USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 734 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 Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= -0.226 K(o=-0.23,f=-2.5) USER MOD Single : A 4 MET CE :methyl 176:sc= 0 (180deg=-0.0136) USER MOD Single : A 8 CYS SG : rot -156:sc= -1.85! USER MOD Single : A 9 MET CE :methyl 163:sc= 0 (180deg=-0.199) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.156 USER MOD Single : A 13 LYS NZ :NH3+ 178:sc= 0.812 (180deg=0.804) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -69:sc= 0.484 USER MOD Single : A 25 TYR OH : rot 180:sc=-0.00666 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 162:sc= -0.0401 (180deg=-0.277) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 96:sc= 0.633 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.268 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -146:sc= 0.679 (180deg=0.0867) USER MOD Single : A 75 SER OG : rot -40:sc= 0.352 USER MOD Single : A 76 LYS NZ :NH3+ 146:sc= 0.452 (180deg=0.0868) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 179:sc= 0.337 (180deg=0.335) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 7.263 3.162 11.478 1.00 0.00 N ATOM 2 CA GLN A 1 8.722 3.014 11.665 1.00 0.00 C ATOM 3 C GLN A 1 9.035 1.545 11.964 1.00 0.00 C ATOM 4 O GLN A 1 8.603 1.016 12.997 1.00 0.00 O ATOM 5 CB GLN A 1 9.225 3.931 12.813 1.00 0.00 C ATOM 6 CG GLN A 1 10.761 3.909 13.025 1.00 0.00 C ATOM 7 CD GLN A 1 11.243 4.781 14.195 1.00 0.00 C ATOM 8 OE1 GLN A 1 10.644 5.811 14.511 1.00 0.00 O ATOM 9 NE2 GLN A 1 12.321 4.374 14.856 1.00 0.00 N ATOM 0 H1 GLN A 1 7.038 4.157 11.274 1.00 0.00 H new ATOM 0 H2 GLN A 1 6.953 2.567 10.683 1.00 0.00 H new ATOM 0 H3 GLN A 1 6.770 2.866 12.345 1.00 0.00 H new ATOM 0 HA GLN A 1 9.239 3.317 10.754 1.00 0.00 H new ATOM 0 HB2 GLN A 1 8.914 4.955 12.606 1.00 0.00 H new ATOM 0 HB3 GLN A 1 8.738 3.631 13.741 1.00 0.00 H new ATOM 0 HG2 GLN A 1 11.079 2.881 13.197 1.00 0.00 H new ATOM 0 HG3 GLN A 1 11.249 4.245 12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 1 12.799 3.518 14.575 1.00 0.00 H new ATOM 0 HE22 GLN A 1 12.671 4.918 15.645 1.00 0.00 H new ATOM 20 N GLY A 2 9.768 0.893 11.046 1.00 0.00 N ATOM 21 CA GLY A 2 10.117 -0.516 11.182 1.00 0.00 C ATOM 22 C GLY A 2 11.261 -0.910 10.261 1.00 0.00 C ATOM 23 O GLY A 2 11.448 -0.310 9.192 1.00 0.00 O ATOM 0 H GLY A 2 10.129 1.331 10.198 1.00 0.00 H new ATOM 0 HA2 GLY A 2 10.396 -0.723 12.215 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.244 -1.129 10.959 1.00 0.00 H new ATOM 27 N HIS A 3 12.031 -1.926 10.679 1.00 0.00 N ATOM 28 CA HIS A 3 13.165 -2.462 9.911 1.00 0.00 C ATOM 29 C HIS A 3 13.076 -3.999 9.867 1.00 0.00 C ATOM 30 O HIS A 3 13.445 -4.697 10.816 1.00 0.00 O ATOM 31 CB HIS A 3 14.527 -1.957 10.492 1.00 0.00 C ATOM 32 CG HIS A 3 14.747 -2.223 11.967 1.00 0.00 C ATOM 33 ND1 HIS A 3 15.282 -3.396 12.442 1.00 0.00 N ATOM 34 CD2 HIS A 3 14.491 -1.467 13.056 1.00 0.00 C ATOM 35 CE1 HIS A 3 15.355 -3.352 13.752 1.00 0.00 C ATOM 36 NE2 HIS A 3 14.877 -2.192 14.153 1.00 0.00 N ATOM 0 H HIS A 3 11.883 -2.403 11.568 1.00 0.00 H new ATOM 0 HA HIS A 3 13.116 -2.094 8.886 1.00 0.00 H new ATOM 0 HB2 HIS A 3 15.337 -2.425 9.932 1.00 0.00 H new ATOM 0 HB3 HIS A 3 14.599 -0.883 10.320 1.00 0.00 H new ATOM 0 HD1 HIS A 3 15.578 -4.183 11.864 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.062 -0.476 13.062 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.741 -4.133 14.391 1.00 0.00 H new ATOM 45 N MET A 4 12.489 -4.510 8.774 1.00 0.00 N ATOM 46 CA MET A 4 12.524 -5.942 8.442 1.00 0.00 C ATOM 47 C MET A 4 13.922 -6.247 7.884 1.00 0.00 C ATOM 48 O MET A 4 14.182 -6.013 6.709 1.00 0.00 O ATOM 49 CB MET A 4 11.387 -6.314 7.429 1.00 0.00 C ATOM 50 CG MET A 4 11.470 -7.739 6.837 1.00 0.00 C ATOM 51 SD MET A 4 11.537 -9.042 8.090 1.00 0.00 S ATOM 52 CE MET A 4 9.913 -8.938 8.848 1.00 0.00 C ATOM 0 H MET A 4 11.978 -3.943 8.097 1.00 0.00 H new ATOM 0 HA MET A 4 12.342 -6.550 9.328 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.426 -6.202 7.930 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.404 -5.596 6.609 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.605 -7.908 6.196 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.355 -7.809 6.204 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.804 -9.734 9.585 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.802 -7.971 9.339 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.146 -9.046 8.081 1.00 0.00 H new ATOM 62 N ASP A 5 14.826 -6.722 8.767 1.00 0.00 N ATOM 63 CA ASP A 5 16.270 -6.915 8.452 1.00 0.00 C ATOM 64 C ASP A 5 16.514 -8.037 7.425 1.00 0.00 C ATOM 65 O ASP A 5 17.633 -8.196 6.931 1.00 0.00 O ATOM 66 CB ASP A 5 17.063 -7.193 9.755 1.00 0.00 C ATOM 67 CG ASP A 5 16.881 -6.077 10.804 1.00 0.00 C ATOM 68 OD1 ASP A 5 17.584 -5.046 10.730 1.00 0.00 O ATOM 69 OD2 ASP A 5 16.015 -6.217 11.696 1.00 0.00 O ATOM 0 H ASP A 5 14.581 -6.985 9.722 1.00 0.00 H new ATOM 0 HA ASP A 5 16.625 -5.991 7.995 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.738 -8.143 10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 5 18.122 -7.296 9.518 1.00 0.00 H new ATOM 74 N LEU A 6 15.452 -8.799 7.109 1.00 0.00 N ATOM 75 CA LEU A 6 15.456 -9.810 6.032 1.00 0.00 C ATOM 76 C LEU A 6 15.652 -9.146 4.644 1.00 0.00 C ATOM 77 O LEU A 6 16.046 -9.831 3.698 1.00 0.00 O ATOM 78 CB LEU A 6 14.144 -10.656 6.063 1.00 0.00 C ATOM 79 CG LEU A 6 14.046 -11.788 7.151 1.00 0.00 C ATOM 80 CD1 LEU A 6 14.154 -11.241 8.594 1.00 0.00 C ATOM 81 CD2 LEU A 6 12.748 -12.618 6.963 1.00 0.00 C ATOM 0 H LEU A 6 14.559 -8.731 7.597 1.00 0.00 H new ATOM 0 HA LEU A 6 16.298 -10.481 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 6 13.306 -9.975 6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 6 14.015 -11.116 5.083 1.00 0.00 H new ATOM 0 HG LEU A 6 14.904 -12.444 7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 6 14.080 -12.066 9.302 1.00 0.00 H new ATOM 0 HD12 LEU A 6 15.113 -10.738 8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 6 13.346 -10.533 8.776 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.700 -13.395 7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.881 -11.964 7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 6 12.750 -13.078 5.975 1.00 0.00 H new ATOM 93 N ILE A 7 15.381 -7.811 4.553 1.00 0.00 N ATOM 94 CA ILE A 7 15.665 -6.981 3.343 1.00 0.00 C ATOM 95 C ILE A 7 17.134 -7.157 2.895 1.00 0.00 C ATOM 96 O ILE A 7 17.444 -7.130 1.700 1.00 0.00 O ATOM 97 CB ILE A 7 15.368 -5.434 3.592 1.00 0.00 C ATOM 98 CG1 ILE A 7 15.539 -4.582 2.281 1.00 0.00 C ATOM 99 CG2 ILE A 7 16.254 -4.854 4.732 1.00 0.00 C ATOM 100 CD1 ILE A 7 14.591 -4.937 1.148 1.00 0.00 C ATOM 0 H ILE A 7 14.960 -7.281 5.316 1.00 0.00 H new ATOM 0 HA ILE A 7 14.997 -7.331 2.556 1.00 0.00 H new ATOM 0 HB ILE A 7 14.325 -5.367 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.403 -3.530 2.531 1.00 0.00 H new ATOM 0 HG13 ILE A 7 16.563 -4.695 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 7 16.022 -3.798 4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 7 16.056 -5.394 5.658 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.306 -4.963 4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.790 -4.293 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.740 -5.978 0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.562 -4.795 1.477 1.00 0.00 H new ATOM 112 N CYS A 8 18.010 -7.334 3.893 1.00 0.00 N ATOM 113 CA CYS A 8 19.414 -7.645 3.700 1.00 0.00 C ATOM 114 C CYS A 8 19.553 -9.177 3.568 1.00 0.00 C ATOM 115 O CYS A 8 19.511 -9.905 4.568 1.00 0.00 O ATOM 116 CB CYS A 8 20.208 -7.080 4.889 1.00 0.00 C ATOM 117 SG CYS A 8 19.934 -5.312 5.167 1.00 0.00 S ATOM 0 H CYS A 8 17.746 -7.261 4.876 1.00 0.00 H new ATOM 0 HA CYS A 8 19.813 -7.191 2.793 1.00 0.00 H new ATOM 0 HB2 CYS A 8 19.935 -7.628 5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 8 21.271 -7.253 4.721 1.00 0.00 H new ATOM 0 HG CYS A 8 20.954 -4.809 5.797 1.00 0.00 H new ATOM 123 N MET A 9 19.668 -9.644 2.308 1.00 0.00 N ATOM 124 CA MET A 9 19.617 -11.077 1.950 1.00 0.00 C ATOM 125 C MET A 9 20.756 -11.903 2.609 1.00 0.00 C ATOM 126 O MET A 9 21.842 -11.383 2.902 1.00 0.00 O ATOM 127 CB MET A 9 19.661 -11.245 0.407 1.00 0.00 C ATOM 128 CG MET A 9 18.433 -10.734 -0.370 1.00 0.00 C ATOM 129 SD MET A 9 18.314 -8.934 -0.438 1.00 0.00 S ATOM 130 CE MET A 9 16.816 -8.718 -1.411 1.00 0.00 C ATOM 0 H MET A 9 19.800 -9.032 1.503 1.00 0.00 H new ATOM 0 HA MET A 9 18.676 -11.467 2.337 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.543 -10.727 0.031 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.793 -12.303 0.182 1.00 0.00 H new ATOM 0 HG2 MET A 9 18.469 -11.125 -1.387 1.00 0.00 H new ATOM 0 HG3 MET A 9 17.530 -11.132 0.093 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.446 -7.700 -1.288 1.00 0.00 H new ATOM 0 HE2 MET A 9 17.036 -8.899 -2.463 1.00 0.00 H new ATOM 0 HE3 MET A 9 16.057 -9.423 -1.072 1.00 0.00 H new ATOM 140 N TYR A 10 20.481 -13.205 2.798 1.00 0.00 N ATOM 141 CA TYR A 10 21.390 -14.160 3.466 1.00 0.00 C ATOM 142 C TYR A 10 22.549 -14.530 2.520 1.00 0.00 C ATOM 143 O TYR A 10 22.335 -15.203 1.512 1.00 0.00 O ATOM 144 CB TYR A 10 20.595 -15.436 3.884 1.00 0.00 C ATOM 145 CG TYR A 10 19.427 -15.166 4.856 1.00 0.00 C ATOM 146 CD1 TYR A 10 18.217 -14.618 4.407 1.00 0.00 C ATOM 147 CD2 TYR A 10 19.528 -15.456 6.221 1.00 0.00 C ATOM 148 CE1 TYR A 10 17.170 -14.370 5.268 1.00 0.00 C ATOM 149 CE2 TYR A 10 18.476 -15.208 7.087 1.00 0.00 C ATOM 150 CZ TYR A 10 17.304 -14.667 6.604 1.00 0.00 C ATOM 151 OH TYR A 10 16.256 -14.421 7.467 1.00 0.00 O ATOM 0 H TYR A 10 19.609 -13.633 2.487 1.00 0.00 H new ATOM 0 HA TYR A 10 21.808 -13.698 4.361 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.203 -15.915 2.987 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.283 -16.143 4.348 1.00 0.00 H new ATOM 0 HD1 TYR A 10 18.103 -14.384 3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 10 20.443 -15.881 6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 10 16.250 -13.945 4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 10 18.574 -15.438 8.138 1.00 0.00 H new ATOM 0 HH TYR A 10 16.511 -14.687 8.375 1.00 0.00 H new ATOM 161 N VAL A 11 23.763 -14.074 2.842 1.00 0.00 N ATOM 162 CA VAL A 11 24.937 -14.238 1.967 1.00 0.00 C ATOM 163 C VAL A 11 25.519 -15.663 2.091 1.00 0.00 C ATOM 164 O VAL A 11 25.755 -16.143 3.194 1.00 0.00 O ATOM 165 CB VAL A 11 26.030 -13.168 2.312 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.298 -13.310 1.428 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.435 -11.741 2.220 1.00 0.00 C ATOM 0 H VAL A 11 23.964 -13.582 3.713 1.00 0.00 H new ATOM 0 HA VAL A 11 24.617 -14.089 0.936 1.00 0.00 H new ATOM 0 HB VAL A 11 26.350 -13.346 3.339 1.00 0.00 H new ATOM 0 HG11 VAL A 11 28.023 -12.546 1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.736 -14.297 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 11 27.026 -13.187 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 11 26.206 -11.009 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 11 25.071 -11.563 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.609 -11.645 2.925 1.00 0.00 H new ATOM 177 N PHE A 12 25.693 -16.334 0.943 1.00 0.00 N ATOM 178 CA PHE A 12 26.312 -17.666 0.838 1.00 0.00 C ATOM 179 C PHE A 12 27.682 -17.558 0.144 1.00 0.00 C ATOM 180 O PHE A 12 27.800 -16.949 -0.925 1.00 0.00 O ATOM 181 CB PHE A 12 25.384 -18.649 0.052 1.00 0.00 C ATOM 182 CG PHE A 12 24.188 -19.178 0.857 1.00 0.00 C ATOM 183 CD1 PHE A 12 23.233 -18.312 1.382 1.00 0.00 C ATOM 184 CD2 PHE A 12 24.031 -20.547 1.101 1.00 0.00 C ATOM 185 CE1 PHE A 12 22.159 -18.788 2.109 1.00 0.00 C ATOM 186 CE2 PHE A 12 22.953 -21.022 1.827 1.00 0.00 C ATOM 187 CZ PHE A 12 22.022 -20.140 2.338 1.00 0.00 C ATOM 0 H PHE A 12 25.401 -15.958 0.041 1.00 0.00 H new ATOM 0 HA PHE A 12 26.453 -18.061 1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 12 25.011 -18.143 -0.838 1.00 0.00 H new ATOM 0 HB3 PHE A 12 25.979 -19.496 -0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 12 23.333 -17.249 1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 12 24.762 -21.243 0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 12 21.425 -18.099 2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 12 22.840 -22.083 1.994 1.00 0.00 H new ATOM 0 HZ PHE A 12 21.188 -20.509 2.916 1.00 0.00 H new ATOM 197 N LYS A 13 28.704 -18.156 0.776 1.00 0.00 N ATOM 198 CA LYS A 13 30.053 -18.311 0.217 1.00 0.00 C ATOM 199 C LYS A 13 30.020 -19.481 -0.795 1.00 0.00 C ATOM 200 O LYS A 13 30.268 -20.645 -0.440 1.00 0.00 O ATOM 201 CB LYS A 13 31.064 -18.575 1.378 1.00 0.00 C ATOM 202 CG LYS A 13 32.553 -18.657 0.977 1.00 0.00 C ATOM 203 CD LYS A 13 33.127 -17.312 0.467 1.00 0.00 C ATOM 204 CE LYS A 13 34.629 -17.400 0.143 1.00 0.00 C ATOM 205 NZ LYS A 13 34.919 -18.421 -0.905 1.00 0.00 N ATOM 0 H LYS A 13 28.612 -18.554 1.711 1.00 0.00 H new ATOM 0 HA LYS A 13 30.376 -17.408 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.951 -17.783 2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.788 -19.509 1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.135 -18.990 1.836 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.671 -19.412 0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 13 32.583 -17.003 -0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 13 32.965 -16.542 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 13 34.984 -16.426 -0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.181 -17.646 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 35.937 -18.422 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 34.635 -19.361 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 34.387 -18.193 -1.769 1.00 0.00 H new ATOM 219 N GLY A 14 29.626 -19.156 -2.041 1.00 0.00 N ATOM 220 CA GLY A 14 29.428 -20.154 -3.090 1.00 0.00 C ATOM 221 C GLY A 14 28.241 -21.069 -2.781 1.00 0.00 C ATOM 222 O GLY A 14 27.094 -20.692 -3.023 1.00 0.00 O ATOM 0 H GLY A 14 29.439 -18.199 -2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.263 -19.652 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 14 30.332 -20.754 -3.198 1.00 0.00 H new ATOM 226 N GLU A 15 28.523 -22.252 -2.200 1.00 0.00 N ATOM 227 CA GLU A 15 27.492 -23.241 -1.821 1.00 0.00 C ATOM 228 C GLU A 15 27.095 -23.066 -0.343 1.00 0.00 C ATOM 229 O GLU A 15 25.918 -23.151 0.017 1.00 0.00 O ATOM 230 CB GLU A 15 28.013 -24.693 -2.046 1.00 0.00 C ATOM 231 CG GLU A 15 28.581 -24.972 -3.450 1.00 0.00 C ATOM 232 CD GLU A 15 27.574 -24.720 -4.586 1.00 0.00 C ATOM 233 OE1 GLU A 15 26.737 -25.606 -4.858 1.00 0.00 O ATOM 234 OE2 GLU A 15 27.635 -23.647 -5.225 1.00 0.00 O ATOM 0 H GLU A 15 29.473 -22.550 -1.980 1.00 0.00 H new ATOM 0 HA GLU A 15 26.619 -23.073 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.788 -24.903 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.196 -25.389 -1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 15 29.458 -24.345 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.917 -26.008 -3.497 1.00 0.00 H new ATOM 241 N GLU A 16 28.107 -22.814 0.504 1.00 0.00 N ATOM 242 CA GLU A 16 27.947 -22.814 1.974 1.00 0.00 C ATOM 243 C GLU A 16 27.417 -21.452 2.443 1.00 0.00 C ATOM 244 O GLU A 16 27.660 -20.442 1.793 1.00 0.00 O ATOM 245 CB GLU A 16 29.305 -23.148 2.666 1.00 0.00 C ATOM 246 CG GLU A 16 30.395 -22.065 2.513 1.00 0.00 C ATOM 247 CD GLU A 16 31.790 -22.519 2.966 1.00 0.00 C ATOM 248 OE1 GLU A 16 32.048 -22.558 4.190 1.00 0.00 O ATOM 249 OE2 GLU A 16 32.627 -22.864 2.097 1.00 0.00 O ATOM 0 H GLU A 16 29.056 -22.605 0.194 1.00 0.00 H new ATOM 0 HA GLU A 16 27.225 -23.581 2.253 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.124 -23.314 3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 16 29.684 -24.085 2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.445 -21.758 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.104 -21.187 3.089 1.00 0.00 H new ATOM 256 N SER A 17 26.687 -21.438 3.563 1.00 0.00 N ATOM 257 CA SER A 17 26.136 -20.205 4.140 1.00 0.00 C ATOM 258 C SER A 17 27.261 -19.417 4.837 1.00 0.00 C ATOM 259 O SER A 17 27.903 -19.927 5.763 1.00 0.00 O ATOM 260 CB SER A 17 24.991 -20.547 5.119 1.00 0.00 C ATOM 261 OG SER A 17 24.270 -19.385 5.496 1.00 0.00 O ATOM 0 H SER A 17 26.461 -22.278 4.095 1.00 0.00 H new ATOM 0 HA SER A 17 25.721 -19.579 3.350 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.313 -21.263 4.653 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.401 -21.027 6.007 1.00 0.00 H new ATOM 0 HG SER A 17 23.551 -19.632 6.114 1.00 0.00 H new ATOM 267 N PHE A 18 27.508 -18.187 4.354 1.00 0.00 N ATOM 268 CA PHE A 18 28.597 -17.324 4.844 1.00 0.00 C ATOM 269 C PHE A 18 28.122 -16.489 6.046 1.00 0.00 C ATOM 270 O PHE A 18 28.784 -16.436 7.084 1.00 0.00 O ATOM 271 CB PHE A 18 29.091 -16.403 3.692 1.00 0.00 C ATOM 272 CG PHE A 18 30.361 -15.608 4.001 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.486 -16.248 4.526 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.429 -14.230 3.789 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.638 -15.543 4.812 1.00 0.00 C ATOM 276 CE2 PHE A 18 31.584 -13.528 4.077 1.00 0.00 C ATOM 277 CZ PHE A 18 32.683 -14.185 4.600 1.00 0.00 C ATOM 0 H PHE A 18 26.955 -17.762 3.610 1.00 0.00 H new ATOM 0 HA PHE A 18 29.427 -17.948 5.176 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.270 -17.015 2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.294 -15.703 3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.454 -17.312 4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.570 -13.707 3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.504 -16.058 5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 18 31.629 -12.465 3.893 1.00 0.00 H new ATOM 0 HZ PHE A 18 33.578 -13.631 4.842 1.00 0.00 H new ATOM 287 N GLY A 19 26.958 -15.854 5.876 1.00 0.00 N ATOM 288 CA GLY A 19 26.371 -14.948 6.862 1.00 0.00 C ATOM 289 C GLY A 19 25.136 -14.276 6.297 1.00 0.00 C ATOM 290 O GLY A 19 24.417 -14.869 5.487 1.00 0.00 O ATOM 0 H GLY A 19 26.390 -15.958 5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.110 -15.502 7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 19 27.102 -14.193 7.152 1.00 0.00 H new ATOM 294 N GLU A 20 24.852 -13.054 6.764 1.00 0.00 N ATOM 295 CA GLU A 20 23.796 -12.186 6.208 1.00 0.00 C ATOM 296 C GLU A 20 24.424 -10.833 5.893 1.00 0.00 C ATOM 297 O GLU A 20 25.317 -10.403 6.625 1.00 0.00 O ATOM 298 CB GLU A 20 22.616 -11.948 7.210 1.00 0.00 C ATOM 299 CG GLU A 20 21.895 -13.202 7.748 1.00 0.00 C ATOM 300 CD GLU A 20 22.713 -14.011 8.762 1.00 0.00 C ATOM 301 OE1 GLU A 20 23.201 -13.431 9.752 1.00 0.00 O ATOM 302 OE2 GLU A 20 22.873 -15.229 8.584 1.00 0.00 O ATOM 0 H GLU A 20 25.352 -12.632 7.547 1.00 0.00 H new ATOM 0 HA GLU A 20 23.388 -12.678 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 20 23.001 -11.387 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 20 21.876 -11.315 6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 20 20.958 -12.897 8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 20 21.637 -13.847 6.908 1.00 0.00 H new ATOM 309 N SER A 21 23.961 -10.155 4.835 1.00 0.00 N ATOM 310 CA SER A 21 24.322 -8.743 4.610 1.00 0.00 C ATOM 311 C SER A 21 23.615 -7.881 5.675 1.00 0.00 C ATOM 312 O SER A 21 22.668 -8.349 6.328 1.00 0.00 O ATOM 313 CB SER A 21 23.952 -8.301 3.169 1.00 0.00 C ATOM 314 OG SER A 21 22.579 -8.483 2.890 1.00 0.00 O ATOM 0 H SER A 21 23.343 -10.552 4.127 1.00 0.00 H new ATOM 0 HA SER A 21 25.400 -8.613 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 21 24.212 -7.251 3.035 1.00 0.00 H new ATOM 0 HB3 SER A 21 24.545 -8.870 2.453 1.00 0.00 H new ATOM 0 HG SER A 21 22.380 -9.441 2.836 1.00 0.00 H new ATOM 320 N ILE A 22 24.072 -6.644 5.871 1.00 0.00 N ATOM 321 CA ILE A 22 23.510 -5.744 6.897 1.00 0.00 C ATOM 322 C ILE A 22 23.417 -4.326 6.306 1.00 0.00 C ATOM 323 O ILE A 22 22.425 -3.615 6.517 1.00 0.00 O ATOM 324 CB ILE A 22 24.368 -5.807 8.239 1.00 0.00 C ATOM 325 CG1 ILE A 22 23.631 -5.181 9.485 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.777 -5.206 8.052 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.570 -3.654 9.568 1.00 0.00 C ATOM 0 H ILE A 22 24.835 -6.234 5.332 1.00 0.00 H new ATOM 0 HA ILE A 22 22.505 -6.062 7.175 1.00 0.00 H new ATOM 0 HB ILE A 22 24.487 -6.867 8.461 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.609 -5.561 9.499 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.120 -5.549 10.387 1.00 0.00 H new ATOM 0 HG21 ILE A 22 26.327 -5.269 8.991 1.00 0.00 H new ATOM 0 HG22 ILE A 22 26.310 -5.762 7.281 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.690 -4.162 7.752 1.00 0.00 H new ATOM 0 HD11 ILE A 22 23.037 -3.360 10.472 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.582 -3.250 9.596 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.048 -3.263 8.695 1.00 0.00 H new ATOM 339 N ASP A 23 24.447 -3.943 5.532 1.00 0.00 N ATOM 340 CA ASP A 23 24.517 -2.619 4.894 1.00 0.00 C ATOM 341 C ASP A 23 25.372 -2.704 3.626 1.00 0.00 C ATOM 342 O ASP A 23 25.939 -3.758 3.322 1.00 0.00 O ATOM 343 CB ASP A 23 25.057 -1.554 5.905 1.00 0.00 C ATOM 344 CG ASP A 23 24.981 -0.102 5.394 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.857 0.401 5.172 1.00 0.00 O ATOM 346 OD2 ASP A 23 26.036 0.532 5.179 1.00 0.00 O ATOM 0 H ASP A 23 25.250 -4.540 5.332 1.00 0.00 H new ATOM 0 HA ASP A 23 23.518 -2.298 4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.491 -1.631 6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 23 26.094 -1.789 6.144 1.00 0.00 H new ATOM 351 N VAL A 24 25.386 -1.618 2.855 1.00 0.00 N ATOM 352 CA VAL A 24 26.260 -1.451 1.694 1.00 0.00 C ATOM 353 C VAL A 24 26.530 0.053 1.509 1.00 0.00 C ATOM 354 O VAL A 24 25.610 0.872 1.625 1.00 0.00 O ATOM 355 CB VAL A 24 25.643 -2.105 0.391 1.00 0.00 C ATOM 356 CG1 VAL A 24 24.169 -1.699 0.203 1.00 0.00 C ATOM 357 CG2 VAL A 24 26.490 -1.787 -0.874 1.00 0.00 C ATOM 0 H VAL A 24 24.780 -0.815 3.022 1.00 0.00 H new ATOM 0 HA VAL A 24 27.201 -1.973 1.867 1.00 0.00 H new ATOM 0 HB VAL A 24 25.671 -3.186 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.776 -2.165 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.588 -2.029 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 24 24.099 -0.615 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 24 26.032 -2.254 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.533 -0.708 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 24 27.500 -2.176 -0.743 1.00 0.00 H new ATOM 367 N TYR A 25 27.804 0.410 1.291 1.00 0.00 N ATOM 368 CA TYR A 25 28.216 1.778 0.939 1.00 0.00 C ATOM 369 C TYR A 25 29.244 1.704 -0.202 1.00 0.00 C ATOM 370 O TYR A 25 30.160 0.865 -0.163 1.00 0.00 O ATOM 371 CB TYR A 25 28.771 2.554 2.176 1.00 0.00 C ATOM 372 CG TYR A 25 30.092 2.034 2.784 1.00 0.00 C ATOM 373 CD1 TYR A 25 31.335 2.498 2.333 1.00 0.00 C ATOM 374 CD2 TYR A 25 30.103 1.095 3.813 1.00 0.00 C ATOM 375 CE1 TYR A 25 32.517 2.046 2.880 1.00 0.00 C ATOM 376 CE2 TYR A 25 31.287 0.647 4.360 1.00 0.00 C ATOM 377 CZ TYR A 25 32.491 1.119 3.893 1.00 0.00 C ATOM 378 OH TYR A 25 33.674 0.665 4.446 1.00 0.00 O ATOM 0 H TYR A 25 28.583 -0.246 1.354 1.00 0.00 H new ATOM 0 HA TYR A 25 27.346 2.341 0.601 1.00 0.00 H new ATOM 0 HB2 TYR A 25 28.915 3.595 1.888 1.00 0.00 H new ATOM 0 HB3 TYR A 25 28.009 2.542 2.956 1.00 0.00 H new ATOM 0 HD1 TYR A 25 31.368 3.228 1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 25 29.167 0.711 4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 25 33.461 2.420 2.513 1.00 0.00 H new ATOM 0 HE2 TYR A 25 31.268 -0.079 5.160 1.00 0.00 H new ATOM 0 HH TYR A 25 33.477 0.014 5.151 1.00 0.00 H new ATOM 388 N GLY A 26 29.068 2.572 -1.208 1.00 0.00 N ATOM 389 CA GLY A 26 29.948 2.625 -2.369 1.00 0.00 C ATOM 390 C GLY A 26 29.970 1.313 -3.153 1.00 0.00 C ATOM 391 O GLY A 26 28.988 0.949 -3.800 1.00 0.00 O ATOM 0 H GLY A 26 28.310 3.254 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 26 29.626 3.432 -3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 26 30.960 2.865 -2.042 1.00 0.00 H new ATOM 395 N ASP A 27 31.086 0.577 -3.040 1.00 0.00 N ATOM 396 CA ASP A 27 31.320 -0.683 -3.783 1.00 0.00 C ATOM 397 C ASP A 27 31.435 -1.879 -2.819 1.00 0.00 C ATOM 398 O ASP A 27 31.835 -2.970 -3.228 1.00 0.00 O ATOM 399 CB ASP A 27 32.621 -0.568 -4.634 1.00 0.00 C ATOM 400 CG ASP A 27 32.584 0.590 -5.645 1.00 0.00 C ATOM 401 OD1 ASP A 27 32.109 0.391 -6.784 1.00 0.00 O ATOM 402 OD2 ASP A 27 33.025 1.712 -5.303 1.00 0.00 O ATOM 0 H ASP A 27 31.860 0.836 -2.428 1.00 0.00 H new ATOM 0 HA ASP A 27 30.468 -0.851 -4.442 1.00 0.00 H new ATOM 0 HB2 ASP A 27 33.473 -0.432 -3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.781 -1.504 -5.169 1.00 0.00 H new ATOM 407 N TYR A 28 31.054 -1.680 -1.542 1.00 0.00 N ATOM 408 CA TYR A 28 31.251 -2.682 -0.473 1.00 0.00 C ATOM 409 C TYR A 28 29.923 -3.050 0.202 1.00 0.00 C ATOM 410 O TYR A 28 29.335 -2.232 0.921 1.00 0.00 O ATOM 411 CB TYR A 28 32.249 -2.143 0.586 1.00 0.00 C ATOM 412 CG TYR A 28 33.665 -1.920 0.041 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.526 -3.002 -0.184 1.00 0.00 C ATOM 414 CD2 TYR A 28 34.132 -0.640 -0.252 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.802 -2.803 -0.669 1.00 0.00 C ATOM 416 CE2 TYR A 28 35.406 -0.442 -0.734 1.00 0.00 C ATOM 417 CZ TYR A 28 36.236 -1.522 -0.941 1.00 0.00 C ATOM 418 OH TYR A 28 37.514 -1.314 -1.412 1.00 0.00 O ATOM 0 H TYR A 28 30.602 -0.823 -1.222 1.00 0.00 H new ATOM 0 HA TYR A 28 31.659 -3.583 -0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.870 -1.202 0.984 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.296 -2.845 1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 28 34.186 -4.006 0.025 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.484 0.210 -0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.457 -3.645 -0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 28 35.754 0.557 -0.949 1.00 0.00 H new ATOM 0 HH TYR A 28 37.659 -0.355 -1.553 1.00 0.00 H new ATOM 428 N LEU A 29 29.455 -4.282 -0.055 1.00 0.00 N ATOM 429 CA LEU A 29 28.334 -4.894 0.666 1.00 0.00 C ATOM 430 C LEU A 29 28.852 -5.450 2.010 1.00 0.00 C ATOM 431 O LEU A 29 29.580 -6.452 2.040 1.00 0.00 O ATOM 432 CB LEU A 29 27.693 -6.029 -0.185 1.00 0.00 C ATOM 433 CG LEU A 29 26.453 -6.735 0.457 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.235 -5.786 0.538 1.00 0.00 C ATOM 435 CD2 LEU A 29 26.102 -8.045 -0.288 1.00 0.00 C ATOM 0 H LEU A 29 29.850 -4.885 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 29 27.566 -4.144 0.853 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.394 -5.613 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.454 -6.783 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 29 26.723 -7.001 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.394 -6.312 0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.490 -4.918 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.962 -5.458 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 29 25.236 -8.511 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.872 -7.821 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.951 -8.728 -0.243 1.00 0.00 H new ATOM 447 N ILE A 30 28.500 -4.762 3.102 1.00 0.00 N ATOM 448 CA ILE A 30 28.865 -5.159 4.468 1.00 0.00 C ATOM 449 C ILE A 30 28.072 -6.406 4.883 1.00 0.00 C ATOM 450 O ILE A 30 26.846 -6.334 5.092 1.00 0.00 O ATOM 451 CB ILE A 30 28.591 -3.999 5.495 1.00 0.00 C ATOM 452 CG1 ILE A 30 29.250 -2.674 5.015 1.00 0.00 C ATOM 453 CG2 ILE A 30 29.084 -4.382 6.917 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.763 -2.715 4.982 1.00 0.00 C ATOM 0 H ILE A 30 27.948 -3.905 3.063 1.00 0.00 H new ATOM 0 HA ILE A 30 29.932 -5.381 4.476 1.00 0.00 H new ATOM 0 HB ILE A 30 27.514 -3.843 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.881 -2.438 4.017 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.933 -1.864 5.672 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.882 -3.562 7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 30 28.561 -5.277 7.255 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.156 -4.577 6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 30 31.146 -1.754 4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 30 31.143 -2.919 5.983 1.00 0.00 H new ATOM 0 HD13 ILE A 30 31.091 -3.501 4.302 1.00 0.00 H new ATOM 466 N VAL A 31 28.788 -7.538 4.969 1.00 0.00 N ATOM 467 CA VAL A 31 28.233 -8.829 5.369 1.00 0.00 C ATOM 468 C VAL A 31 28.621 -9.127 6.823 1.00 0.00 C ATOM 469 O VAL A 31 29.812 -9.207 7.159 1.00 0.00 O ATOM 470 CB VAL A 31 28.740 -9.984 4.428 1.00 0.00 C ATOM 471 CG1 VAL A 31 28.166 -11.364 4.842 1.00 0.00 C ATOM 472 CG2 VAL A 31 28.430 -9.651 2.949 1.00 0.00 C ATOM 0 H VAL A 31 29.785 -7.576 4.758 1.00 0.00 H new ATOM 0 HA VAL A 31 27.148 -8.778 5.283 1.00 0.00 H new ATOM 0 HB VAL A 31 29.822 -10.056 4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.542 -12.132 4.166 1.00 0.00 H new ATOM 0 HG12 VAL A 31 28.475 -11.595 5.861 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.078 -11.336 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.787 -10.460 2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.354 -9.535 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.930 -8.723 2.672 1.00 0.00 H new ATOM 482 N LYS A 32 27.602 -9.275 7.671 1.00 0.00 N ATOM 483 CA LYS A 32 27.754 -9.712 9.060 1.00 0.00 C ATOM 484 C LYS A 32 28.022 -11.225 9.047 1.00 0.00 C ATOM 485 O LYS A 32 27.194 -11.999 8.557 1.00 0.00 O ATOM 486 CB LYS A 32 26.453 -9.373 9.867 1.00 0.00 C ATOM 487 CG LYS A 32 26.528 -9.461 11.427 1.00 0.00 C ATOM 488 CD LYS A 32 26.783 -10.880 11.995 1.00 0.00 C ATOM 489 CE LYS A 32 26.446 -10.999 13.492 1.00 0.00 C ATOM 490 NZ LYS A 32 24.991 -10.822 13.744 1.00 0.00 N ATOM 0 H LYS A 32 26.634 -9.092 7.408 1.00 0.00 H new ATOM 0 HA LYS A 32 28.584 -9.198 9.544 1.00 0.00 H new ATOM 0 HB2 LYS A 32 26.146 -8.361 9.601 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.663 -10.044 9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.322 -8.800 11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 32 25.593 -9.083 11.842 1.00 0.00 H new ATOM 0 HD2 LYS A 32 26.187 -11.601 11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 32 27.829 -11.144 11.842 1.00 0.00 H new ATOM 0 HE2 LYS A 32 26.763 -11.975 13.860 1.00 0.00 H new ATOM 0 HE3 LYS A 32 27.006 -10.250 14.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.753 -11.201 14.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 24.753 -9.810 13.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.448 -11.331 13.017 1.00 0.00 H new ATOM 504 N VAL A 33 29.191 -11.624 9.561 1.00 0.00 N ATOM 505 CA VAL A 33 29.546 -13.032 9.781 1.00 0.00 C ATOM 506 C VAL A 33 29.979 -13.216 11.245 1.00 0.00 C ATOM 507 O VAL A 33 30.850 -12.491 11.732 1.00 0.00 O ATOM 508 CB VAL A 33 30.667 -13.526 8.779 1.00 0.00 C ATOM 509 CG1 VAL A 33 30.148 -13.488 7.327 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.977 -12.705 8.904 1.00 0.00 C ATOM 0 H VAL A 33 29.925 -10.973 9.839 1.00 0.00 H new ATOM 0 HA VAL A 33 28.670 -13.649 9.583 1.00 0.00 H new ATOM 0 HB VAL A 33 30.905 -14.555 9.049 1.00 0.00 H new ATOM 0 HG11 VAL A 33 30.932 -13.831 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 33 29.279 -14.139 7.234 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.866 -12.467 7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.713 -13.084 8.195 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.771 -11.657 8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 33 32.368 -12.796 9.917 1.00 0.00 H new ATOM 520 N GLY A 34 29.307 -14.141 11.948 1.00 0.00 N ATOM 521 CA GLY A 34 29.656 -14.518 13.321 1.00 0.00 C ATOM 522 C GLY A 34 29.576 -13.371 14.329 1.00 0.00 C ATOM 523 O GLY A 34 28.521 -13.126 14.918 1.00 0.00 O ATOM 0 H GLY A 34 28.504 -14.648 11.576 1.00 0.00 H new ATOM 0 HA2 GLY A 34 28.991 -15.318 13.646 1.00 0.00 H new ATOM 0 HA3 GLY A 34 30.668 -14.922 13.328 1.00 0.00 H new ATOM 527 N THR A 35 30.706 -12.660 14.506 1.00 0.00 N ATOM 528 CA THR A 35 30.841 -11.538 15.460 1.00 0.00 C ATOM 529 C THR A 35 31.300 -10.242 14.750 1.00 0.00 C ATOM 530 O THR A 35 31.078 -9.130 15.257 1.00 0.00 O ATOM 531 CB THR A 35 31.862 -11.911 16.587 1.00 0.00 C ATOM 532 OG1 THR A 35 33.108 -12.332 15.993 1.00 0.00 O ATOM 533 CG2 THR A 35 31.331 -13.029 17.507 1.00 0.00 C ATOM 0 H THR A 35 31.562 -12.849 13.985 1.00 0.00 H new ATOM 0 HA THR A 35 29.860 -11.356 15.899 1.00 0.00 H new ATOM 0 HB THR A 35 32.014 -11.021 17.198 1.00 0.00 H new ATOM 0 HG1 THR A 35 33.746 -12.563 16.700 1.00 0.00 H new ATOM 0 HG21 THR A 35 32.074 -13.253 18.273 1.00 0.00 H new ATOM 0 HG22 THR A 35 30.407 -12.701 17.983 1.00 0.00 H new ATOM 0 HG23 THR A 35 31.137 -13.924 16.917 1.00 0.00 H new ATOM 541 N GLU A 36 31.924 -10.391 13.569 1.00 0.00 N ATOM 542 CA GLU A 36 32.533 -9.271 12.816 1.00 0.00 C ATOM 543 C GLU A 36 31.745 -8.957 11.530 1.00 0.00 C ATOM 544 O GLU A 36 30.810 -9.676 11.152 1.00 0.00 O ATOM 545 CB GLU A 36 34.011 -9.609 12.473 1.00 0.00 C ATOM 546 CG GLU A 36 34.961 -9.671 13.690 1.00 0.00 C ATOM 547 CD GLU A 36 36.399 -10.074 13.315 1.00 0.00 C ATOM 548 OE1 GLU A 36 36.959 -9.505 12.349 1.00 0.00 O ATOM 549 OE2 GLU A 36 36.976 -10.960 13.982 1.00 0.00 O ATOM 0 H GLU A 36 32.023 -11.294 13.104 1.00 0.00 H new ATOM 0 HA GLU A 36 32.501 -8.383 13.447 1.00 0.00 H new ATOM 0 HB2 GLU A 36 34.039 -10.570 11.959 1.00 0.00 H new ATOM 0 HB3 GLU A 36 34.387 -8.862 11.774 1.00 0.00 H new ATOM 0 HG2 GLU A 36 34.979 -8.697 14.179 1.00 0.00 H new ATOM 0 HG3 GLU A 36 34.568 -10.384 14.414 1.00 0.00 H new ATOM 556 N PHE A 37 32.130 -7.843 10.884 1.00 0.00 N ATOM 557 CA PHE A 37 31.532 -7.366 9.629 1.00 0.00 C ATOM 558 C PHE A 37 32.623 -7.305 8.548 1.00 0.00 C ATOM 559 O PHE A 37 33.542 -6.480 8.625 1.00 0.00 O ATOM 560 CB PHE A 37 30.900 -5.966 9.843 1.00 0.00 C ATOM 561 CG PHE A 37 29.755 -5.945 10.860 1.00 0.00 C ATOM 562 CD1 PHE A 37 30.006 -5.801 12.228 1.00 0.00 C ATOM 563 CD2 PHE A 37 28.432 -6.078 10.451 1.00 0.00 C ATOM 564 CE1 PHE A 37 28.969 -5.779 13.143 1.00 0.00 C ATOM 565 CE2 PHE A 37 27.397 -6.053 11.368 1.00 0.00 C ATOM 566 CZ PHE A 37 27.667 -5.909 12.712 1.00 0.00 C ATOM 0 H PHE A 37 32.878 -7.240 11.226 1.00 0.00 H new ATOM 0 HA PHE A 37 30.746 -8.051 9.309 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.676 -5.275 10.172 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.529 -5.597 8.887 1.00 0.00 H new ATOM 0 HD1 PHE A 37 31.024 -5.706 12.575 1.00 0.00 H new ATOM 0 HD2 PHE A 37 28.210 -6.203 9.401 1.00 0.00 H new ATOM 0 HE1 PHE A 37 29.180 -5.660 14.195 1.00 0.00 H new ATOM 0 HE2 PHE A 37 26.375 -6.146 11.030 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.858 -5.898 13.427 1.00 0.00 H new ATOM 576 N LEU A 38 32.522 -8.216 7.566 1.00 0.00 N ATOM 577 CA LEU A 38 33.460 -8.328 6.436 1.00 0.00 C ATOM 578 C LEU A 38 32.762 -7.804 5.174 1.00 0.00 C ATOM 579 O LEU A 38 31.754 -8.369 4.728 1.00 0.00 O ATOM 580 CB LEU A 38 33.922 -9.813 6.239 1.00 0.00 C ATOM 581 CG LEU A 38 35.058 -10.325 7.193 1.00 0.00 C ATOM 582 CD1 LEU A 38 34.682 -10.206 8.687 1.00 0.00 C ATOM 583 CD2 LEU A 38 35.466 -11.775 6.834 1.00 0.00 C ATOM 0 H LEU A 38 31.773 -8.908 7.534 1.00 0.00 H new ATOM 0 HA LEU A 38 34.352 -7.735 6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 38 33.054 -10.460 6.364 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.262 -9.931 5.210 1.00 0.00 H new ATOM 0 HG LEU A 38 35.918 -9.674 7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 38 35.505 -10.575 9.300 1.00 0.00 H new ATOM 0 HD12 LEU A 38 34.487 -9.162 8.931 1.00 0.00 H new ATOM 0 HD13 LEU A 38 33.788 -10.798 8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 38 36.255 -12.109 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.602 -12.431 6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 38 35.829 -11.807 5.807 1.00 0.00 H new ATOM 595 N ALA A 39 33.295 -6.701 4.634 1.00 0.00 N ATOM 596 CA ALA A 39 32.756 -6.039 3.445 1.00 0.00 C ATOM 597 C ALA A 39 33.196 -6.760 2.168 1.00 0.00 C ATOM 598 O ALA A 39 34.360 -6.645 1.757 1.00 0.00 O ATOM 599 CB ALA A 39 33.221 -4.584 3.408 1.00 0.00 C ATOM 0 H ALA A 39 34.121 -6.240 5.016 1.00 0.00 H new ATOM 0 HA ALA A 39 31.668 -6.072 3.497 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.817 -4.095 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.868 -4.066 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 39 34.310 -4.551 3.376 1.00 0.00 H new ATOM 605 N VAL A 40 32.279 -7.524 1.566 1.00 0.00 N ATOM 606 CA VAL A 40 32.509 -8.130 0.252 1.00 0.00 C ATOM 607 C VAL A 40 32.307 -7.043 -0.839 1.00 0.00 C ATOM 608 O VAL A 40 31.339 -6.270 -0.764 1.00 0.00 O ATOM 609 CB VAL A 40 31.571 -9.384 -0.002 1.00 0.00 C ATOM 610 CG1 VAL A 40 31.711 -10.408 1.146 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.083 -8.998 -0.208 1.00 0.00 C ATOM 0 H VAL A 40 31.367 -7.738 1.970 1.00 0.00 H new ATOM 0 HA VAL A 40 33.531 -8.506 0.212 1.00 0.00 H new ATOM 0 HB VAL A 40 31.907 -9.839 -0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.060 -11.261 0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.745 -10.747 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.427 -9.939 2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.493 -9.899 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.714 -8.484 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 40 29.994 -8.339 -1.072 1.00 0.00 H new ATOM 621 N PRO A 41 33.241 -6.906 -1.832 1.00 0.00 N ATOM 622 CA PRO A 41 33.028 -5.999 -2.979 1.00 0.00 C ATOM 623 C PRO A 41 31.848 -6.497 -3.844 1.00 0.00 C ATOM 624 O PRO A 41 31.578 -7.700 -3.884 1.00 0.00 O ATOM 625 CB PRO A 41 34.384 -6.036 -3.734 1.00 0.00 C ATOM 626 CG PRO A 41 35.018 -7.334 -3.325 1.00 0.00 C ATOM 627 CD PRO A 41 34.559 -7.591 -1.901 1.00 0.00 C ATOM 0 HA PRO A 41 32.759 -4.982 -2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.237 -5.991 -4.813 1.00 0.00 H new ATOM 0 HB3 PRO A 41 35.011 -5.187 -3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 41 34.711 -8.144 -3.986 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.105 -7.272 -3.380 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.468 -8.657 -1.695 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.261 -7.184 -1.173 1.00 0.00 H new ATOM 635 N LYS A 42 31.139 -5.568 -4.504 1.00 0.00 N ATOM 636 CA LYS A 42 29.937 -5.890 -5.318 1.00 0.00 C ATOM 637 C LYS A 42 30.284 -6.850 -6.484 1.00 0.00 C ATOM 638 O LYS A 42 29.455 -7.671 -6.889 1.00 0.00 O ATOM 639 CB LYS A 42 29.282 -4.583 -5.846 1.00 0.00 C ATOM 640 CG LYS A 42 28.797 -3.610 -4.737 1.00 0.00 C ATOM 641 CD LYS A 42 27.608 -4.153 -3.904 1.00 0.00 C ATOM 642 CE LYS A 42 26.319 -4.309 -4.738 1.00 0.00 C ATOM 643 NZ LYS A 42 25.146 -4.638 -3.893 1.00 0.00 N ATOM 0 H LYS A 42 31.374 -4.575 -4.494 1.00 0.00 H new ATOM 0 HA LYS A 42 29.220 -6.404 -4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.000 -4.062 -6.479 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.433 -4.847 -6.477 1.00 0.00 H new ATOM 0 HG2 LYS A 42 29.629 -3.394 -4.067 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.505 -2.666 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 42 27.879 -5.119 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.416 -3.479 -3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.126 -3.385 -5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 42 26.461 -5.093 -5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 24.302 -4.734 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 25.319 -5.533 -3.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 24.993 -3.878 -3.200 1.00 0.00 H new ATOM 657 N LYS A 43 31.533 -6.747 -6.973 1.00 0.00 N ATOM 658 CA LYS A 43 32.076 -7.608 -8.048 1.00 0.00 C ATOM 659 C LYS A 43 32.270 -9.069 -7.575 1.00 0.00 C ATOM 660 O LYS A 43 32.298 -9.984 -8.403 1.00 0.00 O ATOM 661 CB LYS A 43 33.422 -7.026 -8.562 1.00 0.00 C ATOM 662 CG LYS A 43 34.519 -6.916 -7.477 1.00 0.00 C ATOM 663 CD LYS A 43 35.785 -6.195 -7.978 1.00 0.00 C ATOM 664 CE LYS A 43 36.823 -5.991 -6.863 1.00 0.00 C ATOM 665 NZ LYS A 43 37.993 -5.216 -7.332 1.00 0.00 N ATOM 0 H LYS A 43 32.203 -6.058 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 43 31.351 -7.622 -8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 43 33.790 -7.654 -9.373 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.241 -6.036 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 43 34.119 -6.381 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 43 34.787 -7.916 -7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 43 36.233 -6.773 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 43 35.508 -5.226 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 43 36.358 -5.473 -6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 43 37.155 -6.962 -6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.669 -5.101 -6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 38.453 -5.722 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 37.680 -4.280 -7.660 1.00 0.00 H new ATOM 679 N SER A 44 32.405 -9.276 -6.242 1.00 0.00 N ATOM 680 CA SER A 44 32.542 -10.626 -5.651 1.00 0.00 C ATOM 681 C SER A 44 31.226 -11.415 -5.784 1.00 0.00 C ATOM 682 O SER A 44 31.253 -12.642 -5.901 1.00 0.00 O ATOM 683 CB SER A 44 32.978 -10.551 -4.163 1.00 0.00 C ATOM 684 OG SER A 44 33.178 -11.847 -3.605 1.00 0.00 O ATOM 0 H SER A 44 32.422 -8.521 -5.556 1.00 0.00 H new ATOM 0 HA SER A 44 33.321 -11.150 -6.204 1.00 0.00 H new ATOM 0 HB2 SER A 44 33.899 -9.974 -4.083 1.00 0.00 H new ATOM 0 HB3 SER A 44 32.219 -10.021 -3.588 1.00 0.00 H new ATOM 0 HG SER A 44 34.128 -12.083 -3.658 1.00 0.00 H new ATOM 690 N ILE A 45 30.082 -10.690 -5.789 1.00 0.00 N ATOM 691 CA ILE A 45 28.749 -11.308 -5.904 1.00 0.00 C ATOM 692 C ILE A 45 28.631 -12.001 -7.283 1.00 0.00 C ATOM 693 O ILE A 45 28.678 -11.343 -8.330 1.00 0.00 O ATOM 694 CB ILE A 45 27.563 -10.258 -5.692 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.459 -9.764 -4.203 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.192 -10.844 -6.135 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.615 -8.947 -3.669 1.00 0.00 C ATOM 0 H ILE A 45 30.061 -9.673 -5.714 1.00 0.00 H new ATOM 0 HA ILE A 45 28.648 -12.045 -5.107 1.00 0.00 H new ATOM 0 HB ILE A 45 27.807 -9.402 -6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.550 -9.170 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.338 -10.638 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.410 -10.101 -5.976 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.233 -11.107 -7.192 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.970 -11.735 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.417 -8.671 -2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.531 -9.536 -3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 45 28.731 -8.045 -4.270 1.00 0.00 H new ATOM 709 N LYS A 46 28.513 -13.337 -7.246 1.00 0.00 N ATOM 710 CA LYS A 46 28.320 -14.186 -8.429 1.00 0.00 C ATOM 711 C LYS A 46 26.899 -13.998 -8.985 1.00 0.00 C ATOM 712 O LYS A 46 26.716 -13.810 -10.192 1.00 0.00 O ATOM 713 CB LYS A 46 28.561 -15.675 -8.055 1.00 0.00 C ATOM 714 CG LYS A 46 30.014 -16.017 -7.649 1.00 0.00 C ATOM 715 CD LYS A 46 31.029 -15.794 -8.801 1.00 0.00 C ATOM 716 CE LYS A 46 32.450 -16.268 -8.441 1.00 0.00 C ATOM 717 NZ LYS A 46 33.417 -16.080 -9.554 1.00 0.00 N ATOM 0 H LYS A 46 28.550 -13.867 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 46 29.036 -13.896 -9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 46 27.897 -15.940 -7.232 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.280 -16.298 -8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.301 -15.405 -6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.061 -17.057 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.687 -16.326 -9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.057 -14.734 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 46 32.800 -15.722 -7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.418 -17.323 -8.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 34.356 -16.415 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 33.101 -16.622 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 33.471 -15.071 -9.800 1.00 0.00 H new ATOM 731 N SER A 47 25.910 -14.018 -8.070 1.00 0.00 N ATOM 732 CA SER A 47 24.486 -13.906 -8.417 1.00 0.00 C ATOM 733 C SER A 47 23.663 -13.397 -7.214 1.00 0.00 C ATOM 734 O SER A 47 24.072 -13.543 -6.051 1.00 0.00 O ATOM 735 CB SER A 47 23.970 -15.279 -8.910 1.00 0.00 C ATOM 736 OG SER A 47 24.240 -16.302 -7.963 1.00 0.00 O ATOM 0 H SER A 47 26.080 -14.113 -7.069 1.00 0.00 H new ATOM 0 HA SER A 47 24.368 -13.177 -9.219 1.00 0.00 H new ATOM 0 HB2 SER A 47 22.897 -15.223 -9.092 1.00 0.00 H new ATOM 0 HB3 SER A 47 24.442 -15.527 -9.861 1.00 0.00 H new ATOM 0 HG SER A 47 23.901 -17.158 -8.300 1.00 0.00 H new ATOM 742 N VAL A 48 22.510 -12.773 -7.516 1.00 0.00 N ATOM 743 CA VAL A 48 21.585 -12.216 -6.507 1.00 0.00 C ATOM 744 C VAL A 48 20.254 -13.010 -6.506 1.00 0.00 C ATOM 745 O VAL A 48 19.506 -13.023 -7.492 1.00 0.00 O ATOM 746 CB VAL A 48 21.331 -10.665 -6.737 1.00 0.00 C ATOM 747 CG1 VAL A 48 20.880 -10.353 -8.194 1.00 0.00 C ATOM 748 CG2 VAL A 48 20.324 -10.092 -5.694 1.00 0.00 C ATOM 0 H VAL A 48 22.190 -12.639 -8.475 1.00 0.00 H new ATOM 0 HA VAL A 48 22.051 -12.319 -5.527 1.00 0.00 H new ATOM 0 HB VAL A 48 22.286 -10.162 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 48 20.718 -9.281 -8.303 1.00 0.00 H new ATOM 0 HG12 VAL A 48 21.653 -10.676 -8.891 1.00 0.00 H new ATOM 0 HG13 VAL A 48 19.952 -10.883 -8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 48 20.173 -9.029 -5.880 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.372 -10.615 -5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 48 20.722 -10.231 -4.689 1.00 0.00 H new ATOM 758 N GLU A 49 19.992 -13.702 -5.392 1.00 0.00 N ATOM 759 CA GLU A 49 18.759 -14.485 -5.184 1.00 0.00 C ATOM 760 C GLU A 49 17.757 -13.642 -4.362 1.00 0.00 C ATOM 761 O GLU A 49 18.156 -12.662 -3.708 1.00 0.00 O ATOM 762 CB GLU A 49 19.100 -15.810 -4.454 1.00 0.00 C ATOM 763 CG GLU A 49 20.324 -16.576 -5.018 1.00 0.00 C ATOM 764 CD GLU A 49 20.120 -17.123 -6.443 1.00 0.00 C ATOM 765 OE1 GLU A 49 19.576 -18.244 -6.588 1.00 0.00 O ATOM 766 OE2 GLU A 49 20.504 -16.442 -7.425 1.00 0.00 O ATOM 0 H GLU A 49 20.633 -13.738 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 49 18.305 -14.732 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.282 -15.591 -3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.230 -16.465 -4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.188 -15.911 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.558 -17.406 -4.352 1.00 0.00 H new ATOM 773 N ASP A 50 16.474 -14.055 -4.369 1.00 0.00 N ATOM 774 CA ASP A 50 15.350 -13.268 -3.794 1.00 0.00 C ATOM 775 C ASP A 50 15.563 -13.004 -2.288 1.00 0.00 C ATOM 776 O ASP A 50 15.206 -11.936 -1.770 1.00 0.00 O ATOM 777 CB ASP A 50 13.998 -14.003 -4.005 1.00 0.00 C ATOM 778 CG ASP A 50 13.789 -14.504 -5.440 1.00 0.00 C ATOM 779 OD1 ASP A 50 13.258 -13.753 -6.288 1.00 0.00 O ATOM 780 OD2 ASP A 50 14.165 -15.659 -5.724 1.00 0.00 O ATOM 0 H ASP A 50 16.181 -14.945 -4.773 1.00 0.00 H new ATOM 0 HA ASP A 50 15.323 -12.311 -4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.944 -14.851 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.183 -13.329 -3.742 1.00 0.00 H new ATOM 785 N GLY A 51 16.160 -14.001 -1.613 1.00 0.00 N ATOM 786 CA GLY A 51 16.473 -13.935 -0.186 1.00 0.00 C ATOM 787 C GLY A 51 17.892 -14.390 0.120 1.00 0.00 C ATOM 788 O GLY A 51 18.199 -14.714 1.265 1.00 0.00 O ATOM 0 H GLY A 51 16.439 -14.879 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.339 -12.912 0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.768 -14.556 0.367 1.00 0.00 H new ATOM 792 N ARG A 52 18.780 -14.399 -0.903 1.00 0.00 N ATOM 793 CA ARG A 52 20.195 -14.839 -0.749 1.00 0.00 C ATOM 794 C ARG A 52 21.132 -13.987 -1.624 1.00 0.00 C ATOM 795 O ARG A 52 20.703 -13.392 -2.612 1.00 0.00 O ATOM 796 CB ARG A 52 20.361 -16.345 -1.110 1.00 0.00 C ATOM 797 CG ARG A 52 19.679 -17.344 -0.148 1.00 0.00 C ATOM 798 CD ARG A 52 19.518 -18.735 -0.777 1.00 0.00 C ATOM 799 NE ARG A 52 18.617 -18.678 -1.951 1.00 0.00 N ATOM 800 CZ ARG A 52 18.798 -19.281 -3.133 1.00 0.00 C ATOM 801 NH1 ARG A 52 19.876 -20.005 -3.372 1.00 0.00 N ATOM 802 NH2 ARG A 52 17.896 -19.116 -4.090 1.00 0.00 N ATOM 0 H ARG A 52 18.543 -14.105 -1.851 1.00 0.00 H new ATOM 0 HA ARG A 52 20.467 -14.702 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 52 19.964 -16.505 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.426 -16.575 -1.149 1.00 0.00 H new ATOM 0 HG2 ARG A 52 20.268 -17.426 0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.699 -16.960 0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 52 20.493 -19.118 -1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 52 19.117 -19.429 -0.038 1.00 0.00 H new ATOM 0 HE ARG A 52 17.769 -18.121 -1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.588 -20.113 -2.650 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.996 -20.457 -4.279 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.075 -18.535 -3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.023 -19.570 -4.994 1.00 0.00 H new ATOM 816 N ILE A 53 22.419 -13.923 -1.232 1.00 0.00 N ATOM 817 CA ILE A 53 23.486 -13.267 -2.011 1.00 0.00 C ATOM 818 C ILE A 53 24.627 -14.272 -2.206 1.00 0.00 C ATOM 819 O ILE A 53 25.377 -14.549 -1.266 1.00 0.00 O ATOM 820 CB ILE A 53 24.033 -11.963 -1.290 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.940 -10.854 -1.169 1.00 0.00 C ATOM 822 CG2 ILE A 53 25.297 -11.403 -1.984 1.00 0.00 C ATOM 823 CD1 ILE A 53 22.408 -10.326 -2.499 1.00 0.00 C ATOM 0 H ILE A 53 22.750 -14.329 -0.357 1.00 0.00 H new ATOM 0 HA ILE A 53 23.076 -12.954 -2.971 1.00 0.00 H new ATOM 0 HB ILE A 53 24.311 -12.269 -0.281 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.104 -11.250 -0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.352 -10.019 -0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.636 -10.511 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 53 26.085 -12.156 -1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 53 25.062 -11.147 -3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.655 -9.561 -2.312 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.228 -9.895 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.961 -11.145 -3.063 1.00 0.00 H new ATOM 835 N VAL A 54 24.748 -14.838 -3.413 1.00 0.00 N ATOM 836 CA VAL A 54 25.819 -15.785 -3.732 1.00 0.00 C ATOM 837 C VAL A 54 27.070 -14.986 -4.106 1.00 0.00 C ATOM 838 O VAL A 54 27.052 -14.245 -5.088 1.00 0.00 O ATOM 839 CB VAL A 54 25.416 -16.756 -4.905 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.554 -17.768 -5.219 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.080 -17.480 -4.586 1.00 0.00 C ATOM 0 H VAL A 54 24.112 -14.654 -4.189 1.00 0.00 H new ATOM 0 HA VAL A 54 26.011 -16.410 -2.860 1.00 0.00 H new ATOM 0 HB VAL A 54 25.263 -16.156 -5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.244 -18.423 -6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.453 -17.225 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 54 26.764 -18.366 -4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 54 23.821 -18.145 -5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.191 -18.062 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.289 -16.742 -4.453 1.00 0.00 H new ATOM 851 N ILE A 55 28.122 -15.103 -3.286 1.00 0.00 N ATOM 852 CA ILE A 55 29.432 -14.478 -3.547 1.00 0.00 C ATOM 853 C ILE A 55 30.449 -15.561 -3.929 1.00 0.00 C ATOM 854 O ILE A 55 30.219 -16.760 -3.709 1.00 0.00 O ATOM 855 CB ILE A 55 29.978 -13.669 -2.298 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.230 -14.618 -1.073 1.00 0.00 C ATOM 857 CG2 ILE A 55 29.016 -12.508 -1.920 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.915 -13.970 0.119 1.00 0.00 C ATOM 0 H ILE A 55 28.092 -15.636 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 55 29.296 -13.770 -4.365 1.00 0.00 H new ATOM 0 HB ILE A 55 30.935 -13.230 -2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.273 -15.023 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.836 -15.461 -1.406 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.415 -11.970 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.921 -11.824 -2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.036 -12.914 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 55 31.043 -14.708 0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.891 -13.590 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 55 30.303 -13.146 0.487 1.00 0.00 H new ATOM 870 N GLY A 56 31.571 -15.118 -4.509 1.00 0.00 N ATOM 871 CA GLY A 56 32.675 -15.997 -4.847 1.00 0.00 C ATOM 872 C GLY A 56 33.667 -16.026 -3.721 1.00 0.00 C ATOM 873 O GLY A 56 33.558 -16.861 -2.824 1.00 0.00 O ATOM 0 H GLY A 56 31.730 -14.140 -4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.304 -17.003 -5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 56 33.159 -15.653 -5.761 1.00 0.00 H new ATOM 877 N GLU A 57 34.597 -15.065 -3.738 1.00 0.00 N ATOM 878 CA GLU A 57 35.627 -14.914 -2.703 1.00 0.00 C ATOM 879 C GLU A 57 36.212 -13.493 -2.730 1.00 0.00 C ATOM 880 O GLU A 57 35.986 -12.721 -3.677 1.00 0.00 O ATOM 881 CB GLU A 57 36.748 -15.975 -2.871 1.00 0.00 C ATOM 882 CG GLU A 57 37.489 -15.912 -4.218 1.00 0.00 C ATOM 883 CD GLU A 57 38.499 -17.057 -4.381 1.00 0.00 C ATOM 884 OE1 GLU A 57 39.598 -16.974 -3.796 1.00 0.00 O ATOM 885 OE2 GLU A 57 38.177 -18.060 -5.052 1.00 0.00 O ATOM 0 H GLU A 57 34.657 -14.364 -4.476 1.00 0.00 H new ATOM 0 HA GLU A 57 35.158 -15.076 -1.732 1.00 0.00 H new ATOM 0 HB2 GLU A 57 37.472 -15.851 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 57 36.312 -16.967 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 57 36.764 -15.951 -5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 57 38.009 -14.957 -4.300 1.00 0.00 H new ATOM 892 N PHE A 58 36.975 -13.190 -1.677 1.00 0.00 N ATOM 893 CA PHE A 58 37.537 -11.859 -1.400 1.00 0.00 C ATOM 894 C PHE A 58 38.645 -11.996 -0.336 1.00 0.00 C ATOM 895 O PHE A 58 38.932 -13.112 0.134 1.00 0.00 O ATOM 896 CB PHE A 58 36.409 -10.889 -0.918 1.00 0.00 C ATOM 897 CG PHE A 58 35.763 -11.289 0.416 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.919 -12.399 0.506 1.00 0.00 C ATOM 899 CD2 PHE A 58 36.028 -10.576 1.580 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.373 -12.774 1.711 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.471 -10.952 2.784 1.00 0.00 C ATOM 902 CZ PHE A 58 34.652 -12.046 2.850 1.00 0.00 C ATOM 0 H PHE A 58 37.228 -13.881 -0.971 1.00 0.00 H new ATOM 0 HA PHE A 58 37.969 -11.440 -2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.825 -9.886 -0.821 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.635 -10.841 -1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.693 -12.970 -0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.679 -9.715 1.540 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.726 -13.637 1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.682 -10.382 3.677 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.223 -12.341 3.796 1.00 0.00 H new ATOM 912 N ASP A 59 39.253 -10.867 0.050 1.00 0.00 N ATOM 913 CA ASP A 59 40.264 -10.820 1.114 1.00 0.00 C ATOM 914 C ASP A 59 39.582 -10.491 2.445 1.00 0.00 C ATOM 915 O ASP A 59 39.100 -9.372 2.642 1.00 0.00 O ATOM 916 CB ASP A 59 41.372 -9.790 0.784 1.00 0.00 C ATOM 917 CG ASP A 59 42.257 -10.244 -0.387 1.00 0.00 C ATOM 918 OD1 ASP A 59 43.179 -11.066 -0.161 1.00 0.00 O ATOM 919 OD2 ASP A 59 42.022 -9.811 -1.535 1.00 0.00 O ATOM 0 H ASP A 59 39.057 -9.958 -0.368 1.00 0.00 H new ATOM 0 HA ASP A 59 40.745 -11.795 1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 59 40.914 -8.832 0.540 1.00 0.00 H new ATOM 0 HB3 ASP A 59 41.993 -9.632 1.666 1.00 0.00 H new ATOM 924 N GLU A 60 39.545 -11.497 3.340 1.00 0.00 N ATOM 925 CA GLU A 60 38.847 -11.425 4.637 1.00 0.00 C ATOM 926 C GLU A 60 39.477 -10.366 5.562 1.00 0.00 C ATOM 927 O GLU A 60 38.757 -9.662 6.275 1.00 0.00 O ATOM 928 CB GLU A 60 38.849 -12.829 5.320 1.00 0.00 C ATOM 929 CG GLU A 60 40.263 -13.375 5.637 1.00 0.00 C ATOM 930 CD GLU A 60 40.276 -14.773 6.273 1.00 0.00 C ATOM 931 OE1 GLU A 60 39.783 -14.918 7.413 1.00 0.00 O ATOM 932 OE2 GLU A 60 40.809 -15.722 5.656 1.00 0.00 O ATOM 0 H GLU A 60 40.005 -12.393 3.180 1.00 0.00 H new ATOM 0 HA GLU A 60 37.817 -11.121 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 60 38.277 -12.772 6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 60 38.334 -13.538 4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 60 40.843 -13.403 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 60 40.766 -12.679 6.309 1.00 0.00 H new ATOM 939 N GLU A 61 40.820 -10.257 5.504 1.00 0.00 N ATOM 940 CA GLU A 61 41.604 -9.332 6.344 1.00 0.00 C ATOM 941 C GLU A 61 41.301 -7.882 5.957 1.00 0.00 C ATOM 942 O GLU A 61 40.970 -7.054 6.813 1.00 0.00 O ATOM 943 CB GLU A 61 43.120 -9.624 6.183 1.00 0.00 C ATOM 944 CG GLU A 61 43.518 -11.085 6.459 1.00 0.00 C ATOM 945 CD GLU A 61 44.985 -11.377 6.107 1.00 0.00 C ATOM 946 OE1 GLU A 61 45.313 -11.421 4.900 1.00 0.00 O ATOM 947 OE2 GLU A 61 45.816 -11.580 7.021 1.00 0.00 O ATOM 0 H GLU A 61 41.393 -10.812 4.869 1.00 0.00 H new ATOM 0 HA GLU A 61 41.325 -9.481 7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 61 43.422 -9.363 5.169 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.677 -8.975 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 61 43.350 -11.310 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 61 42.872 -11.748 5.884 1.00 0.00 H new ATOM 954 N GLU A 62 41.387 -7.605 4.649 1.00 0.00 N ATOM 955 CA GLU A 62 41.129 -6.270 4.103 1.00 0.00 C ATOM 956 C GLU A 62 39.661 -5.853 4.328 1.00 0.00 C ATOM 957 O GLU A 62 39.393 -4.706 4.691 1.00 0.00 O ATOM 958 CB GLU A 62 41.501 -6.216 2.604 1.00 0.00 C ATOM 959 CG GLU A 62 42.999 -6.477 2.328 1.00 0.00 C ATOM 960 CD GLU A 62 43.423 -6.182 0.882 1.00 0.00 C ATOM 961 OE1 GLU A 62 43.661 -4.993 0.553 1.00 0.00 O ATOM 962 OE2 GLU A 62 43.545 -7.125 0.074 1.00 0.00 O ATOM 0 H GLU A 62 41.636 -8.298 3.944 1.00 0.00 H new ATOM 0 HA GLU A 62 41.759 -5.557 4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 62 40.907 -6.953 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 62 41.232 -5.237 2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 62 43.596 -5.864 3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 62 43.225 -7.518 2.558 1.00 0.00 H new ATOM 969 N ALA A 63 38.740 -6.818 4.178 1.00 0.00 N ATOM 970 CA ALA A 63 37.292 -6.580 4.286 1.00 0.00 C ATOM 971 C ALA A 63 36.877 -6.205 5.718 1.00 0.00 C ATOM 972 O ALA A 63 36.016 -5.342 5.909 1.00 0.00 O ATOM 973 CB ALA A 63 36.531 -7.824 3.842 1.00 0.00 C ATOM 0 H ALA A 63 38.980 -7.789 3.978 1.00 0.00 H new ATOM 0 HA ALA A 63 37.046 -5.740 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.459 -7.643 3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.782 -8.054 2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.807 -8.665 4.478 1.00 0.00 H new ATOM 979 N ARG A 64 37.474 -6.894 6.717 1.00 0.00 N ATOM 980 CA ARG A 64 37.127 -6.688 8.142 1.00 0.00 C ATOM 981 C ARG A 64 37.715 -5.382 8.702 1.00 0.00 C ATOM 982 O ARG A 64 37.114 -4.795 9.591 1.00 0.00 O ATOM 983 CB ARG A 64 37.564 -7.882 9.032 1.00 0.00 C ATOM 984 CG ARG A 64 39.079 -8.116 9.106 1.00 0.00 C ATOM 985 CD ARG A 64 39.462 -9.274 10.028 1.00 0.00 C ATOM 986 NE ARG A 64 38.748 -10.520 9.676 1.00 0.00 N ATOM 987 CZ ARG A 64 39.293 -11.593 9.092 1.00 0.00 C ATOM 988 NH1 ARG A 64 40.584 -11.629 8.795 1.00 0.00 N ATOM 989 NH2 ARG A 64 38.536 -12.641 8.825 1.00 0.00 N ATOM 0 H ARG A 64 38.197 -7.596 6.563 1.00 0.00 H new ATOM 0 HA ARG A 64 36.040 -6.616 8.172 1.00 0.00 H new ATOM 0 HB2 ARG A 64 37.187 -7.720 10.042 1.00 0.00 H new ATOM 0 HB3 ARG A 64 37.090 -8.788 8.656 1.00 0.00 H new ATOM 0 HG2 ARG A 64 39.459 -8.316 8.104 1.00 0.00 H new ATOM 0 HG3 ARG A 64 39.565 -7.205 9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 64 40.537 -9.443 9.970 1.00 0.00 H new ATOM 0 HD3 ARG A 64 39.236 -9.006 11.060 1.00 0.00 H new ATOM 0 HE ARG A 64 37.753 -10.565 9.898 1.00 0.00 H new ATOM 0 HH11 ARG A 64 41.180 -10.830 9.012 1.00 0.00 H new ATOM 0 HH12 ARG A 64 40.982 -12.456 8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 64 37.544 -12.628 9.064 1.00 0.00 H new ATOM 0 HH22 ARG A 64 38.943 -13.464 8.380 1.00 0.00 H new ATOM 1003 N GLU A 65 38.894 -4.939 8.201 1.00 0.00 N ATOM 1004 CA GLU A 65 39.562 -3.711 8.724 1.00 0.00 C ATOM 1005 C GLU A 65 38.867 -2.434 8.214 1.00 0.00 C ATOM 1006 O GLU A 65 38.708 -1.465 8.972 1.00 0.00 O ATOM 1007 CB GLU A 65 41.086 -3.688 8.422 1.00 0.00 C ATOM 1008 CG GLU A 65 41.460 -3.865 6.949 1.00 0.00 C ATOM 1009 CD GLU A 65 42.975 -3.937 6.707 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.620 -2.876 6.595 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.528 -5.055 6.636 1.00 0.00 O ATOM 0 H GLU A 65 39.400 -5.403 7.446 1.00 0.00 H new ATOM 0 HA GLU A 65 39.460 -3.737 9.809 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.496 -2.741 8.773 1.00 0.00 H new ATOM 0 HB3 GLU A 65 41.567 -4.477 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 65 40.996 -4.776 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 65 41.047 -3.035 6.375 1.00 0.00 H new ATOM 1018 N LEU A 66 38.428 -2.436 6.938 1.00 0.00 N ATOM 1019 CA LEU A 66 37.568 -1.354 6.409 1.00 0.00 C ATOM 1020 C LEU A 66 36.098 -1.609 6.811 1.00 0.00 C ATOM 1021 O LEU A 66 35.233 -0.737 6.667 1.00 0.00 O ATOM 1022 CB LEU A 66 37.794 -1.148 4.882 1.00 0.00 C ATOM 1023 CG LEU A 66 37.512 -2.352 3.918 1.00 0.00 C ATOM 1024 CD1 LEU A 66 36.016 -2.556 3.627 1.00 0.00 C ATOM 1025 CD2 LEU A 66 38.314 -2.219 2.602 1.00 0.00 C ATOM 0 H LEU A 66 38.651 -3.165 6.261 1.00 0.00 H new ATOM 0 HA LEU A 66 37.848 -0.403 6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.169 -0.314 4.563 1.00 0.00 H new ATOM 0 HB3 LEU A 66 38.830 -0.843 4.738 1.00 0.00 H new ATOM 0 HG LEU A 66 37.852 -3.244 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.889 -3.404 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.487 -2.750 4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.610 -1.658 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 66 38.096 -3.069 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 66 38.031 -1.296 2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 66 39.380 -2.198 2.826 1.00 0.00 H new ATOM 1037 N GLY A 67 35.839 -2.842 7.287 1.00 0.00 N ATOM 1038 CA GLY A 67 34.604 -3.181 7.988 1.00 0.00 C ATOM 1039 C GLY A 67 34.561 -2.536 9.375 1.00 0.00 C ATOM 1040 O GLY A 67 33.495 -2.158 9.836 1.00 0.00 O ATOM 0 H GLY A 67 36.486 -3.625 7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.747 -2.848 7.402 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.523 -4.264 8.085 1.00 0.00 H new ATOM 1044 N ARG A 68 35.747 -2.409 10.031 1.00 0.00 N ATOM 1045 CA ARG A 68 35.900 -1.654 11.312 1.00 0.00 C ATOM 1046 C ARG A 68 35.610 -0.167 11.073 1.00 0.00 C ATOM 1047 O ARG A 68 34.988 0.516 11.910 1.00 0.00 O ATOM 1048 CB ARG A 68 37.330 -1.784 11.912 1.00 0.00 C ATOM 1049 CG ARG A 68 37.777 -3.213 12.264 1.00 0.00 C ATOM 1050 CD ARG A 68 39.210 -3.252 12.830 1.00 0.00 C ATOM 1051 NE ARG A 68 40.194 -2.587 11.945 1.00 0.00 N ATOM 1052 CZ ARG A 68 41.510 -2.467 12.201 1.00 0.00 C ATOM 1053 NH1 ARG A 68 42.039 -2.969 13.306 1.00 0.00 N ATOM 1054 NH2 ARG A 68 42.286 -1.828 11.344 1.00 0.00 N ATOM 0 H ARG A 68 36.617 -2.821 9.693 1.00 0.00 H new ATOM 0 HA ARG A 68 35.192 -2.084 12.020 1.00 0.00 H new ATOM 0 HB2 ARG A 68 38.042 -1.365 11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 68 37.383 -1.174 12.814 1.00 0.00 H new ATOM 0 HG2 ARG A 68 37.088 -3.638 12.994 1.00 0.00 H new ATOM 0 HG3 ARG A 68 37.723 -3.839 11.373 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.223 -2.770 13.808 1.00 0.00 H new ATOM 0 HD3 ARG A 68 39.508 -4.289 12.982 1.00 0.00 H new ATOM 0 HE ARG A 68 39.847 -2.188 11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 68 41.447 -3.456 13.979 1.00 0.00 H new ATOM 0 HH12 ARG A 68 43.038 -2.869 13.484 1.00 0.00 H new ATOM 0 HH21 ARG A 68 41.887 -1.429 10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 68 43.284 -1.734 11.532 1.00 0.00 H new ATOM 1068 N LYS A 69 36.101 0.333 9.922 1.00 0.00 N ATOM 1069 CA LYS A 69 35.747 1.670 9.435 1.00 0.00 C ATOM 1070 C LYS A 69 34.218 1.799 9.333 1.00 0.00 C ATOM 1071 O LYS A 69 33.678 2.824 9.712 1.00 0.00 O ATOM 1072 CB LYS A 69 36.412 1.968 8.069 1.00 0.00 C ATOM 1073 CG LYS A 69 36.034 3.339 7.453 1.00 0.00 C ATOM 1074 CD LYS A 69 36.748 3.632 6.111 1.00 0.00 C ATOM 1075 CE LYS A 69 36.445 2.588 5.025 1.00 0.00 C ATOM 1076 NZ LYS A 69 37.088 2.936 3.732 1.00 0.00 N ATOM 0 H LYS A 69 36.745 -0.174 9.315 1.00 0.00 H new ATOM 0 HA LYS A 69 36.121 2.405 10.148 1.00 0.00 H new ATOM 0 HB2 LYS A 69 37.494 1.925 8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 69 36.138 1.181 7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 69 34.956 3.373 7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 69 36.278 4.128 8.165 1.00 0.00 H new ATOM 0 HD2 LYS A 69 36.447 4.617 5.754 1.00 0.00 H new ATOM 0 HD3 LYS A 69 37.824 3.670 6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 69 36.795 1.609 5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 69 35.367 2.511 4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 36.861 2.209 3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 36.735 3.858 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 38.119 2.985 3.859 1.00 0.00 H new ATOM 1090 N TRP A 70 33.528 0.721 8.869 1.00 0.00 N ATOM 1091 CA TRP A 70 32.055 0.677 8.832 1.00 0.00 C ATOM 1092 C TRP A 70 31.448 0.700 10.251 1.00 0.00 C ATOM 1093 O TRP A 70 30.374 1.268 10.437 1.00 0.00 O ATOM 1094 CB TRP A 70 31.503 -0.534 8.044 1.00 0.00 C ATOM 1095 CG TRP A 70 29.985 -0.567 8.022 1.00 0.00 C ATOM 1096 CD1 TRP A 70 29.162 0.116 7.176 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.119 -1.254 8.943 1.00 0.00 C ATOM 1098 NE1 TRP A 70 27.854 -0.145 7.477 1.00 0.00 N ATOM 1099 CE2 TRP A 70 27.803 -0.971 8.558 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.342 -2.092 10.045 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 26.711 -1.490 9.237 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.255 -2.599 10.720 1.00 0.00 C ATOM 1103 CH2 TRP A 70 26.953 -2.301 10.313 1.00 0.00 C ATOM 0 H TRP A 70 33.977 -0.125 8.517 1.00 0.00 H new ATOM 0 HA TRP A 70 31.751 1.579 8.301 1.00 0.00 H new ATOM 0 HB2 TRP A 70 31.878 -0.500 7.021 1.00 0.00 H new ATOM 0 HB3 TRP A 70 31.877 -1.455 8.490 1.00 0.00 H new ATOM 0 HD1 TRP A 70 29.495 0.769 6.383 1.00 0.00 H new ATOM 0 HE1 TRP A 70 27.046 0.220 6.973 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.347 -2.335 10.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 25.702 -1.262 8.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.411 -3.237 11.577 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.120 -2.719 10.858 1.00 0.00 H new ATOM 1114 N LEU A 71 32.103 0.070 11.250 1.00 0.00 N ATOM 1115 CA LEU A 71 31.645 0.166 12.666 1.00 0.00 C ATOM 1116 C LEU A 71 31.584 1.649 13.122 1.00 0.00 C ATOM 1117 O LEU A 71 30.894 1.975 14.085 1.00 0.00 O ATOM 1118 CB LEU A 71 32.521 -0.690 13.644 1.00 0.00 C ATOM 1119 CG LEU A 71 32.150 -2.209 13.802 1.00 0.00 C ATOM 1120 CD1 LEU A 71 30.691 -2.388 14.255 1.00 0.00 C ATOM 1121 CD2 LEU A 71 32.440 -3.024 12.530 1.00 0.00 C ATOM 0 H LEU A 71 32.936 -0.502 11.114 1.00 0.00 H new ATOM 0 HA LEU A 71 30.640 -0.253 12.705 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.557 -0.629 13.310 1.00 0.00 H new ATOM 0 HB3 LEU A 71 32.476 -0.227 14.630 1.00 0.00 H new ATOM 0 HG LEU A 71 32.798 -2.605 14.584 1.00 0.00 H new ATOM 0 HD11 LEU A 71 30.469 -3.450 14.354 1.00 0.00 H new ATOM 0 HD12 LEU A 71 30.546 -1.896 15.216 1.00 0.00 H new ATOM 0 HD13 LEU A 71 30.024 -1.945 13.516 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.165 -4.066 12.695 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.859 -2.622 11.700 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.502 -2.962 12.292 1.00 0.00 H new ATOM 1133 N GLU A 72 32.339 2.522 12.433 1.00 0.00 N ATOM 1134 CA GLU A 72 32.160 3.991 12.507 1.00 0.00 C ATOM 1135 C GLU A 72 31.064 4.501 11.499 1.00 0.00 C ATOM 1136 O GLU A 72 30.169 5.263 11.889 1.00 0.00 O ATOM 1137 CB GLU A 72 33.526 4.680 12.253 1.00 0.00 C ATOM 1138 CG GLU A 72 33.526 6.215 12.383 1.00 0.00 C ATOM 1139 CD GLU A 72 34.915 6.829 12.137 1.00 0.00 C ATOM 1140 OE1 GLU A 72 35.761 6.802 13.055 1.00 0.00 O ATOM 1141 OE2 GLU A 72 35.173 7.315 11.018 1.00 0.00 O ATOM 0 H GLU A 72 33.092 2.234 11.808 1.00 0.00 H new ATOM 0 HA GLU A 72 31.804 4.251 13.504 1.00 0.00 H new ATOM 0 HB2 GLU A 72 34.255 4.273 12.954 1.00 0.00 H new ATOM 0 HB3 GLU A 72 33.866 4.417 11.251 1.00 0.00 H new ATOM 0 HG2 GLU A 72 32.815 6.636 11.672 1.00 0.00 H new ATOM 0 HG3 GLU A 72 33.182 6.492 13.380 1.00 0.00 H new ATOM 1148 N GLU A 73 31.134 4.038 10.217 1.00 0.00 N ATOM 1149 CA GLU A 73 30.274 4.532 9.082 1.00 0.00 C ATOM 1150 C GLU A 73 28.774 4.263 9.285 1.00 0.00 C ATOM 1151 O GLU A 73 27.947 4.893 8.646 1.00 0.00 O ATOM 1152 CB GLU A 73 30.680 3.888 7.726 1.00 0.00 C ATOM 1153 CG GLU A 73 32.145 4.070 7.310 1.00 0.00 C ATOM 1154 CD GLU A 73 32.541 5.517 6.998 1.00 0.00 C ATOM 1155 OE1 GLU A 73 32.399 5.942 5.834 1.00 0.00 O ATOM 1156 OE2 GLU A 73 32.999 6.237 7.912 1.00 0.00 O ATOM 0 H GLU A 73 31.789 3.309 9.933 1.00 0.00 H new ATOM 0 HA GLU A 73 30.443 5.609 9.067 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.466 2.820 7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 73 30.046 4.305 6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 73 32.786 3.695 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 73 32.339 3.456 6.431 1.00 0.00 H new ATOM 1163 N LYS A 74 28.451 3.297 10.144 1.00 0.00 N ATOM 1164 CA LYS A 74 27.054 2.909 10.472 1.00 0.00 C ATOM 1165 C LYS A 74 26.265 4.084 11.101 1.00 0.00 C ATOM 1166 O LYS A 74 25.035 4.086 11.103 1.00 0.00 O ATOM 1167 CB LYS A 74 27.049 1.648 11.399 1.00 0.00 C ATOM 1168 CG LYS A 74 27.857 1.772 12.723 1.00 0.00 C ATOM 1169 CD LYS A 74 27.088 2.475 13.872 1.00 0.00 C ATOM 1170 CE LYS A 74 27.959 2.700 15.118 1.00 0.00 C ATOM 1171 NZ LYS A 74 28.537 1.436 15.644 1.00 0.00 N ATOM 0 H LYS A 74 29.150 2.748 10.644 1.00 0.00 H new ATOM 0 HA LYS A 74 26.544 2.654 9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 74 26.015 1.409 11.648 1.00 0.00 H new ATOM 0 HB3 LYS A 74 27.444 0.804 10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 74 28.149 0.775 13.053 1.00 0.00 H new ATOM 0 HG3 LYS A 74 28.776 2.324 12.525 1.00 0.00 H new ATOM 0 HD2 LYS A 74 26.712 3.435 13.518 1.00 0.00 H new ATOM 0 HD3 LYS A 74 26.220 1.874 14.144 1.00 0.00 H new ATOM 0 HE2 LYS A 74 28.766 3.391 14.873 1.00 0.00 H new ATOM 0 HE3 LYS A 74 27.360 3.173 15.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 28.600 1.488 16.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 27.929 0.637 15.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 29.488 1.297 15.246 1.00 0.00 H new ATOM 1185 N SER A 75 27.007 5.070 11.646 1.00 0.00 N ATOM 1186 CA SER A 75 26.443 6.291 12.255 1.00 0.00 C ATOM 1187 C SER A 75 26.173 7.385 11.184 1.00 0.00 C ATOM 1188 O SER A 75 25.899 8.541 11.535 1.00 0.00 O ATOM 1189 CB SER A 75 27.430 6.795 13.345 1.00 0.00 C ATOM 1190 OG SER A 75 26.899 7.867 14.117 1.00 0.00 O ATOM 0 H SER A 75 28.026 5.040 11.676 1.00 0.00 H new ATOM 0 HA SER A 75 25.480 6.062 12.712 1.00 0.00 H new ATOM 0 HB2 SER A 75 27.686 5.968 14.007 1.00 0.00 H new ATOM 0 HB3 SER A 75 28.355 7.120 12.869 1.00 0.00 H new ATOM 0 HG SER A 75 26.411 8.482 13.530 1.00 0.00 H new ATOM 1196 N LYS A 76 26.231 7.000 9.882 1.00 0.00 N ATOM 1197 CA LYS A 76 25.982 7.915 8.742 1.00 0.00 C ATOM 1198 C LYS A 76 24.548 8.500 8.803 1.00 0.00 C ATOM 1199 O LYS A 76 23.628 7.814 9.272 1.00 0.00 O ATOM 1200 CB LYS A 76 26.216 7.182 7.380 1.00 0.00 C ATOM 1201 CG LYS A 76 25.312 5.951 7.102 1.00 0.00 C ATOM 1202 CD LYS A 76 25.648 5.269 5.749 1.00 0.00 C ATOM 1203 CE LYS A 76 24.726 4.080 5.424 1.00 0.00 C ATOM 1204 NZ LYS A 76 24.912 2.938 6.352 1.00 0.00 N ATOM 0 H LYS A 76 26.452 6.046 9.596 1.00 0.00 H new ATOM 0 HA LYS A 76 26.690 8.740 8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 76 26.073 7.902 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 76 27.256 6.860 7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 76 25.427 5.228 7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 76 24.268 6.263 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 76 25.575 6.006 4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 76 26.682 4.924 5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 76 23.688 4.410 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 76 24.916 3.748 4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 24.001 2.460 6.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 25.593 2.266 5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 25.273 3.286 7.263 1.00 0.00 H new ATOM 1218 N PRO A 77 24.332 9.777 8.340 1.00 0.00 N ATOM 1219 CA PRO A 77 22.989 10.417 8.358 1.00 0.00 C ATOM 1220 C PRO A 77 22.003 9.748 7.367 1.00 0.00 C ATOM 1221 O PRO A 77 22.416 9.016 6.448 1.00 0.00 O ATOM 1222 CB PRO A 77 23.294 11.893 7.974 1.00 0.00 C ATOM 1223 CG PRO A 77 24.546 11.810 7.151 1.00 0.00 C ATOM 1224 CD PRO A 77 25.365 10.698 7.779 1.00 0.00 C ATOM 0 HA PRO A 77 22.492 10.323 9.324 1.00 0.00 H new ATOM 0 HB2 PRO A 77 22.474 12.334 7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 77 23.440 12.512 8.859 1.00 0.00 H new ATOM 0 HG2 PRO A 77 24.317 11.589 6.108 1.00 0.00 H new ATOM 0 HG3 PRO A 77 25.089 12.755 7.165 1.00 0.00 H new ATOM 0 HD2 PRO A 77 25.992 10.196 7.042 1.00 0.00 H new ATOM 0 HD3 PRO A 77 26.028 11.078 8.556 1.00 0.00 H new ATOM 1232 N VAL A 78 20.697 10.003 7.587 1.00 0.00 N ATOM 1233 CA VAL A 78 19.608 9.483 6.739 1.00 0.00 C ATOM 1234 C VAL A 78 19.631 10.223 5.383 1.00 0.00 C ATOM 1235 O VAL A 78 19.014 11.282 5.213 1.00 0.00 O ATOM 1236 CB VAL A 78 18.201 9.612 7.450 1.00 0.00 C ATOM 1237 CG1 VAL A 78 17.053 9.036 6.571 1.00 0.00 C ATOM 1238 CG2 VAL A 78 18.233 8.938 8.851 1.00 0.00 C ATOM 0 H VAL A 78 20.368 10.578 8.362 1.00 0.00 H new ATOM 0 HA VAL A 78 19.767 8.418 6.568 1.00 0.00 H new ATOM 0 HB VAL A 78 17.994 10.674 7.586 1.00 0.00 H new ATOM 0 HG11 VAL A 78 16.104 9.144 7.096 1.00 0.00 H new ATOM 0 HG12 VAL A 78 17.010 9.579 5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 78 17.240 7.981 6.374 1.00 0.00 H new ATOM 0 HG21 VAL A 78 17.256 9.037 9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 78 18.478 7.882 8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.988 9.422 9.471 1.00 0.00 H new ATOM 1248 N THR A 79 20.430 9.678 4.453 1.00 0.00 N ATOM 1249 CA THR A 79 20.660 10.254 3.117 1.00 0.00 C ATOM 1250 C THR A 79 20.855 9.120 2.088 1.00 0.00 C ATOM 1251 O THR A 79 20.340 9.183 0.962 1.00 0.00 O ATOM 1252 CB THR A 79 21.918 11.201 3.125 1.00 0.00 C ATOM 1253 OG1 THR A 79 21.779 12.203 4.155 1.00 0.00 O ATOM 1254 CG2 THR A 79 22.140 11.902 1.767 1.00 0.00 C ATOM 0 H THR A 79 20.943 8.811 4.610 1.00 0.00 H new ATOM 0 HA THR A 79 19.789 10.848 2.839 1.00 0.00 H new ATOM 0 HB THR A 79 22.785 10.570 3.322 1.00 0.00 H new ATOM 0 HG1 THR A 79 22.567 12.786 4.153 1.00 0.00 H new ATOM 0 HG21 THR A 79 23.020 12.543 1.828 1.00 0.00 H new ATOM 0 HG22 THR A 79 22.290 11.152 0.991 1.00 0.00 H new ATOM 0 HG23 THR A 79 21.267 12.507 1.523 1.00 0.00 H new ATOM 1262 N LEU A 80 21.590 8.072 2.508 1.00 0.00 N ATOM 1263 CA LEU A 80 21.946 6.934 1.646 1.00 0.00 C ATOM 1264 C LEU A 80 20.721 6.034 1.387 1.00 0.00 C ATOM 1265 O LEU A 80 20.030 5.613 2.320 1.00 0.00 O ATOM 1266 CB LEU A 80 23.112 6.097 2.260 1.00 0.00 C ATOM 1267 CG LEU A 80 24.541 6.737 2.244 1.00 0.00 C ATOM 1268 CD1 LEU A 80 24.978 7.114 0.814 1.00 0.00 C ATOM 1269 CD2 LEU A 80 24.657 7.936 3.217 1.00 0.00 C ATOM 0 H LEU A 80 21.953 7.993 3.458 1.00 0.00 H new ATOM 0 HA LEU A 80 22.286 7.341 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 80 22.856 5.870 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 80 23.162 5.147 1.728 1.00 0.00 H new ATOM 0 HG LEU A 80 25.233 5.976 2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 80 25.974 7.555 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 80 24.995 6.220 0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 80 24.274 7.834 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 80 25.666 8.346 3.170 1.00 0.00 H new ATOM 0 HD22 LEU A 80 23.939 8.705 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 80 24.448 7.602 4.233 1.00 0.00 H new ATOM 1281 N GLU A 81 20.482 5.760 0.104 1.00 0.00 N ATOM 1282 CA GLU A 81 19.420 4.852 -0.380 1.00 0.00 C ATOM 1283 C GLU A 81 20.068 3.553 -0.932 1.00 0.00 C ATOM 1284 O GLU A 81 19.372 2.631 -1.373 1.00 0.00 O ATOM 1285 CB GLU A 81 18.575 5.583 -1.470 1.00 0.00 C ATOM 1286 CG GLU A 81 17.349 4.794 -1.976 1.00 0.00 C ATOM 1287 CD GLU A 81 16.552 5.525 -3.063 1.00 0.00 C ATOM 1288 OE1 GLU A 81 17.019 5.577 -4.216 1.00 0.00 O ATOM 1289 OE2 GLU A 81 15.460 6.058 -2.771 1.00 0.00 O ATOM 0 H GLU A 81 21.030 6.169 -0.653 1.00 0.00 H new ATOM 0 HA GLU A 81 18.752 4.576 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.234 6.537 -1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 81 19.220 5.808 -2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 81 17.683 3.833 -2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 81 16.690 4.584 -1.134 1.00 0.00 H new ATOM 1296 N GLU A 82 21.415 3.492 -0.845 1.00 0.00 N ATOM 1297 CA GLU A 82 22.249 2.387 -1.363 1.00 0.00 C ATOM 1298 C GLU A 82 21.795 1.009 -0.825 1.00 0.00 C ATOM 1299 O GLU A 82 21.817 0.010 -1.557 1.00 0.00 O ATOM 1300 CB GLU A 82 23.734 2.666 -0.988 1.00 0.00 C ATOM 1301 CG GLU A 82 24.762 1.635 -1.498 1.00 0.00 C ATOM 1302 CD GLU A 82 24.814 1.516 -3.028 1.00 0.00 C ATOM 1303 OE1 GLU A 82 25.453 2.373 -3.675 1.00 0.00 O ATOM 1304 OE2 GLU A 82 24.210 0.570 -3.591 1.00 0.00 O ATOM 0 H GLU A 82 21.965 4.228 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 82 22.138 2.345 -2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 82 24.009 3.647 -1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 82 23.810 2.720 0.098 1.00 0.00 H new ATOM 0 HG2 GLU A 82 25.751 1.909 -1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 82 24.524 0.659 -1.075 1.00 0.00 H new ATOM 1311 N LEU A 83 21.387 0.973 0.459 1.00 0.00 N ATOM 1312 CA LEU A 83 20.889 -0.258 1.111 1.00 0.00 C ATOM 1313 C LEU A 83 19.483 -0.654 0.598 1.00 0.00 C ATOM 1314 O LEU A 83 19.202 -1.844 0.398 1.00 0.00 O ATOM 1315 CB LEU A 83 20.898 -0.094 2.658 1.00 0.00 C ATOM 1316 CG LEU A 83 20.430 -1.338 3.492 1.00 0.00 C ATOM 1317 CD1 LEU A 83 21.253 -2.607 3.140 1.00 0.00 C ATOM 1318 CD2 LEU A 83 20.477 -1.032 5.009 1.00 0.00 C ATOM 0 H LEU A 83 21.392 1.789 1.071 1.00 0.00 H new ATOM 0 HA LEU A 83 21.564 -1.072 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 83 21.910 0.165 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 83 20.259 0.751 2.916 1.00 0.00 H new ATOM 0 HG LEU A 83 19.394 -1.547 3.225 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.900 -3.447 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 83 21.131 -2.838 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 83 22.307 -2.428 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.148 -1.909 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 83 21.497 -0.779 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.819 -0.192 5.231 1.00 0.00 H new ATOM 1330 N LYS A 84 18.618 0.343 0.368 1.00 0.00 N ATOM 1331 CA LYS A 84 17.210 0.105 -0.006 1.00 0.00 C ATOM 1332 C LYS A 84 17.094 -0.282 -1.494 1.00 0.00 C ATOM 1333 O LYS A 84 17.593 0.430 -2.372 1.00 0.00 O ATOM 1334 CB LYS A 84 16.340 1.354 0.303 1.00 0.00 C ATOM 1335 CG LYS A 84 14.828 1.159 0.009 1.00 0.00 C ATOM 1336 CD LYS A 84 13.952 2.355 0.465 1.00 0.00 C ATOM 1337 CE LYS A 84 14.279 3.666 -0.273 1.00 0.00 C ATOM 1338 NZ LYS A 84 14.034 3.568 -1.736 1.00 0.00 N ATOM 0 H LYS A 84 18.867 1.330 0.434 1.00 0.00 H new ATOM 0 HA LYS A 84 16.839 -0.728 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 84 16.464 1.620 1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 84 16.708 2.195 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.691 1.005 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.482 0.254 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.902 2.109 0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.085 2.506 1.536 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.675 4.473 0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.323 3.928 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.252 4.480 -2.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.642 2.827 -2.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.036 3.328 -1.906 1.00 0.00 H new ATOM 1352 N SER A 85 16.432 -1.419 -1.750 1.00 0.00 N ATOM 1353 CA SER A 85 16.146 -1.937 -3.103 1.00 0.00 C ATOM 1354 C SER A 85 14.658 -1.664 -3.465 1.00 0.00 C ATOM 1355 O SER A 85 14.026 -0.779 -2.869 1.00 0.00 O ATOM 1356 CB SER A 85 16.466 -3.455 -3.106 1.00 0.00 C ATOM 1357 OG SER A 85 15.703 -4.151 -2.124 1.00 0.00 O ATOM 0 H SER A 85 16.071 -2.020 -1.009 1.00 0.00 H new ATOM 0 HA SER A 85 16.759 -1.439 -3.854 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.257 -3.870 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.529 -3.604 -2.916 1.00 0.00 H new ATOM 0 HG SER A 85 15.926 -5.105 -2.152 1.00 0.00 H new ATOM 1363 N TYR A 86 14.104 -2.429 -4.443 1.00 0.00 N ATOM 1364 CA TYR A 86 12.655 -2.397 -4.779 1.00 0.00 C ATOM 1365 C TYR A 86 11.832 -2.987 -3.617 1.00 0.00 C ATOM 1366 O TYR A 86 10.674 -2.614 -3.400 1.00 0.00 O ATOM 1367 CB TYR A 86 12.359 -3.205 -6.071 1.00 0.00 C ATOM 1368 CG TYR A 86 13.185 -2.784 -7.298 1.00 0.00 C ATOM 1369 CD1 TYR A 86 12.771 -1.740 -8.135 1.00 0.00 C ATOM 1370 CD2 TYR A 86 14.379 -3.436 -7.622 1.00 0.00 C ATOM 1371 CE1 TYR A 86 13.515 -1.371 -9.243 1.00 0.00 C ATOM 1372 CE2 TYR A 86 15.120 -3.068 -8.726 1.00 0.00 C ATOM 1373 CZ TYR A 86 14.685 -2.038 -9.533 1.00 0.00 C ATOM 1374 OH TYR A 86 15.430 -1.667 -10.631 1.00 0.00 O ATOM 0 H TYR A 86 14.643 -3.079 -5.015 1.00 0.00 H new ATOM 0 HA TYR A 86 12.375 -1.357 -4.945 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.542 -4.261 -5.872 1.00 0.00 H new ATOM 0 HB3 TYR A 86 11.301 -3.105 -6.311 1.00 0.00 H new ATOM 0 HD1 TYR A 86 11.855 -1.213 -7.912 1.00 0.00 H new ATOM 0 HD2 TYR A 86 14.728 -4.244 -6.996 1.00 0.00 H new ATOM 0 HE1 TYR A 86 13.179 -0.564 -9.877 1.00 0.00 H new ATOM 0 HE2 TYR A 86 16.039 -3.586 -8.958 1.00 0.00 H new ATOM 0 HH TYR A 86 16.226 -2.236 -10.694 1.00 0.00 H new ATOM 1384 N GLY A 87 12.459 -3.924 -2.892 1.00 0.00 N ATOM 1385 CA GLY A 87 11.853 -4.592 -1.741 1.00 0.00 C ATOM 1386 C GLY A 87 12.358 -6.021 -1.615 1.00 0.00 C ATOM 1387 O GLY A 87 12.926 -6.568 -2.573 1.00 0.00 O ATOM 0 H GLY A 87 13.408 -4.239 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.085 -4.039 -0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 87 10.768 -4.593 -1.846 1.00 0.00 H new ATOM 1391 N PHE A 88 12.172 -6.625 -0.436 1.00 0.00 N ATOM 1392 CA PHE A 88 12.571 -8.014 -0.179 1.00 0.00 C ATOM 1393 C PHE A 88 11.666 -8.982 -0.962 1.00 0.00 C ATOM 1394 O PHE A 88 10.437 -8.863 -0.917 1.00 0.00 O ATOM 1395 CB PHE A 88 12.530 -8.316 1.343 1.00 0.00 C ATOM 1396 CG PHE A 88 12.943 -9.744 1.714 1.00 0.00 C ATOM 1397 CD1 PHE A 88 14.161 -10.271 1.279 1.00 0.00 C ATOM 1398 CD2 PHE A 88 12.111 -10.564 2.474 1.00 0.00 C ATOM 1399 CE1 PHE A 88 14.531 -11.562 1.602 1.00 0.00 C ATOM 1400 CE2 PHE A 88 12.486 -11.854 2.798 1.00 0.00 C ATOM 1401 CZ PHE A 88 13.692 -12.356 2.356 1.00 0.00 C ATOM 0 H PHE A 88 11.741 -6.166 0.366 1.00 0.00 H new ATOM 0 HA PHE A 88 13.596 -8.156 -0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 88 13.187 -7.615 1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.520 -8.135 1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 88 14.823 -9.661 0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.159 -10.186 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 88 15.480 -11.951 1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.833 -12.470 3.399 1.00 0.00 H new ATOM 0 HZ PHE A 88 13.979 -13.368 2.600 1.00 0.00 H new ATOM 1411 N GLY A 89 12.294 -9.925 -1.677 1.00 0.00 N ATOM 1412 CA GLY A 89 11.579 -10.936 -2.431 1.00 0.00 C ATOM 1413 C GLY A 89 11.222 -12.085 -1.512 1.00 0.00 C ATOM 1414 O GLY A 89 12.118 -12.630 -0.849 1.00 0.00 O ATOM 0 H GLY A 89 13.309 -9.999 -1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.676 -10.510 -2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.194 -11.293 -3.257 1.00 0.00 H new ATOM 1418 N GLU A 90 9.918 -12.417 -1.423 1.00 0.00 N ATOM 1419 CA GLU A 90 9.421 -13.482 -0.536 1.00 0.00 C ATOM 1420 C GLU A 90 9.843 -14.854 -1.090 1.00 0.00 C ATOM 1421 O GLU A 90 9.095 -15.507 -1.828 1.00 0.00 O ATOM 1422 CB GLU A 90 7.872 -13.384 -0.369 1.00 0.00 C ATOM 1423 CG GLU A 90 7.367 -12.024 0.153 1.00 0.00 C ATOM 1424 CD GLU A 90 7.805 -11.707 1.597 1.00 0.00 C ATOM 1425 OE1 GLU A 90 8.901 -11.136 1.797 1.00 0.00 O ATOM 1426 OE2 GLU A 90 7.056 -12.044 2.540 1.00 0.00 O ATOM 0 H GLU A 90 9.185 -11.956 -1.962 1.00 0.00 H new ATOM 0 HA GLU A 90 9.861 -13.360 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.403 -13.586 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.543 -14.166 0.316 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.729 -11.236 -0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.278 -12.008 0.102 1.00 0.00 H new ATOM 1433 N GLU A 91 11.089 -15.225 -0.779 1.00 0.00 N ATOM 1434 CA GLU A 91 11.717 -16.462 -1.251 1.00 0.00 C ATOM 1435 C GLU A 91 11.273 -17.643 -0.378 1.00 0.00 C ATOM 1436 O GLU A 91 11.083 -18.762 -0.865 1.00 0.00 O ATOM 1437 CB GLU A 91 13.259 -16.292 -1.202 1.00 0.00 C ATOM 1438 CG GLU A 91 14.052 -17.426 -1.861 1.00 0.00 C ATOM 1439 CD GLU A 91 15.567 -17.217 -1.810 1.00 0.00 C ATOM 1440 OE1 GLU A 91 16.157 -17.397 -0.725 1.00 0.00 O ATOM 1441 OE2 GLU A 91 16.179 -16.843 -2.842 1.00 0.00 O ATOM 0 H GLU A 91 11.699 -14.665 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 91 11.411 -16.667 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.523 -15.353 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.568 -16.209 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.806 -18.366 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.740 -17.521 -2.901 1.00 0.00 H new ATOM 1448 N GLY A 92 11.112 -17.362 0.924 1.00 0.00 N ATOM 1449 CA GLY A 92 10.724 -18.360 1.918 1.00 0.00 C ATOM 1450 C GLY A 92 11.483 -18.168 3.222 1.00 0.00 C ATOM 1451 O GLY A 92 11.978 -17.066 3.509 1.00 0.00 O ATOM 0 H GLY A 92 11.249 -16.429 1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.652 -18.292 2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.916 -19.359 1.527 1.00 0.00 H new ATOM 1455 N GLU A 93 11.573 -19.246 4.009 1.00 0.00 N ATOM 1456 CA GLU A 93 12.308 -19.283 5.271 1.00 0.00 C ATOM 1457 C GLU A 93 12.747 -20.733 5.522 1.00 0.00 C ATOM 1458 O GLU A 93 13.946 -21.023 5.591 1.00 0.00 O ATOM 1459 CB GLU A 93 11.427 -18.737 6.432 1.00 0.00 C ATOM 1460 CG GLU A 93 12.078 -18.803 7.825 1.00 0.00 C ATOM 1461 CD GLU A 93 11.178 -18.221 8.921 1.00 0.00 C ATOM 1462 OE1 GLU A 93 11.227 -16.994 9.159 1.00 0.00 O ATOM 1463 OE2 GLU A 93 10.393 -18.980 9.533 1.00 0.00 O ATOM 0 H GLU A 93 11.126 -20.134 3.778 1.00 0.00 H new ATOM 0 HA GLU A 93 13.189 -18.644 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.169 -17.700 6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.494 -19.299 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.312 -19.840 8.064 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.022 -18.259 7.808 1.00 0.00 H new ATOM 1470 N GLY A 94 11.740 -21.632 5.640 1.00 0.00 N ATOM 1471 CA GLY A 94 11.960 -23.080 5.747 1.00 0.00 C ATOM 1472 C GLY A 94 12.681 -23.510 7.022 1.00 0.00 C ATOM 1473 O GLY A 94 13.352 -24.551 7.038 1.00 0.00 O ATOM 0 H GLY A 94 10.756 -21.366 5.663 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.996 -23.587 5.699 1.00 0.00 H new ATOM 0 HA3 GLY A 94 12.539 -23.413 4.886 1.00 0.00 H new ATOM 1477 N SER A 95 12.546 -22.701 8.087 1.00 0.00 N ATOM 1478 CA SER A 95 13.143 -22.988 9.397 1.00 0.00 C ATOM 1479 C SER A 95 12.174 -23.900 10.203 1.00 0.00 C ATOM 1480 O SER A 95 12.257 -25.143 10.061 1.00 0.00 O ATOM 1481 CB SER A 95 13.458 -21.651 10.134 1.00 0.00 C ATOM 1482 OG SER A 95 14.067 -21.874 11.398 1.00 0.00 O ATOM 1483 OXT SER A 95 11.314 -23.380 10.949 1.00 0.00 O ATOM 0 H SER A 95 12.018 -21.829 8.061 1.00 0.00 H new ATOM 0 HA SER A 95 14.087 -23.521 9.285 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.117 -21.042 9.516 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.536 -21.085 10.270 1.00 0.00 H new ATOM 0 HG SER A 95 14.251 -21.013 11.829 1.00 0.00 H new TER 1489 SER A 95