USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 697 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 41 ASN : amide:sc= 1.04 K(o=1.3,f=0.67) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.268 USER MOD Set 2.1: A 16 SER OG : rot 150:sc= 0.00857 USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot -100:sc= -0.0265 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot -153:sc= 0.0486 USER MOD Single : A 27 SER OG : rot -21:sc= 0.0815 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 154:sc=0.000364 USER MOD Single : A 34 TYR OH : rot -179:sc= 0.00106 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 37 ASN : amide:sc= -0.0288 X(o=-0.029,f=-0.43) USER MOD Single : A 39 THR OG1 : rot -150:sc= 0.0715 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=-0.00863 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 120:sc= 1.29 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 84 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A 89 ASN : amide:sc= 0.244! X(o=0.24!,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 75 N VAL A 6 6.567 -9.931 -9.327 1.00 0.00 N ATOM 76 CA VAL A 6 6.046 -10.491 -10.586 1.00 0.00 C ATOM 77 C VAL A 6 7.064 -10.400 -11.744 1.00 0.00 C ATOM 78 O VAL A 6 7.352 -11.446 -12.337 1.00 0.00 O ATOM 79 CB VAL A 6 4.669 -9.870 -10.921 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.188 -10.184 -12.343 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.607 -10.395 -9.947 1.00 0.00 C ATOM 0 HA VAL A 6 5.890 -11.560 -10.444 1.00 0.00 H new ATOM 0 HB VAL A 6 4.801 -8.791 -10.835 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.217 -9.718 -12.510 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.906 -9.794 -13.064 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.098 -11.263 -12.467 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.641 -9.953 -10.190 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.541 -11.480 -10.031 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.883 -10.126 -8.928 1.00 0.00 H new ATOM 91 N PRO A 7 7.638 -9.224 -12.086 1.00 0.00 N ATOM 92 CA PRO A 7 8.666 -9.121 -13.126 1.00 0.00 C ATOM 93 C PRO A 7 10.070 -9.507 -12.619 1.00 0.00 C ATOM 94 O PRO A 7 10.320 -9.638 -11.417 1.00 0.00 O ATOM 95 CB PRO A 7 8.620 -7.663 -13.587 1.00 0.00 C ATOM 96 CG PRO A 7 8.297 -6.934 -12.285 1.00 0.00 C ATOM 97 CD PRO A 7 7.315 -7.886 -11.598 1.00 0.00 C ATOM 0 HA PRO A 7 8.468 -9.819 -13.939 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.570 -7.339 -14.013 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.857 -7.499 -14.348 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.190 -6.769 -11.682 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.851 -5.956 -12.469 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.414 -7.832 -10.514 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.285 -7.622 -11.837 1.00 0.00 H new ATOM 105 N GLY A 8 11.004 -9.646 -13.565 1.00 0.00 N ATOM 106 CA GLY A 8 12.431 -9.906 -13.318 1.00 0.00 C ATOM 107 C GLY A 8 13.093 -10.768 -14.405 1.00 0.00 C ATOM 108 O GLY A 8 12.461 -11.677 -14.945 1.00 0.00 O ATOM 0 H GLY A 8 10.783 -9.579 -14.558 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.959 -8.955 -13.248 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.540 -10.403 -12.354 1.00 0.00 H new ATOM 112 N LEU A 9 14.362 -10.477 -14.736 1.00 0.00 N ATOM 113 CA LEU A 9 15.161 -11.244 -15.712 1.00 0.00 C ATOM 114 C LEU A 9 16.662 -11.355 -15.356 1.00 0.00 C ATOM 115 O LEU A 9 17.519 -11.388 -16.240 1.00 0.00 O ATOM 116 CB LEU A 9 14.845 -10.787 -17.161 1.00 0.00 C ATOM 117 CG LEU A 9 15.007 -9.299 -17.535 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.452 -8.822 -17.643 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.352 -9.037 -18.891 1.00 0.00 C ATOM 0 H LEU A 9 14.871 -9.692 -14.329 1.00 0.00 H new ATOM 0 HA LEU A 9 14.844 -12.285 -15.653 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.480 -11.365 -17.833 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.814 -11.069 -17.376 1.00 0.00 H new ATOM 0 HG LEU A 9 14.535 -8.751 -16.719 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.467 -7.765 -17.910 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.954 -8.962 -16.686 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.969 -9.397 -18.411 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.467 -7.985 -19.154 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.829 -9.655 -19.651 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.292 -9.283 -18.836 1.00 0.00 H new ATOM 131 N LEU A 10 16.986 -11.452 -14.054 1.00 0.00 N ATOM 132 CA LEU A 10 18.351 -11.742 -13.594 1.00 0.00 C ATOM 133 C LEU A 10 18.798 -13.089 -14.181 1.00 0.00 C ATOM 134 O LEU A 10 18.158 -14.120 -13.950 1.00 0.00 O ATOM 135 CB LEU A 10 18.444 -11.766 -12.052 1.00 0.00 C ATOM 136 CG LEU A 10 18.453 -10.378 -11.381 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.839 -10.446 -9.982 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.873 -9.831 -11.208 1.00 0.00 C ATOM 0 H LEU A 10 16.312 -11.332 -13.298 1.00 0.00 H new ATOM 0 HA LEU A 10 19.012 -10.947 -13.940 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.602 -12.337 -11.661 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.351 -12.298 -11.765 1.00 0.00 H new ATOM 0 HG LEU A 10 17.877 -9.727 -12.038 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.856 -9.455 -9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.809 -10.794 -10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.414 -11.137 -9.366 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.830 -8.852 -10.731 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.452 -10.513 -10.585 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.349 -9.739 -12.184 1.00 0.00 H new ATOM 150 N THR A 11 19.904 -13.058 -14.923 1.00 0.00 N ATOM 151 CA THR A 11 20.557 -14.244 -15.486 1.00 0.00 C ATOM 152 C THR A 11 21.999 -14.335 -15.002 1.00 0.00 C ATOM 153 O THR A 11 22.727 -13.342 -14.962 1.00 0.00 O ATOM 154 CB THR A 11 20.467 -14.264 -17.024 1.00 0.00 C ATOM 155 OG1 THR A 11 19.119 -14.451 -17.413 1.00 0.00 O ATOM 156 CG2 THR A 11 21.281 -15.384 -17.679 1.00 0.00 C ATOM 0 H THR A 11 20.384 -12.189 -15.156 1.00 0.00 H new ATOM 0 HA THR A 11 20.026 -15.127 -15.130 1.00 0.00 H new ATOM 0 HB THR A 11 20.874 -13.309 -17.356 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.059 -14.462 -18.391 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.167 -15.332 -18.762 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.333 -15.269 -17.419 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.923 -16.350 -17.323 1.00 0.00 H new ATOM 164 N ASP A 12 22.424 -15.546 -14.652 1.00 0.00 N ATOM 165 CA ASP A 12 23.789 -15.899 -14.276 1.00 0.00 C ATOM 166 C ASP A 12 24.712 -15.967 -15.510 1.00 0.00 C ATOM 167 O ASP A 12 25.206 -17.030 -15.895 1.00 0.00 O ATOM 168 CB ASP A 12 23.775 -17.191 -13.436 1.00 0.00 C ATOM 169 CG ASP A 12 23.199 -18.426 -14.164 1.00 0.00 C ATOM 170 OD1 ASP A 12 22.055 -18.360 -14.680 1.00 0.00 O ATOM 171 OD2 ASP A 12 23.860 -19.493 -14.164 1.00 0.00 O ATOM 0 H ASP A 12 21.794 -16.347 -14.622 1.00 0.00 H new ATOM 0 HA ASP A 12 24.213 -15.115 -13.648 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.794 -17.414 -13.120 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.193 -17.014 -12.532 1.00 0.00 H new ATOM 176 N HIS A 13 24.962 -14.812 -16.144 1.00 0.00 N ATOM 177 CA HIS A 13 25.898 -14.696 -17.282 1.00 0.00 C ATOM 178 C HIS A 13 27.378 -14.817 -16.860 1.00 0.00 C ATOM 179 O HIS A 13 28.286 -14.691 -17.682 1.00 0.00 O ATOM 180 CB HIS A 13 25.657 -13.375 -18.042 1.00 0.00 C ATOM 181 CG HIS A 13 25.598 -13.547 -19.541 1.00 0.00 C ATOM 182 ND1 HIS A 13 26.625 -13.242 -20.441 1.00 0.00 N ATOM 183 CD2 HIS A 13 24.529 -14.032 -20.238 1.00 0.00 C ATOM 184 CE1 HIS A 13 26.148 -13.551 -21.660 1.00 0.00 C ATOM 185 NE2 HIS A 13 24.893 -14.028 -21.567 1.00 0.00 N ATOM 0 H HIS A 13 24.523 -13.929 -15.885 1.00 0.00 H new ATOM 0 HA HIS A 13 25.694 -15.537 -17.945 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.723 -12.932 -17.698 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.453 -12.672 -17.796 1.00 0.00 H new ATOM 0 HD2 HIS A 13 23.584 -14.355 -19.828 1.00 0.00 H new ATOM 0 HE1 HIS A 13 26.695 -13.433 -22.584 1.00 0.00 H new ATOM 0 HE2 HIS A 13 24.311 -14.334 -22.347 1.00 0.00 H new ATOM 193 N THR A 14 27.634 -14.999 -15.562 1.00 0.00 N ATOM 194 CA THR A 14 28.937 -14.832 -14.924 1.00 0.00 C ATOM 195 C THR A 14 29.739 -16.143 -14.839 1.00 0.00 C ATOM 196 O THR A 14 29.173 -17.212 -14.601 1.00 0.00 O ATOM 197 CB THR A 14 28.754 -14.160 -13.552 1.00 0.00 C ATOM 198 OG1 THR A 14 27.884 -14.909 -12.740 1.00 0.00 O ATOM 199 CG2 THR A 14 28.114 -12.774 -13.635 1.00 0.00 C ATOM 0 H THR A 14 26.908 -15.278 -14.902 1.00 0.00 H new ATOM 0 HA THR A 14 29.542 -14.179 -15.553 1.00 0.00 H new ATOM 0 HB THR A 14 29.764 -14.091 -13.147 1.00 0.00 H new ATOM 0 HG1 THR A 14 26.992 -14.505 -12.757 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.015 -12.358 -12.632 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.742 -12.119 -14.239 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.128 -12.855 -14.093 1.00 0.00 H new ATOM 207 N VAL A 15 31.064 -16.081 -15.062 1.00 0.00 N ATOM 208 CA VAL A 15 31.951 -17.266 -15.190 1.00 0.00 C ATOM 209 C VAL A 15 33.309 -17.105 -14.464 1.00 0.00 C ATOM 210 O VAL A 15 34.357 -17.585 -14.904 1.00 0.00 O ATOM 211 CB VAL A 15 32.030 -17.707 -16.674 1.00 0.00 C ATOM 212 CG1 VAL A 15 32.802 -16.764 -17.603 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.531 -19.146 -16.852 1.00 0.00 C ATOM 0 H VAL A 15 31.562 -15.196 -15.161 1.00 0.00 H new ATOM 0 HA VAL A 15 31.504 -18.099 -14.647 1.00 0.00 H new ATOM 0 HB VAL A 15 30.988 -17.656 -16.988 1.00 0.00 H new ATOM 0 HG11 VAL A 15 32.796 -17.166 -18.616 1.00 0.00 H new ATOM 0 HG12 VAL A 15 32.329 -15.782 -17.600 1.00 0.00 H new ATOM 0 HG13 VAL A 15 33.831 -16.672 -17.255 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.563 -19.392 -17.914 1.00 0.00 H new ATOM 0 HG22 VAL A 15 33.531 -19.238 -16.428 1.00 0.00 H new ATOM 0 HG23 VAL A 15 31.856 -19.832 -16.341 1.00 0.00 H new ATOM 223 N SER A 16 33.281 -16.453 -13.296 1.00 0.00 N ATOM 224 CA SER A 16 34.450 -16.166 -12.438 1.00 0.00 C ATOM 225 C SER A 16 34.228 -16.679 -11.012 1.00 0.00 C ATOM 226 O SER A 16 33.099 -16.666 -10.533 1.00 0.00 O ATOM 227 CB SER A 16 34.713 -14.655 -12.455 1.00 0.00 C ATOM 228 OG SER A 16 35.353 -14.230 -11.263 1.00 0.00 O ATOM 0 H SER A 16 32.411 -16.094 -12.902 1.00 0.00 H new ATOM 0 HA SER A 16 35.325 -16.688 -12.826 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.334 -14.401 -13.314 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.770 -14.121 -12.575 1.00 0.00 H new ATOM 0 HG SER A 16 35.920 -13.454 -11.455 1.00 0.00 H new ATOM 234 N SER A 17 35.288 -17.055 -10.287 1.00 0.00 N ATOM 235 CA SER A 17 35.193 -17.527 -8.891 1.00 0.00 C ATOM 236 C SER A 17 34.539 -16.501 -7.947 1.00 0.00 C ATOM 237 O SER A 17 33.809 -16.881 -7.032 1.00 0.00 O ATOM 238 CB SER A 17 36.587 -17.883 -8.359 1.00 0.00 C ATOM 239 OG SER A 17 37.216 -18.837 -9.207 1.00 0.00 O ATOM 0 H SER A 17 36.242 -17.042 -10.649 1.00 0.00 H new ATOM 0 HA SER A 17 34.552 -18.408 -8.908 1.00 0.00 H new ATOM 0 HB2 SER A 17 37.199 -16.983 -8.297 1.00 0.00 H new ATOM 0 HB3 SER A 17 36.506 -18.284 -7.349 1.00 0.00 H new ATOM 0 HG SER A 17 38.105 -19.052 -8.855 1.00 0.00 H new ATOM 245 N ILE A 18 34.750 -15.199 -8.201 1.00 0.00 N ATOM 246 CA ILE A 18 34.046 -14.083 -7.534 1.00 0.00 C ATOM 247 C ILE A 18 32.796 -13.643 -8.308 1.00 0.00 C ATOM 248 O ILE A 18 31.753 -13.421 -7.703 1.00 0.00 O ATOM 249 CB ILE A 18 34.986 -12.880 -7.252 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.082 -12.742 -8.329 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.587 -12.999 -5.843 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.812 -11.410 -8.397 1.00 0.00 C ATOM 0 H ILE A 18 35.430 -14.882 -8.892 1.00 0.00 H new ATOM 0 HA ILE A 18 33.713 -14.465 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 18 34.392 -11.967 -7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.821 -13.526 -8.164 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.628 -12.931 -9.302 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.245 -12.150 -5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.785 -13.007 -5.105 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.158 -13.924 -5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.555 -11.443 -9.194 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.097 -10.613 -8.601 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.308 -11.218 -7.446 1.00 0.00 H new ATOM 264 N GLY A 19 32.839 -13.544 -9.641 1.00 0.00 N ATOM 265 CA GLY A 19 31.686 -13.057 -10.424 1.00 0.00 C ATOM 266 C GLY A 19 30.466 -13.992 -10.392 1.00 0.00 C ATOM 267 O GLY A 19 29.328 -13.527 -10.423 1.00 0.00 O ATOM 0 H GLY A 19 33.653 -13.792 -10.203 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.391 -12.079 -10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 19 31.996 -12.918 -11.460 1.00 0.00 H new ATOM 271 N HIS A 20 30.682 -15.303 -10.254 1.00 0.00 N ATOM 272 CA HIS A 20 29.629 -16.303 -10.029 1.00 0.00 C ATOM 273 C HIS A 20 28.952 -16.113 -8.663 1.00 0.00 C ATOM 274 O HIS A 20 27.731 -16.230 -8.550 1.00 0.00 O ATOM 275 CB HIS A 20 30.236 -17.709 -10.135 1.00 0.00 C ATOM 276 CG HIS A 20 29.240 -18.827 -9.940 1.00 0.00 C ATOM 277 ND1 HIS A 20 28.408 -19.359 -10.929 1.00 0.00 N ATOM 278 CD2 HIS A 20 29.036 -19.511 -8.776 1.00 0.00 C ATOM 279 CE1 HIS A 20 27.722 -20.353 -10.338 1.00 0.00 C ATOM 280 NE2 HIS A 20 28.079 -20.466 -9.046 1.00 0.00 N ATOM 0 H HIS A 20 31.616 -15.711 -10.296 1.00 0.00 H new ATOM 0 HA HIS A 20 28.861 -16.175 -10.792 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.702 -17.819 -11.114 1.00 0.00 H new ATOM 0 HB3 HIS A 20 31.027 -17.808 -9.392 1.00 0.00 H new ATOM 0 HD2 HIS A 20 29.528 -19.338 -7.830 1.00 0.00 H new ATOM 0 HE1 HIS A 20 26.988 -20.973 -10.831 1.00 0.00 H new ATOM 0 HE2 HIS A 20 27.706 -21.142 -8.380 1.00 0.00 H new ATOM 288 N ASP A 21 29.722 -15.745 -7.634 1.00 0.00 N ATOM 289 CA ASP A 21 29.188 -15.452 -6.304 1.00 0.00 C ATOM 290 C ASP A 21 28.468 -14.097 -6.276 1.00 0.00 C ATOM 291 O ASP A 21 27.443 -13.984 -5.605 1.00 0.00 O ATOM 292 CB ASP A 21 30.304 -15.515 -5.247 1.00 0.00 C ATOM 293 CG ASP A 21 30.750 -16.941 -4.859 1.00 0.00 C ATOM 294 OD1 ASP A 21 31.695 -17.058 -4.039 1.00 0.00 O ATOM 295 OD2 ASP A 21 30.146 -17.947 -5.305 1.00 0.00 O ATOM 0 H ASP A 21 30.735 -15.642 -7.702 1.00 0.00 H new ATOM 0 HA ASP A 21 28.449 -16.215 -6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.170 -14.968 -5.620 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.964 -14.999 -4.349 1.00 0.00 H new ATOM 300 N PHE A 22 28.936 -13.083 -7.028 1.00 0.00 N ATOM 301 CA PHE A 22 28.253 -11.785 -7.134 1.00 0.00 C ATOM 302 C PHE A 22 26.809 -11.957 -7.591 1.00 0.00 C ATOM 303 O PHE A 22 25.927 -11.344 -7.006 1.00 0.00 O ATOM 304 CB PHE A 22 28.988 -10.842 -8.100 1.00 0.00 C ATOM 305 CG PHE A 22 28.375 -9.449 -8.179 1.00 0.00 C ATOM 306 CD1 PHE A 22 28.852 -8.393 -7.378 1.00 0.00 C ATOM 307 CD2 PHE A 22 27.291 -9.217 -9.044 1.00 0.00 C ATOM 308 CE1 PHE A 22 28.274 -7.113 -7.474 1.00 0.00 C ATOM 309 CE2 PHE A 22 26.690 -7.949 -9.120 1.00 0.00 C ATOM 310 CZ PHE A 22 27.194 -6.892 -8.346 1.00 0.00 C ATOM 0 H PHE A 22 29.794 -13.142 -7.576 1.00 0.00 H new ATOM 0 HA PHE A 22 28.258 -11.341 -6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.029 -10.755 -7.787 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.990 -11.286 -9.096 1.00 0.00 H new ATOM 0 HD1 PHE A 22 29.664 -8.566 -6.688 1.00 0.00 H new ATOM 0 HD2 PHE A 22 26.916 -10.023 -9.657 1.00 0.00 H new ATOM 0 HE1 PHE A 22 28.661 -6.300 -6.877 1.00 0.00 H new ATOM 0 HE2 PHE A 22 25.844 -7.788 -9.771 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.752 -5.909 -8.420 1.00 0.00 H new ATOM 320 N TYR A 23 26.555 -12.816 -8.584 1.00 0.00 N ATOM 321 CA TYR A 23 25.195 -13.112 -9.047 1.00 0.00 C ATOM 322 C TYR A 23 24.267 -13.509 -7.886 1.00 0.00 C ATOM 323 O TYR A 23 23.232 -12.873 -7.668 1.00 0.00 O ATOM 324 CB TYR A 23 25.225 -14.219 -10.112 1.00 0.00 C ATOM 325 CG TYR A 23 23.829 -14.586 -10.572 1.00 0.00 C ATOM 326 CD1 TYR A 23 23.169 -15.701 -10.021 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.150 -13.739 -11.464 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.821 -15.955 -10.340 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.800 -13.977 -11.773 1.00 0.00 C ATOM 330 CZ TYR A 23 21.130 -15.086 -11.214 1.00 0.00 C ATOM 331 OH TYR A 23 19.824 -15.307 -11.522 1.00 0.00 O ATOM 0 H TYR A 23 27.283 -13.324 -9.087 1.00 0.00 H new ATOM 0 HA TYR A 23 24.792 -12.201 -9.489 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.815 -13.887 -10.966 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.719 -15.102 -9.707 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.698 -16.363 -9.352 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.667 -12.904 -11.913 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.317 -16.812 -9.918 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.274 -13.310 -12.440 1.00 0.00 H new ATOM 0 HH TYR A 23 19.627 -14.927 -12.404 1.00 0.00 H new ATOM 341 N ARG A 24 24.677 -14.524 -7.111 1.00 0.00 N ATOM 342 CA ARG A 24 23.884 -15.092 -6.010 1.00 0.00 C ATOM 343 C ARG A 24 23.744 -14.110 -4.846 1.00 0.00 C ATOM 344 O ARG A 24 22.647 -13.900 -4.332 1.00 0.00 O ATOM 345 CB ARG A 24 24.506 -16.417 -5.535 1.00 0.00 C ATOM 346 CG ARG A 24 24.603 -17.447 -6.671 1.00 0.00 C ATOM 347 CD ARG A 24 24.886 -18.854 -6.131 1.00 0.00 C ATOM 348 NE ARG A 24 24.822 -19.865 -7.208 1.00 0.00 N ATOM 349 CZ ARG A 24 24.914 -21.175 -7.065 1.00 0.00 C ATOM 350 NH1 ARG A 24 25.150 -21.732 -5.910 1.00 0.00 N ATOM 351 NH2 ARG A 24 24.779 -21.963 -8.094 1.00 0.00 N ATOM 0 H ARG A 24 25.581 -14.980 -7.233 1.00 0.00 H new ATOM 0 HA ARG A 24 22.881 -15.289 -6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.501 -16.227 -5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.907 -16.828 -4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.672 -17.454 -7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.394 -17.155 -7.362 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.872 -18.876 -5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 24 24.162 -19.100 -5.354 1.00 0.00 H new ATOM 0 HE ARG A 24 24.694 -19.516 -8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 24 25.270 -21.152 -5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 24 25.214 -22.747 -5.837 1.00 0.00 H new ATOM 0 HH21 ARG A 24 24.601 -21.569 -9.018 1.00 0.00 H new ATOM 0 HH22 ARG A 24 24.851 -22.974 -7.975 1.00 0.00 H new ATOM 365 N ALA A 25 24.846 -13.464 -4.467 1.00 0.00 N ATOM 366 CA ALA A 25 24.866 -12.475 -3.394 1.00 0.00 C ATOM 367 C ALA A 25 24.030 -11.234 -3.738 1.00 0.00 C ATOM 368 O ALA A 25 23.267 -10.766 -2.899 1.00 0.00 O ATOM 369 CB ALA A 25 26.325 -12.113 -3.100 1.00 0.00 C ATOM 0 H ALA A 25 25.757 -13.615 -4.901 1.00 0.00 H new ATOM 0 HA ALA A 25 24.408 -12.902 -2.502 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.362 -11.374 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.867 -13.008 -2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.785 -11.700 -3.997 1.00 0.00 H new ATOM 375 N PHE A 26 24.114 -10.721 -4.967 1.00 0.00 N ATOM 376 CA PHE A 26 23.300 -9.594 -5.419 1.00 0.00 C ATOM 377 C PHE A 26 21.811 -9.960 -5.378 1.00 0.00 C ATOM 378 O PHE A 26 21.031 -9.261 -4.736 1.00 0.00 O ATOM 379 CB PHE A 26 23.764 -9.156 -6.820 1.00 0.00 C ATOM 380 CG PHE A 26 22.976 -8.015 -7.449 1.00 0.00 C ATOM 381 CD1 PHE A 26 23.541 -6.727 -7.550 1.00 0.00 C ATOM 382 CD2 PHE A 26 21.684 -8.242 -7.967 1.00 0.00 C ATOM 383 CE1 PHE A 26 22.820 -5.682 -8.160 1.00 0.00 C ATOM 384 CE2 PHE A 26 20.956 -7.195 -8.550 1.00 0.00 C ATOM 385 CZ PHE A 26 21.525 -5.917 -8.654 1.00 0.00 C ATOM 0 H PHE A 26 24.752 -11.078 -5.679 1.00 0.00 H new ATOM 0 HA PHE A 26 23.432 -8.746 -4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.811 -8.860 -6.760 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.714 -10.018 -7.485 1.00 0.00 H new ATOM 0 HD1 PHE A 26 24.530 -6.541 -7.158 1.00 0.00 H new ATOM 0 HD2 PHE A 26 21.252 -9.230 -7.914 1.00 0.00 H new ATOM 0 HE1 PHE A 26 23.262 -4.701 -8.248 1.00 0.00 H new ATOM 0 HE2 PHE A 26 19.957 -7.373 -8.919 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.968 -5.114 -9.114 1.00 0.00 H new ATOM 395 N SER A 27 21.412 -11.077 -5.997 1.00 0.00 N ATOM 396 CA SER A 27 19.999 -11.479 -6.082 1.00 0.00 C ATOM 397 C SER A 27 19.385 -11.815 -4.712 1.00 0.00 C ATOM 398 O SER A 27 18.192 -11.583 -4.504 1.00 0.00 O ATOM 399 CB SER A 27 19.809 -12.644 -7.058 1.00 0.00 C ATOM 400 OG SER A 27 20.375 -13.846 -6.563 1.00 0.00 O ATOM 0 H SER A 27 22.054 -11.726 -6.452 1.00 0.00 H new ATOM 0 HA SER A 27 19.462 -10.611 -6.464 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.745 -12.793 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.267 -12.394 -8.015 1.00 0.00 H new ATOM 0 HG SER A 27 21.053 -13.635 -5.888 1.00 0.00 H new ATOM 406 N ASP A 28 20.191 -12.278 -3.750 1.00 0.00 N ATOM 407 CA ASP A 28 19.778 -12.533 -2.366 1.00 0.00 C ATOM 408 C ASP A 28 19.347 -11.259 -1.610 1.00 0.00 C ATOM 409 O ASP A 28 18.444 -11.340 -0.771 1.00 0.00 O ATOM 410 CB ASP A 28 20.925 -13.222 -1.600 1.00 0.00 C ATOM 411 CG ASP A 28 20.971 -14.760 -1.730 1.00 0.00 C ATOM 412 OD1 ASP A 28 19.936 -15.403 -2.039 1.00 0.00 O ATOM 413 OD2 ASP A 28 22.038 -15.350 -1.427 1.00 0.00 O ATOM 0 H ASP A 28 21.174 -12.491 -3.917 1.00 0.00 H new ATOM 0 HA ASP A 28 18.903 -13.181 -2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.872 -12.815 -1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.841 -12.965 -0.544 1.00 0.00 H new ATOM 418 N LYS A 29 19.957 -10.095 -1.899 1.00 0.00 N ATOM 419 CA LYS A 29 19.595 -8.791 -1.291 1.00 0.00 C ATOM 420 C LYS A 29 18.935 -7.781 -2.250 1.00 0.00 C ATOM 421 O LYS A 29 18.578 -6.678 -1.830 1.00 0.00 O ATOM 422 CB LYS A 29 20.736 -8.183 -0.434 1.00 0.00 C ATOM 423 CG LYS A 29 22.190 -8.598 -0.735 1.00 0.00 C ATOM 424 CD LYS A 29 22.660 -9.913 -0.079 1.00 0.00 C ATOM 425 CE LYS A 29 22.638 -9.852 1.459 1.00 0.00 C ATOM 426 NZ LYS A 29 23.164 -11.102 2.081 1.00 0.00 N ATOM 0 H LYS A 29 20.724 -10.027 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 29 18.794 -9.036 -0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.676 -7.099 -0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.532 -8.427 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.306 -8.691 -1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.852 -7.795 -0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.022 -10.730 -0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.672 -10.140 -0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.233 -9.003 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.617 -9.681 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 23.130 -11.015 3.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.582 -11.910 1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 24.147 -11.253 1.778 1.00 0.00 H new ATOM 440 N TRP A 30 18.722 -8.145 -3.514 1.00 0.00 N ATOM 441 CA TRP A 30 18.067 -7.297 -4.514 1.00 0.00 C ATOM 442 C TRP A 30 16.608 -6.960 -4.151 1.00 0.00 C ATOM 443 O TRP A 30 15.810 -7.839 -3.815 1.00 0.00 O ATOM 444 CB TRP A 30 18.148 -7.949 -5.900 1.00 0.00 C ATOM 445 CG TRP A 30 17.512 -7.140 -6.984 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.458 -7.520 -7.741 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.831 -5.778 -7.403 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.106 -6.493 -8.596 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.914 -5.390 -8.422 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.797 -4.827 -7.011 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.956 -4.126 -9.027 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.835 -3.549 -7.596 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.920 -3.195 -8.604 1.00 0.00 C ATOM 0 H TRP A 30 19.004 -9.054 -3.880 1.00 0.00 H new ATOM 0 HA TRP A 30 18.607 -6.350 -4.531 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.195 -8.117 -6.152 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.668 -8.927 -5.860 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.966 -8.480 -7.686 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.343 -6.545 -9.271 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.518 -5.085 -6.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.256 -3.871 -9.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.574 -2.832 -7.268 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.958 -2.212 -9.051 1.00 0.00 H new ATOM 464 N GLU A 31 16.266 -5.672 -4.242 1.00 0.00 N ATOM 465 CA GLU A 31 14.922 -5.111 -4.056 1.00 0.00 C ATOM 466 C GLU A 31 14.847 -3.746 -4.770 1.00 0.00 C ATOM 467 O GLU A 31 15.802 -2.966 -4.708 1.00 0.00 O ATOM 468 CB GLU A 31 14.624 -4.960 -2.552 1.00 0.00 C ATOM 469 CG GLU A 31 13.189 -4.498 -2.273 1.00 0.00 C ATOM 470 CD GLU A 31 12.907 -4.479 -0.758 1.00 0.00 C ATOM 471 OE1 GLU A 31 12.381 -5.484 -0.218 1.00 0.00 O ATOM 472 OE2 GLU A 31 13.202 -3.455 -0.092 1.00 0.00 O ATOM 0 H GLU A 31 16.956 -4.952 -4.459 1.00 0.00 H new ATOM 0 HA GLU A 31 14.174 -5.778 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.796 -5.914 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.322 -4.244 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.035 -3.502 -2.689 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.484 -5.164 -2.771 1.00 0.00 H new ATOM 479 N SER A 32 13.736 -3.453 -5.460 1.00 0.00 N ATOM 480 CA SER A 32 13.589 -2.224 -6.262 1.00 0.00 C ATOM 481 C SER A 32 12.137 -1.736 -6.410 1.00 0.00 C ATOM 482 O SER A 32 11.183 -2.496 -6.225 1.00 0.00 O ATOM 483 CB SER A 32 14.228 -2.431 -7.638 1.00 0.00 C ATOM 484 OG SER A 32 13.528 -3.382 -8.426 1.00 0.00 O ATOM 0 H SER A 32 12.915 -4.057 -5.480 1.00 0.00 H new ATOM 0 HA SER A 32 14.106 -1.435 -5.716 1.00 0.00 H new ATOM 0 HB2 SER A 32 14.260 -1.479 -8.167 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.260 -2.759 -7.510 1.00 0.00 H new ATOM 0 HG SER A 32 13.679 -3.194 -9.376 1.00 0.00 H new ATOM 490 N ASP A 33 11.974 -0.449 -6.751 1.00 0.00 N ATOM 491 CA ASP A 33 10.665 0.219 -6.910 1.00 0.00 C ATOM 492 C ASP A 33 10.170 0.307 -8.373 1.00 0.00 C ATOM 493 O ASP A 33 9.028 0.705 -8.617 1.00 0.00 O ATOM 494 CB ASP A 33 10.730 1.613 -6.268 1.00 0.00 C ATOM 495 CG ASP A 33 10.910 1.530 -4.742 1.00 0.00 C ATOM 496 OD1 ASP A 33 9.928 1.201 -4.033 1.00 0.00 O ATOM 497 OD2 ASP A 33 12.028 1.807 -4.244 1.00 0.00 O ATOM 0 H ASP A 33 12.763 0.173 -6.929 1.00 0.00 H new ATOM 0 HA ASP A 33 9.928 -0.402 -6.401 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.557 2.175 -6.702 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.817 2.162 -6.497 1.00 0.00 H new ATOM 502 N TYR A 34 11.011 -0.066 -9.347 1.00 0.00 N ATOM 503 CA TYR A 34 10.697 -0.114 -10.778 1.00 0.00 C ATOM 504 C TYR A 34 10.388 -1.559 -11.240 1.00 0.00 C ATOM 505 O TYR A 34 10.175 -2.461 -10.427 1.00 0.00 O ATOM 506 CB TYR A 34 11.837 0.573 -11.560 1.00 0.00 C ATOM 507 CG TYR A 34 13.080 -0.267 -11.789 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.349 -0.819 -13.058 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.961 -0.516 -10.723 1.00 0.00 C ATOM 510 CE1 TYR A 34 14.450 -1.675 -13.238 1.00 0.00 C ATOM 511 CE2 TYR A 34 15.058 -1.380 -10.896 1.00 0.00 C ATOM 512 CZ TYR A 34 15.300 -1.971 -12.152 1.00 0.00 C ATOM 513 OH TYR A 34 16.356 -2.809 -12.317 1.00 0.00 O ATOM 0 H TYR A 34 11.969 -0.354 -9.149 1.00 0.00 H new ATOM 0 HA TYR A 34 9.782 0.440 -10.986 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.450 0.887 -12.529 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.126 1.477 -11.024 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.708 -0.584 -13.894 1.00 0.00 H new ATOM 0 HD2 TYR A 34 13.795 -0.042 -9.767 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.645 -2.106 -14.209 1.00 0.00 H new ATOM 0 HE2 TYR A 34 15.715 -1.590 -10.065 1.00 0.00 H new ATOM 0 HH TYR A 34 16.827 -2.914 -11.464 1.00 0.00 H new ATOM 523 N THR A 35 10.361 -1.797 -12.556 1.00 0.00 N ATOM 524 CA THR A 35 9.996 -3.085 -13.183 1.00 0.00 C ATOM 525 C THR A 35 11.066 -4.182 -13.024 1.00 0.00 C ATOM 526 O THR A 35 10.832 -5.321 -13.409 1.00 0.00 O ATOM 527 CB THR A 35 9.649 -2.876 -14.676 1.00 0.00 C ATOM 528 OG1 THR A 35 9.165 -1.563 -14.913 1.00 0.00 O ATOM 529 CG2 THR A 35 8.559 -3.834 -15.163 1.00 0.00 C ATOM 0 H THR A 35 10.599 -1.080 -13.241 1.00 0.00 H new ATOM 0 HA THR A 35 9.118 -3.445 -12.647 1.00 0.00 H new ATOM 0 HB THR A 35 10.579 -3.060 -15.214 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.955 -1.458 -15.865 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.353 -3.645 -16.217 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.896 -4.863 -15.038 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.650 -3.677 -14.582 1.00 0.00 H new ATOM 537 N GLY A 36 12.246 -3.886 -12.464 1.00 0.00 N ATOM 538 CA GLY A 36 13.248 -4.896 -12.074 1.00 0.00 C ATOM 539 C GLY A 36 13.853 -5.719 -13.215 1.00 0.00 C ATOM 540 O GLY A 36 14.338 -6.828 -12.999 1.00 0.00 O ATOM 0 H GLY A 36 12.538 -2.929 -12.265 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.058 -4.391 -11.548 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.786 -5.582 -11.364 1.00 0.00 H new ATOM 544 N ASN A 37 13.828 -5.201 -14.444 1.00 0.00 N ATOM 545 CA ASN A 37 14.301 -5.919 -15.634 1.00 0.00 C ATOM 546 C ASN A 37 15.819 -5.778 -15.837 1.00 0.00 C ATOM 547 O ASN A 37 16.279 -5.144 -16.783 1.00 0.00 O ATOM 548 CB ASN A 37 13.499 -5.490 -16.871 1.00 0.00 C ATOM 549 CG ASN A 37 12.000 -5.710 -16.778 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.212 -4.790 -16.928 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.552 -6.926 -16.555 1.00 0.00 N ATOM 0 H ASN A 37 13.477 -4.265 -14.646 1.00 0.00 H new ATOM 0 HA ASN A 37 14.125 -6.983 -15.477 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.684 -4.432 -17.055 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.877 -6.035 -17.736 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.548 -7.099 -16.508 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.209 -7.696 -16.429 1.00 0.00 H new ATOM 558 N LEU A 38 16.600 -6.372 -14.936 1.00 0.00 N ATOM 559 CA LEU A 38 18.072 -6.315 -14.932 1.00 0.00 C ATOM 560 C LEU A 38 18.763 -7.680 -14.992 1.00 0.00 C ATOM 561 O LEU A 38 18.225 -8.668 -14.502 1.00 0.00 O ATOM 562 CB LEU A 38 18.589 -5.486 -13.743 1.00 0.00 C ATOM 563 CG LEU A 38 18.683 -6.203 -12.376 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.221 -5.236 -11.337 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.352 -6.711 -11.834 1.00 0.00 C ATOM 0 H LEU A 38 16.222 -6.923 -14.165 1.00 0.00 H new ATOM 0 HA LEU A 38 18.342 -5.816 -15.863 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.580 -5.110 -13.997 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.939 -4.619 -13.627 1.00 0.00 H new ATOM 0 HG LEU A 38 19.331 -7.062 -12.551 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.288 -5.739 -10.372 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.211 -4.893 -11.637 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.550 -4.381 -11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.513 -7.200 -10.873 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.668 -5.872 -11.705 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.922 -7.425 -12.536 1.00 0.00 H new ATOM 577 N THR A 39 19.984 -7.712 -15.527 1.00 0.00 N ATOM 578 CA THR A 39 20.854 -8.898 -15.566 1.00 0.00 C ATOM 579 C THR A 39 22.315 -8.546 -15.260 1.00 0.00 C ATOM 580 O THR A 39 22.713 -7.381 -15.329 1.00 0.00 O ATOM 581 CB THR A 39 20.702 -9.636 -16.897 1.00 0.00 C ATOM 582 OG1 THR A 39 21.282 -10.907 -16.730 1.00 0.00 O ATOM 583 CG2 THR A 39 21.359 -8.946 -18.087 1.00 0.00 C ATOM 0 H THR A 39 20.411 -6.893 -15.959 1.00 0.00 H new ATOM 0 HA THR A 39 20.533 -9.576 -14.776 1.00 0.00 H new ATOM 0 HB THR A 39 19.638 -9.672 -17.132 1.00 0.00 H new ATOM 0 HG1 THR A 39 21.639 -11.219 -17.588 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.200 -9.541 -18.986 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.919 -7.958 -18.223 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.429 -8.845 -17.904 1.00 0.00 H new ATOM 591 N ILE A 40 23.115 -9.549 -14.888 1.00 0.00 N ATOM 592 CA ILE A 40 24.488 -9.401 -14.381 1.00 0.00 C ATOM 593 C ILE A 40 25.447 -10.100 -15.340 1.00 0.00 C ATOM 594 O ILE A 40 25.270 -11.268 -15.678 1.00 0.00 O ATOM 595 CB ILE A 40 24.601 -9.986 -12.958 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.673 -9.233 -11.977 1.00 0.00 C ATOM 597 CG2 ILE A 40 26.049 -9.974 -12.421 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.412 -10.027 -10.698 1.00 0.00 C ATOM 0 H ILE A 40 22.816 -10.523 -14.932 1.00 0.00 H new ATOM 0 HA ILE A 40 24.749 -8.344 -14.324 1.00 0.00 H new ATOM 0 HB ILE A 40 24.286 -11.027 -13.029 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.122 -8.273 -11.721 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.724 -9.020 -12.469 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.068 -10.397 -11.417 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.685 -10.568 -13.077 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.417 -8.948 -12.390 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.755 -9.455 -10.042 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.938 -10.976 -10.949 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.357 -10.217 -10.189 1.00 0.00 H new ATOM 610 N ASN A 41 26.500 -9.389 -15.734 1.00 0.00 N ATOM 611 CA ASN A 41 27.489 -9.837 -16.707 1.00 0.00 C ATOM 612 C ASN A 41 28.883 -9.656 -16.090 1.00 0.00 C ATOM 613 O ASN A 41 29.117 -8.644 -15.432 1.00 0.00 O ATOM 614 CB ASN A 41 27.312 -9.029 -18.014 1.00 0.00 C ATOM 615 CG ASN A 41 25.860 -8.805 -18.443 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.292 -9.552 -19.226 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.224 -7.759 -17.950 1.00 0.00 N ATOM 0 H ASN A 41 26.694 -8.455 -15.372 1.00 0.00 H new ATOM 0 HA ASN A 41 27.361 -10.890 -16.956 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.793 -8.059 -17.892 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.837 -9.546 -18.817 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.259 -7.574 -18.222 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.698 -7.135 -17.296 1.00 0.00 H new ATOM 624 N GLU A 42 29.813 -10.594 -16.284 1.00 0.00 N ATOM 625 CA GLU A 42 31.217 -10.387 -15.879 1.00 0.00 C ATOM 626 C GLU A 42 32.232 -10.677 -16.992 1.00 0.00 C ATOM 627 O GLU A 42 31.974 -11.503 -17.874 1.00 0.00 O ATOM 628 CB GLU A 42 31.529 -11.139 -14.572 1.00 0.00 C ATOM 629 CG GLU A 42 31.755 -12.642 -14.726 1.00 0.00 C ATOM 630 CD GLU A 42 33.185 -13.077 -15.060 1.00 0.00 C ATOM 631 OE1 GLU A 42 34.150 -12.340 -14.767 1.00 0.00 O ATOM 632 OE2 GLU A 42 33.300 -14.213 -15.568 1.00 0.00 O ATOM 0 H GLU A 42 29.628 -11.500 -16.715 1.00 0.00 H new ATOM 0 HA GLU A 42 31.330 -9.321 -15.682 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.418 -10.698 -14.121 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.706 -10.981 -13.875 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.455 -13.131 -13.799 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.092 -13.010 -15.509 1.00 0.00 H new ATOM 639 N ARG A 43 33.393 -10.009 -16.934 1.00 0.00 N ATOM 640 CA ARG A 43 34.563 -10.311 -17.770 1.00 0.00 C ATOM 641 C ARG A 43 35.723 -10.792 -16.885 1.00 0.00 C ATOM 642 O ARG A 43 36.221 -9.993 -16.083 1.00 0.00 O ATOM 643 CB ARG A 43 34.940 -9.103 -18.641 1.00 0.00 C ATOM 644 CG ARG A 43 36.029 -9.458 -19.670 1.00 0.00 C ATOM 645 CD ARG A 43 36.431 -8.254 -20.529 1.00 0.00 C ATOM 646 NE ARG A 43 35.345 -7.826 -21.438 1.00 0.00 N ATOM 647 CZ ARG A 43 35.340 -6.754 -22.212 1.00 0.00 C ATOM 648 NH1 ARG A 43 36.341 -5.919 -22.248 1.00 0.00 N ATOM 649 NH2 ARG A 43 34.316 -6.497 -22.975 1.00 0.00 N ATOM 0 H ARG A 43 33.548 -9.230 -16.294 1.00 0.00 H new ATOM 0 HA ARG A 43 34.320 -11.120 -18.459 1.00 0.00 H new ATOM 0 HB2 ARG A 43 34.054 -8.739 -19.161 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.292 -8.291 -18.004 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.907 -9.840 -19.149 1.00 0.00 H new ATOM 0 HG3 ARG A 43 35.668 -10.258 -20.316 1.00 0.00 H new ATOM 0 HD2 ARG A 43 36.707 -7.423 -19.880 1.00 0.00 H new ATOM 0 HD3 ARG A 43 37.314 -8.507 -21.115 1.00 0.00 H new ATOM 0 HE ARG A 43 34.515 -8.418 -21.471 1.00 0.00 H new ATOM 0 HH11 ARG A 43 37.163 -6.083 -21.667 1.00 0.00 H new ATOM 0 HH12 ARG A 43 36.302 -5.102 -22.858 1.00 0.00 H new ATOM 0 HH21 ARG A 43 33.512 -7.124 -22.978 1.00 0.00 H new ATOM 0 HH22 ARG A 43 34.318 -5.668 -23.570 1.00 0.00 H new ATOM 663 N PRO A 44 36.174 -12.050 -17.045 1.00 0.00 N ATOM 664 CA PRO A 44 37.226 -12.630 -16.222 1.00 0.00 C ATOM 665 C PRO A 44 38.598 -12.145 -16.710 1.00 0.00 C ATOM 666 O PRO A 44 38.954 -12.308 -17.883 1.00 0.00 O ATOM 667 CB PRO A 44 37.020 -14.144 -16.336 1.00 0.00 C ATOM 668 CG PRO A 44 36.442 -14.320 -17.739 1.00 0.00 C ATOM 669 CD PRO A 44 35.594 -13.067 -17.914 1.00 0.00 C ATOM 0 HA PRO A 44 37.186 -12.331 -15.175 1.00 0.00 H new ATOM 0 HB2 PRO A 44 37.958 -14.687 -16.217 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.338 -14.515 -15.571 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.226 -14.387 -18.494 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.844 -15.228 -17.819 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.598 -12.738 -18.953 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.556 -13.261 -17.645 1.00 0.00 H new ATOM 677 N SER A 45 39.372 -11.546 -15.803 1.00 0.00 N ATOM 678 CA SER A 45 40.612 -10.826 -16.110 1.00 0.00 C ATOM 679 C SER A 45 41.663 -11.123 -15.041 1.00 0.00 C ATOM 680 O SER A 45 41.802 -10.390 -14.059 1.00 0.00 O ATOM 681 CB SER A 45 40.327 -9.315 -16.207 1.00 0.00 C ATOM 682 OG SER A 45 39.482 -9.028 -17.314 1.00 0.00 O ATOM 0 H SER A 45 39.149 -11.548 -14.808 1.00 0.00 H new ATOM 0 HA SER A 45 41.002 -11.162 -17.071 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.857 -8.970 -15.286 1.00 0.00 H new ATOM 0 HB3 SER A 45 41.265 -8.770 -16.310 1.00 0.00 H new ATOM 0 HG SER A 45 39.313 -8.064 -17.355 1.00 0.00 H new ATOM 688 N ALA A 46 42.425 -12.206 -15.227 1.00 0.00 N ATOM 689 CA ALA A 46 43.315 -12.786 -14.210 1.00 0.00 C ATOM 690 C ALA A 46 44.466 -11.873 -13.731 1.00 0.00 C ATOM 691 O ALA A 46 45.092 -12.148 -12.705 1.00 0.00 O ATOM 692 CB ALA A 46 43.836 -14.125 -14.747 1.00 0.00 C ATOM 0 H ALA A 46 42.442 -12.717 -16.109 1.00 0.00 H new ATOM 0 HA ALA A 46 42.723 -12.925 -13.306 1.00 0.00 H new ATOM 0 HB1 ALA A 46 44.500 -14.578 -14.011 1.00 0.00 H new ATOM 0 HB2 ALA A 46 42.996 -14.793 -14.937 1.00 0.00 H new ATOM 0 HB3 ALA A 46 44.383 -13.957 -15.675 1.00 0.00 H new ATOM 698 N ARG A 47 44.691 -10.742 -14.417 1.00 0.00 N ATOM 699 CA ARG A 47 45.511 -9.610 -13.939 1.00 0.00 C ATOM 700 C ARG A 47 45.077 -9.062 -12.566 1.00 0.00 C ATOM 701 O ARG A 47 45.918 -8.534 -11.839 1.00 0.00 O ATOM 702 CB ARG A 47 45.514 -8.493 -15.006 1.00 0.00 C ATOM 703 CG ARG A 47 44.124 -7.874 -15.261 1.00 0.00 C ATOM 704 CD ARG A 47 44.120 -6.865 -16.418 1.00 0.00 C ATOM 705 NE ARG A 47 44.857 -5.626 -16.088 1.00 0.00 N ATOM 706 CZ ARG A 47 45.013 -4.572 -16.874 1.00 0.00 C ATOM 707 NH1 ARG A 47 44.519 -4.526 -18.080 1.00 0.00 N ATOM 708 NH2 ARG A 47 45.673 -3.530 -16.457 1.00 0.00 N ATOM 0 H ARG A 47 44.299 -10.582 -15.345 1.00 0.00 H new ATOM 0 HA ARG A 47 46.522 -9.989 -13.790 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.200 -7.706 -14.693 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.899 -8.898 -15.942 1.00 0.00 H new ATOM 0 HG2 ARG A 47 43.412 -8.670 -15.478 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.781 -7.378 -14.353 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.566 -7.326 -17.300 1.00 0.00 H new ATOM 0 HD3 ARG A 47 43.091 -6.615 -16.675 1.00 0.00 H new ATOM 0 HE ARG A 47 45.287 -5.579 -15.164 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.992 -5.319 -18.446 1.00 0.00 H new ATOM 0 HH12 ARG A 47 44.659 -3.697 -18.657 1.00 0.00 H new ATOM 0 HH21 ARG A 47 46.074 -3.522 -15.519 1.00 0.00 H new ATOM 0 HH22 ARG A 47 45.789 -2.722 -17.068 1.00 0.00 H new ATOM 722 N ALA A 48 43.784 -9.173 -12.223 1.00 0.00 N ATOM 723 CA ALA A 48 43.215 -8.621 -10.988 1.00 0.00 C ATOM 724 C ALA A 48 41.956 -9.336 -10.437 1.00 0.00 C ATOM 725 O ALA A 48 41.734 -9.289 -9.228 1.00 0.00 O ATOM 726 CB ALA A 48 42.910 -7.141 -11.255 1.00 0.00 C ATOM 0 H ALA A 48 43.098 -9.655 -12.804 1.00 0.00 H new ATOM 0 HA ALA A 48 43.957 -8.772 -10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.484 -6.690 -10.359 1.00 0.00 H new ATOM 0 HB2 ALA A 48 43.831 -6.622 -11.520 1.00 0.00 H new ATOM 0 HB3 ALA A 48 42.198 -7.059 -12.076 1.00 0.00 H new ATOM 732 N GLY A 49 41.124 -9.979 -11.271 1.00 0.00 N ATOM 733 CA GLY A 49 39.854 -10.594 -10.846 1.00 0.00 C ATOM 734 C GLY A 49 38.794 -10.597 -11.954 1.00 0.00 C ATOM 735 O GLY A 49 38.975 -11.261 -12.974 1.00 0.00 O ATOM 0 H GLY A 49 41.314 -10.088 -12.267 1.00 0.00 H new ATOM 0 HA2 GLY A 49 40.041 -11.619 -10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.467 -10.056 -9.981 1.00 0.00 H new ATOM 739 N SER A 50 37.695 -9.862 -11.764 1.00 0.00 N ATOM 740 CA SER A 50 36.618 -9.716 -12.759 1.00 0.00 C ATOM 741 C SER A 50 36.098 -8.281 -12.877 1.00 0.00 C ATOM 742 O SER A 50 35.966 -7.560 -11.885 1.00 0.00 O ATOM 743 CB SER A 50 35.441 -10.657 -12.467 1.00 0.00 C ATOM 744 OG SER A 50 34.992 -10.557 -11.127 1.00 0.00 O ATOM 0 H SER A 50 37.522 -9.342 -10.904 1.00 0.00 H new ATOM 0 HA SER A 50 37.072 -9.988 -13.712 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.617 -10.425 -13.142 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.741 -11.685 -12.672 1.00 0.00 H new ATOM 0 HG SER A 50 34.242 -11.172 -10.987 1.00 0.00 H new ATOM 750 N TRP A 51 35.716 -7.880 -14.094 1.00 0.00 N ATOM 751 CA TRP A 51 34.805 -6.750 -14.286 1.00 0.00 C ATOM 752 C TRP A 51 33.381 -7.242 -14.079 1.00 0.00 C ATOM 753 O TRP A 51 33.017 -8.246 -14.677 1.00 0.00 O ATOM 754 CB TRP A 51 34.953 -6.155 -15.691 1.00 0.00 C ATOM 755 CG TRP A 51 35.806 -4.935 -15.781 1.00 0.00 C ATOM 756 CD1 TRP A 51 37.061 -4.881 -16.277 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.468 -3.572 -15.382 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.530 -3.584 -16.204 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.584 -2.730 -15.675 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.329 -2.965 -14.807 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.569 -1.352 -15.415 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.308 -1.583 -14.541 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.418 -0.777 -14.847 1.00 0.00 C ATOM 0 H TRP A 51 36.024 -8.322 -14.960 1.00 0.00 H new ATOM 0 HA TRP A 51 35.046 -5.967 -13.567 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.369 -6.918 -16.349 1.00 0.00 H new ATOM 0 HB3 TRP A 51 33.961 -5.913 -16.071 1.00 0.00 H new ATOM 0 HD1 TRP A 51 37.613 -5.722 -16.670 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.461 -3.293 -16.504 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.465 -3.568 -14.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.429 -0.741 -15.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.430 -1.137 -14.097 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.387 0.284 -14.646 1.00 0.00 H new ATOM 774 N ILE A 52 32.569 -6.533 -13.297 1.00 0.00 N ATOM 775 CA ILE A 52 31.125 -6.759 -13.153 1.00 0.00 C ATOM 776 C ILE A 52 30.373 -5.614 -13.819 1.00 0.00 C ATOM 777 O ILE A 52 30.660 -4.450 -13.547 1.00 0.00 O ATOM 778 CB ILE A 52 30.721 -6.885 -11.666 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.529 -7.952 -10.902 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.215 -7.180 -11.533 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.453 -9.358 -11.504 1.00 0.00 C ATOM 0 H ILE A 52 32.906 -5.758 -12.725 1.00 0.00 H new ATOM 0 HA ILE A 52 30.865 -7.699 -13.640 1.00 0.00 H new ATOM 0 HB ILE A 52 30.952 -5.922 -11.210 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.573 -7.642 -10.866 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.173 -7.991 -9.873 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.953 -7.265 -10.478 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.644 -6.369 -11.985 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.981 -8.115 -12.041 1.00 0.00 H new ATOM 0 HD11 ILE A 52 32.050 -10.044 -10.903 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.416 -9.694 -11.515 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.839 -9.339 -12.523 1.00 0.00 H new ATOM 793 N THR A 53 29.377 -5.946 -14.638 1.00 0.00 N ATOM 794 CA THR A 53 28.580 -4.992 -15.421 1.00 0.00 C ATOM 795 C THR A 53 27.112 -5.399 -15.357 1.00 0.00 C ATOM 796 O THR A 53 26.735 -6.469 -15.835 1.00 0.00 O ATOM 797 CB THR A 53 29.081 -4.949 -16.877 1.00 0.00 C ATOM 798 OG1 THR A 53 30.453 -4.611 -16.900 1.00 0.00 O ATOM 799 CG2 THR A 53 28.368 -3.888 -17.714 1.00 0.00 C ATOM 0 H THR A 53 29.090 -6.914 -14.782 1.00 0.00 H new ATOM 0 HA THR A 53 28.687 -3.991 -15.004 1.00 0.00 H new ATOM 0 HB THR A 53 28.886 -5.937 -17.293 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.768 -4.586 -17.828 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.761 -3.902 -18.731 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.299 -4.099 -17.735 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.535 -2.905 -17.274 1.00 0.00 H new ATOM 807 N ILE A 54 26.267 -4.548 -14.776 1.00 0.00 N ATOM 808 CA ILE A 54 24.818 -4.769 -14.673 1.00 0.00 C ATOM 809 C ILE A 54 24.102 -3.958 -15.751 1.00 0.00 C ATOM 810 O ILE A 54 24.335 -2.756 -15.925 1.00 0.00 O ATOM 811 CB ILE A 54 24.316 -4.571 -13.222 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.787 -4.686 -13.022 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.851 -3.282 -12.583 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.938 -3.497 -13.497 1.00 0.00 C ATOM 0 H ILE A 54 26.571 -3.670 -14.356 1.00 0.00 H new ATOM 0 HA ILE A 54 24.570 -5.810 -14.880 1.00 0.00 H new ATOM 0 HB ILE A 54 24.740 -5.427 -12.696 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.442 -5.580 -13.542 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.593 -4.840 -11.960 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.468 -3.194 -11.566 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.940 -3.313 -12.559 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.525 -2.423 -13.170 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.885 -3.700 -13.301 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.240 -2.597 -12.961 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.086 -3.349 -14.567 1.00 0.00 H new ATOM 826 N THR A 55 23.221 -4.636 -16.483 1.00 0.00 N ATOM 827 CA THR A 55 22.451 -4.075 -17.597 1.00 0.00 C ATOM 828 C THR A 55 20.948 -4.167 -17.321 1.00 0.00 C ATOM 829 O THR A 55 20.468 -5.167 -16.794 1.00 0.00 O ATOM 830 CB THR A 55 22.826 -4.762 -18.923 1.00 0.00 C ATOM 831 OG1 THR A 55 22.793 -6.166 -18.781 1.00 0.00 O ATOM 832 CG2 THR A 55 24.252 -4.443 -19.371 1.00 0.00 C ATOM 0 H THR A 55 23.015 -5.621 -16.314 1.00 0.00 H new ATOM 0 HA THR A 55 22.704 -3.019 -17.691 1.00 0.00 H new ATOM 0 HB THR A 55 22.102 -4.393 -19.650 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.032 -6.587 -19.633 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.461 -4.954 -20.311 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.357 -3.367 -19.512 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.956 -4.780 -18.610 1.00 0.00 H new ATOM 840 N VAL A 56 20.194 -3.119 -17.669 1.00 0.00 N ATOM 841 CA VAL A 56 18.720 -3.080 -17.635 1.00 0.00 C ATOM 842 C VAL A 56 18.201 -3.281 -19.055 1.00 0.00 C ATOM 843 O VAL A 56 18.487 -2.482 -19.941 1.00 0.00 O ATOM 844 CB VAL A 56 18.201 -1.791 -16.956 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.715 -1.507 -17.207 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.376 -1.964 -15.447 1.00 0.00 C ATOM 0 H VAL A 56 20.603 -2.243 -17.994 1.00 0.00 H new ATOM 0 HA VAL A 56 18.332 -3.890 -17.017 1.00 0.00 H new ATOM 0 HB VAL A 56 18.768 -0.960 -17.376 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.429 -0.587 -16.697 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.541 -1.398 -18.278 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.117 -2.334 -16.825 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.019 -1.071 -14.935 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.803 -2.828 -15.111 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.431 -2.117 -15.218 1.00 0.00 H new ATOM 856 N ASN A 57 17.475 -4.380 -19.266 1.00 0.00 N ATOM 857 CA ASN A 57 17.064 -4.958 -20.557 1.00 0.00 C ATOM 858 C ASN A 57 18.241 -5.235 -21.519 1.00 0.00 C ATOM 859 O ASN A 57 18.622 -6.387 -21.724 1.00 0.00 O ATOM 860 CB ASN A 57 15.944 -4.120 -21.208 1.00 0.00 C ATOM 861 CG ASN A 57 14.683 -4.062 -20.362 1.00 0.00 C ATOM 862 OD1 ASN A 57 13.965 -5.039 -20.208 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.380 -2.920 -19.788 1.00 0.00 N ATOM 0 H ASN A 57 17.130 -4.935 -18.483 1.00 0.00 H new ATOM 0 HA ASN A 57 16.654 -5.944 -20.338 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.308 -3.107 -21.379 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.702 -4.541 -22.184 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.542 -2.846 -19.211 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.982 -2.107 -19.920 1.00 0.00 H new ATOM 870 N GLN A 58 18.812 -4.171 -22.090 1.00 0.00 N ATOM 871 CA GLN A 58 19.931 -4.181 -23.045 1.00 0.00 C ATOM 872 C GLN A 58 20.917 -3.005 -22.854 1.00 0.00 C ATOM 873 O GLN A 58 21.814 -2.808 -23.674 1.00 0.00 O ATOM 874 CB GLN A 58 19.359 -4.233 -24.475 1.00 0.00 C ATOM 875 CG GLN A 58 18.441 -3.046 -24.824 1.00 0.00 C ATOM 876 CD GLN A 58 18.037 -3.055 -26.297 1.00 0.00 C ATOM 877 OE1 GLN A 58 16.961 -3.503 -26.674 1.00 0.00 O ATOM 878 NE2 GLN A 58 18.879 -2.576 -27.191 1.00 0.00 N ATOM 0 H GLN A 58 18.490 -3.224 -21.889 1.00 0.00 H new ATOM 0 HA GLN A 58 20.531 -5.071 -22.857 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.185 -4.262 -25.185 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.800 -5.161 -24.599 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.547 -3.083 -24.202 1.00 0.00 H new ATOM 0 HG3 GLN A 58 18.952 -2.111 -24.593 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.779 -2.199 -26.894 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.630 -2.582 -28.180 1.00 0.00 H new ATOM 887 N ASP A 59 20.759 -2.213 -21.785 1.00 0.00 N ATOM 888 CA ASP A 59 21.505 -0.967 -21.538 1.00 0.00 C ATOM 889 C ASP A 59 22.326 -1.052 -20.247 1.00 0.00 C ATOM 890 O ASP A 59 21.797 -1.427 -19.202 1.00 0.00 O ATOM 891 CB ASP A 59 20.520 0.209 -21.460 1.00 0.00 C ATOM 892 CG ASP A 59 19.923 0.553 -22.834 1.00 0.00 C ATOM 893 OD1 ASP A 59 18.708 0.329 -23.048 1.00 0.00 O ATOM 894 OD2 ASP A 59 20.668 1.075 -23.699 1.00 0.00 O ATOM 0 H ASP A 59 20.090 -2.426 -21.045 1.00 0.00 H new ATOM 0 HA ASP A 59 22.201 -0.813 -22.363 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.716 -0.037 -20.767 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.031 1.084 -21.058 1.00 0.00 H new ATOM 899 N VAL A 60 23.611 -0.686 -20.279 1.00 0.00 N ATOM 900 CA VAL A 60 24.446 -0.625 -19.063 1.00 0.00 C ATOM 901 C VAL A 60 24.085 0.588 -18.202 1.00 0.00 C ATOM 902 O VAL A 60 23.874 1.688 -18.714 1.00 0.00 O ATOM 903 CB VAL A 60 25.956 -0.705 -19.388 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.470 0.437 -20.274 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.809 -0.750 -18.114 1.00 0.00 C ATOM 0 H VAL A 60 24.102 -0.426 -21.134 1.00 0.00 H new ATOM 0 HA VAL A 60 24.225 -1.510 -18.467 1.00 0.00 H new ATOM 0 HB VAL A 60 26.059 -1.634 -19.949 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.537 0.306 -20.454 1.00 0.00 H new ATOM 0 HG12 VAL A 60 25.938 0.428 -21.225 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.301 1.390 -19.773 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.864 -0.806 -18.384 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.632 0.150 -17.526 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.538 -1.627 -17.526 1.00 0.00 H new ATOM 915 N ILE A 61 24.037 0.377 -16.880 1.00 0.00 N ATOM 916 CA ILE A 61 23.768 1.436 -15.891 1.00 0.00 C ATOM 917 C ILE A 61 24.792 1.506 -14.755 1.00 0.00 C ATOM 918 O ILE A 61 24.997 2.582 -14.197 1.00 0.00 O ATOM 919 CB ILE A 61 22.348 1.307 -15.310 1.00 0.00 C ATOM 920 CG1 ILE A 61 21.968 -0.125 -14.894 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.319 1.885 -16.291 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.820 -0.120 -13.885 1.00 0.00 C ATOM 0 H ILE A 61 24.185 -0.541 -16.460 1.00 0.00 H new ATOM 0 HA ILE A 61 23.856 2.371 -16.445 1.00 0.00 H new ATOM 0 HB ILE A 61 22.342 1.888 -14.388 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.679 -0.698 -15.775 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.835 -0.623 -14.460 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.319 1.788 -15.869 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.537 2.938 -16.469 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.369 1.340 -17.234 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.573 -1.145 -13.609 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.120 0.433 -12.995 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.946 0.356 -14.330 1.00 0.00 H new ATOM 934 N PHE A 62 25.447 0.390 -14.416 1.00 0.00 N ATOM 935 CA PHE A 62 26.511 0.364 -13.413 1.00 0.00 C ATOM 936 C PHE A 62 27.521 -0.743 -13.722 1.00 0.00 C ATOM 937 O PHE A 62 27.168 -1.807 -14.233 1.00 0.00 O ATOM 938 CB PHE A 62 25.901 0.235 -12.002 1.00 0.00 C ATOM 939 CG PHE A 62 26.928 -0.012 -10.904 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.077 -1.286 -10.317 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.800 1.028 -10.531 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.109 -1.523 -9.387 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.820 0.793 -9.594 1.00 0.00 C ATOM 944 CZ PHE A 62 28.975 -0.480 -9.023 1.00 0.00 C ATOM 0 H PHE A 62 25.252 -0.521 -14.832 1.00 0.00 H new ATOM 0 HA PHE A 62 27.062 1.304 -13.445 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.349 1.146 -11.771 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.180 -0.583 -12.002 1.00 0.00 H new ATOM 0 HD1 PHE A 62 26.398 -2.083 -10.581 1.00 0.00 H new ATOM 0 HD2 PHE A 62 27.685 2.010 -10.966 1.00 0.00 H new ATOM 0 HE1 PHE A 62 28.233 -2.505 -8.955 1.00 0.00 H new ATOM 0 HE2 PHE A 62 29.487 1.594 -9.312 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.761 -0.657 -8.303 1.00 0.00 H new ATOM 954 N GLN A 63 28.787 -0.480 -13.406 1.00 0.00 N ATOM 955 CA GLN A 63 29.876 -1.449 -13.526 1.00 0.00 C ATOM 956 C GLN A 63 31.029 -1.137 -12.560 1.00 0.00 C ATOM 957 O GLN A 63 31.310 0.026 -12.266 1.00 0.00 O ATOM 958 CB GLN A 63 30.344 -1.550 -14.990 1.00 0.00 C ATOM 959 CG GLN A 63 30.853 -0.242 -15.617 1.00 0.00 C ATOM 960 CD GLN A 63 31.178 -0.420 -17.101 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.579 0.194 -17.974 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.128 -1.264 -17.448 1.00 0.00 N ATOM 0 H GLN A 63 29.091 0.428 -13.053 1.00 0.00 H new ATOM 0 HA GLN A 63 29.497 -2.428 -13.233 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.139 -2.293 -15.048 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.515 -1.922 -15.593 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.099 0.536 -15.500 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.744 0.094 -15.086 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.636 -1.783 -16.732 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.356 -1.399 -18.433 1.00 0.00 H new ATOM 971 N THR A 64 31.697 -2.181 -12.064 1.00 0.00 N ATOM 972 CA THR A 64 32.791 -2.092 -11.080 1.00 0.00 C ATOM 973 C THR A 64 33.737 -3.295 -11.167 1.00 0.00 C ATOM 974 O THR A 64 33.391 -4.323 -11.751 1.00 0.00 O ATOM 975 CB THR A 64 32.210 -1.945 -9.664 1.00 0.00 C ATOM 976 OG1 THR A 64 33.245 -1.652 -8.750 1.00 0.00 O ATOM 977 CG2 THR A 64 31.459 -3.188 -9.173 1.00 0.00 C ATOM 0 H THR A 64 31.490 -3.141 -12.340 1.00 0.00 H new ATOM 0 HA THR A 64 33.384 -1.208 -11.312 1.00 0.00 H new ATOM 0 HB THR A 64 31.487 -1.131 -9.719 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.869 -1.558 -7.850 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.078 -3.009 -8.168 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.627 -3.399 -9.844 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.138 -4.041 -9.158 1.00 0.00 H new ATOM 985 N PHE A 65 34.929 -3.187 -10.581 1.00 0.00 N ATOM 986 CA PHE A 65 35.913 -4.269 -10.532 1.00 0.00 C ATOM 987 C PHE A 65 35.801 -5.063 -9.217 1.00 0.00 C ATOM 988 O PHE A 65 35.785 -4.475 -8.132 1.00 0.00 O ATOM 989 CB PHE A 65 37.320 -3.695 -10.755 1.00 0.00 C ATOM 990 CG PHE A 65 38.207 -4.615 -11.566 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.731 -5.786 -10.992 1.00 0.00 C ATOM 992 CD2 PHE A 65 38.466 -4.325 -12.919 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.467 -6.687 -11.779 1.00 0.00 C ATOM 994 CE2 PHE A 65 39.232 -5.212 -13.697 1.00 0.00 C ATOM 995 CZ PHE A 65 39.716 -6.402 -13.134 1.00 0.00 C ATOM 0 H PHE A 65 35.243 -2.333 -10.120 1.00 0.00 H new ATOM 0 HA PHE A 65 35.710 -4.979 -11.334 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.239 -2.734 -11.264 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.788 -3.506 -9.789 1.00 0.00 H new ATOM 0 HD1 PHE A 65 38.568 -5.993 -9.945 1.00 0.00 H new ATOM 0 HD2 PHE A 65 38.076 -3.420 -13.360 1.00 0.00 H new ATOM 0 HE1 PHE A 65 39.843 -7.601 -11.343 1.00 0.00 H new ATOM 0 HE2 PHE A 65 39.448 -4.977 -14.729 1.00 0.00 H new ATOM 0 HZ PHE A 65 40.278 -7.098 -13.739 1.00 0.00 H new ATOM 1005 N LEU A 66 35.745 -6.395 -9.307 1.00 0.00 N ATOM 1006 CA LEU A 66 35.844 -7.319 -8.176 1.00 0.00 C ATOM 1007 C LEU A 66 37.235 -7.966 -8.098 1.00 0.00 C ATOM 1008 O LEU A 66 37.823 -8.339 -9.115 1.00 0.00 O ATOM 1009 CB LEU A 66 34.769 -8.411 -8.271 1.00 0.00 C ATOM 1010 CG LEU A 66 33.388 -8.082 -7.701 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.533 -9.339 -7.851 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.405 -7.760 -6.205 1.00 0.00 C ATOM 0 H LEU A 66 35.626 -6.875 -10.199 1.00 0.00 H new ATOM 0 HA LEU A 66 35.684 -6.738 -7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.647 -8.675 -9.322 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.143 -9.299 -7.761 1.00 0.00 H new ATOM 0 HG LEU A 66 33.014 -7.209 -8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.535 -9.150 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.461 -9.606 -8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 66 32.992 -10.159 -7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.392 -7.537 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.789 -8.617 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 66 34.045 -6.896 -6.026 1.00 0.00 H new ATOM 1024 N PHE A 67 37.713 -8.170 -6.869 1.00 0.00 N ATOM 1025 CA PHE A 67 39.024 -8.766 -6.570 1.00 0.00 C ATOM 1026 C PHE A 67 38.877 -9.986 -5.631 1.00 0.00 C ATOM 1027 O PHE A 67 38.175 -9.890 -4.622 1.00 0.00 O ATOM 1028 CB PHE A 67 39.939 -7.697 -5.946 1.00 0.00 C ATOM 1029 CG PHE A 67 40.088 -6.408 -6.739 1.00 0.00 C ATOM 1030 CD1 PHE A 67 39.150 -5.368 -6.577 1.00 0.00 C ATOM 1031 CD2 PHE A 67 41.179 -6.226 -7.609 1.00 0.00 C ATOM 1032 CE1 PHE A 67 39.288 -4.168 -7.293 1.00 0.00 C ATOM 1033 CE2 PHE A 67 41.325 -5.017 -8.315 1.00 0.00 C ATOM 1034 CZ PHE A 67 40.376 -3.991 -8.165 1.00 0.00 C ATOM 0 H PHE A 67 37.189 -7.920 -6.030 1.00 0.00 H new ATOM 0 HA PHE A 67 39.473 -9.122 -7.497 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.555 -7.450 -4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.929 -8.131 -5.805 1.00 0.00 H new ATOM 0 HD1 PHE A 67 38.320 -5.495 -5.898 1.00 0.00 H new ATOM 0 HD2 PHE A 67 41.905 -7.015 -7.735 1.00 0.00 H new ATOM 0 HE1 PHE A 67 38.558 -3.381 -7.174 1.00 0.00 H new ATOM 0 HE2 PHE A 67 42.169 -4.877 -8.974 1.00 0.00 H new ATOM 0 HZ PHE A 67 40.483 -3.070 -8.718 1.00 0.00 H new ATOM 1044 N PRO A 68 39.531 -11.130 -5.925 1.00 0.00 N ATOM 1045 CA PRO A 68 39.385 -12.374 -5.157 1.00 0.00 C ATOM 1046 C PRO A 68 40.216 -12.401 -3.858 1.00 0.00 C ATOM 1047 O PRO A 68 39.819 -13.046 -2.887 1.00 0.00 O ATOM 1048 CB PRO A 68 39.828 -13.475 -6.127 1.00 0.00 C ATOM 1049 CG PRO A 68 40.892 -12.775 -6.972 1.00 0.00 C ATOM 1050 CD PRO A 68 40.327 -11.373 -7.120 1.00 0.00 C ATOM 0 HA PRO A 68 38.359 -12.497 -4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.234 -14.339 -5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.999 -13.834 -6.737 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.864 -12.771 -6.478 1.00 0.00 H new ATOM 0 HG3 PRO A 68 41.028 -13.262 -7.938 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.127 -10.638 -7.212 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.715 -11.292 -8.019 1.00 0.00 H new ATOM 1058 N LEU A 69 41.362 -11.702 -3.830 1.00 0.00 N ATOM 1059 CA LEU A 69 42.280 -11.653 -2.678 1.00 0.00 C ATOM 1060 C LEU A 69 41.846 -10.620 -1.617 1.00 0.00 C ATOM 1061 O LEU A 69 42.173 -10.761 -0.437 1.00 0.00 O ATOM 1062 CB LEU A 69 43.696 -11.376 -3.225 1.00 0.00 C ATOM 1063 CG LEU A 69 44.837 -11.407 -2.187 1.00 0.00 C ATOM 1064 CD1 LEU A 69 44.974 -12.770 -1.503 1.00 0.00 C ATOM 1065 CD2 LEU A 69 46.162 -11.092 -2.880 1.00 0.00 C ATOM 0 H LEU A 69 41.683 -11.144 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 69 42.264 -12.608 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.915 -12.111 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 69 43.694 -10.397 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 69 44.594 -10.664 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 69 45.791 -12.735 -0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 69 44.045 -13.013 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 69 45.183 -13.534 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 69 46.969 -11.113 -2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 69 46.354 -11.835 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 69 46.109 -10.102 -3.333 1.00 0.00 H new ATOM 1077 N LYS A 70 41.097 -9.590 -2.038 1.00 0.00 N ATOM 1078 CA LYS A 70 40.564 -8.520 -1.170 1.00 0.00 C ATOM 1079 C LYS A 70 39.245 -8.935 -0.496 1.00 0.00 C ATOM 1080 O LYS A 70 38.577 -9.875 -0.932 1.00 0.00 O ATOM 1081 CB LYS A 70 40.389 -7.213 -1.970 1.00 0.00 C ATOM 1082 CG LYS A 70 41.669 -6.734 -2.677 1.00 0.00 C ATOM 1083 CD LYS A 70 41.442 -5.370 -3.348 1.00 0.00 C ATOM 1084 CE LYS A 70 42.656 -4.978 -4.206 1.00 0.00 C ATOM 1085 NZ LYS A 70 42.439 -3.681 -4.909 1.00 0.00 N ATOM 0 H LYS A 70 40.836 -9.472 -3.017 1.00 0.00 H new ATOM 0 HA LYS A 70 41.290 -8.346 -0.376 1.00 0.00 H new ATOM 0 HB2 LYS A 70 39.607 -7.358 -2.716 1.00 0.00 H new ATOM 0 HB3 LYS A 70 40.045 -6.430 -1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 70 42.482 -6.659 -1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 70 41.973 -7.466 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 70 40.548 -5.410 -3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 70 41.267 -4.609 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 70 43.541 -4.905 -3.573 1.00 0.00 H new ATOM 0 HE3 LYS A 70 42.852 -5.761 -4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 43.279 -3.450 -5.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 41.610 -3.758 -5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 42.277 -2.929 -4.209 1.00 0.00 H new ATOM 1099 N ARG A 71 38.849 -8.199 0.553 1.00 0.00 N ATOM 1100 CA ARG A 71 37.622 -8.439 1.351 1.00 0.00 C ATOM 1101 C ARG A 71 36.470 -7.465 1.049 1.00 0.00 C ATOM 1102 O ARG A 71 35.484 -7.426 1.782 1.00 0.00 O ATOM 1103 CB ARG A 71 37.979 -8.523 2.851 1.00 0.00 C ATOM 1104 CG ARG A 71 38.938 -9.692 3.143 1.00 0.00 C ATOM 1105 CD ARG A 71 39.133 -9.937 4.645 1.00 0.00 C ATOM 1106 NE ARG A 71 39.847 -8.826 5.309 1.00 0.00 N ATOM 1107 CZ ARG A 71 40.094 -8.716 6.604 1.00 0.00 C ATOM 1108 NH1 ARG A 71 39.707 -9.617 7.463 1.00 0.00 N ATOM 1109 NH2 ARG A 71 40.744 -7.686 7.067 1.00 0.00 N ATOM 0 H ARG A 71 39.384 -7.396 0.885 1.00 0.00 H new ATOM 0 HA ARG A 71 37.219 -9.403 1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 71 38.439 -7.587 3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 71 37.067 -8.645 3.436 1.00 0.00 H new ATOM 0 HG2 ARG A 71 38.551 -10.599 2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 71 39.905 -9.487 2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 71 38.160 -10.074 5.117 1.00 0.00 H new ATOM 0 HD3 ARG A 71 39.691 -10.862 4.790 1.00 0.00 H new ATOM 0 HE ARG A 71 40.182 -8.071 4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 71 39.196 -10.440 7.144 1.00 0.00 H new ATOM 0 HH12 ARG A 71 39.915 -9.499 8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 71 41.066 -6.958 6.430 1.00 0.00 H new ATOM 0 HH22 ARG A 71 40.931 -7.608 8.067 1.00 0.00 H new ATOM 1123 N ASP A 72 36.558 -6.698 -0.042 1.00 0.00 N ATOM 1124 CA ASP A 72 35.508 -5.746 -0.448 1.00 0.00 C ATOM 1125 C ASP A 72 34.255 -6.401 -1.040 1.00 0.00 C ATOM 1126 O ASP A 72 33.229 -5.736 -1.099 1.00 0.00 O ATOM 1127 CB ASP A 72 36.047 -4.702 -1.435 1.00 0.00 C ATOM 1128 CG ASP A 72 36.263 -5.280 -2.848 1.00 0.00 C ATOM 1129 OD1 ASP A 72 37.357 -5.833 -3.103 1.00 0.00 O ATOM 1130 OD2 ASP A 72 35.333 -5.191 -3.689 1.00 0.00 O ATOM 0 H ASP A 72 37.359 -6.716 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 72 35.205 -5.262 0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.350 -3.866 -1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 72 36.991 -4.306 -1.060 1.00 0.00 H new ATOM 1135 N PHE A 73 34.307 -7.672 -1.462 1.00 0.00 N ATOM 1136 CA PHE A 73 33.244 -8.326 -2.245 1.00 0.00 C ATOM 1137 C PHE A 73 31.834 -8.089 -1.680 1.00 0.00 C ATOM 1138 O PHE A 73 30.950 -7.648 -2.410 1.00 0.00 O ATOM 1139 CB PHE A 73 33.571 -9.827 -2.371 1.00 0.00 C ATOM 1140 CG PHE A 73 32.435 -10.675 -2.916 1.00 0.00 C ATOM 1141 CD1 PHE A 73 31.425 -11.147 -2.052 1.00 0.00 C ATOM 1142 CD2 PHE A 73 32.372 -10.971 -4.291 1.00 0.00 C ATOM 1143 CE1 PHE A 73 30.335 -11.865 -2.569 1.00 0.00 C ATOM 1144 CE2 PHE A 73 31.287 -11.699 -4.808 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.262 -12.128 -3.945 1.00 0.00 C ATOM 0 H PHE A 73 35.099 -8.285 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 73 33.224 -7.871 -3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.439 -9.944 -3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.854 -10.208 -1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 73 31.490 -10.956 -0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 73 33.160 -10.638 -4.950 1.00 0.00 H new ATOM 0 HE1 PHE A 73 29.555 -12.214 -1.909 1.00 0.00 H new ATOM 0 HE2 PHE A 73 31.240 -11.928 -5.862 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.413 -12.663 -4.345 1.00 0.00 H new ATOM 1155 N GLU A 74 31.628 -8.295 -0.375 1.00 0.00 N ATOM 1156 CA GLU A 74 30.316 -8.103 0.267 1.00 0.00 C ATOM 1157 C GLU A 74 29.853 -6.641 0.200 1.00 0.00 C ATOM 1158 O GLU A 74 28.704 -6.344 -0.128 1.00 0.00 O ATOM 1159 CB GLU A 74 30.411 -8.563 1.729 1.00 0.00 C ATOM 1160 CG GLU A 74 29.031 -8.850 2.326 1.00 0.00 C ATOM 1161 CD GLU A 74 29.152 -9.293 3.797 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.092 -10.516 4.076 1.00 0.00 O ATOM 1163 OE2 GLU A 74 29.307 -8.420 4.686 1.00 0.00 O ATOM 0 H GLU A 74 32.360 -8.598 0.267 1.00 0.00 H new ATOM 0 HA GLU A 74 29.576 -8.697 -0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 74 31.026 -9.461 1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.910 -7.795 2.320 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.409 -7.957 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.534 -9.628 1.747 1.00 0.00 H new ATOM 1170 N LYS A 75 30.789 -5.715 0.439 1.00 0.00 N ATOM 1171 CA LYS A 75 30.563 -4.265 0.395 1.00 0.00 C ATOM 1172 C LYS A 75 30.232 -3.817 -1.029 1.00 0.00 C ATOM 1173 O LYS A 75 29.236 -3.133 -1.244 1.00 0.00 O ATOM 1174 CB LYS A 75 31.778 -3.508 0.983 1.00 0.00 C ATOM 1175 CG LYS A 75 32.027 -3.850 2.463 1.00 0.00 C ATOM 1176 CD LYS A 75 33.097 -4.941 2.658 1.00 0.00 C ATOM 1177 CE LYS A 75 32.941 -5.672 3.998 1.00 0.00 C ATOM 1178 NZ LYS A 75 33.243 -4.802 5.173 1.00 0.00 N ATOM 0 H LYS A 75 31.751 -5.960 0.675 1.00 0.00 H new ATOM 0 HA LYS A 75 29.702 -4.020 1.016 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.668 -3.751 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.616 -2.435 0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.336 -2.948 2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 75 31.092 -4.181 2.916 1.00 0.00 H new ATOM 0 HD2 LYS A 75 33.031 -5.662 1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 75 34.088 -4.490 2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 75 31.922 -6.049 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 75 33.603 -6.537 4.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 33.121 -5.348 6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.224 -4.462 5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 32.595 -3.989 5.179 1.00 0.00 H new ATOM 1192 N THR A 76 30.985 -4.300 -2.014 1.00 0.00 N ATOM 1193 CA THR A 76 30.765 -4.073 -3.450 1.00 0.00 C ATOM 1194 C THR A 76 29.427 -4.646 -3.929 1.00 0.00 C ATOM 1195 O THR A 76 28.724 -3.970 -4.677 1.00 0.00 O ATOM 1196 CB THR A 76 31.962 -4.630 -4.247 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.083 -3.825 -3.962 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.754 -4.597 -5.763 1.00 0.00 C ATOM 0 H THR A 76 31.800 -4.885 -1.832 1.00 0.00 H new ATOM 0 HA THR A 76 30.701 -2.999 -3.628 1.00 0.00 H new ATOM 0 HB THR A 76 32.089 -5.671 -3.951 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.789 -4.376 -3.564 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.635 -5.003 -6.260 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.881 -5.196 -6.024 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.597 -3.568 -6.086 1.00 0.00 H new ATOM 1206 N VAL A 77 29.001 -5.820 -3.444 1.00 0.00 N ATOM 1207 CA VAL A 77 27.657 -6.372 -3.712 1.00 0.00 C ATOM 1208 C VAL A 77 26.578 -5.439 -3.166 1.00 0.00 C ATOM 1209 O VAL A 77 25.723 -5.005 -3.931 1.00 0.00 O ATOM 1210 CB VAL A 77 27.491 -7.800 -3.144 1.00 0.00 C ATOM 1211 CG1 VAL A 77 26.027 -8.263 -3.128 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.266 -8.818 -3.984 1.00 0.00 C ATOM 0 H VAL A 77 29.577 -6.419 -2.852 1.00 0.00 H new ATOM 0 HA VAL A 77 27.543 -6.444 -4.794 1.00 0.00 H new ATOM 0 HB VAL A 77 27.873 -7.752 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 77 25.969 -9.272 -2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.438 -7.586 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.633 -8.260 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.132 -9.814 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.893 -8.804 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.325 -8.562 -3.980 1.00 0.00 H new ATOM 1222 N VAL A 78 26.630 -5.076 -1.878 1.00 0.00 N ATOM 1223 CA VAL A 78 25.607 -4.219 -1.241 1.00 0.00 C ATOM 1224 C VAL A 78 25.555 -2.839 -1.901 1.00 0.00 C ATOM 1225 O VAL A 78 24.476 -2.304 -2.154 1.00 0.00 O ATOM 1226 CB VAL A 78 25.858 -4.109 0.277 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.940 -3.092 0.969 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.612 -5.464 0.951 1.00 0.00 C ATOM 0 H VAL A 78 27.377 -5.364 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 78 24.633 -4.686 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 78 26.892 -3.781 0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 78 25.167 -3.063 2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 78 25.100 -2.104 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.900 -3.386 0.828 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.792 -5.375 2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.581 -5.773 0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.288 -6.208 0.530 1.00 0.00 H new ATOM 1238 N ALA A 79 26.711 -2.291 -2.268 1.00 0.00 N ATOM 1239 CA ALA A 79 26.817 -0.993 -2.920 1.00 0.00 C ATOM 1240 C ALA A 79 26.284 -1.022 -4.361 1.00 0.00 C ATOM 1241 O ALA A 79 25.725 -0.033 -4.830 1.00 0.00 O ATOM 1242 CB ALA A 79 28.287 -0.576 -2.855 1.00 0.00 C ATOM 0 H ALA A 79 27.612 -2.745 -2.118 1.00 0.00 H new ATOM 0 HA ALA A 79 26.195 -0.261 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.411 0.395 -3.334 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.601 -0.509 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.898 -1.316 -3.371 1.00 0.00 H new ATOM 1248 N ALA A 80 26.413 -2.140 -5.081 1.00 0.00 N ATOM 1249 CA ALA A 80 25.849 -2.285 -6.423 1.00 0.00 C ATOM 1250 C ALA A 80 24.314 -2.250 -6.415 1.00 0.00 C ATOM 1251 O ALA A 80 23.722 -1.789 -7.385 1.00 0.00 O ATOM 1252 CB ALA A 80 26.369 -3.592 -7.033 1.00 0.00 C ATOM 0 H ALA A 80 26.910 -2.967 -4.750 1.00 0.00 H new ATOM 0 HA ALA A 80 26.168 -1.438 -7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.957 -3.715 -8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.457 -3.560 -7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.063 -4.432 -6.409 1.00 0.00 H new ATOM 1258 N LEU A 81 23.664 -2.648 -5.315 1.00 0.00 N ATOM 1259 CA LEU A 81 22.197 -2.605 -5.185 1.00 0.00 C ATOM 1260 C LEU A 81 21.700 -1.151 -5.274 1.00 0.00 C ATOM 1261 O LEU A 81 20.821 -0.823 -6.070 1.00 0.00 O ATOM 1262 CB LEU A 81 21.741 -3.230 -3.847 1.00 0.00 C ATOM 1263 CG LEU A 81 22.322 -4.604 -3.476 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.927 -4.970 -2.050 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.867 -5.733 -4.395 1.00 0.00 C ATOM 0 H LEU A 81 24.138 -3.010 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 81 21.768 -3.185 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.988 -2.532 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.655 -3.318 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 81 23.402 -4.504 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.343 -5.945 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.315 -4.219 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.840 -5.008 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.318 -6.671 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.781 -5.820 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.176 -5.517 -5.418 1.00 0.00 H new ATOM 1277 N ILE A 82 22.342 -0.265 -4.502 1.00 0.00 N ATOM 1278 CA ILE A 82 22.040 1.175 -4.459 1.00 0.00 C ATOM 1279 C ILE A 82 22.429 1.834 -5.788 1.00 0.00 C ATOM 1280 O ILE A 82 21.633 2.545 -6.394 1.00 0.00 O ATOM 1281 CB ILE A 82 22.744 1.838 -3.247 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.311 1.172 -1.917 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.443 3.350 -3.213 1.00 0.00 C ATOM 1284 CD1 ILE A 82 23.088 1.651 -0.683 1.00 0.00 C ATOM 0 H ILE A 82 23.102 -0.533 -3.876 1.00 0.00 H new ATOM 0 HA ILE A 82 20.968 1.317 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 82 23.819 1.696 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.249 1.362 -1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.431 0.093 -2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.944 3.802 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.804 3.814 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.367 3.505 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.720 1.133 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 82 24.148 1.436 -0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.949 2.725 -0.559 1.00 0.00 H new ATOM 1296 N GLN A 83 23.630 1.550 -6.301 1.00 0.00 N ATOM 1297 CA GLN A 83 24.137 2.177 -7.532 1.00 0.00 C ATOM 1298 C GLN A 83 23.355 1.749 -8.788 1.00 0.00 C ATOM 1299 O GLN A 83 23.255 2.518 -9.743 1.00 0.00 O ATOM 1300 CB GLN A 83 25.636 1.877 -7.673 1.00 0.00 C ATOM 1301 CG GLN A 83 26.445 2.614 -6.593 1.00 0.00 C ATOM 1302 CD GLN A 83 27.910 2.193 -6.566 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.196 1.007 -6.071 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.809 2.918 -6.967 1.00 0.00 N flip ATOM 0 H GLN A 83 24.277 0.883 -5.880 1.00 0.00 H new ATOM 0 HA GLN A 83 23.988 3.253 -7.447 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.806 0.803 -7.591 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.981 2.180 -8.662 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.383 3.688 -6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.998 2.424 -5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.590 3.837 -7.351 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.778 2.604 -6.918 1.00 0.00 H new ATOM 1313 N THR A 84 22.732 0.566 -8.762 1.00 0.00 N ATOM 1314 CA THR A 84 21.789 0.120 -9.801 1.00 0.00 C ATOM 1315 C THR A 84 20.541 1.003 -9.830 1.00 0.00 C ATOM 1316 O THR A 84 20.162 1.479 -10.897 1.00 0.00 O ATOM 1317 CB THR A 84 21.396 -1.349 -9.588 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.534 -2.161 -9.757 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.388 -1.864 -10.600 1.00 0.00 C ATOM 0 H THR A 84 22.867 -0.116 -8.015 1.00 0.00 H new ATOM 0 HA THR A 84 22.292 0.209 -10.764 1.00 0.00 H new ATOM 0 HB THR A 84 20.964 -1.393 -8.588 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.188 -1.957 -9.056 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.159 -2.908 -10.386 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.475 -1.272 -10.538 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.806 -1.782 -11.603 1.00 0.00 H new ATOM 1327 N GLU A 85 19.911 1.288 -8.683 1.00 0.00 N ATOM 1328 CA GLU A 85 18.728 2.158 -8.684 1.00 0.00 C ATOM 1329 C GLU A 85 19.091 3.633 -8.883 1.00 0.00 C ATOM 1330 O GLU A 85 18.315 4.367 -9.483 1.00 0.00 O ATOM 1331 CB GLU A 85 17.840 1.944 -7.447 1.00 0.00 C ATOM 1332 CG GLU A 85 18.445 2.391 -6.110 1.00 0.00 C ATOM 1333 CD GLU A 85 17.343 2.603 -5.053 1.00 0.00 C ATOM 1334 OE1 GLU A 85 17.180 1.743 -4.155 1.00 0.00 O ATOM 1335 OE2 GLU A 85 16.646 3.647 -5.116 1.00 0.00 O ATOM 0 H GLU A 85 20.191 0.940 -7.766 1.00 0.00 H new ATOM 0 HA GLU A 85 18.133 1.862 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.903 2.480 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.594 0.884 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.153 1.641 -5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.004 3.316 -6.250 1.00 0.00 H new ATOM 1342 N GLU A 86 20.265 4.100 -8.451 1.00 0.00 N ATOM 1343 CA GLU A 86 20.690 5.503 -8.610 1.00 0.00 C ATOM 1344 C GLU A 86 20.794 5.945 -10.077 1.00 0.00 C ATOM 1345 O GLU A 86 20.528 7.106 -10.386 1.00 0.00 O ATOM 1346 CB GLU A 86 22.019 5.733 -7.880 1.00 0.00 C ATOM 1347 CG GLU A 86 21.815 5.808 -6.364 1.00 0.00 C ATOM 1348 CD GLU A 86 21.410 7.228 -5.919 1.00 0.00 C ATOM 1349 OE1 GLU A 86 22.288 7.995 -5.453 1.00 0.00 O ATOM 1350 OE2 GLU A 86 20.214 7.589 -6.040 1.00 0.00 O ATOM 0 H GLU A 86 20.955 3.516 -7.978 1.00 0.00 H new ATOM 0 HA GLU A 86 19.912 6.122 -8.163 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.711 4.925 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.476 6.657 -8.234 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.045 5.098 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.734 5.515 -5.857 1.00 0.00 H new ATOM 1357 N ALA A 87 21.075 5.012 -10.995 1.00 0.00 N ATOM 1358 CA ALA A 87 20.989 5.254 -12.436 1.00 0.00 C ATOM 1359 C ALA A 87 19.545 5.529 -12.887 1.00 0.00 C ATOM 1360 O ALA A 87 19.294 6.429 -13.682 1.00 0.00 O ATOM 1361 CB ALA A 87 21.543 4.023 -13.160 1.00 0.00 C ATOM 0 H ALA A 87 21.369 4.065 -10.756 1.00 0.00 H new ATOM 0 HA ALA A 87 21.572 6.142 -12.682 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.489 4.180 -14.237 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.581 3.865 -12.867 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.953 3.147 -12.891 1.00 0.00 H new ATOM 1367 N LEU A 88 18.581 4.759 -12.368 1.00 0.00 N ATOM 1368 CA LEU A 88 17.169 4.791 -12.773 1.00 0.00 C ATOM 1369 C LEU A 88 16.380 5.882 -12.039 1.00 0.00 C ATOM 1370 O LEU A 88 15.377 6.379 -12.550 1.00 0.00 O ATOM 1371 CB LEU A 88 16.556 3.395 -12.547 1.00 0.00 C ATOM 1372 CG LEU A 88 17.329 2.204 -13.145 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.540 0.937 -12.890 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.538 2.345 -14.648 1.00 0.00 C ATOM 0 H LEU A 88 18.767 4.076 -11.633 1.00 0.00 H new ATOM 0 HA LEU A 88 17.112 5.045 -13.831 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.458 3.234 -11.473 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.549 3.392 -12.963 1.00 0.00 H new ATOM 0 HG LEU A 88 18.309 2.172 -12.669 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.075 0.085 -13.308 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.415 0.796 -11.816 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.561 1.017 -13.362 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.087 1.481 -15.022 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.570 2.403 -15.146 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.106 3.252 -14.853 1.00 0.00 H new ATOM 1386 N ASN A 89 16.874 6.311 -10.878 1.00 0.00 N ATOM 1387 CA ASN A 89 16.303 7.362 -10.032 1.00 0.00 C ATOM 1388 C ASN A 89 16.231 8.729 -10.727 1.00 0.00 C ATOM 1389 O ASN A 89 15.316 9.496 -10.448 1.00 0.00 O ATOM 1390 CB ASN A 89 17.099 7.412 -8.708 1.00 0.00 C ATOM 1391 CG ASN A 89 16.437 6.641 -7.581 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.455 7.062 -6.990 1.00 0.00 O ATOM 1393 ND2 ASN A 89 16.973 5.499 -7.259 1.00 0.00 N ATOM 0 H ASN A 89 17.726 5.916 -10.481 1.00 0.00 H new ATOM 0 HA ASN A 89 15.263 7.113 -9.822 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.098 7.009 -8.877 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.222 8.452 -8.405 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.573 4.943 -6.504 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.793 5.161 -7.762 1.00 0.00 H new ATOM 1400 N ARG A 90 17.126 9.008 -11.686 1.00 0.00 N ATOM 1401 CA ARG A 90 17.108 10.224 -12.536 1.00 0.00 C ATOM 1402 C ARG A 90 16.461 10.003 -13.922 1.00 0.00 C ATOM 1403 O ARG A 90 16.177 10.969 -14.626 1.00 0.00 O ATOM 1404 CB ARG A 90 18.559 10.753 -12.593 1.00 0.00 C ATOM 1405 CG ARG A 90 18.778 12.124 -13.260 1.00 0.00 C ATOM 1406 CD ARG A 90 17.981 13.259 -12.599 1.00 0.00 C ATOM 1407 NE ARG A 90 18.320 14.569 -13.193 1.00 0.00 N ATOM 1408 CZ ARG A 90 19.273 15.408 -12.818 1.00 0.00 C ATOM 1409 NH1 ARG A 90 20.085 15.151 -11.830 1.00 0.00 N ATOM 1410 NH2 ARG A 90 19.430 16.540 -13.443 1.00 0.00 N ATOM 0 H ARG A 90 17.904 8.385 -11.903 1.00 0.00 H new ATOM 0 HA ARG A 90 16.459 10.981 -12.096 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.940 10.808 -11.573 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.167 10.018 -13.121 1.00 0.00 H new ATOM 0 HG2 ARG A 90 19.840 12.369 -13.229 1.00 0.00 H new ATOM 0 HG3 ARG A 90 18.497 12.057 -14.311 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.913 13.071 -12.713 1.00 0.00 H new ATOM 0 HD3 ARG A 90 18.189 13.277 -11.529 1.00 0.00 H new ATOM 0 HE ARG A 90 17.751 14.862 -13.987 1.00 0.00 H new ATOM 0 HH11 ARG A 90 19.999 14.276 -11.314 1.00 0.00 H new ATOM 0 HH12 ARG A 90 20.806 15.826 -11.574 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.818 16.781 -14.223 1.00 0.00 H new ATOM 0 HH22 ARG A 90 20.165 17.185 -13.153 1.00 0.00 H new ATOM 1424 N ARG A 91 16.180 8.743 -14.291 1.00 0.00 N ATOM 1425 CA ARG A 91 15.548 8.348 -15.576 1.00 0.00 C ATOM 1426 C ARG A 91 14.021 8.346 -15.496 1.00 0.00 C ATOM 1427 O ARG A 91 13.353 8.962 -16.323 1.00 0.00 O ATOM 1428 CB ARG A 91 16.029 6.950 -16.009 1.00 0.00 C ATOM 1429 CG ARG A 91 17.501 6.878 -16.431 1.00 0.00 C ATOM 1430 CD ARG A 91 17.945 5.409 -16.588 1.00 0.00 C ATOM 1431 NE ARG A 91 18.430 5.128 -17.957 1.00 0.00 N ATOM 1432 CZ ARG A 91 17.778 4.588 -18.975 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.540 4.190 -18.889 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.374 4.440 -20.121 1.00 0.00 N ATOM 0 H ARG A 91 16.389 7.944 -13.693 1.00 0.00 H new ATOM 0 HA ARG A 91 15.850 9.092 -16.313 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.867 6.255 -15.185 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.411 6.610 -16.840 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.642 7.410 -17.372 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.124 7.375 -15.687 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.735 5.189 -15.870 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.109 4.749 -16.355 1.00 0.00 H new ATOM 0 HE ARG A 91 19.399 5.386 -18.142 1.00 0.00 H new ATOM 0 HH11 ARG A 91 16.032 4.289 -18.010 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.079 3.780 -19.701 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.342 4.740 -20.235 1.00 0.00 H new ATOM 0 HH22 ARG A 91 17.873 4.024 -20.906 1.00 0.00 H new ATOM 1448 N GLN A 92 13.489 7.604 -14.516 1.00 0.00 N ATOM 1449 CA GLN A 92 12.057 7.254 -14.441 1.00 0.00 C ATOM 1450 C GLN A 92 11.454 7.252 -13.032 1.00 0.00 C ATOM 1451 O GLN A 92 10.326 7.707 -12.853 1.00 0.00 O ATOM 1452 CB GLN A 92 11.823 5.899 -15.133 1.00 0.00 C ATOM 1453 CG GLN A 92 12.745 4.744 -14.685 1.00 0.00 C ATOM 1454 CD GLN A 92 12.259 3.398 -15.218 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.767 2.867 -16.197 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.253 2.805 -14.606 1.00 0.00 N ATOM 0 H GLN A 92 14.040 7.225 -13.746 1.00 0.00 H new ATOM 0 HA GLN A 92 11.530 8.054 -14.961 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.789 5.600 -14.962 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.942 6.037 -16.208 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.760 4.930 -15.037 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.786 4.712 -13.596 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.824 3.241 -13.790 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.903 1.910 -14.949 1.00 0.00 H new ATOM 1465 N ILE A 93 12.201 6.800 -12.013 1.00 0.00 N ATOM 1466 CA ILE A 93 11.673 6.714 -10.628 1.00 0.00 C ATOM 1467 C ILE A 93 11.466 8.122 -10.032 1.00 0.00 C ATOM 1468 O ILE A 93 10.691 8.297 -9.102 1.00 0.00 O ATOM 1469 CB ILE A 93 12.530 5.792 -9.712 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.070 4.530 -10.438 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.692 5.366 -8.492 1.00 0.00 C ATOM 1472 CD1 ILE A 93 13.896 3.568 -9.571 1.00 0.00 C ATOM 0 H ILE A 93 13.167 6.488 -12.113 1.00 0.00 H new ATOM 0 HA ILE A 93 10.695 6.235 -10.681 1.00 0.00 H new ATOM 0 HB ILE A 93 13.401 6.371 -9.405 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.224 3.982 -10.853 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.685 4.852 -11.279 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.289 4.720 -7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.385 6.251 -7.934 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.808 4.825 -8.829 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.223 2.722 -10.176 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.767 4.091 -9.177 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.284 3.207 -8.744 1.00 0.00 H new