USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 999 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 16 THR OG1 : rot 41:sc= 0.379 USER MOD Set 1.2: A 17 GLN : amide:sc= 0.755 K(o=1.1,f=-0.84) USER MOD Single : A 1 MET CE :methyl -134:sc= -0.205 (180deg=-0.818) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -1.84 K(o=-1.8,f=-2.9!) USER MOD Single : A 12 CYS SG : rot 53:sc= 0.22 USER MOD Single : A 15 THR OG1 : rot -30:sc= -0.0313 USER MOD Single : A 18 SER OG : rot 92:sc= 1.28 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= 0.0831 (180deg=-0.114) USER MOD Single : A 31 ASN : amide:sc= -2.63! C(o=-2.6!,f=-5!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -4.71! C(o=-4.7!,f=-12!) USER MOD Single : A 42 CYS SG : rot -28:sc= -6.08! USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -129:sc= -0.868 (180deg=-3.11!) USER MOD Single : A 64 MET CE :methyl -107:sc= -0.543 (180deg=-2.78) USER MOD Single : A 79 SER OG : rot 180:sc= -0.511 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.556 X(o=-0.56,f=-0.55) USER MOD Single : A 84 MET CE :methyl -124:sc= -4.31! (180deg=-7.08!) USER MOD Single : A 89 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.019) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -2:sc= -0.922! USER MOD Single : A 106 ASN : amide:sc= 1.22 K(o=1.2,f=-0.038) USER MOD Single : A 107 HIS : no HD1:sc= 0.367 K(o=0.37,f=-1.6!) USER MOD Single : A 112 CYS SG : rot 170:sc= -5.1! USER MOD Single : A 116 LYS NZ :NH3+ -114:sc= -1.94 (180deg=-3.56!) USER MOD Single : A 118 HIS : no HD1:sc= -0.0861 K(o=-0.086,f=-0.67) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.059 18.296 -10.702 1.00 0.00 N ATOM 2 CA MET A 1 -21.538 16.916 -10.615 1.00 0.00 C ATOM 3 C MET A 1 -20.057 16.905 -10.964 1.00 0.00 C ATOM 4 O MET A 1 -19.675 17.172 -12.105 1.00 0.00 O ATOM 5 CB MET A 1 -22.328 15.995 -11.555 1.00 0.00 C ATOM 6 CG MET A 1 -22.060 14.507 -11.355 1.00 0.00 C ATOM 7 SD MET A 1 -20.479 13.960 -12.032 1.00 0.00 S ATOM 8 CE MET A 1 -20.732 14.264 -13.781 1.00 0.00 C ATOM 0 H1 MET A 1 -23.071 18.301 -10.463 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.543 18.905 -10.035 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.930 18.655 -11.669 1.00 0.00 H new ATOM 0 HA MET A 1 -21.658 16.547 -9.597 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.393 16.181 -11.415 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.091 16.259 -12.586 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.087 14.282 -10.289 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.863 13.936 -11.822 1.00 0.00 H new ATOM 0 HE1 MET A 1 -20.397 13.399 -14.353 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.791 14.437 -13.971 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.161 15.142 -14.084 1.00 0.00 H new ATOM 20 N SER A 2 -19.226 16.620 -9.977 1.00 0.00 N ATOM 21 CA SER A 2 -17.791 16.573 -10.180 1.00 0.00 C ATOM 22 C SER A 2 -17.234 15.266 -9.634 1.00 0.00 C ATOM 23 O SER A 2 -17.424 14.945 -8.460 1.00 0.00 O ATOM 24 CB SER A 2 -17.124 17.757 -9.477 1.00 0.00 C ATOM 25 OG SER A 2 -17.790 18.974 -9.778 1.00 0.00 O ATOM 0 H SER A 2 -19.524 16.417 -9.023 1.00 0.00 H new ATOM 0 HA SER A 2 -17.582 16.631 -11.248 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.129 17.593 -8.399 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.080 17.825 -9.784 1.00 0.00 H new ATOM 0 HG SER A 2 -17.345 19.714 -9.315 1.00 0.00 H new ATOM 31 N THR A 3 -16.572 14.504 -10.485 1.00 0.00 N ATOM 32 CA THR A 3 -15.948 13.271 -10.051 1.00 0.00 C ATOM 33 C THR A 3 -14.527 13.550 -9.575 1.00 0.00 C ATOM 34 O THR A 3 -14.279 13.622 -8.373 1.00 0.00 O ATOM 35 CB THR A 3 -15.940 12.222 -11.182 1.00 0.00 C ATOM 36 OG1 THR A 3 -17.262 12.092 -11.721 1.00 0.00 O ATOM 37 CG2 THR A 3 -15.461 10.869 -10.670 1.00 0.00 C ATOM 0 H THR A 3 -16.454 14.717 -11.476 1.00 0.00 H new ATOM 0 HA THR A 3 -16.530 12.864 -9.224 1.00 0.00 H new ATOM 0 HB THR A 3 -15.253 12.557 -11.959 1.00 0.00 H new ATOM 0 HG1 THR A 3 -17.258 11.427 -12.441 1.00 0.00 H new ATOM 0 HG21 THR A 3 -15.465 10.148 -11.488 1.00 0.00 H new ATOM 0 HG22 THR A 3 -14.449 10.966 -10.277 1.00 0.00 H new ATOM 0 HG23 THR A 3 -16.126 10.523 -9.878 1.00 0.00 H new ATOM 45 N THR A 4 -13.614 13.750 -10.531 1.00 0.00 N ATOM 46 CA THR A 4 -12.205 14.061 -10.245 1.00 0.00 C ATOM 47 C THR A 4 -11.630 13.223 -9.100 1.00 0.00 C ATOM 48 O THR A 4 -10.901 13.730 -8.245 1.00 0.00 O ATOM 49 CB THR A 4 -12.001 15.565 -9.953 1.00 0.00 C ATOM 50 OG1 THR A 4 -13.168 16.126 -9.332 1.00 0.00 O ATOM 51 CG2 THR A 4 -11.689 16.323 -11.234 1.00 0.00 C ATOM 0 H THR A 4 -13.829 13.701 -11.527 1.00 0.00 H new ATOM 0 HA THR A 4 -11.656 13.800 -11.150 1.00 0.00 H new ATOM 0 HB THR A 4 -11.157 15.661 -9.270 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.018 17.078 -9.154 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.549 17.380 -11.007 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.778 15.924 -11.680 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.516 16.209 -11.935 1.00 0.00 H new ATOM 59 N ALA A 5 -11.954 11.937 -9.103 1.00 0.00 N ATOM 60 CA ALA A 5 -11.448 11.020 -8.099 1.00 0.00 C ATOM 61 C ALA A 5 -10.348 10.158 -8.697 1.00 0.00 C ATOM 62 O ALA A 5 -10.600 9.299 -9.542 1.00 0.00 O ATOM 63 CB ALA A 5 -12.569 10.154 -7.548 1.00 0.00 C ATOM 0 H ALA A 5 -12.568 11.507 -9.794 1.00 0.00 H new ATOM 0 HA ALA A 5 -11.033 11.597 -7.272 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -12.168 9.474 -6.797 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -13.329 10.789 -7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -13.015 9.577 -8.358 1.00 0.00 H new ATOM 69 N TYR A 6 -9.128 10.406 -8.264 1.00 0.00 N ATOM 70 CA TYR A 6 -7.969 9.721 -8.807 1.00 0.00 C ATOM 71 C TYR A 6 -7.664 8.472 -8.000 1.00 0.00 C ATOM 72 O TYR A 6 -7.850 8.461 -6.787 1.00 0.00 O ATOM 73 CB TYR A 6 -6.762 10.656 -8.821 1.00 0.00 C ATOM 74 CG TYR A 6 -7.010 11.927 -9.598 1.00 0.00 C ATOM 75 CD1 TYR A 6 -7.196 11.892 -10.973 1.00 0.00 C ATOM 76 CD2 TYR A 6 -7.064 13.158 -8.956 1.00 0.00 C ATOM 77 CE1 TYR A 6 -7.430 13.048 -11.690 1.00 0.00 C ATOM 78 CE2 TYR A 6 -7.297 14.320 -9.664 1.00 0.00 C ATOM 79 CZ TYR A 6 -7.480 14.260 -11.031 1.00 0.00 C ATOM 80 OH TYR A 6 -7.713 15.414 -11.744 1.00 0.00 O ATOM 0 H TYR A 6 -8.911 11.082 -7.532 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.190 9.422 -9.832 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.494 10.910 -7.795 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.909 10.133 -9.253 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.157 10.945 -11.490 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.921 13.207 -7.887 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.573 13.005 -12.760 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.336 15.270 -9.152 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.719 16.180 -11.133 1.00 0.00 H new ATOM 90 N GLN A 7 -7.245 7.418 -8.683 1.00 0.00 N ATOM 91 CA GLN A 7 -6.882 6.164 -8.033 1.00 0.00 C ATOM 92 C GLN A 7 -5.360 6.036 -7.975 1.00 0.00 C ATOM 93 O GLN A 7 -4.753 5.451 -8.870 1.00 0.00 O ATOM 94 CB GLN A 7 -7.473 4.988 -8.823 1.00 0.00 C ATOM 95 CG GLN A 7 -8.272 3.990 -7.993 1.00 0.00 C ATOM 96 CD GLN A 7 -7.432 3.216 -6.991 1.00 0.00 C ATOM 97 OE1 GLN A 7 -7.929 2.795 -5.950 1.00 0.00 O ATOM 98 NE2 GLN A 7 -6.158 3.020 -7.295 1.00 0.00 N ATOM 0 H GLN A 7 -7.147 7.405 -9.698 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.280 6.153 -7.018 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.118 5.384 -9.607 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.660 4.457 -9.318 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.059 4.523 -7.459 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.763 3.285 -8.663 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.780 3.385 -8.169 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.554 2.504 -6.655 1.00 0.00 H new ATOM 107 N PRO A 8 -4.719 6.611 -6.942 1.00 0.00 N ATOM 108 CA PRO A 8 -3.268 6.607 -6.815 1.00 0.00 C ATOM 109 C PRO A 8 -2.747 5.301 -6.239 1.00 0.00 C ATOM 110 O PRO A 8 -1.941 4.605 -6.866 1.00 0.00 O ATOM 111 CB PRO A 8 -2.977 7.759 -5.837 1.00 0.00 C ATOM 112 CG PRO A 8 -4.308 8.347 -5.480 1.00 0.00 C ATOM 113 CD PRO A 8 -5.340 7.311 -5.821 1.00 0.00 C ATOM 0 HA PRO A 8 -2.783 6.720 -7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.461 7.395 -4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.331 8.507 -6.297 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.348 8.600 -4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.486 9.268 -6.035 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.537 6.642 -4.983 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.292 7.762 -6.100 1.00 0.00 H new ATOM 121 N ILE A 9 -3.209 4.990 -5.034 1.00 0.00 N ATOM 122 CA ILE A 9 -2.794 3.781 -4.342 1.00 0.00 C ATOM 123 C ILE A 9 -3.866 2.703 -4.506 1.00 0.00 C ATOM 124 O ILE A 9 -5.063 2.992 -4.422 1.00 0.00 O ATOM 125 CB ILE A 9 -2.536 4.039 -2.837 1.00 0.00 C ATOM 126 CG1 ILE A 9 -2.277 5.529 -2.561 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.349 3.213 -2.364 1.00 0.00 C ATOM 128 CD1 ILE A 9 -0.996 6.061 -3.173 1.00 0.00 C ATOM 0 H ILE A 9 -3.875 5.563 -4.515 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.857 3.446 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.429 3.742 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.117 6.109 -2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.244 5.687 -1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.174 3.400 -1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.559 2.154 -2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.462 3.492 -2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.889 7.118 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.145 5.509 -2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.032 5.938 -4.255 1.00 0.00 H new ATOM 140 N ALA A 10 -3.427 1.472 -4.737 1.00 0.00 N ATOM 141 CA ALA A 10 -4.318 0.374 -5.120 1.00 0.00 C ATOM 142 C ALA A 10 -5.368 0.056 -4.059 1.00 0.00 C ATOM 143 O ALA A 10 -6.569 0.057 -4.340 1.00 0.00 O ATOM 144 CB ALA A 10 -3.500 -0.867 -5.421 1.00 0.00 C ATOM 0 H ALA A 10 -2.446 1.203 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.857 0.699 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.166 -1.682 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.811 -0.659 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.934 -1.154 -4.535 1.00 0.00 H new ATOM 150 N GLU A 11 -4.917 -0.237 -2.854 1.00 0.00 N ATOM 151 CA GLU A 11 -5.818 -0.633 -1.777 1.00 0.00 C ATOM 152 C GLU A 11 -6.522 0.581 -1.190 1.00 0.00 C ATOM 153 O GLU A 11 -7.722 0.535 -0.937 1.00 0.00 O ATOM 154 CB GLU A 11 -5.070 -1.421 -0.684 1.00 0.00 C ATOM 155 CG GLU A 11 -4.010 -0.631 0.076 1.00 0.00 C ATOM 156 CD GLU A 11 -2.952 -0.045 -0.828 1.00 0.00 C ATOM 157 OE1 GLU A 11 -2.041 -0.781 -1.240 1.00 0.00 O ATOM 158 OE2 GLU A 11 -3.066 1.149 -1.161 1.00 0.00 O ATOM 0 H GLU A 11 -3.932 -0.210 -2.592 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.575 -1.293 -2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.800 -1.801 0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.594 -2.287 -1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.492 0.174 0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.534 -1.283 0.809 1.00 0.00 H new ATOM 165 N CYS A 12 -5.772 1.664 -1.016 1.00 0.00 N ATOM 166 CA CYS A 12 -6.287 2.890 -0.418 1.00 0.00 C ATOM 167 C CYS A 12 -7.563 3.368 -1.108 1.00 0.00 C ATOM 168 O CYS A 12 -8.535 3.732 -0.443 1.00 0.00 O ATOM 169 CB CYS A 12 -5.221 3.976 -0.472 1.00 0.00 C ATOM 170 SG CYS A 12 -3.690 3.546 0.383 1.00 0.00 S ATOM 0 H CYS A 12 -4.790 1.716 -1.286 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.539 2.676 0.621 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.993 4.195 -1.515 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.625 4.889 -0.035 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.259 2.399 -0.050 1.00 0.00 H new ATOM 176 N GLY A 13 -7.560 3.374 -2.433 1.00 0.00 N ATOM 177 CA GLY A 13 -8.758 3.725 -3.159 1.00 0.00 C ATOM 178 C GLY A 13 -8.667 5.078 -3.832 1.00 0.00 C ATOM 179 O GLY A 13 -7.577 5.537 -4.182 1.00 0.00 O ATOM 0 H GLY A 13 -6.754 3.143 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.956 2.963 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.605 3.723 -2.473 1.00 0.00 H new ATOM 183 N ALA A 14 -9.812 5.722 -3.997 1.00 0.00 N ATOM 184 CA ALA A 14 -9.888 6.975 -4.727 1.00 0.00 C ATOM 185 C ALA A 14 -9.561 8.163 -3.833 1.00 0.00 C ATOM 186 O ALA A 14 -9.983 8.229 -2.677 1.00 0.00 O ATOM 187 CB ALA A 14 -11.265 7.140 -5.346 1.00 0.00 C ATOM 0 H ALA A 14 -10.706 5.394 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 14 -9.143 6.945 -5.522 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.309 8.083 -5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.456 6.316 -6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.020 7.140 -4.560 1.00 0.00 H new ATOM 193 N THR A 15 -8.799 9.091 -4.379 1.00 0.00 N ATOM 194 CA THR A 15 -8.431 10.305 -3.678 1.00 0.00 C ATOM 195 C THR A 15 -8.969 11.517 -4.435 1.00 0.00 C ATOM 196 O THR A 15 -8.818 11.613 -5.654 1.00 0.00 O ATOM 197 CB THR A 15 -6.900 10.406 -3.540 1.00 0.00 C ATOM 198 OG1 THR A 15 -6.384 9.163 -3.051 1.00 0.00 O ATOM 199 CG2 THR A 15 -6.507 11.528 -2.590 1.00 0.00 C ATOM 0 H THR A 15 -8.417 9.024 -5.323 1.00 0.00 H new ATOM 0 HA THR A 15 -8.866 10.281 -2.679 1.00 0.00 H new ATOM 0 HB THR A 15 -6.480 10.626 -4.521 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.056 8.730 -2.484 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.421 11.575 -2.512 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.885 12.477 -2.971 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.933 11.337 -1.605 1.00 0.00 H new ATOM 207 N THR A 16 -9.606 12.432 -3.721 1.00 0.00 N ATOM 208 CA THR A 16 -10.241 13.584 -4.341 1.00 0.00 C ATOM 209 C THR A 16 -9.305 14.793 -4.414 1.00 0.00 C ATOM 210 O THR A 16 -9.743 15.913 -4.674 1.00 0.00 O ATOM 211 CB THR A 16 -11.521 13.962 -3.575 1.00 0.00 C ATOM 212 OG1 THR A 16 -11.340 13.713 -2.171 1.00 0.00 O ATOM 213 CG2 THR A 16 -12.713 13.167 -4.084 1.00 0.00 C ATOM 0 H THR A 16 -9.697 12.398 -2.706 1.00 0.00 H new ATOM 0 HA THR A 16 -10.493 13.300 -5.363 1.00 0.00 H new ATOM 0 HB THR A 16 -11.717 15.022 -3.737 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.439 13.990 -1.903 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.605 13.452 -3.527 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.864 13.376 -5.143 1.00 0.00 H new ATOM 0 HG23 THR A 16 -12.525 12.102 -3.948 1.00 0.00 H new ATOM 221 N GLN A 17 -8.016 14.557 -4.211 1.00 0.00 N ATOM 222 CA GLN A 17 -7.031 15.630 -4.267 1.00 0.00 C ATOM 223 C GLN A 17 -6.290 15.602 -5.601 1.00 0.00 C ATOM 224 O GLN A 17 -5.924 14.536 -6.097 1.00 0.00 O ATOM 225 CB GLN A 17 -6.043 15.553 -3.094 1.00 0.00 C ATOM 226 CG GLN A 17 -6.659 15.913 -1.745 1.00 0.00 C ATOM 227 CD GLN A 17 -7.319 14.733 -1.059 1.00 0.00 C ATOM 228 OE1 GLN A 17 -8.487 14.427 -1.299 1.00 0.00 O ATOM 229 NE2 GLN A 17 -6.586 14.087 -0.166 1.00 0.00 N ATOM 0 H GLN A 17 -7.628 13.636 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.564 16.577 -4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.636 14.543 -3.039 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -5.206 16.223 -3.291 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.883 16.317 -1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.397 16.702 -1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.621 14.372 0.004 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.986 13.305 0.352 1.00 0.00 H new ATOM 238 N SER A 18 -6.059 16.782 -6.160 1.00 0.00 N ATOM 239 CA SER A 18 -5.540 16.925 -7.518 1.00 0.00 C ATOM 240 C SER A 18 -4.152 16.308 -7.700 1.00 0.00 C ATOM 241 O SER A 18 -3.856 15.734 -8.749 1.00 0.00 O ATOM 242 CB SER A 18 -5.509 18.409 -7.882 1.00 0.00 C ATOM 243 OG SER A 18 -5.016 19.180 -6.796 1.00 0.00 O ATOM 0 H SER A 18 -6.226 17.670 -5.686 1.00 0.00 H new ATOM 0 HA SER A 18 -6.207 16.378 -8.185 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.879 18.561 -8.758 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.511 18.745 -8.148 1.00 0.00 H new ATOM 0 HG SER A 18 -4.046 19.289 -6.886 1.00 0.00 H new ATOM 249 N GLU A 19 -3.311 16.411 -6.677 1.00 0.00 N ATOM 250 CA GLU A 19 -1.930 15.933 -6.771 1.00 0.00 C ATOM 251 C GLU A 19 -1.870 14.419 -6.959 1.00 0.00 C ATOM 252 O GLU A 19 -0.881 13.889 -7.462 1.00 0.00 O ATOM 253 CB GLU A 19 -1.127 16.329 -5.529 1.00 0.00 C ATOM 254 CG GLU A 19 -0.722 17.796 -5.486 1.00 0.00 C ATOM 255 CD GLU A 19 -1.901 18.737 -5.347 1.00 0.00 C ATOM 256 OE1 GLU A 19 -2.323 18.997 -4.204 1.00 0.00 O ATOM 257 OE2 GLU A 19 -2.409 19.221 -6.380 1.00 0.00 O ATOM 0 H GLU A 19 -3.557 16.819 -5.775 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.488 16.407 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.717 16.101 -4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.228 15.714 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.039 17.953 -4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.175 18.042 -6.396 1.00 0.00 H new ATOM 264 N ALA A 20 -2.941 13.730 -6.583 1.00 0.00 N ATOM 265 CA ALA A 20 -2.974 12.271 -6.637 1.00 0.00 C ATOM 266 C ALA A 20 -2.805 11.756 -8.065 1.00 0.00 C ATOM 267 O ALA A 20 -2.294 10.659 -8.279 1.00 0.00 O ATOM 268 CB ALA A 20 -4.273 11.754 -6.038 1.00 0.00 C ATOM 0 H ALA A 20 -3.800 14.158 -6.237 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.135 11.896 -6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.287 10.665 -6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.347 12.075 -4.999 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.117 12.151 -6.602 1.00 0.00 H new ATOM 274 N ALA A 21 -3.209 12.569 -9.035 1.00 0.00 N ATOM 275 CA ALA A 21 -3.144 12.187 -10.442 1.00 0.00 C ATOM 276 C ALA A 21 -1.705 11.955 -10.894 1.00 0.00 C ATOM 277 O ALA A 21 -1.448 11.169 -11.805 1.00 0.00 O ATOM 278 CB ALA A 21 -3.795 13.256 -11.306 1.00 0.00 C ATOM 0 H ALA A 21 -3.587 13.502 -8.872 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.687 11.249 -10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.740 12.960 -12.354 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.839 13.372 -11.016 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.273 14.203 -11.169 1.00 0.00 H new ATOM 284 N ALA A 22 -0.768 12.629 -10.246 1.00 0.00 N ATOM 285 CA ALA A 22 0.631 12.538 -10.633 1.00 0.00 C ATOM 286 C ALA A 22 1.363 11.474 -9.824 1.00 0.00 C ATOM 287 O ALA A 22 2.466 11.061 -10.180 1.00 0.00 O ATOM 288 CB ALA A 22 1.312 13.887 -10.468 1.00 0.00 C ATOM 0 H ALA A 22 -0.950 13.243 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 22 0.670 12.246 -11.682 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.359 13.805 -10.761 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.816 14.625 -11.098 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.251 14.200 -9.426 1.00 0.00 H new ATOM 294 N TYR A 23 0.743 11.015 -8.744 1.00 0.00 N ATOM 295 CA TYR A 23 1.414 10.094 -7.837 1.00 0.00 C ATOM 296 C TYR A 23 0.761 8.718 -7.845 1.00 0.00 C ATOM 297 O TYR A 23 1.125 7.842 -7.059 1.00 0.00 O ATOM 298 CB TYR A 23 1.459 10.681 -6.426 1.00 0.00 C ATOM 299 CG TYR A 23 2.183 12.008 -6.379 1.00 0.00 C ATOM 300 CD1 TYR A 23 3.480 12.125 -6.863 1.00 0.00 C ATOM 301 CD2 TYR A 23 1.566 13.146 -5.876 1.00 0.00 C ATOM 302 CE1 TYR A 23 4.139 13.338 -6.849 1.00 0.00 C ATOM 303 CE2 TYR A 23 2.221 14.362 -5.854 1.00 0.00 C ATOM 304 CZ TYR A 23 3.508 14.453 -6.344 1.00 0.00 C ATOM 305 OH TYR A 23 4.165 15.663 -6.339 1.00 0.00 O ATOM 0 H TYR A 23 -0.210 11.261 -8.477 1.00 0.00 H new ATOM 0 HA TYR A 23 2.437 9.960 -8.188 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.442 10.811 -6.057 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.953 9.976 -5.757 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.981 11.253 -7.257 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.557 13.079 -5.496 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.146 13.412 -7.233 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.729 15.237 -5.456 1.00 0.00 H new ATOM 0 HH TYR A 23 3.583 16.350 -5.951 1.00 0.00 H new ATOM 315 N GLN A 24 -0.194 8.531 -8.746 1.00 0.00 N ATOM 316 CA GLN A 24 -0.771 7.215 -8.976 1.00 0.00 C ATOM 317 C GLN A 24 0.280 6.304 -9.591 1.00 0.00 C ATOM 318 O GLN A 24 1.073 6.748 -10.424 1.00 0.00 O ATOM 319 CB GLN A 24 -2.001 7.310 -9.887 1.00 0.00 C ATOM 320 CG GLN A 24 -1.741 8.017 -11.207 1.00 0.00 C ATOM 321 CD GLN A 24 -2.953 8.020 -12.117 1.00 0.00 C ATOM 322 OE1 GLN A 24 -3.790 8.923 -12.061 1.00 0.00 O ATOM 323 NE2 GLN A 24 -3.050 7.017 -12.976 1.00 0.00 N ATOM 0 H GLN A 24 -0.584 9.272 -9.328 1.00 0.00 H new ATOM 0 HA GLN A 24 -1.095 6.798 -8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.367 6.304 -10.092 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.794 7.836 -9.355 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.437 9.045 -11.010 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.910 7.531 -11.717 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.337 6.288 -12.992 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.838 6.973 -13.622 1.00 0.00 H new ATOM 332 N LYS A 25 0.305 5.043 -9.180 1.00 0.00 N ATOM 333 CA LYS A 25 1.351 4.135 -9.630 1.00 0.00 C ATOM 334 C LYS A 25 0.989 2.691 -9.315 1.00 0.00 C ATOM 335 O LYS A 25 -0.081 2.419 -8.773 1.00 0.00 O ATOM 336 CB LYS A 25 2.676 4.513 -8.954 1.00 0.00 C ATOM 337 CG LYS A 25 3.832 4.699 -9.924 1.00 0.00 C ATOM 338 CD LYS A 25 4.925 5.569 -9.320 1.00 0.00 C ATOM 339 CE LYS A 25 4.430 6.991 -9.077 1.00 0.00 C ATOM 340 NZ LYS A 25 4.145 7.715 -10.350 1.00 0.00 N ATOM 0 H LYS A 25 -0.377 4.630 -8.544 1.00 0.00 H new ATOM 0 HA LYS A 25 1.456 4.225 -10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.535 5.436 -8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.940 3.738 -8.235 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.245 3.726 -10.192 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.468 5.155 -10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.262 5.133 -8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.786 5.591 -9.988 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.526 6.960 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.179 7.542 -8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.310 8.733 -10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.772 7.359 -11.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.154 7.558 -10.624 1.00 0.00 H new ATOM 354 N ARG A 26 1.879 1.771 -9.668 1.00 0.00 N ATOM 355 CA ARG A 26 1.663 0.357 -9.401 1.00 0.00 C ATOM 356 C ARG A 26 1.952 0.034 -7.940 1.00 0.00 C ATOM 357 O ARG A 26 3.022 -0.465 -7.591 1.00 0.00 O ATOM 358 CB ARG A 26 2.519 -0.514 -10.331 1.00 0.00 C ATOM 359 CG ARG A 26 1.979 -0.595 -11.753 1.00 0.00 C ATOM 360 CD ARG A 26 2.917 -1.361 -12.676 1.00 0.00 C ATOM 361 NE ARG A 26 2.251 -1.766 -13.915 1.00 0.00 N ATOM 362 CZ ARG A 26 2.651 -1.417 -15.138 1.00 0.00 C ATOM 363 NH1 ARG A 26 3.701 -0.621 -15.303 1.00 0.00 N ATOM 364 NH2 ARG A 26 1.994 -1.868 -16.196 1.00 0.00 N ATOM 0 H ARG A 26 2.758 1.981 -10.141 1.00 0.00 H new ATOM 0 HA ARG A 26 0.615 0.132 -9.599 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.533 -0.115 -10.358 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.583 -1.520 -9.917 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.003 -1.081 -11.743 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.830 0.412 -12.142 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.780 -0.739 -12.914 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.293 -2.244 -12.160 1.00 0.00 H new ATOM 0 HE ARG A 26 1.423 -2.357 -13.837 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.209 -0.271 -14.490 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.000 -0.359 -16.242 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.187 -2.479 -16.073 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.295 -1.604 -17.134 1.00 0.00 H new ATOM 378 N TRP A 27 0.998 0.378 -7.096 1.00 0.00 N ATOM 379 CA TRP A 27 1.075 0.102 -5.672 1.00 0.00 C ATOM 380 C TRP A 27 0.213 -1.098 -5.329 1.00 0.00 C ATOM 381 O TRP A 27 -0.644 -1.479 -6.127 1.00 0.00 O ATOM 382 CB TRP A 27 0.583 1.316 -4.889 1.00 0.00 C ATOM 383 CG TRP A 27 1.630 1.917 -4.015 1.00 0.00 C ATOM 384 CD1 TRP A 27 2.328 1.282 -3.038 1.00 0.00 C ATOM 385 CD2 TRP A 27 2.080 3.274 -4.025 1.00 0.00 C ATOM 386 NE1 TRP A 27 3.210 2.160 -2.444 1.00 0.00 N ATOM 387 CE2 TRP A 27 3.070 3.393 -3.032 1.00 0.00 C ATOM 388 CE3 TRP A 27 1.742 4.396 -4.782 1.00 0.00 C ATOM 389 CZ2 TRP A 27 3.727 4.599 -2.779 1.00 0.00 C ATOM 390 CZ3 TRP A 27 2.391 5.590 -4.531 1.00 0.00 C ATOM 391 CH2 TRP A 27 3.375 5.681 -3.538 1.00 0.00 C ATOM 0 H TRP A 27 0.144 0.859 -7.379 1.00 0.00 H new ATOM 0 HA TRP A 27 2.111 -0.111 -5.407 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.227 2.071 -5.589 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.269 1.023 -4.275 1.00 0.00 H new ATOM 0 HD1 TRP A 27 2.210 0.243 -2.767 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.860 1.931 -1.692 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.986 4.333 -5.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.484 4.674 -2.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.136 6.466 -5.109 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.867 6.627 -3.368 1.00 0.00 H new ATOM 402 N LEU A 28 0.447 -1.694 -4.160 1.00 0.00 N ATOM 403 CA LEU A 28 -0.422 -2.746 -3.645 1.00 0.00 C ATOM 404 C LEU A 28 0.061 -3.247 -2.289 1.00 0.00 C ATOM 405 O LEU A 28 1.082 -2.801 -1.771 1.00 0.00 O ATOM 406 CB LEU A 28 -0.488 -3.929 -4.612 1.00 0.00 C ATOM 407 CG LEU A 28 0.773 -4.793 -4.676 1.00 0.00 C ATOM 408 CD1 LEU A 28 0.401 -6.264 -4.644 1.00 0.00 C ATOM 409 CD2 LEU A 28 1.570 -4.485 -5.931 1.00 0.00 C ATOM 0 H LEU A 28 1.233 -1.464 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.415 -2.311 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.328 -4.562 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.699 -3.549 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 28 1.392 -4.564 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.306 -6.869 -4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.136 -6.484 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.235 -6.497 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.463 -5.110 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.958 -4.689 -6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.862 -3.435 -5.928 1.00 0.00 H new ATOM 421 N VAL A 29 -0.686 -4.184 -1.729 1.00 0.00 N ATOM 422 CA VAL A 29 -0.297 -4.864 -0.507 1.00 0.00 C ATOM 423 C VAL A 29 -0.004 -6.323 -0.823 1.00 0.00 C ATOM 424 O VAL A 29 -0.614 -6.895 -1.718 1.00 0.00 O ATOM 425 CB VAL A 29 -1.409 -4.774 0.562 1.00 0.00 C ATOM 426 CG1 VAL A 29 -1.003 -5.480 1.843 1.00 0.00 C ATOM 427 CG2 VAL A 29 -1.752 -3.324 0.845 1.00 0.00 C ATOM 0 H VAL A 29 -1.580 -4.494 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 29 0.594 -4.380 -0.106 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.293 -5.276 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.807 -5.398 2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.809 -6.532 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.101 -5.018 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.537 -3.276 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.866 -2.805 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.100 -2.847 -0.071 1.00 0.00 H new ATOM 437 N ALA A 30 0.947 -6.918 -0.125 1.00 0.00 N ATOM 438 CA ALA A 30 1.243 -8.327 -0.313 1.00 0.00 C ATOM 439 C ALA A 30 1.205 -9.053 1.015 1.00 0.00 C ATOM 440 O ALA A 30 1.553 -8.479 2.049 1.00 0.00 O ATOM 441 CB ALA A 30 2.593 -8.513 -0.975 1.00 0.00 C ATOM 0 H ALA A 30 1.525 -6.450 0.574 1.00 0.00 H new ATOM 0 HA ALA A 30 0.482 -8.750 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.791 -9.577 -1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.591 -8.023 -1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.369 -8.073 -0.349 1.00 0.00 H new ATOM 447 N ASN A 31 0.787 -10.309 0.985 1.00 0.00 N ATOM 448 CA ASN A 31 0.656 -11.089 2.206 1.00 0.00 C ATOM 449 C ASN A 31 1.975 -11.764 2.569 1.00 0.00 C ATOM 450 O ASN A 31 2.977 -11.609 1.868 1.00 0.00 O ATOM 451 CB ASN A 31 -0.468 -12.128 2.069 1.00 0.00 C ATOM 452 CG ASN A 31 -0.144 -13.247 1.095 1.00 0.00 C ATOM 453 OD1 ASN A 31 -0.273 -13.083 -0.115 1.00 0.00 O ATOM 454 ND2 ASN A 31 0.238 -14.405 1.616 1.00 0.00 N ATOM 0 H ASN A 31 0.534 -10.808 0.132 1.00 0.00 H new ATOM 0 HA ASN A 31 0.394 -10.407 3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.675 -12.559 3.049 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.379 -11.625 1.743 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.436 -15.198 1.006 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.334 -14.503 2.627 1.00 0.00 H new ATOM 461 N ASP A 32 1.945 -12.507 3.670 1.00 0.00 N ATOM 462 CA ASP A 32 3.113 -13.196 4.232 1.00 0.00 C ATOM 463 C ASP A 32 3.936 -13.949 3.184 1.00 0.00 C ATOM 464 O ASP A 32 5.162 -13.996 3.268 1.00 0.00 O ATOM 465 CB ASP A 32 2.655 -14.184 5.308 1.00 0.00 C ATOM 466 CG ASP A 32 1.787 -15.290 4.738 1.00 0.00 C ATOM 467 OD1 ASP A 32 0.681 -14.983 4.236 1.00 0.00 O ATOM 468 OD2 ASP A 32 2.218 -16.461 4.758 1.00 0.00 O ATOM 0 H ASP A 32 1.093 -12.653 4.212 1.00 0.00 H new ATOM 0 HA ASP A 32 3.757 -12.424 4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.528 -14.622 5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.099 -13.648 6.078 1.00 0.00 H new ATOM 473 N ALA A 33 3.264 -14.527 2.201 1.00 0.00 N ATOM 474 CA ALA A 33 3.928 -15.368 1.215 1.00 0.00 C ATOM 475 C ALA A 33 4.637 -14.547 0.143 1.00 0.00 C ATOM 476 O ALA A 33 5.262 -15.106 -0.757 1.00 0.00 O ATOM 477 CB ALA A 33 2.920 -16.305 0.573 1.00 0.00 C ATOM 0 H ALA A 33 2.258 -14.430 2.064 1.00 0.00 H new ATOM 0 HA ALA A 33 4.689 -15.948 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.423 -16.931 -0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.470 -16.936 1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.142 -15.721 0.082 1.00 0.00 H new ATOM 483 N GLY A 34 4.554 -13.228 0.241 1.00 0.00 N ATOM 484 CA GLY A 34 5.096 -12.388 -0.802 1.00 0.00 C ATOM 485 C GLY A 34 4.281 -12.520 -2.065 1.00 0.00 C ATOM 486 O GLY A 34 4.823 -12.684 -3.160 1.00 0.00 O ATOM 0 H GLY A 34 4.124 -12.729 1.020 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.102 -11.349 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.131 -12.666 -1.000 1.00 0.00 H new ATOM 490 N GLN A 35 2.968 -12.475 -1.895 1.00 0.00 N ATOM 491 CA GLN A 35 2.042 -12.641 -2.997 1.00 0.00 C ATOM 492 C GLN A 35 1.142 -11.416 -3.122 1.00 0.00 C ATOM 493 O GLN A 35 0.724 -10.838 -2.113 1.00 0.00 O ATOM 494 CB GLN A 35 1.200 -13.900 -2.783 1.00 0.00 C ATOM 495 CG GLN A 35 0.139 -14.117 -3.847 1.00 0.00 C ATOM 496 CD GLN A 35 -0.767 -15.291 -3.537 1.00 0.00 C ATOM 497 OE1 GLN A 35 -0.502 -16.422 -3.940 1.00 0.00 O ATOM 498 NE2 GLN A 35 -1.838 -15.029 -2.806 1.00 0.00 N ATOM 0 H GLN A 35 2.519 -12.323 -0.992 1.00 0.00 H new ATOM 0 HA GLN A 35 2.609 -12.748 -3.922 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.860 -14.767 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.716 -13.841 -1.808 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.463 -13.214 -3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.623 -14.281 -4.810 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.021 -14.076 -2.492 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.481 -15.780 -2.556 1.00 0.00 H new ATOM 507 N TRP A 36 0.864 -11.034 -4.363 1.00 0.00 N ATOM 508 CA TRP A 36 0.026 -9.877 -4.669 1.00 0.00 C ATOM 509 C TRP A 36 -1.364 -9.992 -4.045 1.00 0.00 C ATOM 510 O TRP A 36 -2.081 -10.968 -4.270 1.00 0.00 O ATOM 511 CB TRP A 36 -0.105 -9.724 -6.184 1.00 0.00 C ATOM 512 CG TRP A 36 0.978 -8.902 -6.810 1.00 0.00 C ATOM 513 CD1 TRP A 36 2.323 -9.035 -6.635 1.00 0.00 C ATOM 514 CD2 TRP A 36 0.799 -7.815 -7.723 1.00 0.00 C ATOM 515 NE1 TRP A 36 2.992 -8.086 -7.370 1.00 0.00 N ATOM 516 CE2 TRP A 36 2.075 -7.328 -8.051 1.00 0.00 C ATOM 517 CE3 TRP A 36 -0.322 -7.207 -8.292 1.00 0.00 C ATOM 518 CZ2 TRP A 36 2.262 -6.258 -8.921 1.00 0.00 C ATOM 519 CZ3 TRP A 36 -0.137 -6.148 -9.156 1.00 0.00 C ATOM 520 CH2 TRP A 36 1.146 -5.683 -9.465 1.00 0.00 C ATOM 0 H TRP A 36 1.214 -11.519 -5.189 1.00 0.00 H new ATOM 0 HA TRP A 36 0.509 -8.998 -4.241 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.105 -10.714 -6.640 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.069 -9.269 -6.411 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.795 -9.778 -6.009 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.004 -7.965 -7.403 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.316 -7.560 -8.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.251 -5.895 -9.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.997 -5.670 -9.601 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.258 -4.853 -10.147 1.00 0.00 H new ATOM 531 N LEU A 37 -1.733 -8.979 -3.272 1.00 0.00 N ATOM 532 CA LEU A 37 -3.042 -8.912 -2.637 1.00 0.00 C ATOM 533 C LEU A 37 -3.824 -7.745 -3.250 1.00 0.00 C ATOM 534 O LEU A 37 -3.287 -6.646 -3.391 1.00 0.00 O ATOM 535 CB LEU A 37 -2.856 -8.707 -1.130 1.00 0.00 C ATOM 536 CG LEU A 37 -3.933 -9.296 -0.225 1.00 0.00 C ATOM 537 CD1 LEU A 37 -4.001 -10.809 -0.385 1.00 0.00 C ATOM 538 CD2 LEU A 37 -3.644 -8.922 1.222 1.00 0.00 C ATOM 0 H LEU A 37 -1.133 -8.180 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.597 -9.836 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.897 -9.137 -0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.796 -7.636 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.901 -8.885 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.775 -11.210 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.237 -11.055 -1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.039 -11.247 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.414 -9.344 1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.671 -9.317 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.640 -7.837 1.323 1.00 0.00 H new ATOM 550 N ASN A 38 -5.073 -7.976 -3.634 1.00 0.00 N ATOM 551 CA ASN A 38 -5.842 -6.955 -4.346 1.00 0.00 C ATOM 552 C ASN A 38 -7.210 -6.740 -3.734 1.00 0.00 C ATOM 553 O ASN A 38 -7.555 -7.374 -2.765 1.00 0.00 O ATOM 554 CB ASN A 38 -6.009 -7.341 -5.809 1.00 0.00 C ATOM 555 CG ASN A 38 -7.013 -8.455 -6.038 1.00 0.00 C ATOM 556 OD1 ASN A 38 -7.183 -9.334 -5.209 1.00 0.00 O ATOM 557 ND2 ASN A 38 -7.699 -8.411 -7.167 1.00 0.00 N ATOM 0 H ASN A 38 -5.573 -8.849 -3.469 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.281 -6.024 -4.265 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.321 -6.462 -6.374 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.042 -7.649 -6.206 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.397 -9.127 -7.368 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.530 -7.661 -7.837 1.00 0.00 H new ATOM 564 N ARG A 39 -8.003 -5.875 -4.350 1.00 0.00 N ATOM 565 CA ARG A 39 -9.319 -5.512 -3.825 1.00 0.00 C ATOM 566 C ARG A 39 -10.274 -6.712 -3.818 1.00 0.00 C ATOM 567 O ARG A 39 -11.321 -6.679 -3.171 1.00 0.00 O ATOM 568 CB ARG A 39 -9.911 -4.381 -4.667 1.00 0.00 C ATOM 569 CG ARG A 39 -8.961 -3.207 -4.856 1.00 0.00 C ATOM 570 CD ARG A 39 -9.145 -2.138 -3.789 1.00 0.00 C ATOM 571 NE ARG A 39 -10.391 -1.395 -3.977 1.00 0.00 N ATOM 572 CZ ARG A 39 -10.447 -0.096 -4.287 1.00 0.00 C ATOM 573 NH1 ARG A 39 -9.327 0.609 -4.437 1.00 0.00 N ATOM 574 NH2 ARG A 39 -11.628 0.493 -4.448 1.00 0.00 N ATOM 0 H ARG A 39 -7.758 -5.406 -5.222 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.194 -5.180 -2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.190 -4.774 -5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.826 -4.026 -4.193 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.933 -3.567 -4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.122 -2.767 -5.840 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.144 -2.604 -2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.302 -1.448 -3.816 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.271 -1.899 -3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.420 0.158 -4.315 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.376 1.600 -4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.486 -0.046 -4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.676 1.484 -4.685 1.00 0.00 H new ATOM 588 N ASP A 40 -9.915 -7.767 -4.541 1.00 0.00 N ATOM 589 CA ASP A 40 -10.723 -8.981 -4.572 1.00 0.00 C ATOM 590 C ASP A 40 -10.243 -9.979 -3.528 1.00 0.00 C ATOM 591 O ASP A 40 -11.028 -10.769 -3.005 1.00 0.00 O ATOM 592 CB ASP A 40 -10.698 -9.622 -5.962 1.00 0.00 C ATOM 593 CG ASP A 40 -11.542 -8.864 -6.964 1.00 0.00 C ATOM 594 OD1 ASP A 40 -12.780 -9.031 -6.946 1.00 0.00 O ATOM 595 OD2 ASP A 40 -10.977 -8.095 -7.771 1.00 0.00 O ATOM 0 H ASP A 40 -9.071 -7.806 -5.113 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.750 -8.700 -4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.669 -9.668 -6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.057 -10.649 -5.892 1.00 0.00 H new ATOM 600 N LEU A 41 -8.953 -9.940 -3.225 1.00 0.00 N ATOM 601 CA LEU A 41 -8.380 -10.812 -2.209 1.00 0.00 C ATOM 602 C LEU A 41 -8.470 -10.129 -0.855 1.00 0.00 C ATOM 603 O LEU A 41 -8.813 -10.748 0.154 1.00 0.00 O ATOM 604 CB LEU A 41 -6.921 -11.145 -2.544 1.00 0.00 C ATOM 605 CG LEU A 41 -6.705 -11.864 -3.880 1.00 0.00 C ATOM 606 CD1 LEU A 41 -5.219 -12.025 -4.170 1.00 0.00 C ATOM 607 CD2 LEU A 41 -7.400 -13.215 -3.880 1.00 0.00 C ATOM 0 H LEU A 41 -8.282 -9.313 -3.669 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.941 -11.746 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.346 -10.219 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.515 -11.766 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.143 -11.254 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.088 -12.538 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.749 -11.043 -4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.755 -12.610 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.235 -13.709 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.995 -13.832 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.470 -13.074 -3.725 1.00 0.00 H new ATOM 619 N CYS A 42 -8.161 -8.844 -0.844 1.00 0.00 N ATOM 620 CA CYS A 42 -8.316 -8.035 0.357 1.00 0.00 C ATOM 621 C CYS A 42 -9.217 -6.824 0.080 1.00 0.00 C ATOM 622 O CYS A 42 -8.754 -5.769 -0.357 1.00 0.00 O ATOM 623 CB CYS A 42 -6.945 -7.594 0.873 1.00 0.00 C ATOM 624 SG CYS A 42 -5.953 -6.688 -0.338 1.00 0.00 S ATOM 0 H CYS A 42 -7.801 -8.336 -1.652 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.796 -8.638 1.128 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.085 -6.967 1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.390 -8.475 1.195 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.278 -7.069 -1.538 1.00 0.00 H new ATOM 630 N PRO A 43 -10.532 -6.974 0.309 1.00 0.00 N ATOM 631 CA PRO A 43 -11.522 -5.945 -0.020 1.00 0.00 C ATOM 632 C PRO A 43 -11.562 -4.786 0.978 1.00 0.00 C ATOM 633 O PRO A 43 -11.681 -3.631 0.576 1.00 0.00 O ATOM 634 CB PRO A 43 -12.860 -6.705 -0.001 1.00 0.00 C ATOM 635 CG PRO A 43 -12.517 -8.146 0.212 1.00 0.00 C ATOM 636 CD PRO A 43 -11.169 -8.164 0.872 1.00 0.00 C ATOM 0 HA PRO A 43 -11.286 -5.474 -0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.506 -6.336 0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -13.400 -6.567 -0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.263 -8.635 0.838 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.493 -8.684 -0.735 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.247 -8.109 1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.613 -9.072 0.638 1.00 0.00 H new ATOM 644 N ARG A 44 -11.438 -5.088 2.274 1.00 0.00 N ATOM 645 CA ARG A 44 -11.618 -4.072 3.322 1.00 0.00 C ATOM 646 C ARG A 44 -10.514 -3.017 3.283 1.00 0.00 C ATOM 647 O ARG A 44 -10.602 -1.975 3.930 1.00 0.00 O ATOM 648 CB ARG A 44 -11.665 -4.712 4.713 1.00 0.00 C ATOM 649 CG ARG A 44 -12.696 -5.821 4.853 1.00 0.00 C ATOM 650 CD ARG A 44 -12.939 -6.180 6.312 1.00 0.00 C ATOM 651 NE ARG A 44 -11.691 -6.281 7.077 1.00 0.00 N ATOM 652 CZ ARG A 44 -11.127 -7.431 7.446 1.00 0.00 C ATOM 653 NH1 ARG A 44 -11.677 -8.592 7.112 1.00 0.00 N ATOM 654 NH2 ARG A 44 -10.012 -7.428 8.166 1.00 0.00 N ATOM 0 H ARG A 44 -11.215 -6.020 2.623 1.00 0.00 H new ATOM 0 HA ARG A 44 -12.571 -3.583 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.680 -5.115 4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -11.878 -3.938 5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -13.633 -5.507 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.357 -6.704 4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.581 -5.426 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.473 -7.129 6.366 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.224 -5.414 7.344 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.540 -8.610 6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.237 -9.466 7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.584 -6.544 8.439 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.584 -8.310 8.446 1.00 0.00 H new ATOM 668 N LEU A 45 -9.471 -3.283 2.523 1.00 0.00 N ATOM 669 CA LEU A 45 -8.384 -2.327 2.377 1.00 0.00 C ATOM 670 C LEU A 45 -8.852 -1.108 1.605 1.00 0.00 C ATOM 671 O LEU A 45 -8.264 -0.043 1.691 1.00 0.00 O ATOM 672 CB LEU A 45 -7.195 -2.974 1.680 1.00 0.00 C ATOM 673 CG LEU A 45 -6.252 -3.740 2.602 1.00 0.00 C ATOM 674 CD1 LEU A 45 -6.976 -4.871 3.317 1.00 0.00 C ATOM 675 CD2 LEU A 45 -5.063 -4.271 1.820 1.00 0.00 C ATOM 0 H LEU A 45 -9.350 -4.149 1.997 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.069 -2.008 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.567 -3.656 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.627 -2.199 1.166 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.888 -3.049 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.277 -5.398 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.789 -4.461 3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.382 -5.566 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.399 -4.815 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.414 -4.941 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.522 -3.438 1.371 1.00 0.00 H new ATOM 687 N ALA A 46 -9.946 -1.278 0.889 1.00 0.00 N ATOM 688 CA ALA A 46 -10.505 -0.222 0.052 1.00 0.00 C ATOM 689 C ALA A 46 -11.061 0.949 0.868 1.00 0.00 C ATOM 690 O ALA A 46 -11.408 1.985 0.302 1.00 0.00 O ATOM 691 CB ALA A 46 -11.593 -0.791 -0.841 1.00 0.00 C ATOM 0 H ALA A 46 -10.476 -2.149 0.868 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.689 0.170 -0.555 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.006 0.003 -1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.171 -1.569 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.384 -1.217 -0.224 1.00 0.00 H new ATOM 697 N GLU A 47 -11.157 0.797 2.185 1.00 0.00 N ATOM 698 CA GLU A 47 -11.710 1.868 3.015 1.00 0.00 C ATOM 699 C GLU A 47 -10.607 2.709 3.668 1.00 0.00 C ATOM 700 O GLU A 47 -10.801 3.282 4.738 1.00 0.00 O ATOM 701 CB GLU A 47 -12.655 1.291 4.076 1.00 0.00 C ATOM 702 CG GLU A 47 -11.998 0.297 5.012 1.00 0.00 C ATOM 703 CD GLU A 47 -12.996 -0.451 5.872 1.00 0.00 C ATOM 704 OE1 GLU A 47 -13.918 -1.081 5.308 1.00 0.00 O ATOM 705 OE2 GLU A 47 -12.847 -0.440 7.111 1.00 0.00 O ATOM 0 H GLU A 47 -10.867 -0.038 2.695 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.280 2.530 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.068 2.111 4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.492 0.805 3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.422 -0.419 4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.293 0.823 5.656 1.00 0.00 H new ATOM 712 N VAL A 48 -9.457 2.800 3.011 1.00 0.00 N ATOM 713 CA VAL A 48 -8.367 3.641 3.499 1.00 0.00 C ATOM 714 C VAL A 48 -8.600 5.101 3.110 1.00 0.00 C ATOM 715 O VAL A 48 -9.026 5.393 1.991 1.00 0.00 O ATOM 716 CB VAL A 48 -6.994 3.188 2.943 1.00 0.00 C ATOM 717 CG1 VAL A 48 -5.882 4.126 3.388 1.00 0.00 C ATOM 718 CG2 VAL A 48 -6.678 1.766 3.367 1.00 0.00 C ATOM 0 H VAL A 48 -9.254 2.305 2.143 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.353 3.542 4.584 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.056 3.221 1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.931 3.781 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.088 5.133 3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.829 4.137 4.477 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.709 1.473 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.650 1.708 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.447 1.094 2.988 1.00 0.00 H new ATOM 728 N SER A 49 -8.331 6.013 4.033 1.00 0.00 N ATOM 729 CA SER A 49 -8.415 7.434 3.741 1.00 0.00 C ATOM 730 C SER A 49 -7.047 7.923 3.294 1.00 0.00 C ATOM 731 O SER A 49 -6.028 7.584 3.903 1.00 0.00 O ATOM 732 CB SER A 49 -8.892 8.208 4.972 1.00 0.00 C ATOM 733 OG SER A 49 -9.211 9.554 4.652 1.00 0.00 O ATOM 0 H SER A 49 -8.053 5.793 4.989 1.00 0.00 H new ATOM 0 HA SER A 49 -9.139 7.603 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.768 7.716 5.395 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.116 8.189 5.737 1.00 0.00 H new ATOM 0 HG SER A 49 -9.514 10.019 5.460 1.00 0.00 H new ATOM 739 N VAL A 50 -7.020 8.702 2.228 1.00 0.00 N ATOM 740 CA VAL A 50 -5.760 9.101 1.620 1.00 0.00 C ATOM 741 C VAL A 50 -5.595 10.611 1.615 1.00 0.00 C ATOM 742 O VAL A 50 -6.482 11.345 1.169 1.00 0.00 O ATOM 743 CB VAL A 50 -5.643 8.595 0.169 1.00 0.00 C ATOM 744 CG1 VAL A 50 -4.205 8.681 -0.314 1.00 0.00 C ATOM 745 CG2 VAL A 50 -6.169 7.178 0.044 1.00 0.00 C ATOM 0 H VAL A 50 -7.851 9.071 1.766 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.975 8.650 2.227 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.255 9.237 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.144 8.319 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.869 9.717 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.569 8.068 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.075 6.845 -0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.593 6.518 0.692 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.218 7.152 0.340 1.00 0.00 H new ATOM 755 N GLU A 51 -4.462 11.064 2.120 1.00 0.00 N ATOM 756 CA GLU A 51 -4.099 12.461 2.048 1.00 0.00 C ATOM 757 C GLU A 51 -2.748 12.592 1.358 1.00 0.00 C ATOM 758 O GLU A 51 -1.871 11.746 1.526 1.00 0.00 O ATOM 759 CB GLU A 51 -4.049 13.078 3.446 1.00 0.00 C ATOM 760 CG GLU A 51 -3.836 14.581 3.431 1.00 0.00 C ATOM 761 CD GLU A 51 -4.854 15.294 2.570 1.00 0.00 C ATOM 762 OE1 GLU A 51 -5.934 15.643 3.087 1.00 0.00 O ATOM 763 OE2 GLU A 51 -4.582 15.505 1.369 1.00 0.00 O ATOM 0 H GLU A 51 -3.773 10.475 2.588 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.852 12.998 1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.980 12.855 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.245 12.610 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.892 14.964 4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.834 14.800 3.063 1.00 0.00 H new ATOM 770 N LEU A 52 -2.582 13.636 0.570 1.00 0.00 N ATOM 771 CA LEU A 52 -1.341 13.837 -0.153 1.00 0.00 C ATOM 772 C LEU A 52 -0.750 15.200 0.152 1.00 0.00 C ATOM 773 O LEU A 52 -1.406 16.232 0.013 1.00 0.00 O ATOM 774 CB LEU A 52 -1.530 13.673 -1.667 1.00 0.00 C ATOM 775 CG LEU A 52 -1.524 12.228 -2.186 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.862 11.542 -1.952 1.00 0.00 C ATOM 777 CD2 LEU A 52 -1.158 12.199 -3.660 1.00 0.00 C ATOM 0 H LEU A 52 -3.288 14.356 0.414 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.647 13.067 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.475 14.137 -1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.740 14.225 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.771 11.675 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.819 10.521 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.079 11.522 -0.884 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.648 12.090 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.158 11.168 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.887 12.778 -4.227 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.166 12.630 -3.797 1.00 0.00 H new ATOM 789 N ARG A 53 0.496 15.181 0.578 1.00 0.00 N ATOM 790 CA ARG A 53 1.255 16.387 0.833 1.00 0.00 C ATOM 791 C ARG A 53 2.320 16.513 -0.244 1.00 0.00 C ATOM 792 O ARG A 53 2.715 15.509 -0.836 1.00 0.00 O ATOM 793 CB ARG A 53 1.899 16.315 2.225 1.00 0.00 C ATOM 794 CG ARG A 53 2.827 17.483 2.550 1.00 0.00 C ATOM 795 CD ARG A 53 2.057 18.775 2.774 1.00 0.00 C ATOM 796 NE ARG A 53 1.313 18.753 4.032 1.00 0.00 N ATOM 797 CZ ARG A 53 0.230 19.487 4.268 1.00 0.00 C ATOM 798 NH1 ARG A 53 -0.301 20.223 3.299 1.00 0.00 N ATOM 799 NH2 ARG A 53 -0.333 19.463 5.469 1.00 0.00 N ATOM 0 H ARG A 53 1.014 14.321 0.758 1.00 0.00 H new ATOM 0 HA ARG A 53 0.603 17.260 0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.110 16.274 2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.463 15.386 2.304 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.408 17.248 3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.537 17.620 1.734 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.751 19.616 2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.366 18.935 1.946 1.00 0.00 H new ATOM 0 HE ARG A 53 1.645 18.137 4.774 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.122 20.226 2.371 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.132 20.785 3.483 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.065 18.883 6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.164 20.025 5.654 1.00 0.00 H new ATOM 813 N MET A 54 2.763 17.731 -0.518 1.00 0.00 N ATOM 814 CA MET A 54 3.828 17.953 -1.482 1.00 0.00 C ATOM 815 C MET A 54 5.114 17.269 -1.022 1.00 0.00 C ATOM 816 O MET A 54 5.915 17.849 -0.288 1.00 0.00 O ATOM 817 CB MET A 54 4.056 19.455 -1.678 1.00 0.00 C ATOM 818 CG MET A 54 2.840 20.182 -2.230 1.00 0.00 C ATOM 819 SD MET A 54 3.100 21.958 -2.396 1.00 0.00 S ATOM 820 CE MET A 54 1.501 22.471 -3.019 1.00 0.00 C ATOM 0 H MET A 54 2.401 18.581 -0.086 1.00 0.00 H new ATOM 0 HA MET A 54 3.533 17.519 -2.437 1.00 0.00 H new ATOM 0 HB2 MET A 54 4.334 19.901 -0.723 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.897 19.602 -2.356 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.585 19.765 -3.204 1.00 0.00 H new ATOM 0 HG3 MET A 54 1.988 20.004 -1.574 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.500 23.550 -3.174 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.301 21.968 -3.965 1.00 0.00 H new ATOM 0 HE3 MET A 54 0.728 22.208 -2.297 1.00 0.00 H new ATOM 830 N GLY A 55 5.278 16.015 -1.422 1.00 0.00 N ATOM 831 CA GLY A 55 6.453 15.258 -1.045 1.00 0.00 C ATOM 832 C GLY A 55 6.139 14.107 -0.104 1.00 0.00 C ATOM 833 O GLY A 55 7.011 13.282 0.180 1.00 0.00 O ATOM 0 H GLY A 55 4.613 15.507 -2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.930 14.866 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.171 15.925 -0.568 1.00 0.00 H new ATOM 837 N TYR A 56 4.897 14.025 0.372 1.00 0.00 N ATOM 838 CA TYR A 56 4.535 13.000 1.346 1.00 0.00 C ATOM 839 C TYR A 56 3.181 12.385 1.034 1.00 0.00 C ATOM 840 O TYR A 56 2.229 13.081 0.688 1.00 0.00 O ATOM 841 CB TYR A 56 4.505 13.575 2.765 1.00 0.00 C ATOM 842 CG TYR A 56 5.846 14.036 3.277 1.00 0.00 C ATOM 843 CD1 TYR A 56 6.733 13.139 3.855 1.00 0.00 C ATOM 844 CD2 TYR A 56 6.221 15.371 3.189 1.00 0.00 C ATOM 845 CE1 TYR A 56 7.960 13.559 4.331 1.00 0.00 C ATOM 846 CE2 TYR A 56 7.444 15.799 3.661 1.00 0.00 C ATOM 847 CZ TYR A 56 8.309 14.891 4.230 1.00 0.00 C ATOM 848 OH TYR A 56 9.526 15.320 4.711 1.00 0.00 O ATOM 0 H TYR A 56 4.135 14.647 0.103 1.00 0.00 H new ATOM 0 HA TYR A 56 5.299 12.225 1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.812 14.416 2.789 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.111 12.818 3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.460 12.097 3.934 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.544 16.085 2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.641 12.851 4.779 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.722 16.840 3.585 1.00 0.00 H new ATOM 0 HH TYR A 56 9.616 16.284 4.561 1.00 0.00 H new ATOM 858 N LEU A 57 3.108 11.078 1.169 1.00 0.00 N ATOM 859 CA LEU A 57 1.863 10.351 1.026 1.00 0.00 C ATOM 860 C LEU A 57 1.330 9.996 2.409 1.00 0.00 C ATOM 861 O LEU A 57 1.891 9.142 3.090 1.00 0.00 O ATOM 862 CB LEU A 57 2.097 9.082 0.205 1.00 0.00 C ATOM 863 CG LEU A 57 0.867 8.212 -0.032 1.00 0.00 C ATOM 864 CD1 LEU A 57 -0.135 8.930 -0.924 1.00 0.00 C ATOM 865 CD2 LEU A 57 1.275 6.881 -0.639 1.00 0.00 C ATOM 0 H LEU A 57 3.912 10.487 1.382 1.00 0.00 H new ATOM 0 HA LEU A 57 1.131 10.970 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.509 9.368 -0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.854 8.480 0.708 1.00 0.00 H new ATOM 0 HG LEU A 57 0.386 8.020 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.005 8.292 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.447 9.859 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.328 9.154 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.388 6.269 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.778 7.054 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.952 6.363 0.041 1.00 0.00 H new ATOM 877 N VAL A 58 0.269 10.661 2.829 1.00 0.00 N ATOM 878 CA VAL A 58 -0.244 10.494 4.183 1.00 0.00 C ATOM 879 C VAL A 58 -1.467 9.587 4.196 1.00 0.00 C ATOM 880 O VAL A 58 -2.564 9.998 3.826 1.00 0.00 O ATOM 881 CB VAL A 58 -0.608 11.851 4.824 1.00 0.00 C ATOM 882 CG1 VAL A 58 -1.045 11.669 6.271 1.00 0.00 C ATOM 883 CG2 VAL A 58 0.560 12.823 4.730 1.00 0.00 C ATOM 0 H VAL A 58 -0.256 11.321 2.256 1.00 0.00 H new ATOM 0 HA VAL A 58 0.552 10.033 4.768 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.446 12.272 4.269 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.296 12.639 6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.919 11.019 6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.233 11.219 6.842 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.281 13.772 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.422 12.408 5.252 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.814 12.986 3.683 1.00 0.00 H new ATOM 893 N LEU A 59 -1.264 8.349 4.603 1.00 0.00 N ATOM 894 CA LEU A 59 -2.358 7.398 4.744 1.00 0.00 C ATOM 895 C LEU A 59 -2.978 7.509 6.130 1.00 0.00 C ATOM 896 O LEU A 59 -2.292 7.842 7.091 1.00 0.00 O ATOM 897 CB LEU A 59 -1.857 5.969 4.502 1.00 0.00 C ATOM 898 CG LEU A 59 -1.923 5.478 3.050 1.00 0.00 C ATOM 899 CD1 LEU A 59 -1.229 6.447 2.106 1.00 0.00 C ATOM 900 CD2 LEU A 59 -1.300 4.096 2.940 1.00 0.00 C ATOM 0 H LEU A 59 -0.347 7.973 4.844 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.119 7.632 4.000 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.823 5.904 4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.440 5.289 5.123 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.972 5.423 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.294 6.070 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.714 7.422 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.181 6.545 2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.351 3.755 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.258 4.140 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.844 3.400 3.579 1.00 0.00 H new ATOM 912 N LYS A 60 -4.275 7.263 6.219 1.00 0.00 N ATOM 913 CA LYS A 60 -4.989 7.266 7.495 1.00 0.00 C ATOM 914 C LYS A 60 -6.069 6.192 7.466 1.00 0.00 C ATOM 915 O LYS A 60 -6.804 6.086 6.484 1.00 0.00 O ATOM 916 CB LYS A 60 -5.622 8.637 7.758 1.00 0.00 C ATOM 917 CG LYS A 60 -4.613 9.742 8.032 1.00 0.00 C ATOM 918 CD LYS A 60 -5.260 11.119 8.130 1.00 0.00 C ATOM 919 CE LYS A 60 -6.196 11.244 9.325 1.00 0.00 C ATOM 920 NZ LYS A 60 -7.527 10.631 9.071 1.00 0.00 N ATOM 0 H LYS A 60 -4.865 7.056 5.414 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.282 7.057 8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.228 8.918 6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.298 8.557 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.087 9.525 8.962 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.866 9.752 7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.481 11.878 8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.817 11.321 7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.739 10.767 10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.326 12.298 9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.275 11.313 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.603 10.371 8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.635 9.780 9.659 1.00 0.00 H new ATOM 934 N ALA A 61 -6.173 5.382 8.513 1.00 0.00 N ATOM 935 CA ALA A 61 -7.136 4.284 8.479 1.00 0.00 C ATOM 936 C ALA A 61 -8.271 4.486 9.472 1.00 0.00 C ATOM 937 O ALA A 61 -8.085 5.077 10.532 1.00 0.00 O ATOM 938 CB ALA A 61 -6.440 2.960 8.741 1.00 0.00 C ATOM 0 H ALA A 61 -5.624 5.457 9.369 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.573 4.269 7.481 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.172 2.152 8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.682 2.790 7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.967 2.986 9.722 1.00 0.00 H new ATOM 944 N PRO A 62 -9.477 4.004 9.138 1.00 0.00 N ATOM 945 CA PRO A 62 -10.598 3.994 10.072 1.00 0.00 C ATOM 946 C PRO A 62 -10.313 3.064 11.244 1.00 0.00 C ATOM 947 O PRO A 62 -10.528 1.853 11.161 1.00 0.00 O ATOM 948 CB PRO A 62 -11.781 3.475 9.245 1.00 0.00 C ATOM 949 CG PRO A 62 -11.347 3.581 7.824 1.00 0.00 C ATOM 950 CD PRO A 62 -9.850 3.452 7.831 1.00 0.00 C ATOM 0 HA PRO A 62 -10.790 4.978 10.500 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.021 2.444 9.507 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -12.678 4.067 9.427 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.802 2.797 7.219 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -11.653 4.534 7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.534 2.414 7.726 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.393 4.009 7.013 1.00 0.00 H new ATOM 958 N GLY A 63 -9.777 3.629 12.313 1.00 0.00 N ATOM 959 CA GLY A 63 -9.426 2.835 13.465 1.00 0.00 C ATOM 960 C GLY A 63 -7.936 2.834 13.734 1.00 0.00 C ATOM 961 O GLY A 63 -7.510 2.617 14.870 1.00 0.00 O ATOM 0 H GLY A 63 -9.579 4.626 12.402 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.950 3.219 14.340 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.766 1.810 13.314 1.00 0.00 H new ATOM 965 N MET A 64 -7.139 3.082 12.696 1.00 0.00 N ATOM 966 CA MET A 64 -5.686 3.078 12.839 1.00 0.00 C ATOM 967 C MET A 64 -5.132 4.441 12.464 1.00 0.00 C ATOM 968 O MET A 64 -5.751 5.195 11.708 1.00 0.00 O ATOM 969 CB MET A 64 -5.014 1.993 11.980 1.00 0.00 C ATOM 970 CG MET A 64 -5.671 0.620 12.054 1.00 0.00 C ATOM 971 SD MET A 64 -5.940 0.061 13.750 1.00 0.00 S ATOM 972 CE MET A 64 -7.015 -1.348 13.485 1.00 0.00 C ATOM 0 H MET A 64 -7.472 3.287 11.754 1.00 0.00 H new ATOM 0 HA MET A 64 -5.463 2.853 13.882 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.010 2.323 10.941 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.973 1.899 12.288 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.627 0.651 11.531 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.046 -0.105 11.533 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.029 -1.096 13.796 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.015 -1.612 12.427 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.656 -2.195 14.070 1.00 0.00 H new ATOM 982 N LEU A 65 -3.951 4.725 12.973 1.00 0.00 N ATOM 983 CA LEU A 65 -3.342 6.040 12.865 1.00 0.00 C ATOM 984 C LEU A 65 -2.970 6.392 11.421 1.00 0.00 C ATOM 985 O LEU A 65 -3.475 5.796 10.454 1.00 0.00 O ATOM 986 CB LEU A 65 -2.106 6.091 13.775 1.00 0.00 C ATOM 987 CG LEU A 65 -2.382 6.340 15.268 1.00 0.00 C ATOM 988 CD1 LEU A 65 -3.373 5.335 15.841 1.00 0.00 C ATOM 989 CD2 LEU A 65 -1.086 6.281 16.048 1.00 0.00 C ATOM 0 H LEU A 65 -3.380 4.047 13.478 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.071 6.785 13.185 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.567 5.149 13.677 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.443 6.876 13.412 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.826 7.332 15.359 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.538 5.548 16.897 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.318 5.409 15.304 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.973 4.327 15.733 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.289 6.458 17.104 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.632 5.298 15.926 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.403 7.045 15.677 1.00 0.00 H new ATOM 1001 N ARG A 66 -2.112 7.395 11.278 1.00 0.00 N ATOM 1002 CA ARG A 66 -1.654 7.821 9.974 1.00 0.00 C ATOM 1003 C ARG A 66 -0.393 7.065 9.578 1.00 0.00 C ATOM 1004 O ARG A 66 0.257 6.422 10.406 1.00 0.00 O ATOM 1005 CB ARG A 66 -1.350 9.323 9.961 1.00 0.00 C ATOM 1006 CG ARG A 66 -0.002 9.667 10.579 1.00 0.00 C ATOM 1007 CD ARG A 66 0.390 11.108 10.320 1.00 0.00 C ATOM 1008 NE ARG A 66 1.804 11.336 10.606 1.00 0.00 N ATOM 1009 CZ ARG A 66 2.258 12.136 11.565 1.00 0.00 C ATOM 1010 NH1 ARG A 66 1.410 12.788 12.352 1.00 0.00 N ATOM 1011 NH2 ARG A 66 3.565 12.275 11.741 1.00 0.00 N ATOM 0 H ARG A 66 -1.722 7.926 12.056 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.452 7.609 9.262 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.373 9.683 8.932 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.136 9.851 10.502 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.040 9.489 11.654 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.763 9.005 10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.182 11.362 9.281 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.219 11.769 10.937 1.00 0.00 H new ATOM 0 HE ARG A 66 2.490 10.848 10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.405 12.676 12.222 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.764 13.401 13.087 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.217 11.769 11.142 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.918 12.888 12.476 1.00 0.00 H new ATOM 1025 N LEU A 67 -0.060 7.158 8.309 1.00 0.00 N ATOM 1026 CA LEU A 67 1.182 6.631 7.790 1.00 0.00 C ATOM 1027 C LEU A 67 1.703 7.567 6.708 1.00 0.00 C ATOM 1028 O LEU A 67 1.290 7.486 5.551 1.00 0.00 O ATOM 1029 CB LEU A 67 0.975 5.217 7.237 1.00 0.00 C ATOM 1030 CG LEU A 67 2.203 4.578 6.586 1.00 0.00 C ATOM 1031 CD1 LEU A 67 3.350 4.478 7.581 1.00 0.00 C ATOM 1032 CD2 LEU A 67 1.852 3.206 6.038 1.00 0.00 C ATOM 0 H LEU A 67 -0.647 7.604 7.605 1.00 0.00 H new ATOM 0 HA LEU A 67 1.917 6.567 8.593 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.640 4.573 8.050 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.170 5.247 6.502 1.00 0.00 H new ATOM 0 HG LEU A 67 2.525 5.212 5.760 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.213 4.021 7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.616 5.475 7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.043 3.866 8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.734 2.762 5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.506 2.567 6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.063 3.303 5.292 1.00 0.00 H new ATOM 1044 N ASP A 68 2.564 8.491 7.102 1.00 0.00 N ATOM 1045 CA ASP A 68 3.128 9.450 6.164 1.00 0.00 C ATOM 1046 C ASP A 68 4.383 8.884 5.525 1.00 0.00 C ATOM 1047 O ASP A 68 5.388 8.634 6.191 1.00 0.00 O ATOM 1048 CB ASP A 68 3.410 10.804 6.834 1.00 0.00 C ATOM 1049 CG ASP A 68 4.257 10.702 8.089 1.00 0.00 C ATOM 1050 OD1 ASP A 68 3.731 10.246 9.128 1.00 0.00 O ATOM 1051 OD2 ASP A 68 5.442 11.093 8.051 1.00 0.00 O ATOM 0 H ASP A 68 2.888 8.598 8.063 1.00 0.00 H new ATOM 0 HA ASP A 68 2.390 9.629 5.382 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.914 11.455 6.119 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.462 11.279 7.085 1.00 0.00 H new ATOM 1056 N ILE A 69 4.299 8.656 4.231 1.00 0.00 N ATOM 1057 CA ILE A 69 5.381 8.058 3.481 1.00 0.00 C ATOM 1058 C ILE A 69 5.986 9.073 2.522 1.00 0.00 C ATOM 1059 O ILE A 69 5.290 9.608 1.663 1.00 0.00 O ATOM 1060 CB ILE A 69 4.876 6.846 2.674 1.00 0.00 C ATOM 1061 CG1 ILE A 69 4.144 5.867 3.595 1.00 0.00 C ATOM 1062 CG2 ILE A 69 6.038 6.158 1.974 1.00 0.00 C ATOM 1063 CD1 ILE A 69 3.403 4.775 2.855 1.00 0.00 C ATOM 0 H ILE A 69 3.477 8.881 3.670 1.00 0.00 H new ATOM 0 HA ILE A 69 6.140 7.729 4.191 1.00 0.00 H new ATOM 0 HB ILE A 69 4.176 7.195 1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.866 5.410 4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.436 6.421 4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.667 5.304 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.522 6.861 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.759 5.816 2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.909 4.120 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.657 5.222 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.109 4.195 2.260 1.00 0.00 H new ATOM 1075 N PRO A 70 7.278 9.386 2.683 1.00 0.00 N ATOM 1076 CA PRO A 70 8.003 10.223 1.728 1.00 0.00 C ATOM 1077 C PRO A 70 7.902 9.664 0.314 1.00 0.00 C ATOM 1078 O PRO A 70 8.181 8.484 0.088 1.00 0.00 O ATOM 1079 CB PRO A 70 9.449 10.162 2.227 1.00 0.00 C ATOM 1080 CG PRO A 70 9.330 9.854 3.677 1.00 0.00 C ATOM 1081 CD PRO A 70 8.127 8.963 3.807 1.00 0.00 C ATOM 0 HA PRO A 70 7.607 11.237 1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.017 9.393 1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.966 11.108 2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.227 9.357 4.046 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.207 10.766 4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.396 7.909 3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.625 9.099 4.765 1.00 0.00 H new ATOM 1089 N LEU A 71 7.495 10.504 -0.629 1.00 0.00 N ATOM 1090 CA LEU A 71 7.339 10.076 -2.017 1.00 0.00 C ATOM 1091 C LEU A 71 8.683 9.660 -2.604 1.00 0.00 C ATOM 1092 O LEU A 71 8.749 8.828 -3.508 1.00 0.00 O ATOM 1093 CB LEU A 71 6.706 11.191 -2.854 1.00 0.00 C ATOM 1094 CG LEU A 71 5.277 11.568 -2.449 1.00 0.00 C ATOM 1095 CD1 LEU A 71 4.775 12.733 -3.284 1.00 0.00 C ATOM 1096 CD2 LEU A 71 4.347 10.371 -2.591 1.00 0.00 C ATOM 0 H LEU A 71 7.267 11.484 -0.461 1.00 0.00 H new ATOM 0 HA LEU A 71 6.675 9.212 -2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.334 12.079 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.703 10.884 -3.900 1.00 0.00 H new ATOM 0 HG LEU A 71 5.287 11.874 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.759 12.986 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.424 13.596 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.781 12.455 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.337 10.658 -2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.343 10.034 -3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.694 9.562 -1.948 1.00 0.00 H new ATOM 1108 N ASP A 72 9.747 10.244 -2.074 1.00 0.00 N ATOM 1109 CA ASP A 72 11.097 9.853 -2.446 1.00 0.00 C ATOM 1110 C ASP A 72 11.722 9.062 -1.305 1.00 0.00 C ATOM 1111 O ASP A 72 12.116 9.629 -0.282 1.00 0.00 O ATOM 1112 CB ASP A 72 11.949 11.080 -2.775 1.00 0.00 C ATOM 1113 CG ASP A 72 13.302 10.711 -3.345 1.00 0.00 C ATOM 1114 OD1 ASP A 72 13.371 10.381 -4.547 1.00 0.00 O ATOM 1115 OD2 ASP A 72 14.303 10.756 -2.601 1.00 0.00 O ATOM 0 H ASP A 72 9.701 10.993 -1.383 1.00 0.00 H new ATOM 0 HA ASP A 72 11.053 9.230 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.416 11.707 -3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.089 11.674 -1.872 1.00 0.00 H new ATOM 1120 N VAL A 73 11.776 7.750 -1.472 1.00 0.00 N ATOM 1121 CA VAL A 73 12.259 6.859 -0.424 1.00 0.00 C ATOM 1122 C VAL A 73 13.787 6.761 -0.476 1.00 0.00 C ATOM 1123 O VAL A 73 14.401 7.107 -1.489 1.00 0.00 O ATOM 1124 CB VAL A 73 11.628 5.449 -0.554 1.00 0.00 C ATOM 1125 CG1 VAL A 73 11.849 4.618 0.706 1.00 0.00 C ATOM 1126 CG2 VAL A 73 10.143 5.564 -0.864 1.00 0.00 C ATOM 0 H VAL A 73 11.490 7.275 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 73 11.961 7.276 0.538 1.00 0.00 H new ATOM 0 HB VAL A 73 12.123 4.935 -1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.393 3.636 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.918 4.502 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.393 5.122 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 73 9.712 4.567 -0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.644 6.105 -0.060 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.008 6.103 -1.802 1.00 0.00 H new ATOM 1136 N ILE A 74 14.388 6.296 0.618 1.00 0.00 N ATOM 1137 CA ILE A 74 15.843 6.231 0.749 1.00 0.00 C ATOM 1138 C ILE A 74 16.463 5.324 -0.319 1.00 0.00 C ATOM 1139 O ILE A 74 15.836 4.373 -0.785 1.00 0.00 O ATOM 1140 CB ILE A 74 16.252 5.720 2.152 1.00 0.00 C ATOM 1141 CG1 ILE A 74 15.462 6.465 3.237 1.00 0.00 C ATOM 1142 CG2 ILE A 74 17.752 5.887 2.379 1.00 0.00 C ATOM 1143 CD1 ILE A 74 15.785 6.020 4.648 1.00 0.00 C ATOM 0 H ILE A 74 13.883 5.955 1.436 1.00 0.00 H new ATOM 0 HA ILE A 74 16.220 7.244 0.611 1.00 0.00 H new ATOM 0 HB ILE A 74 16.018 4.657 2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 74 15.662 7.533 3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 74 14.396 6.324 3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.013 5.520 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 74 18.299 5.319 1.627 1.00 0.00 H new ATOM 0 HG23 ILE A 74 18.017 6.941 2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 74 15.187 6.593 5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 74 15.558 4.959 4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 74 16.843 6.187 4.849 1.00 0.00 H new ATOM 1155 N GLU A 75 17.708 5.615 -0.665 1.00 0.00 N ATOM 1156 CA GLU A 75 18.404 4.948 -1.762 1.00 0.00 C ATOM 1157 C GLU A 75 19.279 3.801 -1.237 1.00 0.00 C ATOM 1158 O GLU A 75 20.228 3.355 -1.891 1.00 0.00 O ATOM 1159 CB GLU A 75 19.245 5.995 -2.501 1.00 0.00 C ATOM 1160 CG GLU A 75 19.872 5.517 -3.799 1.00 0.00 C ATOM 1161 CD GLU A 75 20.634 6.619 -4.503 1.00 0.00 C ATOM 1162 OE1 GLU A 75 21.197 7.494 -3.811 1.00 0.00 O ATOM 1163 OE2 GLU A 75 20.658 6.627 -5.750 1.00 0.00 O ATOM 0 H GLU A 75 18.269 6.324 -0.192 1.00 0.00 H new ATOM 0 HA GLU A 75 17.682 4.507 -2.449 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.616 6.859 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 75 20.038 6.336 -1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 75 20.546 4.686 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.092 5.137 -4.459 1.00 0.00 H new ATOM 1170 N ASP A 76 18.929 3.303 -0.068 1.00 0.00 N ATOM 1171 CA ASP A 76 19.685 2.232 0.572 1.00 0.00 C ATOM 1172 C ASP A 76 18.746 1.077 0.898 1.00 0.00 C ATOM 1173 O ASP A 76 17.559 1.142 0.579 1.00 0.00 O ATOM 1174 CB ASP A 76 20.372 2.763 1.835 1.00 0.00 C ATOM 1175 CG ASP A 76 21.401 1.810 2.413 1.00 0.00 C ATOM 1176 OD1 ASP A 76 22.364 1.459 1.702 1.00 0.00 O ATOM 1177 OD2 ASP A 76 21.249 1.411 3.583 1.00 0.00 O ATOM 0 H ASP A 76 18.120 3.622 0.466 1.00 0.00 H new ATOM 0 HA ASP A 76 20.459 1.868 -0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 76 20.857 3.711 1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 76 19.615 2.969 2.591 1.00 0.00 H new ATOM 1182 N ASP A 77 19.259 0.040 1.554 1.00 0.00 N ATOM 1183 CA ASP A 77 18.466 -1.172 1.806 1.00 0.00 C ATOM 1184 C ASP A 77 17.437 -0.944 2.907 1.00 0.00 C ATOM 1185 O ASP A 77 16.716 -1.864 3.293 1.00 0.00 O ATOM 1186 CB ASP A 77 19.349 -2.387 2.145 1.00 0.00 C ATOM 1187 CG ASP A 77 19.974 -2.329 3.524 1.00 0.00 C ATOM 1188 OD1 ASP A 77 19.335 -2.774 4.499 1.00 0.00 O ATOM 1189 OD2 ASP A 77 21.124 -1.865 3.635 1.00 0.00 O ATOM 0 H ASP A 77 20.211 0.008 1.920 1.00 0.00 H new ATOM 0 HA ASP A 77 17.939 -1.395 0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.748 -3.293 2.068 1.00 0.00 H new ATOM 0 HB3 ASP A 77 20.142 -2.466 1.401 1.00 0.00 H new ATOM 1194 N ASP A 78 17.374 0.283 3.414 1.00 0.00 N ATOM 1195 CA ASP A 78 16.274 0.690 4.284 1.00 0.00 C ATOM 1196 C ASP A 78 14.976 0.558 3.502 1.00 0.00 C ATOM 1197 O ASP A 78 13.959 0.089 4.017 1.00 0.00 O ATOM 1198 CB ASP A 78 16.449 2.134 4.754 1.00 0.00 C ATOM 1199 CG ASP A 78 15.410 2.540 5.782 1.00 0.00 C ATOM 1200 OD1 ASP A 78 14.276 2.880 5.396 1.00 0.00 O ATOM 1201 OD2 ASP A 78 15.734 2.535 6.989 1.00 0.00 O ATOM 0 H ASP A 78 18.067 1.010 3.239 1.00 0.00 H new ATOM 0 HA ASP A 78 16.258 0.052 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.445 2.256 5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.386 2.802 3.895 1.00 0.00 H new ATOM 1206 N SER A 79 15.037 0.958 2.237 1.00 0.00 N ATOM 1207 CA SER A 79 13.949 0.732 1.310 1.00 0.00 C ATOM 1208 C SER A 79 14.047 -0.699 0.797 1.00 0.00 C ATOM 1209 O SER A 79 14.628 -0.965 -0.258 1.00 0.00 O ATOM 1210 CB SER A 79 14.010 1.732 0.151 1.00 0.00 C ATOM 1211 OG SER A 79 12.887 1.601 -0.705 1.00 0.00 O ATOM 0 H SER A 79 15.838 1.444 1.833 1.00 0.00 H new ATOM 0 HA SER A 79 12.994 0.878 1.815 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.052 2.747 0.546 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.925 1.574 -0.420 1.00 0.00 H new ATOM 0 HG SER A 79 12.953 2.253 -1.434 1.00 0.00 H new ATOM 1217 N VAL A 80 13.523 -1.617 1.591 1.00 0.00 N ATOM 1218 CA VAL A 80 13.628 -3.040 1.318 1.00 0.00 C ATOM 1219 C VAL A 80 12.984 -3.401 -0.011 1.00 0.00 C ATOM 1220 O VAL A 80 11.859 -2.999 -0.291 1.00 0.00 O ATOM 1221 CB VAL A 80 12.944 -3.859 2.430 1.00 0.00 C ATOM 1222 CG1 VAL A 80 13.102 -5.354 2.195 1.00 0.00 C ATOM 1223 CG2 VAL A 80 13.487 -3.474 3.797 1.00 0.00 C ATOM 0 H VAL A 80 13.011 -1.396 2.445 1.00 0.00 H new ATOM 0 HA VAL A 80 14.691 -3.278 1.278 1.00 0.00 H new ATOM 0 HB VAL A 80 11.880 -3.626 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.608 -5.903 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.650 -5.622 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.161 -5.610 2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.989 -4.065 4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 80 14.560 -3.665 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.302 -2.415 3.977 1.00 0.00 H new ATOM 1233 N ARG A 81 13.698 -4.140 -0.838 1.00 0.00 N ATOM 1234 CA ARG A 81 13.093 -4.708 -2.028 1.00 0.00 C ATOM 1235 C ARG A 81 12.689 -6.141 -1.744 1.00 0.00 C ATOM 1236 O ARG A 81 13.503 -7.064 -1.781 1.00 0.00 O ATOM 1237 CB ARG A 81 13.985 -4.608 -3.277 1.00 0.00 C ATOM 1238 CG ARG A 81 15.459 -4.934 -3.074 1.00 0.00 C ATOM 1239 CD ARG A 81 16.207 -3.778 -2.424 1.00 0.00 C ATOM 1240 NE ARG A 81 15.810 -2.489 -2.989 1.00 0.00 N ATOM 1241 CZ ARG A 81 16.537 -1.792 -3.860 1.00 0.00 C ATOM 1242 NH1 ARG A 81 17.679 -2.286 -4.322 1.00 0.00 N ATOM 1243 NH2 ARG A 81 16.120 -0.603 -4.275 1.00 0.00 N ATOM 0 H ARG A 81 14.686 -4.360 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 81 12.209 -4.116 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.587 -5.279 -4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 81 13.909 -3.595 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.553 -5.824 -2.452 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.916 -5.168 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.016 -3.779 -1.351 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.280 -3.918 -2.557 1.00 0.00 H new ATOM 0 HE ARG A 81 14.915 -2.097 -2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 81 18.002 -3.202 -4.010 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.234 -1.750 -4.989 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.241 -0.221 -3.927 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.679 -0.071 -4.942 1.00 0.00 H new ATOM 1257 N TYR A 82 11.420 -6.303 -1.424 1.00 0.00 N ATOM 1258 CA TYR A 82 10.882 -7.579 -1.009 1.00 0.00 C ATOM 1259 C TYR A 82 10.691 -8.463 -2.226 1.00 0.00 C ATOM 1260 O TYR A 82 9.986 -8.091 -3.164 1.00 0.00 O ATOM 1261 CB TYR A 82 9.547 -7.362 -0.291 1.00 0.00 C ATOM 1262 CG TYR A 82 9.135 -8.494 0.624 1.00 0.00 C ATOM 1263 CD1 TYR A 82 9.580 -8.536 1.939 1.00 0.00 C ATOM 1264 CD2 TYR A 82 8.292 -9.506 0.184 1.00 0.00 C ATOM 1265 CE1 TYR A 82 9.199 -9.554 2.789 1.00 0.00 C ATOM 1266 CE2 TYR A 82 7.908 -10.530 1.029 1.00 0.00 C ATOM 1267 CZ TYR A 82 8.365 -10.549 2.331 1.00 0.00 C ATOM 1268 OH TYR A 82 7.982 -11.564 3.180 1.00 0.00 O ATOM 0 H TYR A 82 10.733 -5.550 -1.445 1.00 0.00 H new ATOM 0 HA TYR A 82 11.574 -8.067 -0.322 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.608 -6.444 0.293 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.767 -7.213 -1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.236 -7.758 2.303 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.931 -9.493 -0.834 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.553 -9.570 3.809 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.254 -11.311 0.672 1.00 0.00 H new ATOM 0 HH TYR A 82 7.392 -12.185 2.703 1.00 0.00 H new ATOM 1278 N GLN A 83 11.336 -9.617 -2.222 1.00 0.00 N ATOM 1279 CA GLN A 83 11.257 -10.530 -3.347 1.00 0.00 C ATOM 1280 C GLN A 83 9.854 -11.122 -3.443 1.00 0.00 C ATOM 1281 O GLN A 83 9.464 -11.972 -2.644 1.00 0.00 O ATOM 1282 CB GLN A 83 12.320 -11.625 -3.216 1.00 0.00 C ATOM 1283 CG GLN A 83 12.473 -12.482 -4.462 1.00 0.00 C ATOM 1284 CD GLN A 83 13.708 -13.363 -4.422 1.00 0.00 C ATOM 1285 OE1 GLN A 83 14.292 -13.673 -5.461 1.00 0.00 O ATOM 1286 NE2 GLN A 83 14.120 -13.765 -3.231 1.00 0.00 N ATOM 0 H GLN A 83 11.920 -9.943 -1.452 1.00 0.00 H new ATOM 0 HA GLN A 83 11.455 -9.983 -4.269 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.279 -11.162 -2.985 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.065 -12.267 -2.373 1.00 0.00 H new ATOM 0 HG2 GLN A 83 11.589 -13.109 -4.577 1.00 0.00 H new ATOM 0 HG3 GLN A 83 12.522 -11.836 -5.338 1.00 0.00 H new ATOM 0 HE21 GLN A 83 13.608 -13.487 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 83 14.949 -14.353 -3.150 1.00 0.00 H new ATOM 1295 N MET A 84 9.101 -10.637 -4.414 1.00 0.00 N ATOM 1296 CA MET A 84 7.714 -11.020 -4.601 1.00 0.00 C ATOM 1297 C MET A 84 7.627 -12.176 -5.581 1.00 0.00 C ATOM 1298 O MET A 84 8.465 -12.304 -6.478 1.00 0.00 O ATOM 1299 CB MET A 84 6.924 -9.826 -5.151 1.00 0.00 C ATOM 1300 CG MET A 84 5.455 -10.111 -5.423 1.00 0.00 C ATOM 1301 SD MET A 84 4.394 -9.752 -4.012 1.00 0.00 S ATOM 1302 CE MET A 84 4.439 -7.962 -4.001 1.00 0.00 C ATOM 0 H MET A 84 9.438 -9.961 -5.100 1.00 0.00 H new ATOM 0 HA MET A 84 7.294 -11.327 -3.643 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.995 -9.002 -4.441 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.393 -9.492 -6.076 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.128 -9.518 -6.277 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.339 -11.159 -5.700 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.779 -7.613 -3.026 1.00 0.00 H new ATOM 0 HE2 MET A 84 5.125 -7.611 -4.772 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.441 -7.572 -4.198 1.00 0.00 H new ATOM 1312 N LEU A 85 6.615 -13.003 -5.426 1.00 0.00 N ATOM 1313 CA LEU A 85 6.400 -14.094 -6.340 1.00 0.00 C ATOM 1314 C LEU A 85 4.985 -14.020 -6.883 1.00 0.00 C ATOM 1315 O LEU A 85 4.043 -14.565 -6.309 1.00 0.00 O ATOM 1316 CB LEU A 85 6.646 -15.444 -5.672 1.00 0.00 C ATOM 1317 CG LEU A 85 6.571 -16.644 -6.617 1.00 0.00 C ATOM 1318 CD1 LEU A 85 7.676 -16.580 -7.656 1.00 0.00 C ATOM 1319 CD2 LEU A 85 6.659 -17.940 -5.837 1.00 0.00 C ATOM 0 H LEU A 85 5.930 -12.937 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 85 7.113 -14.005 -7.160 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.630 -15.429 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.915 -15.579 -4.875 1.00 0.00 H new ATOM 0 HG LEU A 85 5.611 -16.611 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.604 -17.443 -8.318 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.574 -15.665 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.645 -16.585 -7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.604 -18.783 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.604 -17.975 -5.295 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.832 -17.995 -5.129 1.00 0.00 H new ATOM 1331 N VAL A 86 4.850 -13.299 -7.973 1.00 0.00 N ATOM 1332 CA VAL A 86 3.557 -13.097 -8.607 1.00 0.00 C ATOM 1333 C VAL A 86 3.224 -14.313 -9.456 1.00 0.00 C ATOM 1334 O VAL A 86 3.568 -14.375 -10.637 1.00 0.00 O ATOM 1335 CB VAL A 86 3.543 -11.825 -9.487 1.00 0.00 C ATOM 1336 CG1 VAL A 86 2.125 -11.299 -9.663 1.00 0.00 C ATOM 1337 CG2 VAL A 86 4.440 -10.752 -8.895 1.00 0.00 C ATOM 0 H VAL A 86 5.626 -12.836 -8.447 1.00 0.00 H new ATOM 0 HA VAL A 86 2.809 -12.965 -7.825 1.00 0.00 H new ATOM 0 HB VAL A 86 3.930 -12.093 -10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.143 -10.404 -10.286 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.511 -12.062 -10.142 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.704 -11.054 -8.688 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.415 -9.866 -9.530 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.087 -10.493 -7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.462 -11.126 -8.833 1.00 0.00 H new ATOM 1347 N GLY A 87 2.604 -15.305 -8.829 1.00 0.00 N ATOM 1348 CA GLY A 87 2.325 -16.552 -9.508 1.00 0.00 C ATOM 1349 C GLY A 87 3.567 -17.409 -9.607 1.00 0.00 C ATOM 1350 O GLY A 87 3.825 -18.251 -8.744 1.00 0.00 O ATOM 0 H GLY A 87 2.289 -15.266 -7.860 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.547 -17.095 -8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.940 -16.347 -10.507 1.00 0.00 H new ATOM 1354 N GLU A 88 4.347 -17.187 -10.653 1.00 0.00 N ATOM 1355 CA GLU A 88 5.620 -17.872 -10.820 1.00 0.00 C ATOM 1356 C GLU A 88 6.698 -16.902 -11.309 1.00 0.00 C ATOM 1357 O GLU A 88 7.760 -17.315 -11.775 1.00 0.00 O ATOM 1358 CB GLU A 88 5.474 -19.079 -11.765 1.00 0.00 C ATOM 1359 CG GLU A 88 4.461 -18.892 -12.890 1.00 0.00 C ATOM 1360 CD GLU A 88 4.856 -17.818 -13.878 1.00 0.00 C ATOM 1361 OE1 GLU A 88 5.567 -18.136 -14.858 1.00 0.00 O ATOM 1362 OE2 GLU A 88 4.456 -16.655 -13.684 1.00 0.00 O ATOM 0 H GLU A 88 4.120 -16.534 -11.403 1.00 0.00 H new ATOM 0 HA GLU A 88 5.935 -18.253 -9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.447 -19.298 -12.204 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.186 -19.950 -11.177 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.339 -19.836 -13.420 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.492 -18.641 -12.459 1.00 0.00 H new ATOM 1369 N GLN A 89 6.424 -15.608 -11.176 1.00 0.00 N ATOM 1370 CA GLN A 89 7.391 -14.587 -11.544 1.00 0.00 C ATOM 1371 C GLN A 89 8.069 -14.022 -10.304 1.00 0.00 C ATOM 1372 O GLN A 89 7.417 -13.462 -9.419 1.00 0.00 O ATOM 1373 CB GLN A 89 6.721 -13.468 -12.339 1.00 0.00 C ATOM 1374 CG GLN A 89 7.653 -12.308 -12.660 1.00 0.00 C ATOM 1375 CD GLN A 89 7.392 -11.681 -14.017 1.00 0.00 C ATOM 1376 OE1 GLN A 89 8.310 -11.172 -14.659 1.00 0.00 O ATOM 1377 NE2 GLN A 89 6.151 -11.714 -14.466 1.00 0.00 N ATOM 0 H GLN A 89 5.541 -15.245 -10.817 1.00 0.00 H new ATOM 0 HA GLN A 89 8.150 -15.050 -12.175 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.331 -13.878 -13.270 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.868 -13.092 -11.774 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.549 -11.544 -11.889 1.00 0.00 H new ATOM 0 HG3 GLN A 89 8.684 -12.659 -12.623 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.417 -12.145 -13.904 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.926 -11.308 -15.375 1.00 0.00 H new ATOM 1386 N THR A 90 9.381 -14.181 -10.247 1.00 0.00 N ATOM 1387 CA THR A 90 10.160 -13.710 -9.120 1.00 0.00 C ATOM 1388 C THR A 90 10.685 -12.304 -9.397 1.00 0.00 C ATOM 1389 O THR A 90 11.551 -12.113 -10.250 1.00 0.00 O ATOM 1390 CB THR A 90 11.341 -14.658 -8.852 1.00 0.00 C ATOM 1391 OG1 THR A 90 10.891 -16.015 -8.927 1.00 0.00 O ATOM 1392 CG2 THR A 90 11.942 -14.404 -7.483 1.00 0.00 C ATOM 0 H THR A 90 9.930 -14.637 -10.976 1.00 0.00 H new ATOM 0 HA THR A 90 9.517 -13.687 -8.240 1.00 0.00 H new ATOM 0 HB THR A 90 12.106 -14.475 -9.606 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.644 -16.619 -8.758 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.775 -15.088 -7.319 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.300 -13.376 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.184 -14.566 -6.717 1.00 0.00 H new ATOM 1400 N VAL A 91 10.135 -11.328 -8.688 1.00 0.00 N ATOM 1401 CA VAL A 91 10.491 -9.923 -8.887 1.00 0.00 C ATOM 1402 C VAL A 91 10.521 -9.183 -7.554 1.00 0.00 C ATOM 1403 O VAL A 91 9.667 -9.407 -6.704 1.00 0.00 O ATOM 1404 CB VAL A 91 9.487 -9.216 -9.826 1.00 0.00 C ATOM 1405 CG1 VAL A 91 9.730 -9.600 -11.277 1.00 0.00 C ATOM 1406 CG2 VAL A 91 8.056 -9.551 -9.425 1.00 0.00 C ATOM 0 H VAL A 91 9.434 -11.482 -7.963 1.00 0.00 H new ATOM 0 HA VAL A 91 11.481 -9.903 -9.343 1.00 0.00 H new ATOM 0 HB VAL A 91 9.637 -8.141 -9.729 1.00 0.00 H new ATOM 0 HG11 VAL A 91 9.009 -9.088 -11.914 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.740 -9.310 -11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.615 -10.678 -11.392 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.362 -9.045 -10.096 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.903 -10.628 -9.489 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.878 -9.220 -8.402 1.00 0.00 H new ATOM 1416 N ASP A 92 11.498 -8.311 -7.366 1.00 0.00 N ATOM 1417 CA ASP A 92 11.572 -7.524 -6.142 1.00 0.00 C ATOM 1418 C ASP A 92 10.673 -6.300 -6.245 1.00 0.00 C ATOM 1419 O ASP A 92 10.536 -5.696 -7.313 1.00 0.00 O ATOM 1420 CB ASP A 92 13.017 -7.098 -5.830 1.00 0.00 C ATOM 1421 CG ASP A 92 13.659 -6.300 -6.947 1.00 0.00 C ATOM 1422 OD1 ASP A 92 14.206 -6.921 -7.883 1.00 0.00 O ATOM 1423 OD2 ASP A 92 13.636 -5.053 -6.886 1.00 0.00 O ATOM 0 H ASP A 92 12.245 -8.130 -8.037 1.00 0.00 H new ATOM 0 HA ASP A 92 11.226 -8.153 -5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.024 -6.503 -4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 92 13.617 -7.987 -5.636 1.00 0.00 H new ATOM 1428 N VAL A 93 10.031 -5.968 -5.141 1.00 0.00 N ATOM 1429 CA VAL A 93 9.190 -4.785 -5.058 1.00 0.00 C ATOM 1430 C VAL A 93 9.585 -3.963 -3.839 1.00 0.00 C ATOM 1431 O VAL A 93 10.090 -4.505 -2.860 1.00 0.00 O ATOM 1432 CB VAL A 93 7.692 -5.148 -4.978 1.00 0.00 C ATOM 1433 CG1 VAL A 93 7.208 -5.757 -6.287 1.00 0.00 C ATOM 1434 CG2 VAL A 93 7.434 -6.101 -3.824 1.00 0.00 C ATOM 0 H VAL A 93 10.076 -6.508 -4.277 1.00 0.00 H new ATOM 0 HA VAL A 93 9.342 -4.203 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 93 7.132 -4.229 -4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.150 -6.004 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.351 -5.041 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.776 -6.663 -6.499 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.372 -6.345 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.011 -7.014 -3.970 1.00 0.00 H new ATOM 0 HG23 VAL A 93 7.733 -5.629 -2.888 1.00 0.00 H new ATOM 1444 N VAL A 94 9.357 -2.665 -3.895 1.00 0.00 N ATOM 1445 CA VAL A 94 9.808 -1.781 -2.836 1.00 0.00 C ATOM 1446 C VAL A 94 8.849 -1.792 -1.656 1.00 0.00 C ATOM 1447 O VAL A 94 7.657 -1.535 -1.808 1.00 0.00 O ATOM 1448 CB VAL A 94 9.988 -0.338 -3.341 1.00 0.00 C ATOM 1449 CG1 VAL A 94 10.399 0.573 -2.195 1.00 0.00 C ATOM 1450 CG2 VAL A 94 11.018 -0.300 -4.458 1.00 0.00 C ATOM 0 H VAL A 94 8.865 -2.200 -4.658 1.00 0.00 H new ATOM 0 HA VAL A 94 10.776 -2.158 -2.505 1.00 0.00 H new ATOM 0 HB VAL A 94 9.038 0.020 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 94 10.523 1.591 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.628 0.559 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.341 0.224 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.138 0.725 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.973 -0.670 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.683 -0.928 -5.283 1.00 0.00 H new ATOM 1460 N ASP A 95 9.390 -2.111 -0.494 1.00 0.00 N ATOM 1461 CA ASP A 95 8.631 -2.118 0.745 1.00 0.00 C ATOM 1462 C ASP A 95 8.644 -0.733 1.363 1.00 0.00 C ATOM 1463 O ASP A 95 9.704 -0.120 1.516 1.00 0.00 O ATOM 1464 CB ASP A 95 9.232 -3.146 1.712 1.00 0.00 C ATOM 1465 CG ASP A 95 8.439 -3.319 2.998 1.00 0.00 C ATOM 1466 OD1 ASP A 95 7.337 -2.749 3.115 1.00 0.00 O ATOM 1467 OD2 ASP A 95 8.915 -4.053 3.890 1.00 0.00 O ATOM 0 H ASP A 95 10.369 -2.373 -0.382 1.00 0.00 H new ATOM 0 HA ASP A 95 7.598 -2.396 0.538 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.300 -4.109 1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.249 -2.844 1.962 1.00 0.00 H new ATOM 1472 N GLU A 96 7.465 -0.244 1.702 1.00 0.00 N ATOM 1473 CA GLU A 96 7.328 1.057 2.325 1.00 0.00 C ATOM 1474 C GLU A 96 7.745 0.986 3.792 1.00 0.00 C ATOM 1475 O GLU A 96 7.814 2.003 4.488 1.00 0.00 O ATOM 1476 CB GLU A 96 5.887 1.551 2.188 1.00 0.00 C ATOM 1477 CG GLU A 96 5.723 2.702 1.204 1.00 0.00 C ATOM 1478 CD GLU A 96 6.282 2.413 -0.177 1.00 0.00 C ATOM 1479 OE1 GLU A 96 7.472 2.709 -0.419 1.00 0.00 O ATOM 1480 OE2 GLU A 96 5.521 1.934 -1.048 1.00 0.00 O ATOM 0 H GLU A 96 6.583 -0.734 1.554 1.00 0.00 H new ATOM 0 HA GLU A 96 7.984 1.767 1.821 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.257 0.721 1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.527 1.868 3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.664 2.942 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.217 3.586 1.608 1.00 0.00 H new ATOM 1487 N GLY A 97 8.014 -0.227 4.260 1.00 0.00 N ATOM 1488 CA GLY A 97 8.560 -0.402 5.583 1.00 0.00 C ATOM 1489 C GLY A 97 7.688 -1.268 6.459 1.00 0.00 C ATOM 1490 O GLY A 97 6.481 -1.397 6.226 1.00 0.00 O ATOM 0 H GLY A 97 7.862 -1.092 3.741 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.551 -0.849 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.686 0.574 6.052 1.00 0.00 H new ATOM 1494 N GLU A 98 8.285 -1.839 7.494 1.00 0.00 N ATOM 1495 CA GLU A 98 7.545 -2.673 8.431 1.00 0.00 C ATOM 1496 C GLU A 98 6.592 -1.819 9.265 1.00 0.00 C ATOM 1497 O GLU A 98 5.722 -2.338 9.966 1.00 0.00 O ATOM 1498 CB GLU A 98 8.505 -3.460 9.325 1.00 0.00 C ATOM 1499 CG GLU A 98 9.537 -2.599 10.034 1.00 0.00 C ATOM 1500 CD GLU A 98 10.606 -3.426 10.711 1.00 0.00 C ATOM 1501 OE1 GLU A 98 11.556 -3.854 10.019 1.00 0.00 O ATOM 1502 OE2 GLU A 98 10.502 -3.659 11.933 1.00 0.00 O ATOM 0 H GLU A 98 9.278 -1.741 7.707 1.00 0.00 H new ATOM 0 HA GLU A 98 6.950 -3.390 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.926 -4.004 10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.022 -4.204 8.719 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.003 -1.927 9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.039 -1.975 10.776 1.00 0.00 H new ATOM 1509 N LEU A 99 6.764 -0.507 9.169 1.00 0.00 N ATOM 1510 CA LEU A 99 5.830 0.439 9.764 1.00 0.00 C ATOM 1511 C LEU A 99 4.491 0.309 9.054 1.00 0.00 C ATOM 1512 O LEU A 99 3.430 0.305 9.675 1.00 0.00 O ATOM 1513 CB LEU A 99 6.353 1.871 9.611 1.00 0.00 C ATOM 1514 CG LEU A 99 7.842 2.060 9.906 1.00 0.00 C ATOM 1515 CD1 LEU A 99 8.252 3.509 9.675 1.00 0.00 C ATOM 1516 CD2 LEU A 99 8.170 1.633 11.331 1.00 0.00 C ATOM 0 H LEU A 99 7.547 -0.072 8.681 1.00 0.00 H new ATOM 0 HA LEU A 99 5.718 0.222 10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 99 6.156 2.205 8.592 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.783 2.521 10.275 1.00 0.00 H new ATOM 0 HG LEU A 99 8.408 1.427 9.222 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.314 3.625 9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.060 3.780 8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.676 4.160 10.333 1.00 0.00 H new ATOM 0 HD21 LEU A 99 9.234 1.776 11.518 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.594 2.236 12.033 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.917 0.581 11.463 1.00 0.00 H new ATOM 1528 N ALA A 100 4.569 0.174 7.736 1.00 0.00 N ATOM 1529 CA ALA A 100 3.393 0.003 6.906 1.00 0.00 C ATOM 1530 C ALA A 100 2.807 -1.388 7.111 1.00 0.00 C ATOM 1531 O ALA A 100 1.591 -1.578 7.068 1.00 0.00 O ATOM 1532 CB ALA A 100 3.754 0.229 5.447 1.00 0.00 C ATOM 0 H ALA A 100 5.448 0.180 7.218 1.00 0.00 H new ATOM 0 HA ALA A 100 2.639 0.737 7.193 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.866 0.099 4.828 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.140 1.240 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.515 -0.490 5.145 1.00 0.00 H new ATOM 1538 N ALA A 101 3.689 -2.356 7.338 1.00 0.00 N ATOM 1539 CA ALA A 101 3.272 -3.716 7.645 1.00 0.00 C ATOM 1540 C ALA A 101 2.418 -3.741 8.910 1.00 0.00 C ATOM 1541 O ALA A 101 1.328 -4.306 8.921 1.00 0.00 O ATOM 1542 CB ALA A 101 4.486 -4.622 7.804 1.00 0.00 C ATOM 0 H ALA A 101 4.700 -2.221 7.315 1.00 0.00 H new ATOM 0 HA ALA A 101 2.670 -4.087 6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.156 -5.635 8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.059 -4.628 6.877 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.112 -4.252 8.616 1.00 0.00 H new ATOM 1548 N ALA A 102 2.913 -3.112 9.972 1.00 0.00 N ATOM 1549 CA ALA A 102 2.172 -3.030 11.226 1.00 0.00 C ATOM 1550 C ALA A 102 0.862 -2.271 11.030 1.00 0.00 C ATOM 1551 O ALA A 102 -0.200 -2.706 11.488 1.00 0.00 O ATOM 1552 CB ALA A 102 3.020 -2.365 12.303 1.00 0.00 C ATOM 0 H ALA A 102 3.823 -2.652 9.989 1.00 0.00 H new ATOM 0 HA ALA A 102 1.934 -4.043 11.550 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.452 -2.312 13.232 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.926 -2.949 12.465 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.289 -1.358 11.984 1.00 0.00 H new ATOM 1558 N TRP A 103 0.944 -1.157 10.318 1.00 0.00 N ATOM 1559 CA TRP A 103 -0.213 -0.305 10.068 1.00 0.00 C ATOM 1560 C TRP A 103 -1.369 -1.099 9.459 1.00 0.00 C ATOM 1561 O TRP A 103 -2.520 -0.962 9.883 1.00 0.00 O ATOM 1562 CB TRP A 103 0.192 0.844 9.137 1.00 0.00 C ATOM 1563 CG TRP A 103 -0.876 1.876 8.931 1.00 0.00 C ATOM 1564 CD1 TRP A 103 -1.285 2.821 9.825 1.00 0.00 C ATOM 1565 CD2 TRP A 103 -1.657 2.078 7.747 1.00 0.00 C ATOM 1566 NE1 TRP A 103 -2.277 3.593 9.273 1.00 0.00 N ATOM 1567 CE2 TRP A 103 -2.523 3.157 8.002 1.00 0.00 C ATOM 1568 CE3 TRP A 103 -1.711 1.451 6.499 1.00 0.00 C ATOM 1569 CZ2 TRP A 103 -3.432 3.622 7.055 1.00 0.00 C ATOM 1570 CZ3 TRP A 103 -2.615 1.915 5.561 1.00 0.00 C ATOM 1571 CH2 TRP A 103 -3.464 2.989 5.844 1.00 0.00 C ATOM 0 H TRP A 103 1.809 -0.818 9.898 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.557 0.099 11.020 1.00 0.00 H new ATOM 0 HB2 TRP A 103 1.078 1.331 9.544 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.473 0.430 8.169 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.887 2.944 10.821 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -2.753 4.367 9.737 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.059 0.620 6.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -4.088 4.453 7.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -2.666 1.439 4.593 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -4.160 3.326 5.090 1.00 0.00 H new ATOM 1582 N ILE A 104 -1.073 -1.948 8.482 1.00 0.00 N ATOM 1583 CA ILE A 104 -2.130 -2.682 7.812 1.00 0.00 C ATOM 1584 C ILE A 104 -2.374 -4.052 8.455 1.00 0.00 C ATOM 1585 O ILE A 104 -3.455 -4.615 8.317 1.00 0.00 O ATOM 1586 CB ILE A 104 -1.876 -2.822 6.293 1.00 0.00 C ATOM 1587 CG1 ILE A 104 -3.202 -2.691 5.539 1.00 0.00 C ATOM 1588 CG2 ILE A 104 -1.213 -4.149 5.956 1.00 0.00 C ATOM 1589 CD1 ILE A 104 -3.949 -1.408 5.847 1.00 0.00 C ATOM 0 H ILE A 104 -0.130 -2.140 8.144 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.037 -2.091 7.937 1.00 0.00 H new ATOM 0 HB ILE A 104 -1.197 -2.027 5.987 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -3.008 -2.741 4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.838 -3.541 5.788 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -1.050 -4.212 4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -0.256 -4.219 6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.857 -4.969 6.274 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.878 -1.383 5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -4.174 -1.365 6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -3.332 -0.553 5.572 1.00 0.00 H new ATOM 1601 N SER A 105 -1.405 -4.584 9.189 1.00 0.00 N ATOM 1602 CA SER A 105 -1.651 -5.822 9.918 1.00 0.00 C ATOM 1603 C SER A 105 -2.649 -5.563 11.044 1.00 0.00 C ATOM 1604 O SER A 105 -3.190 -6.490 11.640 1.00 0.00 O ATOM 1605 CB SER A 105 -0.353 -6.434 10.458 1.00 0.00 C ATOM 1606 OG SER A 105 0.382 -5.505 11.231 1.00 0.00 O ATOM 0 H SER A 105 -0.469 -4.193 9.295 1.00 0.00 H new ATOM 0 HA SER A 105 -2.075 -6.549 9.226 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.588 -7.308 11.066 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.260 -6.780 9.626 1.00 0.00 H new ATOM 0 HG SER A 105 -0.085 -4.643 11.238 1.00 0.00 H new ATOM 1612 N ASN A 106 -2.877 -4.285 11.327 1.00 0.00 N ATOM 1613 CA ASN A 106 -3.949 -3.879 12.225 1.00 0.00 C ATOM 1614 C ASN A 106 -5.283 -3.747 11.479 1.00 0.00 C ATOM 1615 O ASN A 106 -6.312 -4.231 11.948 1.00 0.00 O ATOM 1616 CB ASN A 106 -3.597 -2.555 12.910 1.00 0.00 C ATOM 1617 CG ASN A 106 -2.722 -2.742 14.134 1.00 0.00 C ATOM 1618 OD1 ASN A 106 -3.221 -2.905 15.247 1.00 0.00 O ATOM 1619 ND2 ASN A 106 -1.412 -2.718 13.945 1.00 0.00 N ATOM 0 H ASN A 106 -2.332 -3.512 10.946 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.060 -4.655 12.982 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.085 -1.908 12.198 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.516 -2.046 13.200 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.780 -2.837 14.737 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.034 -2.581 13.007 1.00 0.00 H new ATOM 1626 N HIS A 107 -5.262 -3.100 10.313 1.00 0.00 N ATOM 1627 CA HIS A 107 -6.494 -2.856 9.547 1.00 0.00 C ATOM 1628 C HIS A 107 -6.927 -4.097 8.761 1.00 0.00 C ATOM 1629 O HIS A 107 -8.105 -4.449 8.734 1.00 0.00 O ATOM 1630 CB HIS A 107 -6.307 -1.666 8.595 1.00 0.00 C ATOM 1631 CG HIS A 107 -7.510 -1.360 7.744 1.00 0.00 C ATOM 1632 ND1 HIS A 107 -8.704 -0.907 8.258 1.00 0.00 N ATOM 1633 CD2 HIS A 107 -7.692 -1.439 6.401 1.00 0.00 C ATOM 1634 CE1 HIS A 107 -9.564 -0.720 7.275 1.00 0.00 C ATOM 1635 NE2 HIS A 107 -8.978 -1.038 6.135 1.00 0.00 N ATOM 0 H HIS A 107 -4.414 -2.736 9.877 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.283 -2.621 10.261 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -6.057 -0.782 9.182 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.457 -1.867 7.943 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.959 -1.759 5.675 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.578 -0.366 7.384 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.409 -0.993 5.211 1.00 0.00 H new ATOM 1644 N ALA A 108 -5.976 -4.734 8.095 1.00 0.00 N ATOM 1645 CA ALA A 108 -6.241 -5.966 7.369 1.00 0.00 C ATOM 1646 C ALA A 108 -6.287 -7.124 8.347 1.00 0.00 C ATOM 1647 O ALA A 108 -7.054 -8.073 8.179 1.00 0.00 O ATOM 1648 CB ALA A 108 -5.179 -6.209 6.304 1.00 0.00 C ATOM 0 H ALA A 108 -5.008 -4.416 8.043 1.00 0.00 H new ATOM 0 HA ALA A 108 -7.203 -5.880 6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.400 -7.136 5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.177 -5.380 5.597 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.200 -6.285 6.777 1.00 0.00 H new ATOM 1654 N GLY A 109 -5.452 -7.034 9.372 1.00 0.00 N ATOM 1655 CA GLY A 109 -5.481 -8.021 10.443 1.00 0.00 C ATOM 1656 C GLY A 109 -4.582 -9.209 10.172 1.00 0.00 C ATOM 1657 O GLY A 109 -4.439 -10.100 11.011 1.00 0.00 O ATOM 0 H GLY A 109 -4.755 -6.298 9.485 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.177 -7.547 11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.504 -8.370 10.582 1.00 0.00 H new ATOM 1661 N VAL A 110 -3.977 -9.221 8.999 1.00 0.00 N ATOM 1662 CA VAL A 110 -3.090 -10.298 8.603 1.00 0.00 C ATOM 1663 C VAL A 110 -1.699 -9.752 8.310 1.00 0.00 C ATOM 1664 O VAL A 110 -1.544 -8.550 8.078 1.00 0.00 O ATOM 1665 CB VAL A 110 -3.637 -11.042 7.366 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -4.858 -11.864 7.736 1.00 0.00 C ATOM 1667 CG2 VAL A 110 -3.982 -10.061 6.254 1.00 0.00 C ATOM 0 H VAL A 110 -4.086 -8.489 8.297 1.00 0.00 H new ATOM 0 HA VAL A 110 -3.030 -11.007 9.429 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.859 -11.714 7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.230 -12.381 6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.587 -12.595 8.497 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.635 -11.206 8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.365 -10.608 5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.740 -9.362 6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.087 -9.509 5.965 1.00 0.00 H new ATOM 1677 N PRO A 111 -0.666 -10.615 8.340 1.00 0.00 N ATOM 1678 CA PRO A 111 0.717 -10.206 8.081 1.00 0.00 C ATOM 1679 C PRO A 111 0.929 -9.789 6.631 1.00 0.00 C ATOM 1680 O PRO A 111 1.277 -10.605 5.778 1.00 0.00 O ATOM 1681 CB PRO A 111 1.552 -11.453 8.412 1.00 0.00 C ATOM 1682 CG PRO A 111 0.624 -12.377 9.125 1.00 0.00 C ATOM 1683 CD PRO A 111 -0.755 -12.051 8.632 1.00 0.00 C ATOM 0 HA PRO A 111 0.995 -9.337 8.677 1.00 0.00 H new ATOM 0 HB2 PRO A 111 1.945 -11.914 7.506 1.00 0.00 H new ATOM 0 HB3 PRO A 111 2.408 -11.198 9.037 1.00 0.00 H new ATOM 0 HG2 PRO A 111 0.875 -13.417 8.918 1.00 0.00 H new ATOM 0 HG3 PRO A 111 0.693 -12.241 10.204 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -1.014 -12.629 7.745 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -1.514 -12.264 9.384 1.00 0.00 H new ATOM 1691 N CYS A 112 0.680 -8.520 6.363 1.00 0.00 N ATOM 1692 CA CYS A 112 0.837 -7.968 5.031 1.00 0.00 C ATOM 1693 C CYS A 112 1.571 -6.637 5.099 1.00 0.00 C ATOM 1694 O CYS A 112 1.536 -5.956 6.125 1.00 0.00 O ATOM 1695 CB CYS A 112 -0.530 -7.781 4.375 1.00 0.00 C ATOM 1696 SG CYS A 112 -1.470 -9.308 4.158 1.00 0.00 S ATOM 0 H CYS A 112 0.364 -7.846 7.060 1.00 0.00 H new ATOM 0 HA CYS A 112 1.424 -8.663 4.430 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.118 -7.090 4.979 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -0.391 -7.313 3.400 1.00 0.00 H new ATOM 0 HG CYS A 112 -2.685 -9.022 3.796 1.00 0.00 H new ATOM 1702 N ARG A 113 2.236 -6.269 4.017 1.00 0.00 N ATOM 1703 CA ARG A 113 2.926 -4.994 3.954 1.00 0.00 C ATOM 1704 C ARG A 113 2.646 -4.321 2.622 1.00 0.00 C ATOM 1705 O ARG A 113 2.374 -4.996 1.625 1.00 0.00 O ATOM 1706 CB ARG A 113 4.434 -5.180 4.168 1.00 0.00 C ATOM 1707 CG ARG A 113 5.120 -6.025 3.107 1.00 0.00 C ATOM 1708 CD ARG A 113 6.577 -6.283 3.460 1.00 0.00 C ATOM 1709 NE ARG A 113 6.720 -7.145 4.638 1.00 0.00 N ATOM 1710 CZ ARG A 113 7.808 -7.174 5.413 1.00 0.00 C ATOM 1711 NH1 ARG A 113 8.799 -6.311 5.220 1.00 0.00 N ATOM 1712 NH2 ARG A 113 7.891 -8.038 6.416 1.00 0.00 N ATOM 0 H ARG A 113 2.312 -6.835 3.172 1.00 0.00 H new ATOM 0 HA ARG A 113 2.554 -4.353 4.753 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.908 -4.199 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.596 -5.641 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 113 4.596 -6.975 3.001 1.00 0.00 H new ATOM 0 HG3 ARG A 113 5.062 -5.520 2.143 1.00 0.00 H new ATOM 0 HD2 ARG A 113 7.078 -6.747 2.610 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.078 -5.333 3.645 1.00 0.00 H new ATOM 0 HE ARG A 113 5.942 -7.759 4.880 1.00 0.00 H new ATOM 0 HH11 ARG A 113 8.734 -5.618 4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 113 9.625 -6.341 5.817 1.00 0.00 H new ATOM 0 HH21 ARG A 113 7.122 -8.684 6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 113 8.723 -8.057 7.005 1.00 0.00 H new ATOM 1726 N ILE A 114 2.692 -2.998 2.613 1.00 0.00 N ATOM 1727 CA ILE A 114 2.408 -2.234 1.410 1.00 0.00 C ATOM 1728 C ILE A 114 3.654 -2.157 0.537 1.00 0.00 C ATOM 1729 O ILE A 114 4.692 -1.648 0.957 1.00 0.00 O ATOM 1730 CB ILE A 114 1.901 -0.814 1.751 1.00 0.00 C ATOM 1731 CG1 ILE A 114 0.657 -0.907 2.643 1.00 0.00 C ATOM 1732 CG2 ILE A 114 1.590 -0.036 0.476 1.00 0.00 C ATOM 1733 CD1 ILE A 114 0.069 0.433 3.030 1.00 0.00 C ATOM 0 H ILE A 114 2.924 -2.430 3.428 1.00 0.00 H new ATOM 0 HA ILE A 114 1.617 -2.746 0.861 1.00 0.00 H new ATOM 0 HB ILE A 114 2.683 -0.280 2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.105 -1.489 2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.914 -1.454 3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.234 0.961 0.736 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.493 0.047 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.820 -0.559 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.807 0.278 3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 114 0.812 1.012 3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.223 0.976 2.131 1.00 0.00 H new ATOM 1745 N LEU A 115 3.539 -2.676 -0.674 1.00 0.00 N ATOM 1746 CA LEU A 115 4.672 -2.799 -1.568 1.00 0.00 C ATOM 1747 C LEU A 115 4.412 -2.060 -2.872 1.00 0.00 C ATOM 1748 O LEU A 115 3.340 -2.177 -3.469 1.00 0.00 O ATOM 1749 CB LEU A 115 4.952 -4.277 -1.843 1.00 0.00 C ATOM 1750 CG LEU A 115 5.482 -5.071 -0.647 1.00 0.00 C ATOM 1751 CD1 LEU A 115 5.335 -6.559 -0.885 1.00 0.00 C ATOM 1752 CD2 LEU A 115 6.935 -4.736 -0.401 1.00 0.00 C ATOM 0 H LEU A 115 2.661 -3.022 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 115 5.544 -2.351 -1.092 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.032 -4.746 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.675 -4.349 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 115 4.896 -4.797 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.718 -7.105 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.282 -6.802 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.899 -6.843 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 115 7.301 -5.307 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.521 -4.988 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.033 -3.670 -0.193 1.00 0.00 H new ATOM 1764 N LYS A 116 5.397 -1.301 -3.303 1.00 0.00 N ATOM 1765 CA LYS A 116 5.304 -0.552 -4.539 1.00 0.00 C ATOM 1766 C LYS A 116 6.175 -1.190 -5.611 1.00 0.00 C ATOM 1767 O LYS A 116 7.359 -1.457 -5.389 1.00 0.00 O ATOM 1768 CB LYS A 116 5.722 0.901 -4.300 1.00 0.00 C ATOM 1769 CG LYS A 116 5.791 1.741 -5.563 1.00 0.00 C ATOM 1770 CD LYS A 116 6.026 3.218 -5.261 1.00 0.00 C ATOM 1771 CE LYS A 116 7.275 3.451 -4.416 1.00 0.00 C ATOM 1772 NZ LYS A 116 7.018 3.268 -2.958 1.00 0.00 N ATOM 0 H LYS A 116 6.282 -1.186 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 116 4.271 -0.566 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.017 1.362 -3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.698 0.912 -3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 116 6.594 1.370 -6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 116 4.862 1.630 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 116 6.118 3.767 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.158 3.621 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.058 2.763 -4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 116 7.647 4.460 -4.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 7.129 4.179 -2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 6.050 2.916 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 7.696 2.582 -2.569 1.00 0.00 H new ATOM 1786 N VAL A 117 5.587 -1.444 -6.769 1.00 0.00 N ATOM 1787 CA VAL A 117 6.316 -2.045 -7.871 1.00 0.00 C ATOM 1788 C VAL A 117 7.303 -1.045 -8.455 1.00 0.00 C ATOM 1789 O VAL A 117 6.915 0.030 -8.916 1.00 0.00 O ATOM 1790 CB VAL A 117 5.366 -2.541 -8.982 1.00 0.00 C ATOM 1791 CG1 VAL A 117 6.143 -3.204 -10.114 1.00 0.00 C ATOM 1792 CG2 VAL A 117 4.335 -3.500 -8.408 1.00 0.00 C ATOM 0 H VAL A 117 4.607 -1.243 -6.969 1.00 0.00 H new ATOM 0 HA VAL A 117 6.855 -2.906 -7.476 1.00 0.00 H new ATOM 0 HB VAL A 117 4.846 -1.676 -9.394 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.448 -3.544 -10.882 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.840 -2.486 -10.547 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.698 -4.057 -9.724 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.673 -3.841 -9.204 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.842 -4.357 -7.966 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.750 -2.990 -7.643 1.00 0.00 H new ATOM 1802 N HIS A 118 8.579 -1.398 -8.399 1.00 0.00 N ATOM 1803 CA HIS A 118 9.635 -0.570 -8.962 1.00 0.00 C ATOM 1804 C HIS A 118 9.418 -0.435 -10.472 1.00 0.00 C ATOM 1805 O HIS A 118 9.311 -1.441 -11.177 1.00 0.00 O ATOM 1806 CB HIS A 118 10.998 -1.201 -8.652 1.00 0.00 C ATOM 1807 CG HIS A 118 12.184 -0.334 -8.952 1.00 0.00 C ATOM 1808 ND1 HIS A 118 13.058 -0.592 -9.980 1.00 0.00 N ATOM 1809 CD2 HIS A 118 12.659 0.768 -8.328 1.00 0.00 C ATOM 1810 CE1 HIS A 118 14.021 0.309 -9.977 1.00 0.00 C ATOM 1811 NE2 HIS A 118 13.806 1.149 -8.981 1.00 0.00 N ATOM 0 H HIS A 118 8.910 -2.260 -7.965 1.00 0.00 H new ATOM 0 HA HIS A 118 9.611 0.426 -8.519 1.00 0.00 H new ATOM 0 HB2 HIS A 118 11.024 -1.472 -7.597 1.00 0.00 H new ATOM 0 HB3 HIS A 118 11.091 -2.126 -9.221 1.00 0.00 H new ATOM 0 HD2 HIS A 118 12.217 1.258 -7.473 1.00 0.00 H new ATOM 0 HE1 HIS A 118 14.846 0.353 -10.672 1.00 0.00 H new ATOM 0 HE2 HIS A 118 14.393 1.947 -8.737 1.00 0.00 H new ATOM 1820 N PRO A 119 9.344 0.812 -10.977 1.00 0.00 N ATOM 1821 CA PRO A 119 8.977 1.110 -12.379 1.00 0.00 C ATOM 1822 C PRO A 119 10.036 0.699 -13.404 1.00 0.00 C ATOM 1823 O PRO A 119 10.228 1.368 -14.418 1.00 0.00 O ATOM 1824 CB PRO A 119 8.805 2.632 -12.375 1.00 0.00 C ATOM 1825 CG PRO A 119 9.681 3.102 -11.271 1.00 0.00 C ATOM 1826 CD PRO A 119 9.599 2.046 -10.209 1.00 0.00 C ATOM 0 HA PRO A 119 8.091 0.550 -12.679 1.00 0.00 H new ATOM 0 HB2 PRO A 119 9.101 3.067 -13.329 1.00 0.00 H new ATOM 0 HB3 PRO A 119 7.766 2.914 -12.205 1.00 0.00 H new ATOM 0 HG2 PRO A 119 10.707 3.233 -11.614 1.00 0.00 H new ATOM 0 HG3 PRO A 119 9.347 4.067 -10.890 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.524 1.979 -9.636 1.00 0.00 H new ATOM 0 HD3 PRO A 119 8.798 2.251 -9.499 1.00 0.00 H new ATOM 1834 N ASP A 120 10.709 -0.406 -13.141 1.00 0.00 N ATOM 1835 CA ASP A 120 11.659 -0.966 -14.086 1.00 0.00 C ATOM 1836 C ASP A 120 11.208 -2.366 -14.500 1.00 0.00 C ATOM 1837 O ASP A 120 11.430 -2.792 -15.630 1.00 0.00 O ATOM 1838 CB ASP A 120 13.064 -0.997 -13.481 1.00 0.00 C ATOM 1839 CG ASP A 120 14.101 -1.579 -14.420 1.00 0.00 C ATOM 1840 OD1 ASP A 120 14.361 -0.975 -15.480 1.00 0.00 O ATOM 1841 OD2 ASP A 120 14.676 -2.633 -14.092 1.00 0.00 O ATOM 0 H ASP A 120 10.615 -0.937 -12.275 1.00 0.00 H new ATOM 0 HA ASP A 120 11.695 -0.335 -14.974 1.00 0.00 H new ATOM 0 HB2 ASP A 120 13.358 0.016 -13.207 1.00 0.00 H new ATOM 0 HB3 ASP A 120 13.045 -1.583 -12.562 1.00 0.00 H new ATOM 1846 N MET A 121 10.554 -3.067 -13.573 1.00 0.00 N ATOM 1847 CA MET A 121 9.992 -4.386 -13.860 1.00 0.00 C ATOM 1848 C MET A 121 8.698 -4.253 -14.647 1.00 0.00 C ATOM 1849 O MET A 121 8.574 -4.795 -15.748 1.00 0.00 O ATOM 1850 CB MET A 121 9.720 -5.165 -12.567 1.00 0.00 C ATOM 1851 CG MET A 121 10.975 -5.552 -11.807 1.00 0.00 C ATOM 1852 SD MET A 121 12.075 -6.610 -12.766 1.00 0.00 S ATOM 1853 CE MET A 121 13.440 -6.795 -11.620 1.00 0.00 C ATOM 0 H MET A 121 10.401 -2.743 -12.618 1.00 0.00 H new ATOM 0 HA MET A 121 10.724 -4.934 -14.453 1.00 0.00 H new ATOM 0 HB2 MET A 121 9.085 -4.562 -11.918 1.00 0.00 H new ATOM 0 HB3 MET A 121 9.161 -6.069 -12.810 1.00 0.00 H new ATOM 0 HG2 MET A 121 11.511 -4.649 -11.515 1.00 0.00 H new ATOM 0 HG3 MET A 121 10.694 -6.066 -10.888 1.00 0.00 H new ATOM 0 HE1 MET A 121 14.208 -7.426 -12.067 1.00 0.00 H new ATOM 0 HE2 MET A 121 13.862 -5.815 -11.395 1.00 0.00 H new ATOM 0 HE3 MET A 121 13.082 -7.256 -10.699 1.00 0.00 H new ATOM 1863 N ALA A 122 7.740 -3.529 -14.055 1.00 0.00 N ATOM 1864 CA ALA A 122 6.432 -3.254 -14.665 1.00 0.00 C ATOM 1865 C ALA A 122 5.568 -4.510 -14.783 1.00 0.00 C ATOM 1866 O ALA A 122 4.539 -4.625 -14.116 1.00 0.00 O ATOM 1867 CB ALA A 122 6.593 -2.578 -16.023 1.00 0.00 C ATOM 0 H ALA A 122 7.852 -3.113 -13.130 1.00 0.00 H new ATOM 0 HA ALA A 122 5.910 -2.569 -13.996 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.610 -2.386 -16.453 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.126 -1.635 -15.899 1.00 0.00 H new ATOM 0 HB3 ALA A 122 7.159 -3.230 -16.689 1.00 0.00 H new ATOM 1873 N GLU A 123 5.987 -5.444 -15.621 1.00 0.00 N ATOM 1874 CA GLU A 123 5.214 -6.646 -15.873 1.00 0.00 C ATOM 1875 C GLU A 123 5.526 -7.725 -14.854 1.00 0.00 C ATOM 1876 O GLU A 123 6.634 -8.256 -14.794 1.00 0.00 O ATOM 1877 CB GLU A 123 5.458 -7.166 -17.287 1.00 0.00 C ATOM 1878 CG GLU A 123 4.882 -6.262 -18.361 1.00 0.00 C ATOM 1879 CD GLU A 123 4.991 -6.861 -19.745 1.00 0.00 C ATOM 1880 OE1 GLU A 123 4.054 -7.570 -20.162 1.00 0.00 O ATOM 1881 OE2 GLU A 123 6.012 -6.623 -20.426 1.00 0.00 O ATOM 0 H GLU A 123 6.863 -5.391 -16.140 1.00 0.00 H new ATOM 0 HA GLU A 123 4.160 -6.383 -15.778 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.531 -7.274 -17.448 1.00 0.00 H new ATOM 0 HB3 GLU A 123 5.020 -8.159 -17.383 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.834 -6.061 -18.138 1.00 0.00 H new ATOM 0 HG3 GLU A 123 5.402 -5.304 -18.342 1.00 0.00 H new ATOM 1888 N VAL A 124 4.529 -8.028 -14.053 1.00 0.00 N ATOM 1889 CA VAL A 124 4.627 -9.055 -13.033 1.00 0.00 C ATOM 1890 C VAL A 124 3.665 -10.188 -13.349 1.00 0.00 C ATOM 1891 O VAL A 124 3.840 -11.318 -12.890 1.00 0.00 O ATOM 1892 CB VAL A 124 4.281 -8.481 -11.656 1.00 0.00 C ATOM 1893 CG1 VAL A 124 5.380 -7.564 -11.159 1.00 0.00 C ATOM 1894 CG2 VAL A 124 2.982 -7.719 -11.749 1.00 0.00 C ATOM 0 H VAL A 124 3.620 -7.567 -14.089 1.00 0.00 H new ATOM 0 HA VAL A 124 5.651 -9.428 -13.020 1.00 0.00 H new ATOM 0 HB VAL A 124 4.180 -9.304 -10.948 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.110 -7.170 -10.179 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.312 -8.123 -11.080 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.510 -6.739 -11.859 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.730 -7.308 -10.771 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.087 -6.907 -12.468 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.188 -8.391 -12.075 1.00 0.00 H new ATOM 1904 N ARG A 125 2.646 -9.856 -14.138 1.00 0.00 N ATOM 1905 CA ARG A 125 1.655 -10.818 -14.602 1.00 0.00 C ATOM 1906 C ARG A 125 0.903 -11.452 -13.436 1.00 0.00 C ATOM 1907 O ARG A 125 1.058 -12.643 -13.156 1.00 0.00 O ATOM 1908 CB ARG A 125 2.313 -11.897 -15.466 1.00 0.00 C ATOM 1909 CG ARG A 125 3.132 -11.333 -16.613 1.00 0.00 C ATOM 1910 CD ARG A 125 3.906 -12.422 -17.330 1.00 0.00 C ATOM 1911 NE ARG A 125 3.033 -13.336 -18.063 1.00 0.00 N ATOM 1912 CZ ARG A 125 3.127 -14.661 -18.005 1.00 0.00 C ATOM 1913 NH1 ARG A 125 3.986 -15.239 -17.176 1.00 0.00 N ATOM 1914 NH2 ARG A 125 2.342 -15.407 -18.768 1.00 0.00 N ATOM 0 H ARG A 125 2.486 -8.906 -14.474 1.00 0.00 H new ATOM 0 HA ARG A 125 0.930 -10.278 -15.211 1.00 0.00 H new ATOM 0 HB2 ARG A 125 2.957 -12.513 -14.838 1.00 0.00 H new ATOM 0 HB3 ARG A 125 1.540 -12.552 -15.868 1.00 0.00 H new ATOM 0 HG2 ARG A 125 2.472 -10.829 -17.319 1.00 0.00 H new ATOM 0 HG3 ARG A 125 3.825 -10.583 -16.232 1.00 0.00 H new ATOM 0 HD2 ARG A 125 4.613 -11.965 -18.023 1.00 0.00 H new ATOM 0 HD3 ARG A 125 4.491 -12.987 -16.604 1.00 0.00 H new ATOM 0 HE ARG A 125 2.307 -12.933 -18.655 1.00 0.00 H new ATOM 0 HH11 ARG A 125 4.581 -14.666 -16.577 1.00 0.00 H new ATOM 0 HH12 ARG A 125 4.052 -16.256 -17.138 1.00 0.00 H new ATOM 0 HH21 ARG A 125 1.670 -14.964 -19.395 1.00 0.00 H new ATOM 0 HH22 ARG A 125 2.409 -16.424 -18.728 1.00 0.00 H new ATOM 1928 N TRP A 126 0.126 -10.628 -12.728 1.00 0.00 N ATOM 1929 CA TRP A 126 -0.813 -11.119 -11.718 1.00 0.00 C ATOM 1930 C TRP A 126 -1.626 -12.284 -12.305 1.00 0.00 C ATOM 1931 O TRP A 126 -2.026 -12.224 -13.468 1.00 0.00 O ATOM 1932 CB TRP A 126 -1.743 -9.974 -11.266 1.00 0.00 C ATOM 1933 CG TRP A 126 -2.486 -10.263 -9.989 1.00 0.00 C ATOM 1934 CD1 TRP A 126 -2.054 -10.018 -8.719 1.00 0.00 C ATOM 1935 CD2 TRP A 126 -3.785 -10.856 -9.855 1.00 0.00 C ATOM 1936 NE1 TRP A 126 -2.989 -10.440 -7.807 1.00 0.00 N ATOM 1937 CE2 TRP A 126 -4.060 -10.955 -8.479 1.00 0.00 C ATOM 1938 CE3 TRP A 126 -4.737 -11.319 -10.762 1.00 0.00 C ATOM 1939 CZ2 TRP A 126 -5.244 -11.499 -7.991 1.00 0.00 C ATOM 1940 CZ3 TRP A 126 -5.912 -11.860 -10.278 1.00 0.00 C ATOM 1941 CH2 TRP A 126 -6.154 -11.947 -8.903 1.00 0.00 C ATOM 0 H TRP A 126 0.130 -9.614 -12.837 1.00 0.00 H new ATOM 0 HA TRP A 126 -0.264 -11.477 -10.847 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -1.151 -9.068 -11.134 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -2.465 -9.771 -12.057 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -1.110 -9.557 -8.467 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -2.898 -10.379 -6.793 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -4.559 -11.256 -11.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -5.435 -11.564 -6.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -6.656 -12.222 -10.972 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -7.081 -12.378 -8.556 1.00 0.00 H new ATOM 1952 N PRO A 127 -1.868 -13.353 -11.516 1.00 0.00 N ATOM 1953 CA PRO A 127 -2.503 -14.599 -11.987 1.00 0.00 C ATOM 1954 C PRO A 127 -3.723 -14.370 -12.876 1.00 0.00 C ATOM 1955 O PRO A 127 -4.654 -13.658 -12.507 1.00 0.00 O ATOM 1956 CB PRO A 127 -2.927 -15.300 -10.680 1.00 0.00 C ATOM 1957 CG PRO A 127 -2.736 -14.272 -9.614 1.00 0.00 C ATOM 1958 CD PRO A 127 -1.580 -13.445 -10.083 1.00 0.00 C ATOM 0 HA PRO A 127 -1.817 -15.174 -12.609 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -3.964 -15.632 -10.728 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -2.318 -16.184 -10.490 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -3.631 -13.664 -9.486 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.525 -14.736 -8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -1.552 -12.466 -9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -0.622 -13.925 -9.885 1.00 0.00 H new ATOM 1966 N SER A 128 -3.725 -14.999 -14.041 1.00 0.00 N ATOM 1967 CA SER A 128 -4.836 -14.874 -14.973 1.00 0.00 C ATOM 1968 C SER A 128 -5.963 -15.831 -14.596 1.00 0.00 C ATOM 1969 O SER A 128 -6.898 -16.052 -15.367 1.00 0.00 O ATOM 1970 CB SER A 128 -4.351 -15.146 -16.398 1.00 0.00 C ATOM 1971 OG SER A 128 -3.208 -14.359 -16.702 1.00 0.00 O ATOM 0 H SER A 128 -2.969 -15.602 -14.364 1.00 0.00 H new ATOM 0 HA SER A 128 -5.226 -13.857 -14.923 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.110 -16.203 -16.509 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.149 -14.925 -17.107 1.00 0.00 H new ATOM 0 HG SER A 128 -2.913 -14.550 -17.617 1.00 0.00 H new ATOM 1977 N LEU A 129 -5.858 -16.379 -13.387 1.00 0.00 N ATOM 1978 CA LEU A 129 -6.837 -17.325 -12.840 1.00 0.00 C ATOM 1979 C LEU A 129 -7.017 -18.530 -13.760 1.00 0.00 C ATOM 1980 O LEU A 129 -8.059 -19.186 -13.753 1.00 0.00 O ATOM 1981 CB LEU A 129 -8.182 -16.630 -12.601 1.00 0.00 C ATOM 1982 CG LEU A 129 -8.152 -15.478 -11.594 1.00 0.00 C ATOM 1983 CD1 LEU A 129 -9.542 -14.890 -11.422 1.00 0.00 C ATOM 1984 CD2 LEU A 129 -7.606 -15.952 -10.255 1.00 0.00 C ATOM 0 H LEU A 129 -5.086 -16.179 -12.752 1.00 0.00 H new ATOM 0 HA LEU A 129 -6.455 -17.685 -11.885 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -8.550 -16.249 -13.554 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -8.901 -17.374 -12.256 1.00 0.00 H new ATOM 0 HG LEU A 129 -7.491 -14.701 -11.979 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -9.505 -14.072 -10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -9.899 -14.514 -12.381 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -10.221 -15.661 -11.059 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -7.592 -15.119 -9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.241 -16.747 -9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.593 -16.330 -10.389 1.00 0.00 H new ATOM 1996 N GLU A 130 -5.987 -18.825 -14.531 1.00 0.00 N ATOM 1997 CA GLU A 130 -6.021 -19.931 -15.467 1.00 0.00 C ATOM 1998 C GLU A 130 -4.990 -20.972 -15.065 1.00 0.00 C ATOM 1999 O GLU A 130 -5.390 -22.082 -14.659 1.00 0.00 O ATOM 2000 CB GLU A 130 -5.753 -19.436 -16.891 1.00 0.00 C ATOM 2001 CG GLU A 130 -5.751 -20.541 -17.933 1.00 0.00 C ATOM 2002 CD GLU A 130 -5.589 -20.015 -19.343 1.00 0.00 C ATOM 2003 OE1 GLU A 130 -4.441 -19.749 -19.761 1.00 0.00 O ATOM 2004 OE2 GLU A 130 -6.608 -19.872 -20.047 1.00 0.00 O ATOM 0 H GLU A 130 -5.108 -18.307 -14.526 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.012 -20.384 -15.445 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.510 -18.699 -17.158 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -4.790 -18.926 -16.913 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -4.942 -21.239 -17.715 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -6.683 -21.102 -17.864 1.00 0.00 H new TER 2011 GLU A 130