USER MOD reduce.3.24.130724 H: found=0, std=0, add=999, rem=0, adj=26 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 64 MET CE :methyl -167:sc= -0.0509 (180deg=-0.364) USER MOD Set 1.2: A 106 ASN : amide:sc= -0.764 K(o=-0.81,f=-3.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00269 (180deg=-0.146) 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 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 CYS SG : rot 69:sc= 0.0419 USER MOD Single : A 15 THR OG1 : rot 136:sc= -1.15 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0229 K(o=-0.023,f=-1.8) USER MOD Single : A 18 SER OG : rot 99:sc= 1.3 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.328 X(o=-0.33,f=-0.4) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= -0.0306 (180deg=-0.254) USER MOD Single : A 31 ASN : amide:sc= -0.163 K(o=-0.16,f=-6!) USER MOD Single : A 35 GLN : amide:sc= -1.04 K(o=-1,f=-0.012) USER MOD Single : A 38 ASN : amide:sc= 0.0328 K(o=0.033,f=-8!) USER MOD Single : A 42 CYS SG : rot 10:sc= -5.87! 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 -3:sc= 0.247 USER MOD Single : A 60 LYS NZ :NH3+ -156:sc= 1.29 (180deg=0.419) USER MOD Single : A 79 SER OG : rot 180:sc= -0.133 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 84 MET CE :methyl -118:sc= -7.36! (180deg=-13.8!) USER MOD Single : A 89 GLN : amide:sc= 0.283 X(o=0.28,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 91:sc= 1.92 USER MOD Single : A 107 HIS : no HD1:sc= 1.1 K(o=1.1,f=-3.4!) USER MOD Single : A 112 CYS SG : rot 74:sc= -4.29! USER MOD Single : A 116 LYS NZ :NH3+ -162:sc= 2.16 (180deg=0.642) USER MOD Single : A 118 HIS : no HE2:sc= 0.401 K(o=0.4,f=-6.8!) USER MOD Single : A 121 MET CE :methyl 139:sc= -0.356 (180deg=-1.34!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.136 14.260 -11.828 1.00 0.00 N ATOM 2 CA MET A 1 -21.930 13.099 -12.727 1.00 0.00 C ATOM 3 C MET A 1 -20.453 12.730 -12.778 1.00 0.00 C ATOM 4 O MET A 1 -20.021 11.781 -12.122 1.00 0.00 O ATOM 5 CB MET A 1 -22.457 13.403 -14.136 1.00 0.00 C ATOM 6 CG MET A 1 -23.942 13.733 -14.170 1.00 0.00 C ATOM 7 SD MET A 1 -24.574 13.979 -15.842 1.00 0.00 S ATOM 8 CE MET A 1 -26.271 14.432 -15.484 1.00 0.00 C ATOM 0 H1 MET A 1 -23.153 14.387 -11.653 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.648 14.091 -10.925 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.752 15.117 -12.274 1.00 0.00 H new ATOM 0 HA MET A 1 -22.489 12.251 -12.331 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.897 14.241 -14.552 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.269 12.543 -14.779 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.498 12.926 -13.693 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.121 14.634 -13.584 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.802 14.619 -16.417 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.758 13.620 -14.945 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.285 15.334 -14.872 1.00 0.00 H new ATOM 20 N SER A 2 -19.676 13.483 -13.544 1.00 0.00 N ATOM 21 CA SER A 2 -18.240 13.276 -13.598 1.00 0.00 C ATOM 22 C SER A 2 -17.553 14.142 -12.547 1.00 0.00 C ATOM 23 O SER A 2 -17.339 15.338 -12.749 1.00 0.00 O ATOM 24 CB SER A 2 -17.711 13.595 -14.998 1.00 0.00 C ATOM 25 OG SER A 2 -18.390 12.828 -15.980 1.00 0.00 O ATOM 0 H SER A 2 -20.017 14.241 -14.135 1.00 0.00 H new ATOM 0 HA SER A 2 -18.020 12.230 -13.383 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.839 14.657 -15.207 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.642 13.388 -15.044 1.00 0.00 H new ATOM 0 HG SER A 2 -18.038 13.048 -16.868 1.00 0.00 H new ATOM 31 N THR A 3 -17.236 13.532 -11.416 1.00 0.00 N ATOM 32 CA THR A 3 -16.658 14.251 -10.294 1.00 0.00 C ATOM 33 C THR A 3 -15.134 14.271 -10.391 1.00 0.00 C ATOM 34 O THR A 3 -14.480 15.115 -9.775 1.00 0.00 O ATOM 35 CB THR A 3 -17.101 13.628 -8.947 1.00 0.00 C ATOM 36 OG1 THR A 3 -16.618 14.410 -7.845 1.00 0.00 O ATOM 37 CG2 THR A 3 -16.600 12.195 -8.813 1.00 0.00 C ATOM 0 H THR A 3 -17.371 12.534 -11.251 1.00 0.00 H new ATOM 0 HA THR A 3 -17.023 15.278 -10.333 1.00 0.00 H new ATOM 0 HB THR A 3 -18.191 13.620 -8.931 1.00 0.00 H new ATOM 0 HG1 THR A 3 -16.909 14.002 -7.002 1.00 0.00 H new ATOM 0 HG21 THR A 3 -16.926 11.783 -7.858 1.00 0.00 H new ATOM 0 HG22 THR A 3 -17.004 11.591 -9.625 1.00 0.00 H new ATOM 0 HG23 THR A 3 -15.511 12.184 -8.860 1.00 0.00 H new ATOM 45 N THR A 4 -14.590 13.337 -11.171 1.00 0.00 N ATOM 46 CA THR A 4 -13.153 13.228 -11.390 1.00 0.00 C ATOM 47 C THR A 4 -12.408 12.884 -10.098 1.00 0.00 C ATOM 48 O THR A 4 -12.033 13.760 -9.316 1.00 0.00 O ATOM 49 CB THR A 4 -12.573 14.515 -12.015 1.00 0.00 C ATOM 50 OG1 THR A 4 -13.282 14.827 -13.223 1.00 0.00 O ATOM 51 CG2 THR A 4 -11.093 14.349 -12.330 1.00 0.00 C ATOM 0 H THR A 4 -15.137 12.634 -11.669 1.00 0.00 H new ATOM 0 HA THR A 4 -13.005 12.410 -12.095 1.00 0.00 H new ATOM 0 HB THR A 4 -12.688 15.326 -11.295 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.913 15.645 -13.617 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.709 15.270 -12.769 1.00 0.00 H new ATOM 0 HG22 THR A 4 -10.548 14.130 -11.412 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.961 13.528 -13.035 1.00 0.00 H new ATOM 59 N ALA A 5 -12.218 11.594 -9.875 1.00 0.00 N ATOM 60 CA ALA A 5 -11.458 11.121 -8.735 1.00 0.00 C ATOM 61 C ALA A 5 -10.209 10.399 -9.214 1.00 0.00 C ATOM 62 O ALA A 5 -10.292 9.476 -10.023 1.00 0.00 O ATOM 63 CB ALA A 5 -12.310 10.209 -7.867 1.00 0.00 C ATOM 0 H ALA A 5 -12.583 10.853 -10.474 1.00 0.00 H new ATOM 0 HA ALA A 5 -11.158 11.976 -8.129 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -11.723 9.864 -7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -13.181 10.758 -7.508 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -12.638 9.351 -8.454 1.00 0.00 H new ATOM 69 N TYR A 6 -9.057 10.822 -8.722 1.00 0.00 N ATOM 70 CA TYR A 6 -7.792 10.253 -9.160 1.00 0.00 C ATOM 71 C TYR A 6 -7.433 9.073 -8.277 1.00 0.00 C ATOM 72 O TYR A 6 -7.607 9.136 -7.064 1.00 0.00 O ATOM 73 CB TYR A 6 -6.682 11.307 -9.099 1.00 0.00 C ATOM 74 CG TYR A 6 -7.037 12.609 -9.785 1.00 0.00 C ATOM 75 CD1 TYR A 6 -7.693 13.618 -9.094 1.00 0.00 C ATOM 76 CD2 TYR A 6 -6.718 12.828 -11.119 1.00 0.00 C ATOM 77 CE1 TYR A 6 -8.020 14.808 -9.709 1.00 0.00 C ATOM 78 CE2 TYR A 6 -7.042 14.018 -11.743 1.00 0.00 C ATOM 79 CZ TYR A 6 -7.692 15.004 -11.033 1.00 0.00 C ATOM 80 OH TYR A 6 -8.017 16.192 -11.646 1.00 0.00 O ATOM 0 H TYR A 6 -8.971 11.557 -8.020 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.894 9.916 -10.192 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.444 11.510 -8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.781 10.899 -9.558 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.952 13.469 -8.056 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -6.209 12.056 -11.677 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.531 15.582 -9.156 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.787 14.174 -12.781 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.716 16.172 -12.578 1.00 0.00 H new ATOM 90 N GLN A 7 -6.940 8.002 -8.873 1.00 0.00 N ATOM 91 CA GLN A 7 -6.593 6.811 -8.112 1.00 0.00 C ATOM 92 C GLN A 7 -5.092 6.566 -8.163 1.00 0.00 C ATOM 93 O GLN A 7 -4.586 5.955 -9.104 1.00 0.00 O ATOM 94 CB GLN A 7 -7.346 5.587 -8.637 1.00 0.00 C ATOM 95 CG GLN A 7 -8.856 5.732 -8.581 1.00 0.00 C ATOM 96 CD GLN A 7 -9.583 4.487 -9.048 1.00 0.00 C ATOM 97 OE1 GLN A 7 -9.863 4.329 -10.234 1.00 0.00 O ATOM 98 NE2 GLN A 7 -9.896 3.595 -8.120 1.00 0.00 N ATOM 0 H GLN A 7 -6.771 7.930 -9.876 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.888 6.975 -7.076 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.045 5.401 -9.668 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.052 4.713 -8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.157 5.961 -7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.158 6.577 -9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.646 3.763 -7.146 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.387 2.740 -8.380 1.00 0.00 H new ATOM 107 N PRO A 8 -4.356 7.078 -7.169 1.00 0.00 N ATOM 108 CA PRO A 8 -2.915 6.903 -7.083 1.00 0.00 C ATOM 109 C PRO A 8 -2.533 5.588 -6.412 1.00 0.00 C ATOM 110 O PRO A 8 -1.564 4.931 -6.815 1.00 0.00 O ATOM 111 CB PRO A 8 -2.457 8.096 -6.223 1.00 0.00 C ATOM 112 CG PRO A 8 -3.702 8.818 -5.797 1.00 0.00 C ATOM 113 CD PRO A 8 -4.856 7.894 -6.061 1.00 0.00 C ATOM 0 HA PRO A 8 -2.450 6.869 -8.068 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.891 7.755 -5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.802 8.755 -6.792 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.653 9.082 -4.741 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.818 9.748 -6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.100 7.289 -5.188 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.760 8.439 -6.333 1.00 0.00 H new ATOM 121 N ILE A 9 -3.299 5.216 -5.386 1.00 0.00 N ATOM 122 CA ILE A 9 -3.010 4.028 -4.589 1.00 0.00 C ATOM 123 C ILE A 9 -4.118 2.986 -4.764 1.00 0.00 C ATOM 124 O ILE A 9 -5.289 3.338 -4.921 1.00 0.00 O ATOM 125 CB ILE A 9 -2.874 4.372 -3.085 1.00 0.00 C ATOM 126 CG1 ILE A 9 -2.506 5.849 -2.874 1.00 0.00 C ATOM 127 CG2 ILE A 9 -1.824 3.484 -2.442 1.00 0.00 C ATOM 128 CD1 ILE A 9 -1.137 6.232 -3.397 1.00 0.00 C ATOM 0 H ILE A 9 -4.130 5.726 -5.087 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.061 3.624 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.841 4.195 -2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.256 6.471 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.551 6.074 -1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.735 3.733 -1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.118 2.439 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.864 3.641 -2.934 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.958 7.290 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.375 5.639 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.091 6.043 -4.469 1.00 0.00 H new ATOM 140 N ALA A 10 -3.747 1.710 -4.706 1.00 0.00 N ATOM 141 CA ALA A 10 -4.666 0.618 -5.023 1.00 0.00 C ATOM 142 C ALA A 10 -5.700 0.381 -3.925 1.00 0.00 C ATOM 143 O ALA A 10 -6.890 0.638 -4.116 1.00 0.00 O ATOM 144 CB ALA A 10 -3.884 -0.657 -5.271 1.00 0.00 C ATOM 0 H ALA A 10 -2.811 1.404 -4.441 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.210 0.908 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.574 -1.467 -5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.200 -0.508 -6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.314 -0.914 -4.378 1.00 0.00 H new ATOM 150 N GLU A 11 -5.242 -0.119 -2.781 1.00 0.00 N ATOM 151 CA GLU A 11 -6.133 -0.460 -1.676 1.00 0.00 C ATOM 152 C GLU A 11 -6.793 0.795 -1.124 1.00 0.00 C ATOM 153 O GLU A 11 -7.987 0.792 -0.825 1.00 0.00 O ATOM 154 CB GLU A 11 -5.384 -1.219 -0.561 1.00 0.00 C ATOM 155 CG GLU A 11 -4.300 -0.426 0.161 1.00 0.00 C ATOM 156 CD GLU A 11 -3.192 0.029 -0.763 1.00 0.00 C ATOM 157 OE1 GLU A 11 -2.259 -0.756 -1.009 1.00 0.00 O ATOM 158 OE2 GLU A 11 -3.282 1.167 -1.266 1.00 0.00 O ATOM 0 H GLU A 11 -4.255 -0.298 -2.594 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.908 -1.123 -2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.112 -1.559 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.930 -2.110 -0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.750 0.445 0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.875 -1.040 0.955 1.00 0.00 H new ATOM 165 N CYS A 12 -6.020 1.869 -1.035 1.00 0.00 N ATOM 166 CA CYS A 12 -6.522 3.140 -0.538 1.00 0.00 C ATOM 167 C CYS A 12 -7.665 3.655 -1.416 1.00 0.00 C ATOM 168 O CYS A 12 -8.721 4.041 -0.917 1.00 0.00 O ATOM 169 CB CYS A 12 -5.384 4.156 -0.497 1.00 0.00 C ATOM 170 SG CYS A 12 -3.902 3.568 0.353 1.00 0.00 S ATOM 0 H CYS A 12 -5.036 1.883 -1.303 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.912 2.995 0.469 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.119 4.431 -1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.737 5.062 -0.004 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.337 2.635 -0.355 1.00 0.00 H new ATOM 176 N GLY A 13 -7.460 3.640 -2.726 1.00 0.00 N ATOM 177 CA GLY A 13 -8.524 4.010 -3.634 1.00 0.00 C ATOM 178 C GLY A 13 -8.307 5.346 -4.310 1.00 0.00 C ATOM 179 O GLY A 13 -7.237 5.614 -4.855 1.00 0.00 O ATOM 0 H GLY A 13 -6.581 3.380 -3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.624 3.238 -4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.465 4.039 -3.085 1.00 0.00 H new ATOM 183 N ALA A 14 -9.327 6.189 -4.267 1.00 0.00 N ATOM 184 CA ALA A 14 -9.326 7.424 -5.029 1.00 0.00 C ATOM 185 C ALA A 14 -9.189 8.649 -4.135 1.00 0.00 C ATOM 186 O ALA A 14 -9.656 8.665 -2.995 1.00 0.00 O ATOM 187 CB ALA A 14 -10.594 7.519 -5.858 1.00 0.00 C ATOM 0 H ALA A 14 -10.168 6.038 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.458 7.405 -5.688 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.587 8.448 -6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.645 6.673 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.462 7.504 -5.199 1.00 0.00 H new ATOM 193 N THR A 15 -8.541 9.667 -4.671 1.00 0.00 N ATOM 194 CA THR A 15 -8.385 10.940 -3.999 1.00 0.00 C ATOM 195 C THR A 15 -8.562 12.068 -5.007 1.00 0.00 C ATOM 196 O THR A 15 -7.896 12.091 -6.042 1.00 0.00 O ATOM 197 CB THR A 15 -6.993 11.059 -3.349 1.00 0.00 C ATOM 198 OG1 THR A 15 -6.748 9.935 -2.497 1.00 0.00 O ATOM 199 CG2 THR A 15 -6.873 12.345 -2.547 1.00 0.00 C ATOM 0 H THR A 15 -8.105 9.631 -5.593 1.00 0.00 H new ATOM 0 HA THR A 15 -9.140 11.008 -3.216 1.00 0.00 H new ATOM 0 HB THR A 15 -6.250 11.078 -4.146 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.837 9.605 -2.644 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.881 12.403 -2.099 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.025 13.200 -3.206 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.627 12.355 -1.760 1.00 0.00 H new ATOM 207 N THR A 16 -9.462 12.991 -4.725 1.00 0.00 N ATOM 208 CA THR A 16 -9.682 14.103 -5.627 1.00 0.00 C ATOM 209 C THR A 16 -8.711 15.249 -5.319 1.00 0.00 C ATOM 210 O THR A 16 -8.973 16.120 -4.483 1.00 0.00 O ATOM 211 CB THR A 16 -11.157 14.579 -5.611 1.00 0.00 C ATOM 212 OG1 THR A 16 -11.317 15.743 -6.432 1.00 0.00 O ATOM 213 CG2 THR A 16 -11.642 14.865 -4.196 1.00 0.00 C ATOM 0 H THR A 16 -10.046 12.993 -3.889 1.00 0.00 H new ATOM 0 HA THR A 16 -9.480 13.755 -6.640 1.00 0.00 H new ATOM 0 HB THR A 16 -11.766 13.770 -6.015 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.254 16.031 -6.413 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.680 15.196 -4.227 1.00 0.00 H new ATOM 0 HG22 THR A 16 -11.568 13.958 -3.596 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.025 15.646 -3.751 1.00 0.00 H new ATOM 221 N GLN A 17 -7.554 15.184 -5.960 1.00 0.00 N ATOM 222 CA GLN A 17 -6.541 16.225 -5.860 1.00 0.00 C ATOM 223 C GLN A 17 -5.778 16.309 -7.175 1.00 0.00 C ATOM 224 O GLN A 17 -5.409 15.280 -7.743 1.00 0.00 O ATOM 225 CB GLN A 17 -5.571 15.926 -4.715 1.00 0.00 C ATOM 226 CG GLN A 17 -4.614 17.066 -4.418 1.00 0.00 C ATOM 227 CD GLN A 17 -3.599 16.708 -3.353 1.00 0.00 C ATOM 228 OE1 GLN A 17 -2.520 16.206 -3.656 1.00 0.00 O ATOM 229 NE2 GLN A 17 -3.943 16.953 -2.098 1.00 0.00 N ATOM 0 H GLN A 17 -7.290 14.407 -6.565 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.030 17.177 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.143 15.699 -3.815 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.995 15.034 -4.961 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.092 17.346 -5.333 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.182 17.938 -4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.850 17.371 -1.890 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.301 16.723 -1.339 1.00 0.00 H new ATOM 238 N SER A 18 -5.543 17.523 -7.649 1.00 0.00 N ATOM 239 CA SER A 18 -4.902 17.745 -8.942 1.00 0.00 C ATOM 240 C SER A 18 -3.539 17.057 -9.029 1.00 0.00 C ATOM 241 O SER A 18 -3.182 16.498 -10.066 1.00 0.00 O ATOM 242 CB SER A 18 -4.744 19.249 -9.187 1.00 0.00 C ATOM 243 OG SER A 18 -4.078 19.875 -8.100 1.00 0.00 O ATOM 0 H SER A 18 -5.789 18.380 -7.153 1.00 0.00 H new ATOM 0 HA SER A 18 -5.540 17.309 -9.710 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.182 19.414 -10.106 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.725 19.703 -9.327 1.00 0.00 H new ATOM 0 HG SER A 18 -3.131 19.994 -8.321 1.00 0.00 H new ATOM 249 N GLU A 19 -2.802 17.073 -7.928 1.00 0.00 N ATOM 250 CA GLU A 19 -1.431 16.578 -7.922 1.00 0.00 C ATOM 251 C GLU A 19 -1.389 15.052 -7.956 1.00 0.00 C ATOM 252 O GLU A 19 -0.408 14.462 -8.410 1.00 0.00 O ATOM 253 CB GLU A 19 -0.687 17.089 -6.686 1.00 0.00 C ATOM 254 CG GLU A 19 -0.801 18.591 -6.474 1.00 0.00 C ATOM 255 CD GLU A 19 -0.472 19.386 -7.721 1.00 0.00 C ATOM 256 OE1 GLU A 19 0.712 19.422 -8.118 1.00 0.00 O ATOM 257 OE2 GLU A 19 -1.406 19.969 -8.317 1.00 0.00 O ATOM 0 H GLU A 19 -3.129 17.423 -7.027 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.940 16.953 -8.820 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.073 16.577 -5.804 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.367 16.823 -6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.814 18.832 -6.152 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.130 18.892 -5.669 1.00 0.00 H new ATOM 264 N ALA A 20 -2.473 14.424 -7.511 1.00 0.00 N ATOM 265 CA ALA A 20 -2.520 12.973 -7.349 1.00 0.00 C ATOM 266 C ALA A 20 -2.329 12.236 -8.673 1.00 0.00 C ATOM 267 O ALA A 20 -1.828 11.113 -8.699 1.00 0.00 O ATOM 268 CB ALA A 20 -3.836 12.565 -6.702 1.00 0.00 C ATOM 0 H ALA A 20 -3.337 14.901 -7.254 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.691 12.689 -6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.863 11.482 -6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.923 13.038 -5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.666 12.883 -7.333 1.00 0.00 H new ATOM 274 N ALA A 21 -2.705 12.886 -9.769 1.00 0.00 N ATOM 275 CA ALA A 21 -2.655 12.265 -11.090 1.00 0.00 C ATOM 276 C ALA A 21 -1.224 11.934 -11.509 1.00 0.00 C ATOM 277 O ALA A 21 -0.996 11.033 -12.320 1.00 0.00 O ATOM 278 CB ALA A 21 -3.303 13.176 -12.121 1.00 0.00 C ATOM 0 H ALA A 21 -3.049 13.846 -9.770 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.208 11.328 -11.034 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.260 12.703 -13.102 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.343 13.352 -11.848 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.770 14.126 -12.153 1.00 0.00 H new ATOM 284 N ALA A 22 -0.260 12.649 -10.946 1.00 0.00 N ATOM 285 CA ALA A 22 1.131 12.475 -11.337 1.00 0.00 C ATOM 286 C ALA A 22 1.930 11.730 -10.273 1.00 0.00 C ATOM 287 O ALA A 22 3.137 11.548 -10.417 1.00 0.00 O ATOM 288 CB ALA A 22 1.771 13.821 -11.629 1.00 0.00 C ATOM 0 H ALA A 22 -0.414 13.351 -10.222 1.00 0.00 H new ATOM 0 HA ALA A 22 1.143 11.869 -12.243 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.811 13.674 -11.920 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.233 14.311 -12.440 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.729 14.445 -10.736 1.00 0.00 H new ATOM 294 N TYR A 23 1.265 11.299 -9.206 1.00 0.00 N ATOM 295 CA TYR A 23 1.942 10.545 -8.154 1.00 0.00 C ATOM 296 C TYR A 23 1.348 9.155 -8.023 1.00 0.00 C ATOM 297 O TYR A 23 1.591 8.456 -7.042 1.00 0.00 O ATOM 298 CB TYR A 23 1.871 11.264 -6.806 1.00 0.00 C ATOM 299 CG TYR A 23 2.513 12.633 -6.811 1.00 0.00 C ATOM 300 CD1 TYR A 23 3.836 12.798 -7.205 1.00 0.00 C ATOM 301 CD2 TYR A 23 1.798 13.759 -6.429 1.00 0.00 C ATOM 302 CE1 TYR A 23 4.429 14.046 -7.215 1.00 0.00 C ATOM 303 CE2 TYR A 23 2.382 15.011 -6.437 1.00 0.00 C ATOM 304 CZ TYR A 23 3.696 15.149 -6.833 1.00 0.00 C ATOM 305 OH TYR A 23 4.278 16.395 -6.834 1.00 0.00 O ATOM 0 H TYR A 23 0.270 11.456 -9.046 1.00 0.00 H new ATOM 0 HA TYR A 23 2.990 10.463 -8.442 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.826 11.364 -6.512 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.357 10.648 -6.050 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.410 11.935 -7.509 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.768 13.655 -6.120 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.459 14.156 -7.520 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.812 15.877 -6.135 1.00 0.00 H new ATOM 0 HH TYR A 23 3.623 17.062 -6.539 1.00 0.00 H new ATOM 315 N GLN A 24 0.565 8.759 -9.011 1.00 0.00 N ATOM 316 CA GLN A 24 -0.004 7.426 -9.018 1.00 0.00 C ATOM 317 C GLN A 24 1.059 6.425 -9.437 1.00 0.00 C ATOM 318 O GLN A 24 1.995 6.774 -10.163 1.00 0.00 O ATOM 319 CB GLN A 24 -1.232 7.357 -9.945 1.00 0.00 C ATOM 320 CG GLN A 24 -0.937 7.556 -11.429 1.00 0.00 C ATOM 321 CD GLN A 24 -0.695 6.247 -12.165 1.00 0.00 C ATOM 322 OE1 GLN A 24 0.435 5.775 -12.284 1.00 0.00 O ATOM 323 NE2 GLN A 24 -1.760 5.654 -12.673 1.00 0.00 N ATOM 0 H GLN A 24 0.311 9.337 -9.812 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.344 7.177 -8.013 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.713 6.388 -9.813 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.949 8.114 -9.629 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.773 8.079 -11.894 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.061 8.195 -11.538 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.682 6.074 -12.555 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.660 4.776 -13.183 1.00 0.00 H new ATOM 332 N LYS A 25 0.902 5.191 -8.994 1.00 0.00 N ATOM 333 CA LYS A 25 1.836 4.121 -9.321 1.00 0.00 C ATOM 334 C LYS A 25 1.178 2.793 -9.035 1.00 0.00 C ATOM 335 O LYS A 25 0.089 2.746 -8.464 1.00 0.00 O ATOM 336 CB LYS A 25 3.144 4.220 -8.507 1.00 0.00 C ATOM 337 CG LYS A 25 4.179 5.171 -9.089 1.00 0.00 C ATOM 338 CD LYS A 25 5.516 5.053 -8.373 1.00 0.00 C ATOM 339 CE LYS A 25 6.137 3.673 -8.554 1.00 0.00 C ATOM 340 NZ LYS A 25 6.354 3.343 -9.987 1.00 0.00 N ATOM 0 H LYS A 25 0.127 4.899 -8.399 1.00 0.00 H new ATOM 0 HA LYS A 25 2.093 4.212 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.903 4.541 -7.494 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.585 3.226 -8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.314 4.958 -10.149 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.815 6.196 -9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.200 5.812 -8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.378 5.253 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.089 3.632 -8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.488 2.922 -8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.970 2.508 -10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.439 3.140 -10.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.805 4.149 -10.464 1.00 0.00 H new ATOM 354 N ARG A 26 1.823 1.713 -9.443 1.00 0.00 N ATOM 355 CA ARG A 26 1.317 0.393 -9.138 1.00 0.00 C ATOM 356 C ARG A 26 1.624 0.060 -7.689 1.00 0.00 C ATOM 357 O ARG A 26 2.590 -0.635 -7.366 1.00 0.00 O ATOM 358 CB ARG A 26 1.866 -0.648 -10.114 1.00 0.00 C ATOM 359 CG ARG A 26 1.390 -0.386 -11.531 1.00 0.00 C ATOM 360 CD ARG A 26 1.815 -1.462 -12.507 1.00 0.00 C ATOM 361 NE ARG A 26 1.362 -1.150 -13.861 1.00 0.00 N ATOM 362 CZ ARG A 26 0.830 -2.035 -14.699 1.00 0.00 C ATOM 363 NH1 ARG A 26 0.714 -3.310 -14.347 1.00 0.00 N ATOM 364 NH2 ARG A 26 0.419 -1.647 -15.896 1.00 0.00 N ATOM 0 H ARG A 26 2.690 1.727 -9.981 1.00 0.00 H new ATOM 0 HA ARG A 26 0.234 0.378 -9.263 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.956 -0.635 -10.087 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.551 -1.644 -9.801 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.303 -0.309 -11.535 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.779 0.575 -11.867 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.901 -1.559 -12.496 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.406 -2.423 -12.195 1.00 0.00 H new ATOM 0 HE ARG A 26 1.461 -0.188 -14.185 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.034 -3.617 -13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.305 -3.983 -14.995 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.511 -0.670 -16.175 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.011 -2.325 -16.540 1.00 0.00 H new ATOM 378 N TRP A 27 0.820 0.662 -6.832 1.00 0.00 N ATOM 379 CA TRP A 27 0.911 0.507 -5.396 1.00 0.00 C ATOM 380 C TRP A 27 0.015 -0.636 -4.968 1.00 0.00 C ATOM 381 O TRP A 27 -0.972 -0.912 -5.646 1.00 0.00 O ATOM 382 CB TRP A 27 0.437 1.799 -4.736 1.00 0.00 C ATOM 383 CG TRP A 27 1.384 2.354 -3.730 1.00 0.00 C ATOM 384 CD1 TRP A 27 1.878 1.712 -2.637 1.00 0.00 C ATOM 385 CD2 TRP A 27 1.924 3.678 -3.710 1.00 0.00 C ATOM 386 NE1 TRP A 27 2.714 2.555 -1.940 1.00 0.00 N ATOM 387 CE2 TRP A 27 2.753 3.770 -2.579 1.00 0.00 C ATOM 388 CE3 TRP A 27 1.790 4.794 -4.547 1.00 0.00 C ATOM 389 CZ2 TRP A 27 3.445 4.936 -2.261 1.00 0.00 C ATOM 390 CZ3 TRP A 27 2.475 5.951 -4.229 1.00 0.00 C ATOM 391 CH2 TRP A 27 3.292 6.014 -3.094 1.00 0.00 C ATOM 0 H TRP A 27 0.069 1.287 -7.124 1.00 0.00 H new ATOM 0 HA TRP A 27 1.939 0.295 -5.101 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.267 2.548 -5.510 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.523 1.616 -4.253 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.649 0.694 -2.358 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.222 2.316 -1.088 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.162 4.750 -5.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.080 4.989 -1.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.379 6.819 -4.865 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.814 6.933 -2.870 1.00 0.00 H new ATOM 402 N LEU A 28 0.349 -1.298 -3.865 1.00 0.00 N ATOM 403 CA LEU A 28 -0.467 -2.392 -3.359 1.00 0.00 C ATOM 404 C LEU A 28 0.137 -2.987 -2.098 1.00 0.00 C ATOM 405 O LEU A 28 1.153 -2.514 -1.595 1.00 0.00 O ATOM 406 CB LEU A 28 -0.631 -3.475 -4.433 1.00 0.00 C ATOM 407 CG LEU A 28 0.667 -3.961 -5.083 1.00 0.00 C ATOM 408 CD1 LEU A 28 1.132 -5.265 -4.461 1.00 0.00 C ATOM 409 CD2 LEU A 28 0.477 -4.115 -6.581 1.00 0.00 C ATOM 0 H LEU A 28 1.178 -1.095 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.450 -1.993 -3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.136 -4.332 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.286 -3.091 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 28 1.441 -3.214 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.056 -5.588 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.309 -5.117 -3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.366 -6.028 -4.599 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.407 -4.461 -7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.313 -4.841 -6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.200 -3.154 -7.013 1.00 0.00 H new ATOM 421 N VAL A 29 -0.498 -4.027 -1.600 1.00 0.00 N ATOM 422 CA VAL A 29 -0.034 -4.720 -0.416 1.00 0.00 C ATOM 423 C VAL A 29 0.291 -6.167 -0.738 1.00 0.00 C ATOM 424 O VAL A 29 -0.407 -6.811 -1.521 1.00 0.00 O ATOM 425 CB VAL A 29 -1.085 -4.675 0.707 1.00 0.00 C ATOM 426 CG1 VAL A 29 -0.928 -3.419 1.541 1.00 0.00 C ATOM 427 CG2 VAL A 29 -2.477 -4.726 0.116 1.00 0.00 C ATOM 0 H VAL A 29 -1.350 -4.416 -2.004 1.00 0.00 H new ATOM 0 HA VAL A 29 0.867 -4.211 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.934 -5.541 1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.681 -3.409 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.066 -3.402 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.055 -2.542 0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.214 -4.694 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.623 -3.872 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.598 -5.649 -0.451 1.00 0.00 H new ATOM 437 N ALA A 30 1.360 -6.667 -0.151 1.00 0.00 N ATOM 438 CA ALA A 30 1.724 -8.063 -0.300 1.00 0.00 C ATOM 439 C ALA A 30 1.725 -8.731 1.057 1.00 0.00 C ATOM 440 O ALA A 30 2.147 -8.132 2.044 1.00 0.00 O ATOM 441 CB ALA A 30 3.087 -8.200 -0.959 1.00 0.00 C ATOM 0 H ALA A 30 1.994 -6.125 0.436 1.00 0.00 H new ATOM 0 HA ALA A 30 0.991 -8.551 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.338 -9.256 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.062 -7.737 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.839 -7.705 -0.345 1.00 0.00 H new ATOM 447 N ASN A 31 1.236 -9.956 1.117 1.00 0.00 N ATOM 448 CA ASN A 31 1.189 -10.671 2.383 1.00 0.00 C ATOM 449 C ASN A 31 2.405 -11.576 2.528 1.00 0.00 C ATOM 450 O ASN A 31 3.290 -11.573 1.672 1.00 0.00 O ATOM 451 CB ASN A 31 -0.104 -11.487 2.518 1.00 0.00 C ATOM 452 CG ASN A 31 -0.214 -12.607 1.504 1.00 0.00 C ATOM 453 OD1 ASN A 31 0.267 -13.714 1.731 1.00 0.00 O ATOM 454 ND2 ASN A 31 -0.860 -12.328 0.386 1.00 0.00 N ATOM 0 H ASN A 31 0.870 -10.472 0.317 1.00 0.00 H new ATOM 0 HA ASN A 31 1.202 -9.932 3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.156 -11.909 3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.959 -10.821 2.407 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.975 -13.046 -0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.244 -11.395 0.238 1.00 0.00 H new ATOM 461 N ASP A 32 2.443 -12.320 3.628 1.00 0.00 N ATOM 462 CA ASP A 32 3.540 -13.244 3.939 1.00 0.00 C ATOM 463 C ASP A 32 3.933 -14.119 2.747 1.00 0.00 C ATOM 464 O ASP A 32 5.120 -14.327 2.488 1.00 0.00 O ATOM 465 CB ASP A 32 3.149 -14.132 5.123 1.00 0.00 C ATOM 466 CG ASP A 32 4.194 -15.182 5.437 1.00 0.00 C ATOM 467 OD1 ASP A 32 5.208 -14.848 6.081 1.00 0.00 O ATOM 468 OD2 ASP A 32 3.996 -16.354 5.057 1.00 0.00 O ATOM 0 H ASP A 32 1.710 -12.302 4.337 1.00 0.00 H new ATOM 0 HA ASP A 32 4.408 -12.636 4.192 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.991 -13.508 6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.200 -14.623 4.906 1.00 0.00 H new ATOM 473 N ALA A 33 2.933 -14.607 2.015 1.00 0.00 N ATOM 474 CA ALA A 33 3.165 -15.515 0.890 1.00 0.00 C ATOM 475 C ALA A 33 3.816 -14.803 -0.296 1.00 0.00 C ATOM 476 O ALA A 33 4.207 -15.441 -1.271 1.00 0.00 O ATOM 477 CB ALA A 33 1.855 -16.155 0.449 1.00 0.00 C ATOM 0 H ALA A 33 1.951 -14.389 2.181 1.00 0.00 H new ATOM 0 HA ALA A 33 3.853 -16.287 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.042 -16.828 -0.388 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.428 -16.718 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.156 -15.378 0.140 1.00 0.00 H new ATOM 483 N GLY A 34 3.919 -13.483 -0.214 1.00 0.00 N ATOM 484 CA GLY A 34 4.483 -12.714 -1.306 1.00 0.00 C ATOM 485 C GLY A 34 3.474 -12.488 -2.411 1.00 0.00 C ATOM 486 O GLY A 34 3.815 -11.999 -3.489 1.00 0.00 O ATOM 0 H GLY A 34 3.622 -12.931 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.833 -11.752 -0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.352 -13.235 -1.708 1.00 0.00 H new ATOM 490 N GLN A 35 2.229 -12.851 -2.138 1.00 0.00 N ATOM 491 CA GLN A 35 1.160 -12.692 -3.106 1.00 0.00 C ATOM 492 C GLN A 35 0.527 -11.313 -2.966 1.00 0.00 C ATOM 493 O GLN A 35 0.399 -10.789 -1.854 1.00 0.00 O ATOM 494 CB GLN A 35 0.095 -13.780 -2.923 1.00 0.00 C ATOM 495 CG GLN A 35 -0.998 -13.732 -3.982 1.00 0.00 C ATOM 496 CD GLN A 35 -2.126 -14.722 -3.741 1.00 0.00 C ATOM 497 OE1 GLN A 35 -2.729 -15.229 -4.687 1.00 0.00 O ATOM 498 NE2 GLN A 35 -2.445 -14.977 -2.483 1.00 0.00 N ATOM 0 H GLN A 35 1.936 -13.259 -1.250 1.00 0.00 H new ATOM 0 HA GLN A 35 1.584 -12.790 -4.105 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.575 -14.758 -2.950 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.358 -13.674 -1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.412 -12.724 -4.018 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.555 -13.930 -4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.922 -14.538 -1.725 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.214 -15.613 -2.271 1.00 0.00 H new ATOM 507 N TRP A 36 0.158 -10.729 -4.099 1.00 0.00 N ATOM 508 CA TRP A 36 -0.547 -9.454 -4.124 1.00 0.00 C ATOM 509 C TRP A 36 -1.897 -9.568 -3.428 1.00 0.00 C ATOM 510 O TRP A 36 -2.693 -10.460 -3.735 1.00 0.00 O ATOM 511 CB TRP A 36 -0.765 -9.005 -5.568 1.00 0.00 C ATOM 512 CG TRP A 36 0.434 -8.399 -6.226 1.00 0.00 C ATOM 513 CD1 TRP A 36 1.728 -8.483 -5.814 1.00 0.00 C ATOM 514 CD2 TRP A 36 0.441 -7.613 -7.424 1.00 0.00 C ATOM 515 NE1 TRP A 36 2.540 -7.793 -6.679 1.00 0.00 N ATOM 516 CE2 TRP A 36 1.775 -7.250 -7.677 1.00 0.00 C ATOM 517 CE3 TRP A 36 -0.553 -7.179 -8.306 1.00 0.00 C ATOM 518 CZ2 TRP A 36 2.143 -6.474 -8.775 1.00 0.00 C ATOM 519 CZ3 TRP A 36 -0.187 -6.408 -9.394 1.00 0.00 C ATOM 520 CH2 TRP A 36 1.151 -6.061 -9.621 1.00 0.00 C ATOM 0 H TRP A 36 0.338 -11.124 -5.022 1.00 0.00 H new ATOM 0 HA TRP A 36 0.063 -8.720 -3.597 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.089 -9.864 -6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.578 -8.280 -5.589 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.066 -9.014 -4.936 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.552 -7.699 -6.592 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.588 -7.441 -8.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 3.175 -6.208 -8.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.947 -6.067 -10.082 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.404 -5.456 -10.480 1.00 0.00 H new ATOM 531 N LEU A 37 -2.147 -8.667 -2.496 1.00 0.00 N ATOM 532 CA LEU A 37 -3.413 -8.629 -1.790 1.00 0.00 C ATOM 533 C LEU A 37 -4.398 -7.778 -2.586 1.00 0.00 C ATOM 534 O LEU A 37 -4.073 -6.666 -2.998 1.00 0.00 O ATOM 535 CB LEU A 37 -3.198 -8.055 -0.390 1.00 0.00 C ATOM 536 CG LEU A 37 -4.102 -8.615 0.702 1.00 0.00 C ATOM 537 CD1 LEU A 37 -3.898 -10.117 0.850 1.00 0.00 C ATOM 538 CD2 LEU A 37 -3.828 -7.898 2.019 1.00 0.00 C ATOM 0 H LEU A 37 -1.484 -7.947 -2.209 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.821 -9.634 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.161 -8.229 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.340 -6.975 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.141 -8.445 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.552 -10.498 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.136 -10.611 -0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.860 -10.319 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.477 -8.303 2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.786 -8.046 2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.024 -6.832 1.901 1.00 0.00 H new ATOM 550 N ASN A 38 -5.597 -8.296 -2.793 1.00 0.00 N ATOM 551 CA ASN A 38 -6.547 -7.682 -3.714 1.00 0.00 C ATOM 552 C ASN A 38 -7.823 -7.304 -2.986 1.00 0.00 C ATOM 553 O ASN A 38 -8.092 -7.818 -1.907 1.00 0.00 O ATOM 554 CB ASN A 38 -6.882 -8.675 -4.828 1.00 0.00 C ATOM 555 CG ASN A 38 -7.324 -8.001 -6.118 1.00 0.00 C ATOM 556 OD1 ASN A 38 -7.894 -6.914 -6.103 1.00 0.00 O ATOM 557 ND2 ASN A 38 -7.058 -8.642 -7.245 1.00 0.00 N ATOM 0 H ASN A 38 -5.939 -9.142 -2.336 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.099 -6.782 -4.134 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.007 -9.293 -5.030 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.672 -9.343 -4.485 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.328 -8.234 -8.140 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.583 -9.544 -7.219 1.00 0.00 H new ATOM 564 N ARG A 39 -8.622 -6.438 -3.591 1.00 0.00 N ATOM 565 CA ARG A 39 -9.918 -6.082 -3.038 1.00 0.00 C ATOM 566 C ARG A 39 -10.882 -7.253 -3.188 1.00 0.00 C ATOM 567 O ARG A 39 -11.874 -7.359 -2.469 1.00 0.00 O ATOM 568 CB ARG A 39 -10.472 -4.835 -3.729 1.00 0.00 C ATOM 569 CG ARG A 39 -9.697 -3.572 -3.399 1.00 0.00 C ATOM 570 CD ARG A 39 -10.327 -2.342 -4.032 1.00 0.00 C ATOM 571 NE ARG A 39 -9.769 -1.107 -3.481 1.00 0.00 N ATOM 572 CZ ARG A 39 -10.277 0.104 -3.704 1.00 0.00 C ATOM 573 NH1 ARG A 39 -11.277 0.263 -4.558 1.00 0.00 N ATOM 574 NH2 ARG A 39 -9.778 1.161 -3.075 1.00 0.00 N ATOM 0 H ARG A 39 -8.394 -5.968 -4.467 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.801 -5.857 -1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.459 -4.990 -4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.514 -4.700 -3.439 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.655 -3.443 -2.317 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.669 -3.674 -3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.167 -2.365 -5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.405 -2.360 -3.869 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.941 -1.178 -2.890 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.662 -0.544 -5.049 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.662 1.193 -4.725 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.005 1.047 -2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.168 2.088 -3.247 1.00 0.00 H new ATOM 588 N ASP A 40 -10.564 -8.135 -4.128 1.00 0.00 N ATOM 589 CA ASP A 40 -11.310 -9.379 -4.306 1.00 0.00 C ATOM 590 C ASP A 40 -10.985 -10.342 -3.174 1.00 0.00 C ATOM 591 O ASP A 40 -11.792 -11.196 -2.812 1.00 0.00 O ATOM 592 CB ASP A 40 -10.969 -10.036 -5.645 1.00 0.00 C ATOM 593 CG ASP A 40 -11.454 -9.235 -6.831 1.00 0.00 C ATOM 594 OD1 ASP A 40 -12.617 -9.419 -7.246 1.00 0.00 O ATOM 595 OD2 ASP A 40 -10.673 -8.421 -7.362 1.00 0.00 O ATOM 0 H ASP A 40 -9.791 -8.013 -4.782 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.374 -9.142 -4.296 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.889 -10.165 -5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.412 -11.031 -5.679 1.00 0.00 H new ATOM 600 N LEU A 41 -9.792 -10.191 -2.617 1.00 0.00 N ATOM 601 CA LEU A 41 -9.341 -11.042 -1.528 1.00 0.00 C ATOM 602 C LEU A 41 -9.739 -10.419 -0.197 1.00 0.00 C ATOM 603 O LEU A 41 -10.247 -11.093 0.696 1.00 0.00 O ATOM 604 CB LEU A 41 -7.820 -11.219 -1.589 1.00 0.00 C ATOM 605 CG LEU A 41 -7.279 -11.786 -2.905 1.00 0.00 C ATOM 606 CD1 LEU A 41 -5.758 -11.788 -2.901 1.00 0.00 C ATOM 607 CD2 LEU A 41 -7.807 -13.191 -3.138 1.00 0.00 C ATOM 0 H LEU A 41 -9.116 -9.483 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.810 -12.021 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.351 -10.252 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.515 -11.878 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.623 -11.147 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.392 -12.194 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.393 -10.768 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.397 -12.403 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.412 -13.577 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.493 -13.838 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.896 -13.167 -3.185 1.00 0.00 H new ATOM 619 N CYS A 42 -9.502 -9.122 -0.086 1.00 0.00 N ATOM 620 CA CYS A 42 -9.851 -8.371 1.114 1.00 0.00 C ATOM 621 C CYS A 42 -10.628 -7.099 0.762 1.00 0.00 C ATOM 622 O CYS A 42 -10.040 -6.079 0.400 1.00 0.00 O ATOM 623 CB CYS A 42 -8.580 -8.032 1.901 1.00 0.00 C ATOM 624 SG CYS A 42 -7.184 -7.564 0.860 1.00 0.00 S ATOM 0 H CYS A 42 -9.066 -8.561 -0.818 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.498 -8.990 1.736 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.797 -7.216 2.590 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.298 -8.894 2.506 1.00 0.00 H new ATOM 0 HG CYS A 42 -7.589 -7.412 -0.366 1.00 0.00 H new ATOM 630 N PRO A 43 -11.969 -7.159 0.839 1.00 0.00 N ATOM 631 CA PRO A 43 -12.839 -6.013 0.539 1.00 0.00 C ATOM 632 C PRO A 43 -12.627 -4.839 1.497 1.00 0.00 C ATOM 633 O PRO A 43 -12.659 -3.676 1.088 1.00 0.00 O ATOM 634 CB PRO A 43 -14.258 -6.579 0.699 1.00 0.00 C ATOM 635 CG PRO A 43 -14.102 -8.060 0.616 1.00 0.00 C ATOM 636 CD PRO A 43 -12.747 -8.359 1.185 1.00 0.00 C ATOM 0 HA PRO A 43 -12.634 -5.609 -0.452 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.695 -6.282 1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -14.920 -6.209 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.884 -8.568 1.180 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -14.178 -8.404 -0.415 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.788 -8.516 2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.316 -9.259 0.748 1.00 0.00 H new ATOM 644 N ARG A 44 -12.382 -5.143 2.771 1.00 0.00 N ATOM 645 CA ARG A 44 -12.237 -4.098 3.785 1.00 0.00 C ATOM 646 C ARG A 44 -10.907 -3.369 3.632 1.00 0.00 C ATOM 647 O ARG A 44 -10.639 -2.376 4.315 1.00 0.00 O ATOM 648 CB ARG A 44 -12.345 -4.676 5.197 1.00 0.00 C ATOM 649 CG ARG A 44 -13.581 -5.530 5.416 1.00 0.00 C ATOM 650 CD ARG A 44 -13.880 -5.715 6.894 1.00 0.00 C ATOM 651 NE ARG A 44 -14.431 -4.496 7.486 1.00 0.00 N ATOM 652 CZ ARG A 44 -15.710 -4.359 7.832 1.00 0.00 C ATOM 653 NH1 ARG A 44 -16.556 -5.375 7.673 1.00 0.00 N ATOM 654 NH2 ARG A 44 -16.145 -3.207 8.335 1.00 0.00 N ATOM 0 H ARG A 44 -12.280 -6.095 3.124 1.00 0.00 H new ATOM 0 HA ARG A 44 -13.050 -3.388 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.459 -5.276 5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.349 -3.857 5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -14.437 -5.064 4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.438 -6.504 4.949 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.586 -6.535 7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.967 -5.995 7.419 1.00 0.00 H new ATOM 0 HE ARG A 44 -13.802 -3.708 7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.225 -6.259 7.286 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.535 -5.270 7.938 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.499 -2.427 8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.125 -3.104 8.599 1.00 0.00 H new ATOM 668 N LEU A 45 -10.074 -3.860 2.735 1.00 0.00 N ATOM 669 CA LEU A 45 -8.790 -3.238 2.469 1.00 0.00 C ATOM 670 C LEU A 45 -8.992 -1.940 1.695 1.00 0.00 C ATOM 671 O LEU A 45 -8.169 -1.034 1.755 1.00 0.00 O ATOM 672 CB LEU A 45 -7.902 -4.199 1.681 1.00 0.00 C ATOM 673 CG LEU A 45 -6.482 -3.714 1.419 1.00 0.00 C ATOM 674 CD1 LEU A 45 -5.675 -3.699 2.707 1.00 0.00 C ATOM 675 CD2 LEU A 45 -5.816 -4.582 0.366 1.00 0.00 C ATOM 0 H LEU A 45 -10.264 -4.691 2.176 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.300 -3.006 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.851 -5.144 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.380 -4.405 0.723 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.525 -2.693 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.664 -3.350 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.149 -3.030 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.633 -4.706 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.802 -4.225 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.781 -5.614 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.386 -4.531 -0.561 1.00 0.00 H new ATOM 687 N ALA A 46 -10.115 -1.856 0.991 1.00 0.00 N ATOM 688 CA ALA A 46 -10.479 -0.656 0.246 1.00 0.00 C ATOM 689 C ALA A 46 -10.898 0.475 1.181 1.00 0.00 C ATOM 690 O ALA A 46 -11.119 1.603 0.745 1.00 0.00 O ATOM 691 CB ALA A 46 -11.606 -0.968 -0.725 1.00 0.00 C ATOM 0 H ALA A 46 -10.795 -2.613 0.920 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.601 -0.327 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.871 -0.066 -1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -11.281 -1.739 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.475 -1.323 -0.172 1.00 0.00 H new ATOM 697 N GLU A 47 -10.994 0.170 2.469 1.00 0.00 N ATOM 698 CA GLU A 47 -11.457 1.138 3.453 1.00 0.00 C ATOM 699 C GLU A 47 -10.304 1.982 3.993 1.00 0.00 C ATOM 700 O GLU A 47 -10.325 2.409 5.145 1.00 0.00 O ATOM 701 CB GLU A 47 -12.155 0.413 4.604 1.00 0.00 C ATOM 702 CG GLU A 47 -13.311 -0.466 4.156 1.00 0.00 C ATOM 703 CD GLU A 47 -14.401 0.317 3.455 1.00 0.00 C ATOM 704 OE1 GLU A 47 -15.326 0.794 4.142 1.00 0.00 O ATOM 705 OE2 GLU A 47 -14.340 0.459 2.218 1.00 0.00 O ATOM 0 H GLU A 47 -10.756 -0.743 2.857 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.162 1.809 2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.425 -0.201 5.131 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.525 1.151 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.936 -1.239 3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.734 -0.974 5.023 1.00 0.00 H new ATOM 712 N VAL A 48 -9.300 2.219 3.164 1.00 0.00 N ATOM 713 CA VAL A 48 -8.186 3.074 3.546 1.00 0.00 C ATOM 714 C VAL A 48 -8.436 4.508 3.092 1.00 0.00 C ATOM 715 O VAL A 48 -8.744 4.752 1.926 1.00 0.00 O ATOM 716 CB VAL A 48 -6.853 2.573 2.947 1.00 0.00 C ATOM 717 CG1 VAL A 48 -5.711 3.506 3.311 1.00 0.00 C ATOM 718 CG2 VAL A 48 -6.554 1.159 3.415 1.00 0.00 C ATOM 0 H VAL A 48 -9.233 1.832 2.223 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.110 3.041 4.633 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.953 2.564 1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.783 3.132 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.917 4.503 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.612 3.554 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.611 0.824 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.480 1.144 4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.356 0.493 3.097 1.00 0.00 H new ATOM 728 N SER A 49 -8.316 5.452 4.014 1.00 0.00 N ATOM 729 CA SER A 49 -8.477 6.855 3.681 1.00 0.00 C ATOM 730 C SER A 49 -7.146 7.414 3.202 1.00 0.00 C ATOM 731 O SER A 49 -6.092 7.120 3.777 1.00 0.00 O ATOM 732 CB SER A 49 -8.992 7.645 4.891 1.00 0.00 C ATOM 733 OG SER A 49 -9.284 8.990 4.548 1.00 0.00 O ATOM 0 H SER A 49 -8.108 5.270 4.996 1.00 0.00 H new ATOM 0 HA SER A 49 -9.214 6.951 2.884 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.888 7.166 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 49 -8.245 7.625 5.685 1.00 0.00 H new ATOM 0 HG SER A 49 -9.611 9.466 5.340 1.00 0.00 H new ATOM 739 N VAL A 50 -7.194 8.211 2.151 1.00 0.00 N ATOM 740 CA VAL A 50 -5.979 8.698 1.520 1.00 0.00 C ATOM 741 C VAL A 50 -5.907 10.215 1.562 1.00 0.00 C ATOM 742 O VAL A 50 -6.924 10.905 1.468 1.00 0.00 O ATOM 743 CB VAL A 50 -5.868 8.249 0.048 1.00 0.00 C ATOM 744 CG1 VAL A 50 -4.482 7.693 -0.242 1.00 0.00 C ATOM 745 CG2 VAL A 50 -6.952 7.240 -0.306 1.00 0.00 C ATOM 0 H VAL A 50 -8.058 8.535 1.716 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.153 8.269 2.087 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.019 9.125 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.426 7.382 -1.285 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.734 8.463 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.292 6.835 0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.846 6.944 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.854 6.362 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.933 7.691 -0.155 1.00 0.00 H new ATOM 755 N GLU A 51 -4.700 10.720 1.719 1.00 0.00 N ATOM 756 CA GLU A 51 -4.440 12.142 1.661 1.00 0.00 C ATOM 757 C GLU A 51 -3.044 12.360 1.111 1.00 0.00 C ATOM 758 O GLU A 51 -2.124 11.610 1.432 1.00 0.00 O ATOM 759 CB GLU A 51 -4.568 12.767 3.049 1.00 0.00 C ATOM 760 CG GLU A 51 -4.480 14.282 3.056 1.00 0.00 C ATOM 761 CD GLU A 51 -4.647 14.861 4.442 1.00 0.00 C ATOM 762 OE1 GLU A 51 -5.795 14.915 4.932 1.00 0.00 O ATOM 763 OE2 GLU A 51 -3.636 15.265 5.049 1.00 0.00 O ATOM 0 H GLU A 51 -3.870 10.153 1.891 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.171 12.620 1.009 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -5.521 12.467 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.784 12.365 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.516 14.589 2.650 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.248 14.691 2.399 1.00 0.00 H new ATOM 770 N LEU A 52 -2.882 13.361 0.273 1.00 0.00 N ATOM 771 CA LEU A 52 -1.580 13.638 -0.304 1.00 0.00 C ATOM 772 C LEU A 52 -1.024 14.942 0.236 1.00 0.00 C ATOM 773 O LEU A 52 -1.661 15.996 0.169 1.00 0.00 O ATOM 774 CB LEU A 52 -1.636 13.669 -1.837 1.00 0.00 C ATOM 775 CG LEU A 52 -1.630 12.298 -2.533 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.967 11.583 -2.386 1.00 0.00 C ATOM 777 CD2 LEU A 52 -1.263 12.453 -3.999 1.00 0.00 C ATOM 0 H LEU A 52 -3.626 13.992 -0.023 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.912 12.827 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.536 14.205 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.785 14.245 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.877 11.681 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.921 10.618 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.183 11.429 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.755 12.190 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.263 11.475 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.991 13.098 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.271 12.898 -4.081 1.00 0.00 H new ATOM 789 N ARG A 53 0.170 14.833 0.779 1.00 0.00 N ATOM 790 CA ARG A 53 0.918 15.964 1.288 1.00 0.00 C ATOM 791 C ARG A 53 2.025 16.267 0.289 1.00 0.00 C ATOM 792 O ARG A 53 2.421 15.383 -0.467 1.00 0.00 O ATOM 793 CB ARG A 53 1.485 15.604 2.672 1.00 0.00 C ATOM 794 CG ARG A 53 2.360 16.667 3.328 1.00 0.00 C ATOM 795 CD ARG A 53 1.552 17.854 3.834 1.00 0.00 C ATOM 796 NE ARG A 53 1.586 18.984 2.907 1.00 0.00 N ATOM 797 CZ ARG A 53 2.569 19.889 2.875 1.00 0.00 C ATOM 798 NH1 ARG A 53 3.624 19.750 3.673 1.00 0.00 N ATOM 799 NH2 ARG A 53 2.504 20.925 2.047 1.00 0.00 N ATOM 0 H ARG A 53 0.656 13.942 0.881 1.00 0.00 H new ATOM 0 HA ARG A 53 0.290 16.847 1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.652 15.384 3.339 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.068 14.688 2.578 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.906 16.222 4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.102 17.016 2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.518 17.547 3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.941 18.169 4.802 1.00 0.00 H new ATOM 0 HE ARG A 53 0.815 19.088 2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.682 18.954 4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.375 20.440 3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.700 21.035 1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.258 21.611 2.029 1.00 0.00 H new ATOM 813 N MET A 54 2.501 17.499 0.251 1.00 0.00 N ATOM 814 CA MET A 54 3.528 17.874 -0.713 1.00 0.00 C ATOM 815 C MET A 54 4.820 17.100 -0.449 1.00 0.00 C ATOM 816 O MET A 54 5.666 17.531 0.331 1.00 0.00 O ATOM 817 CB MET A 54 3.782 19.382 -0.659 1.00 0.00 C ATOM 818 CG MET A 54 4.585 19.919 -1.833 1.00 0.00 C ATOM 819 SD MET A 54 4.793 21.709 -1.757 1.00 0.00 S ATOM 820 CE MET A 54 5.552 22.033 -3.349 1.00 0.00 C ATOM 0 H MET A 54 2.199 18.252 0.869 1.00 0.00 H new ATOM 0 HA MET A 54 3.176 17.619 -1.712 1.00 0.00 H new ATOM 0 HB2 MET A 54 2.824 19.900 -0.621 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.309 19.618 0.266 1.00 0.00 H new ATOM 0 HG2 MET A 54 5.565 19.442 -1.849 1.00 0.00 H new ATOM 0 HG3 MET A 54 4.085 19.653 -2.764 1.00 0.00 H new ATOM 0 HE1 MET A 54 5.742 23.101 -3.451 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.493 21.488 -3.421 1.00 0.00 H new ATOM 0 HE3 MET A 54 4.882 21.706 -4.145 1.00 0.00 H new ATOM 830 N GLY A 55 4.933 15.928 -1.069 1.00 0.00 N ATOM 831 CA GLY A 55 6.104 15.090 -0.888 1.00 0.00 C ATOM 832 C GLY A 55 5.805 13.839 -0.079 1.00 0.00 C ATOM 833 O GLY A 55 6.632 12.928 -0.008 1.00 0.00 O ATOM 0 H GLY A 55 4.228 15.543 -1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.496 14.803 -1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.884 15.664 -0.388 1.00 0.00 H new ATOM 837 N TYR A 56 4.614 13.767 0.507 1.00 0.00 N ATOM 838 CA TYR A 56 4.275 12.664 1.398 1.00 0.00 C ATOM 839 C TYR A 56 2.914 12.078 1.056 1.00 0.00 C ATOM 840 O TYR A 56 2.015 12.781 0.602 1.00 0.00 O ATOM 841 CB TYR A 56 4.255 13.124 2.858 1.00 0.00 C ATOM 842 CG TYR A 56 5.609 13.456 3.443 1.00 0.00 C ATOM 843 CD1 TYR A 56 6.393 12.470 4.026 1.00 0.00 C ATOM 844 CD2 TYR A 56 6.091 14.757 3.428 1.00 0.00 C ATOM 845 CE1 TYR A 56 7.621 12.773 4.583 1.00 0.00 C ATOM 846 CE2 TYR A 56 7.319 15.068 3.978 1.00 0.00 C ATOM 847 CZ TYR A 56 8.079 14.074 4.556 1.00 0.00 C ATOM 848 OH TYR A 56 9.293 14.391 5.121 1.00 0.00 O ATOM 0 H TYR A 56 3.872 14.455 0.382 1.00 0.00 H new ATOM 0 HA TYR A 56 5.042 11.901 1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.616 14.004 2.937 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.797 12.342 3.463 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.038 11.450 4.045 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.496 15.539 2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.218 11.996 5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.682 16.085 3.955 1.00 0.00 H new ATOM 0 HH TYR A 56 9.678 13.593 5.539 1.00 0.00 H new ATOM 858 N LEU A 57 2.775 10.790 1.275 1.00 0.00 N ATOM 859 CA LEU A 57 1.502 10.121 1.137 1.00 0.00 C ATOM 860 C LEU A 57 0.948 9.833 2.529 1.00 0.00 C ATOM 861 O LEU A 57 1.513 9.034 3.277 1.00 0.00 O ATOM 862 CB LEU A 57 1.678 8.827 0.341 1.00 0.00 C ATOM 863 CG LEU A 57 0.391 8.075 0.022 1.00 0.00 C ATOM 864 CD1 LEU A 57 -0.499 8.899 -0.895 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.709 6.731 -0.605 1.00 0.00 C ATOM 0 H LEU A 57 3.541 10.177 1.554 1.00 0.00 H new ATOM 0 HA LEU A 57 0.800 10.755 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.183 9.063 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.337 8.163 0.900 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.149 7.903 0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.412 8.344 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.753 9.840 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.029 9.104 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.219 6.205 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.270 6.883 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.305 6.138 0.089 1.00 0.00 H new ATOM 877 N VAL A 58 -0.133 10.506 2.883 1.00 0.00 N ATOM 878 CA VAL A 58 -0.690 10.406 4.221 1.00 0.00 C ATOM 879 C VAL A 58 -1.883 9.461 4.240 1.00 0.00 C ATOM 880 O VAL A 58 -2.981 9.817 3.812 1.00 0.00 O ATOM 881 CB VAL A 58 -1.125 11.789 4.755 1.00 0.00 C ATOM 882 CG1 VAL A 58 -1.671 11.677 6.170 1.00 0.00 C ATOM 883 CG2 VAL A 58 0.037 12.772 4.707 1.00 0.00 C ATOM 0 H VAL A 58 -0.645 11.130 2.259 1.00 0.00 H new ATOM 0 HA VAL A 58 0.094 10.012 4.868 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.921 12.164 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.970 12.664 6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.535 11.012 6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.900 11.275 6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.289 13.740 5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.856 12.398 5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.378 12.883 3.678 1.00 0.00 H new ATOM 893 N LEU A 59 -1.656 8.247 4.711 1.00 0.00 N ATOM 894 CA LEU A 59 -2.726 7.269 4.840 1.00 0.00 C ATOM 895 C LEU A 59 -3.370 7.365 6.214 1.00 0.00 C ATOM 896 O LEU A 59 -2.702 7.671 7.197 1.00 0.00 O ATOM 897 CB LEU A 59 -2.197 5.850 4.606 1.00 0.00 C ATOM 898 CG LEU A 59 -2.137 5.393 3.147 1.00 0.00 C ATOM 899 CD1 LEU A 59 -1.222 6.288 2.331 1.00 0.00 C ATOM 900 CD2 LEU A 59 -1.671 3.950 3.068 1.00 0.00 C ATOM 0 H LEU A 59 -0.740 7.913 5.011 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.478 7.488 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.195 5.782 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.825 5.153 5.160 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.140 5.464 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.199 5.940 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.594 7.312 2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.215 6.256 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.633 3.637 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.678 3.864 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.367 3.312 3.613 1.00 0.00 H new ATOM 912 N LYS A 60 -4.672 7.134 6.271 1.00 0.00 N ATOM 913 CA LYS A 60 -5.406 7.132 7.531 1.00 0.00 C ATOM 914 C LYS A 60 -6.372 5.955 7.523 1.00 0.00 C ATOM 915 O LYS A 60 -7.115 5.776 6.556 1.00 0.00 O ATOM 916 CB LYS A 60 -6.189 8.443 7.701 1.00 0.00 C ATOM 917 CG LYS A 60 -5.368 9.700 7.441 1.00 0.00 C ATOM 918 CD LYS A 60 -6.219 10.956 7.531 1.00 0.00 C ATOM 919 CE LYS A 60 -5.478 12.168 6.985 1.00 0.00 C ATOM 920 NZ LYS A 60 -6.275 13.419 7.113 1.00 0.00 N ATOM 0 H LYS A 60 -5.249 6.943 5.452 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.705 7.043 8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.043 8.434 7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.587 8.486 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.554 9.759 8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.912 9.639 6.453 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.144 10.811 6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.498 11.135 8.569 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.534 12.285 7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.234 12.000 5.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.954 14.109 6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.281 13.207 6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.147 13.816 8.066 1.00 0.00 H new ATOM 934 N ALA A 61 -6.371 5.133 8.562 1.00 0.00 N ATOM 935 CA ALA A 61 -7.212 3.936 8.519 1.00 0.00 C ATOM 936 C ALA A 61 -8.242 3.880 9.643 1.00 0.00 C ATOM 937 O ALA A 61 -7.998 4.324 10.752 1.00 0.00 O ATOM 938 CB ALA A 61 -6.356 2.680 8.545 1.00 0.00 C ATOM 0 H ALA A 61 -5.824 5.259 9.414 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.766 3.990 7.582 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.999 1.801 8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.691 2.675 7.682 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.763 2.662 9.460 1.00 0.00 H new ATOM 944 N PRO A 62 -9.433 3.339 9.359 1.00 0.00 N ATOM 945 CA PRO A 62 -10.378 2.973 10.406 1.00 0.00 C ATOM 946 C PRO A 62 -9.779 1.878 11.281 1.00 0.00 C ATOM 947 O PRO A 62 -9.770 0.702 10.908 1.00 0.00 O ATOM 948 CB PRO A 62 -11.605 2.460 9.639 1.00 0.00 C ATOM 949 CG PRO A 62 -11.446 2.995 8.257 1.00 0.00 C ATOM 950 CD PRO A 62 -9.965 3.070 8.018 1.00 0.00 C ATOM 0 HA PRO A 62 -10.628 3.800 11.071 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.643 1.371 9.639 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -12.531 2.812 10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.928 2.344 7.527 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -11.908 3.978 8.162 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.574 2.139 7.607 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.708 3.862 7.315 1.00 0.00 H new ATOM 958 N GLY A 63 -9.212 2.287 12.405 1.00 0.00 N ATOM 959 CA GLY A 63 -8.530 1.360 13.282 1.00 0.00 C ATOM 960 C GLY A 63 -7.091 1.768 13.521 1.00 0.00 C ATOM 961 O GLY A 63 -6.561 1.585 14.616 1.00 0.00 O ATOM 0 H GLY A 63 -9.213 3.255 12.728 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.056 1.307 14.235 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.557 0.361 12.847 1.00 0.00 H new ATOM 965 N MET A 64 -6.469 2.355 12.503 1.00 0.00 N ATOM 966 CA MET A 64 -5.070 2.765 12.589 1.00 0.00 C ATOM 967 C MET A 64 -4.941 4.256 12.322 1.00 0.00 C ATOM 968 O MET A 64 -5.712 4.826 11.566 1.00 0.00 O ATOM 969 CB MET A 64 -4.193 1.995 11.593 1.00 0.00 C ATOM 970 CG MET A 64 -4.121 0.497 11.842 1.00 0.00 C ATOM 971 SD MET A 64 -3.632 0.100 13.533 1.00 0.00 S ATOM 972 CE MET A 64 -2.020 0.881 13.614 1.00 0.00 C ATOM 0 H MET A 64 -6.912 2.558 11.607 1.00 0.00 H new ATOM 0 HA MET A 64 -4.726 2.539 13.598 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.574 2.165 10.586 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.183 2.405 11.625 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.093 0.050 11.634 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.410 0.050 11.147 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.492 0.535 14.503 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.444 0.620 12.726 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.142 1.963 13.663 1.00 0.00 H new ATOM 982 N LEU A 65 -3.953 4.881 12.930 1.00 0.00 N ATOM 983 CA LEU A 65 -3.754 6.317 12.783 1.00 0.00 C ATOM 984 C LEU A 65 -3.252 6.653 11.367 1.00 0.00 C ATOM 985 O LEU A 65 -3.676 6.032 10.374 1.00 0.00 O ATOM 986 CB LEU A 65 -2.768 6.827 13.853 1.00 0.00 C ATOM 987 CG LEU A 65 -3.209 6.666 15.320 1.00 0.00 C ATOM 988 CD1 LEU A 65 -4.629 7.176 15.514 1.00 0.00 C ATOM 989 CD2 LEU A 65 -3.085 5.222 15.788 1.00 0.00 C ATOM 0 H LEU A 65 -3.272 4.420 13.533 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.710 6.820 12.927 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.820 6.305 13.721 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.578 7.884 13.667 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.539 7.268 15.933 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.920 7.053 16.557 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.676 8.232 15.246 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.309 6.609 14.878 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.405 5.148 16.827 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.714 4.583 15.168 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.047 4.900 15.704 1.00 0.00 H new ATOM 1001 N ARG A 66 -2.383 7.658 11.270 1.00 0.00 N ATOM 1002 CA ARG A 66 -1.787 8.027 9.997 1.00 0.00 C ATOM 1003 C ARG A 66 -0.654 7.078 9.643 1.00 0.00 C ATOM 1004 O ARG A 66 -0.055 6.450 10.515 1.00 0.00 O ATOM 1005 CB ARG A 66 -1.203 9.441 10.029 1.00 0.00 C ATOM 1006 CG ARG A 66 -2.203 10.562 10.247 1.00 0.00 C ATOM 1007 CD ARG A 66 -1.528 11.905 9.996 1.00 0.00 C ATOM 1008 NE ARG A 66 -2.315 13.045 10.457 1.00 0.00 N ATOM 1009 CZ ARG A 66 -1.858 14.304 10.455 1.00 0.00 C ATOM 1010 NH1 ARG A 66 -0.662 14.579 9.937 1.00 0.00 N ATOM 1011 NH2 ARG A 66 -2.594 15.283 10.966 1.00 0.00 N ATOM 0 H ARG A 66 -2.079 8.228 12.060 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.586 7.976 9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.455 9.487 10.820 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.683 9.621 9.088 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.053 10.440 9.576 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.592 10.523 11.265 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.560 11.916 10.496 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.337 12.013 8.928 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.261 12.874 10.798 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.093 13.830 9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.315 15.538 9.936 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.511 15.078 11.362 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.242 16.240 10.963 1.00 0.00 H new ATOM 1025 N LEU A 67 -0.375 6.985 8.362 1.00 0.00 N ATOM 1026 CA LEU A 67 0.817 6.324 7.875 1.00 0.00 C ATOM 1027 C LEU A 67 1.547 7.275 6.943 1.00 0.00 C ATOM 1028 O LEU A 67 1.116 7.502 5.813 1.00 0.00 O ATOM 1029 CB LEU A 67 0.470 5.022 7.153 1.00 0.00 C ATOM 1030 CG LEU A 67 1.653 4.314 6.492 1.00 0.00 C ATOM 1031 CD1 LEU A 67 2.665 3.863 7.536 1.00 0.00 C ATOM 1032 CD2 LEU A 67 1.170 3.136 5.664 1.00 0.00 C ATOM 0 H LEU A 67 -0.969 7.366 7.626 1.00 0.00 H new ATOM 0 HA LEU A 67 1.458 6.064 8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.011 4.339 7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.279 5.236 6.390 1.00 0.00 H new ATOM 0 HG LEU A 67 2.149 5.021 5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.498 3.362 7.043 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.036 4.730 8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.187 3.173 8.232 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.024 2.643 5.200 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.648 2.428 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.491 3.490 4.889 1.00 0.00 H new ATOM 1044 N ASP A 68 2.621 7.865 7.446 1.00 0.00 N ATOM 1045 CA ASP A 68 3.373 8.861 6.698 1.00 0.00 C ATOM 1046 C ASP A 68 4.448 8.197 5.856 1.00 0.00 C ATOM 1047 O ASP A 68 5.490 7.781 6.367 1.00 0.00 O ATOM 1048 CB ASP A 68 4.005 9.881 7.655 1.00 0.00 C ATOM 1049 CG ASP A 68 4.778 10.973 6.946 1.00 0.00 C ATOM 1050 OD1 ASP A 68 4.143 11.925 6.445 1.00 0.00 O ATOM 1051 OD2 ASP A 68 6.026 10.904 6.924 1.00 0.00 O ATOM 0 H ASP A 68 2.993 7.669 8.375 1.00 0.00 H new ATOM 0 HA ASP A 68 2.685 9.383 6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.220 10.336 8.259 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.673 9.359 8.340 1.00 0.00 H new ATOM 1056 N ILE A 69 4.177 8.065 4.572 1.00 0.00 N ATOM 1057 CA ILE A 69 5.132 7.479 3.653 1.00 0.00 C ATOM 1058 C ILE A 69 5.418 8.434 2.503 1.00 0.00 C ATOM 1059 O ILE A 69 4.511 8.834 1.780 1.00 0.00 O ATOM 1060 CB ILE A 69 4.638 6.117 3.106 1.00 0.00 C ATOM 1061 CG1 ILE A 69 3.166 6.200 2.678 1.00 0.00 C ATOM 1062 CG2 ILE A 69 4.838 5.029 4.151 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.618 4.905 2.110 1.00 0.00 C ATOM 0 H ILE A 69 3.300 8.357 4.141 1.00 0.00 H new ATOM 0 HA ILE A 69 6.054 7.301 4.207 1.00 0.00 H new ATOM 0 HB ILE A 69 5.227 5.864 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.563 6.492 3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.058 6.987 1.932 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.487 4.076 3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.897 4.952 4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.273 5.279 5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.573 5.043 1.831 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.194 4.621 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.692 4.118 2.861 1.00 0.00 H new ATOM 1075 N PRO A 70 6.681 8.854 2.349 1.00 0.00 N ATOM 1076 CA PRO A 70 7.090 9.718 1.239 1.00 0.00 C ATOM 1077 C PRO A 70 6.761 9.083 -0.109 1.00 0.00 C ATOM 1078 O PRO A 70 6.850 7.867 -0.268 1.00 0.00 O ATOM 1079 CB PRO A 70 8.598 9.873 1.435 1.00 0.00 C ATOM 1080 CG PRO A 70 8.827 9.571 2.875 1.00 0.00 C ATOM 1081 CD PRO A 70 7.804 8.534 3.241 1.00 0.00 C ATOM 0 HA PRO A 70 6.569 10.676 1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.153 9.188 0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.928 10.881 1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.838 9.199 3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.712 10.466 3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.176 7.523 3.076 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.518 8.601 4.291 1.00 0.00 H new ATOM 1089 N LEU A 71 6.390 9.927 -1.065 1.00 0.00 N ATOM 1090 CA LEU A 71 5.782 9.488 -2.325 1.00 0.00 C ATOM 1091 C LEU A 71 6.561 8.377 -3.034 1.00 0.00 C ATOM 1092 O LEU A 71 6.092 7.242 -3.114 1.00 0.00 O ATOM 1093 CB LEU A 71 5.612 10.687 -3.259 1.00 0.00 C ATOM 1094 CG LEU A 71 4.630 11.750 -2.765 1.00 0.00 C ATOM 1095 CD1 LEU A 71 4.631 12.952 -3.694 1.00 0.00 C ATOM 1096 CD2 LEU A 71 3.231 11.161 -2.656 1.00 0.00 C ATOM 0 H LEU A 71 6.501 10.938 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 71 4.812 9.061 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.586 11.154 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.277 10.327 -4.232 1.00 0.00 H new ATOM 0 HG LEU A 71 4.947 12.083 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.926 13.697 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.631 13.384 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.337 12.638 -4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.540 11.927 -2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.909 10.805 -3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.240 10.329 -1.952 1.00 0.00 H new ATOM 1108 N ASP A 72 7.736 8.687 -3.556 1.00 0.00 N ATOM 1109 CA ASP A 72 8.446 7.726 -4.393 1.00 0.00 C ATOM 1110 C ASP A 72 9.343 6.821 -3.574 1.00 0.00 C ATOM 1111 O ASP A 72 9.316 5.596 -3.718 1.00 0.00 O ATOM 1112 CB ASP A 72 9.234 8.433 -5.506 1.00 0.00 C ATOM 1113 CG ASP A 72 10.290 9.392 -4.994 1.00 0.00 C ATOM 1114 OD1 ASP A 72 10.004 10.156 -4.048 1.00 0.00 O ATOM 1115 OD2 ASP A 72 11.401 9.409 -5.561 1.00 0.00 O ATOM 0 H ASP A 72 8.214 9.578 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 72 7.695 7.093 -4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.713 7.681 -6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.537 8.980 -6.141 1.00 0.00 H new ATOM 1120 N VAL A 73 10.106 7.423 -2.711 1.00 0.00 N ATOM 1121 CA VAL A 73 11.020 6.695 -1.841 1.00 0.00 C ATOM 1122 C VAL A 73 11.034 7.303 -0.450 1.00 0.00 C ATOM 1123 O VAL A 73 10.711 8.477 -0.276 1.00 0.00 O ATOM 1124 CB VAL A 73 12.470 6.681 -2.386 1.00 0.00 C ATOM 1125 CG1 VAL A 73 12.567 5.886 -3.680 1.00 0.00 C ATOM 1126 CG2 VAL A 73 12.983 8.100 -2.594 1.00 0.00 C ATOM 0 H VAL A 73 10.122 8.434 -2.580 1.00 0.00 H new ATOM 0 HA VAL A 73 10.654 5.669 -1.803 1.00 0.00 H new ATOM 0 HB VAL A 73 13.098 6.191 -1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 73 13.597 5.895 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.255 4.857 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 73 11.919 6.335 -4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 73 14.003 8.066 -2.977 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.344 8.617 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.970 8.634 -1.644 1.00 0.00 H new ATOM 1136 N ILE A 74 11.402 6.499 0.539 1.00 0.00 N ATOM 1137 CA ILE A 74 11.582 7.002 1.891 1.00 0.00 C ATOM 1138 C ILE A 74 12.826 7.880 1.938 1.00 0.00 C ATOM 1139 O ILE A 74 13.681 7.816 1.055 1.00 0.00 O ATOM 1140 CB ILE A 74 11.686 5.849 2.928 1.00 0.00 C ATOM 1141 CG1 ILE A 74 11.862 6.368 4.363 1.00 0.00 C ATOM 1142 CG2 ILE A 74 12.821 4.903 2.574 1.00 0.00 C ATOM 1143 CD1 ILE A 74 10.661 7.119 4.898 1.00 0.00 C ATOM 0 H ILE A 74 11.581 5.501 0.430 1.00 0.00 H new ATOM 0 HA ILE A 74 10.706 7.592 2.159 1.00 0.00 H new ATOM 0 HB ILE A 74 10.742 5.306 2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 74 12.072 5.524 5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 74 12.732 7.023 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 74 12.874 4.105 3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 74 12.642 4.473 1.589 1.00 0.00 H new ATOM 0 HG23 ILE A 74 13.763 5.452 2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 74 10.864 7.453 5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 74 10.462 7.984 4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.791 6.462 4.898 1.00 0.00 H new ATOM 1155 N GLU A 75 12.923 8.687 2.971 1.00 0.00 N ATOM 1156 CA GLU A 75 14.004 9.654 3.104 1.00 0.00 C ATOM 1157 C GLU A 75 15.265 9.003 3.666 1.00 0.00 C ATOM 1158 O GLU A 75 16.134 9.670 4.228 1.00 0.00 O ATOM 1159 CB GLU A 75 13.527 10.807 3.980 1.00 0.00 C ATOM 1160 CG GLU A 75 12.364 11.560 3.359 1.00 0.00 C ATOM 1161 CD GLU A 75 11.612 12.401 4.359 1.00 0.00 C ATOM 1162 OE1 GLU A 75 10.698 11.867 5.012 1.00 0.00 O ATOM 1163 OE2 GLU A 75 11.925 13.598 4.495 1.00 0.00 O ATOM 0 H GLU A 75 12.259 8.696 3.745 1.00 0.00 H new ATOM 0 HA GLU A 75 14.269 10.040 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 75 13.228 10.420 4.954 1.00 0.00 H new ATOM 0 HB3 GLU A 75 14.354 11.497 4.151 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.737 12.201 2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.678 10.847 2.902 1.00 0.00 H new ATOM 1170 N ASP A 76 15.363 7.699 3.478 1.00 0.00 N ATOM 1171 CA ASP A 76 16.535 6.937 3.880 1.00 0.00 C ATOM 1172 C ASP A 76 16.953 6.037 2.729 1.00 0.00 C ATOM 1173 O ASP A 76 16.136 5.679 1.882 1.00 0.00 O ATOM 1174 CB ASP A 76 16.259 6.069 5.114 1.00 0.00 C ATOM 1175 CG ASP A 76 15.777 6.858 6.317 1.00 0.00 C ATOM 1176 OD1 ASP A 76 14.556 7.095 6.436 1.00 0.00 O ATOM 1177 OD2 ASP A 76 16.616 7.232 7.164 1.00 0.00 O ATOM 0 H ASP A 76 14.632 7.137 3.042 1.00 0.00 H new ATOM 0 HA ASP A 76 17.326 7.643 4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.511 5.318 4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.170 5.534 5.382 1.00 0.00 H new ATOM 1182 N ASP A 77 18.214 5.651 2.721 1.00 0.00 N ATOM 1183 CA ASP A 77 18.755 4.810 1.654 1.00 0.00 C ATOM 1184 C ASP A 77 18.474 3.344 1.957 1.00 0.00 C ATOM 1185 O ASP A 77 18.772 2.449 1.165 1.00 0.00 O ATOM 1186 CB ASP A 77 20.262 5.043 1.508 1.00 0.00 C ATOM 1187 CG ASP A 77 20.856 4.343 0.303 1.00 0.00 C ATOM 1188 OD1 ASP A 77 20.661 4.834 -0.828 1.00 0.00 O ATOM 1189 OD2 ASP A 77 21.527 3.308 0.483 1.00 0.00 O ATOM 0 H ASP A 77 18.891 5.904 3.441 1.00 0.00 H new ATOM 0 HA ASP A 77 18.271 5.075 0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 77 20.452 6.113 1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 77 20.767 4.694 2.409 1.00 0.00 H new ATOM 1194 N ASP A 78 17.857 3.116 3.102 1.00 0.00 N ATOM 1195 CA ASP A 78 17.570 1.771 3.577 1.00 0.00 C ATOM 1196 C ASP A 78 16.228 1.285 3.052 1.00 0.00 C ATOM 1197 O ASP A 78 15.562 0.476 3.697 1.00 0.00 O ATOM 1198 CB ASP A 78 17.580 1.738 5.105 1.00 0.00 C ATOM 1199 CG ASP A 78 18.969 1.928 5.673 1.00 0.00 C ATOM 1200 OD1 ASP A 78 19.713 0.930 5.773 1.00 0.00 O ATOM 1201 OD2 ASP A 78 19.332 3.071 6.006 1.00 0.00 O ATOM 0 H ASP A 78 17.540 3.855 3.729 1.00 0.00 H new ATOM 0 HA ASP A 78 18.346 1.104 3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 78 16.923 2.519 5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.176 0.786 5.449 1.00 0.00 H new ATOM 1206 N SER A 79 15.847 1.773 1.879 1.00 0.00 N ATOM 1207 CA SER A 79 14.627 1.335 1.225 1.00 0.00 C ATOM 1208 C SER A 79 14.710 -0.163 0.942 1.00 0.00 C ATOM 1209 O SER A 79 15.405 -0.595 0.020 1.00 0.00 O ATOM 1210 CB SER A 79 14.422 2.115 -0.071 1.00 0.00 C ATOM 1211 OG SER A 79 14.398 3.514 0.172 1.00 0.00 O ATOM 0 H SER A 79 16.371 2.477 1.360 1.00 0.00 H new ATOM 0 HA SER A 79 13.776 1.524 1.879 1.00 0.00 H new ATOM 0 HB2 SER A 79 15.223 1.878 -0.772 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.487 1.808 -0.540 1.00 0.00 H new ATOM 0 HG SER A 79 14.267 3.991 -0.674 1.00 0.00 H new ATOM 1217 N VAL A 80 14.026 -0.950 1.760 1.00 0.00 N ATOM 1218 CA VAL A 80 14.111 -2.396 1.672 1.00 0.00 C ATOM 1219 C VAL A 80 13.428 -2.896 0.408 1.00 0.00 C ATOM 1220 O VAL A 80 12.312 -2.495 0.096 1.00 0.00 O ATOM 1221 CB VAL A 80 13.468 -3.079 2.897 1.00 0.00 C ATOM 1222 CG1 VAL A 80 13.773 -4.567 2.903 1.00 0.00 C ATOM 1223 CG2 VAL A 80 13.935 -2.428 4.191 1.00 0.00 C ATOM 0 H VAL A 80 13.405 -0.608 2.493 1.00 0.00 H new ATOM 0 HA VAL A 80 15.170 -2.654 1.645 1.00 0.00 H new ATOM 0 HB VAL A 80 12.388 -2.951 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.311 -5.030 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.376 -5.023 1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.852 -4.717 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.467 -2.928 5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 80 15.019 -2.514 4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 80 13.654 -1.375 4.190 1.00 0.00 H new ATOM 1233 N ARG A 81 14.113 -3.743 -0.335 1.00 0.00 N ATOM 1234 CA ARG A 81 13.536 -4.340 -1.526 1.00 0.00 C ATOM 1235 C ARG A 81 13.147 -5.790 -1.256 1.00 0.00 C ATOM 1236 O ARG A 81 14.001 -6.650 -1.039 1.00 0.00 O ATOM 1237 CB ARG A 81 14.507 -4.229 -2.707 1.00 0.00 C ATOM 1238 CG ARG A 81 15.928 -4.649 -2.378 1.00 0.00 C ATOM 1239 CD ARG A 81 16.886 -4.336 -3.516 1.00 0.00 C ATOM 1240 NE ARG A 81 16.526 -5.020 -4.757 1.00 0.00 N ATOM 1241 CZ ARG A 81 17.236 -4.948 -5.883 1.00 0.00 C ATOM 1242 NH1 ARG A 81 18.357 -4.228 -5.927 1.00 0.00 N ATOM 1243 NH2 ARG A 81 16.824 -5.610 -6.953 1.00 0.00 N ATOM 0 H ARG A 81 15.070 -4.034 -0.136 1.00 0.00 H new ATOM 0 HA ARG A 81 12.630 -3.795 -1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 81 14.138 -4.845 -3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 81 14.516 -3.198 -3.061 1.00 0.00 H new ATOM 0 HG2 ARG A 81 16.258 -4.138 -1.474 1.00 0.00 H new ATOM 0 HG3 ARG A 81 15.952 -5.718 -2.166 1.00 0.00 H new ATOM 0 HD2 ARG A 81 16.900 -3.260 -3.689 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.896 -4.625 -3.226 1.00 0.00 H new ATOM 0 HE ARG A 81 15.679 -5.588 -4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 81 18.675 -3.729 -5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 81 18.896 -4.176 -6.791 1.00 0.00 H new ATOM 0 HH21 ARG A 81 15.971 -6.168 -6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 81 17.359 -5.562 -7.820 1.00 0.00 H new ATOM 1257 N TYR A 82 11.847 -6.040 -1.236 1.00 0.00 N ATOM 1258 CA TYR A 82 11.322 -7.372 -0.984 1.00 0.00 C ATOM 1259 C TYR A 82 10.866 -8.015 -2.282 1.00 0.00 C ATOM 1260 O TYR A 82 10.221 -7.374 -3.110 1.00 0.00 O ATOM 1261 CB TYR A 82 10.161 -7.334 0.016 1.00 0.00 C ATOM 1262 CG TYR A 82 10.596 -7.213 1.461 1.00 0.00 C ATOM 1263 CD1 TYR A 82 11.347 -8.216 2.064 1.00 0.00 C ATOM 1264 CD2 TYR A 82 10.252 -6.105 2.225 1.00 0.00 C ATOM 1265 CE1 TYR A 82 11.742 -8.119 3.384 1.00 0.00 C ATOM 1266 CE2 TYR A 82 10.644 -6.001 3.548 1.00 0.00 C ATOM 1267 CZ TYR A 82 11.388 -7.010 4.121 1.00 0.00 C ATOM 1268 OH TYR A 82 11.783 -6.911 5.438 1.00 0.00 O ATOM 0 H TYR A 82 11.131 -5.331 -1.393 1.00 0.00 H new ATOM 0 HA TYR A 82 12.125 -7.969 -0.551 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.512 -6.493 -0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.566 -8.240 -0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.627 -9.087 1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.669 -5.312 1.779 1.00 0.00 H new ATOM 0 HE1 TYR A 82 12.325 -8.908 3.836 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.368 -5.133 4.129 1.00 0.00 H new ATOM 0 HH TYR A 82 11.454 -6.069 5.816 1.00 0.00 H new ATOM 1278 N GLN A 83 11.223 -9.269 -2.472 1.00 0.00 N ATOM 1279 CA GLN A 83 10.852 -9.978 -3.681 1.00 0.00 C ATOM 1280 C GLN A 83 9.492 -10.645 -3.520 1.00 0.00 C ATOM 1281 O GLN A 83 9.241 -11.361 -2.548 1.00 0.00 O ATOM 1282 CB GLN A 83 11.932 -10.995 -4.054 1.00 0.00 C ATOM 1283 CG GLN A 83 13.263 -10.333 -4.375 1.00 0.00 C ATOM 1284 CD GLN A 83 14.355 -11.320 -4.729 1.00 0.00 C ATOM 1285 OE1 GLN A 83 14.378 -12.452 -4.244 1.00 0.00 O ATOM 1286 NE2 GLN A 83 15.278 -10.886 -5.572 1.00 0.00 N ATOM 0 H GLN A 83 11.768 -9.818 -1.807 1.00 0.00 H new ATOM 0 HA GLN A 83 10.771 -9.259 -4.496 1.00 0.00 H new ATOM 0 HB2 GLN A 83 12.067 -11.696 -3.231 1.00 0.00 H new ATOM 0 HB3 GLN A 83 11.600 -11.575 -4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 83 13.125 -9.641 -5.206 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.582 -9.741 -3.517 1.00 0.00 H new ATOM 0 HE21 GLN A 83 15.220 -9.940 -5.950 1.00 0.00 H new ATOM 0 HE22 GLN A 83 16.048 -11.497 -5.844 1.00 0.00 H new ATOM 1295 N MET A 84 8.615 -10.380 -4.474 1.00 0.00 N ATOM 1296 CA MET A 84 7.260 -10.904 -4.461 1.00 0.00 C ATOM 1297 C MET A 84 7.177 -12.167 -5.293 1.00 0.00 C ATOM 1298 O MET A 84 8.117 -12.515 -6.008 1.00 0.00 O ATOM 1299 CB MET A 84 6.280 -9.883 -5.039 1.00 0.00 C ATOM 1300 CG MET A 84 5.940 -8.726 -4.121 1.00 0.00 C ATOM 1301 SD MET A 84 4.886 -7.527 -4.957 1.00 0.00 S ATOM 1302 CE MET A 84 4.433 -6.437 -3.615 1.00 0.00 C ATOM 0 H MET A 84 8.824 -9.793 -5.282 1.00 0.00 H new ATOM 0 HA MET A 84 6.998 -11.119 -3.425 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.699 -9.483 -5.962 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.357 -10.399 -5.305 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.436 -9.100 -3.230 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.857 -8.240 -3.788 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.353 -6.465 -3.472 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.929 -6.761 -2.700 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.741 -5.419 -3.853 1.00 0.00 H new ATOM 1312 N LEU A 85 6.037 -12.828 -5.222 1.00 0.00 N ATOM 1313 CA LEU A 85 5.788 -13.995 -6.036 1.00 0.00 C ATOM 1314 C LEU A 85 4.351 -13.972 -6.537 1.00 0.00 C ATOM 1315 O LEU A 85 3.443 -14.513 -5.907 1.00 0.00 O ATOM 1316 CB LEU A 85 6.051 -15.279 -5.249 1.00 0.00 C ATOM 1317 CG LEU A 85 5.952 -16.561 -6.070 1.00 0.00 C ATOM 1318 CD1 LEU A 85 7.111 -16.656 -7.050 1.00 0.00 C ATOM 1319 CD2 LEU A 85 5.912 -17.773 -5.158 1.00 0.00 C ATOM 0 H LEU A 85 5.267 -12.572 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 85 6.469 -13.976 -6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.046 -15.222 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.340 -15.336 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 85 5.025 -16.537 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.025 -17.576 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.088 -15.801 -7.725 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.053 -16.659 -6.501 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.841 -18.679 -5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.821 -17.806 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.045 -17.705 -4.501 1.00 0.00 H new ATOM 1331 N VAL A 86 4.150 -13.316 -7.661 1.00 0.00 N ATOM 1332 CA VAL A 86 2.816 -13.168 -8.225 1.00 0.00 C ATOM 1333 C VAL A 86 2.589 -14.211 -9.306 1.00 0.00 C ATOM 1334 O VAL A 86 3.008 -14.028 -10.446 1.00 0.00 O ATOM 1335 CB VAL A 86 2.589 -11.766 -8.831 1.00 0.00 C ATOM 1336 CG1 VAL A 86 1.107 -11.494 -9.014 1.00 0.00 C ATOM 1337 CG2 VAL A 86 3.219 -10.684 -7.978 1.00 0.00 C ATOM 0 H VAL A 86 4.891 -12.875 -8.206 1.00 0.00 H new ATOM 0 HA VAL A 86 2.109 -13.305 -7.407 1.00 0.00 H new ATOM 0 HB VAL A 86 3.073 -11.749 -9.808 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.969 -10.501 -9.442 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.680 -12.240 -9.684 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.606 -11.545 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.040 -9.710 -8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.779 -10.704 -6.981 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.292 -10.858 -7.904 1.00 0.00 H new ATOM 1347 N GLY A 87 1.956 -15.318 -8.939 1.00 0.00 N ATOM 1348 CA GLY A 87 1.720 -16.385 -9.892 1.00 0.00 C ATOM 1349 C GLY A 87 3.016 -16.940 -10.444 1.00 0.00 C ATOM 1350 O GLY A 87 3.177 -17.062 -11.658 1.00 0.00 O ATOM 0 H GLY A 87 1.602 -15.496 -7.999 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.157 -17.185 -9.411 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.106 -16.012 -10.711 1.00 0.00 H new ATOM 1354 N GLU A 88 3.947 -17.229 -9.533 1.00 0.00 N ATOM 1355 CA GLU A 88 5.255 -17.795 -9.865 1.00 0.00 C ATOM 1356 C GLU A 88 6.181 -16.752 -10.480 1.00 0.00 C ATOM 1357 O GLU A 88 7.280 -17.076 -10.931 1.00 0.00 O ATOM 1358 CB GLU A 88 5.122 -19.008 -10.790 1.00 0.00 C ATOM 1359 CG GLU A 88 4.434 -20.189 -10.133 1.00 0.00 C ATOM 1360 CD GLU A 88 5.195 -20.694 -8.926 1.00 0.00 C ATOM 1361 OE1 GLU A 88 5.067 -20.094 -7.841 1.00 0.00 O ATOM 1362 OE2 GLU A 88 5.921 -21.700 -9.056 1.00 0.00 O ATOM 0 H GLU A 88 3.812 -17.075 -8.534 1.00 0.00 H new ATOM 0 HA GLU A 88 5.702 -18.129 -8.929 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.562 -18.719 -11.679 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.114 -19.313 -11.123 1.00 0.00 H new ATOM 0 HG2 GLU A 88 3.428 -19.899 -9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.329 -20.996 -10.858 1.00 0.00 H new ATOM 1369 N GLN A 89 5.750 -15.499 -10.473 1.00 0.00 N ATOM 1370 CA GLN A 89 6.561 -14.421 -11.000 1.00 0.00 C ATOM 1371 C GLN A 89 7.325 -13.742 -9.869 1.00 0.00 C ATOM 1372 O GLN A 89 6.762 -12.929 -9.130 1.00 0.00 O ATOM 1373 CB GLN A 89 5.673 -13.416 -11.736 1.00 0.00 C ATOM 1374 CG GLN A 89 6.444 -12.373 -12.528 1.00 0.00 C ATOM 1375 CD GLN A 89 5.549 -11.471 -13.363 1.00 0.00 C ATOM 1376 OE1 GLN A 89 5.953 -10.985 -14.421 1.00 0.00 O ATOM 1377 NE2 GLN A 89 4.335 -11.221 -12.892 1.00 0.00 N ATOM 0 H GLN A 89 4.843 -15.208 -10.108 1.00 0.00 H new ATOM 0 HA GLN A 89 7.285 -14.826 -11.707 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.014 -13.958 -12.414 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.037 -12.909 -11.010 1.00 0.00 H new ATOM 0 HG2 GLN A 89 7.025 -11.760 -11.839 1.00 0.00 H new ATOM 0 HG3 GLN A 89 7.154 -12.876 -13.184 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.033 -11.640 -12.013 1.00 0.00 H new ATOM 0 HE22 GLN A 89 3.703 -10.610 -13.409 1.00 0.00 H new ATOM 1386 N THR A 90 8.592 -14.112 -9.711 1.00 0.00 N ATOM 1387 CA THR A 90 9.441 -13.519 -8.687 1.00 0.00 C ATOM 1388 C THR A 90 9.909 -12.134 -9.121 1.00 0.00 C ATOM 1389 O THR A 90 10.769 -11.992 -9.996 1.00 0.00 O ATOM 1390 CB THR A 90 10.661 -14.409 -8.377 1.00 0.00 C ATOM 1391 OG1 THR A 90 10.224 -15.740 -8.070 1.00 0.00 O ATOM 1392 CG2 THR A 90 11.462 -13.851 -7.205 1.00 0.00 C ATOM 0 H THR A 90 9.053 -14.821 -10.281 1.00 0.00 H new ATOM 0 HA THR A 90 8.846 -13.431 -7.778 1.00 0.00 H new ATOM 0 HB THR A 90 11.304 -14.426 -9.257 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.002 -16.303 -7.875 1.00 0.00 H new ATOM 0 HG21 THR A 90 12.317 -14.498 -7.008 1.00 0.00 H new ATOM 0 HG22 THR A 90 11.814 -12.849 -7.449 1.00 0.00 H new ATOM 0 HG23 THR A 90 10.828 -13.807 -6.319 1.00 0.00 H new ATOM 1400 N VAL A 91 9.327 -11.120 -8.507 1.00 0.00 N ATOM 1401 CA VAL A 91 9.596 -9.741 -8.873 1.00 0.00 C ATOM 1402 C VAL A 91 10.105 -8.945 -7.677 1.00 0.00 C ATOM 1403 O VAL A 91 9.933 -9.358 -6.537 1.00 0.00 O ATOM 1404 CB VAL A 91 8.337 -9.074 -9.460 1.00 0.00 C ATOM 1405 CG1 VAL A 91 8.121 -9.536 -10.892 1.00 0.00 C ATOM 1406 CG2 VAL A 91 7.114 -9.395 -8.613 1.00 0.00 C ATOM 0 H VAL A 91 8.658 -11.228 -7.745 1.00 0.00 H new ATOM 0 HA VAL A 91 10.374 -9.747 -9.636 1.00 0.00 H new ATOM 0 HB VAL A 91 8.484 -7.994 -9.455 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.229 -9.059 -11.298 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.986 -9.263 -11.497 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.993 -10.618 -10.910 1.00 0.00 H new ATOM 0 HG21 VAL A 91 6.236 -8.914 -9.045 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.962 -10.474 -8.588 1.00 0.00 H new ATOM 0 HG23 VAL A 91 7.267 -9.027 -7.599 1.00 0.00 H new ATOM 1416 N ASP A 92 10.722 -7.805 -7.947 1.00 0.00 N ATOM 1417 CA ASP A 92 11.356 -7.003 -6.903 1.00 0.00 C ATOM 1418 C ASP A 92 10.539 -5.741 -6.647 1.00 0.00 C ATOM 1419 O ASP A 92 10.214 -5.008 -7.581 1.00 0.00 O ATOM 1420 CB ASP A 92 12.784 -6.632 -7.334 1.00 0.00 C ATOM 1421 CG ASP A 92 13.655 -6.157 -6.187 1.00 0.00 C ATOM 1422 OD1 ASP A 92 13.400 -5.065 -5.647 1.00 0.00 O ATOM 1423 OD2 ASP A 92 14.623 -6.868 -5.845 1.00 0.00 O ATOM 0 H ASP A 92 10.799 -7.410 -8.884 1.00 0.00 H new ATOM 0 HA ASP A 92 11.401 -7.583 -5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.252 -7.499 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.735 -5.850 -8.092 1.00 0.00 H new ATOM 1428 N VAL A 93 10.184 -5.497 -5.392 1.00 0.00 N ATOM 1429 CA VAL A 93 9.386 -4.326 -5.039 1.00 0.00 C ATOM 1430 C VAL A 93 9.977 -3.594 -3.839 1.00 0.00 C ATOM 1431 O VAL A 93 10.684 -4.185 -3.023 1.00 0.00 O ATOM 1432 CB VAL A 93 7.917 -4.688 -4.741 1.00 0.00 C ATOM 1433 CG1 VAL A 93 7.280 -5.391 -5.932 1.00 0.00 C ATOM 1434 CG2 VAL A 93 7.814 -5.545 -3.489 1.00 0.00 C ATOM 0 H VAL A 93 10.434 -6.092 -4.602 1.00 0.00 H new ATOM 0 HA VAL A 93 9.408 -3.670 -5.909 1.00 0.00 H new ATOM 0 HB VAL A 93 7.370 -3.762 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.244 -5.637 -5.698 1.00 0.00 H new ATOM 0 HG12 VAL A 93 7.310 -4.734 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.829 -6.307 -6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.768 -5.788 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 93 8.380 -6.466 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.219 -4.997 -2.639 1.00 0.00 H new ATOM 1444 N VAL A 94 9.702 -2.300 -3.748 1.00 0.00 N ATOM 1445 CA VAL A 94 10.231 -1.482 -2.667 1.00 0.00 C ATOM 1446 C VAL A 94 9.266 -1.458 -1.486 1.00 0.00 C ATOM 1447 O VAL A 94 8.054 -1.313 -1.664 1.00 0.00 O ATOM 1448 CB VAL A 94 10.505 -0.037 -3.138 1.00 0.00 C ATOM 1449 CG1 VAL A 94 11.057 0.819 -2.004 1.00 0.00 C ATOM 1450 CG2 VAL A 94 11.462 -0.038 -4.319 1.00 0.00 C ATOM 0 H VAL A 94 9.115 -1.794 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 94 11.173 -1.930 -2.352 1.00 0.00 H new ATOM 0 HB VAL A 94 9.557 0.399 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 94 11.240 1.830 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 94 10.335 0.851 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.992 0.388 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.645 0.988 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 94 12.404 -0.500 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 94 11.024 -0.603 -5.142 1.00 0.00 H new ATOM 1460 N ASP A 95 9.818 -1.625 -0.293 1.00 0.00 N ATOM 1461 CA ASP A 95 9.044 -1.586 0.939 1.00 0.00 C ATOM 1462 C ASP A 95 8.959 -0.153 1.450 1.00 0.00 C ATOM 1463 O ASP A 95 9.967 0.557 1.495 1.00 0.00 O ATOM 1464 CB ASP A 95 9.690 -2.499 1.991 1.00 0.00 C ATOM 1465 CG ASP A 95 8.850 -2.658 3.244 1.00 0.00 C ATOM 1466 OD1 ASP A 95 9.016 -1.853 4.176 1.00 0.00 O ATOM 1467 OD2 ASP A 95 8.031 -3.599 3.299 1.00 0.00 O ATOM 0 H ASP A 95 10.814 -1.791 -0.152 1.00 0.00 H new ATOM 0 HA ASP A 95 8.034 -1.945 0.743 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.864 -3.481 1.552 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.665 -2.094 2.264 1.00 0.00 H new ATOM 1472 N GLU A 96 7.756 0.266 1.823 1.00 0.00 N ATOM 1473 CA GLU A 96 7.514 1.640 2.254 1.00 0.00 C ATOM 1474 C GLU A 96 7.933 1.846 3.711 1.00 0.00 C ATOM 1475 O GLU A 96 7.856 2.957 4.244 1.00 0.00 O ATOM 1476 CB GLU A 96 6.031 1.987 2.091 1.00 0.00 C ATOM 1477 CG GLU A 96 5.482 1.736 0.693 1.00 0.00 C ATOM 1478 CD GLU A 96 6.136 2.596 -0.366 1.00 0.00 C ATOM 1479 OE1 GLU A 96 5.845 3.803 -0.415 1.00 0.00 O ATOM 1480 OE2 GLU A 96 6.923 2.062 -1.180 1.00 0.00 O ATOM 0 H GLU A 96 6.928 -0.329 1.836 1.00 0.00 H new ATOM 0 HA GLU A 96 8.115 2.299 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.452 1.404 2.807 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.885 3.037 2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.623 0.686 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.408 1.923 0.692 1.00 0.00 H new ATOM 1487 N GLY A 97 8.376 0.774 4.348 1.00 0.00 N ATOM 1488 CA GLY A 97 8.758 0.832 5.740 1.00 0.00 C ATOM 1489 C GLY A 97 8.025 -0.211 6.554 1.00 0.00 C ATOM 1490 O GLY A 97 6.834 -0.450 6.335 1.00 0.00 O ATOM 0 H GLY A 97 8.478 -0.145 3.918 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.833 0.678 5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.543 1.824 6.137 1.00 0.00 H new ATOM 1494 N GLU A 98 8.713 -0.816 7.512 1.00 0.00 N ATOM 1495 CA GLU A 98 8.120 -1.880 8.312 1.00 0.00 C ATOM 1496 C GLU A 98 7.030 -1.334 9.230 1.00 0.00 C ATOM 1497 O GLU A 98 6.233 -2.096 9.783 1.00 0.00 O ATOM 1498 CB GLU A 98 9.187 -2.627 9.112 1.00 0.00 C ATOM 1499 CG GLU A 98 10.160 -3.396 8.232 1.00 0.00 C ATOM 1500 CD GLU A 98 11.050 -4.335 9.017 1.00 0.00 C ATOM 1501 OE1 GLU A 98 10.564 -5.408 9.436 1.00 0.00 O ATOM 1502 OE2 GLU A 98 12.238 -4.011 9.216 1.00 0.00 O ATOM 0 H GLU A 98 9.678 -0.590 7.754 1.00 0.00 H new ATOM 0 HA GLU A 98 7.656 -2.591 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.742 -1.914 9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.700 -3.320 9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.599 -3.968 7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.782 -2.689 7.683 1.00 0.00 H new ATOM 1509 N LEU A 99 6.988 -0.011 9.376 1.00 0.00 N ATOM 1510 CA LEU A 99 5.891 0.638 10.083 1.00 0.00 C ATOM 1511 C LEU A 99 4.614 0.527 9.257 1.00 0.00 C ATOM 1512 O LEU A 99 3.519 0.397 9.800 1.00 0.00 O ATOM 1513 CB LEU A 99 6.199 2.115 10.392 1.00 0.00 C ATOM 1514 CG LEU A 99 6.360 3.050 9.184 1.00 0.00 C ATOM 1515 CD1 LEU A 99 6.191 4.499 9.617 1.00 0.00 C ATOM 1516 CD2 LEU A 99 7.720 2.865 8.529 1.00 0.00 C ATOM 0 H LEU A 99 7.697 0.627 9.016 1.00 0.00 H new ATOM 0 HA LEU A 99 5.758 0.129 11.037 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.399 2.506 11.021 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.116 2.156 10.980 1.00 0.00 H new ATOM 0 HG LEU A 99 5.589 2.798 8.456 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.307 5.153 8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.198 4.637 10.046 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.946 4.746 10.363 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.808 3.539 7.677 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.505 3.089 9.251 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.823 1.834 8.189 1.00 0.00 H new ATOM 1528 N ALA A 100 4.771 0.546 7.934 1.00 0.00 N ATOM 1529 CA ALA A 100 3.646 0.397 7.020 1.00 0.00 C ATOM 1530 C ALA A 100 3.223 -1.062 6.958 1.00 0.00 C ATOM 1531 O ALA A 100 2.041 -1.374 6.786 1.00 0.00 O ATOM 1532 CB ALA A 100 4.012 0.902 5.633 1.00 0.00 C ATOM 0 H ALA A 100 5.673 0.664 7.472 1.00 0.00 H new ATOM 0 HA ALA A 100 2.812 0.994 7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.159 0.782 4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.283 1.956 5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.857 0.330 5.249 1.00 0.00 H new ATOM 1538 N ALA A 101 4.203 -1.950 7.091 1.00 0.00 N ATOM 1539 CA ALA A 101 3.941 -3.378 7.164 1.00 0.00 C ATOM 1540 C ALA A 101 2.999 -3.683 8.320 1.00 0.00 C ATOM 1541 O ALA A 101 1.935 -4.275 8.130 1.00 0.00 O ATOM 1542 CB ALA A 101 5.243 -4.147 7.326 1.00 0.00 C ATOM 0 H ALA A 101 5.190 -1.701 7.150 1.00 0.00 H new ATOM 0 HA ALA A 101 3.466 -3.693 6.235 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.031 -5.215 7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.892 -3.948 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.741 -3.830 8.242 1.00 0.00 H new ATOM 1548 N ALA A 102 3.382 -3.248 9.515 1.00 0.00 N ATOM 1549 CA ALA A 102 2.567 -3.455 10.703 1.00 0.00 C ATOM 1550 C ALA A 102 1.223 -2.747 10.568 1.00 0.00 C ATOM 1551 O ALA A 102 0.181 -3.315 10.885 1.00 0.00 O ATOM 1552 CB ALA A 102 3.304 -2.965 11.941 1.00 0.00 C ATOM 0 H ALA A 102 4.255 -2.748 9.685 1.00 0.00 H new ATOM 0 HA ALA A 102 2.379 -4.524 10.808 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.683 -3.126 12.822 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.238 -3.516 12.050 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.520 -1.901 11.839 1.00 0.00 H new ATOM 1558 N TRP A 103 1.267 -1.520 10.061 1.00 0.00 N ATOM 1559 CA TRP A 103 0.079 -0.682 9.900 1.00 0.00 C ATOM 1560 C TRP A 103 -1.057 -1.437 9.206 1.00 0.00 C ATOM 1561 O TRP A 103 -2.200 -1.421 9.669 1.00 0.00 O ATOM 1562 CB TRP A 103 0.463 0.569 9.098 1.00 0.00 C ATOM 1563 CG TRP A 103 -0.609 1.613 8.977 1.00 0.00 C ATOM 1564 CD1 TRP A 103 -0.888 2.611 9.865 1.00 0.00 C ATOM 1565 CD2 TRP A 103 -1.518 1.787 7.885 1.00 0.00 C ATOM 1566 NE1 TRP A 103 -1.924 3.383 9.400 1.00 0.00 N ATOM 1567 CE2 TRP A 103 -2.325 2.900 8.186 1.00 0.00 C ATOM 1568 CE3 TRP A 103 -1.730 1.108 6.684 1.00 0.00 C ATOM 1569 CZ2 TRP A 103 -3.324 3.348 7.328 1.00 0.00 C ATOM 1570 CZ3 TRP A 103 -2.723 1.555 5.834 1.00 0.00 C ATOM 1571 CH2 TRP A 103 -3.509 2.666 6.159 1.00 0.00 C ATOM 0 H TRP A 103 2.130 -1.075 9.748 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.286 -0.396 10.887 1.00 0.00 H new ATOM 0 HB2 TRP A 103 1.338 1.023 9.563 1.00 0.00 H new ATOM 0 HB3 TRP A 103 0.760 0.260 8.096 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -0.369 2.771 10.799 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -2.328 4.186 9.882 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -1.129 0.249 6.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -3.932 4.205 7.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -2.896 1.038 4.902 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -4.277 2.991 5.472 1.00 0.00 H new ATOM 1582 N ILE A 104 -0.754 -2.114 8.105 1.00 0.00 N ATOM 1583 CA ILE A 104 -1.795 -2.840 7.397 1.00 0.00 C ATOM 1584 C ILE A 104 -1.963 -4.250 7.960 1.00 0.00 C ATOM 1585 O ILE A 104 -3.026 -4.850 7.842 1.00 0.00 O ATOM 1586 CB ILE A 104 -1.558 -2.887 5.871 1.00 0.00 C ATOM 1587 CG1 ILE A 104 -2.903 -2.897 5.144 1.00 0.00 C ATOM 1588 CG2 ILE A 104 -0.749 -4.114 5.479 1.00 0.00 C ATOM 1589 CD1 ILE A 104 -3.803 -1.738 5.520 1.00 0.00 C ATOM 0 H ILE A 104 0.177 -2.174 7.694 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.720 -2.287 7.558 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.991 -2.002 5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.726 -2.875 4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.418 -3.832 5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.598 -4.121 4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.218 -4.088 5.981 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.287 -5.014 5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.739 -1.810 4.966 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -4.011 -1.771 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -3.308 -0.798 5.275 1.00 0.00 H new ATOM 1601 N SER A 105 -0.939 -4.774 8.614 1.00 0.00 N ATOM 1602 CA SER A 105 -1.069 -6.064 9.275 1.00 0.00 C ATOM 1603 C SER A 105 -2.056 -5.946 10.434 1.00 0.00 C ATOM 1604 O SER A 105 -2.510 -6.942 10.990 1.00 0.00 O ATOM 1605 CB SER A 105 0.289 -6.574 9.762 1.00 0.00 C ATOM 1606 OG SER A 105 1.180 -6.758 8.671 1.00 0.00 O ATOM 0 H SER A 105 -0.022 -4.335 8.702 1.00 0.00 H new ATOM 0 HA SER A 105 -1.450 -6.790 8.557 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.716 -5.864 10.470 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.159 -7.516 10.294 1.00 0.00 H new ATOM 0 HG SER A 105 1.693 -5.936 8.525 1.00 0.00 H new ATOM 1612 N ASN A 106 -2.379 -4.707 10.785 1.00 0.00 N ATOM 1613 CA ASN A 106 -3.404 -4.429 11.780 1.00 0.00 C ATOM 1614 C ASN A 106 -4.778 -4.297 11.116 1.00 0.00 C ATOM 1615 O ASN A 106 -5.743 -4.931 11.542 1.00 0.00 O ATOM 1616 CB ASN A 106 -3.068 -3.146 12.547 1.00 0.00 C ATOM 1617 CG ASN A 106 -1.690 -3.174 13.191 1.00 0.00 C ATOM 1618 OD1 ASN A 106 -1.047 -2.139 13.351 1.00 0.00 O ATOM 1619 ND2 ASN A 106 -1.226 -4.351 13.577 1.00 0.00 N ATOM 0 H ASN A 106 -1.941 -3.874 10.391 1.00 0.00 H new ATOM 0 HA ASN A 106 -3.434 -5.263 12.482 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.126 -2.298 11.865 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.820 -2.985 13.320 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.310 -4.417 14.021 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -1.784 -5.192 13.430 1.00 0.00 H new ATOM 1626 N HIS A 107 -4.860 -3.480 10.060 1.00 0.00 N ATOM 1627 CA HIS A 107 -6.133 -3.245 9.367 1.00 0.00 C ATOM 1628 C HIS A 107 -6.517 -4.429 8.473 1.00 0.00 C ATOM 1629 O HIS A 107 -7.666 -4.857 8.469 1.00 0.00 O ATOM 1630 CB HIS A 107 -6.069 -1.954 8.543 1.00 0.00 C ATOM 1631 CG HIS A 107 -7.305 -1.686 7.727 1.00 0.00 C ATOM 1632 ND1 HIS A 107 -8.441 -1.088 8.237 1.00 0.00 N ATOM 1633 CD2 HIS A 107 -7.576 -1.947 6.424 1.00 0.00 C ATOM 1634 CE1 HIS A 107 -9.350 -0.996 7.281 1.00 0.00 C ATOM 1635 NE2 HIS A 107 -8.851 -1.509 6.175 1.00 0.00 N ATOM 0 H HIS A 107 -4.066 -2.973 9.668 1.00 0.00 H new ATOM 0 HA HIS A 107 -6.905 -3.139 10.129 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.901 -1.113 9.216 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -5.209 -2.004 7.875 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -6.910 -2.414 5.713 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.337 -0.571 7.389 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.335 -1.570 5.279 1.00 0.00 H new ATOM 1644 N ALA A 108 -5.562 -4.932 7.699 1.00 0.00 N ATOM 1645 CA ALA A 108 -5.789 -6.123 6.892 1.00 0.00 C ATOM 1646 C ALA A 108 -5.871 -7.328 7.813 1.00 0.00 C ATOM 1647 O ALA A 108 -6.645 -8.258 7.588 1.00 0.00 O ATOM 1648 CB ALA A 108 -4.688 -6.310 5.857 1.00 0.00 C ATOM 0 H ALA A 108 -4.626 -4.535 7.614 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.726 -6.011 6.346 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.888 -7.208 5.272 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.660 -5.444 5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.727 -6.412 6.362 1.00 0.00 H new ATOM 1654 N GLY A 109 -5.052 -7.300 8.855 1.00 0.00 N ATOM 1655 CA GLY A 109 -5.167 -8.288 9.915 1.00 0.00 C ATOM 1656 C GLY A 109 -4.144 -9.396 9.810 1.00 0.00 C ATOM 1657 O GLY A 109 -3.725 -9.961 10.820 1.00 0.00 O ATOM 0 H GLY A 109 -4.310 -6.613 8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -5.058 -7.791 10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -6.167 -8.722 9.892 1.00 0.00 H new ATOM 1661 N VAL A 110 -3.754 -9.719 8.592 1.00 0.00 N ATOM 1662 CA VAL A 110 -2.747 -10.741 8.364 1.00 0.00 C ATOM 1663 C VAL A 110 -1.421 -10.081 8.008 1.00 0.00 C ATOM 1664 O VAL A 110 -1.412 -8.934 7.560 1.00 0.00 O ATOM 1665 CB VAL A 110 -3.175 -11.723 7.248 1.00 0.00 C ATOM 1666 CG1 VAL A 110 -4.395 -12.522 7.679 1.00 0.00 C ATOM 1667 CG2 VAL A 110 -3.459 -10.983 5.949 1.00 0.00 C ATOM 0 H VAL A 110 -4.119 -9.288 7.743 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.633 -11.318 9.282 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.350 -12.413 7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.681 -13.207 6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -4.158 -13.091 8.578 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.221 -11.842 7.887 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.758 -11.697 5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.262 -10.264 6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.560 -10.457 5.626 1.00 0.00 H new ATOM 1677 N PRO A 111 -0.291 -10.783 8.216 1.00 0.00 N ATOM 1678 CA PRO A 111 1.044 -10.235 7.948 1.00 0.00 C ATOM 1679 C PRO A 111 1.195 -9.761 6.508 1.00 0.00 C ATOM 1680 O PRO A 111 1.381 -10.561 5.592 1.00 0.00 O ATOM 1681 CB PRO A 111 1.987 -11.410 8.229 1.00 0.00 C ATOM 1682 CG PRO A 111 1.218 -12.303 9.139 1.00 0.00 C ATOM 1683 CD PRO A 111 -0.220 -12.159 8.735 1.00 0.00 C ATOM 0 HA PRO A 111 1.251 -9.358 8.561 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.263 -11.925 7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 111 2.913 -11.072 8.695 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.549 -13.337 9.044 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.362 -12.017 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -0.500 -12.890 7.976 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.892 -12.305 9.581 1.00 0.00 H new ATOM 1691 N CYS A 112 1.067 -8.458 6.316 1.00 0.00 N ATOM 1692 CA CYS A 112 1.182 -7.855 5.000 1.00 0.00 C ATOM 1693 C CYS A 112 2.060 -6.615 5.072 1.00 0.00 C ATOM 1694 O CYS A 112 2.610 -6.299 6.128 1.00 0.00 O ATOM 1695 CB CYS A 112 -0.199 -7.473 4.467 1.00 0.00 C ATOM 1696 SG CYS A 112 -1.388 -8.829 4.451 1.00 0.00 S ATOM 0 H CYS A 112 0.881 -7.792 7.066 1.00 0.00 H new ATOM 0 HA CYS A 112 1.635 -8.581 4.324 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -0.599 -6.662 5.075 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -0.091 -7.088 3.453 1.00 0.00 H new ATOM 0 HG CYS A 112 -1.777 -9.079 5.666 1.00 0.00 H new ATOM 1702 N ARG A 113 2.189 -5.924 3.951 1.00 0.00 N ATOM 1703 CA ARG A 113 2.929 -4.674 3.899 1.00 0.00 C ATOM 1704 C ARG A 113 2.633 -3.940 2.603 1.00 0.00 C ATOM 1705 O ARG A 113 2.448 -4.566 1.556 1.00 0.00 O ATOM 1706 CB ARG A 113 4.430 -4.930 4.045 1.00 0.00 C ATOM 1707 CG ARG A 113 4.984 -5.937 3.055 1.00 0.00 C ATOM 1708 CD ARG A 113 6.322 -6.477 3.523 1.00 0.00 C ATOM 1709 NE ARG A 113 6.199 -7.188 4.797 1.00 0.00 N ATOM 1710 CZ ARG A 113 7.108 -8.034 5.269 1.00 0.00 C ATOM 1711 NH1 ARG A 113 8.221 -8.264 4.587 1.00 0.00 N ATOM 1712 NH2 ARG A 113 6.896 -8.654 6.426 1.00 0.00 N ATOM 0 H ARG A 113 1.787 -6.211 3.058 1.00 0.00 H new ATOM 0 HA ARG A 113 2.609 -4.047 4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.962 -3.987 3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 113 4.631 -5.282 5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 113 4.278 -6.759 2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 113 5.099 -5.467 2.078 1.00 0.00 H new ATOM 0 HD2 ARG A 113 6.728 -7.150 2.768 1.00 0.00 H new ATOM 0 HD3 ARG A 113 7.029 -5.655 3.631 1.00 0.00 H new ATOM 0 HE ARG A 113 5.363 -7.023 5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 113 8.381 -7.791 3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 113 8.917 -8.914 4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 113 6.037 -8.479 6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 113 7.592 -9.304 6.791 1.00 0.00 H new ATOM 1726 N ILE A 114 2.554 -2.620 2.685 1.00 0.00 N ATOM 1727 CA ILE A 114 2.312 -1.797 1.513 1.00 0.00 C ATOM 1728 C ILE A 114 3.605 -1.627 0.734 1.00 0.00 C ATOM 1729 O ILE A 114 4.610 -1.175 1.279 1.00 0.00 O ATOM 1730 CB ILE A 114 1.737 -0.416 1.899 1.00 0.00 C ATOM 1731 CG1 ILE A 114 0.422 -0.593 2.669 1.00 0.00 C ATOM 1732 CG2 ILE A 114 1.517 0.438 0.656 1.00 0.00 C ATOM 1733 CD1 ILE A 114 -0.218 0.705 3.104 1.00 0.00 C ATOM 0 H ILE A 114 2.655 -2.096 3.554 1.00 0.00 H new ATOM 0 HA ILE A 114 1.573 -2.300 0.890 1.00 0.00 H new ATOM 0 HB ILE A 114 2.454 0.096 2.541 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -0.282 -1.141 2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.609 -1.207 3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 114 1.112 1.407 0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 114 2.467 0.582 0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.815 -0.063 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.142 0.493 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 114 0.466 1.247 3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -0.440 1.313 2.227 1.00 0.00 H new ATOM 1745 N LEU A 115 3.576 -2.015 -0.530 1.00 0.00 N ATOM 1746 CA LEU A 115 4.769 -2.034 -1.360 1.00 0.00 C ATOM 1747 C LEU A 115 4.465 -1.427 -2.723 1.00 0.00 C ATOM 1748 O LEU A 115 3.331 -1.496 -3.200 1.00 0.00 O ATOM 1749 CB LEU A 115 5.253 -3.481 -1.543 1.00 0.00 C ATOM 1750 CG LEU A 115 5.423 -4.289 -0.251 1.00 0.00 C ATOM 1751 CD1 LEU A 115 5.768 -5.736 -0.556 1.00 0.00 C ATOM 1752 CD2 LEU A 115 6.492 -3.673 0.622 1.00 0.00 C ATOM 0 H LEU A 115 2.730 -2.324 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 115 5.548 -1.449 -0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 115 4.546 -4.003 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.208 -3.462 -2.068 1.00 0.00 H new ATOM 0 HG LEU A 115 4.474 -4.268 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.883 -6.287 0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.968 -6.184 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.701 -5.777 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.599 -4.259 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.440 -3.663 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 115 6.209 -2.652 0.878 1.00 0.00 H new ATOM 1764 N LYS A 116 5.464 -0.822 -3.348 1.00 0.00 N ATOM 1765 CA LYS A 116 5.302 -0.343 -4.709 1.00 0.00 C ATOM 1766 C LYS A 116 6.264 -1.076 -5.635 1.00 0.00 C ATOM 1767 O LYS A 116 7.413 -1.345 -5.270 1.00 0.00 O ATOM 1768 CB LYS A 116 5.485 1.180 -4.815 1.00 0.00 C ATOM 1769 CG LYS A 116 6.903 1.677 -4.580 1.00 0.00 C ATOM 1770 CD LYS A 116 7.040 3.137 -4.990 1.00 0.00 C ATOM 1771 CE LYS A 116 6.355 4.076 -4.008 1.00 0.00 C ATOM 1772 NZ LYS A 116 7.091 4.187 -2.721 1.00 0.00 N ATOM 0 H LYS A 116 6.383 -0.653 -2.940 1.00 0.00 H new ATOM 0 HA LYS A 116 4.279 -0.556 -5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 116 5.164 1.501 -5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 116 4.824 1.661 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.163 1.564 -3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 116 7.606 1.068 -5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 116 8.097 3.395 -5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 116 6.611 3.276 -5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 116 6.265 5.065 -4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 116 5.343 3.720 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 6.459 4.574 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.422 3.246 -2.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 7.908 4.819 -2.842 1.00 0.00 H new ATOM 1786 N VAL A 117 5.780 -1.419 -6.818 1.00 0.00 N ATOM 1787 CA VAL A 117 6.559 -2.204 -7.766 1.00 0.00 C ATOM 1788 C VAL A 117 7.776 -1.427 -8.267 1.00 0.00 C ATOM 1789 O VAL A 117 7.713 -0.213 -8.477 1.00 0.00 O ATOM 1790 CB VAL A 117 5.697 -2.647 -8.968 1.00 0.00 C ATOM 1791 CG1 VAL A 117 6.475 -3.585 -9.878 1.00 0.00 C ATOM 1792 CG2 VAL A 117 4.414 -3.313 -8.494 1.00 0.00 C ATOM 0 H VAL A 117 4.848 -1.166 -7.147 1.00 0.00 H new ATOM 0 HA VAL A 117 6.905 -3.091 -7.235 1.00 0.00 H new ATOM 0 HB VAL A 117 5.434 -1.756 -9.539 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.846 -3.883 -10.717 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.363 -3.075 -10.253 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.775 -4.470 -9.317 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.822 -3.617 -9.357 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.659 -4.190 -7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.841 -2.610 -7.890 1.00 0.00 H new ATOM 1802 N HIS A 118 8.883 -2.143 -8.440 1.00 0.00 N ATOM 1803 CA HIS A 118 10.125 -1.554 -8.927 1.00 0.00 C ATOM 1804 C HIS A 118 9.959 -0.977 -10.324 1.00 0.00 C ATOM 1805 O HIS A 118 9.272 -1.557 -11.167 1.00 0.00 O ATOM 1806 CB HIS A 118 11.228 -2.606 -8.960 1.00 0.00 C ATOM 1807 CG HIS A 118 12.330 -2.364 -7.985 1.00 0.00 C ATOM 1808 ND1 HIS A 118 13.558 -1.883 -8.356 1.00 0.00 N ATOM 1809 CD2 HIS A 118 12.392 -2.554 -6.649 1.00 0.00 C ATOM 1810 CE1 HIS A 118 14.332 -1.792 -7.303 1.00 0.00 C ATOM 1811 NE2 HIS A 118 13.653 -2.193 -6.242 1.00 0.00 N ATOM 0 H HIS A 118 8.944 -3.143 -8.248 1.00 0.00 H new ATOM 0 HA HIS A 118 10.393 -0.748 -8.243 1.00 0.00 H new ATOM 0 HB2 HIS A 118 10.789 -3.584 -8.760 1.00 0.00 H new ATOM 0 HB3 HIS A 118 11.648 -2.645 -9.965 1.00 0.00 H new ATOM 0 HD1 HIS A 118 13.828 -1.634 -9.307 1.00 0.00 H new ATOM 0 HD2 HIS A 118 11.597 -2.922 -6.018 1.00 0.00 H new ATOM 0 HE1 HIS A 118 15.355 -1.447 -7.302 1.00 0.00 H new ATOM 1820 N PRO A 119 10.606 0.166 -10.595 1.00 0.00 N ATOM 1821 CA PRO A 119 10.624 0.769 -11.932 1.00 0.00 C ATOM 1822 C PRO A 119 11.336 -0.123 -12.946 1.00 0.00 C ATOM 1823 O PRO A 119 11.154 0.021 -14.153 1.00 0.00 O ATOM 1824 CB PRO A 119 11.394 2.080 -11.733 1.00 0.00 C ATOM 1825 CG PRO A 119 12.183 1.879 -10.486 1.00 0.00 C ATOM 1826 CD PRO A 119 11.355 0.975 -9.618 1.00 0.00 C ATOM 0 HA PRO A 119 9.619 0.916 -12.328 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.045 2.288 -12.582 1.00 0.00 H new ATOM 0 HB3 PRO A 119 10.714 2.926 -11.637 1.00 0.00 H new ATOM 0 HG2 PRO A 119 13.152 1.431 -10.705 1.00 0.00 H new ATOM 0 HG3 PRO A 119 12.376 2.829 -9.988 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.977 0.354 -8.974 1.00 0.00 H new ATOM 0 HD3 PRO A 119 10.688 1.541 -8.968 1.00 0.00 H new ATOM 1834 N ASP A 120 12.142 -1.053 -12.435 1.00 0.00 N ATOM 1835 CA ASP A 120 12.884 -1.994 -13.276 1.00 0.00 C ATOM 1836 C ASP A 120 11.958 -2.983 -13.982 1.00 0.00 C ATOM 1837 O ASP A 120 12.395 -3.722 -14.862 1.00 0.00 O ATOM 1838 CB ASP A 120 13.888 -2.776 -12.425 1.00 0.00 C ATOM 1839 CG ASP A 120 14.830 -1.875 -11.661 1.00 0.00 C ATOM 1840 OD1 ASP A 120 14.374 -1.222 -10.698 1.00 0.00 O ATOM 1841 OD2 ASP A 120 16.022 -1.808 -12.017 1.00 0.00 O ATOM 0 H ASP A 120 12.299 -1.176 -11.435 1.00 0.00 H new ATOM 0 HA ASP A 120 13.403 -1.409 -14.035 1.00 0.00 H new ATOM 0 HB2 ASP A 120 13.347 -3.409 -11.722 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.467 -3.438 -13.069 1.00 0.00 H new ATOM 1846 N MET A 121 10.687 -3.008 -13.589 1.00 0.00 N ATOM 1847 CA MET A 121 9.738 -3.968 -14.151 1.00 0.00 C ATOM 1848 C MET A 121 8.341 -3.364 -14.286 1.00 0.00 C ATOM 1849 O MET A 121 7.684 -3.547 -15.310 1.00 0.00 O ATOM 1850 CB MET A 121 9.713 -5.244 -13.298 1.00 0.00 C ATOM 1851 CG MET A 121 9.582 -4.986 -11.806 1.00 0.00 C ATOM 1852 SD MET A 121 9.978 -6.437 -10.810 1.00 0.00 S ATOM 1853 CE MET A 121 11.671 -6.747 -11.314 1.00 0.00 C ATOM 0 H MET A 121 10.292 -2.380 -12.889 1.00 0.00 H new ATOM 0 HA MET A 121 10.070 -4.228 -15.156 1.00 0.00 H new ATOM 0 HB2 MET A 121 8.882 -5.870 -13.623 1.00 0.00 H new ATOM 0 HB3 MET A 121 10.627 -5.809 -13.480 1.00 0.00 H new ATOM 0 HG2 MET A 121 10.242 -4.166 -11.524 1.00 0.00 H new ATOM 0 HG3 MET A 121 8.564 -4.666 -11.585 1.00 0.00 H new ATOM 0 HE1 MET A 121 12.266 -7.019 -10.442 1.00 0.00 H new ATOM 0 HE2 MET A 121 11.692 -7.563 -12.037 1.00 0.00 H new ATOM 0 HE3 MET A 121 12.085 -5.848 -11.770 1.00 0.00 H new ATOM 1863 N ALA A 122 7.902 -2.656 -13.245 1.00 0.00 N ATOM 1864 CA ALA A 122 6.654 -1.880 -13.258 1.00 0.00 C ATOM 1865 C ALA A 122 5.384 -2.742 -13.313 1.00 0.00 C ATOM 1866 O ALA A 122 4.590 -2.738 -12.373 1.00 0.00 O ATOM 1867 CB ALA A 122 6.659 -0.876 -14.402 1.00 0.00 C ATOM 0 H ALA A 122 8.405 -2.602 -12.359 1.00 0.00 H new ATOM 0 HA ALA A 122 6.623 -1.354 -12.304 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.727 -0.311 -14.395 1.00 0.00 H new ATOM 0 HB2 ALA A 122 7.499 -0.192 -14.282 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.755 -1.405 -15.350 1.00 0.00 H new ATOM 1873 N GLU A 123 5.201 -3.474 -14.403 1.00 0.00 N ATOM 1874 CA GLU A 123 3.933 -4.141 -14.681 1.00 0.00 C ATOM 1875 C GLU A 123 3.668 -5.317 -13.737 1.00 0.00 C ATOM 1876 O GLU A 123 2.852 -5.198 -12.820 1.00 0.00 O ATOM 1877 CB GLU A 123 3.893 -4.595 -16.140 1.00 0.00 C ATOM 1878 CG GLU A 123 2.564 -5.196 -16.554 1.00 0.00 C ATOM 1879 CD GLU A 123 2.446 -5.353 -18.052 1.00 0.00 C ATOM 1880 OE1 GLU A 123 3.057 -6.286 -18.604 1.00 0.00 O ATOM 1881 OE2 GLU A 123 1.738 -4.539 -18.681 1.00 0.00 O ATOM 0 H GLU A 123 5.918 -3.623 -15.114 1.00 0.00 H new ATOM 0 HA GLU A 123 3.137 -3.418 -14.506 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.112 -3.743 -16.783 1.00 0.00 H new ATOM 0 HB3 GLU A 123 4.681 -5.330 -16.305 1.00 0.00 H new ATOM 0 HG2 GLU A 123 2.445 -6.170 -16.079 1.00 0.00 H new ATOM 0 HG3 GLU A 123 1.753 -4.563 -16.193 1.00 0.00 H new ATOM 1888 N VAL A 124 4.349 -6.446 -13.973 1.00 0.00 N ATOM 1889 CA VAL A 124 4.181 -7.663 -13.160 1.00 0.00 C ATOM 1890 C VAL A 124 2.787 -8.282 -13.347 1.00 0.00 C ATOM 1891 O VAL A 124 2.642 -9.290 -14.042 1.00 0.00 O ATOM 1892 CB VAL A 124 4.434 -7.392 -11.659 1.00 0.00 C ATOM 1893 CG1 VAL A 124 4.298 -8.667 -10.845 1.00 0.00 C ATOM 1894 CG2 VAL A 124 5.805 -6.770 -11.451 1.00 0.00 C ATOM 0 H VAL A 124 5.028 -6.544 -14.727 1.00 0.00 H new ATOM 0 HA VAL A 124 4.928 -8.374 -13.513 1.00 0.00 H new ATOM 0 HB VAL A 124 3.679 -6.687 -11.312 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.481 -8.448 -9.793 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.291 -9.068 -10.963 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.024 -9.401 -11.194 1.00 0.00 H new ATOM 0 HG21 VAL A 124 5.964 -6.587 -10.388 1.00 0.00 H new ATOM 0 HG22 VAL A 124 6.573 -7.450 -11.821 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.863 -5.827 -11.994 1.00 0.00 H new ATOM 1904 N ARG A 125 1.792 -7.675 -12.700 1.00 0.00 N ATOM 1905 CA ARG A 125 0.372 -8.037 -12.837 1.00 0.00 C ATOM 1906 C ARG A 125 -0.042 -9.230 -11.977 1.00 0.00 C ATOM 1907 O ARG A 125 0.626 -10.265 -11.943 1.00 0.00 O ATOM 1908 CB ARG A 125 -0.022 -8.291 -14.296 1.00 0.00 C ATOM 1909 CG ARG A 125 -0.084 -7.032 -15.139 1.00 0.00 C ATOM 1910 CD ARG A 125 -0.657 -7.315 -16.514 1.00 0.00 C ATOM 1911 NE ARG A 125 0.176 -8.230 -17.288 1.00 0.00 N ATOM 1912 CZ ARG A 125 0.266 -8.206 -18.616 1.00 0.00 C ATOM 1913 NH1 ARG A 125 -0.424 -7.313 -19.321 1.00 0.00 N ATOM 1914 NH2 ARG A 125 1.038 -9.085 -19.239 1.00 0.00 N ATOM 0 H ARG A 125 1.948 -6.903 -12.052 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.171 -7.166 -12.469 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.694 -8.981 -14.742 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.995 -8.782 -14.320 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -0.696 -6.284 -14.635 1.00 0.00 H new ATOM 0 HG3 ARG A 125 0.916 -6.610 -15.240 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.656 -7.739 -16.408 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.765 -6.377 -17.059 1.00 0.00 H new ATOM 0 HE ARG A 125 0.721 -8.928 -16.782 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.026 -6.642 -18.844 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -0.351 -7.300 -20.338 1.00 0.00 H new ATOM 0 HH21 ARG A 125 1.560 -9.776 -18.701 1.00 0.00 H new ATOM 0 HH22 ARG A 125 1.110 -9.070 -20.256 1.00 0.00 H new ATOM 1928 N TRP A 126 -1.158 -9.038 -11.272 1.00 0.00 N ATOM 1929 CA TRP A 126 -1.863 -10.091 -10.544 1.00 0.00 C ATOM 1930 C TRP A 126 -2.230 -11.226 -11.511 1.00 0.00 C ATOM 1931 O TRP A 126 -2.422 -10.970 -12.704 1.00 0.00 O ATOM 1932 CB TRP A 126 -3.143 -9.480 -9.933 1.00 0.00 C ATOM 1933 CG TRP A 126 -3.672 -10.206 -8.730 1.00 0.00 C ATOM 1934 CD1 TRP A 126 -3.217 -10.087 -7.454 1.00 0.00 C ATOM 1935 CD2 TRP A 126 -4.754 -11.144 -8.682 1.00 0.00 C ATOM 1936 NE1 TRP A 126 -3.925 -10.909 -6.616 1.00 0.00 N ATOM 1937 CE2 TRP A 126 -4.876 -11.569 -7.346 1.00 0.00 C ATOM 1938 CE3 TRP A 126 -5.622 -11.674 -9.639 1.00 0.00 C ATOM 1939 CZ2 TRP A 126 -5.832 -12.498 -6.944 1.00 0.00 C ATOM 1940 CZ3 TRP A 126 -6.570 -12.595 -9.239 1.00 0.00 C ATOM 1941 CH2 TRP A 126 -6.668 -12.999 -7.904 1.00 0.00 C ATOM 0 H TRP A 126 -1.606 -8.125 -11.190 1.00 0.00 H new ATOM 0 HA TRP A 126 -1.231 -10.498 -9.754 1.00 0.00 H new ATOM 0 HB2 TRP A 126 -2.939 -8.446 -9.656 1.00 0.00 H new ATOM 0 HB3 TRP A 126 -3.919 -9.458 -10.698 1.00 0.00 H new ATOM 0 HD1 TRP A 126 -2.412 -9.437 -7.145 1.00 0.00 H new ATOM 0 HE1 TRP A 126 -3.769 -11.012 -5.613 1.00 0.00 H new ATOM 0 HE3 TRP A 126 -5.553 -11.369 -10.673 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 -5.911 -12.811 -5.913 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 -7.248 -13.011 -9.970 1.00 0.00 H new ATOM 0 HH2 TRP A 126 -7.420 -13.722 -7.625 1.00 0.00 H new ATOM 1952 N PRO A 127 -2.307 -12.488 -11.027 1.00 0.00 N ATOM 1953 CA PRO A 127 -2.705 -13.638 -11.847 1.00 0.00 C ATOM 1954 C PRO A 127 -3.913 -13.333 -12.729 1.00 0.00 C ATOM 1955 O PRO A 127 -4.992 -13.002 -12.243 1.00 0.00 O ATOM 1956 CB PRO A 127 -3.047 -14.729 -10.815 1.00 0.00 C ATOM 1957 CG PRO A 127 -2.959 -14.063 -9.479 1.00 0.00 C ATOM 1958 CD PRO A 127 -2.014 -12.909 -9.657 1.00 0.00 C ATOM 0 HA PRO A 127 -1.916 -13.931 -12.539 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -4.045 -15.132 -10.987 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -2.350 -15.564 -10.883 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -3.939 -13.718 -9.149 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.592 -14.755 -8.721 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -2.201 -12.113 -8.936 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -0.974 -13.211 -9.536 1.00 0.00 H new ATOM 1966 N SER A 128 -3.720 -13.459 -14.026 1.00 0.00 N ATOM 1967 CA SER A 128 -4.726 -13.084 -14.995 1.00 0.00 C ATOM 1968 C SER A 128 -5.463 -14.321 -15.473 1.00 0.00 C ATOM 1969 O SER A 128 -5.601 -14.562 -16.670 1.00 0.00 O ATOM 1970 CB SER A 128 -4.063 -12.358 -16.165 1.00 0.00 C ATOM 1971 OG SER A 128 -3.224 -11.311 -15.699 1.00 0.00 O ATOM 0 H SER A 128 -2.861 -13.824 -14.437 1.00 0.00 H new ATOM 0 HA SER A 128 -5.449 -12.411 -14.534 1.00 0.00 H new ATOM 0 HB2 SER A 128 -3.477 -13.065 -16.753 1.00 0.00 H new ATOM 0 HB3 SER A 128 -4.828 -11.950 -16.826 1.00 0.00 H new ATOM 0 HG SER A 128 -2.808 -10.860 -16.463 1.00 0.00 H new ATOM 1977 N LEU A 129 -5.933 -15.104 -14.509 1.00 0.00 N ATOM 1978 CA LEU A 129 -6.696 -16.324 -14.787 1.00 0.00 C ATOM 1979 C LEU A 129 -8.036 -16.022 -15.456 1.00 0.00 C ATOM 1980 O LEU A 129 -8.809 -16.926 -15.775 1.00 0.00 O ATOM 1981 CB LEU A 129 -6.922 -17.144 -13.507 1.00 0.00 C ATOM 1982 CG LEU A 129 -7.782 -16.477 -12.421 1.00 0.00 C ATOM 1983 CD1 LEU A 129 -8.354 -17.532 -11.486 1.00 0.00 C ATOM 1984 CD2 LEU A 129 -6.971 -15.466 -11.620 1.00 0.00 C ATOM 0 H LEU A 129 -5.799 -14.916 -13.515 1.00 0.00 H new ATOM 0 HA LEU A 129 -6.098 -16.914 -15.482 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -7.390 -18.089 -13.783 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -5.950 -17.383 -13.076 1.00 0.00 H new ATOM 0 HG LEU A 129 -8.597 -15.949 -12.915 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -8.961 -17.049 -10.721 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -8.972 -18.226 -12.055 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -7.539 -18.078 -11.011 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -7.606 -15.011 -10.860 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -6.133 -15.971 -11.139 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -6.593 -14.692 -12.288 1.00 0.00 H new ATOM 1996 N GLU A 130 -8.286 -14.752 -15.668 1.00 0.00 N ATOM 1997 CA GLU A 130 -9.468 -14.293 -16.373 1.00 0.00 C ATOM 1998 C GLU A 130 -9.122 -13.039 -17.164 1.00 0.00 C ATOM 1999 O GLU A 130 -8.706 -13.172 -18.332 1.00 0.00 O ATOM 2000 CB GLU A 130 -10.618 -14.016 -15.398 1.00 0.00 C ATOM 2001 CG GLU A 130 -11.922 -13.650 -16.091 1.00 0.00 C ATOM 2002 CD GLU A 130 -13.061 -13.418 -15.122 1.00 0.00 C ATOM 2003 OE1 GLU A 130 -13.198 -12.285 -14.618 1.00 0.00 O ATOM 2004 OE2 GLU A 130 -13.832 -14.363 -14.865 1.00 0.00 O ATOM 0 H GLU A 130 -7.673 -13.999 -15.355 1.00 0.00 H new ATOM 0 HA GLU A 130 -9.799 -15.074 -17.057 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -10.780 -14.898 -14.778 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -10.330 -13.205 -14.729 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -11.770 -12.750 -16.687 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -12.196 -14.447 -16.782 1.00 0.00 H new TER 2011 GLU A 130