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.318 -1.245 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.475 0.236 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.390 1.938 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.717 1.900 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.055 1.526 3.571 1.00 0.00 H new ATOM 1523 N SER A 97 7.281 -3.646 2.340 1.00 0.00 N ATOM 1524 CA SER A 97 8.390 -4.278 3.044 1.00 0.00 C ATOM 1525 C SER A 97 9.727 -3.843 2.453 1.00 0.00 C ATOM 1526 O SER A 97 9.905 -3.825 1.235 1.00 0.00 O ATOM 1527 CB SER A 97 8.261 -5.801 2.978 1.00 0.00 C ATOM 1528 OG SER A 97 6.901 -6.200 2.999 1.00 0.00 O ATOM 0 H SER A 97 7.248 -3.845 1.340 1.00 0.00 H new ATOM 0 HA SER A 97 8.354 -3.962 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.737 -6.170 2.070 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.788 -6.250 3.820 1.00 0.00 H new ATOM 0 HG SER A 97 6.846 -7.177 2.954 1.00 0.00 H new ATOM 1534 N VAL A 98 10.667 -3.493 3.326 1.00 0.00 N ATOM 1535 CA VAL A 98 11.990 -3.059 2.892 1.00 0.00 C ATOM 1536 C VAL A 98 13.007 -4.188 3.018 1.00 0.00 C ATOM 1537 O VAL A 98 13.278 -4.671 4.117 1.00 0.00 O ATOM 1538 CB VAL A 98 12.479 -1.848 3.709 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.855 -1.405 3.235 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.480 -0.705 3.615 1.00 0.00 C ATOM 0 H VAL A 98 10.537 -3.502 4.338 1.00 0.00 H new ATOM 0 HA VAL A 98 11.901 -2.769 1.845 1.00 0.00 H new ATOM 0 HB VAL A 98 12.560 -2.145 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.184 -0.549 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.563 -2.224 3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.805 -1.124 2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.841 0.142 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.366 -0.406 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.516 -1.031 4.007 1.00 0.00 H new ATOM 1550 N GLN A 99 13.567 -4.602 1.886 1.00 0.00 N ATOM 1551 CA GLN A 99 14.555 -5.674 1.870 1.00 0.00 C ATOM 1552 C GLN A 99 15.971 -5.110 1.939 1.00 0.00 C ATOM 1553 O GLN A 99 16.445 -4.482 0.992 1.00 0.00 O ATOM 1554 CB GLN A 99 14.393 -6.527 0.611 1.00 0.00 C ATOM 1555 CG GLN A 99 14.803 -7.978 0.802 1.00 0.00 C ATOM 1556 CD GLN A 99 14.423 -8.852 -0.377 1.00 0.00 C ATOM 1557 OE1 GLN A 99 13.276 -9.282 -0.501 1.00 0.00 O ATOM 1558 NE2 GLN A 99 15.386 -9.119 -1.251 1.00 0.00 N ATOM 0 H GLN A 99 13.353 -4.211 0.968 1.00 0.00 H new ATOM 0 HA GLN A 99 14.390 -6.300 2.747 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.352 -6.492 0.290 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.989 -6.092 -0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 99 15.881 -8.030 0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 99 14.334 -8.368 1.705 1.00 0.00 H new ATOM 0 HE21 GLN A 99 16.323 -8.741 -1.109 1.00 0.00 H new ATOM 0 HE22 GLN A 99 15.189 -9.702 -2.065 1.00 0.00 H new ATOM 1567 N ILE A 100 16.639 -5.339 3.064 1.00 0.00 N ATOM 1568 CA ILE A 100 18.001 -4.855 3.255 1.00 0.00 C ATOM 1569 C ILE A 100 19.006 -6.000 3.189 1.00 0.00 C ATOM 1570 O ILE A 100 18.646 -7.164 3.361 1.00 0.00 O ATOM 1571 CB ILE A 100 18.156 -4.128 4.604 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.064 -3.069 4.765 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.535 -3.495 4.708 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.441 -1.720 4.195 1.00 0.00 C ATOM 0 H ILE A 100 16.260 -5.856 3.857 1.00 0.00 H new ATOM 0 HA ILE A 100 18.202 -4.152 2.447 1.00 0.00 H new ATOM 0 HB ILE A 100 18.050 -4.857 5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.155 -3.419 4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 100 16.833 -2.955 5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.630 -2.985 5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.298 -4.270 4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.667 -2.776 3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.620 -1.019 4.345 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.332 -1.348 4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.643 -1.819 3.129 1.00 0.00 H new ATOM 1586 N GLU A 101 20.267 -5.660 2.940 1.00 0.00 N ATOM 1587 CA GLU A 101 21.324 -6.661 2.853 1.00 0.00 C ATOM 1588 C GLU A 101 21.035 -7.839 3.778 1.00 0.00 C ATOM 1589 O GLU A 101 20.934 -8.981 3.332 1.00 0.00 O ATOM 1590 CB GLU A 101 22.676 -6.038 3.208 1.00 0.00 C ATOM 1591 CG GLU A 101 23.309 -5.265 2.064 1.00 0.00 C ATOM 1592 CD GLU A 101 24.785 -4.998 2.287 1.00 0.00 C ATOM 1593 OE1 GLU A 101 25.129 -4.404 3.331 1.00 0.00 O ATOM 1594 OE2 GLU A 101 25.596 -5.382 1.418 1.00 0.00 O ATOM 0 H GLU A 101 20.581 -4.700 2.795 1.00 0.00 H new ATOM 0 HA GLU A 101 21.359 -7.028 1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.546 -5.369 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.358 -6.827 3.524 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.181 -5.825 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 101 22.787 -4.316 1.938 1.00 0.00 H new ATOM 1601 N ASN A 102 20.905 -7.553 5.069 1.00 0.00 N ATOM 1602 CA ASN A 102 20.629 -8.588 6.058 1.00 0.00 C ATOM 1603 C ASN A 102 19.370 -8.259 6.855 1.00 0.00 C ATOM 1604 O ASN A 102 18.687 -9.153 7.352 1.00 0.00 O ATOM 1605 CB ASN A 102 21.819 -8.747 7.007 1.00 0.00 C ATOM 1606 CG ASN A 102 21.878 -10.126 7.635 1.00 0.00 C ATOM 1607 OD1 ASN A 102 20.898 -10.601 8.210 1.00 0.00 O ATOM 1608 ND2 ASN A 102 23.031 -10.776 7.528 1.00 0.00 N ATOM 0 H ASN A 102 20.986 -6.612 5.455 1.00 0.00 H new ATOM 0 HA ASN A 102 20.467 -9.527 5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.743 -8.560 6.461 1.00 0.00 H new ATOM 0 HB3 ASN A 102 21.756 -7.995 7.794 1.00 0.00 H new ATOM 0 HD21 ASN A 102 23.131 -11.708 7.931 1.00 0.00 H new ATOM 0 HD22 ASN A 102 23.817 -10.344 7.043 1.00 0.00 H new ATOM 1615 N MET A 103 19.071 -6.969 6.970 1.00 0.00 N ATOM 1616 CA MET A 103 17.893 -6.522 7.705 1.00 0.00 C ATOM 1617 C MET A 103 16.659 -6.526 6.808 1.00 0.00 C ATOM 1618 O MET A 103 16.768 -6.621 5.585 1.00 0.00 O ATOM 1619 CB MET A 103 18.122 -5.119 8.271 1.00 0.00 C ATOM 1620 CG MET A 103 19.106 -5.084 9.429 1.00 0.00 C ATOM 1621 SD MET A 103 18.400 -5.722 10.961 1.00 0.00 S ATOM 1622 CE MET A 103 17.345 -4.357 11.442 1.00 0.00 C ATOM 0 H MET A 103 19.627 -6.216 6.565 1.00 0.00 H new ATOM 0 HA MET A 103 17.724 -7.216 8.529 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.487 -4.470 7.475 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.168 -4.710 8.603 1.00 0.00 H new ATOM 0 HG2 MET A 103 19.988 -5.669 9.169 1.00 0.00 H new ATOM 0 HG3 MET A 103 19.439 -4.058 9.587 1.00 0.00 H new ATOM 0 HE1 MET A 103 17.237 -4.345 12.527 1.00 0.00 H new ATOM 0 HE2 MET A 103 17.791 -3.419 11.112 1.00 0.00 H new ATOM 0 HE3 MET A 103 16.364 -4.475 10.981 1.00 0.00 H new ATOM 1632 N LYS A 104 15.486 -6.423 7.423 1.00 0.00 N ATOM 1633 CA LYS A 104 14.231 -6.413 6.681 1.00 0.00 C ATOM 1634 C LYS A 104 13.109 -5.805 7.517 1.00 0.00 C ATOM 1635 O LYS A 104 13.025 -6.038 8.723 1.00 0.00 O ATOM 1636 CB LYS A 104 13.853 -7.835 6.260 1.00 0.00 C ATOM 1637 CG LYS A 104 12.700 -7.891 5.273 1.00 0.00 C ATOM 1638 CD LYS A 104 11.904 -9.177 5.419 1.00 0.00 C ATOM 1639 CE LYS A 104 11.244 -9.575 4.107 1.00 0.00 C ATOM 1640 NZ LYS A 104 10.679 -10.952 4.166 1.00 0.00 N ATOM 0 H LYS A 104 15.378 -6.345 8.434 1.00 0.00 H new ATOM 0 HA LYS A 104 14.370 -5.801 5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.724 -8.317 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.589 -8.410 7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.043 -7.035 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.086 -7.814 4.256 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.563 -9.978 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.141 -9.049 6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.450 -8.867 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.975 -9.516 3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.238 -11.186 3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.440 -11.631 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.963 -11.002 4.919 1.00 0.00 H new ATOM 1654 N ASP A 105 12.250 -5.026 6.869 1.00 0.00 N ATOM 1655 CA ASP A 105 11.132 -4.386 7.552 1.00 0.00 C ATOM 1656 C ASP A 105 9.832 -4.597 6.782 1.00 0.00 C ATOM 1657 O ASP A 105 9.844 -4.825 5.572 1.00 0.00 O ATOM 1658 CB ASP A 105 11.400 -2.890 7.725 1.00 0.00 C ATOM 1659 CG ASP A 105 10.511 -2.261 8.779 1.00 0.00 C ATOM 1660 OD1 ASP A 105 9.991 -3.004 9.638 1.00 0.00 O ATOM 1661 OD2 ASP A 105 10.337 -1.025 8.746 1.00 0.00 O ATOM 0 H ASP A 105 12.307 -4.822 5.871 1.00 0.00 H new ATOM 0 HA ASP A 105 11.029 -4.844 8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.444 -2.740 7.998 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.244 -2.383 6.773 1.00 0.00 H new ATOM 1666 N THR A 106 8.711 -4.521 7.492 1.00 0.00 N ATOM 1667 CA THR A 106 7.403 -4.705 6.876 1.00 0.00 C ATOM 1668 C THR A 106 6.409 -3.660 7.371 1.00 0.00 C ATOM 1669 O THR A 106 6.547 -3.134 8.475 1.00 0.00 O ATOM 1670 CB THR A 106 6.839 -6.109 7.164 1.00 0.00 C ATOM 1671 OG1 THR A 106 6.800 -6.341 8.576 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.686 -7.180 6.492 1.00 0.00 C ATOM 0 H THR A 106 8.683 -4.333 8.494 1.00 0.00 H new ATOM 0 HA THR A 106 7.542 -4.590 5.801 1.00 0.00 H new ATOM 0 HB THR A 106 5.828 -6.161 6.760 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.439 -7.235 8.751 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.269 -8.163 6.709 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.690 -7.018 5.414 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.707 -7.127 6.871 1.00 0.00 H new ATOM 1680 N ALA A 107 5.408 -3.365 6.549 1.00 0.00 N ATOM 1681 CA ALA A 107 4.390 -2.384 6.905 1.00 0.00 C ATOM 1682 C ALA A 107 3.071 -2.683 6.201 1.00 0.00 C ATOM 1683 O ALA A 107 3.054 -3.182 5.076 1.00 0.00 O ATOM 1684 CB ALA A 107 4.867 -0.981 6.563 1.00 0.00 C ATOM 0 H ALA A 107 5.280 -3.791 5.631 1.00 0.00 H new ATOM 0 HA ALA A 107 4.220 -2.446 7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 107 4.097 -0.259 6.834 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.780 -0.762 7.116 1.00 0.00 H new ATOM 0 HB3 ALA A 107 5.066 -0.915 5.493 1.00 0.00 H new ATOM 1690 N THR A 108 1.965 -2.374 6.872 1.00 0.00 N ATOM 1691 CA THR A 108 0.640 -2.611 6.312 1.00 0.00 C ATOM 1692 C THR A 108 -0.100 -1.300 6.077 1.00 0.00 C ATOM 1693 O THR A 108 -0.065 -0.398 6.914 1.00 0.00 O ATOM 1694 CB THR A 108 -0.207 -3.508 7.234 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.436 -4.775 7.412 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.599 -3.716 6.656 1.00 0.00 C ATOM 0 H THR A 108 1.961 -1.959 7.804 1.00 0.00 H new ATOM 0 HA THR A 108 0.786 -3.118 5.358 1.00 0.00 H new ATOM 0 HB THR A 108 -0.302 -3.012 8.200 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.108 -5.338 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.179 -4.353 7.324 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.097 -2.752 6.550 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.520 -4.193 5.679 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.769 -1.200 4.933 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.519 0.002 4.589 1.00 0.00 C ATOM 1706 C ILE A 109 -2.924 -0.346 4.111 1.00 0.00 C ATOM 1707 O ILE A 109 -3.097 -0.999 3.082 1.00 0.00 O ATOM 1708 CB ILE A 109 -0.804 0.818 3.496 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.577 1.263 3.982 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.645 2.022 3.100 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.515 1.653 2.862 1.00 0.00 C ATOM 0 H ILE A 109 -0.807 -1.937 4.229 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.585 0.604 5.495 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.673 0.186 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.460 2.110 4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 109 1.028 0.455 4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.127 2.589 2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.608 1.683 2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -1.804 2.657 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.474 1.957 3.280 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.662 0.801 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 109 1.085 2.482 2.299 1.00 0.00 H new ATOM 1723 N ARG A 110 -3.926 0.097 4.864 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.317 -0.166 4.517 1.00 0.00 C ATOM 1725 C ARG A 110 -5.893 0.971 3.678 1.00 0.00 C ATOM 1726 O ARG A 110 -5.909 2.125 4.107 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.154 -0.354 5.784 1.00 0.00 C ATOM 1728 CG ARG A 110 -5.643 -1.459 6.693 1.00 0.00 C ATOM 1729 CD ARG A 110 -4.575 -0.946 7.646 1.00 0.00 C ATOM 1730 NE ARG A 110 -4.231 -1.934 8.666 1.00 0.00 N ATOM 1731 CZ ARG A 110 -3.306 -1.737 9.598 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -2.636 -0.593 9.641 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -3.050 -2.684 10.492 1.00 0.00 N ATOM 0 H ARG A 110 -3.800 0.640 5.718 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.351 -1.082 3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.171 0.583 6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.183 -0.575 5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.473 -1.875 7.264 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.235 -2.269 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -3.681 -0.682 7.081 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -4.927 -0.034 8.129 1.00 0.00 H new ATOM 0 HE ARG A 110 -4.729 -2.824 8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -2.831 0.138 8.957 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -1.926 -0.444 10.358 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.564 -3.565 10.464 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.339 -2.531 11.207 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.363 0.637 2.481 1.00 0.00 N ATOM 1748 CA ILE A 111 -6.940 1.630 1.583 1.00 0.00 C ATOM 1749 C ILE A 111 -8.430 1.382 1.374 1.00 0.00 C ATOM 1750 O ILE A 111 -8.860 0.244 1.190 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.233 1.629 0.215 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.770 2.045 0.371 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -6.953 2.555 -0.754 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -3.952 1.868 -0.889 1.00 0.00 C ATOM 0 H ILE A 111 -6.356 -0.313 2.111 1.00 0.00 H new ATOM 0 HA ILE A 111 -6.799 2.603 2.055 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.261 0.618 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.729 3.090 0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.318 1.460 1.172 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.441 2.544 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.981 2.216 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.953 3.570 -0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -2.925 2.183 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -3.962 0.819 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.379 2.474 -1.688 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.212 2.456 1.402 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.654 2.356 1.215 1.00 0.00 C ATOM 1768 C ARG A 112 -11.122 3.277 0.092 1.00 0.00 C ATOM 1769 O ARG A 112 -10.819 4.470 0.086 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.384 2.706 2.513 1.00 0.00 C ATOM 1771 CG ARG A 112 -12.887 2.491 2.444 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.515 2.495 3.829 1.00 0.00 C ATOM 1773 NE ARG A 112 -14.876 1.966 3.814 1.00 0.00 N ATOM 1774 CZ ARG A 112 -15.538 1.609 4.910 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -14.966 1.724 6.100 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -16.774 1.135 4.815 1.00 0.00 N ATOM 0 H ARG A 112 -8.871 3.405 1.552 1.00 0.00 H new ATOM 0 HA ARG A 112 -10.889 1.328 0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.976 2.102 3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.186 3.749 2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.340 3.274 1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.098 1.542 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -12.902 1.900 4.507 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.526 3.513 4.219 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.344 1.865 2.913 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.016 2.087 6.176 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -15.476 1.449 6.940 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.217 1.044 3.900 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -17.281 0.861 5.656 1.00 0.00 H new ATOM 1790 N VAL A 113 -11.862 2.715 -0.859 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.372 3.485 -1.986 1.00 0.00 C ATOM 1792 C VAL A 113 -13.887 3.637 -1.908 1.00 0.00 C ATOM 1793 O VAL A 113 -14.626 2.656 -1.997 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.003 2.826 -3.329 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.585 3.617 -4.490 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.493 2.701 -3.462 1.00 0.00 C ATOM 0 H VAL A 113 -12.121 1.729 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 113 -11.907 4.470 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.432 1.824 -3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.314 3.136 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.671 3.650 -4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.188 4.632 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.249 2.234 -4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.041 3.692 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.106 2.088 -2.648 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.344 4.874 -1.740 1.00 0.00 N ATOM 1807 CA VAL A 114 -15.772 5.156 -1.650 1.00 0.00 C ATOM 1808 C VAL A 114 -16.294 5.766 -2.946 1.00 0.00 C ATOM 1809 O VAL A 114 -15.579 6.496 -3.632 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.083 6.112 -0.484 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -15.708 5.474 0.845 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.358 7.436 -0.673 1.00 0.00 C ATOM 0 H VAL A 114 -13.746 5.697 -1.663 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.272 4.204 -1.472 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.155 6.309 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -15.935 6.165 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.277 4.555 0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.642 5.245 0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.589 8.100 0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.283 7.260 -0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.682 7.898 -1.606 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.546 5.461 -3.275 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.163 5.980 -4.490 1.00 0.00 C ATOM 1824 C GLU A 115 -18.358 7.491 -4.399 1.00 0.00 C ATOM 1825 O GLU A 115 -18.126 8.096 -3.353 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.509 5.295 -4.737 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.384 3.839 -5.151 1.00 0.00 C ATOM 1828 CD GLU A 115 -20.660 3.054 -4.916 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -21.291 3.252 -3.856 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -21.028 2.242 -5.791 1.00 0.00 O ATOM 0 H GLU A 115 -18.152 4.858 -2.718 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.496 5.767 -5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.110 5.356 -3.830 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.047 5.840 -5.513 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -19.119 3.787 -6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.569 3.376 -4.595 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.784 8.094 -5.504 1.00 0.00 N ATOM 1838 CA LYS A 116 -19.011 9.533 -5.551 1.00 0.00 C ATOM 1839 C LYS A 116 -20.501 9.852 -5.486 1.00 0.00 C ATOM 1840 O LYS A 116 -20.989 10.731 -6.195 1.00 0.00 O ATOM 1841 CB LYS A 116 -18.408 10.124 -6.828 1.00 0.00 C ATOM 1842 CG LYS A 116 -16.950 10.523 -6.684 1.00 0.00 C ATOM 1843 CD LYS A 116 -16.214 10.438 -8.011 1.00 0.00 C ATOM 1844 CE LYS A 116 -16.435 11.687 -8.851 1.00 0.00 C ATOM 1845 NZ LYS A 116 -15.970 11.501 -10.254 1.00 0.00 N ATOM 0 H LYS A 116 -18.979 7.608 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.523 9.980 -4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -18.499 9.395 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -18.988 10.999 -7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.887 11.540 -6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.465 9.874 -5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -15.148 10.304 -7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -16.556 9.562 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -17.495 11.942 -8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -15.905 12.526 -8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.138 12.374 -10.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -14.953 11.282 -10.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -16.494 10.717 -10.692 1.00 0.00 H new ATOM 1859 N ALA A 117 -21.218 9.131 -4.630 1.00 0.00 N ATOM 1860 CA ALA A 117 -22.652 9.340 -4.470 1.00 0.00 C ATOM 1861 C ALA A 117 -22.942 10.300 -3.321 1.00 0.00 C ATOM 1862 O ALA A 117 -22.407 10.150 -2.223 1.00 0.00 O ATOM 1863 CB ALA A 117 -23.356 8.011 -4.240 1.00 0.00 C ATOM 0 H ALA A 117 -20.830 8.398 -4.037 1.00 0.00 H new ATOM 0 HA ALA A 117 -23.034 9.787 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -24.426 8.182 -4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -23.185 7.356 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -22.962 7.542 -3.338 1.00 0.00 H new ATOM 1869 N GLY A 118 -23.793 11.288 -3.581 1.00 0.00 N ATOM 1870 CA GLY A 118 -24.139 12.258 -2.559 1.00 0.00 C ATOM 1871 C GLY A 118 -25.626 12.549 -2.515 1.00 0.00 C ATOM 1872 O GLY A 118 -26.129 13.093 -1.533 1.00 0.00 O ATOM 0 H GLY A 118 -24.249 11.434 -4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -23.816 11.887 -1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -23.596 13.185 -2.743 1.00 0.00 H new TER 1876 GLY A 118