USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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: B 201 ASN : amide:sc= -0.356 K(o=-0.33,f=-3.4) USER MOD Set 1.2: B 203 GLN : amide:sc= 0.0216 K(o=-0.33,f=-3.7) USER MOD Set 2.1: A 36 HIS : no HD1:sc= -0.651 X(o=-1,f=-0.96) USER MOD Set 2.2: A 39 GLN : amide:sc= -0.345 X(o=-1,f=-0.96) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 9 ASN : amide:sc= 0.988 K(o=0.99,f=0) USER MOD Single : A 12 SER OG : rot 69:sc= 0.185 USER MOD Single : A 13 TYR OH : rot 54:sc= 1.23 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 24 HIS : no HD1:sc= -0.0948 X(o=-0.095,f=-0.093) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 103:sc= 1.22 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 90:sc= 1.24 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.281 K(o=-0.28,f=-1.5) USER MOD Single : A 69 GLN : amide:sc= 0.123 K(o=0.12,f=-0.5) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : B 204 MET CE :methyl 164:sc= 0 (180deg=-0.049) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 34.745 44.976 39.206 1.00 0.00 N ATOM 53 CA VAL A 5 35.423 44.051 40.061 1.00 0.00 C ATOM 54 C VAL A 5 35.325 42.678 39.489 1.00 0.00 C ATOM 55 O VAL A 5 36.307 41.953 39.331 1.00 0.00 O ATOM 56 CB VAL A 5 34.826 44.096 41.436 1.00 0.00 C ATOM 57 CG1 VAL A 5 35.315 42.932 42.313 1.00 0.00 C ATOM 58 CG2 VAL A 5 35.238 45.444 42.050 1.00 0.00 C ATOM 0 HA VAL A 5 36.475 44.325 40.133 1.00 0.00 H new ATOM 0 HB VAL A 5 33.742 43.997 41.378 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.858 43.003 43.300 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.035 41.985 41.851 1.00 0.00 H new ATOM 0 HG13 VAL A 5 36.400 42.981 42.411 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.827 45.527 43.056 1.00 0.00 H new ATOM 0 HG22 VAL A 5 36.325 45.506 42.096 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.855 46.257 41.433 1.00 0.00 H new ATOM 68 N GLU A 6 34.103 42.277 39.097 1.00 0.00 N ATOM 69 CA GLU A 6 33.864 41.002 38.497 1.00 0.00 C ATOM 70 C GLU A 6 34.432 40.868 37.126 1.00 0.00 C ATOM 71 O GLU A 6 34.730 39.757 36.692 1.00 0.00 O ATOM 72 CB GLU A 6 32.376 40.617 38.557 1.00 0.00 C ATOM 73 CG GLU A 6 32.047 40.013 39.924 1.00 0.00 C ATOM 74 CD GLU A 6 30.558 39.817 40.177 1.00 0.00 C ATOM 75 OE1 GLU A 6 29.722 40.324 39.381 1.00 0.00 O ATOM 76 OE2 GLU A 6 30.215 39.186 41.212 1.00 0.00 O ATOM 0 H GLU A 6 33.265 42.849 39.199 1.00 0.00 H new ATOM 0 HA GLU A 6 34.413 40.279 39.101 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.757 41.496 38.380 1.00 0.00 H new ATOM 0 HB3 GLU A 6 32.145 39.901 37.769 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.549 39.050 40.014 1.00 0.00 H new ATOM 0 HG3 GLU A 6 32.455 40.659 40.702 1.00 0.00 H new ATOM 83 N PHE A 7 34.731 41.995 36.455 1.00 0.00 N ATOM 84 CA PHE A 7 35.553 41.942 35.287 1.00 0.00 C ATOM 85 C PHE A 7 36.922 41.436 35.592 1.00 0.00 C ATOM 86 O PHE A 7 37.396 40.516 34.928 1.00 0.00 O ATOM 87 CB PHE A 7 35.586 43.307 34.577 1.00 0.00 C ATOM 88 CG PHE A 7 36.172 43.244 33.210 1.00 0.00 C ATOM 89 CD1 PHE A 7 35.677 42.366 32.274 1.00 0.00 C ATOM 90 CD2 PHE A 7 37.205 44.082 32.859 1.00 0.00 C ATOM 91 CE1 PHE A 7 36.219 42.307 31.011 1.00 0.00 C ATOM 92 CE2 PHE A 7 37.737 44.046 31.591 1.00 0.00 C ATOM 93 CZ PHE A 7 37.250 43.150 30.669 1.00 0.00 C ATOM 0 H PHE A 7 34.410 42.927 36.715 1.00 0.00 H new ATOM 0 HA PHE A 7 35.106 41.224 34.599 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.571 43.700 34.512 1.00 0.00 H new ATOM 0 HB3 PHE A 7 36.162 44.009 35.180 1.00 0.00 H new ATOM 0 HD1 PHE A 7 34.854 41.716 32.533 1.00 0.00 H new ATOM 0 HD2 PHE A 7 37.602 44.775 33.586 1.00 0.00 H new ATOM 0 HE1 PHE A 7 35.836 41.600 30.290 1.00 0.00 H new ATOM 0 HE2 PHE A 7 38.536 44.720 31.320 1.00 0.00 H new ATOM 0 HZ PHE A 7 37.677 43.108 29.678 1.00 0.00 H new ATOM 103 N ASN A 8 37.567 41.920 36.667 1.00 0.00 N ATOM 104 CA ASN A 8 38.906 41.603 37.056 1.00 0.00 C ATOM 105 C ASN A 8 38.997 40.225 37.616 1.00 0.00 C ATOM 106 O ASN A 8 40.024 39.557 37.510 1.00 0.00 O ATOM 107 CB ASN A 8 39.443 42.595 38.102 1.00 0.00 C ATOM 108 CG ASN A 8 39.964 43.874 37.464 1.00 0.00 C ATOM 109 OD1 ASN A 8 39.407 44.444 36.528 1.00 0.00 O ATOM 110 ND2 ASN A 8 41.108 44.378 38.000 1.00 0.00 N ATOM 0 H ASN A 8 37.123 42.577 37.308 1.00 0.00 H new ATOM 0 HA ASN A 8 39.513 41.670 36.153 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.650 42.840 38.809 1.00 0.00 H new ATOM 0 HB3 ASN A 8 40.243 42.123 38.672 1.00 0.00 H new ATOM 0 HD21 ASN A 8 41.512 45.237 37.625 1.00 0.00 H new ATOM 0 HD22 ASN A 8 41.562 43.897 38.777 1.00 0.00 H new ATOM 117 N ASN A 9 37.912 39.709 38.223 1.00 0.00 N ATOM 118 CA ASN A 9 37.825 38.352 38.667 1.00 0.00 C ATOM 119 C ASN A 9 37.763 37.392 37.529 1.00 0.00 C ATOM 120 O ASN A 9 38.291 36.286 37.624 1.00 0.00 O ATOM 121 CB ASN A 9 36.624 38.111 39.595 1.00 0.00 C ATOM 122 CG ASN A 9 36.920 38.594 41.009 1.00 0.00 C ATOM 123 OD1 ASN A 9 37.097 37.784 41.918 1.00 0.00 O ATOM 124 ND2 ASN A 9 36.954 39.933 41.239 1.00 0.00 N ATOM 0 H ASN A 9 37.070 40.253 38.410 1.00 0.00 H new ATOM 0 HA ASN A 9 38.740 38.175 39.232 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.749 38.631 39.205 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.382 37.048 39.613 1.00 0.00 H new ATOM 0 HD21 ASN A 9 37.129 40.284 42.180 1.00 0.00 H new ATOM 0 HD22 ASN A 9 36.805 40.586 40.470 1.00 0.00 H new ATOM 131 N ALA A 10 37.154 37.799 36.401 1.00 0.00 N ATOM 132 CA ALA A 10 37.158 37.080 35.164 1.00 0.00 C ATOM 133 C ALA A 10 38.499 37.055 34.514 1.00 0.00 C ATOM 134 O ALA A 10 38.957 36.000 34.077 1.00 0.00 O ATOM 135 CB ALA A 10 36.080 37.641 34.221 1.00 0.00 C ATOM 0 H ALA A 10 36.632 38.674 36.349 1.00 0.00 H new ATOM 0 HA ALA A 10 36.918 36.041 35.390 1.00 0.00 H new ATOM 0 HB1 ALA A 10 36.093 37.086 33.283 1.00 0.00 H new ATOM 0 HB2 ALA A 10 35.100 37.542 34.688 1.00 0.00 H new ATOM 0 HB3 ALA A 10 36.282 38.694 34.023 1.00 0.00 H new ATOM 141 N ILE A 11 39.226 38.185 34.476 1.00 0.00 N ATOM 142 CA ILE A 11 40.555 38.306 33.959 1.00 0.00 C ATOM 143 C ILE A 11 41.511 37.317 34.533 1.00 0.00 C ATOM 144 O ILE A 11 42.261 36.650 33.822 1.00 0.00 O ATOM 145 CB ILE A 11 41.165 39.650 34.217 1.00 0.00 C ATOM 146 CG1 ILE A 11 40.298 40.822 33.726 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.521 39.823 33.511 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.691 40.648 32.334 1.00 0.00 C ATOM 0 H ILE A 11 38.863 39.071 34.829 1.00 0.00 H new ATOM 0 HA ILE A 11 40.416 38.133 32.892 1.00 0.00 H new ATOM 0 HB ILE A 11 41.267 39.676 35.302 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.489 40.978 34.440 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.905 41.727 33.729 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.921 40.813 33.729 1.00 0.00 H new ATOM 0 HG22 ILE A 11 43.217 39.064 33.868 1.00 0.00 H new ATOM 0 HG23 ILE A 11 42.387 39.715 32.435 1.00 0.00 H new ATOM 0 HD11 ILE A 11 39.099 41.528 32.083 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.489 40.526 31.602 1.00 0.00 H new ATOM 0 HD13 ILE A 11 39.051 39.765 32.324 1.00 0.00 H new ATOM 160 N SER A 12 41.472 37.179 35.869 1.00 0.00 N ATOM 161 CA SER A 12 42.236 36.240 36.632 1.00 0.00 C ATOM 162 C SER A 12 42.102 34.829 36.174 1.00 0.00 C ATOM 163 O SER A 12 43.073 34.073 36.145 1.00 0.00 O ATOM 164 CB SER A 12 41.869 36.245 38.125 1.00 0.00 C ATOM 165 OG SER A 12 42.100 37.521 38.703 1.00 0.00 O ATOM 0 H SER A 12 40.870 37.759 36.453 1.00 0.00 H new ATOM 0 HA SER A 12 43.259 36.582 36.477 1.00 0.00 H new ATOM 0 HB2 SER A 12 40.821 35.972 38.246 1.00 0.00 H new ATOM 0 HB3 SER A 12 42.457 35.492 38.650 1.00 0.00 H new ATOM 0 HG SER A 12 41.459 38.166 38.338 1.00 0.00 H new ATOM 171 N TYR A 13 40.885 34.432 35.762 1.00 0.00 N ATOM 172 CA TYR A 13 40.584 33.132 35.249 1.00 0.00 C ATOM 173 C TYR A 13 41.205 32.915 33.912 1.00 0.00 C ATOM 174 O TYR A 13 41.959 31.961 33.728 1.00 0.00 O ATOM 175 CB TYR A 13 39.059 32.940 35.209 1.00 0.00 C ATOM 176 CG TYR A 13 38.581 31.553 34.945 1.00 0.00 C ATOM 177 CD1 TYR A 13 39.245 30.413 35.332 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.379 31.436 34.289 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.725 29.173 35.046 1.00 0.00 C ATOM 180 CE2 TYR A 13 36.860 30.203 33.969 1.00 0.00 C ATOM 181 CZ TYR A 13 37.546 29.072 34.347 1.00 0.00 C ATOM 182 OH TYR A 13 37.041 27.805 33.987 1.00 0.00 O ATOM 0 H TYR A 13 40.072 35.047 35.788 1.00 0.00 H new ATOM 0 HA TYR A 13 41.013 32.381 35.913 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.646 33.270 36.162 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.650 33.596 34.441 1.00 0.00 H new ATOM 0 HD1 TYR A 13 40.181 30.492 35.864 1.00 0.00 H new ATOM 0 HD2 TYR A 13 36.832 32.328 34.020 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.241 28.281 35.370 1.00 0.00 H new ATOM 0 HE2 TYR A 13 35.928 30.124 33.429 1.00 0.00 H new ATOM 0 HH TYR A 13 36.967 27.243 34.787 1.00 0.00 H new ATOM 192 N VAL A 14 40.983 33.815 32.938 1.00 0.00 N ATOM 193 CA VAL A 14 41.564 33.778 31.632 1.00 0.00 C ATOM 194 C VAL A 14 43.054 33.786 31.652 1.00 0.00 C ATOM 195 O VAL A 14 43.706 33.030 30.934 1.00 0.00 O ATOM 196 CB VAL A 14 41.093 34.894 30.747 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.377 34.523 29.282 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.576 35.089 30.897 1.00 0.00 C ATOM 0 H VAL A 14 40.363 34.614 33.070 1.00 0.00 H new ATOM 0 HA VAL A 14 41.222 32.829 31.220 1.00 0.00 H new ATOM 0 HB VAL A 14 41.614 35.809 31.030 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.038 35.328 28.630 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.448 34.372 29.146 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.847 33.605 29.030 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.248 35.902 30.249 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.061 34.170 30.615 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.341 35.333 31.933 1.00 0.00 H new ATOM 208 N ASN A 15 43.668 34.610 32.520 1.00 0.00 N ATOM 209 CA ASN A 15 45.072 34.572 32.794 1.00 0.00 C ATOM 210 C ASN A 15 45.595 33.253 33.246 1.00 0.00 C ATOM 211 O ASN A 15 46.611 32.771 32.750 1.00 0.00 O ATOM 212 CB ASN A 15 45.411 35.641 33.845 1.00 0.00 C ATOM 213 CG ASN A 15 46.904 35.927 33.943 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.635 35.854 32.956 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.386 36.244 35.174 1.00 0.00 N ATOM 0 H ASN A 15 43.171 35.327 33.049 1.00 0.00 H new ATOM 0 HA ASN A 15 45.562 34.768 31.841 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.885 36.564 33.599 1.00 0.00 H new ATOM 0 HB3 ASN A 15 45.044 35.315 34.818 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.381 36.430 35.300 1.00 0.00 H new ATOM 0 HD22 ASN A 15 46.753 36.296 35.972 1.00 0.00 H new ATOM 222 N LYS A 16 44.936 32.556 34.189 1.00 0.00 N ATOM 223 CA LYS A 16 45.324 31.252 34.630 1.00 0.00 C ATOM 224 C LYS A 16 45.231 30.216 33.564 1.00 0.00 C ATOM 225 O LYS A 16 46.092 29.349 33.421 1.00 0.00 O ATOM 226 CB LYS A 16 44.467 30.869 35.848 1.00 0.00 C ATOM 227 CG LYS A 16 45.248 30.109 36.922 1.00 0.00 C ATOM 228 CD LYS A 16 44.347 29.826 38.126 1.00 0.00 C ATOM 229 CE LYS A 16 44.907 28.844 39.158 1.00 0.00 C ATOM 230 NZ LYS A 16 45.933 29.442 40.040 1.00 0.00 N ATOM 0 H LYS A 16 44.105 32.912 34.661 1.00 0.00 H new ATOM 0 HA LYS A 16 46.378 31.291 34.904 1.00 0.00 H new ATOM 0 HB2 LYS A 16 44.046 31.774 36.286 1.00 0.00 H new ATOM 0 HB3 LYS A 16 43.629 30.256 35.516 1.00 0.00 H new ATOM 0 HG2 LYS A 16 45.626 29.172 36.513 1.00 0.00 H new ATOM 0 HG3 LYS A 16 46.114 30.693 37.235 1.00 0.00 H new ATOM 0 HD2 LYS A 16 44.135 30.770 38.628 1.00 0.00 H new ATOM 0 HD3 LYS A 16 43.396 29.438 37.761 1.00 0.00 H new ATOM 0 HE2 LYS A 16 44.088 28.465 39.770 1.00 0.00 H new ATOM 0 HE3 LYS A 16 45.339 27.989 38.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 46.271 28.726 40.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 46.731 29.780 39.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 45.519 30.241 40.561 1.00 0.00 H new ATOM 244 N ILE A 17 44.193 30.319 32.715 1.00 0.00 N ATOM 245 CA ILE A 17 43.950 29.524 31.551 1.00 0.00 C ATOM 246 C ILE A 17 44.979 29.745 30.497 1.00 0.00 C ATOM 247 O ILE A 17 45.448 28.797 29.867 1.00 0.00 O ATOM 248 CB ILE A 17 42.564 29.806 31.052 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.522 29.215 32.018 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.352 29.289 29.619 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.088 29.640 31.709 1.00 0.00 C ATOM 0 H ILE A 17 43.463 31.018 32.856 1.00 0.00 H new ATOM 0 HA ILE A 17 44.025 28.470 31.819 1.00 0.00 H new ATOM 0 HB ILE A 17 42.434 30.888 31.018 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.584 28.127 31.985 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.770 29.517 33.035 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.335 29.514 29.298 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.061 29.775 28.948 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.510 28.211 29.594 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.410 29.185 32.431 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.009 30.725 31.771 1.00 0.00 H new ATOM 0 HD13 ILE A 17 39.820 29.314 30.704 1.00 0.00 H new ATOM 263 N LYS A 18 45.416 30.995 30.260 1.00 0.00 N ATOM 264 CA LYS A 18 46.504 31.296 29.383 1.00 0.00 C ATOM 265 C LYS A 18 47.772 30.678 29.863 1.00 0.00 C ATOM 266 O LYS A 18 48.482 30.031 29.094 1.00 0.00 O ATOM 267 CB LYS A 18 46.624 32.794 29.052 1.00 0.00 C ATOM 268 CG LYS A 18 47.765 33.598 29.681 1.00 0.00 C ATOM 269 CD LYS A 18 47.863 35.043 29.193 1.00 0.00 C ATOM 270 CE LYS A 18 48.485 35.190 27.802 1.00 0.00 C ATOM 271 NZ LYS A 18 48.516 36.606 27.374 1.00 0.00 N ATOM 0 H LYS A 18 45.000 31.820 30.691 1.00 0.00 H new ATOM 0 HA LYS A 18 46.280 30.832 28.422 1.00 0.00 H new ATOM 0 HB2 LYS A 18 46.712 32.887 27.970 1.00 0.00 H new ATOM 0 HB3 LYS A 18 45.687 33.272 29.338 1.00 0.00 H new ATOM 0 HG2 LYS A 18 47.637 33.601 30.764 1.00 0.00 H new ATOM 0 HG3 LYS A 18 48.708 33.092 29.472 1.00 0.00 H new ATOM 0 HD2 LYS A 18 46.865 35.480 29.181 1.00 0.00 H new ATOM 0 HD3 LYS A 18 48.454 35.617 29.906 1.00 0.00 H new ATOM 0 HE2 LYS A 18 49.498 34.788 27.810 1.00 0.00 H new ATOM 0 HE3 LYS A 18 47.915 34.603 27.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 48.943 36.673 26.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 47.546 36.981 27.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 49.081 37.160 28.049 1.00 0.00 H new ATOM 285 N THR A 19 48.069 30.792 31.170 1.00 0.00 N ATOM 286 CA THR A 19 49.278 30.345 31.788 1.00 0.00 C ATOM 287 C THR A 19 49.510 28.873 31.757 1.00 0.00 C ATOM 288 O THR A 19 50.637 28.427 31.550 1.00 0.00 O ATOM 289 CB THR A 19 49.393 30.860 33.192 1.00 0.00 C ATOM 290 OG1 THR A 19 49.198 32.266 33.224 1.00 0.00 O ATOM 291 CG2 THR A 19 50.812 30.643 33.742 1.00 0.00 C ATOM 0 H THR A 19 47.426 31.222 31.834 1.00 0.00 H new ATOM 0 HA THR A 19 50.066 30.771 31.167 1.00 0.00 H new ATOM 0 HB THR A 19 48.645 30.326 33.778 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.239 32.464 33.194 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.869 31.025 34.761 1.00 0.00 H new ATOM 0 HG22 THR A 19 51.044 29.578 33.740 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.530 31.172 33.115 1.00 0.00 H new ATOM 299 N ARG A 20 48.489 28.017 31.934 1.00 0.00 N ATOM 300 CA ARG A 20 48.681 26.603 31.825 1.00 0.00 C ATOM 301 C ARG A 20 48.586 26.049 30.444 1.00 0.00 C ATOM 302 O ARG A 20 48.945 24.896 30.217 1.00 0.00 O ATOM 303 CB ARG A 20 47.664 25.859 32.706 1.00 0.00 C ATOM 304 CG ARG A 20 47.947 25.973 34.206 1.00 0.00 C ATOM 305 CD ARG A 20 49.205 25.212 34.630 1.00 0.00 C ATOM 306 NE ARG A 20 49.315 25.326 36.111 1.00 0.00 N ATOM 307 CZ ARG A 20 50.098 24.515 36.880 1.00 0.00 C ATOM 308 NH1 ARG A 20 50.798 23.465 36.359 1.00 0.00 N ATOM 309 NH2 ARG A 20 50.170 24.723 38.228 1.00 0.00 N ATOM 0 H ARG A 20 47.534 28.301 32.152 1.00 0.00 H new ATOM 0 HA ARG A 20 49.707 26.445 32.156 1.00 0.00 H new ATOM 0 HB2 ARG A 20 46.667 26.250 32.503 1.00 0.00 H new ATOM 0 HB3 ARG A 20 47.657 24.806 32.426 1.00 0.00 H new ATOM 0 HG2 ARG A 20 48.057 27.024 34.472 1.00 0.00 H new ATOM 0 HG3 ARG A 20 47.091 25.591 34.763 1.00 0.00 H new ATOM 0 HD2 ARG A 20 49.141 24.166 34.329 1.00 0.00 H new ATOM 0 HD3 ARG A 20 50.088 25.630 34.146 1.00 0.00 H new ATOM 0 HE ARG A 20 48.773 26.053 36.578 1.00 0.00 H new ATOM 0 HH11 ARG A 20 50.747 23.263 35.360 1.00 0.00 H new ATOM 0 HH12 ARG A 20 51.372 22.882 36.968 1.00 0.00 H new ATOM 0 HH21 ARG A 20 49.640 25.482 38.656 1.00 0.00 H new ATOM 0 HH22 ARG A 20 50.754 24.119 38.807 1.00 0.00 H new ATOM 323 N PHE A 21 48.130 26.844 29.460 1.00 0.00 N ATOM 324 CA PHE A 21 48.033 26.386 28.109 1.00 0.00 C ATOM 325 C PHE A 21 48.887 27.212 27.209 1.00 0.00 C ATOM 326 O PHE A 21 48.550 27.475 26.056 1.00 0.00 O ATOM 327 CB PHE A 21 46.565 26.363 27.647 1.00 0.00 C ATOM 328 CG PHE A 21 45.749 25.388 28.423 1.00 0.00 C ATOM 329 CD1 PHE A 21 46.091 24.057 28.466 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.611 25.791 29.083 1.00 0.00 C ATOM 331 CE1 PHE A 21 45.321 23.147 29.151 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.827 24.897 29.772 1.00 0.00 C ATOM 333 CZ PHE A 21 44.187 23.569 29.804 1.00 0.00 C ATOM 0 H PHE A 21 47.827 27.808 29.601 1.00 0.00 H new ATOM 0 HA PHE A 21 48.406 25.363 28.060 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.136 27.360 27.753 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.523 26.109 26.588 1.00 0.00 H new ATOM 0 HD1 PHE A 21 46.980 23.721 27.953 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.328 26.833 29.059 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.606 22.105 29.176 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.937 25.233 30.283 1.00 0.00 H new ATOM 0 HZ PHE A 21 43.578 22.858 30.342 1.00 0.00 H new ATOM 343 N LEU A 22 50.100 27.576 27.662 1.00 0.00 N ATOM 344 CA LEU A 22 51.082 28.265 26.884 1.00 0.00 C ATOM 345 C LEU A 22 51.680 27.370 25.853 1.00 0.00 C ATOM 346 O LEU A 22 51.850 27.726 24.689 1.00 0.00 O ATOM 347 CB LEU A 22 52.212 28.854 27.746 1.00 0.00 C ATOM 348 CG LEU A 22 51.698 29.973 28.667 1.00 0.00 C ATOM 349 CD1 LEU A 22 52.807 30.358 29.660 1.00 0.00 C ATOM 350 CD2 LEU A 22 51.208 31.226 27.922 1.00 0.00 C ATOM 0 H LEU A 22 50.410 27.381 28.614 1.00 0.00 H new ATOM 0 HA LEU A 22 50.555 29.087 26.399 1.00 0.00 H new ATOM 0 HB2 LEU A 22 52.660 28.064 28.348 1.00 0.00 H new ATOM 0 HB3 LEU A 22 52.997 29.246 27.099 1.00 0.00 H new ATOM 0 HG LEU A 22 50.826 29.574 29.185 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.449 31.151 30.316 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.078 29.488 30.258 1.00 0.00 H new ATOM 0 HD13 LEU A 22 53.681 30.708 29.111 1.00 0.00 H new ATOM 0 HD21 LEU A 22 50.862 31.966 28.643 1.00 0.00 H new ATOM 0 HD22 LEU A 22 52.027 31.644 27.336 1.00 0.00 H new ATOM 0 HD23 LEU A 22 50.387 30.956 27.257 1.00 0.00 H new ATOM 362 N ASP A 23 51.950 26.117 26.262 1.00 0.00 N ATOM 363 CA ASP A 23 52.413 25.092 25.382 1.00 0.00 C ATOM 364 C ASP A 23 51.311 24.535 24.547 1.00 0.00 C ATOM 365 O ASP A 23 51.535 23.742 23.634 1.00 0.00 O ATOM 366 CB ASP A 23 53.073 23.947 26.169 1.00 0.00 C ATOM 367 CG ASP A 23 54.364 24.413 26.827 1.00 0.00 C ATOM 368 OD1 ASP A 23 54.296 24.934 27.972 1.00 0.00 O ATOM 369 OD2 ASP A 23 55.454 24.224 26.223 1.00 0.00 O ATOM 0 H ASP A 23 51.843 25.810 27.229 1.00 0.00 H new ATOM 0 HA ASP A 23 53.148 25.556 24.724 1.00 0.00 H new ATOM 0 HB2 ASP A 23 52.385 23.579 26.930 1.00 0.00 H new ATOM 0 HB3 ASP A 23 53.282 23.113 25.499 1.00 0.00 H new ATOM 374 N HIS A 24 50.055 24.936 24.811 1.00 0.00 N ATOM 375 CA HIS A 24 48.907 24.440 24.120 1.00 0.00 C ATOM 376 C HIS A 24 48.048 25.561 23.643 1.00 0.00 C ATOM 377 O HIS A 24 46.894 25.626 24.059 1.00 0.00 O ATOM 378 CB HIS A 24 48.152 23.496 25.072 1.00 0.00 C ATOM 379 CG HIS A 24 49.062 22.425 25.597 1.00 0.00 C ATOM 380 ND1 HIS A 24 49.467 21.392 24.793 1.00 0.00 N ATOM 381 CD2 HIS A 24 49.807 22.353 26.732 1.00 0.00 C ATOM 382 CE1 HIS A 24 50.428 20.723 25.403 1.00 0.00 C ATOM 383 NE2 HIS A 24 50.658 21.291 26.572 1.00 0.00 N ATOM 0 H HIS A 24 49.832 25.627 25.528 1.00 0.00 H new ATOM 0 HA HIS A 24 49.207 23.887 23.230 1.00 0.00 H new ATOM 0 HB2 HIS A 24 47.738 24.066 25.903 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.312 23.040 24.548 1.00 0.00 H new ATOM 0 HD2 HIS A 24 49.741 23.005 27.591 1.00 0.00 H new ATOM 0 HE1 HIS A 24 50.940 19.856 25.011 1.00 0.00 H new ATOM 0 HE2 HIS A 24 51.358 20.988 27.249 1.00 0.00 H new ATOM 392 N PRO A 25 48.456 26.456 22.792 1.00 0.00 N ATOM 393 CA PRO A 25 47.712 27.639 22.472 1.00 0.00 C ATOM 394 C PRO A 25 46.597 27.348 21.528 1.00 0.00 C ATOM 395 O PRO A 25 45.797 28.227 21.209 1.00 0.00 O ATOM 396 CB PRO A 25 48.744 28.557 21.822 1.00 0.00 C ATOM 397 CG PRO A 25 49.670 27.580 21.081 1.00 0.00 C ATOM 398 CD PRO A 25 49.707 26.389 22.052 1.00 0.00 C ATOM 0 HA PRO A 25 47.242 28.080 23.351 1.00 0.00 H new ATOM 0 HB2 PRO A 25 48.277 29.266 21.138 1.00 0.00 H new ATOM 0 HB3 PRO A 25 49.287 29.141 22.565 1.00 0.00 H new ATOM 0 HG2 PRO A 25 49.273 27.300 20.105 1.00 0.00 H new ATOM 0 HG3 PRO A 25 50.661 28.002 20.913 1.00 0.00 H new ATOM 0 HD2 PRO A 25 49.795 25.445 21.513 1.00 0.00 H new ATOM 0 HD3 PRO A 25 50.564 26.455 22.722 1.00 0.00 H new ATOM 406 N GLU A 26 46.492 26.089 21.068 1.00 0.00 N ATOM 407 CA GLU A 26 45.358 25.549 20.383 1.00 0.00 C ATOM 408 C GLU A 26 44.185 25.368 21.283 1.00 0.00 C ATOM 409 O GLU A 26 43.045 25.335 20.824 1.00 0.00 O ATOM 410 CB GLU A 26 45.748 24.287 19.595 1.00 0.00 C ATOM 411 CG GLU A 26 46.335 23.111 20.378 1.00 0.00 C ATOM 412 CD GLU A 26 46.881 22.032 19.453 1.00 0.00 C ATOM 413 OE1 GLU A 26 46.825 22.181 18.203 1.00 0.00 O ATOM 414 OE2 GLU A 26 47.391 21.003 19.971 1.00 0.00 O ATOM 0 H GLU A 26 47.243 25.408 21.181 1.00 0.00 H new ATOM 0 HA GLU A 26 45.024 26.279 19.645 1.00 0.00 H new ATOM 0 HB2 GLU A 26 44.861 23.931 19.071 1.00 0.00 H new ATOM 0 HB3 GLU A 26 46.472 24.578 18.834 1.00 0.00 H new ATOM 0 HG2 GLU A 26 47.133 23.470 21.029 1.00 0.00 H new ATOM 0 HG3 GLU A 26 45.566 22.683 21.022 1.00 0.00 H new ATOM 421 N ILE A 27 44.396 25.341 22.611 1.00 0.00 N ATOM 422 CA ILE A 27 43.370 25.413 23.605 1.00 0.00 C ATOM 423 C ILE A 27 42.820 26.797 23.577 1.00 0.00 C ATOM 424 O ILE A 27 41.623 26.958 23.345 1.00 0.00 O ATOM 425 CB ILE A 27 43.802 25.108 25.009 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.504 23.763 25.266 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.562 25.093 25.919 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.539 22.780 24.099 1.00 0.00 C ATOM 0 H ILE A 27 45.331 25.265 23.012 1.00 0.00 H new ATOM 0 HA ILE A 27 42.643 24.641 23.351 1.00 0.00 H new ATOM 0 HB ILE A 27 44.534 25.889 25.212 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.530 23.967 25.572 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.011 23.276 26.108 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.865 24.872 26.943 1.00 0.00 H new ATOM 0 HG22 ILE A 27 42.075 26.068 25.887 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.866 24.328 25.573 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.059 21.872 24.404 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.520 22.532 23.801 1.00 0.00 H new ATOM 0 HD13 ILE A 27 45.063 23.233 23.257 1.00 0.00 H new ATOM 440 N TYR A 28 43.669 27.827 23.744 1.00 0.00 N ATOM 441 CA TYR A 28 43.310 29.209 23.821 1.00 0.00 C ATOM 442 C TYR A 28 42.396 29.669 22.738 1.00 0.00 C ATOM 443 O TYR A 28 41.321 30.202 23.006 1.00 0.00 O ATOM 444 CB TYR A 28 44.568 30.090 23.908 1.00 0.00 C ATOM 445 CG TYR A 28 44.240 31.459 24.397 1.00 0.00 C ATOM 446 CD1 TYR A 28 44.136 31.699 25.747 1.00 0.00 C ATOM 447 CD2 TYR A 28 43.983 32.477 23.511 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.775 32.942 26.211 1.00 0.00 C ATOM 449 CE2 TYR A 28 43.611 33.722 23.965 1.00 0.00 C ATOM 450 CZ TYR A 28 43.508 33.952 25.317 1.00 0.00 C ATOM 451 OH TYR A 28 43.140 35.232 25.782 1.00 0.00 O ATOM 0 H TYR A 28 44.675 27.683 23.831 1.00 0.00 H new ATOM 0 HA TYR A 28 42.733 29.317 24.739 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.293 29.627 24.577 1.00 0.00 H new ATOM 0 HB3 TYR A 28 45.037 30.155 22.926 1.00 0.00 H new ATOM 0 HD1 TYR A 28 44.340 30.904 26.449 1.00 0.00 H new ATOM 0 HD2 TYR A 28 44.074 32.299 22.450 1.00 0.00 H new ATOM 0 HE1 TYR A 28 43.701 33.124 27.273 1.00 0.00 H new ATOM 0 HE2 TYR A 28 43.401 34.515 23.262 1.00 0.00 H new ATOM 0 HH TYR A 28 42.988 35.827 25.018 1.00 0.00 H new ATOM 461 N ARG A 29 42.747 29.413 21.465 1.00 0.00 N ATOM 462 CA ARG A 29 41.918 29.692 20.332 1.00 0.00 C ATOM 463 C ARG A 29 40.594 29.011 20.352 1.00 0.00 C ATOM 464 O ARG A 29 39.555 29.610 20.076 1.00 0.00 O ATOM 465 CB ARG A 29 42.701 29.287 19.072 1.00 0.00 C ATOM 466 CG ARG A 29 42.488 30.168 17.840 1.00 0.00 C ATOM 467 CD ARG A 29 41.084 30.171 17.230 1.00 0.00 C ATOM 468 NE ARG A 29 41.174 30.751 15.861 1.00 0.00 N ATOM 469 CZ ARG A 29 41.334 32.079 15.586 1.00 0.00 C ATOM 470 NH1 ARG A 29 41.274 33.057 16.537 1.00 0.00 N ATOM 471 NH2 ARG A 29 41.553 32.473 14.298 1.00 0.00 N ATOM 0 H ARG A 29 43.643 28.995 21.214 1.00 0.00 H new ATOM 0 HA ARG A 29 41.686 30.757 20.349 1.00 0.00 H new ATOM 0 HB2 ARG A 29 43.764 29.285 19.314 1.00 0.00 H new ATOM 0 HB3 ARG A 29 42.431 28.263 18.813 1.00 0.00 H new ATOM 0 HG2 ARG A 29 42.745 31.193 18.107 1.00 0.00 H new ATOM 0 HG3 ARG A 29 43.192 29.852 17.070 1.00 0.00 H new ATOM 0 HD2 ARG A 29 40.685 29.157 17.188 1.00 0.00 H new ATOM 0 HD3 ARG A 29 40.402 30.756 17.847 1.00 0.00 H new ATOM 0 HE ARG A 29 41.112 30.109 15.071 1.00 0.00 H new ATOM 0 HH11 ARG A 29 41.102 32.811 17.512 1.00 0.00 H new ATOM 0 HH12 ARG A 29 41.401 34.034 16.273 1.00 0.00 H new ATOM 0 HH21 ARG A 29 41.596 31.778 13.552 1.00 0.00 H new ATOM 0 HH22 ARG A 29 41.674 33.462 14.081 1.00 0.00 H new ATOM 485 N SER A 30 40.571 27.704 20.667 1.00 0.00 N ATOM 486 CA SER A 30 39.420 26.867 20.530 1.00 0.00 C ATOM 487 C SER A 30 38.457 27.001 21.660 1.00 0.00 C ATOM 488 O SER A 30 37.244 26.922 21.467 1.00 0.00 O ATOM 489 CB SER A 30 39.834 25.393 20.385 1.00 0.00 C ATOM 490 OG SER A 30 40.785 25.237 19.342 1.00 0.00 O ATOM 0 H SER A 30 41.386 27.211 21.031 1.00 0.00 H new ATOM 0 HA SER A 30 38.911 27.204 19.627 1.00 0.00 H new ATOM 0 HB2 SER A 30 40.255 25.035 21.324 1.00 0.00 H new ATOM 0 HB3 SER A 30 38.955 24.783 20.177 1.00 0.00 H new ATOM 0 HG SER A 30 41.679 25.124 19.728 1.00 0.00 H new ATOM 496 N PHE A 31 38.970 27.237 22.881 1.00 0.00 N ATOM 497 CA PHE A 31 38.278 27.561 24.089 1.00 0.00 C ATOM 498 C PHE A 31 37.234 28.610 23.915 1.00 0.00 C ATOM 499 O PHE A 31 36.054 28.415 24.205 1.00 0.00 O ATOM 500 CB PHE A 31 39.350 27.990 25.105 1.00 0.00 C ATOM 501 CG PHE A 31 38.892 28.589 26.390 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.824 28.066 27.079 1.00 0.00 C ATOM 503 CD2 PHE A 31 39.541 29.686 26.906 1.00 0.00 C ATOM 504 CE1 PHE A 31 37.369 28.663 28.232 1.00 0.00 C ATOM 505 CE2 PHE A 31 39.092 30.294 28.055 1.00 0.00 C ATOM 506 CZ PHE A 31 38.002 29.783 28.719 1.00 0.00 C ATOM 0 H PHE A 31 39.978 27.195 23.034 1.00 0.00 H new ATOM 0 HA PHE A 31 37.724 26.689 24.436 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.956 27.115 25.341 1.00 0.00 H new ATOM 0 HB3 PHE A 31 40.006 28.710 24.615 1.00 0.00 H new ATOM 0 HD1 PHE A 31 37.336 27.176 26.711 1.00 0.00 H new ATOM 0 HD2 PHE A 31 40.414 30.075 26.403 1.00 0.00 H new ATOM 0 HE1 PHE A 31 36.517 28.253 28.754 1.00 0.00 H new ATOM 0 HE2 PHE A 31 39.595 31.171 28.435 1.00 0.00 H new ATOM 0 HZ PHE A 31 37.644 30.259 29.620 1.00 0.00 H new ATOM 516 N LEU A 32 37.630 29.788 23.401 1.00 0.00 N ATOM 517 CA LEU A 32 36.773 30.925 23.263 1.00 0.00 C ATOM 518 C LEU A 32 35.772 30.747 22.174 1.00 0.00 C ATOM 519 O LEU A 32 34.635 31.203 22.278 1.00 0.00 O ATOM 520 CB LEU A 32 37.524 32.215 22.895 1.00 0.00 C ATOM 521 CG LEU A 32 38.947 32.327 23.469 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.801 33.198 22.531 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.961 32.775 24.940 1.00 0.00 C ATOM 0 H LEU A 32 38.580 29.955 23.070 1.00 0.00 H new ATOM 0 HA LEU A 32 36.306 31.009 24.244 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.580 32.287 21.809 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.941 33.068 23.241 1.00 0.00 H new ATOM 0 HG LEU A 32 39.402 31.337 23.502 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.811 33.282 22.932 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.839 32.739 21.543 1.00 0.00 H new ATOM 0 HD13 LEU A 32 39.358 34.191 22.453 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.991 32.837 25.292 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.489 33.754 25.027 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.413 32.053 25.546 1.00 0.00 H new ATOM 535 N GLU A 33 36.181 30.094 21.071 1.00 0.00 N ATOM 536 CA GLU A 33 35.333 29.717 19.983 1.00 0.00 C ATOM 537 C GLU A 33 34.103 28.962 20.353 1.00 0.00 C ATOM 538 O GLU A 33 33.010 29.236 19.861 1.00 0.00 O ATOM 539 CB GLU A 33 36.154 28.977 18.914 1.00 0.00 C ATOM 540 CG GLU A 33 35.420 29.039 17.573 1.00 0.00 C ATOM 541 CD GLU A 33 36.214 28.530 16.379 1.00 0.00 C ATOM 542 OE1 GLU A 33 37.213 29.188 15.985 1.00 0.00 O ATOM 543 OE2 GLU A 33 35.812 27.489 15.792 1.00 0.00 O ATOM 0 H GLU A 33 37.152 29.815 20.932 1.00 0.00 H new ATOM 0 HA GLU A 33 34.944 30.651 19.578 1.00 0.00 H new ATOM 0 HB2 GLU A 33 37.142 29.429 18.821 1.00 0.00 H new ATOM 0 HB3 GLU A 33 36.305 27.939 19.210 1.00 0.00 H new ATOM 0 HG2 GLU A 33 34.501 28.459 17.652 1.00 0.00 H new ATOM 0 HG3 GLU A 33 35.129 30.072 17.383 1.00 0.00 H new ATOM 550 N ILE A 34 34.209 28.026 21.313 1.00 0.00 N ATOM 551 CA ILE A 34 33.120 27.347 21.945 1.00 0.00 C ATOM 552 C ILE A 34 32.210 28.296 22.647 1.00 0.00 C ATOM 553 O ILE A 34 30.996 28.265 22.449 1.00 0.00 O ATOM 554 CB ILE A 34 33.679 26.283 22.842 1.00 0.00 C ATOM 555 CG1 ILE A 34 34.366 25.172 22.029 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.595 25.678 23.751 1.00 0.00 C ATOM 557 CD1 ILE A 34 35.344 24.338 22.854 1.00 0.00 C ATOM 0 H ILE A 34 35.115 27.724 21.671 1.00 0.00 H new ATOM 0 HA ILE A 34 32.493 26.866 21.194 1.00 0.00 H new ATOM 0 HB ILE A 34 34.425 26.763 23.476 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.605 24.516 21.608 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.899 25.621 21.191 1.00 0.00 H new ATOM 0 HG21 ILE A 34 33.039 24.911 24.386 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.165 26.461 24.375 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.812 25.232 23.137 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.794 23.573 22.221 1.00 0.00 H new ATOM 0 HD12 ILE A 34 36.126 24.984 23.254 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.811 23.861 23.677 1.00 0.00 H new ATOM 569 N LEU A 35 32.720 29.241 23.456 1.00 0.00 N ATOM 570 CA LEU A 35 31.897 30.222 24.094 1.00 0.00 C ATOM 571 C LEU A 35 31.329 31.257 23.185 1.00 0.00 C ATOM 572 O LEU A 35 30.345 31.927 23.492 1.00 0.00 O ATOM 573 CB LEU A 35 32.655 30.978 25.196 1.00 0.00 C ATOM 574 CG LEU A 35 33.684 30.190 26.025 1.00 0.00 C ATOM 575 CD1 LEU A 35 33.906 31.020 27.301 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.300 28.804 26.570 1.00 0.00 C ATOM 0 H LEU A 35 33.714 29.326 23.670 1.00 0.00 H new ATOM 0 HA LEU A 35 31.079 29.626 24.497 1.00 0.00 H new ATOM 0 HB2 LEU A 35 33.171 31.819 24.732 1.00 0.00 H new ATOM 0 HB3 LEU A 35 31.919 31.395 25.883 1.00 0.00 H new ATOM 0 HG LEU A 35 34.512 30.029 25.335 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.631 30.517 27.941 1.00 0.00 H new ATOM 0 HD12 LEU A 35 34.283 32.007 27.032 1.00 0.00 H new ATOM 0 HD13 LEU A 35 32.962 31.126 27.835 1.00 0.00 H new ATOM 0 HD21 LEU A 35 34.138 28.388 27.130 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.435 28.898 27.227 1.00 0.00 H new ATOM 0 HD23 LEU A 35 33.054 28.142 25.740 1.00 0.00 H new ATOM 588 N HIS A 36 31.925 31.474 21.998 1.00 0.00 N ATOM 589 CA HIS A 36 31.409 32.350 20.992 1.00 0.00 C ATOM 590 C HIS A 36 30.263 31.742 20.260 1.00 0.00 C ATOM 591 O HIS A 36 29.330 32.457 19.899 1.00 0.00 O ATOM 592 CB HIS A 36 32.479 32.815 19.990 1.00 0.00 C ATOM 593 CG HIS A 36 33.276 33.983 20.492 1.00 0.00 C ATOM 594 ND1 HIS A 36 32.809 35.267 20.398 1.00 0.00 N ATOM 595 CD2 HIS A 36 34.509 34.059 21.062 1.00 0.00 C ATOM 596 CE1 HIS A 36 33.716 36.096 20.881 1.00 0.00 C ATOM 597 NE2 HIS A 36 34.752 35.389 21.292 1.00 0.00 N ATOM 0 H HIS A 36 32.799 31.022 21.729 1.00 0.00 H new ATOM 0 HA HIS A 36 31.057 33.230 21.531 1.00 0.00 H new ATOM 0 HB2 HIS A 36 33.153 31.986 19.775 1.00 0.00 H new ATOM 0 HB3 HIS A 36 31.997 33.086 19.051 1.00 0.00 H new ATOM 0 HD2 HIS A 36 35.167 33.234 21.289 1.00 0.00 H new ATOM 0 HE1 HIS A 36 33.625 37.171 20.931 1.00 0.00 H new ATOM 0 HE2 HIS A 36 35.599 35.771 21.714 1.00 0.00 H new ATOM 606 N THR A 37 30.234 30.406 20.106 1.00 0.00 N ATOM 607 CA THR A 37 29.121 29.636 19.646 1.00 0.00 C ATOM 608 C THR A 37 27.862 29.925 20.390 1.00 0.00 C ATOM 609 O THR A 37 26.762 29.933 19.840 1.00 0.00 O ATOM 610 CB THR A 37 29.433 28.170 19.580 1.00 0.00 C ATOM 611 OG1 THR A 37 29.442 27.718 18.234 1.00 0.00 O ATOM 612 CG2 THR A 37 28.460 27.241 20.325 1.00 0.00 C ATOM 0 H THR A 37 31.045 29.825 20.318 1.00 0.00 H new ATOM 0 HA THR A 37 28.934 29.958 18.622 1.00 0.00 H new ATOM 0 HB THR A 37 30.405 28.106 20.069 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.649 26.760 18.212 1.00 0.00 H new ATOM 0 HG21 THR A 37 28.784 26.207 20.209 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.448 27.501 21.384 1.00 0.00 H new ATOM 0 HG23 THR A 37 27.458 27.356 19.911 1.00 0.00 H new ATOM 620 N TYR A 38 28.003 30.245 21.689 1.00 0.00 N ATOM 621 CA TYR A 38 26.969 30.743 22.541 1.00 0.00 C ATOM 622 C TYR A 38 26.707 32.197 22.351 1.00 0.00 C ATOM 623 O TYR A 38 25.615 32.613 21.966 1.00 0.00 O ATOM 624 CB TYR A 38 27.499 30.447 23.955 1.00 0.00 C ATOM 625 CG TYR A 38 26.681 30.760 25.161 1.00 0.00 C ATOM 626 CD1 TYR A 38 25.414 31.292 25.160 1.00 0.00 C ATOM 627 CD2 TYR A 38 27.320 30.535 26.358 1.00 0.00 C ATOM 628 CE1 TYR A 38 24.814 31.635 26.349 1.00 0.00 C ATOM 629 CE2 TYR A 38 26.720 30.860 27.551 1.00 0.00 C ATOM 630 CZ TYR A 38 25.454 31.394 27.541 1.00 0.00 C ATOM 631 OH TYR A 38 24.777 31.623 28.758 1.00 0.00 O ATOM 0 H TYR A 38 28.896 30.149 22.173 1.00 0.00 H new ATOM 0 HA TYR A 38 26.008 30.274 22.331 1.00 0.00 H new ATOM 0 HB2 TYR A 38 27.730 29.383 23.993 1.00 0.00 H new ATOM 0 HB3 TYR A 38 28.443 30.982 24.061 1.00 0.00 H new ATOM 0 HD1 TYR A 38 24.890 31.440 24.227 1.00 0.00 H new ATOM 0 HD2 TYR A 38 28.307 30.097 26.360 1.00 0.00 H new ATOM 0 HE1 TYR A 38 23.837 32.095 26.346 1.00 0.00 H new ATOM 0 HE2 TYR A 38 27.237 30.698 28.485 1.00 0.00 H new ATOM 0 HH TYR A 38 24.315 30.804 29.034 1.00 0.00 H new ATOM 641 N GLN A 39 27.702 33.056 22.636 1.00 0.00 N ATOM 642 CA GLN A 39 27.447 34.447 22.846 1.00 0.00 C ATOM 643 C GLN A 39 27.186 35.274 21.635 1.00 0.00 C ATOM 644 O GLN A 39 26.629 36.365 21.753 1.00 0.00 O ATOM 645 CB GLN A 39 28.539 35.030 23.759 1.00 0.00 C ATOM 646 CG GLN A 39 29.874 35.381 23.099 1.00 0.00 C ATOM 647 CD GLN A 39 30.124 36.842 22.753 1.00 0.00 C ATOM 648 OE1 GLN A 39 31.261 37.226 22.487 1.00 0.00 O ATOM 649 NE2 GLN A 39 29.070 37.701 22.728 1.00 0.00 N ATOM 0 H GLN A 39 28.682 32.787 22.721 1.00 0.00 H new ATOM 0 HA GLN A 39 26.479 34.500 23.344 1.00 0.00 H new ATOM 0 HB2 GLN A 39 28.144 35.931 24.228 1.00 0.00 H new ATOM 0 HB3 GLN A 39 28.733 34.314 24.558 1.00 0.00 H new ATOM 0 HG2 GLN A 39 30.674 35.051 23.762 1.00 0.00 H new ATOM 0 HG3 GLN A 39 29.959 34.799 22.182 1.00 0.00 H new ATOM 0 HE21 GLN A 39 28.133 37.365 22.951 1.00 0.00 H new ATOM 0 HE22 GLN A 39 29.216 38.681 22.486 1.00 0.00 H new ATOM 898 N SER A 54 22.480 24.592 25.183 1.00 0.00 N ATOM 899 CA SER A 54 22.823 24.098 26.479 1.00 0.00 C ATOM 900 C SER A 54 24.029 24.808 26.993 1.00 0.00 C ATOM 901 O SER A 54 25.123 24.676 26.447 1.00 0.00 O ATOM 902 CB SER A 54 23.130 22.591 26.510 1.00 0.00 C ATOM 903 OG SER A 54 21.946 21.809 26.546 1.00 0.00 O ATOM 0 HA SER A 54 21.945 24.278 27.099 1.00 0.00 H new ATOM 0 HB2 SER A 54 23.716 22.322 25.631 1.00 0.00 H new ATOM 0 HB3 SER A 54 23.742 22.363 27.383 1.00 0.00 H new ATOM 0 HG SER A 54 22.182 20.858 26.563 1.00 0.00 H new ATOM 909 N GLU A 55 23.914 25.538 28.116 1.00 0.00 N ATOM 910 CA GLU A 55 25.005 26.058 28.881 1.00 0.00 C ATOM 911 C GLU A 55 25.912 24.965 29.333 1.00 0.00 C ATOM 912 O GLU A 55 27.137 25.084 29.356 1.00 0.00 O ATOM 913 CB GLU A 55 24.557 26.906 30.084 1.00 0.00 C ATOM 914 CG GLU A 55 23.121 27.433 30.100 1.00 0.00 C ATOM 915 CD GLU A 55 22.710 28.331 28.943 1.00 0.00 C ATOM 916 OE1 GLU A 55 23.203 29.485 28.824 1.00 0.00 O ATOM 917 OE2 GLU A 55 21.795 27.901 28.191 1.00 0.00 O ATOM 0 H GLU A 55 23.006 25.779 28.513 1.00 0.00 H new ATOM 0 HA GLU A 55 25.548 26.723 28.210 1.00 0.00 H new ATOM 0 HB2 GLU A 55 24.703 26.310 30.985 1.00 0.00 H new ATOM 0 HB3 GLU A 55 25.227 27.763 30.156 1.00 0.00 H new ATOM 0 HG2 GLU A 55 22.445 26.578 30.124 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.971 27.984 31.028 1.00 0.00 H new ATOM 924 N GLU A 56 25.342 23.780 29.609 1.00 0.00 N ATOM 925 CA GLU A 56 26.039 22.543 29.777 1.00 0.00 C ATOM 926 C GLU A 56 26.946 22.124 28.672 1.00 0.00 C ATOM 927 O GLU A 56 27.898 21.391 28.936 1.00 0.00 O ATOM 928 CB GLU A 56 25.028 21.400 29.975 1.00 0.00 C ATOM 929 CG GLU A 56 24.253 21.439 31.294 1.00 0.00 C ATOM 930 CD GLU A 56 25.117 21.078 32.493 1.00 0.00 C ATOM 931 OE1 GLU A 56 25.706 19.964 32.510 1.00 0.00 O ATOM 932 OE2 GLU A 56 25.155 21.886 33.460 1.00 0.00 O ATOM 0 H GLU A 56 24.333 23.679 29.722 1.00 0.00 H new ATOM 0 HA GLU A 56 26.674 22.731 30.643 1.00 0.00 H new ATOM 0 HB2 GLU A 56 24.314 21.421 29.152 1.00 0.00 H new ATOM 0 HB3 GLU A 56 25.560 20.451 29.912 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.838 22.437 31.438 1.00 0.00 H new ATOM 0 HG3 GLU A 56 23.411 20.749 31.237 1.00 0.00 H new ATOM 939 N GLU A 57 26.729 22.519 27.406 1.00 0.00 N ATOM 940 CA GLU A 57 27.502 22.032 26.306 1.00 0.00 C ATOM 941 C GLU A 57 28.752 22.831 26.168 1.00 0.00 C ATOM 942 O GLU A 57 29.817 22.338 25.800 1.00 0.00 O ATOM 943 CB GLU A 57 26.802 21.917 24.941 1.00 0.00 C ATOM 944 CG GLU A 57 27.029 23.059 23.948 1.00 0.00 C ATOM 945 CD GLU A 57 26.344 22.790 22.616 1.00 0.00 C ATOM 946 OE1 GLU A 57 25.133 22.446 22.601 1.00 0.00 O ATOM 947 OE2 GLU A 57 27.018 22.908 21.558 1.00 0.00 O ATOM 0 H GLU A 57 26.005 23.187 27.141 1.00 0.00 H new ATOM 0 HA GLU A 57 27.704 20.996 26.578 1.00 0.00 H new ATOM 0 HB2 GLU A 57 27.127 20.989 24.471 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.730 21.828 25.116 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.650 23.990 24.371 1.00 0.00 H new ATOM 0 HG3 GLU A 57 28.099 23.194 23.787 1.00 0.00 H new ATOM 954 N VAL A 58 28.661 24.135 26.484 1.00 0.00 N ATOM 955 CA VAL A 58 29.752 25.053 26.380 1.00 0.00 C ATOM 956 C VAL A 58 30.802 24.710 27.379 1.00 0.00 C ATOM 957 O VAL A 58 31.998 24.653 27.095 1.00 0.00 O ATOM 958 CB VAL A 58 29.196 26.447 26.386 1.00 0.00 C ATOM 959 CG1 VAL A 58 29.242 27.140 27.757 1.00 0.00 C ATOM 960 CG2 VAL A 58 30.017 27.301 25.405 1.00 0.00 C ATOM 0 H VAL A 58 27.800 24.564 26.823 1.00 0.00 H new ATOM 0 HA VAL A 58 30.293 24.982 25.436 1.00 0.00 H new ATOM 0 HB VAL A 58 28.146 26.360 26.105 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.821 28.142 27.672 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.662 26.562 28.476 1.00 0.00 H new ATOM 0 HG13 VAL A 58 30.276 27.208 28.096 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.628 28.319 25.395 1.00 0.00 H new ATOM 0 HG22 VAL A 58 31.061 27.315 25.720 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.945 26.875 24.404 1.00 0.00 H new ATOM 970 N PHE A 59 30.324 24.306 28.570 1.00 0.00 N ATOM 971 CA PHE A 59 31.025 23.593 29.593 1.00 0.00 C ATOM 972 C PHE A 59 31.616 22.304 29.135 1.00 0.00 C ATOM 973 O PHE A 59 32.812 22.077 29.305 1.00 0.00 O ATOM 974 CB PHE A 59 30.051 23.400 30.767 1.00 0.00 C ATOM 975 CG PHE A 59 30.620 22.756 31.985 1.00 0.00 C ATOM 976 CD1 PHE A 59 31.286 23.504 32.927 1.00 0.00 C ATOM 977 CD2 PHE A 59 30.422 21.416 32.221 1.00 0.00 C ATOM 978 CE1 PHE A 59 31.757 22.925 34.082 1.00 0.00 C ATOM 979 CE2 PHE A 59 30.886 20.826 33.372 1.00 0.00 C ATOM 980 CZ PHE A 59 31.561 21.581 34.302 1.00 0.00 C ATOM 0 H PHE A 59 29.359 24.497 28.839 1.00 0.00 H new ATOM 0 HA PHE A 59 31.891 24.179 29.901 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.653 24.375 31.047 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.210 22.799 30.421 1.00 0.00 H new ATOM 0 HD1 PHE A 59 31.441 24.559 32.758 1.00 0.00 H new ATOM 0 HD2 PHE A 59 29.895 20.819 31.492 1.00 0.00 H new ATOM 0 HE1 PHE A 59 32.279 23.523 34.814 1.00 0.00 H new ATOM 0 HE2 PHE A 59 30.721 19.773 33.546 1.00 0.00 H new ATOM 0 HZ PHE A 59 31.937 21.120 35.204 1.00 0.00 H new ATOM 990 N THR A 60 30.829 21.406 28.517 1.00 0.00 N ATOM 991 CA THR A 60 31.246 20.134 28.012 1.00 0.00 C ATOM 992 C THR A 60 32.348 20.175 27.011 1.00 0.00 C ATOM 993 O THR A 60 33.288 19.382 27.047 1.00 0.00 O ATOM 994 CB THR A 60 30.112 19.271 27.544 1.00 0.00 C ATOM 995 OG1 THR A 60 30.201 17.970 28.106 1.00 0.00 O ATOM 996 CG2 THR A 60 29.995 19.056 26.026 1.00 0.00 C ATOM 0 H THR A 60 29.836 21.580 28.360 1.00 0.00 H new ATOM 0 HA THR A 60 31.675 19.658 28.893 1.00 0.00 H new ATOM 0 HB THR A 60 29.239 19.836 27.872 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.451 17.425 27.789 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.138 18.416 25.814 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.860 20.018 25.532 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.903 18.581 25.655 1.00 0.00 H new ATOM 1004 N GLU A 61 32.293 21.135 26.071 1.00 0.00 N ATOM 1005 CA GLU A 61 33.262 21.298 25.031 1.00 0.00 C ATOM 1006 C GLU A 61 34.565 21.784 25.566 1.00 0.00 C ATOM 1007 O GLU A 61 35.593 21.175 25.278 1.00 0.00 O ATOM 1008 CB GLU A 61 32.675 22.134 23.881 1.00 0.00 C ATOM 1009 CG GLU A 61 31.685 21.378 22.993 1.00 0.00 C ATOM 1010 CD GLU A 61 32.381 20.373 22.088 1.00 0.00 C ATOM 1011 OE1 GLU A 61 32.715 19.247 22.545 1.00 0.00 O ATOM 1012 OE2 GLU A 61 32.598 20.702 20.891 1.00 0.00 O ATOM 0 H GLU A 61 31.543 21.826 26.034 1.00 0.00 H new ATOM 0 HA GLU A 61 33.499 20.327 24.596 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.175 23.007 24.301 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.493 22.502 23.261 1.00 0.00 H new ATOM 0 HG2 GLU A 61 30.959 20.859 23.620 1.00 0.00 H new ATOM 0 HG3 GLU A 61 31.129 22.090 22.383 1.00 0.00 H new ATOM 1019 N VAL A 62 34.581 22.806 26.441 1.00 0.00 N ATOM 1020 CA VAL A 62 35.720 23.301 27.149 1.00 0.00 C ATOM 1021 C VAL A 62 36.456 22.264 27.927 1.00 0.00 C ATOM 1022 O VAL A 62 37.682 22.272 28.027 1.00 0.00 O ATOM 1023 CB VAL A 62 35.263 24.379 28.087 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.300 24.805 29.142 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.911 25.590 27.206 1.00 0.00 C ATOM 0 H VAL A 62 33.733 23.324 26.669 1.00 0.00 H new ATOM 0 HA VAL A 62 36.419 23.673 26.400 1.00 0.00 H new ATOM 0 HB VAL A 62 34.422 23.991 28.662 1.00 0.00 H new ATOM 0 HG11 VAL A 62 35.878 25.588 29.772 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.565 23.946 29.759 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.192 25.183 28.643 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.570 26.411 27.836 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.794 25.903 26.648 1.00 0.00 H new ATOM 0 HG23 VAL A 62 34.120 25.315 26.509 1.00 0.00 H new ATOM 1035 N ALA A 63 35.697 21.291 28.460 1.00 0.00 N ATOM 1036 CA ALA A 63 36.148 20.239 29.317 1.00 0.00 C ATOM 1037 C ALA A 63 37.070 19.296 28.626 1.00 0.00 C ATOM 1038 O ALA A 63 37.957 18.717 29.252 1.00 0.00 O ATOM 1039 CB ALA A 63 34.970 19.398 29.837 1.00 0.00 C ATOM 0 H ALA A 63 34.695 21.236 28.278 1.00 0.00 H new ATOM 0 HA ALA A 63 36.668 20.739 30.134 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.346 18.607 30.486 1.00 0.00 H new ATOM 0 HB2 ALA A 63 34.288 20.036 30.400 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.439 18.955 28.994 1.00 0.00 H new ATOM 1045 N ASN A 64 36.911 19.124 27.301 1.00 0.00 N ATOM 1046 CA ASN A 64 37.778 18.252 26.571 1.00 0.00 C ATOM 1047 C ASN A 64 39.136 18.853 26.455 1.00 0.00 C ATOM 1048 O ASN A 64 40.155 18.169 26.541 1.00 0.00 O ATOM 1049 CB ASN A 64 37.366 17.931 25.124 1.00 0.00 C ATOM 1050 CG ASN A 64 35.872 17.685 24.969 1.00 0.00 C ATOM 1051 OD1 ASN A 64 35.261 16.777 25.531 1.00 0.00 O ATOM 1052 ND2 ASN A 64 35.276 18.561 24.116 1.00 0.00 N ATOM 0 H ASN A 64 36.192 19.582 26.741 1.00 0.00 H new ATOM 0 HA ASN A 64 37.735 17.331 27.152 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.661 18.757 24.477 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.910 17.050 24.785 1.00 0.00 H new ATOM 0 HD21 ASN A 64 34.279 18.481 23.918 1.00 0.00 H new ATOM 0 HD22 ASN A 64 35.826 19.298 23.675 1.00 0.00 H new ATOM 1059 N LEU A 65 39.189 20.182 26.252 1.00 0.00 N ATOM 1060 CA LEU A 65 40.414 20.890 26.045 1.00 0.00 C ATOM 1061 C LEU A 65 41.159 21.122 27.314 1.00 0.00 C ATOM 1062 O LEU A 65 42.353 21.416 27.311 1.00 0.00 O ATOM 1063 CB LEU A 65 40.276 22.229 25.302 1.00 0.00 C ATOM 1064 CG LEU A 65 39.364 22.197 24.064 1.00 0.00 C ATOM 1065 CD1 LEU A 65 37.951 22.643 24.477 1.00 0.00 C ATOM 1066 CD2 LEU A 65 39.916 23.128 22.972 1.00 0.00 C ATOM 0 H LEU A 65 38.361 20.778 26.231 1.00 0.00 H new ATOM 0 HA LEU A 65 40.978 20.219 25.397 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.892 22.975 25.998 1.00 0.00 H new ATOM 0 HB3 LEU A 65 41.268 22.560 24.995 1.00 0.00 H new ATOM 0 HG LEU A 65 39.327 21.184 23.663 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.295 22.624 23.607 1.00 0.00 H new ATOM 0 HD12 LEU A 65 37.564 21.966 25.238 1.00 0.00 H new ATOM 0 HD13 LEU A 65 37.992 23.655 24.879 1.00 0.00 H new ATOM 0 HD21 LEU A 65 39.261 23.096 22.101 1.00 0.00 H new ATOM 0 HD22 LEU A 65 39.963 24.148 23.353 1.00 0.00 H new ATOM 0 HD23 LEU A 65 40.916 22.801 22.686 1.00 0.00 H new ATOM 1078 N PHE A 66 40.459 21.057 28.461 1.00 0.00 N ATOM 1079 CA PHE A 66 41.001 21.355 29.751 1.00 0.00 C ATOM 1080 C PHE A 66 41.281 20.107 30.514 1.00 0.00 C ATOM 1081 O PHE A 66 41.723 20.148 31.662 1.00 0.00 O ATOM 1082 CB PHE A 66 40.050 22.253 30.560 1.00 0.00 C ATOM 1083 CG PHE A 66 40.006 23.687 30.159 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.679 24.224 29.086 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.256 24.533 30.942 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.623 25.569 28.810 1.00 0.00 C ATOM 1087 CE2 PHE A 66 39.185 25.880 30.679 1.00 0.00 C ATOM 1088 CZ PHE A 66 39.869 26.401 29.606 1.00 0.00 C ATOM 0 H PHE A 66 39.476 20.786 28.491 1.00 0.00 H new ATOM 0 HA PHE A 66 41.937 21.890 29.593 1.00 0.00 H new ATOM 0 HB2 PHE A 66 39.043 21.844 30.483 1.00 0.00 H new ATOM 0 HB3 PHE A 66 40.337 22.199 31.610 1.00 0.00 H new ATOM 0 HD1 PHE A 66 41.262 23.576 28.448 1.00 0.00 H new ATOM 0 HD2 PHE A 66 38.711 24.130 31.782 1.00 0.00 H new ATOM 0 HE1 PHE A 66 41.169 25.972 27.970 1.00 0.00 H new ATOM 0 HE2 PHE A 66 38.595 26.526 31.312 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.815 27.458 29.389 1.00 0.00 H new ATOM 1098 N ARG A 67 41.042 18.938 29.895 1.00 0.00 N ATOM 1099 CA ARG A 67 41.062 17.660 30.536 1.00 0.00 C ATOM 1100 C ARG A 67 42.336 17.269 31.206 1.00 0.00 C ATOM 1101 O ARG A 67 43.403 17.177 30.602 1.00 0.00 O ATOM 1102 CB ARG A 67 40.657 16.586 29.512 1.00 0.00 C ATOM 1103 CG ARG A 67 40.060 15.347 30.181 1.00 0.00 C ATOM 1104 CD ARG A 67 39.920 14.084 29.329 1.00 0.00 C ATOM 1105 NE ARG A 67 39.053 14.375 28.152 1.00 0.00 N ATOM 1106 CZ ARG A 67 37.689 14.417 28.176 1.00 0.00 C ATOM 1107 NH1 ARG A 67 36.941 14.290 29.310 1.00 0.00 N ATOM 1108 NH2 ARG A 67 37.010 14.591 27.004 1.00 0.00 N ATOM 0 H ARG A 67 40.824 18.881 28.900 1.00 0.00 H new ATOM 0 HA ARG A 67 40.350 17.742 31.357 1.00 0.00 H new ATOM 0 HB2 ARG A 67 39.932 17.006 28.815 1.00 0.00 H new ATOM 0 HB3 ARG A 67 41.530 16.296 28.927 1.00 0.00 H new ATOM 0 HG2 ARG A 67 40.675 15.102 31.047 1.00 0.00 H new ATOM 0 HG3 ARG A 67 39.071 15.611 30.557 1.00 0.00 H new ATOM 0 HD2 ARG A 67 40.901 13.745 28.997 1.00 0.00 H new ATOM 0 HD3 ARG A 67 39.488 13.278 29.922 1.00 0.00 H new ATOM 0 HE ARG A 67 39.514 14.557 27.261 1.00 0.00 H new ATOM 0 HH11 ARG A 67 37.400 14.154 30.211 1.00 0.00 H new ATOM 0 HH12 ARG A 67 35.923 14.331 29.257 1.00 0.00 H new ATOM 0 HH21 ARG A 67 37.522 14.687 26.127 1.00 0.00 H new ATOM 0 HH22 ARG A 67 35.991 14.625 27.005 1.00 0.00 H new ATOM 1122 N GLY A 68 42.237 17.024 32.524 1.00 0.00 N ATOM 1123 CA GLY A 68 43.340 16.803 33.406 1.00 0.00 C ATOM 1124 C GLY A 68 43.216 17.645 34.630 1.00 0.00 C ATOM 1125 O GLY A 68 43.560 17.204 35.725 1.00 0.00 O ATOM 0 H GLY A 68 41.336 16.978 33.001 1.00 0.00 H new ATOM 0 HA2 GLY A 68 43.382 15.750 33.686 1.00 0.00 H new ATOM 0 HA3 GLY A 68 44.274 17.034 32.893 1.00 0.00 H new ATOM 1129 N GLN A 69 42.742 18.895 34.487 1.00 0.00 N ATOM 1130 CA GLN A 69 42.614 19.831 35.561 1.00 0.00 C ATOM 1131 C GLN A 69 41.210 20.267 35.803 1.00 0.00 C ATOM 1132 O GLN A 69 40.613 21.078 35.094 1.00 0.00 O ATOM 1133 CB GLN A 69 43.583 21.009 35.373 1.00 0.00 C ATOM 1134 CG GLN A 69 43.469 21.801 34.069 1.00 0.00 C ATOM 1135 CD GLN A 69 44.465 22.952 34.042 1.00 0.00 C ATOM 1136 OE1 GLN A 69 44.710 23.630 35.039 1.00 0.00 O ATOM 1137 NE2 GLN A 69 45.070 23.209 32.852 1.00 0.00 N ATOM 0 H GLN A 69 42.436 19.269 33.589 1.00 0.00 H new ATOM 0 HA GLN A 69 42.900 19.311 36.475 1.00 0.00 H new ATOM 0 HB2 GLN A 69 43.440 21.701 36.203 1.00 0.00 H new ATOM 0 HB3 GLN A 69 44.601 20.626 35.449 1.00 0.00 H new ATOM 0 HG2 GLN A 69 43.648 21.140 33.221 1.00 0.00 H new ATOM 0 HG3 GLN A 69 42.456 22.189 33.962 1.00 0.00 H new ATOM 0 HE21 GLN A 69 44.854 22.636 32.036 1.00 0.00 H new ATOM 0 HE22 GLN A 69 45.740 23.975 32.775 1.00 0.00 H new ATOM 1146 N GLU A 70 40.602 19.761 36.890 1.00 0.00 N ATOM 1147 CA GLU A 70 39.254 20.022 37.288 1.00 0.00 C ATOM 1148 C GLU A 70 39.064 21.380 37.872 1.00 0.00 C ATOM 1149 O GLU A 70 37.956 21.913 37.913 1.00 0.00 O ATOM 1150 CB GLU A 70 38.818 19.001 38.352 1.00 0.00 C ATOM 1151 CG GLU A 70 38.868 17.533 37.923 1.00 0.00 C ATOM 1152 CD GLU A 70 37.824 17.160 36.880 1.00 0.00 C ATOM 1153 OE1 GLU A 70 36.605 17.352 37.133 1.00 0.00 O ATOM 1154 OE2 GLU A 70 38.206 16.594 35.820 1.00 0.00 O ATOM 0 H GLU A 70 41.083 19.130 37.531 1.00 0.00 H new ATOM 0 HA GLU A 70 38.655 19.949 36.381 1.00 0.00 H new ATOM 0 HB2 GLU A 70 39.452 19.126 39.230 1.00 0.00 H new ATOM 0 HB3 GLU A 70 37.799 19.236 38.659 1.00 0.00 H new ATOM 0 HG2 GLU A 70 39.859 17.314 37.525 1.00 0.00 H new ATOM 0 HG3 GLU A 70 38.731 16.903 38.802 1.00 0.00 H new ATOM 1161 N ASP A 71 40.161 21.999 38.343 1.00 0.00 N ATOM 1162 CA ASP A 71 40.234 23.230 39.067 1.00 0.00 C ATOM 1163 C ASP A 71 39.749 24.389 38.264 1.00 0.00 C ATOM 1164 O ASP A 71 39.134 25.322 38.778 1.00 0.00 O ATOM 1165 CB ASP A 71 41.691 23.363 39.539 1.00 0.00 C ATOM 1166 CG ASP A 71 41.876 24.324 40.706 1.00 0.00 C ATOM 1167 OD1 ASP A 71 41.622 25.545 40.535 1.00 0.00 O ATOM 1168 OD2 ASP A 71 42.336 23.893 41.797 1.00 0.00 O ATOM 0 H ASP A 71 41.087 21.595 38.201 1.00 0.00 H new ATOM 0 HA ASP A 71 39.567 23.227 39.929 1.00 0.00 H new ATOM 0 HB2 ASP A 71 42.060 22.379 39.829 1.00 0.00 H new ATOM 0 HB3 ASP A 71 42.304 23.700 38.703 1.00 0.00 H new ATOM 1173 N LEU A 72 39.936 24.364 36.932 1.00 0.00 N ATOM 1174 CA LEU A 72 39.378 25.344 36.052 1.00 0.00 C ATOM 1175 C LEU A 72 37.892 25.277 35.957 1.00 0.00 C ATOM 1176 O LEU A 72 37.209 26.284 36.129 1.00 0.00 O ATOM 1177 CB LEU A 72 40.001 25.238 34.651 1.00 0.00 C ATOM 1178 CG LEU A 72 41.531 25.376 34.612 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.011 25.257 33.156 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.051 26.694 35.210 1.00 0.00 C ATOM 0 H LEU A 72 40.486 23.649 36.457 1.00 0.00 H new ATOM 0 HA LEU A 72 39.622 26.312 36.488 1.00 0.00 H new ATOM 0 HB2 LEU A 72 39.726 24.276 34.219 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.565 26.009 34.016 1.00 0.00 H new ATOM 0 HG LEU A 72 41.933 24.574 35.231 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.096 25.354 33.122 1.00 0.00 H new ATOM 0 HD12 LEU A 72 41.721 24.286 32.755 1.00 0.00 H new ATOM 0 HD13 LEU A 72 41.557 26.047 32.557 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.139 26.718 35.147 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.636 27.535 34.654 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.747 26.765 36.254 1.00 0.00 H new ATOM 1192 N LEU A 73 37.293 24.097 35.716 1.00 0.00 N ATOM 1193 CA LEU A 73 35.885 23.917 35.540 1.00 0.00 C ATOM 1194 C LEU A 73 35.106 24.155 36.787 1.00 0.00 C ATOM 1195 O LEU A 73 33.915 24.463 36.772 1.00 0.00 O ATOM 1196 CB LEU A 73 35.534 22.503 35.046 1.00 0.00 C ATOM 1197 CG LEU A 73 35.912 22.169 33.594 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.311 23.148 32.571 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.432 22.013 33.416 1.00 0.00 C ATOM 0 H LEU A 73 37.817 23.225 35.640 1.00 0.00 H new ATOM 0 HA LEU A 73 35.612 24.660 34.791 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.024 21.782 35.700 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.460 22.359 35.160 1.00 0.00 H new ATOM 0 HG LEU A 73 35.459 21.200 33.383 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.616 22.856 31.566 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.224 23.126 32.641 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.667 24.157 32.780 1.00 0.00 H new ATOM 0 HD21 LEU A 73 37.654 21.777 32.375 1.00 0.00 H new ATOM 0 HD22 LEU A 73 37.928 22.944 33.691 1.00 0.00 H new ATOM 0 HD23 LEU A 73 37.792 21.207 34.055 1.00 0.00 H new ATOM 1211 N SER A 74 35.797 24.046 37.936 1.00 0.00 N ATOM 1212 CA SER A 74 35.309 24.318 39.252 1.00 0.00 C ATOM 1213 C SER A 74 34.906 25.745 39.406 1.00 0.00 C ATOM 1214 O SER A 74 33.784 26.085 39.777 1.00 0.00 O ATOM 1215 CB SER A 74 36.340 23.956 40.333 1.00 0.00 C ATOM 1216 OG SER A 74 35.764 23.977 41.631 1.00 0.00 O ATOM 0 H SER A 74 36.771 23.744 37.944 1.00 0.00 H new ATOM 0 HA SER A 74 34.430 23.688 39.387 1.00 0.00 H new ATOM 0 HB2 SER A 74 36.748 22.966 40.131 1.00 0.00 H new ATOM 0 HB3 SER A 74 37.173 24.658 40.292 1.00 0.00 H new ATOM 0 HG SER A 74 36.445 23.741 42.295 1.00 0.00 H new ATOM 1222 N GLU A 75 35.818 26.668 39.055 1.00 0.00 N ATOM 1223 CA GLU A 75 35.600 28.081 39.055 1.00 0.00 C ATOM 1224 C GLU A 75 34.771 28.562 37.914 1.00 0.00 C ATOM 1225 O GLU A 75 34.180 29.638 37.996 1.00 0.00 O ATOM 1226 CB GLU A 75 36.923 28.848 39.213 1.00 0.00 C ATOM 1227 CG GLU A 75 37.530 28.532 40.581 1.00 0.00 C ATOM 1228 CD GLU A 75 38.769 29.353 40.904 1.00 0.00 C ATOM 1229 OE1 GLU A 75 38.678 30.605 41.011 1.00 0.00 O ATOM 1230 OE2 GLU A 75 39.848 28.743 41.133 1.00 0.00 O ATOM 0 H GLU A 75 36.759 26.414 38.755 1.00 0.00 H new ATOM 0 HA GLU A 75 34.994 28.302 39.934 1.00 0.00 H new ATOM 0 HB2 GLU A 75 37.617 28.567 38.421 1.00 0.00 H new ATOM 0 HB3 GLU A 75 36.749 29.920 39.118 1.00 0.00 H new ATOM 0 HG2 GLU A 75 36.779 28.706 41.351 1.00 0.00 H new ATOM 0 HG3 GLU A 75 37.786 27.473 40.619 1.00 0.00 H new ATOM 1237 N PHE A 76 34.627 27.772 36.835 1.00 0.00 N ATOM 1238 CA PHE A 76 33.713 28.043 35.770 1.00 0.00 C ATOM 1239 C PHE A 76 32.290 28.087 36.210 1.00 0.00 C ATOM 1240 O PHE A 76 31.425 28.735 35.625 1.00 0.00 O ATOM 1241 CB PHE A 76 33.871 26.979 34.672 1.00 0.00 C ATOM 1242 CG PHE A 76 33.546 27.367 33.270 1.00 0.00 C ATOM 1243 CD1 PHE A 76 33.366 28.663 32.845 1.00 0.00 C ATOM 1244 CD2 PHE A 76 33.507 26.360 32.335 1.00 0.00 C ATOM 1245 CE1 PHE A 76 33.175 28.942 31.513 1.00 0.00 C ATOM 1246 CE2 PHE A 76 33.303 26.627 31.001 1.00 0.00 C ATOM 1247 CZ PHE A 76 33.145 27.927 30.586 1.00 0.00 C ATOM 0 H PHE A 76 35.165 26.916 36.700 1.00 0.00 H new ATOM 0 HA PHE A 76 33.960 29.034 35.391 1.00 0.00 H new ATOM 0 HB2 PHE A 76 34.903 26.630 34.691 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.242 26.129 34.938 1.00 0.00 H new ATOM 0 HD1 PHE A 76 33.375 29.468 33.565 1.00 0.00 H new ATOM 0 HD2 PHE A 76 33.639 25.337 32.655 1.00 0.00 H new ATOM 0 HE1 PHE A 76 33.048 29.965 31.192 1.00 0.00 H new ATOM 0 HE2 PHE A 76 33.267 25.820 30.284 1.00 0.00 H new ATOM 0 HZ PHE A 76 32.998 28.150 29.540 1.00 0.00 H new ATOM 1257 N GLY A 77 32.013 27.432 37.353 1.00 0.00 N ATOM 1258 CA GLY A 77 30.776 27.402 38.070 1.00 0.00 C ATOM 1259 C GLY A 77 30.223 28.718 38.497 1.00 0.00 C ATOM 1260 O GLY A 77 29.034 28.812 38.800 1.00 0.00 O ATOM 0 H GLY A 77 32.726 26.870 37.817 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.032 26.906 37.447 1.00 0.00 H new ATOM 0 HA3 GLY A 77 30.911 26.784 38.958 1.00 0.00 H new ATOM 1264 N GLN A 78 31.047 29.780 38.548 1.00 0.00 N ATOM 1265 CA GLN A 78 30.680 31.125 38.868 1.00 0.00 C ATOM 1266 C GLN A 78 29.467 31.651 38.180 1.00 0.00 C ATOM 1267 O GLN A 78 28.620 32.316 38.774 1.00 0.00 O ATOM 1268 CB GLN A 78 31.880 32.051 38.610 1.00 0.00 C ATOM 1269 CG GLN A 78 32.351 32.171 37.159 1.00 0.00 C ATOM 1270 CD GLN A 78 33.648 32.960 37.047 1.00 0.00 C ATOM 1271 OE1 GLN A 78 33.666 34.109 36.605 1.00 0.00 O ATOM 1272 NE2 GLN A 78 34.785 32.333 37.448 1.00 0.00 N ATOM 0 H GLN A 78 32.044 29.690 38.351 1.00 0.00 H new ATOM 0 HA GLN A 78 30.404 31.107 39.922 1.00 0.00 H new ATOM 0 HB2 GLN A 78 31.625 33.048 38.969 1.00 0.00 H new ATOM 0 HB3 GLN A 78 32.718 31.700 39.213 1.00 0.00 H new ATOM 0 HG2 GLN A 78 32.495 31.175 36.740 1.00 0.00 H new ATOM 0 HG3 GLN A 78 31.577 32.658 36.565 1.00 0.00 H new ATOM 0 HE21 GLN A 78 34.741 31.381 37.810 1.00 0.00 H new ATOM 0 HE22 GLN A 78 35.682 32.815 37.387 1.00 0.00 H new ATOM 1466 N ASN B 201 29.055 36.357 33.645 1.00 0.00 N ATOM 1467 CA ASN B 201 28.500 35.398 32.740 1.00 0.00 C ATOM 1468 C ASN B 201 29.515 34.860 31.790 1.00 0.00 C ATOM 1469 O ASN B 201 30.693 35.200 31.869 1.00 0.00 O ATOM 1470 CB ASN B 201 27.231 35.953 32.069 1.00 0.00 C ATOM 1471 CG ASN B 201 27.460 37.204 31.235 1.00 0.00 C ATOM 1472 OD1 ASN B 201 28.560 37.744 31.116 1.00 0.00 O ATOM 1473 ND2 ASN B 201 26.359 37.706 30.615 1.00 0.00 N ATOM 0 HA ASN B 201 28.182 34.527 33.313 1.00 0.00 H new ATOM 0 HB2 ASN B 201 26.803 35.179 31.432 1.00 0.00 H new ATOM 0 HB3 ASN B 201 26.494 36.175 32.840 1.00 0.00 H new ATOM 0 HD21 ASN B 201 26.436 38.544 30.039 1.00 0.00 H new ATOM 0 HD22 ASN B 201 25.456 37.244 30.726 1.00 0.00 H new ATOM 1480 N ILE B 202 29.139 33.977 30.847 1.00 0.00 N ATOM 1481 CA ILE B 202 30.078 33.464 29.899 1.00 0.00 C ATOM 1482 C ILE B 202 30.426 34.489 28.877 1.00 0.00 C ATOM 1483 O ILE B 202 31.587 34.577 28.482 1.00 0.00 O ATOM 1484 CB ILE B 202 29.754 32.099 29.366 1.00 0.00 C ATOM 1485 CG1 ILE B 202 30.521 31.080 30.226 1.00 0.00 C ATOM 1486 CG2 ILE B 202 30.102 31.961 27.874 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.271 29.612 29.883 1.00 0.00 C ATOM 0 H ILE B 202 28.189 33.620 30.741 1.00 0.00 H new ATOM 0 HA ILE B 202 31.000 33.265 30.445 1.00 0.00 H new ATOM 0 HB ILE B 202 28.681 31.919 29.430 1.00 0.00 H new ATOM 0 HG12 ILE B 202 31.588 31.281 30.132 1.00 0.00 H new ATOM 0 HG13 ILE B 202 30.258 31.241 31.271 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.850 30.957 27.533 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.534 32.693 27.299 1.00 0.00 H new ATOM 0 HG23 ILE B 202 31.168 32.136 27.731 1.00 0.00 H new ATOM 0 HD11 ILE B 202 30.859 28.978 30.547 1.00 0.00 H new ATOM 0 HD12 ILE B 202 29.212 29.385 30.007 1.00 0.00 H new ATOM 0 HD13 ILE B 202 30.564 29.425 28.850 1.00 0.00 H new ATOM 1499 N GLN B 203 29.489 35.372 28.486 1.00 0.00 N ATOM 1500 CA GLN B 203 29.722 36.534 27.686 1.00 0.00 C ATOM 1501 C GLN B 203 30.915 37.337 28.077 1.00 0.00 C ATOM 1502 O GLN B 203 31.711 37.753 27.237 1.00 0.00 O ATOM 1503 CB GLN B 203 28.473 37.432 27.685 1.00 0.00 C ATOM 1504 CG GLN B 203 28.537 38.665 26.782 1.00 0.00 C ATOM 1505 CD GLN B 203 27.337 39.574 27.010 1.00 0.00 C ATOM 1506 OE1 GLN B 203 26.483 39.360 27.869 1.00 0.00 O ATOM 1507 NE2 GLN B 203 27.288 40.694 26.240 1.00 0.00 N ATOM 0 H GLN B 203 28.508 35.267 28.745 1.00 0.00 H new ATOM 0 HA GLN B 203 29.934 36.157 26.686 1.00 0.00 H new ATOM 0 HB2 GLN B 203 27.616 36.829 27.384 1.00 0.00 H new ATOM 0 HB3 GLN B 203 28.287 37.763 28.707 1.00 0.00 H new ATOM 0 HG2 GLN B 203 29.457 39.216 26.978 1.00 0.00 H new ATOM 0 HG3 GLN B 203 28.568 38.354 25.738 1.00 0.00 H new ATOM 0 HE21 GLN B 203 28.003 40.858 25.532 1.00 0.00 H new ATOM 0 HE22 GLN B 203 26.536 41.370 26.371 1.00 0.00 H new ATOM 1516 N MET B 204 31.125 37.541 29.390 1.00 0.00 N ATOM 1517 CA MET B 204 32.249 38.238 29.936 1.00 0.00 C ATOM 1518 C MET B 204 33.581 37.596 29.757 1.00 0.00 C ATOM 1519 O MET B 204 34.601 38.283 29.783 1.00 0.00 O ATOM 1520 CB MET B 204 31.961 38.568 31.411 1.00 0.00 C ATOM 1521 CG MET B 204 32.320 40.018 31.745 1.00 0.00 C ATOM 1522 SD MET B 204 31.462 40.712 33.189 1.00 0.00 S ATOM 1523 CE MET B 204 32.242 39.681 34.464 1.00 0.00 C ATOM 0 H MET B 204 30.480 37.204 30.105 1.00 0.00 H new ATOM 0 HA MET B 204 32.350 39.148 29.345 1.00 0.00 H new ATOM 0 HB2 MET B 204 30.906 38.396 31.624 1.00 0.00 H new ATOM 0 HB3 MET B 204 32.530 37.895 32.053 1.00 0.00 H new ATOM 0 HG2 MET B 204 33.395 40.080 31.916 1.00 0.00 H new ATOM 0 HG3 MET B 204 32.099 40.640 30.877 1.00 0.00 H new ATOM 0 HE1 MET B 204 32.074 40.126 35.445 1.00 0.00 H new ATOM 0 HE2 MET B 204 31.808 38.682 34.440 1.00 0.00 H new ATOM 0 HE3 MET B 204 33.313 39.616 34.274 1.00 0.00 H new ATOM 1533 N LEU B 205 33.672 36.277 29.510 1.00 0.00 N ATOM 1534 CA LEU B 205 34.895 35.627 29.155 1.00 0.00 C ATOM 1535 C LEU B 205 35.463 36.082 27.856 1.00 0.00 C ATOM 1536 O LEU B 205 36.664 36.316 27.717 1.00 0.00 O ATOM 1537 CB LEU B 205 34.816 34.090 29.145 1.00 0.00 C ATOM 1538 CG LEU B 205 34.839 33.405 30.521 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.811 31.877 30.339 1.00 0.00 C ATOM 1540 CD2 LEU B 205 36.093 33.790 31.323 1.00 0.00 C ATOM 0 H LEU B 205 32.873 35.645 29.559 1.00 0.00 H new ATOM 0 HA LEU B 205 35.565 35.931 29.959 1.00 0.00 H new ATOM 0 HB2 LEU B 205 33.901 33.796 28.630 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.650 33.707 28.557 1.00 0.00 H new ATOM 0 HG LEU B 205 33.960 33.738 31.073 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.827 31.394 31.316 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.903 31.590 29.808 1.00 0.00 H new ATOM 0 HD13 LEU B 205 35.682 31.563 29.764 1.00 0.00 H new ATOM 0 HD21 LEU B 205 36.075 33.287 32.290 1.00 0.00 H new ATOM 0 HD22 LEU B 205 36.984 33.487 30.773 1.00 0.00 H new ATOM 0 HD23 LEU B 205 36.110 34.869 31.476 1.00 0.00 H new ATOM 1552 N LEU B 206 34.576 36.297 26.869 1.00 0.00 N ATOM 1553 CA LEU B 206 34.927 36.800 25.577 1.00 0.00 C ATOM 1554 C LEU B 206 35.302 38.242 25.608 1.00 0.00 C ATOM 1555 O LEU B 206 35.989 38.726 24.711 1.00 0.00 O ATOM 1556 CB LEU B 206 33.749 36.507 24.632 1.00 0.00 C ATOM 1557 CG LEU B 206 33.391 35.015 24.525 1.00 0.00 C ATOM 1558 CD1 LEU B 206 34.643 34.123 24.465 1.00 0.00 C ATOM 1559 CD2 LEU B 206 32.411 34.484 25.585 1.00 0.00 C ATOM 0 H LEU B 206 33.578 36.114 26.974 1.00 0.00 H new ATOM 0 HA LEU B 206 35.823 36.298 25.211 1.00 0.00 H new ATOM 0 HB2 LEU B 206 32.873 37.057 24.978 1.00 0.00 H new ATOM 0 HB3 LEU B 206 33.991 36.885 23.638 1.00 0.00 H new ATOM 0 HG LEU B 206 32.853 34.956 23.579 1.00 0.00 H new ATOM 0 HD11 LEU B 206 34.342 33.078 24.390 1.00 0.00 H new ATOM 0 HD12 LEU B 206 35.240 34.392 23.594 1.00 0.00 H new ATOM 0 HD13 LEU B 206 35.235 34.266 25.369 1.00 0.00 H new ATOM 0 HD21 LEU B 206 32.230 33.423 25.414 1.00 0.00 H new ATOM 0 HD22 LEU B 206 32.838 34.624 26.578 1.00 0.00 H new ATOM 0 HD23 LEU B 206 31.469 35.029 25.515 1.00 0.00 H new ATOM 1571 N GLU B 207 34.935 38.963 26.683 1.00 0.00 N ATOM 1572 CA GLU B 207 35.380 40.295 26.953 1.00 0.00 C ATOM 1573 C GLU B 207 36.740 40.291 27.564 1.00 0.00 C ATOM 1574 O GLU B 207 37.655 40.970 27.102 1.00 0.00 O ATOM 1575 CB GLU B 207 34.409 41.070 27.861 1.00 0.00 C ATOM 1576 CG GLU B 207 32.996 41.222 27.295 1.00 0.00 C ATOM 1577 CD GLU B 207 32.135 42.173 28.115 1.00 0.00 C ATOM 1578 OE1 GLU B 207 32.551 43.346 28.312 1.00 0.00 O ATOM 1579 OE2 GLU B 207 30.997 41.799 28.504 1.00 0.00 O ATOM 0 H GLU B 207 34.300 38.601 27.395 1.00 0.00 H new ATOM 0 HA GLU B 207 35.416 40.806 25.991 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.348 40.563 28.824 1.00 0.00 H new ATOM 0 HB3 GLU B 207 34.820 42.062 28.049 1.00 0.00 H new ATOM 0 HG2 GLU B 207 33.057 41.586 26.269 1.00 0.00 H new ATOM 0 HG3 GLU B 207 32.516 40.244 27.258 1.00 0.00 H new ATOM 1586 N ALA B 208 36.945 39.493 28.626 1.00 0.00 N ATOM 1587 CA ALA B 208 38.180 39.346 29.332 1.00 0.00 C ATOM 1588 C ALA B 208 39.325 38.887 28.496 1.00 0.00 C ATOM 1589 O ALA B 208 40.428 39.420 28.597 1.00 0.00 O ATOM 1590 CB ALA B 208 37.988 38.381 30.514 1.00 0.00 C ATOM 0 H ALA B 208 36.201 38.914 29.016 1.00 0.00 H new ATOM 0 HA ALA B 208 38.444 40.346 29.676 1.00 0.00 H new ATOM 0 HB1 ALA B 208 38.930 38.271 31.050 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.231 38.779 31.189 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.667 37.408 30.141 1.00 0.00 H new ATOM 1596 N ALA B 209 39.107 37.907 27.600 1.00 0.00 N ATOM 1597 CA ALA B 209 40.094 37.442 26.676 1.00 0.00 C ATOM 1598 C ALA B 209 40.511 38.439 25.651 1.00 0.00 C ATOM 1599 O ALA B 209 41.662 38.462 25.216 1.00 0.00 O ATOM 1600 CB ALA B 209 39.566 36.180 25.973 1.00 0.00 C ATOM 0 H ALA B 209 38.213 37.422 27.516 1.00 0.00 H new ATOM 0 HA ALA B 209 40.986 37.236 27.267 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.313 35.818 25.266 1.00 0.00 H new ATOM 0 HB2 ALA B 209 39.364 35.408 26.715 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.646 36.419 25.439 1.00 0.00 H new ATOM 1606 N ASP B 210 39.606 39.338 25.224 1.00 0.00 N ATOM 1607 CA ASP B 210 39.878 40.379 24.282 1.00 0.00 C ATOM 1608 C ASP B 210 40.737 41.430 24.895 1.00 0.00 C ATOM 1609 O ASP B 210 41.793 41.794 24.380 1.00 0.00 O ATOM 1610 CB ASP B 210 38.527 40.923 23.787 1.00 0.00 C ATOM 1611 CG ASP B 210 38.615 41.577 22.414 1.00 0.00 C ATOM 1612 OD1 ASP B 210 39.603 42.311 22.144 1.00 0.00 O ATOM 1613 OD2 ASP B 210 37.689 41.369 21.586 1.00 0.00 O ATOM 0 H ASP B 210 38.640 39.339 25.551 1.00 0.00 H new ATOM 0 HA ASP B 210 40.439 40.001 23.428 1.00 0.00 H new ATOM 0 HB2 ASP B 210 37.805 40.107 23.749 1.00 0.00 H new ATOM 0 HB3 ASP B 210 38.149 41.650 24.506 1.00 0.00 H new ATOM 1618 N TYR B 211 40.347 41.890 26.098 1.00 0.00 N ATOM 1619 CA TYR B 211 41.077 42.736 26.990 1.00 0.00 C ATOM 1620 C TYR B 211 42.475 42.291 27.249 1.00 0.00 C ATOM 1621 O TYR B 211 43.413 43.087 27.249 1.00 0.00 O ATOM 1622 CB TYR B 211 40.230 42.849 28.269 1.00 0.00 C ATOM 1623 CG TYR B 211 40.923 43.332 29.496 1.00 0.00 C ATOM 1624 CD1 TYR B 211 41.609 42.431 30.275 1.00 0.00 C ATOM 1625 CD2 TYR B 211 40.892 44.655 29.868 1.00 0.00 C ATOM 1626 CE1 TYR B 211 42.278 42.844 31.403 1.00 0.00 C ATOM 1627 CE2 TYR B 211 41.523 45.071 31.017 1.00 0.00 C ATOM 1628 CZ TYR B 211 42.214 44.164 31.785 1.00 0.00 C ATOM 1629 OH TYR B 211 42.821 44.561 32.996 1.00 0.00 O ATOM 0 H TYR B 211 39.433 41.645 26.480 1.00 0.00 H new ATOM 0 HA TYR B 211 41.224 43.715 26.533 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.395 43.519 28.065 1.00 0.00 H new ATOM 0 HB3 TYR B 211 39.806 41.868 28.483 1.00 0.00 H new ATOM 0 HD1 TYR B 211 41.623 41.387 29.998 1.00 0.00 H new ATOM 0 HD2 TYR B 211 40.369 45.373 29.254 1.00 0.00 H new ATOM 0 HE1 TYR B 211 42.850 42.137 31.985 1.00 0.00 H new ATOM 0 HE2 TYR B 211 41.476 46.108 31.315 1.00 0.00 H new ATOM 0 HH TYR B 211 42.691 45.524 33.127 1.00 0.00 H new ATOM 1639 N LEU B 212 42.696 40.989 27.506 1.00 0.00 N ATOM 1640 CA LEU B 212 43.983 40.451 27.819 1.00 0.00 C ATOM 1641 C LEU B 212 44.951 40.455 26.685 1.00 0.00 C ATOM 1642 O LEU B 212 46.157 40.595 26.882 1.00 0.00 O ATOM 1643 CB LEU B 212 43.819 39.057 28.449 1.00 0.00 C ATOM 1644 CG LEU B 212 44.474 38.978 29.839 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.816 37.888 30.704 1.00 0.00 C ATOM 1646 CD2 LEU B 212 46.003 38.830 29.766 1.00 0.00 C ATOM 0 H LEU B 212 41.955 40.288 27.496 1.00 0.00 H new ATOM 0 HA LEU B 212 44.439 41.123 28.546 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.759 38.818 28.533 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.264 38.308 27.794 1.00 0.00 H new ATOM 0 HG LEU B 212 44.295 39.933 30.332 1.00 0.00 H new ATOM 0 HD11 LEU B 212 44.300 37.856 31.680 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.757 38.114 30.831 1.00 0.00 H new ATOM 0 HD13 LEU B 212 43.924 36.920 30.214 1.00 0.00 H new ATOM 0 HD21 LEU B 212 46.412 38.779 30.775 1.00 0.00 H new ATOM 0 HD22 LEU B 212 46.255 37.917 29.226 1.00 0.00 H new ATOM 0 HD23 LEU B 212 46.427 39.689 29.245 1.00 0.00 H new ATOM 1658 N GLU B 213 44.468 40.370 25.433 1.00 0.00 N ATOM 1659 CA GLU B 213 45.271 40.583 24.269 1.00 0.00 C ATOM 1660 C GLU B 213 45.695 42.000 24.095 1.00 0.00 C ATOM 1661 O GLU B 213 46.832 42.286 23.720 1.00 0.00 O ATOM 1662 CB GLU B 213 44.574 40.108 22.983 1.00 0.00 C ATOM 1663 CG GLU B 213 44.394 38.590 22.918 1.00 0.00 C ATOM 1664 CD GLU B 213 44.079 38.140 21.499 1.00 0.00 C ATOM 1665 OE1 GLU B 213 43.016 38.525 20.945 1.00 0.00 O ATOM 1666 OE2 GLU B 213 44.919 37.397 20.923 1.00 0.00 O ATOM 0 H GLU B 213 43.495 40.148 25.224 1.00 0.00 H new ATOM 0 HA GLU B 213 46.163 39.980 24.439 1.00 0.00 H new ATOM 0 HB2 GLU B 213 43.597 40.586 22.909 1.00 0.00 H new ATOM 0 HB3 GLU B 213 45.155 40.435 22.121 1.00 0.00 H new ATOM 0 HG2 GLU B 213 45.301 38.097 23.267 1.00 0.00 H new ATOM 0 HG3 GLU B 213 43.589 38.286 23.587 1.00 0.00 H new ATOM 1673 N ARG B 214 44.822 42.969 24.421 1.00 0.00 N ATOM 1674 CA ARG B 214 45.146 44.361 24.458 1.00 0.00 C ATOM 1675 C ARG B 214 46.191 44.674 25.471 1.00 0.00 C ATOM 1676 O ARG B 214 47.080 45.492 25.242 1.00 0.00 O ATOM 1677 CB ARG B 214 43.898 45.218 24.734 1.00 0.00 C ATOM 1678 CG ARG B 214 42.778 45.111 23.698 1.00 0.00 C ATOM 1679 CD ARG B 214 42.822 46.154 22.580 1.00 0.00 C ATOM 1680 NE ARG B 214 43.900 45.785 21.620 1.00 0.00 N ATOM 1681 CZ ARG B 214 44.867 46.637 21.170 1.00 0.00 C ATOM 1682 NH1 ARG B 214 44.943 47.930 21.599 1.00 0.00 N ATOM 1683 NH2 ARG B 214 45.770 46.194 20.247 1.00 0.00 N ATOM 0 H ARG B 214 43.852 42.775 24.669 1.00 0.00 H new ATOM 0 HA ARG B 214 45.543 44.605 23.472 1.00 0.00 H new ATOM 0 HB2 ARG B 214 43.495 44.938 25.707 1.00 0.00 H new ATOM 0 HB3 ARG B 214 44.205 46.262 24.804 1.00 0.00 H new ATOM 0 HG2 ARG B 214 42.814 44.119 23.249 1.00 0.00 H new ATOM 0 HG3 ARG B 214 41.820 45.193 24.212 1.00 0.00 H new ATOM 0 HD2 ARG B 214 41.861 46.199 22.068 1.00 0.00 H new ATOM 0 HD3 ARG B 214 43.009 47.144 22.995 1.00 0.00 H new ATOM 0 HE ARG B 214 43.917 44.826 21.274 1.00 0.00 H new ATOM 0 HH11 ARG B 214 44.266 48.284 22.274 1.00 0.00 H new ATOM 0 HH12 ARG B 214 45.677 48.543 21.244 1.00 0.00 H new ATOM 0 HH21 ARG B 214 45.718 45.236 19.901 1.00 0.00 H new ATOM 0 HH22 ARG B 214 46.497 46.821 19.903 1.00 0.00 H new ATOM 1697 N ARG B 215 46.162 43.981 26.624 1.00 0.00 N ATOM 1698 CA ARG B 215 47.126 44.043 27.678 1.00 0.00 C ATOM 1699 C ARG B 215 48.524 43.704 27.289 1.00 0.00 C ATOM 1700 O ARG B 215 49.481 44.324 27.751 1.00 0.00 O ATOM 1701 CB ARG B 215 46.654 43.176 28.857 1.00 0.00 C ATOM 1702 CG ARG B 215 46.926 43.835 30.210 1.00 0.00 C ATOM 1703 CD ARG B 215 46.493 43.035 31.440 1.00 0.00 C ATOM 1704 NE ARG B 215 47.421 41.876 31.566 1.00 0.00 N ATOM 1705 CZ ARG B 215 47.769 41.306 32.756 1.00 0.00 C ATOM 1706 NH1 ARG B 215 47.098 41.526 33.924 1.00 0.00 N ATOM 1707 NH2 ARG B 215 48.866 40.493 32.775 1.00 0.00 N ATOM 0 H ARG B 215 45.407 43.328 26.833 1.00 0.00 H new ATOM 0 HA ARG B 215 47.180 45.092 27.969 1.00 0.00 H new ATOM 0 HB2 ARG B 215 45.586 42.983 28.758 1.00 0.00 H new ATOM 0 HB3 ARG B 215 47.157 42.210 28.819 1.00 0.00 H new ATOM 0 HG2 ARG B 215 47.995 44.034 30.287 1.00 0.00 H new ATOM 0 HG3 ARG B 215 46.420 44.800 30.231 1.00 0.00 H new ATOM 0 HD2 ARG B 215 46.531 43.656 32.335 1.00 0.00 H new ATOM 0 HD3 ARG B 215 45.464 42.693 31.333 1.00 0.00 H new ATOM 0 HE ARG B 215 47.820 41.486 30.712 1.00 0.00 H new ATOM 0 HH11 ARG B 215 46.288 42.146 33.938 1.00 0.00 H new ATOM 0 HH12 ARG B 215 47.406 41.070 34.783 1.00 0.00 H new ATOM 0 HH21 ARG B 215 49.395 40.330 31.918 1.00 0.00 H new ATOM 0 HH22 ARG B 215 49.157 40.049 33.646 1.00 0.00 H new