USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 577 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 43 HIS : no HE2:sc= -0.249 K(o=-0.33,f=-3.5) USER MOD Set 1.2: A 46 THR OG1 : rot -152:sc= -0.0799 USER MOD Single : A 4 THR OG1 : rot -19:sc= 0.425 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -6.79! C(o=-6.8!,f=-11!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.265 (180deg=-0.954) USER MOD Single : A 18 TYR OH : rot 180:sc= -1.06! USER MOD Single : A 23 SER OG : rot -66:sc= 1.1 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 52:sc= 0.919 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc=-0.00629 K(o=-0.0063,f=-1) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -153:sc= 0.00355 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 15:sc= -1.36 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -170:sc= -0.673 USER MOD Single : A 63 GLN : amide:sc= -1.32 K(o=-1.3,f=-4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 48:sc= 0.556 USER MOD Single : A 68 HIS : no HD1:sc= -0.513 K(o=-0.51,f=-1.9) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 0.451 3.576 -8.531 1.00 53.31 N ATOM 49 CA THR A 4 0.864 4.087 -9.832 1.00 70.00 C ATOM 50 C THR A 4 -0.065 3.596 -10.936 1.00 72.31 C ATOM 51 O THR A 4 -0.862 2.680 -10.728 1.00 22.02 O ATOM 52 CB THR A 4 2.308 3.668 -10.167 1.00 73.43 C ATOM 53 OG1 THR A 4 2.557 2.342 -9.687 1.00 72.22 O ATOM 54 CG2 THR A 4 3.309 4.633 -9.550 1.00 33.51 C ATOM 0 HA THR A 4 0.813 5.174 -9.775 1.00 70.00 H new ATOM 0 HB THR A 4 2.427 3.690 -11.250 1.00 73.43 H new ATOM 0 HG1 THR A 4 1.896 2.113 -9.001 1.00 72.22 H new ATOM 0 HG21 THR A 4 4.321 4.316 -9.800 1.00 33.51 H new ATOM 0 HG22 THR A 4 3.136 5.636 -9.940 1.00 33.51 H new ATOM 0 HG23 THR A 4 3.188 4.639 -8.467 1.00 33.51 H new ATOM 62 N ILE A 5 0.042 4.209 -12.110 1.00 23.11 N ATOM 63 CA ILE A 5 -0.788 3.832 -13.247 1.00 62.31 C ATOM 64 C ILE A 5 0.005 3.011 -14.258 1.00 63.13 C ATOM 65 O ILE A 5 1.153 2.638 -14.009 1.00 15.21 O ATOM 66 CB ILE A 5 -1.372 5.070 -13.953 1.00 30.31 C ATOM 67 CG1 ILE A 5 -0.258 5.870 -14.631 1.00 12.22 C ATOM 68 CG2 ILE A 5 -2.127 5.939 -12.959 1.00 1.24 C ATOM 69 CD1 ILE A 5 -0.323 5.836 -16.142 1.00 14.33 C ATOM 0 H ILE A 5 0.696 4.969 -12.299 1.00 23.11 H new ATOM 0 HA ILE A 5 -1.606 3.228 -12.854 1.00 62.31 H new ATOM 0 HB ILE A 5 -2.072 4.737 -14.719 1.00 30.31 H new ATOM 0 HG12 ILE A 5 -0.311 6.906 -14.296 1.00 12.22 H new ATOM 0 HG13 ILE A 5 0.707 5.479 -14.308 1.00 12.22 H new ATOM 0 HG21 ILE A 5 -2.534 6.810 -13.473 1.00 1.24 H new ATOM 0 HG22 ILE A 5 -2.942 5.364 -12.518 1.00 1.24 H new ATOM 0 HG23 ILE A 5 -1.447 6.267 -12.172 1.00 1.24 H new ATOM 0 HD11 ILE A 5 0.497 6.424 -16.555 1.00 14.33 H new ATOM 0 HD12 ILE A 5 -0.240 4.805 -16.487 1.00 14.33 H new ATOM 0 HD13 ILE A 5 -1.273 6.254 -16.475 1.00 14.33 H new ATOM 81 N LEU A 6 -0.612 2.734 -15.401 1.00 73.33 N ATOM 82 CA LEU A 6 0.036 1.958 -16.453 1.00 4.11 C ATOM 83 C LEU A 6 -0.625 2.213 -17.804 1.00 22.52 C ATOM 84 O LEU A 6 0.022 2.665 -18.748 1.00 31.34 O ATOM 85 CB LEU A 6 -0.016 0.466 -16.120 1.00 0.14 C ATOM 86 CG LEU A 6 1.301 -0.299 -16.256 1.00 51.23 C ATOM 87 CD1 LEU A 6 1.575 -1.118 -15.005 1.00 34.51 C ATOM 88 CD2 LEU A 6 1.273 -1.194 -17.487 1.00 14.23 C ATOM 0 H LEU A 6 -1.561 3.035 -15.623 1.00 73.33 H new ATOM 0 HA LEU A 6 1.077 2.274 -16.514 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -0.373 0.355 -15.096 1.00 0.14 H new ATOM 0 HB3 LEU A 6 -0.755 -0.005 -16.768 1.00 0.14 H new ATOM 0 HG LEU A 6 2.108 0.424 -16.375 1.00 51.23 H new ATOM 0 HD11 LEU A 6 2.516 -1.655 -15.121 1.00 34.51 H new ATOM 0 HD12 LEU A 6 1.640 -0.454 -14.143 1.00 34.51 H new ATOM 0 HD13 LEU A 6 0.766 -1.832 -14.853 1.00 34.51 H new ATOM 0 HD21 LEU A 6 2.218 -1.731 -17.568 1.00 14.23 H new ATOM 0 HD22 LEU A 6 0.456 -1.910 -17.398 1.00 14.23 H new ATOM 0 HD23 LEU A 6 1.125 -0.583 -18.378 1.00 14.23 H new ATOM 100 N GLY A 7 -1.919 1.920 -17.888 1.00 13.41 N ATOM 101 CA GLY A 7 -2.647 2.126 -19.126 1.00 51.14 C ATOM 102 C GLY A 7 -3.347 3.470 -19.171 1.00 74.31 C ATOM 103 O GLY A 7 -3.838 3.955 -18.152 1.00 11.45 O ATOM 0 H GLY A 7 -2.476 1.544 -17.121 1.00 13.41 H new ATOM 0 HA2 GLY A 7 -1.957 2.051 -19.966 1.00 51.14 H new ATOM 0 HA3 GLY A 7 -3.384 1.332 -19.247 1.00 51.14 H new ATOM 107 N ILE A 8 -3.393 4.072 -20.354 1.00 42.44 N ATOM 108 CA ILE A 8 -4.037 5.368 -20.527 1.00 15.20 C ATOM 109 C ILE A 8 -5.100 5.312 -21.619 1.00 41.55 C ATOM 110 O ILE A 8 -4.938 4.615 -22.620 1.00 53.13 O ATOM 111 CB ILE A 8 -3.014 6.464 -20.877 1.00 42.14 C ATOM 112 CG1 ILE A 8 -3.687 7.838 -20.885 1.00 12.02 C ATOM 113 CG2 ILE A 8 -2.370 6.176 -22.226 1.00 13.34 C ATOM 114 CD1 ILE A 8 -4.190 8.257 -22.249 1.00 4.34 C ATOM 0 H ILE A 8 -2.992 3.683 -21.207 1.00 42.44 H new ATOM 0 HA ILE A 8 -4.509 5.615 -19.576 1.00 15.20 H new ATOM 0 HB ILE A 8 -2.233 6.467 -20.116 1.00 42.14 H new ATOM 0 HG12 ILE A 8 -4.523 7.828 -20.186 1.00 12.02 H new ATOM 0 HG13 ILE A 8 -2.978 8.583 -20.524 1.00 12.02 H new ATOM 0 HG21 ILE A 8 -1.649 6.959 -22.460 1.00 13.34 H new ATOM 0 HG22 ILE A 8 -1.860 5.213 -22.188 1.00 13.34 H new ATOM 0 HG23 ILE A 8 -3.139 6.149 -22.998 1.00 13.34 H new ATOM 0 HD11 ILE A 8 -4.655 9.240 -22.179 1.00 4.34 H new ATOM 0 HD12 ILE A 8 -3.354 8.300 -22.948 1.00 4.34 H new ATOM 0 HD13 ILE A 8 -4.923 7.533 -22.604 1.00 4.34 H new ATOM 126 N GLU A 9 -6.185 6.054 -21.420 1.00 74.42 N ATOM 127 CA GLU A 9 -7.274 6.089 -22.390 1.00 20.22 C ATOM 128 C GLU A 9 -7.742 7.521 -22.631 1.00 3.22 C ATOM 129 O GLU A 9 -8.074 8.244 -21.691 1.00 51.14 O ATOM 130 CB GLU A 9 -8.446 5.233 -21.905 1.00 60.33 C ATOM 131 CG GLU A 9 -8.688 3.996 -22.754 1.00 53.14 C ATOM 132 CD GLU A 9 -10.070 3.406 -22.545 1.00 44.42 C ATOM 133 OE1 GLU A 9 -11.060 4.159 -22.654 1.00 44.44 O ATOM 134 OE2 GLU A 9 -10.160 2.191 -22.273 1.00 21.15 O ATOM 0 H GLU A 9 -6.333 6.638 -20.597 1.00 74.42 H new ATOM 0 HA GLU A 9 -6.902 5.683 -23.331 1.00 20.22 H new ATOM 0 HB2 GLU A 9 -8.260 4.926 -20.876 1.00 60.33 H new ATOM 0 HB3 GLU A 9 -9.351 5.841 -21.898 1.00 60.33 H new ATOM 0 HG2 GLU A 9 -8.561 4.251 -23.806 1.00 53.14 H new ATOM 0 HG3 GLU A 9 -7.936 3.244 -22.516 1.00 53.14 H new ATOM 141 N VAL A 10 -7.764 7.925 -23.897 1.00 51.01 N ATOM 142 CA VAL A 10 -8.191 9.270 -24.263 1.00 51.21 C ATOM 143 C VAL A 10 -9.702 9.422 -24.132 1.00 75.44 C ATOM 144 O VAL A 10 -10.466 8.645 -24.706 1.00 54.53 O ATOM 145 CB VAL A 10 -7.774 9.619 -25.704 1.00 70.22 C ATOM 146 CG1 VAL A 10 -8.358 8.615 -26.687 1.00 0.31 C ATOM 147 CG2 VAL A 10 -8.206 11.035 -26.056 1.00 25.44 C ATOM 0 H VAL A 10 -7.491 7.340 -24.687 1.00 51.01 H new ATOM 0 HA VAL A 10 -7.699 9.956 -23.574 1.00 51.21 H new ATOM 0 HB VAL A 10 -6.687 9.568 -25.771 1.00 70.22 H new ATOM 0 HG11 VAL A 10 -8.053 8.878 -27.700 1.00 0.31 H new ATOM 0 HG12 VAL A 10 -7.994 7.616 -26.446 1.00 0.31 H new ATOM 0 HG13 VAL A 10 -9.446 8.631 -26.620 1.00 0.31 H new ATOM 0 HG21 VAL A 10 -7.903 11.264 -27.078 1.00 25.44 H new ATOM 0 HG22 VAL A 10 -9.290 11.116 -25.972 1.00 25.44 H new ATOM 0 HG23 VAL A 10 -7.735 11.740 -25.371 1.00 25.44 H new ATOM 157 N SER A 11 -10.128 10.427 -23.374 1.00 24.12 N ATOM 158 CA SER A 11 -11.549 10.679 -23.165 1.00 25.24 C ATOM 159 C SER A 11 -11.842 12.176 -23.174 1.00 1.02 C ATOM 160 O SER A 11 -12.785 12.638 -22.531 1.00 64.25 O ATOM 161 CB SER A 11 -12.007 10.066 -21.840 1.00 72.21 C ATOM 162 OG SER A 11 -13.347 9.611 -21.925 1.00 44.13 O ATOM 0 H SER A 11 -9.509 11.080 -22.894 1.00 24.12 H new ATOM 0 HA SER A 11 -12.100 10.214 -23.982 1.00 25.24 H new ATOM 0 HB2 SER A 11 -11.353 9.235 -21.575 1.00 72.21 H new ATOM 0 HB3 SER A 11 -11.921 10.806 -21.044 1.00 72.21 H new ATOM 0 HG SER A 11 -13.616 9.222 -21.066 1.00 44.13 H new ATOM 168 N GLN A 12 -11.027 12.928 -23.907 1.00 21.23 N ATOM 169 CA GLN A 12 -11.198 14.373 -23.999 1.00 71.12 C ATOM 170 C GLN A 12 -12.102 14.740 -25.172 1.00 3.03 C ATOM 171 O GLN A 12 -11.920 14.247 -26.284 1.00 54.25 O ATOM 172 CB GLN A 12 -9.840 15.060 -24.152 1.00 20.21 C ATOM 173 CG GLN A 12 -8.978 14.465 -25.254 1.00 10.30 C ATOM 174 CD GLN A 12 -7.710 13.827 -24.723 1.00 22.13 C ATOM 175 OE1 GLN A 12 -6.626 14.020 -25.274 1.00 42.00 O ATOM 176 NE2 GLN A 12 -7.839 13.061 -23.646 1.00 24.04 N ATOM 0 H GLN A 12 -10.242 12.561 -24.445 1.00 21.23 H new ATOM 0 HA GLN A 12 -11.669 14.717 -23.078 1.00 71.12 H new ATOM 0 HB2 GLN A 12 -9.999 16.119 -24.358 1.00 20.21 H new ATOM 0 HB3 GLN A 12 -9.301 14.996 -23.207 1.00 20.21 H new ATOM 0 HG2 GLN A 12 -9.556 13.718 -25.798 1.00 10.30 H new ATOM 0 HG3 GLN A 12 -8.716 15.247 -25.967 1.00 10.30 H new ATOM 0 HE21 GLN A 12 -8.757 12.928 -23.221 1.00 24.04 H new ATOM 0 HE22 GLN A 12 -7.020 12.605 -23.243 1.00 24.04 H new ATOM 185 N GLU A 13 -13.075 15.608 -24.913 1.00 60.14 N ATOM 186 CA GLU A 13 -14.007 16.039 -25.948 1.00 53.42 C ATOM 187 C GLU A 13 -13.706 17.469 -26.390 1.00 71.43 C ATOM 188 O GLU A 13 -13.121 18.263 -25.654 1.00 25.32 O ATOM 189 CB GLU A 13 -15.447 15.944 -25.440 1.00 75.24 C ATOM 190 CG GLU A 13 -15.984 14.523 -25.395 1.00 23.22 C ATOM 191 CD GLU A 13 -17.473 14.452 -25.673 1.00 64.11 C ATOM 192 OE1 GLU A 13 -18.239 15.151 -24.978 1.00 53.32 O ATOM 193 OE2 GLU A 13 -17.871 13.698 -26.585 1.00 31.42 O ATOM 0 H GLU A 13 -13.238 16.026 -23.997 1.00 60.14 H new ATOM 0 HA GLU A 13 -13.887 15.378 -26.807 1.00 53.42 H new ATOM 0 HB2 GLU A 13 -15.500 16.375 -24.440 1.00 75.24 H new ATOM 0 HB3 GLU A 13 -16.090 16.546 -26.082 1.00 75.24 H new ATOM 0 HG2 GLU A 13 -15.452 13.915 -26.127 1.00 23.22 H new ATOM 0 HG3 GLU A 13 -15.781 14.093 -24.414 1.00 23.22 H new ATOM 200 N PRO A 14 -14.115 17.805 -27.623 1.00 30.13 N ATOM 201 CA PRO A 14 -13.900 19.139 -28.192 1.00 33.35 C ATOM 202 C PRO A 14 -14.754 20.203 -27.511 1.00 53.34 C ATOM 203 O PRO A 14 -15.962 20.032 -27.344 1.00 21.12 O ATOM 204 CB PRO A 14 -14.318 18.972 -29.655 1.00 35.05 C ATOM 205 CG PRO A 14 -15.281 17.835 -29.646 1.00 54.31 C ATOM 206 CD PRO A 14 -14.819 16.909 -28.556 1.00 30.05 C ATOM 0 HA PRO A 14 -12.871 19.476 -28.065 1.00 33.35 H new ATOM 0 HB2 PRO A 14 -14.781 19.880 -30.041 1.00 35.05 H new ATOM 0 HB3 PRO A 14 -13.459 18.758 -30.290 1.00 35.05 H new ATOM 0 HG2 PRO A 14 -16.296 18.185 -29.457 1.00 54.31 H new ATOM 0 HG3 PRO A 14 -15.294 17.327 -30.610 1.00 54.31 H new ATOM 0 HD2 PRO A 14 -15.657 16.406 -28.074 1.00 30.05 H new ATOM 0 HD3 PRO A 14 -14.159 16.132 -28.942 1.00 30.05 H new ATOM 214 N LYS A 15 -14.120 21.304 -27.121 1.00 70.25 N ATOM 215 CA LYS A 15 -14.821 22.398 -26.461 1.00 13.31 C ATOM 216 C LYS A 15 -13.896 23.593 -26.257 1.00 44.43 C ATOM 217 O LYS A 15 -13.930 24.556 -27.024 1.00 12.44 O ATOM 218 CB LYS A 15 -15.377 21.935 -25.112 1.00 73.25 C ATOM 219 CG LYS A 15 -16.870 21.655 -25.134 1.00 11.53 C ATOM 220 CD LYS A 15 -17.611 22.505 -24.115 1.00 20.24 C ATOM 221 CE LYS A 15 -19.078 22.115 -24.025 1.00 74.22 C ATOM 222 NZ LYS A 15 -19.977 23.272 -24.290 1.00 11.44 N ATOM 0 H LYS A 15 -13.121 21.462 -27.251 1.00 70.25 H new ATOM 0 HA LYS A 15 -15.647 22.705 -27.102 1.00 13.31 H new ATOM 0 HB2 LYS A 15 -14.851 21.032 -24.802 1.00 73.25 H new ATOM 0 HB3 LYS A 15 -15.170 22.698 -24.362 1.00 73.25 H new ATOM 0 HG2 LYS A 15 -17.264 21.854 -26.131 1.00 11.53 H new ATOM 0 HG3 LYS A 15 -17.046 20.600 -24.926 1.00 11.53 H new ATOM 0 HD2 LYS A 15 -17.143 22.393 -23.137 1.00 20.24 H new ATOM 0 HD3 LYS A 15 -17.529 23.557 -24.389 1.00 20.24 H new ATOM 0 HE2 LYS A 15 -19.287 21.321 -24.742 1.00 74.22 H new ATOM 0 HE3 LYS A 15 -19.287 21.713 -23.034 1.00 74.22 H new ATOM 0 HZ1 LYS A 15 -20.968 22.965 -24.219 1.00 11.44 H new ATOM 0 HZ2 LYS A 15 -19.795 24.020 -23.591 1.00 11.44 H new ATOM 0 HZ3 LYS A 15 -19.796 23.640 -25.246 1.00 11.44 H new ATOM 236 N LYS A 16 -13.067 23.525 -25.221 1.00 34.44 N ATOM 237 CA LYS A 16 -12.130 24.599 -24.917 1.00 43.22 C ATOM 238 C LYS A 16 -12.807 25.961 -25.031 1.00 73.05 C ATOM 239 O LYS A 16 -12.529 26.728 -25.953 1.00 63.03 O ATOM 240 CB LYS A 16 -10.927 24.536 -25.861 1.00 25.52 C ATOM 241 CG LYS A 16 -9.757 23.744 -25.302 1.00 43.12 C ATOM 242 CD LYS A 16 -9.910 22.257 -25.572 1.00 32.40 C ATOM 243 CE LYS A 16 -9.023 21.804 -26.721 1.00 44.02 C ATOM 244 NZ LYS A 16 -7.609 21.619 -26.291 1.00 31.13 N ATOM 0 H LYS A 16 -13.025 22.735 -24.577 1.00 34.44 H new ATOM 0 HA LYS A 16 -11.787 24.468 -23.891 1.00 43.22 H new ATOM 0 HB2 LYS A 16 -11.239 24.090 -26.805 1.00 25.52 H new ATOM 0 HB3 LYS A 16 -10.596 25.551 -26.082 1.00 25.52 H new ATOM 0 HG2 LYS A 16 -8.829 24.102 -25.747 1.00 43.12 H new ATOM 0 HG3 LYS A 16 -9.682 23.914 -24.228 1.00 43.12 H new ATOM 0 HD2 LYS A 16 -9.657 21.695 -24.673 1.00 32.40 H new ATOM 0 HD3 LYS A 16 -10.951 22.034 -25.805 1.00 32.40 H new ATOM 0 HE2 LYS A 16 -9.405 20.867 -27.127 1.00 44.02 H new ATOM 0 HE3 LYS A 16 -9.065 22.540 -27.524 1.00 44.02 H new ATOM 0 HZ1 LYS A 16 -6.982 21.697 -27.117 1.00 31.13 H new ATOM 0 HZ2 LYS A 16 -7.359 22.351 -25.596 1.00 31.13 H new ATOM 0 HZ3 LYS A 16 -7.498 20.679 -25.859 1.00 31.13 H new ATOM 258 N ASP A 17 -13.696 26.255 -24.089 1.00 52.22 N ATOM 259 CA ASP A 17 -14.411 27.526 -24.083 1.00 35.01 C ATOM 260 C ASP A 17 -13.984 28.384 -22.897 1.00 2.54 C ATOM 261 O ASP A 17 -14.110 27.974 -21.743 1.00 22.22 O ATOM 262 CB ASP A 17 -15.921 27.286 -24.036 1.00 72.44 C ATOM 263 CG ASP A 17 -16.592 27.559 -25.368 1.00 73.31 C ATOM 264 OD1 ASP A 17 -16.437 26.732 -26.291 1.00 33.33 O ATOM 265 OD2 ASP A 17 -17.272 28.600 -25.488 1.00 62.21 O ATOM 0 H ASP A 17 -13.939 25.631 -23.320 1.00 52.22 H new ATOM 0 HA ASP A 17 -14.163 28.058 -25.002 1.00 35.01 H new ATOM 0 HB2 ASP A 17 -16.113 26.255 -23.740 1.00 72.44 H new ATOM 0 HB3 ASP A 17 -16.364 27.925 -23.272 1.00 72.44 H new ATOM 270 N TYR A 18 -13.477 29.577 -23.188 1.00 40.14 N ATOM 271 CA TYR A 18 -13.027 30.492 -22.146 1.00 51.22 C ATOM 272 C TYR A 18 -13.755 31.829 -22.244 1.00 13.33 C ATOM 273 O TYR A 18 -13.972 32.353 -23.337 1.00 54.51 O ATOM 274 CB TYR A 18 -11.517 30.713 -22.249 1.00 20.42 C ATOM 275 CG TYR A 18 -10.742 29.455 -22.571 1.00 70.11 C ATOM 276 CD1 TYR A 18 -11.056 28.247 -21.961 1.00 30.41 C ATOM 277 CD2 TYR A 18 -9.695 29.475 -23.485 1.00 35.24 C ATOM 278 CE1 TYR A 18 -10.350 27.095 -22.252 1.00 34.04 C ATOM 279 CE2 TYR A 18 -8.985 28.328 -23.783 1.00 34.05 C ATOM 280 CZ TYR A 18 -9.316 27.141 -23.163 1.00 74.34 C ATOM 281 OH TYR A 18 -8.611 25.996 -23.456 1.00 44.33 O ATOM 0 H TYR A 18 -13.367 29.933 -24.138 1.00 40.14 H new ATOM 0 HA TYR A 18 -13.257 30.043 -21.180 1.00 51.22 H new ATOM 0 HB2 TYR A 18 -11.319 31.459 -23.019 1.00 20.42 H new ATOM 0 HB3 TYR A 18 -11.153 31.123 -21.307 1.00 20.42 H new ATOM 0 HD1 TYR A 18 -11.866 28.207 -21.247 1.00 30.41 H new ATOM 0 HD2 TYR A 18 -9.432 30.403 -23.971 1.00 35.24 H new ATOM 0 HE1 TYR A 18 -10.607 26.164 -21.769 1.00 34.04 H new ATOM 0 HE2 TYR A 18 -8.176 28.360 -24.497 1.00 34.05 H new ATOM 0 HH TYR A 18 -7.917 26.199 -24.117 1.00 44.33 H new ATOM 291 N LEU A 19 -14.130 32.377 -21.093 1.00 21.43 N ATOM 292 CA LEU A 19 -14.833 33.654 -21.046 1.00 35.31 C ATOM 293 C LEU A 19 -13.875 34.791 -20.708 1.00 51.34 C ATOM 294 O LEU A 19 -12.831 34.576 -20.092 1.00 72.45 O ATOM 295 CB LEU A 19 -15.962 33.599 -20.015 1.00 1.24 C ATOM 296 CG LEU A 19 -17.293 33.031 -20.506 1.00 75.50 C ATOM 297 CD1 LEU A 19 -17.810 33.830 -21.692 1.00 12.10 C ATOM 298 CD2 LEU A 19 -17.142 31.562 -20.876 1.00 15.15 C ATOM 0 H LEU A 19 -13.959 31.956 -20.180 1.00 21.43 H new ATOM 0 HA LEU A 19 -15.258 33.843 -22.032 1.00 35.31 H new ATOM 0 HB2 LEU A 19 -15.625 33.001 -19.169 1.00 1.24 H new ATOM 0 HB3 LEU A 19 -16.136 34.608 -19.643 1.00 1.24 H new ATOM 0 HG LEU A 19 -18.019 33.109 -19.697 1.00 75.50 H new ATOM 0 HD11 LEU A 19 -18.758 33.411 -22.028 1.00 12.10 H new ATOM 0 HD12 LEU A 19 -17.957 34.868 -21.395 1.00 12.10 H new ATOM 0 HD13 LEU A 19 -17.085 33.785 -22.505 1.00 12.10 H new ATOM 0 HD21 LEU A 19 -18.100 31.174 -21.223 1.00 15.15 H new ATOM 0 HD22 LEU A 19 -16.400 31.461 -21.668 1.00 15.15 H new ATOM 0 HD23 LEU A 19 -16.818 30.998 -20.001 1.00 15.15 H new ATOM 310 N VAL A 20 -14.238 36.004 -21.114 1.00 40.02 N ATOM 311 CA VAL A 20 -13.412 37.177 -20.852 1.00 33.20 C ATOM 312 C VAL A 20 -13.055 37.278 -19.373 1.00 54.23 C ATOM 313 O VAL A 20 -13.902 37.076 -18.504 1.00 54.32 O ATOM 314 CB VAL A 20 -14.123 38.472 -21.287 1.00 41.13 C ATOM 315 CG1 VAL A 20 -14.534 38.390 -22.749 1.00 53.14 C ATOM 316 CG2 VAL A 20 -15.329 38.742 -20.400 1.00 24.01 C ATOM 0 H VAL A 20 -15.098 36.200 -21.626 1.00 40.02 H new ATOM 0 HA VAL A 20 -12.499 37.059 -21.436 1.00 33.20 H new ATOM 0 HB VAL A 20 -13.426 39.303 -21.176 1.00 41.13 H new ATOM 0 HG11 VAL A 20 -15.035 39.314 -23.039 1.00 53.14 H new ATOM 0 HG12 VAL A 20 -13.648 38.248 -23.368 1.00 53.14 H new ATOM 0 HG13 VAL A 20 -15.214 37.549 -22.889 1.00 53.14 H new ATOM 0 HG21 VAL A 20 -15.819 39.661 -20.722 1.00 24.01 H new ATOM 0 HG22 VAL A 20 -16.030 37.911 -20.476 1.00 24.01 H new ATOM 0 HG23 VAL A 20 -15.003 38.848 -19.365 1.00 24.01 H new ATOM 326 N GLY A 21 -11.794 37.593 -19.095 1.00 10.34 N ATOM 327 CA GLY A 21 -11.347 37.717 -17.720 1.00 24.44 C ATOM 328 C GLY A 21 -11.548 36.440 -16.928 1.00 13.04 C ATOM 329 O GLY A 21 -11.578 36.463 -15.697 1.00 43.10 O ATOM 0 H GLY A 21 -11.074 37.764 -19.797 1.00 10.34 H new ATOM 0 HA2 GLY A 21 -10.291 37.986 -17.707 1.00 24.44 H new ATOM 0 HA3 GLY A 21 -11.889 38.530 -17.237 1.00 24.44 H new ATOM 333 N ASP A 22 -11.689 35.324 -17.634 1.00 32.32 N ATOM 334 CA ASP A 22 -11.890 34.031 -16.989 1.00 10.31 C ATOM 335 C ASP A 22 -10.710 33.102 -17.255 1.00 2.01 C ATOM 336 O ASP A 22 -10.478 32.149 -16.512 1.00 21.43 O ATOM 337 CB ASP A 22 -13.185 33.386 -17.484 1.00 71.13 C ATOM 338 CG ASP A 22 -14.012 32.805 -16.354 1.00 41.30 C ATOM 339 OD1 ASP A 22 -14.651 33.590 -15.623 1.00 51.32 O ATOM 340 OD2 ASP A 22 -14.019 31.566 -16.200 1.00 32.23 O ATOM 0 H ASP A 22 -11.668 35.288 -18.653 1.00 32.32 H new ATOM 0 HA ASP A 22 -11.964 34.196 -15.914 1.00 10.31 H new ATOM 0 HB2 ASP A 22 -13.777 34.130 -18.018 1.00 71.13 H new ATOM 0 HB3 ASP A 22 -12.945 32.597 -18.197 1.00 71.13 H new ATOM 345 N SER A 23 -9.968 33.386 -18.320 1.00 42.35 N ATOM 346 CA SER A 23 -8.814 32.573 -18.688 1.00 14.23 C ATOM 347 C SER A 23 -9.239 31.145 -19.015 1.00 23.32 C ATOM 348 O SER A 23 -10.428 30.851 -19.140 1.00 54.23 O ATOM 349 CB SER A 23 -7.788 32.565 -17.554 1.00 4.24 C ATOM 350 OG SER A 23 -7.984 31.455 -16.696 1.00 20.44 O ATOM 0 H SER A 23 -10.145 34.173 -18.944 1.00 42.35 H new ATOM 0 HA SER A 23 -8.359 33.011 -19.577 1.00 14.23 H new ATOM 0 HB2 SER A 23 -6.781 32.533 -17.971 1.00 4.24 H new ATOM 0 HB3 SER A 23 -7.867 33.489 -16.982 1.00 4.24 H new ATOM 0 HG SER A 23 -8.839 31.551 -16.227 1.00 20.44 H new ATOM 356 N LEU A 24 -8.258 30.260 -19.152 1.00 24.31 N ATOM 357 CA LEU A 24 -8.527 28.861 -19.465 1.00 34.44 C ATOM 358 C LEU A 24 -9.572 28.282 -18.515 1.00 64.01 C ATOM 359 O LEU A 24 -9.817 28.828 -17.439 1.00 71.12 O ATOM 360 CB LEU A 24 -7.238 28.042 -19.383 1.00 71.53 C ATOM 361 CG LEU A 24 -6.398 27.983 -20.660 1.00 14.11 C ATOM 362 CD1 LEU A 24 -4.919 28.110 -20.332 1.00 22.41 C ATOM 363 CD2 LEU A 24 -6.670 26.692 -21.418 1.00 51.13 C ATOM 0 H LEU A 24 -7.269 30.486 -19.051 1.00 24.31 H new ATOM 0 HA LEU A 24 -8.918 28.810 -20.481 1.00 34.44 H new ATOM 0 HB2 LEU A 24 -6.620 28.453 -18.584 1.00 71.53 H new ATOM 0 HB3 LEU A 24 -7.496 27.023 -19.094 1.00 71.53 H new ATOM 0 HG LEU A 24 -6.681 28.821 -21.297 1.00 14.11 H new ATOM 0 HD11 LEU A 24 -4.337 28.066 -21.253 1.00 22.41 H new ATOM 0 HD12 LEU A 24 -4.737 29.062 -19.833 1.00 22.41 H new ATOM 0 HD13 LEU A 24 -4.621 27.293 -19.675 1.00 22.41 H new ATOM 0 HD21 LEU A 24 -6.064 26.667 -22.324 1.00 51.13 H new ATOM 0 HD22 LEU A 24 -6.416 25.840 -20.788 1.00 51.13 H new ATOM 0 HD23 LEU A 24 -7.725 26.643 -21.686 1.00 51.13 H new ATOM 375 N ASP A 25 -10.181 27.173 -18.919 1.00 54.24 N ATOM 376 CA ASP A 25 -11.197 26.518 -18.103 1.00 41.02 C ATOM 377 C ASP A 25 -11.692 25.241 -18.774 1.00 74.22 C ATOM 378 O ASP A 25 -12.862 24.874 -18.649 1.00 3.23 O ATOM 379 CB ASP A 25 -12.371 27.466 -17.854 1.00 2.25 C ATOM 380 CG ASP A 25 -12.967 27.298 -16.470 1.00 25.04 C ATOM 381 OD1 ASP A 25 -12.711 26.252 -15.837 1.00 43.31 O ATOM 382 OD2 ASP A 25 -13.689 28.212 -16.019 1.00 73.23 O ATOM 0 H ASP A 25 -9.989 26.709 -19.807 1.00 54.24 H new ATOM 0 HA ASP A 25 -10.745 26.253 -17.147 1.00 41.02 H new ATOM 0 HB2 ASP A 25 -12.036 28.496 -17.980 1.00 2.25 H new ATOM 0 HB3 ASP A 25 -13.143 27.288 -18.603 1.00 2.25 H new ATOM 387 N LEU A 26 -10.797 24.568 -19.488 1.00 25.45 N ATOM 388 CA LEU A 26 -11.143 23.331 -20.180 1.00 5.01 C ATOM 389 C LEU A 26 -11.732 22.311 -19.211 1.00 51.00 C ATOM 390 O LEU A 26 -11.130 21.995 -18.185 1.00 71.50 O ATOM 391 CB LEU A 26 -9.907 22.745 -20.866 1.00 75.12 C ATOM 392 CG LEU A 26 -10.121 21.438 -21.630 1.00 71.25 C ATOM 393 CD1 LEU A 26 -11.242 21.591 -22.647 1.00 45.14 C ATOM 394 CD2 LEU A 26 -8.833 21.003 -22.315 1.00 12.44 C ATOM 0 H LEU A 26 -9.826 24.858 -19.603 1.00 25.45 H new ATOM 0 HA LEU A 26 -11.894 23.564 -20.934 1.00 5.01 H new ATOM 0 HB2 LEU A 26 -9.514 23.488 -21.560 1.00 75.12 H new ATOM 0 HB3 LEU A 26 -9.140 22.579 -20.109 1.00 75.12 H new ATOM 0 HG LEU A 26 -10.408 20.666 -20.916 1.00 71.25 H new ATOM 0 HD11 LEU A 26 -11.380 20.651 -23.181 1.00 45.14 H new ATOM 0 HD12 LEU A 26 -12.166 21.855 -22.133 1.00 45.14 H new ATOM 0 HD13 LEU A 26 -10.984 22.377 -23.357 1.00 45.14 H new ATOM 0 HD21 LEU A 26 -9.004 20.071 -22.854 1.00 12.44 H new ATOM 0 HD22 LEU A 26 -8.515 21.775 -23.016 1.00 12.44 H new ATOM 0 HD23 LEU A 26 -8.056 20.851 -21.566 1.00 12.44 H new ATOM 406 N SER A 27 -12.912 21.799 -19.545 1.00 71.50 N ATOM 407 CA SER A 27 -13.584 20.815 -18.704 1.00 11.12 C ATOM 408 C SER A 27 -13.822 19.517 -19.470 1.00 11.24 C ATOM 409 O SER A 27 -13.785 18.430 -18.895 1.00 23.22 O ATOM 410 CB SER A 27 -14.915 21.372 -18.195 1.00 52.04 C ATOM 411 OG SER A 27 -14.836 21.708 -16.821 1.00 31.51 O ATOM 0 H SER A 27 -13.423 22.049 -20.392 1.00 71.50 H new ATOM 0 HA SER A 27 -12.939 20.600 -17.852 1.00 11.12 H new ATOM 0 HB2 SER A 27 -15.188 22.255 -18.773 1.00 52.04 H new ATOM 0 HB3 SER A 27 -15.703 20.635 -18.347 1.00 52.04 H new ATOM 0 HG SER A 27 -15.699 22.063 -16.521 1.00 31.51 H new ATOM 417 N GLU A 28 -14.067 19.641 -20.770 1.00 51.23 N ATOM 418 CA GLU A 28 -14.312 18.478 -21.615 1.00 52.21 C ATOM 419 C GLU A 28 -13.009 17.749 -21.929 1.00 42.40 C ATOM 420 O GLU A 28 -13.016 16.587 -22.332 1.00 53.12 O ATOM 421 CB GLU A 28 -14.999 18.900 -22.915 1.00 52.55 C ATOM 422 CG GLU A 28 -16.482 19.190 -22.754 1.00 40.32 C ATOM 423 CD GLU A 28 -17.344 18.356 -23.682 1.00 2.02 C ATOM 424 OE1 GLU A 28 -17.039 18.310 -24.892 1.00 60.12 O ATOM 425 OE2 GLU A 28 -18.323 17.750 -23.198 1.00 65.13 O ATOM 0 H GLU A 28 -14.101 20.534 -21.261 1.00 51.23 H new ATOM 0 HA GLU A 28 -14.967 17.797 -21.071 1.00 52.21 H new ATOM 0 HB2 GLU A 28 -14.504 19.789 -23.306 1.00 52.55 H new ATOM 0 HB3 GLU A 28 -14.870 18.112 -23.657 1.00 52.55 H new ATOM 0 HG2 GLU A 28 -16.776 18.999 -21.722 1.00 40.32 H new ATOM 0 HG3 GLU A 28 -16.665 20.247 -22.947 1.00 40.32 H new ATOM 432 N GLY A 29 -11.890 18.443 -21.741 1.00 63.43 N ATOM 433 CA GLY A 29 -10.594 17.847 -22.010 1.00 31.43 C ATOM 434 C GLY A 29 -10.065 17.054 -20.831 1.00 10.12 C ATOM 435 O GLY A 29 -9.134 17.486 -20.151 1.00 42.54 O ATOM 0 H GLY A 29 -11.858 19.406 -21.408 1.00 63.43 H new ATOM 0 HA2 GLY A 29 -10.671 17.193 -22.879 1.00 31.43 H new ATOM 0 HA3 GLY A 29 -9.882 18.632 -22.265 1.00 31.43 H new ATOM 439 N ARG A 30 -10.661 15.892 -20.586 1.00 22.40 N ATOM 440 CA ARG A 30 -10.246 15.039 -19.479 1.00 23.50 C ATOM 441 C ARG A 30 -9.808 13.667 -19.984 1.00 61.12 C ATOM 442 O ARG A 30 -10.245 13.215 -21.043 1.00 3.20 O ATOM 443 CB ARG A 30 -11.387 14.883 -18.472 1.00 24.42 C ATOM 444 CG ARG A 30 -12.476 13.926 -18.928 1.00 65.43 C ATOM 445 CD ARG A 30 -13.862 14.497 -18.675 1.00 43.31 C ATOM 446 NE ARG A 30 -14.917 13.550 -19.025 1.00 22.02 N ATOM 447 CZ ARG A 30 -16.173 13.906 -19.267 1.00 53.03 C ATOM 448 NH1 ARG A 30 -16.529 15.181 -19.199 1.00 15.31 N ATOM 449 NH2 ARG A 30 -17.077 12.985 -19.580 1.00 5.54 N ATOM 0 H ARG A 30 -11.433 15.520 -21.139 1.00 22.40 H new ATOM 0 HA ARG A 30 -9.398 15.514 -18.986 1.00 23.50 H new ATOM 0 HB2 ARG A 30 -10.979 14.530 -17.525 1.00 24.42 H new ATOM 0 HB3 ARG A 30 -11.830 15.861 -18.284 1.00 24.42 H new ATOM 0 HG2 ARG A 30 -12.356 13.717 -19.991 1.00 65.43 H new ATOM 0 HG3 ARG A 30 -12.371 12.977 -18.403 1.00 65.43 H new ATOM 0 HD2 ARG A 30 -13.955 14.771 -17.624 1.00 43.31 H new ATOM 0 HD3 ARG A 30 -13.989 15.411 -19.255 1.00 43.31 H new ATOM 0 HE ARG A 30 -14.676 12.561 -19.087 1.00 22.02 H new ATOM 0 HH11 ARG A 30 -15.837 15.892 -18.960 1.00 15.31 H new ATOM 0 HH12 ARG A 30 -17.495 15.452 -19.385 1.00 15.31 H new ATOM 0 HH21 ARG A 30 -16.807 12.003 -19.635 1.00 5.54 H new ATOM 0 HH22 ARG A 30 -18.042 13.260 -19.766 1.00 5.54 H new ATOM 463 N PHE A 31 -8.942 13.009 -19.220 1.00 51.30 N ATOM 464 CA PHE A 31 -8.444 11.690 -19.591 1.00 23.14 C ATOM 465 C PHE A 31 -8.684 10.683 -18.469 1.00 44.33 C ATOM 466 O PHE A 31 -8.681 11.038 -17.291 1.00 5.20 O ATOM 467 CB PHE A 31 -6.951 11.759 -19.919 1.00 22.04 C ATOM 468 CG PHE A 31 -6.079 11.944 -18.709 1.00 73.43 C ATOM 469 CD1 PHE A 31 -6.100 13.133 -17.999 1.00 42.23 C ATOM 470 CD2 PHE A 31 -5.239 10.928 -18.283 1.00 31.41 C ATOM 471 CE1 PHE A 31 -5.299 13.306 -16.886 1.00 14.32 C ATOM 472 CE2 PHE A 31 -4.437 11.095 -17.170 1.00 62.20 C ATOM 473 CZ PHE A 31 -4.466 12.286 -16.471 1.00 70.13 C ATOM 0 H PHE A 31 -8.571 13.368 -18.340 1.00 51.30 H new ATOM 0 HA PHE A 31 -8.988 11.359 -20.475 1.00 23.14 H new ATOM 0 HB2 PHE A 31 -6.657 10.843 -20.432 1.00 22.04 H new ATOM 0 HB3 PHE A 31 -6.777 12.582 -20.612 1.00 22.04 H new ATOM 0 HD1 PHE A 31 -6.750 13.934 -18.319 1.00 42.23 H new ATOM 0 HD2 PHE A 31 -5.211 9.995 -18.827 1.00 31.41 H new ATOM 0 HE1 PHE A 31 -5.325 14.238 -16.341 1.00 14.32 H new ATOM 0 HE2 PHE A 31 -3.788 10.295 -16.847 1.00 62.20 H new ATOM 0 HZ PHE A 31 -3.839 12.419 -15.602 1.00 70.13 H new ATOM 483 N ALA A 32 -8.892 9.426 -18.846 1.00 23.23 N ATOM 484 CA ALA A 32 -9.132 8.367 -17.873 1.00 41.10 C ATOM 485 C ALA A 32 -7.928 7.437 -17.766 1.00 35.40 C ATOM 486 O ALA A 32 -7.534 6.801 -18.743 1.00 61.54 O ATOM 487 CB ALA A 32 -10.379 7.579 -18.247 1.00 42.52 C ATOM 0 H ALA A 32 -8.899 9.116 -19.818 1.00 23.23 H new ATOM 0 HA ALA A 32 -9.288 8.831 -16.899 1.00 41.10 H new ATOM 0 HB1 ALA A 32 -10.546 6.792 -17.512 1.00 42.52 H new ATOM 0 HB2 ALA A 32 -11.240 8.247 -18.265 1.00 42.52 H new ATOM 0 HB3 ALA A 32 -10.246 7.133 -19.232 1.00 42.52 H new ATOM 493 N VAL A 33 -7.348 7.362 -16.572 1.00 51.14 N ATOM 494 CA VAL A 33 -6.189 6.509 -16.338 1.00 34.13 C ATOM 495 C VAL A 33 -6.558 5.305 -15.478 1.00 13.44 C ATOM 496 O VAL A 33 -7.322 5.425 -14.520 1.00 70.31 O ATOM 497 CB VAL A 33 -5.050 7.286 -15.652 1.00 62.11 C ATOM 498 CG1 VAL A 33 -5.445 7.674 -14.235 1.00 42.15 C ATOM 499 CG2 VAL A 33 -3.770 6.464 -15.651 1.00 70.52 C ATOM 0 H VAL A 33 -7.662 7.882 -15.752 1.00 51.14 H new ATOM 0 HA VAL A 33 -5.847 6.164 -17.314 1.00 34.13 H new ATOM 0 HB VAL A 33 -4.867 8.201 -16.216 1.00 62.11 H new ATOM 0 HG11 VAL A 33 -4.628 8.222 -13.767 1.00 42.15 H new ATOM 0 HG12 VAL A 33 -6.334 8.304 -14.265 1.00 42.15 H new ATOM 0 HG13 VAL A 33 -5.657 6.774 -13.657 1.00 42.15 H new ATOM 0 HG21 VAL A 33 -2.976 7.028 -15.162 1.00 70.52 H new ATOM 0 HG22 VAL A 33 -3.937 5.531 -15.112 1.00 70.52 H new ATOM 0 HG23 VAL A 33 -3.479 6.243 -16.678 1.00 70.52 H new ATOM 509 N ALA A 34 -6.010 4.146 -15.826 1.00 30.13 N ATOM 510 CA ALA A 34 -6.279 2.920 -15.084 1.00 53.30 C ATOM 511 C ALA A 34 -5.092 2.538 -14.206 1.00 74.34 C ATOM 512 O ALA A 34 -3.975 2.368 -14.696 1.00 12.43 O ATOM 513 CB ALA A 34 -6.617 1.787 -16.042 1.00 10.33 C ATOM 0 H ALA A 34 -5.377 4.030 -16.617 1.00 30.13 H new ATOM 0 HA ALA A 34 -7.135 3.098 -14.434 1.00 53.30 H new ATOM 0 HB1 ALA A 34 -6.816 0.878 -15.475 1.00 10.33 H new ATOM 0 HB2 ALA A 34 -7.500 2.053 -16.622 1.00 10.33 H new ATOM 0 HB3 ALA A 34 -5.777 1.618 -16.716 1.00 10.33 H new ATOM 519 N TYR A 35 -5.341 2.404 -12.909 1.00 33.34 N ATOM 520 CA TYR A 35 -4.292 2.044 -11.962 1.00 41.12 C ATOM 521 C TYR A 35 -4.162 0.529 -11.843 1.00 63.31 C ATOM 522 O TYR A 35 -5.044 -0.217 -12.268 1.00 14.24 O ATOM 523 CB TYR A 35 -4.584 2.652 -10.589 1.00 73.52 C ATOM 524 CG TYR A 35 -4.303 4.135 -10.511 1.00 25.01 C ATOM 525 CD1 TYR A 35 -5.201 5.061 -11.025 1.00 55.11 C ATOM 526 CD2 TYR A 35 -3.137 4.610 -9.922 1.00 14.44 C ATOM 527 CE1 TYR A 35 -4.948 6.417 -10.956 1.00 45.24 C ATOM 528 CE2 TYR A 35 -2.876 5.965 -9.847 1.00 61.11 C ATOM 529 CZ TYR A 35 -3.784 6.864 -10.366 1.00 43.23 C ATOM 530 OH TYR A 35 -3.528 8.214 -10.295 1.00 2.44 O ATOM 0 H TYR A 35 -6.260 2.539 -12.488 1.00 33.34 H new ATOM 0 HA TYR A 35 -3.349 2.443 -12.335 1.00 41.12 H new ATOM 0 HB2 TYR A 35 -5.630 2.475 -10.338 1.00 73.52 H new ATOM 0 HB3 TYR A 35 -3.985 2.137 -9.838 1.00 73.52 H new ATOM 0 HD1 TYR A 35 -6.114 4.715 -11.487 1.00 55.11 H new ATOM 0 HD2 TYR A 35 -2.423 3.908 -9.516 1.00 14.44 H new ATOM 0 HE1 TYR A 35 -5.657 7.123 -11.362 1.00 45.24 H new ATOM 0 HE2 TYR A 35 -1.966 6.318 -9.385 1.00 61.11 H new ATOM 0 HH TYR A 35 -4.295 8.672 -9.893 1.00 2.44 H new ATOM 540 N SER A 36 -3.054 0.080 -11.261 1.00 43.55 N ATOM 541 CA SER A 36 -2.805 -1.346 -11.088 1.00 44.23 C ATOM 542 C SER A 36 -3.530 -1.878 -9.856 1.00 71.33 C ATOM 543 O SER A 36 -3.597 -3.087 -9.636 1.00 40.20 O ATOM 544 CB SER A 36 -1.303 -1.611 -10.964 1.00 70.54 C ATOM 545 OG SER A 36 -0.959 -2.867 -11.525 1.00 52.53 O ATOM 0 H SER A 36 -2.315 0.684 -10.901 1.00 43.55 H new ATOM 0 HA SER A 36 -3.188 -1.866 -11.966 1.00 44.23 H new ATOM 0 HB2 SER A 36 -0.748 -0.820 -11.468 1.00 70.54 H new ATOM 0 HB3 SER A 36 -1.011 -1.586 -9.914 1.00 70.54 H new ATOM 0 HG SER A 36 0.006 -3.012 -11.435 1.00 52.53 H new ATOM 551 N ASN A 37 -4.072 -0.966 -9.056 1.00 52.12 N ATOM 552 CA ASN A 37 -4.793 -1.342 -7.845 1.00 63.54 C ATOM 553 C ASN A 37 -6.293 -1.430 -8.110 1.00 63.51 C ATOM 554 O ASN A 37 -7.104 -1.301 -7.193 1.00 61.02 O ATOM 555 CB ASN A 37 -4.519 -0.333 -6.729 1.00 41.51 C ATOM 556 CG ASN A 37 -3.118 -0.463 -6.162 1.00 54.02 C ATOM 557 OD1 ASN A 37 -2.138 -0.512 -6.905 1.00 50.22 O ATOM 558 ND2 ASN A 37 -3.019 -0.520 -4.839 1.00 61.42 N ATOM 0 H ASN A 37 -4.026 0.039 -9.224 1.00 52.12 H new ATOM 0 HA ASN A 37 -4.439 -2.324 -7.532 1.00 63.54 H new ATOM 0 HB2 ASN A 37 -4.660 0.677 -7.114 1.00 41.51 H new ATOM 0 HB3 ASN A 37 -5.246 -0.474 -5.929 1.00 41.51 H new ATOM 0 HD21 ASN A 37 -2.103 -0.608 -4.399 1.00 61.42 H new ATOM 0 HD22 ASN A 37 -3.859 -0.476 -4.262 1.00 61.42 H new ATOM 565 N ASP A 38 -6.653 -1.652 -9.369 1.00 54.13 N ATOM 566 CA ASP A 38 -8.056 -1.759 -9.755 1.00 64.23 C ATOM 567 C ASP A 38 -8.809 -0.474 -9.427 1.00 74.21 C ATOM 568 O ASP A 38 -9.803 -0.492 -8.700 1.00 74.42 O ATOM 569 CB ASP A 38 -8.712 -2.945 -9.047 1.00 73.34 C ATOM 570 CG ASP A 38 -9.866 -3.526 -9.840 1.00 74.35 C ATOM 571 OD1 ASP A 38 -9.701 -3.737 -11.060 1.00 20.10 O ATOM 572 OD2 ASP A 38 -10.935 -3.769 -9.242 1.00 34.22 O ATOM 0 H ASP A 38 -5.994 -1.761 -10.140 1.00 54.13 H new ATOM 0 HA ASP A 38 -8.100 -1.919 -10.832 1.00 64.23 H new ATOM 0 HB2 ASP A 38 -7.965 -3.721 -8.876 1.00 73.34 H new ATOM 0 HB3 ASP A 38 -9.071 -2.627 -8.068 1.00 73.34 H new ATOM 577 N THR A 39 -8.330 0.642 -9.967 1.00 65.00 N ATOM 578 CA THR A 39 -8.956 1.936 -9.730 1.00 40.31 C ATOM 579 C THR A 39 -8.701 2.891 -10.891 1.00 11.23 C ATOM 580 O THR A 39 -7.602 2.932 -11.443 1.00 0.42 O ATOM 581 CB THR A 39 -8.442 2.580 -8.428 1.00 64.45 C ATOM 582 OG1 THR A 39 -7.014 2.490 -8.369 1.00 3.31 O ATOM 583 CG2 THR A 39 -9.049 1.898 -7.211 1.00 44.24 C ATOM 0 H THR A 39 -7.510 0.675 -10.572 1.00 65.00 H new ATOM 0 HA THR A 39 -10.027 1.756 -9.639 1.00 40.31 H new ATOM 0 HB THR A 39 -8.741 3.628 -8.424 1.00 64.45 H new ATOM 0 HG1 THR A 39 -6.694 2.903 -7.540 1.00 3.31 H new ATOM 0 HG21 THR A 39 -8.672 2.370 -6.304 1.00 44.24 H new ATOM 0 HG22 THR A 39 -10.134 1.993 -7.245 1.00 44.24 H new ATOM 0 HG23 THR A 39 -8.777 0.843 -7.212 1.00 44.24 H new ATOM 591 N MET A 40 -9.723 3.658 -11.256 1.00 34.04 N ATOM 592 CA MET A 40 -9.608 4.615 -12.350 1.00 72.53 C ATOM 593 C MET A 40 -9.846 6.038 -11.856 1.00 30.21 C ATOM 594 O MET A 40 -10.659 6.265 -10.961 1.00 55.21 O ATOM 595 CB MET A 40 -10.605 4.274 -13.460 1.00 41.41 C ATOM 596 CG MET A 40 -10.122 3.178 -14.396 1.00 2.23 C ATOM 597 SD MET A 40 -11.478 2.251 -15.138 1.00 34.32 S ATOM 598 CE MET A 40 -10.852 0.577 -15.013 1.00 53.23 C ATOM 0 H MET A 40 -10.640 3.635 -10.810 1.00 34.04 H new ATOM 0 HA MET A 40 -8.595 4.553 -12.749 1.00 72.53 H new ATOM 0 HB2 MET A 40 -11.548 3.965 -13.008 1.00 41.41 H new ATOM 0 HB3 MET A 40 -10.810 5.173 -14.042 1.00 41.41 H new ATOM 0 HG2 MET A 40 -9.515 3.621 -15.186 1.00 2.23 H new ATOM 0 HG3 MET A 40 -9.477 2.493 -13.845 1.00 2.23 H new ATOM 0 HE1 MET A 40 -11.581 -0.116 -15.432 1.00 53.23 H new ATOM 0 HE2 MET A 40 -9.916 0.497 -15.565 1.00 53.23 H new ATOM 0 HE3 MET A 40 -10.678 0.331 -13.966 1.00 53.23 H new ATOM 608 N GLU A 41 -9.131 6.991 -12.444 1.00 43.44 N ATOM 609 CA GLU A 41 -9.265 8.392 -12.062 1.00 5.05 C ATOM 610 C GLU A 41 -9.401 9.282 -13.293 1.00 44.25 C ATOM 611 O GLU A 41 -8.653 9.139 -14.260 1.00 41.22 O ATOM 612 CB GLU A 41 -8.058 8.834 -11.230 1.00 73.02 C ATOM 613 CG GLU A 41 -8.088 8.327 -9.798 1.00 44.20 C ATOM 614 CD GLU A 41 -7.171 9.114 -8.882 1.00 3.11 C ATOM 615 OE1 GLU A 41 -5.942 9.085 -9.103 1.00 52.15 O ATOM 616 OE2 GLU A 41 -7.683 9.759 -7.943 1.00 44.51 O ATOM 0 H GLU A 41 -8.453 6.819 -13.187 1.00 43.44 H new ATOM 0 HA GLU A 41 -10.169 8.493 -11.461 1.00 5.05 H new ATOM 0 HB2 GLU A 41 -7.146 8.482 -11.712 1.00 73.02 H new ATOM 0 HB3 GLU A 41 -8.013 9.923 -11.220 1.00 73.02 H new ATOM 0 HG2 GLU A 41 -9.108 8.381 -9.419 1.00 44.20 H new ATOM 0 HG3 GLU A 41 -7.797 7.277 -9.782 1.00 44.20 H new ATOM 623 N GLU A 42 -10.361 10.200 -13.250 1.00 10.32 N ATOM 624 CA GLU A 42 -10.596 11.113 -14.363 1.00 30.51 C ATOM 625 C GLU A 42 -10.387 12.562 -13.932 1.00 73.52 C ATOM 626 O GLU A 42 -10.772 12.955 -12.831 1.00 2.15 O ATOM 627 CB GLU A 42 -12.013 10.931 -14.910 1.00 35.32 C ATOM 628 CG GLU A 42 -13.096 11.461 -13.984 1.00 64.13 C ATOM 629 CD GLU A 42 -13.626 12.813 -14.421 1.00 61.20 C ATOM 630 OE1 GLU A 42 -14.282 12.877 -15.482 1.00 14.34 O ATOM 631 OE2 GLU A 42 -13.385 13.806 -13.703 1.00 65.52 O ATOM 0 H GLU A 42 -10.989 10.332 -12.457 1.00 10.32 H new ATOM 0 HA GLU A 42 -9.878 10.879 -15.149 1.00 30.51 H new ATOM 0 HB2 GLU A 42 -12.090 11.437 -15.872 1.00 35.32 H new ATOM 0 HB3 GLU A 42 -12.190 9.871 -15.093 1.00 35.32 H new ATOM 0 HG2 GLU A 42 -13.919 10.747 -13.947 1.00 64.13 H new ATOM 0 HG3 GLU A 42 -12.697 11.541 -12.973 1.00 64.13 H new ATOM 638 N HIS A 43 -9.775 13.351 -14.809 1.00 22.00 N ATOM 639 CA HIS A 43 -9.514 14.757 -14.520 1.00 73.23 C ATOM 640 C HIS A 43 -9.432 15.570 -15.809 1.00 34.13 C ATOM 641 O HIS A 43 -8.886 15.109 -16.811 1.00 2.50 O ATOM 642 CB HIS A 43 -8.215 14.904 -13.727 1.00 55.21 C ATOM 643 CG HIS A 43 -8.419 15.415 -12.334 1.00 12.10 C ATOM 644 ND1 HIS A 43 -9.356 16.375 -12.014 1.00 31.22 N ATOM 645 CD2 HIS A 43 -7.801 15.093 -11.174 1.00 33.24 C ATOM 646 CE1 HIS A 43 -9.304 16.622 -10.717 1.00 54.11 C ATOM 647 NE2 HIS A 43 -8.369 15.857 -10.184 1.00 33.31 N ATOM 0 H HIS A 43 -9.451 13.041 -15.725 1.00 22.00 H new ATOM 0 HA HIS A 43 -10.341 15.139 -13.922 1.00 73.23 H new ATOM 0 HB2 HIS A 43 -7.716 13.936 -13.681 1.00 55.21 H new ATOM 0 HB3 HIS A 43 -7.548 15.582 -14.260 1.00 55.21 H new ATOM 0 HD1 HIS A 43 -9.990 16.824 -12.675 1.00 31.22 H new ATOM 0 HD2 HIS A 43 -7.009 14.370 -11.050 1.00 33.24 H new ATOM 0 HE1 HIS A 43 -9.921 17.329 -10.183 1.00 54.11 H new ATOM 655 N SER A 44 -9.980 16.781 -15.775 1.00 21.54 N ATOM 656 CA SER A 44 -9.973 17.656 -16.941 1.00 22.21 C ATOM 657 C SER A 44 -9.033 18.839 -16.727 1.00 35.24 C ATOM 658 O SER A 44 -9.154 19.573 -15.745 1.00 74.54 O ATOM 659 CB SER A 44 -11.387 18.160 -17.235 1.00 70.23 C ATOM 660 OG SER A 44 -12.349 17.457 -16.467 1.00 41.45 O ATOM 0 H SER A 44 -10.434 17.178 -14.953 1.00 21.54 H new ATOM 0 HA SER A 44 -9.615 17.080 -17.795 1.00 22.21 H new ATOM 0 HB2 SER A 44 -11.450 19.226 -17.015 1.00 70.23 H new ATOM 0 HB3 SER A 44 -11.606 18.040 -18.296 1.00 70.23 H new ATOM 0 HG SER A 44 -13.210 17.464 -16.935 1.00 41.45 H new ATOM 666 N PHE A 45 -8.097 19.018 -17.652 1.00 62.42 N ATOM 667 CA PHE A 45 -7.135 20.110 -17.565 1.00 51.45 C ATOM 668 C PHE A 45 -6.489 20.158 -16.184 1.00 21.20 C ATOM 669 O PHE A 45 -6.220 21.233 -15.648 1.00 4.23 O ATOM 670 CB PHE A 45 -7.819 21.445 -17.867 1.00 14.31 C ATOM 671 CG PHE A 45 -6.859 22.546 -18.216 1.00 61.25 C ATOM 672 CD1 PHE A 45 -5.989 22.410 -19.286 1.00 41.14 C ATOM 673 CD2 PHE A 45 -6.826 23.716 -17.476 1.00 13.24 C ATOM 674 CE1 PHE A 45 -5.104 23.421 -19.610 1.00 24.15 C ATOM 675 CE2 PHE A 45 -5.943 24.731 -17.794 1.00 73.24 C ATOM 676 CZ PHE A 45 -5.082 24.583 -18.863 1.00 44.25 C ATOM 0 H PHE A 45 -7.984 18.421 -18.471 1.00 62.42 H new ATOM 0 HA PHE A 45 -6.355 19.933 -18.305 1.00 51.45 H new ATOM 0 HB2 PHE A 45 -8.517 21.308 -18.693 1.00 14.31 H new ATOM 0 HB3 PHE A 45 -8.406 21.747 -17.000 1.00 14.31 H new ATOM 0 HD1 PHE A 45 -6.003 21.504 -19.873 1.00 41.14 H new ATOM 0 HD2 PHE A 45 -7.499 23.837 -16.640 1.00 13.24 H new ATOM 0 HE1 PHE A 45 -4.431 23.303 -20.446 1.00 24.15 H new ATOM 0 HE2 PHE A 45 -5.927 25.638 -17.207 1.00 73.24 H new ATOM 0 HZ PHE A 45 -4.392 25.375 -19.115 1.00 44.25 H new ATOM 686 N THR A 46 -6.243 18.983 -15.612 1.00 4.33 N ATOM 687 CA THR A 46 -5.630 18.889 -14.293 1.00 11.34 C ATOM 688 C THR A 46 -4.216 18.327 -14.382 1.00 2.51 C ATOM 689 O THR A 46 -3.246 19.005 -14.042 1.00 42.21 O ATOM 690 CB THR A 46 -6.464 18.003 -13.348 1.00 3.00 C ATOM 691 OG1 THR A 46 -7.789 17.846 -13.866 1.00 54.21 O ATOM 692 CG2 THR A 46 -6.527 18.608 -11.954 1.00 1.13 C ATOM 0 H THR A 46 -6.459 18.084 -16.042 1.00 4.33 H new ATOM 0 HA THR A 46 -5.591 19.901 -13.890 1.00 11.34 H new ATOM 0 HB THR A 46 -5.983 17.027 -13.282 1.00 3.00 H new ATOM 0 HG1 THR A 46 -8.414 17.698 -13.126 1.00 54.21 H new ATOM 0 HG21 THR A 46 -7.121 17.965 -11.305 1.00 1.13 H new ATOM 0 HG22 THR A 46 -5.518 18.699 -11.551 1.00 1.13 H new ATOM 0 HG23 THR A 46 -6.987 19.595 -12.006 1.00 1.13 H new ATOM 700 N ASP A 47 -4.106 17.086 -14.842 1.00 25.05 N ATOM 701 CA ASP A 47 -2.808 16.433 -14.977 1.00 55.43 C ATOM 702 C ASP A 47 -1.907 17.209 -15.933 1.00 12.23 C ATOM 703 O ASP A 47 -2.375 17.774 -16.920 1.00 51.54 O ATOM 704 CB ASP A 47 -2.985 14.998 -15.476 1.00 14.24 C ATOM 705 CG ASP A 47 -1.683 14.223 -15.482 1.00 64.05 C ATOM 706 OD1 ASP A 47 -1.081 14.065 -14.400 1.00 32.32 O ATOM 707 OD2 ASP A 47 -1.264 13.775 -16.571 1.00 1.22 O ATOM 0 H ASP A 47 -4.899 16.512 -15.128 1.00 25.05 H new ATOM 0 HA ASP A 47 -2.335 16.413 -13.995 1.00 55.43 H new ATOM 0 HB2 ASP A 47 -3.708 14.483 -14.844 1.00 14.24 H new ATOM 0 HB3 ASP A 47 -3.399 15.015 -16.484 1.00 14.24 H new ATOM 712 N GLU A 48 -0.613 17.232 -15.630 1.00 41.11 N ATOM 713 CA GLU A 48 0.353 17.941 -16.462 1.00 31.34 C ATOM 714 C GLU A 48 1.016 16.991 -17.455 1.00 21.22 C ATOM 715 O GLU A 48 2.114 17.254 -17.944 1.00 72.01 O ATOM 716 CB GLU A 48 1.418 18.609 -15.589 1.00 33.50 C ATOM 717 CG GLU A 48 1.019 19.988 -15.091 1.00 63.31 C ATOM 718 CD GLU A 48 1.840 21.095 -15.723 1.00 0.44 C ATOM 719 OE1 GLU A 48 3.000 21.287 -15.302 1.00 2.03 O ATOM 720 OE2 GLU A 48 1.323 21.771 -16.637 1.00 32.52 O ATOM 0 H GLU A 48 -0.209 16.769 -14.816 1.00 41.11 H new ATOM 0 HA GLU A 48 -0.182 18.709 -17.021 1.00 31.34 H new ATOM 0 HB2 GLU A 48 1.627 17.969 -14.732 1.00 33.50 H new ATOM 0 HB3 GLU A 48 2.344 18.691 -16.159 1.00 33.50 H new ATOM 0 HG2 GLU A 48 -0.037 20.156 -15.304 1.00 63.31 H new ATOM 0 HG3 GLU A 48 1.135 20.027 -14.008 1.00 63.31 H new ATOM 727 N GLY A 49 0.341 15.884 -17.748 1.00 35.55 N ATOM 728 CA GLY A 49 0.879 14.910 -18.680 1.00 1.52 C ATOM 729 C GLY A 49 0.627 15.291 -20.125 1.00 42.22 C ATOM 730 O GLY A 49 1.361 14.874 -21.022 1.00 14.13 O ATOM 0 H GLY A 49 -0.570 15.644 -17.356 1.00 35.55 H new ATOM 0 HA2 GLY A 49 1.952 14.808 -18.516 1.00 1.52 H new ATOM 0 HA3 GLY A 49 0.432 13.936 -18.481 1.00 1.52 H new ATOM 734 N VAL A 50 -0.414 16.085 -20.354 1.00 35.23 N ATOM 735 CA VAL A 50 -0.762 16.521 -21.701 1.00 10.54 C ATOM 736 C VAL A 50 -0.371 17.978 -21.924 1.00 61.13 C ATOM 737 O VAL A 50 -0.786 18.863 -21.178 1.00 1.44 O ATOM 738 CB VAL A 50 -2.269 16.359 -21.972 1.00 34.30 C ATOM 739 CG1 VAL A 50 -2.652 14.887 -21.995 1.00 32.34 C ATOM 740 CG2 VAL A 50 -3.082 17.113 -20.931 1.00 13.50 C ATOM 0 H VAL A 50 -1.031 16.440 -19.624 1.00 35.23 H new ATOM 0 HA VAL A 50 -0.206 15.888 -22.392 1.00 10.54 H new ATOM 0 HB VAL A 50 -2.492 16.784 -22.951 1.00 34.30 H new ATOM 0 HG11 VAL A 50 -3.721 14.792 -22.188 1.00 32.34 H new ATOM 0 HG12 VAL A 50 -2.095 14.378 -22.782 1.00 32.34 H new ATOM 0 HG13 VAL A 50 -2.415 14.434 -21.032 1.00 32.34 H new ATOM 0 HG21 VAL A 50 -4.145 16.987 -21.138 1.00 13.50 H new ATOM 0 HG22 VAL A 50 -2.857 16.721 -19.939 1.00 13.50 H new ATOM 0 HG23 VAL A 50 -2.828 18.172 -20.968 1.00 13.50 H new ATOM 750 N GLU A 51 0.430 18.218 -22.958 1.00 20.11 N ATOM 751 CA GLU A 51 0.877 19.568 -23.279 1.00 43.04 C ATOM 752 C GLU A 51 0.149 20.104 -24.509 1.00 1.25 C ATOM 753 O GLU A 51 0.061 19.429 -25.534 1.00 62.14 O ATOM 754 CB GLU A 51 2.388 19.585 -23.521 1.00 22.35 C ATOM 755 CG GLU A 51 3.209 19.419 -22.253 1.00 31.34 C ATOM 756 CD GLU A 51 4.264 20.496 -22.095 1.00 50.32 C ATOM 757 OE1 GLU A 51 5.034 20.716 -23.054 1.00 1.14 O ATOM 758 OE2 GLU A 51 4.320 21.119 -21.015 1.00 11.44 O ATOM 0 H GLU A 51 0.782 17.496 -23.587 1.00 20.11 H new ATOM 0 HA GLU A 51 0.644 20.211 -22.430 1.00 43.04 H new ATOM 0 HB2 GLU A 51 2.645 18.787 -24.217 1.00 22.35 H new ATOM 0 HB3 GLU A 51 2.660 20.526 -24.000 1.00 22.35 H new ATOM 0 HG2 GLU A 51 2.544 19.438 -21.389 1.00 31.34 H new ATOM 0 HG3 GLU A 51 3.692 18.442 -22.263 1.00 31.34 H new ATOM 765 N ILE A 52 -0.371 21.322 -24.396 1.00 74.52 N ATOM 766 CA ILE A 52 -1.091 21.949 -25.498 1.00 33.44 C ATOM 767 C ILE A 52 -0.214 22.966 -26.219 1.00 13.41 C ATOM 768 O ILE A 52 0.460 23.779 -25.586 1.00 54.43 O ATOM 769 CB ILE A 52 -2.373 22.648 -25.007 1.00 3.01 C ATOM 770 CG1 ILE A 52 -3.129 21.747 -24.029 1.00 73.31 C ATOM 771 CG2 ILE A 52 -3.258 23.020 -26.187 1.00 32.31 C ATOM 772 CD1 ILE A 52 -3.577 20.436 -24.638 1.00 53.50 C ATOM 0 H ILE A 52 -0.307 21.894 -23.554 1.00 74.52 H new ATOM 0 HA ILE A 52 -1.364 21.153 -26.191 1.00 33.44 H new ATOM 0 HB ILE A 52 -2.093 23.563 -24.485 1.00 3.01 H new ATOM 0 HG12 ILE A 52 -2.490 21.540 -23.170 1.00 73.31 H new ATOM 0 HG13 ILE A 52 -4.002 22.282 -23.655 1.00 73.31 H new ATOM 0 HG21 ILE A 52 -4.160 23.513 -25.824 1.00 32.31 H new ATOM 0 HG22 ILE A 52 -2.717 23.696 -26.849 1.00 32.31 H new ATOM 0 HG23 ILE A 52 -3.533 22.118 -26.734 1.00 32.31 H new ATOM 0 HD11 ILE A 52 -4.106 19.848 -23.888 1.00 53.50 H new ATOM 0 HD12 ILE A 52 -4.242 20.634 -25.479 1.00 53.50 H new ATOM 0 HD13 ILE A 52 -2.706 19.880 -24.986 1.00 53.50 H new ATOM 784 N SER A 53 -0.229 22.917 -27.547 1.00 75.31 N ATOM 785 CA SER A 53 0.566 23.833 -28.355 1.00 40.24 C ATOM 786 C SER A 53 -0.288 24.482 -29.440 1.00 51.04 C ATOM 787 O SER A 53 -1.089 23.817 -30.096 1.00 13.21 O ATOM 788 CB SER A 53 1.744 23.094 -28.992 1.00 64.22 C ATOM 789 OG SER A 53 2.977 23.544 -28.458 1.00 45.04 O ATOM 0 H SER A 53 -0.784 22.252 -28.086 1.00 75.31 H new ATOM 0 HA SER A 53 0.949 24.616 -27.701 1.00 40.24 H new ATOM 0 HB2 SER A 53 1.640 22.022 -28.822 1.00 64.22 H new ATOM 0 HB3 SER A 53 1.733 23.248 -30.071 1.00 64.22 H new ATOM 0 HG SER A 53 3.714 23.055 -28.880 1.00 45.04 H new ATOM 795 N GLY A 54 -0.110 25.787 -29.624 1.00 31.11 N ATOM 796 CA GLY A 54 -0.871 26.505 -30.630 1.00 2.13 C ATOM 797 C GLY A 54 -1.882 27.457 -30.022 1.00 32.41 C ATOM 798 O GLY A 54 -2.306 28.417 -30.665 1.00 40.11 O ATOM 0 H GLY A 54 0.547 26.359 -29.094 1.00 31.11 H new ATOM 0 HA2 GLY A 54 -0.187 27.065 -31.268 1.00 2.13 H new ATOM 0 HA3 GLY A 54 -1.389 25.790 -31.269 1.00 2.13 H new ATOM 802 N TYR A 55 -2.272 27.189 -28.780 1.00 44.33 N ATOM 803 CA TYR A 55 -3.243 28.027 -28.087 1.00 31.20 C ATOM 804 C TYR A 55 -2.570 29.256 -27.483 1.00 73.31 C ATOM 805 O TYR A 55 -1.606 29.141 -26.726 1.00 73.41 O ATOM 806 CB TYR A 55 -3.947 27.226 -26.990 1.00 51.31 C ATOM 807 CG TYR A 55 -4.366 28.064 -25.803 1.00 24.00 C ATOM 808 CD1 TYR A 55 -5.526 28.827 -25.841 1.00 2.44 C ATOM 809 CD2 TYR A 55 -3.601 28.091 -24.643 1.00 40.10 C ATOM 810 CE1 TYR A 55 -5.911 29.595 -24.759 1.00 34.34 C ATOM 811 CE2 TYR A 55 -3.980 28.854 -23.556 1.00 4.44 C ATOM 812 CZ TYR A 55 -5.135 29.605 -23.618 1.00 72.24 C ATOM 813 OH TYR A 55 -5.517 30.367 -22.538 1.00 23.21 O ATOM 0 H TYR A 55 -1.931 26.398 -28.233 1.00 44.33 H new ATOM 0 HA TYR A 55 -3.982 28.362 -28.815 1.00 31.20 H new ATOM 0 HB2 TYR A 55 -4.828 26.743 -27.413 1.00 51.31 H new ATOM 0 HB3 TYR A 55 -3.283 26.433 -26.648 1.00 51.31 H new ATOM 0 HD1 TYR A 55 -6.137 28.820 -26.731 1.00 2.44 H new ATOM 0 HD2 TYR A 55 -2.695 27.506 -24.591 1.00 40.10 H new ATOM 0 HE1 TYR A 55 -6.815 30.185 -24.806 1.00 34.34 H new ATOM 0 HE2 TYR A 55 -3.375 28.862 -22.662 1.00 4.44 H new ATOM 0 HH TYR A 55 -6.452 30.640 -22.645 1.00 23.21 H new ATOM 823 N ASP A 56 -3.087 30.432 -27.823 1.00 65.52 N ATOM 824 CA ASP A 56 -2.538 31.683 -27.314 1.00 52.32 C ATOM 825 C ASP A 56 -3.417 32.249 -26.203 1.00 4.13 C ATOM 826 O ASP A 56 -4.453 32.858 -26.466 1.00 60.04 O ATOM 827 CB ASP A 56 -2.405 32.704 -28.446 1.00 32.05 C ATOM 828 CG ASP A 56 -1.034 32.676 -29.092 1.00 11.41 C ATOM 829 OD1 ASP A 56 -0.032 32.846 -28.366 1.00 21.42 O ATOM 830 OD2 ASP A 56 -0.963 32.485 -30.324 1.00 31.34 O ATOM 0 H ASP A 56 -3.885 30.545 -28.448 1.00 65.52 H new ATOM 0 HA ASP A 56 -1.550 31.477 -26.902 1.00 52.32 H new ATOM 0 HB2 ASP A 56 -3.164 32.505 -29.202 1.00 32.05 H new ATOM 0 HB3 ASP A 56 -2.599 33.703 -28.055 1.00 32.05 H new ATOM 835 N ALA A 57 -2.995 32.043 -24.959 1.00 71.53 N ATOM 836 CA ALA A 57 -3.743 32.533 -23.808 1.00 24.30 C ATOM 837 C ALA A 57 -3.794 34.057 -23.795 1.00 23.31 C ATOM 838 O ALA A 57 -4.675 34.651 -23.175 1.00 50.21 O ATOM 839 CB ALA A 57 -3.126 32.012 -22.518 1.00 51.20 C ATOM 0 H ALA A 57 -2.139 31.540 -24.723 1.00 71.53 H new ATOM 0 HA ALA A 57 -4.765 32.162 -23.885 1.00 24.30 H new ATOM 0 HB1 ALA A 57 -3.694 32.385 -21.666 1.00 51.20 H new ATOM 0 HB2 ALA A 57 -3.147 30.922 -22.519 1.00 51.20 H new ATOM 0 HB3 ALA A 57 -2.094 32.355 -22.444 1.00 51.20 H new ATOM 845 N GLN A 58 -2.843 34.682 -24.482 1.00 31.11 N ATOM 846 CA GLN A 58 -2.780 36.137 -24.547 1.00 51.21 C ATOM 847 C GLN A 58 -3.627 36.668 -25.699 1.00 62.44 C ATOM 848 O GLN A 58 -3.598 37.859 -26.008 1.00 14.20 O ATOM 849 CB GLN A 58 -1.331 36.599 -24.709 1.00 1.33 C ATOM 850 CG GLN A 58 -0.603 36.791 -23.388 1.00 64.21 C ATOM 851 CD GLN A 58 0.779 37.388 -23.565 1.00 44.21 C ATOM 852 OE1 GLN A 58 1.427 37.189 -24.593 1.00 44.00 O ATOM 853 NE2 GLN A 58 1.239 38.126 -22.561 1.00 53.02 N ATOM 0 H GLN A 58 -2.106 34.204 -25.001 1.00 31.11 H new ATOM 0 HA GLN A 58 -3.179 36.535 -23.614 1.00 51.21 H new ATOM 0 HB2 GLN A 58 -0.790 35.868 -25.310 1.00 1.33 H new ATOM 0 HB3 GLN A 58 -1.317 37.538 -25.262 1.00 1.33 H new ATOM 0 HG2 GLN A 58 -1.195 37.440 -22.742 1.00 64.21 H new ATOM 0 HG3 GLN A 58 -0.517 35.830 -22.882 1.00 64.21 H new ATOM 0 HE21 GLN A 58 0.668 38.265 -21.727 1.00 53.02 H new ATOM 0 HE22 GLN A 58 2.163 38.554 -22.624 1.00 53.02 H new ATOM 862 N LYS A 59 -4.380 35.775 -26.333 1.00 41.13 N ATOM 863 CA LYS A 59 -5.236 36.152 -27.452 1.00 12.24 C ATOM 864 C LYS A 59 -6.003 34.944 -27.981 1.00 44.43 C ATOM 865 O LYS A 59 -5.479 34.163 -28.776 1.00 21.20 O ATOM 866 CB LYS A 59 -4.401 36.772 -28.574 1.00 62.21 C ATOM 867 CG LYS A 59 -4.768 38.214 -28.881 1.00 23.54 C ATOM 868 CD LYS A 59 -3.623 38.948 -29.559 1.00 15.12 C ATOM 869 CE LYS A 59 -4.094 40.248 -30.193 1.00 3.34 C ATOM 870 NZ LYS A 59 -3.721 40.330 -31.632 1.00 4.51 N ATOM 0 H LYS A 59 -4.415 34.785 -26.091 1.00 41.13 H new ATOM 0 HA LYS A 59 -5.955 36.889 -27.095 1.00 12.24 H new ATOM 0 HB2 LYS A 59 -3.347 36.725 -28.300 1.00 62.21 H new ATOM 0 HB3 LYS A 59 -4.522 36.175 -29.478 1.00 62.21 H new ATOM 0 HG2 LYS A 59 -5.648 38.238 -29.524 1.00 23.54 H new ATOM 0 HG3 LYS A 59 -5.034 38.727 -27.957 1.00 23.54 H new ATOM 0 HD2 LYS A 59 -2.842 39.160 -28.829 1.00 15.12 H new ATOM 0 HD3 LYS A 59 -3.181 38.308 -30.323 1.00 15.12 H new ATOM 0 HE2 LYS A 59 -5.176 40.329 -30.093 1.00 3.34 H new ATOM 0 HE3 LYS A 59 -3.660 41.092 -29.657 1.00 3.34 H new ATOM 0 HZ1 LYS A 59 -4.060 41.230 -32.028 1.00 4.51 H new ATOM 0 HZ2 LYS A 59 -2.687 40.278 -31.726 1.00 4.51 H new ATOM 0 HZ3 LYS A 59 -4.156 39.539 -32.149 1.00 4.51 H new ATOM 884 N THR A 60 -7.247 34.798 -27.537 1.00 72.45 N ATOM 885 CA THR A 60 -8.086 33.686 -27.967 1.00 63.40 C ATOM 886 C THR A 60 -9.061 34.121 -29.054 1.00 73.25 C ATOM 887 O THR A 60 -9.214 35.311 -29.325 1.00 44.13 O ATOM 888 CB THR A 60 -8.880 33.093 -26.788 1.00 21.31 C ATOM 889 OG1 THR A 60 -9.421 34.146 -25.983 1.00 1.03 O ATOM 890 CG2 THR A 60 -7.994 32.198 -25.934 1.00 1.52 C ATOM 0 H THR A 60 -7.696 35.436 -26.880 1.00 72.45 H new ATOM 0 HA THR A 60 -7.418 32.923 -28.366 1.00 63.40 H new ATOM 0 HB THR A 60 -9.694 32.491 -27.193 1.00 21.31 H new ATOM 0 HG1 THR A 60 -9.787 33.770 -25.155 1.00 1.03 H new ATOM 0 HG21 THR A 60 -8.577 31.791 -25.108 1.00 1.52 H new ATOM 0 HG22 THR A 60 -7.608 31.381 -26.543 1.00 1.52 H new ATOM 0 HG23 THR A 60 -7.162 32.780 -25.539 1.00 1.52 H new ATOM 898 N GLY A 61 -9.721 33.148 -29.675 1.00 74.51 N ATOM 899 CA GLY A 61 -10.675 33.451 -30.726 1.00 51.01 C ATOM 900 C GLY A 61 -10.454 32.613 -31.969 1.00 62.25 C ATOM 901 O GLY A 61 -9.788 33.048 -32.909 1.00 53.23 O ATOM 0 H GLY A 61 -9.612 32.155 -29.469 1.00 74.51 H new ATOM 0 HA2 GLY A 61 -11.686 33.284 -30.354 1.00 51.01 H new ATOM 0 HA3 GLY A 61 -10.601 34.507 -30.986 1.00 51.01 H new ATOM 905 N ARG A 62 -11.011 31.406 -31.975 1.00 13.50 N ATOM 906 CA ARG A 62 -10.869 30.504 -33.111 1.00 41.12 C ATOM 907 C ARG A 62 -9.410 30.103 -33.307 1.00 42.03 C ATOM 908 O ARG A 62 -8.870 30.210 -34.408 1.00 1.30 O ATOM 909 CB ARG A 62 -11.403 31.164 -34.384 1.00 30.12 C ATOM 910 CG ARG A 62 -11.826 30.170 -35.454 1.00 2.44 C ATOM 911 CD ARG A 62 -10.861 30.173 -36.629 1.00 50.30 C ATOM 912 NE ARG A 62 -11.451 30.779 -37.820 1.00 2.22 N ATOM 913 CZ ARG A 62 -10.895 30.722 -39.025 1.00 54.31 C ATOM 914 NH1 ARG A 62 -9.743 30.090 -39.199 1.00 32.24 N ATOM 915 NH2 ARG A 62 -11.493 31.298 -40.060 1.00 52.42 N ATOM 0 H ARG A 62 -11.565 31.030 -31.205 1.00 13.50 H new ATOM 0 HA ARG A 62 -11.451 29.606 -32.904 1.00 41.12 H new ATOM 0 HB2 ARG A 62 -12.255 31.793 -34.127 1.00 30.12 H new ATOM 0 HB3 ARG A 62 -10.635 31.820 -34.793 1.00 30.12 H new ATOM 0 HG2 ARG A 62 -11.875 29.170 -35.024 1.00 2.44 H new ATOM 0 HG3 ARG A 62 -12.829 30.415 -35.804 1.00 2.44 H new ATOM 0 HD2 ARG A 62 -9.958 30.718 -36.355 1.00 50.30 H new ATOM 0 HD3 ARG A 62 -10.560 29.150 -36.854 1.00 50.30 H new ATOM 0 HE ARG A 62 -12.338 31.273 -37.721 1.00 2.22 H new ATOM 0 HH11 ARG A 62 -9.280 29.645 -38.406 1.00 32.24 H new ATOM 0 HH12 ARG A 62 -9.319 30.048 -40.126 1.00 32.24 H new ATOM 0 HH21 ARG A 62 -12.380 31.785 -39.930 1.00 52.42 H new ATOM 0 HH22 ARG A 62 -11.066 31.254 -40.985 1.00 52.42 H new ATOM 929 N GLN A 63 -8.779 29.642 -32.232 1.00 64.24 N ATOM 930 CA GLN A 63 -7.382 29.226 -32.287 1.00 10.22 C ATOM 931 C GLN A 63 -7.265 27.706 -32.253 1.00 63.03 C ATOM 932 O GLN A 63 -8.042 27.027 -31.581 1.00 62.23 O ATOM 933 CB GLN A 63 -6.601 29.836 -31.121 1.00 62.35 C ATOM 934 CG GLN A 63 -7.010 31.263 -30.795 1.00 44.14 C ATOM 935 CD GLN A 63 -6.768 32.217 -31.949 1.00 0.25 C ATOM 936 OE1 GLN A 63 -6.295 31.816 -33.013 1.00 13.35 O ATOM 937 NE2 GLN A 63 -7.092 33.488 -31.743 1.00 51.52 N ATOM 0 H GLN A 63 -9.212 29.547 -31.313 1.00 64.24 H new ATOM 0 HA GLN A 63 -6.959 29.583 -33.226 1.00 10.22 H new ATOM 0 HB2 GLN A 63 -6.742 29.215 -30.236 1.00 62.35 H new ATOM 0 HB3 GLN A 63 -5.537 29.817 -31.358 1.00 62.35 H new ATOM 0 HG2 GLN A 63 -8.067 31.282 -30.528 1.00 44.14 H new ATOM 0 HG3 GLN A 63 -6.454 31.606 -29.922 1.00 44.14 H new ATOM 0 HE21 GLN A 63 -7.481 33.776 -30.845 1.00 51.52 H new ATOM 0 HE22 GLN A 63 -6.952 34.176 -32.482 1.00 51.52 H new ATOM 946 N THR A 64 -6.288 27.176 -32.983 1.00 50.34 N ATOM 947 CA THR A 64 -6.070 25.736 -33.039 1.00 2.44 C ATOM 948 C THR A 64 -5.320 25.246 -31.805 1.00 44.44 C ATOM 949 O THR A 64 -4.575 26.001 -31.178 1.00 41.04 O ATOM 950 CB THR A 64 -5.280 25.336 -34.299 1.00 22.12 C ATOM 951 OG1 THR A 64 -5.842 25.972 -35.452 1.00 43.20 O ATOM 952 CG2 THR A 64 -5.293 23.827 -34.489 1.00 74.40 C ATOM 0 H THR A 64 -5.635 27.723 -33.544 1.00 50.34 H new ATOM 0 HA THR A 64 -7.054 25.268 -33.073 1.00 2.44 H new ATOM 0 HB THR A 64 -4.247 25.662 -34.172 1.00 22.12 H new ATOM 0 HG1 THR A 64 -5.333 25.714 -36.249 1.00 43.20 H new ATOM 0 HG21 THR A 64 -4.729 23.568 -35.385 1.00 74.40 H new ATOM 0 HG22 THR A 64 -4.838 23.347 -33.623 1.00 74.40 H new ATOM 0 HG23 THR A 64 -6.322 23.483 -34.596 1.00 74.40 H new ATOM 960 N LEU A 65 -5.519 23.979 -31.462 1.00 75.32 N ATOM 961 CA LEU A 65 -4.861 23.387 -30.303 1.00 25.11 C ATOM 962 C LEU A 65 -4.432 21.952 -30.594 1.00 14.15 C ATOM 963 O LEU A 65 -5.170 21.186 -31.215 1.00 24.22 O ATOM 964 CB LEU A 65 -5.793 23.417 -29.091 1.00 11.42 C ATOM 965 CG LEU A 65 -6.215 24.804 -28.603 1.00 23.10 C ATOM 966 CD1 LEU A 65 -7.456 25.276 -29.345 1.00 4.24 C ATOM 967 CD2 LEU A 65 -6.462 24.789 -27.102 1.00 30.45 C ATOM 0 H LEU A 65 -6.131 23.341 -31.970 1.00 75.32 H new ATOM 0 HA LEU A 65 -3.970 23.975 -30.083 1.00 25.11 H new ATOM 0 HB2 LEU A 65 -6.692 22.851 -29.335 1.00 11.42 H new ATOM 0 HB3 LEU A 65 -5.303 22.898 -28.268 1.00 11.42 H new ATOM 0 HG LEU A 65 -5.405 25.503 -28.810 1.00 23.10 H new ATOM 0 HD11 LEU A 65 -7.741 26.264 -28.985 1.00 4.24 H new ATOM 0 HD12 LEU A 65 -7.244 25.326 -30.413 1.00 4.24 H new ATOM 0 HD13 LEU A 65 -8.273 24.576 -29.170 1.00 4.24 H new ATOM 0 HD21 LEU A 65 -6.761 25.784 -26.773 1.00 30.45 H new ATOM 0 HD22 LEU A 65 -7.254 24.077 -26.871 1.00 30.45 H new ATOM 0 HD23 LEU A 65 -5.548 24.496 -26.586 1.00 30.45 H new ATOM 979 N THR A 66 -3.236 21.593 -30.138 1.00 40.12 N ATOM 980 CA THR A 66 -2.710 20.250 -30.348 1.00 43.30 C ATOM 981 C THR A 66 -2.140 19.675 -29.056 1.00 75.23 C ATOM 982 O THR A 66 -1.075 20.089 -28.597 1.00 33.35 O ATOM 983 CB THR A 66 -1.612 20.240 -31.429 1.00 33.51 C ATOM 984 OG1 THR A 66 -1.271 21.581 -31.794 1.00 3.55 O ATOM 985 CG2 THR A 66 -2.074 19.476 -32.661 1.00 23.31 C ATOM 0 H THR A 66 -2.613 22.214 -29.621 1.00 40.12 H new ATOM 0 HA THR A 66 -3.544 19.632 -30.681 1.00 43.30 H new ATOM 0 HB THR A 66 -0.734 19.742 -31.019 1.00 33.51 H new ATOM 0 HG1 THR A 66 -1.131 22.115 -30.984 1.00 3.55 H new ATOM 0 HG21 THR A 66 -1.283 19.482 -33.411 1.00 23.31 H new ATOM 0 HG22 THR A 66 -2.305 18.447 -32.386 1.00 23.31 H new ATOM 0 HG23 THR A 66 -2.966 19.951 -33.070 1.00 23.31 H new ATOM 993 N LEU A 67 -2.856 18.718 -28.475 1.00 5.01 N ATOM 994 CA LEU A 67 -2.421 18.084 -27.235 1.00 43.20 C ATOM 995 C LEU A 67 -1.621 16.817 -27.522 1.00 54.33 C ATOM 996 O LEU A 67 -2.046 15.967 -28.306 1.00 45.30 O ATOM 997 CB LEU A 67 -3.629 17.751 -26.359 1.00 32.34 C ATOM 998 CG LEU A 67 -4.358 16.448 -26.688 1.00 75.24 C ATOM 999 CD1 LEU A 67 -3.758 15.288 -25.909 1.00 61.04 C ATOM 1000 CD2 LEU A 67 -5.845 16.579 -26.392 1.00 32.13 C ATOM 0 H LEU A 67 -3.739 18.364 -28.842 1.00 5.01 H new ATOM 0 HA LEU A 67 -1.777 18.785 -26.704 1.00 43.20 H new ATOM 0 HB2 LEU A 67 -3.299 17.707 -25.321 1.00 32.34 H new ATOM 0 HB3 LEU A 67 -4.343 18.572 -26.432 1.00 32.34 H new ATOM 0 HG LEU A 67 -4.236 16.245 -27.752 1.00 75.24 H new ATOM 0 HD11 LEU A 67 -4.290 14.370 -26.157 1.00 61.04 H new ATOM 0 HD12 LEU A 67 -2.706 15.179 -26.171 1.00 61.04 H new ATOM 0 HD13 LEU A 67 -3.848 15.482 -24.840 1.00 61.04 H new ATOM 0 HD21 LEU A 67 -6.348 15.642 -26.632 1.00 32.13 H new ATOM 0 HD22 LEU A 67 -5.987 16.807 -25.336 1.00 32.13 H new ATOM 0 HD23 LEU A 67 -6.267 17.382 -26.996 1.00 32.13 H new ATOM 1012 N HIS A 68 -0.463 16.696 -26.881 1.00 52.23 N ATOM 1013 CA HIS A 68 0.395 15.531 -27.066 1.00 14.12 C ATOM 1014 C HIS A 68 0.666 14.840 -25.733 1.00 70.31 C ATOM 1015 O HIS A 68 1.042 15.484 -24.753 1.00 74.14 O ATOM 1016 CB HIS A 68 1.715 15.942 -27.719 1.00 32.33 C ATOM 1017 CG HIS A 68 2.093 15.091 -28.892 1.00 31.11 C ATOM 1018 ND1 HIS A 68 2.335 13.737 -28.793 1.00 21.02 N ATOM 1019 CD2 HIS A 68 2.268 15.408 -30.196 1.00 4.51 C ATOM 1020 CE1 HIS A 68 2.645 13.259 -29.985 1.00 10.03 C ATOM 1021 NE2 HIS A 68 2.611 14.253 -30.854 1.00 22.01 N ATOM 0 H HIS A 68 -0.097 17.390 -26.229 1.00 52.23 H new ATOM 0 HA HIS A 68 -0.122 14.829 -27.721 1.00 14.12 H new ATOM 0 HB2 HIS A 68 1.643 16.981 -28.042 1.00 32.33 H new ATOM 0 HB3 HIS A 68 2.510 15.894 -26.975 1.00 32.33 H new ATOM 0 HD2 HIS A 68 2.158 16.388 -30.637 1.00 4.51 H new ATOM 0 HE1 HIS A 68 2.885 12.230 -30.210 1.00 10.03 H new ATOM 0 HE2 HIS A 68 2.808 14.175 -31.852 1.00 22.01 H new ATOM 1029 N TYR A 69 0.473 13.526 -25.704 1.00 34.22 N ATOM 1030 CA TYR A 69 0.693 12.748 -24.491 1.00 23.34 C ATOM 1031 C TYR A 69 1.355 11.412 -24.813 1.00 64.32 C ATOM 1032 O TYR A 69 0.777 10.571 -25.501 1.00 62.21 O ATOM 1033 CB TYR A 69 -0.631 12.511 -23.764 1.00 35.44 C ATOM 1034 CG TYR A 69 -0.507 11.609 -22.556 1.00 43.30 C ATOM 1035 CD1 TYR A 69 -0.562 10.227 -22.687 1.00 41.31 C ATOM 1036 CD2 TYR A 69 -0.332 12.140 -21.284 1.00 14.23 C ATOM 1037 CE1 TYR A 69 -0.449 9.400 -21.586 1.00 51.44 C ATOM 1038 CE2 TYR A 69 -0.217 11.321 -20.177 1.00 71.25 C ATOM 1039 CZ TYR A 69 -0.277 9.952 -20.334 1.00 24.32 C ATOM 1040 OH TYR A 69 -0.162 9.131 -19.235 1.00 54.20 O ATOM 0 H TYR A 69 0.165 12.977 -26.507 1.00 34.22 H new ATOM 0 HA TYR A 69 1.359 13.316 -23.842 1.00 23.34 H new ATOM 0 HB2 TYR A 69 -1.040 13.471 -23.449 1.00 35.44 H new ATOM 0 HB3 TYR A 69 -1.345 12.074 -24.461 1.00 35.44 H new ATOM 0 HD1 TYR A 69 -0.695 9.792 -23.666 1.00 41.31 H new ATOM 0 HD2 TYR A 69 -0.285 13.212 -21.158 1.00 14.23 H new ATOM 0 HE1 TYR A 69 -0.495 8.328 -21.705 1.00 51.44 H new ATOM 0 HE2 TYR A 69 -0.081 11.750 -19.195 1.00 71.25 H new ATOM 0 HH TYR A 69 -0.045 9.677 -18.430 1.00 54.20 H new ATOM 1050 N GLN A 70 2.571 11.225 -24.310 1.00 64.33 N ATOM 1051 CA GLN A 70 3.313 9.991 -24.545 1.00 1.35 C ATOM 1052 C GLN A 70 3.661 9.838 -26.021 1.00 64.34 C ATOM 1053 O GLN A 70 4.778 10.139 -26.441 1.00 10.13 O ATOM 1054 CB GLN A 70 2.500 8.785 -24.072 1.00 20.10 C ATOM 1055 CG GLN A 70 2.989 8.199 -22.757 1.00 14.31 C ATOM 1056 CD GLN A 70 3.340 6.729 -22.868 1.00 30.24 C ATOM 1057 OE1 GLN A 70 4.499 6.342 -22.711 1.00 75.04 O ATOM 1058 NE2 GLN A 70 2.339 5.899 -23.138 1.00 51.42 N ATOM 0 H GLN A 70 3.063 11.911 -23.738 1.00 64.33 H new ATOM 0 HA GLN A 70 4.241 10.040 -23.976 1.00 1.35 H new ATOM 0 HB2 GLN A 70 1.457 9.081 -23.963 1.00 20.10 H new ATOM 0 HB3 GLN A 70 2.533 8.012 -24.839 1.00 20.10 H new ATOM 0 HG2 GLN A 70 3.865 8.753 -22.420 1.00 14.31 H new ATOM 0 HG3 GLN A 70 2.218 8.328 -21.997 1.00 14.31 H new ATOM 0 HE21 GLN A 70 1.394 6.263 -23.260 1.00 51.42 H new ATOM 0 HE22 GLN A 70 2.515 4.898 -23.223 1.00 51.42 H new ATOM 1067 N GLY A 71 2.697 9.366 -26.806 1.00 41.11 N ATOM 1068 CA GLY A 71 2.922 9.180 -28.228 1.00 11.23 C ATOM 1069 C GLY A 71 1.674 9.434 -29.050 1.00 43.31 C ATOM 1070 O GLY A 71 1.620 9.090 -30.231 1.00 54.22 O ATOM 0 H GLY A 71 1.764 9.109 -26.483 1.00 41.11 H new ATOM 0 HA2 GLY A 71 3.714 9.852 -28.558 1.00 11.23 H new ATOM 0 HA3 GLY A 71 3.271 8.163 -28.408 1.00 11.23 H new ATOM 1074 N HIS A 72 0.668 10.037 -28.425 1.00 51.30 N ATOM 1075 CA HIS A 72 -0.586 10.336 -29.107 1.00 13.30 C ATOM 1076 C HIS A 72 -0.775 11.842 -29.262 1.00 43.42 C ATOM 1077 O HIS A 72 -0.241 12.627 -28.480 1.00 4.44 O ATOM 1078 CB HIS A 72 -1.765 9.740 -28.337 1.00 22.12 C ATOM 1079 CG HIS A 72 -2.364 8.536 -28.997 1.00 1.15 C ATOM 1080 ND1 HIS A 72 -3.124 8.607 -30.145 1.00 1.31 N ATOM 1081 CD2 HIS A 72 -2.310 7.225 -28.664 1.00 2.34 C ATOM 1082 CE1 HIS A 72 -3.513 7.393 -30.489 1.00 22.41 C ATOM 1083 NE2 HIS A 72 -3.032 6.536 -29.606 1.00 63.45 N ATOM 0 H HIS A 72 0.697 10.328 -27.448 1.00 51.30 H new ATOM 0 HA HIS A 72 -0.546 9.888 -30.100 1.00 13.30 H new ATOM 0 HB2 HIS A 72 -1.434 9.468 -27.335 1.00 22.12 H new ATOM 0 HB3 HIS A 72 -2.536 10.502 -28.222 1.00 22.12 H new ATOM 0 HD2 HIS A 72 -1.795 6.800 -27.815 1.00 2.34 H new ATOM 0 HE1 HIS A 72 -4.121 7.143 -31.346 1.00 22.41 H new ATOM 0 HE2 HIS A 72 -3.174 5.526 -29.622 1.00 63.45 H new ATOM 1091 N GLU A 73 -1.537 12.237 -30.278 1.00 4.25 N ATOM 1092 CA GLU A 73 -1.793 13.649 -30.535 1.00 51.32 C ATOM 1093 C GLU A 73 -3.242 13.870 -30.962 1.00 4.25 C ATOM 1094 O GLU A 73 -3.781 13.123 -31.778 1.00 33.15 O ATOM 1095 CB GLU A 73 -0.846 14.173 -31.617 1.00 11.42 C ATOM 1096 CG GLU A 73 -1.204 13.706 -33.018 1.00 1.14 C ATOM 1097 CD GLU A 73 -0.270 14.263 -34.075 1.00 13.23 C ATOM 1098 OE1 GLU A 73 0.491 15.201 -33.758 1.00 0.30 O ATOM 1099 OE2 GLU A 73 -0.301 13.762 -35.218 1.00 21.01 O ATOM 0 H GLU A 73 -1.987 11.600 -30.935 1.00 4.25 H new ATOM 0 HA GLU A 73 -1.616 14.198 -29.610 1.00 51.32 H new ATOM 0 HB2 GLU A 73 -0.850 15.263 -31.594 1.00 11.42 H new ATOM 0 HB3 GLU A 73 0.170 13.853 -31.385 1.00 11.42 H new ATOM 0 HG2 GLU A 73 -1.177 12.617 -33.052 1.00 1.14 H new ATOM 0 HG3 GLU A 73 -2.226 14.007 -33.247 1.00 1.14 H new ATOM 1106 N VAL A 74 -3.866 14.902 -30.403 1.00 11.05 N ATOM 1107 CA VAL A 74 -5.252 15.223 -30.724 1.00 65.32 C ATOM 1108 C VAL A 74 -5.408 16.700 -31.067 1.00 33.02 C ATOM 1109 O VAL A 74 -4.803 17.563 -30.431 1.00 62.12 O ATOM 1110 CB VAL A 74 -6.194 14.875 -29.556 1.00 42.04 C ATOM 1111 CG1 VAL A 74 -7.647 15.007 -29.985 1.00 51.12 C ATOM 1112 CG2 VAL A 74 -5.907 13.473 -29.040 1.00 41.12 C ATOM 0 H VAL A 74 -3.434 15.530 -29.726 1.00 11.05 H new ATOM 0 HA VAL A 74 -5.524 14.621 -31.591 1.00 65.32 H new ATOM 0 HB VAL A 74 -6.014 15.580 -28.744 1.00 42.04 H new ATOM 0 HG11 VAL A 74 -8.298 14.757 -29.147 1.00 51.12 H new ATOM 0 HG12 VAL A 74 -7.841 16.032 -30.302 1.00 51.12 H new ATOM 0 HG13 VAL A 74 -7.845 14.327 -30.813 1.00 51.12 H new ATOM 0 HG21 VAL A 74 -6.582 13.244 -28.215 1.00 41.12 H new ATOM 0 HG22 VAL A 74 -6.058 12.752 -29.843 1.00 41.12 H new ATOM 0 HG23 VAL A 74 -4.876 13.418 -28.691 1.00 41.12 H new ATOM 1122 N SER A 75 -6.226 16.984 -32.076 1.00 3.33 N ATOM 1123 CA SER A 75 -6.460 18.358 -32.506 1.00 32.23 C ATOM 1124 C SER A 75 -7.793 18.874 -31.972 1.00 50.01 C ATOM 1125 O SER A 75 -8.746 18.112 -31.808 1.00 11.13 O ATOM 1126 CB SER A 75 -6.440 18.447 -34.033 1.00 35.21 C ATOM 1127 OG SER A 75 -7.753 18.384 -34.564 1.00 64.24 O ATOM 0 H SER A 75 -6.737 16.282 -32.610 1.00 3.33 H new ATOM 0 HA SER A 75 -5.661 18.981 -32.103 1.00 32.23 H new ATOM 0 HB2 SER A 75 -5.964 19.378 -34.340 1.00 35.21 H new ATOM 0 HB3 SER A 75 -5.840 17.633 -34.440 1.00 35.21 H new ATOM 0 HG SER A 75 -7.714 18.444 -35.541 1.00 64.24 H new ATOM 1133 N PHE A 76 -7.852 20.174 -31.703 1.00 42.11 N ATOM 1134 CA PHE A 76 -9.067 20.794 -31.187 1.00 23.21 C ATOM 1135 C PHE A 76 -9.100 22.283 -31.517 1.00 1.34 C ATOM 1136 O PHE A 76 -8.120 22.843 -32.008 1.00 41.14 O ATOM 1137 CB PHE A 76 -9.164 20.593 -29.673 1.00 64.32 C ATOM 1138 CG PHE A 76 -9.641 19.224 -29.280 1.00 1.14 C ATOM 1139 CD1 PHE A 76 -10.876 18.758 -29.702 1.00 4.52 C ATOM 1140 CD2 PHE A 76 -8.855 18.403 -28.487 1.00 1.32 C ATOM 1141 CE1 PHE A 76 -11.318 17.499 -29.342 1.00 3.33 C ATOM 1142 CE2 PHE A 76 -9.291 17.143 -28.124 1.00 14.20 C ATOM 1143 CZ PHE A 76 -10.525 16.691 -28.551 1.00 2.12 C ATOM 0 H PHE A 76 -7.073 20.819 -31.834 1.00 42.11 H new ATOM 0 HA PHE A 76 -9.921 20.315 -31.666 1.00 23.21 H new ATOM 0 HB2 PHE A 76 -8.185 20.770 -29.227 1.00 64.32 H new ATOM 0 HB3 PHE A 76 -9.842 21.339 -29.258 1.00 64.32 H new ATOM 0 HD1 PHE A 76 -11.501 19.386 -30.320 1.00 4.52 H new ATOM 0 HD2 PHE A 76 -7.891 18.752 -28.149 1.00 1.32 H new ATOM 0 HE1 PHE A 76 -12.282 17.148 -29.679 1.00 3.33 H new ATOM 0 HE2 PHE A 76 -8.668 16.512 -27.507 1.00 14.20 H new ATOM 0 HZ PHE A 76 -10.869 15.707 -28.267 1.00 2.12 H new ATOM 1153 N ASP A 77 -10.234 22.918 -31.243 1.00 0.43 N ATOM 1154 CA ASP A 77 -10.396 24.343 -31.509 1.00 71.02 C ATOM 1155 C ASP A 77 -10.905 25.073 -30.270 1.00 54.14 C ATOM 1156 O ASP A 77 -11.677 24.522 -29.485 1.00 60.23 O ATOM 1157 CB ASP A 77 -11.361 24.559 -32.676 1.00 60.32 C ATOM 1158 CG ASP A 77 -11.122 23.584 -33.812 1.00 74.24 C ATOM 1159 OD1 ASP A 77 -9.945 23.353 -34.159 1.00 22.51 O ATOM 1160 OD2 ASP A 77 -12.113 23.051 -34.355 1.00 11.43 O ATOM 0 H ASP A 77 -11.055 22.469 -30.837 1.00 0.43 H new ATOM 0 HA ASP A 77 -9.421 24.751 -31.774 1.00 71.02 H new ATOM 0 HB2 ASP A 77 -12.386 24.454 -32.320 1.00 60.32 H new ATOM 0 HB3 ASP A 77 -11.255 25.578 -33.047 1.00 60.32 H new ATOM 1165 N VAL A 78 -10.467 26.317 -30.101 1.00 34.33 N ATOM 1166 CA VAL A 78 -10.879 27.123 -28.957 1.00 63.34 C ATOM 1167 C VAL A 78 -11.619 28.377 -29.407 1.00 50.13 C ATOM 1168 O VAL A 78 -11.231 29.026 -30.380 1.00 24.50 O ATOM 1169 CB VAL A 78 -9.669 27.534 -28.097 1.00 14.40 C ATOM 1170 CG1 VAL A 78 -8.786 28.516 -28.852 1.00 13.33 C ATOM 1171 CG2 VAL A 78 -10.134 28.129 -26.776 1.00 23.11 C ATOM 0 H VAL A 78 -9.828 26.788 -30.741 1.00 34.33 H new ATOM 0 HA VAL A 78 -11.548 26.506 -28.358 1.00 63.34 H new ATOM 0 HB VAL A 78 -9.078 26.644 -27.881 1.00 14.40 H new ATOM 0 HG11 VAL A 78 -7.936 28.795 -28.229 1.00 13.33 H new ATOM 0 HG12 VAL A 78 -8.426 28.050 -29.769 1.00 13.33 H new ATOM 0 HG13 VAL A 78 -9.362 29.407 -29.100 1.00 13.33 H new ATOM 0 HG21 VAL A 78 -9.267 28.414 -26.180 1.00 23.11 H new ATOM 0 HG22 VAL A 78 -10.747 29.009 -26.969 1.00 23.11 H new ATOM 0 HG23 VAL A 78 -10.722 27.390 -26.231 1.00 23.11 H new ATOM 1181 N LEU A 79 -12.687 28.715 -28.694 1.00 33.34 N ATOM 1182 CA LEU A 79 -13.483 29.893 -29.019 1.00 14.25 C ATOM 1183 C LEU A 79 -13.751 30.730 -27.772 1.00 13.13 C ATOM 1184 O LEU A 79 -14.297 30.236 -26.785 1.00 53.11 O ATOM 1185 CB LEU A 79 -14.807 29.477 -29.662 1.00 15.14 C ATOM 1186 CG LEU A 79 -14.705 28.521 -30.851 1.00 0.42 C ATOM 1187 CD1 LEU A 79 -15.811 27.479 -30.795 1.00 0.12 C ATOM 1188 CD2 LEU A 79 -14.762 29.293 -32.161 1.00 73.33 C ATOM 0 H LEU A 79 -13.022 28.190 -27.886 1.00 33.34 H new ATOM 0 HA LEU A 79 -12.917 30.499 -29.727 1.00 14.25 H new ATOM 0 HB2 LEU A 79 -15.428 29.009 -28.898 1.00 15.14 H new ATOM 0 HB3 LEU A 79 -15.328 30.377 -29.989 1.00 15.14 H new ATOM 0 HG LEU A 79 -13.746 28.005 -30.797 1.00 0.42 H new ATOM 0 HD11 LEU A 79 -15.722 26.808 -31.649 1.00 0.12 H new ATOM 0 HD12 LEU A 79 -15.724 26.905 -29.872 1.00 0.12 H new ATOM 0 HD13 LEU A 79 -16.781 27.976 -30.823 1.00 0.12 H new ATOM 0 HD21 LEU A 79 -14.688 28.597 -32.997 1.00 73.33 H new ATOM 0 HD22 LEU A 79 -15.705 29.836 -32.223 1.00 73.33 H new ATOM 0 HD23 LEU A 79 -13.933 30.000 -32.203 1.00 73.33 H new ATOM 1200 N VAL A 80 -13.365 32.001 -27.824 1.00 53.01 N ATOM 1201 CA VAL A 80 -13.567 32.908 -26.700 1.00 43.15 C ATOM 1202 C VAL A 80 -14.821 33.753 -26.894 1.00 43.13 C ATOM 1203 O VAL A 80 -15.071 34.271 -27.983 1.00 23.22 O ATOM 1204 CB VAL A 80 -12.357 33.841 -26.509 1.00 5.43 C ATOM 1205 CG1 VAL A 80 -12.179 34.742 -27.722 1.00 20.13 C ATOM 1206 CG2 VAL A 80 -12.516 34.667 -25.241 1.00 33.53 C ATOM 0 H VAL A 80 -12.911 32.426 -28.632 1.00 53.01 H new ATOM 0 HA VAL A 80 -13.684 32.289 -25.810 1.00 43.15 H new ATOM 0 HB VAL A 80 -11.461 33.228 -26.407 1.00 5.43 H new ATOM 0 HG11 VAL A 80 -11.319 35.394 -27.568 1.00 20.13 H new ATOM 0 HG12 VAL A 80 -12.016 34.130 -28.609 1.00 20.13 H new ATOM 0 HG13 VAL A 80 -13.074 35.349 -27.859 1.00 20.13 H new ATOM 0 HG21 VAL A 80 -11.652 35.321 -25.122 1.00 33.53 H new ATOM 0 HG22 VAL A 80 -13.421 35.271 -25.311 1.00 33.53 H new ATOM 0 HG23 VAL A 80 -12.589 34.002 -24.380 1.00 33.53 H new ATOM 1216 N SER A 81 -15.606 33.889 -25.831 1.00 33.02 N ATOM 1217 CA SER A 81 -16.837 34.669 -25.884 1.00 72.04 C ATOM 1218 C SER A 81 -16.962 35.571 -24.661 1.00 13.35 C ATOM 1219 O SER A 81 -16.308 35.367 -23.638 1.00 0.53 O ATOM 1220 CB SER A 81 -18.050 33.741 -25.974 1.00 54.21 C ATOM 1221 OG SER A 81 -18.431 33.529 -27.322 1.00 75.04 O ATOM 0 H SER A 81 -15.412 33.469 -24.922 1.00 33.02 H new ATOM 0 HA SER A 81 -16.802 35.297 -26.774 1.00 72.04 H new ATOM 0 HB2 SER A 81 -17.816 32.786 -25.504 1.00 54.21 H new ATOM 0 HB3 SER A 81 -18.884 34.173 -25.421 1.00 54.21 H new ATOM 0 HG SER A 81 -19.207 32.931 -27.352 1.00 75.04 H new ATOM 1227 N PRO A 82 -17.823 36.594 -24.766 1.00 54.22 N ATOM 1228 CA PRO A 82 -18.056 37.549 -23.678 1.00 61.23 C ATOM 1229 C PRO A 82 -18.796 36.919 -22.503 1.00 40.30 C ATOM 1230 O PRO A 82 -19.773 36.193 -22.688 1.00 23.11 O ATOM 1231 CB PRO A 82 -18.917 38.631 -24.334 1.00 43.42 C ATOM 1232 CG PRO A 82 -19.602 37.939 -25.461 1.00 41.25 C ATOM 1233 CD PRO A 82 -18.637 36.897 -25.956 1.00 3.43 C ATOM 0 HA PRO A 82 -17.123 37.924 -23.258 1.00 61.23 H new ATOM 0 HB2 PRO A 82 -19.637 39.046 -23.628 1.00 43.42 H new ATOM 0 HB3 PRO A 82 -18.306 39.460 -24.691 1.00 43.42 H new ATOM 0 HG2 PRO A 82 -20.534 37.481 -25.129 1.00 41.25 H new ATOM 0 HG3 PRO A 82 -19.857 38.643 -26.254 1.00 41.25 H new ATOM 0 HD2 PRO A 82 -19.155 36.012 -26.324 1.00 3.43 H new ATOM 0 HD3 PRO A 82 -18.025 37.273 -26.776 1.00 3.43 H new