USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=17 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: A 38 TYR OH : rot 169:sc= 0 USER MOD Set 1.2: B 201 ASN : amide:sc= 0.472 K(o=0.47,f=-3.9!) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.0153 K(o=-0.015,f=-1.3!) USER MOD Single : A 12 SER OG : rot -29:sc= 0.0266 USER MOD Single : A 13 TYR OH : rot 35:sc= 0.917 USER MOD Single : A 15 ASN : amide:sc= -0.011 K(o=-0.011,f=-0.54) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 0.922 (180deg=0.479) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 1.29 (180deg=0.97) USER MOD Single : A 19 THR OG1 : rot 77:sc= 0.713 USER MOD Single : A 24 HIS : no HD1:sc= -0.0294 X(o=-0.029,f=-0.14) USER MOD Single : A 28 TYR OH : rot -173:sc= 0.256 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= 0.254 K(o=0.25,f=-0.91) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0568 X(o=-0.057,f=0) USER MOD Single : A 54 SER OG : rot 32:sc= 0.0349 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -0.15 F(o=-0.94,f=-0.15) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 88:sc= 1.26 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 203 GLN :FLIP amide:sc= -0.0601 F(o=-1.2,f=-0.06) USER MOD Single : B 204 MET CE :methyl -174:sc= -0.194 (180deg=-0.286) USER MOD Single : B 211 TYR OH : rot 180:sc= 0.81 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 34.996 44.318 39.955 1.00 0.00 N ATOM 53 CA VAL A 5 35.423 43.198 40.736 1.00 0.00 C ATOM 54 C VAL A 5 35.334 41.937 39.947 1.00 0.00 C ATOM 55 O VAL A 5 36.302 41.207 39.731 1.00 0.00 O ATOM 56 CB VAL A 5 34.541 43.082 41.943 1.00 0.00 C ATOM 57 CG1 VAL A 5 34.893 41.834 42.769 1.00 0.00 C ATOM 58 CG2 VAL A 5 34.674 44.364 42.781 1.00 0.00 C ATOM 0 HA VAL A 5 36.461 43.352 41.032 1.00 0.00 H new ATOM 0 HB VAL A 5 33.505 42.968 41.625 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.237 41.776 43.638 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.762 40.943 42.155 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.930 41.897 43.100 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.036 44.291 43.662 1.00 0.00 H new ATOM 0 HG22 VAL A 5 35.711 44.489 43.093 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.369 45.223 42.183 1.00 0.00 H new ATOM 68 N GLU A 6 34.123 41.652 39.437 1.00 0.00 N ATOM 69 CA GLU A 6 33.829 40.412 38.787 1.00 0.00 C ATOM 70 C GLU A 6 34.269 40.383 37.364 1.00 0.00 C ATOM 71 O GLU A 6 34.498 39.322 36.785 1.00 0.00 O ATOM 72 CB GLU A 6 32.350 40.032 38.965 1.00 0.00 C ATOM 73 CG GLU A 6 31.353 40.956 38.263 1.00 0.00 C ATOM 74 CD GLU A 6 30.114 41.154 39.123 1.00 0.00 C ATOM 75 OE1 GLU A 6 29.365 40.173 39.378 1.00 0.00 O ATOM 76 OE2 GLU A 6 29.929 42.291 39.634 1.00 0.00 O ATOM 0 H GLU A 6 33.332 42.295 39.477 1.00 0.00 H new ATOM 0 HA GLU A 6 34.421 39.642 39.281 1.00 0.00 H new ATOM 0 HB2 GLU A 6 32.205 39.017 38.594 1.00 0.00 H new ATOM 0 HB3 GLU A 6 32.120 40.018 40.030 1.00 0.00 H new ATOM 0 HG2 GLU A 6 31.821 41.920 38.061 1.00 0.00 H new ATOM 0 HG3 GLU A 6 31.070 40.531 37.300 1.00 0.00 H new ATOM 83 N PHE A 7 34.524 41.581 36.808 1.00 0.00 N ATOM 84 CA PHE A 7 35.354 41.767 35.658 1.00 0.00 C ATOM 85 C PHE A 7 36.721 41.216 35.876 1.00 0.00 C ATOM 86 O PHE A 7 37.188 40.405 35.079 1.00 0.00 O ATOM 87 CB PHE A 7 35.464 43.243 35.240 1.00 0.00 C ATOM 88 CG PHE A 7 34.370 43.598 34.292 1.00 0.00 C ATOM 89 CD1 PHE A 7 34.472 43.198 32.981 1.00 0.00 C ATOM 90 CD2 PHE A 7 33.264 44.311 34.694 1.00 0.00 C ATOM 91 CE1 PHE A 7 33.496 43.526 32.072 1.00 0.00 C ATOM 92 CE2 PHE A 7 32.277 44.633 33.793 1.00 0.00 C ATOM 93 CZ PHE A 7 32.396 44.244 32.480 1.00 0.00 C ATOM 0 H PHE A 7 34.138 42.452 37.172 1.00 0.00 H new ATOM 0 HA PHE A 7 34.868 41.220 34.851 1.00 0.00 H new ATOM 0 HB2 PHE A 7 35.411 43.882 36.122 1.00 0.00 H new ATOM 0 HB3 PHE A 7 36.432 43.424 34.772 1.00 0.00 H new ATOM 0 HD1 PHE A 7 35.327 42.621 32.663 1.00 0.00 H new ATOM 0 HD2 PHE A 7 33.171 44.620 35.725 1.00 0.00 H new ATOM 0 HE1 PHE A 7 33.592 43.221 31.040 1.00 0.00 H new ATOM 0 HE2 PHE A 7 31.410 45.190 34.116 1.00 0.00 H new ATOM 0 HZ PHE A 7 31.626 44.502 31.769 1.00 0.00 H new ATOM 103 N ASN A 8 37.396 41.541 36.993 1.00 0.00 N ATOM 104 CA ASN A 8 38.723 41.104 37.295 1.00 0.00 C ATOM 105 C ASN A 8 38.775 39.659 37.654 1.00 0.00 C ATOM 106 O ASN A 8 39.797 39.008 37.443 1.00 0.00 O ATOM 107 CB ASN A 8 39.360 41.933 38.423 1.00 0.00 C ATOM 108 CG ASN A 8 40.078 43.137 37.832 1.00 0.00 C ATOM 109 OD1 ASN A 8 41.290 43.092 37.625 1.00 0.00 O ATOM 110 ND2 ASN A 8 39.328 44.232 37.535 1.00 0.00 N ATOM 0 H ASN A 8 36.997 42.136 37.719 1.00 0.00 H new ATOM 0 HA ASN A 8 39.297 41.254 36.381 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.592 42.263 39.123 1.00 0.00 H new ATOM 0 HB3 ASN A 8 40.063 41.319 38.986 1.00 0.00 H new ATOM 0 HD21 ASN A 8 39.768 45.056 37.125 1.00 0.00 H new ATOM 0 HD22 ASN A 8 38.325 44.229 37.722 1.00 0.00 H new ATOM 117 N ASN A 9 37.666 39.080 38.150 1.00 0.00 N ATOM 118 CA ASN A 9 37.542 37.671 38.358 1.00 0.00 C ATOM 119 C ASN A 9 37.327 36.926 37.086 1.00 0.00 C ATOM 120 O ASN A 9 37.713 35.766 36.954 1.00 0.00 O ATOM 121 CB ASN A 9 36.432 37.334 39.368 1.00 0.00 C ATOM 122 CG ASN A 9 36.803 37.939 40.714 1.00 0.00 C ATOM 123 OD1 ASN A 9 37.975 38.089 41.057 1.00 0.00 O ATOM 124 ND2 ASN A 9 35.775 38.305 41.526 1.00 0.00 N ATOM 0 H ASN A 9 36.833 39.607 38.413 1.00 0.00 H new ATOM 0 HA ASN A 9 38.494 37.346 38.777 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.476 37.730 39.026 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.316 36.254 39.457 1.00 0.00 H new ATOM 0 HD21 ASN A 9 35.968 38.713 42.441 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.811 38.171 41.220 1.00 0.00 H new ATOM 131 N ALA A 10 36.755 37.581 36.059 1.00 0.00 N ATOM 132 CA ALA A 10 36.797 37.086 34.719 1.00 0.00 C ATOM 133 C ALA A 10 38.169 37.156 34.142 1.00 0.00 C ATOM 134 O ALA A 10 38.637 36.192 33.540 1.00 0.00 O ATOM 135 CB ALA A 10 35.746 37.766 33.826 1.00 0.00 C ATOM 0 H ALA A 10 36.257 38.465 36.161 1.00 0.00 H new ATOM 0 HA ALA A 10 36.534 36.029 34.757 1.00 0.00 H new ATOM 0 HB1 ALA A 10 35.811 37.362 32.816 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.751 37.579 34.229 1.00 0.00 H new ATOM 0 HB3 ALA A 10 35.931 38.840 33.800 1.00 0.00 H new ATOM 141 N ILE A 11 38.916 38.256 34.350 1.00 0.00 N ATOM 142 CA ILE A 11 40.272 38.406 33.922 1.00 0.00 C ATOM 143 C ILE A 11 41.180 37.370 34.489 1.00 0.00 C ATOM 144 O ILE A 11 41.882 36.674 33.756 1.00 0.00 O ATOM 145 CB ILE A 11 40.878 39.735 34.265 1.00 0.00 C ATOM 146 CG1 ILE A 11 40.046 40.942 33.800 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.261 39.897 33.611 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.443 40.810 32.402 1.00 0.00 C ATOM 0 H ILE A 11 38.558 39.077 34.838 1.00 0.00 H new ATOM 0 HA ILE A 11 40.195 38.304 32.840 1.00 0.00 H new ATOM 0 HB ILE A 11 40.930 39.730 35.354 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.238 41.104 34.514 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.677 41.830 33.825 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.677 40.869 33.876 1.00 0.00 H new ATOM 0 HG22 ILE A 11 42.925 39.109 33.965 1.00 0.00 H new ATOM 0 HG23 ILE A 11 42.162 39.828 32.528 1.00 0.00 H new ATOM 0 HD11 ILE A 11 38.875 41.709 32.164 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.242 40.682 31.672 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.781 39.944 32.371 1.00 0.00 H new ATOM 160 N SER A 12 41.180 37.219 35.825 1.00 0.00 N ATOM 161 CA SER A 12 41.995 36.293 36.550 1.00 0.00 C ATOM 162 C SER A 12 41.875 34.886 36.075 1.00 0.00 C ATOM 163 O SER A 12 42.861 34.152 36.005 1.00 0.00 O ATOM 164 CB SER A 12 41.782 36.339 38.072 1.00 0.00 C ATOM 165 OG SER A 12 40.516 35.824 38.460 1.00 0.00 O ATOM 0 H SER A 12 40.578 37.774 36.433 1.00 0.00 H new ATOM 0 HA SER A 12 43.008 36.636 36.339 1.00 0.00 H new ATOM 0 HB2 SER A 12 42.569 35.767 38.563 1.00 0.00 H new ATOM 0 HB3 SER A 12 41.873 37.369 38.417 1.00 0.00 H new ATOM 0 HG SER A 12 39.870 35.966 37.737 1.00 0.00 H new ATOM 171 N TYR A 13 40.663 34.474 35.665 1.00 0.00 N ATOM 172 CA TYR A 13 40.376 33.191 35.102 1.00 0.00 C ATOM 173 C TYR A 13 41.091 32.946 33.818 1.00 0.00 C ATOM 174 O TYR A 13 41.859 31.997 33.679 1.00 0.00 O ATOM 175 CB TYR A 13 38.857 33.065 34.898 1.00 0.00 C ATOM 176 CG TYR A 13 38.474 31.664 34.563 1.00 0.00 C ATOM 177 CD1 TYR A 13 38.739 30.641 35.443 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.926 31.380 33.335 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.440 29.345 35.092 1.00 0.00 C ATOM 180 CE2 TYR A 13 37.599 30.090 32.991 1.00 0.00 C ATOM 181 CZ TYR A 13 37.870 29.069 33.872 1.00 0.00 C ATOM 182 OH TYR A 13 37.587 27.735 33.512 1.00 0.00 O ATOM 0 H TYR A 13 39.837 35.069 35.730 1.00 0.00 H new ATOM 0 HA TYR A 13 40.733 32.434 35.801 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.338 33.380 35.803 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.538 33.733 34.098 1.00 0.00 H new ATOM 0 HD1 TYR A 13 39.180 30.854 36.406 1.00 0.00 H new ATOM 0 HD2 TYR A 13 37.750 32.180 32.632 1.00 0.00 H new ATOM 0 HE1 TYR A 13 38.654 28.540 35.779 1.00 0.00 H new ATOM 0 HE2 TYR A 13 37.134 29.880 32.039 1.00 0.00 H new ATOM 0 HH TYR A 13 37.315 27.232 34.308 1.00 0.00 H new ATOM 192 N VAL A 14 40.883 33.823 32.818 1.00 0.00 N ATOM 193 CA VAL A 14 41.453 33.746 31.509 1.00 0.00 C ATOM 194 C VAL A 14 42.931 33.936 31.537 1.00 0.00 C ATOM 195 O VAL A 14 43.684 33.328 30.778 1.00 0.00 O ATOM 196 CB VAL A 14 40.795 34.747 30.605 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.137 34.430 29.141 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.265 34.636 30.720 1.00 0.00 C ATOM 0 H VAL A 14 40.278 34.636 32.933 1.00 0.00 H new ATOM 0 HA VAL A 14 41.271 32.745 31.117 1.00 0.00 H new ATOM 0 HB VAL A 14 41.145 35.738 30.894 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.657 35.160 28.489 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.217 34.474 29.002 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.780 33.431 28.892 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.797 35.366 30.060 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.950 33.633 30.432 1.00 0.00 H new ATOM 0 HG23 VAL A 14 38.962 34.830 31.749 1.00 0.00 H new ATOM 208 N ASN A 15 43.422 34.750 32.488 1.00 0.00 N ATOM 209 CA ASN A 15 44.809 34.830 32.828 1.00 0.00 C ATOM 210 C ASN A 15 45.410 33.541 33.271 1.00 0.00 C ATOM 211 O ASN A 15 46.453 33.128 32.767 1.00 0.00 O ATOM 212 CB ASN A 15 45.050 35.901 33.905 1.00 0.00 C ATOM 213 CG ASN A 15 46.486 36.404 33.878 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.058 36.657 32.819 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.101 36.587 35.078 1.00 0.00 N ATOM 0 H ASN A 15 42.833 35.374 33.040 1.00 0.00 H new ATOM 0 HA ASN A 15 45.309 35.105 31.899 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.368 36.736 33.748 1.00 0.00 H new ATOM 0 HB3 ASN A 15 44.827 35.487 34.888 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.057 36.941 35.112 1.00 0.00 H new ATOM 0 HD22 ASN A 15 46.606 36.370 35.943 1.00 0.00 H new ATOM 222 N LYS A 16 44.778 32.816 34.211 1.00 0.00 N ATOM 223 CA LYS A 16 45.214 31.536 34.676 1.00 0.00 C ATOM 224 C LYS A 16 45.170 30.465 33.642 1.00 0.00 C ATOM 225 O LYS A 16 45.974 29.535 33.668 1.00 0.00 O ATOM 226 CB LYS A 16 44.410 31.102 35.913 1.00 0.00 C ATOM 227 CG LYS A 16 44.834 31.857 37.174 1.00 0.00 C ATOM 228 CD LYS A 16 44.065 31.461 38.436 1.00 0.00 C ATOM 229 CE LYS A 16 42.587 31.853 38.425 1.00 0.00 C ATOM 230 NZ LYS A 16 41.982 31.632 39.757 1.00 0.00 N ATOM 0 H LYS A 16 43.924 33.137 34.668 1.00 0.00 H new ATOM 0 HA LYS A 16 46.264 31.666 34.939 1.00 0.00 H new ATOM 0 HB2 LYS A 16 43.348 31.270 35.731 1.00 0.00 H new ATOM 0 HB3 LYS A 16 44.541 30.032 36.072 1.00 0.00 H new ATOM 0 HG2 LYS A 16 45.898 31.689 37.343 1.00 0.00 H new ATOM 0 HG3 LYS A 16 44.704 32.926 37.004 1.00 0.00 H new ATOM 0 HD2 LYS A 16 44.141 30.382 38.569 1.00 0.00 H new ATOM 0 HD3 LYS A 16 44.544 31.923 39.299 1.00 0.00 H new ATOM 0 HE2 LYS A 16 42.485 32.901 38.142 1.00 0.00 H new ATOM 0 HE3 LYS A 16 42.055 31.267 37.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 40.947 31.706 39.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 42.238 30.685 40.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 42.335 32.350 40.422 1.00 0.00 H new ATOM 244 N ILE A 17 44.254 30.581 32.662 1.00 0.00 N ATOM 245 CA ILE A 17 44.188 29.817 31.455 1.00 0.00 C ATOM 246 C ILE A 17 45.376 30.059 30.590 1.00 0.00 C ATOM 247 O ILE A 17 46.058 29.107 30.210 1.00 0.00 O ATOM 248 CB ILE A 17 42.888 30.100 30.761 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.750 29.415 31.535 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.870 29.656 29.288 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.346 29.811 31.077 1.00 0.00 C ATOM 0 H ILE A 17 43.500 31.265 32.721 1.00 0.00 H new ATOM 0 HA ILE A 17 44.215 28.754 31.694 1.00 0.00 H new ATOM 0 HB ILE A 17 42.754 31.182 30.751 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.860 28.335 31.437 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.854 29.652 32.594 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.900 29.891 28.849 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.653 30.180 28.740 1.00 0.00 H new ATOM 0 HG23 ILE A 17 43.044 28.582 29.230 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.605 29.282 31.676 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.212 30.886 31.201 1.00 0.00 H new ATOM 0 HD13 ILE A 17 40.218 29.549 30.027 1.00 0.00 H new ATOM 263 N LYS A 18 45.721 31.321 30.278 1.00 0.00 N ATOM 264 CA LYS A 18 46.903 31.689 29.561 1.00 0.00 C ATOM 265 C LYS A 18 48.163 31.177 30.169 1.00 0.00 C ATOM 266 O LYS A 18 49.011 30.630 29.465 1.00 0.00 O ATOM 267 CB LYS A 18 47.058 33.212 29.418 1.00 0.00 C ATOM 268 CG LYS A 18 46.212 33.863 28.323 1.00 0.00 C ATOM 269 CD LYS A 18 46.544 35.354 28.245 1.00 0.00 C ATOM 270 CE LYS A 18 46.073 36.047 26.965 1.00 0.00 C ATOM 271 NZ LYS A 18 46.964 35.763 25.818 1.00 0.00 N ATOM 0 H LYS A 18 45.148 32.124 30.538 1.00 0.00 H new ATOM 0 HA LYS A 18 46.759 31.224 28.586 1.00 0.00 H new ATOM 0 HB2 LYS A 18 46.805 33.676 30.371 1.00 0.00 H new ATOM 0 HB3 LYS A 18 48.107 33.436 29.223 1.00 0.00 H new ATOM 0 HG2 LYS A 18 46.408 33.385 27.363 1.00 0.00 H new ATOM 0 HG3 LYS A 18 45.152 33.726 28.537 1.00 0.00 H new ATOM 0 HD2 LYS A 18 46.095 35.858 29.101 1.00 0.00 H new ATOM 0 HD3 LYS A 18 47.623 35.477 28.333 1.00 0.00 H new ATOM 0 HE2 LYS A 18 45.061 35.719 26.727 1.00 0.00 H new ATOM 0 HE3 LYS A 18 46.029 37.123 27.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 46.563 36.181 24.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 47.903 36.173 25.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 47.054 34.734 25.695 1.00 0.00 H new ATOM 285 N THR A 19 48.318 31.325 31.497 1.00 0.00 N ATOM 286 CA THR A 19 49.437 30.888 32.273 1.00 0.00 C ATOM 287 C THR A 19 49.656 29.414 32.264 1.00 0.00 C ATOM 288 O THR A 19 50.793 28.948 32.210 1.00 0.00 O ATOM 289 CB THR A 19 49.294 31.368 33.687 1.00 0.00 C ATOM 290 OG1 THR A 19 49.170 32.781 33.714 1.00 0.00 O ATOM 291 CG2 THR A 19 50.533 31.041 34.539 1.00 0.00 C ATOM 0 H THR A 19 47.609 31.784 32.069 1.00 0.00 H new ATOM 0 HA THR A 19 50.316 31.325 31.799 1.00 0.00 H new ATOM 0 HB THR A 19 48.413 30.866 34.088 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.260 33.035 33.453 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.383 31.408 35.555 1.00 0.00 H new ATOM 0 HG22 THR A 19 50.685 29.962 34.561 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.410 31.522 34.105 1.00 0.00 H new ATOM 299 N ARG A 20 48.603 28.578 32.299 1.00 0.00 N ATOM 300 CA ARG A 20 48.746 27.162 32.164 1.00 0.00 C ATOM 301 C ARG A 20 48.928 26.707 30.757 1.00 0.00 C ATOM 302 O ARG A 20 49.729 25.818 30.473 1.00 0.00 O ATOM 303 CB ARG A 20 47.533 26.441 32.776 1.00 0.00 C ATOM 304 CG ARG A 20 47.532 26.459 34.306 1.00 0.00 C ATOM 305 CD ARG A 20 46.178 26.075 34.907 1.00 0.00 C ATOM 306 NE ARG A 20 46.333 25.885 36.377 1.00 0.00 N ATOM 307 CZ ARG A 20 46.481 26.887 37.290 1.00 0.00 C ATOM 308 NH1 ARG A 20 46.488 28.200 36.919 1.00 0.00 N ATOM 309 NH2 ARG A 20 46.642 26.581 38.611 1.00 0.00 N ATOM 0 H ARG A 20 47.639 28.889 32.423 1.00 0.00 H new ATOM 0 HA ARG A 20 49.658 26.905 32.702 1.00 0.00 H new ATOM 0 HB2 ARG A 20 46.618 26.909 32.413 1.00 0.00 H new ATOM 0 HB3 ARG A 20 47.520 25.407 32.431 1.00 0.00 H new ATOM 0 HG2 ARG A 20 48.294 25.771 34.673 1.00 0.00 H new ATOM 0 HG3 ARG A 20 47.808 27.455 34.652 1.00 0.00 H new ATOM 0 HD2 ARG A 20 45.442 26.853 34.704 1.00 0.00 H new ATOM 0 HD3 ARG A 20 45.808 25.159 34.446 1.00 0.00 H new ATOM 0 HE ARG A 20 46.328 24.928 36.729 1.00 0.00 H new ATOM 0 HH11 ARG A 20 46.381 28.453 35.937 1.00 0.00 H new ATOM 0 HH12 ARG A 20 46.600 28.929 37.624 1.00 0.00 H new ATOM 0 HH21 ARG A 20 46.651 25.606 38.911 1.00 0.00 H new ATOM 0 HH22 ARG A 20 46.753 27.327 39.297 1.00 0.00 H new ATOM 323 N PHE A 21 48.205 27.301 29.790 1.00 0.00 N ATOM 324 CA PHE A 21 48.309 26.922 28.415 1.00 0.00 C ATOM 325 C PHE A 21 49.337 27.718 27.686 1.00 0.00 C ATOM 326 O PHE A 21 49.124 28.211 26.580 1.00 0.00 O ATOM 327 CB PHE A 21 46.938 26.990 27.725 1.00 0.00 C ATOM 328 CG PHE A 21 45.977 25.997 28.284 1.00 0.00 C ATOM 329 CD1 PHE A 21 46.313 24.679 28.487 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.690 26.398 28.550 1.00 0.00 C ATOM 331 CE1 PHE A 21 45.383 23.780 28.954 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.751 25.513 29.026 1.00 0.00 C ATOM 333 CZ PHE A 21 44.100 24.197 29.220 1.00 0.00 C ATOM 0 H PHE A 21 47.540 28.054 29.965 1.00 0.00 H new ATOM 0 HA PHE A 21 48.647 25.886 28.386 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.527 27.993 27.836 1.00 0.00 H new ATOM 0 HB3 PHE A 21 47.061 26.812 26.657 1.00 0.00 H new ATOM 0 HD1 PHE A 21 47.319 24.346 28.277 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.410 27.428 28.382 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.660 22.748 29.112 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.748 25.849 29.246 1.00 0.00 H new ATOM 0 HZ PHE A 21 43.367 23.491 29.581 1.00 0.00 H new ATOM 343 N LEU A 22 50.558 27.793 28.246 1.00 0.00 N ATOM 344 CA LEU A 22 51.730 28.284 27.591 1.00 0.00 C ATOM 345 C LEU A 22 52.271 27.264 26.650 1.00 0.00 C ATOM 346 O LEU A 22 52.712 27.567 25.543 1.00 0.00 O ATOM 347 CB LEU A 22 52.840 28.703 28.569 1.00 0.00 C ATOM 348 CG LEU A 22 52.408 29.886 29.452 1.00 0.00 C ATOM 349 CD1 LEU A 22 53.471 30.079 30.547 1.00 0.00 C ATOM 350 CD2 LEU A 22 52.205 31.209 28.694 1.00 0.00 C ATOM 0 H LEU A 22 50.736 27.496 29.205 1.00 0.00 H new ATOM 0 HA LEU A 22 51.417 29.175 27.046 1.00 0.00 H new ATOM 0 HB2 LEU A 22 53.106 27.856 29.201 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.734 28.976 28.008 1.00 0.00 H new ATOM 0 HG LEU A 22 51.431 29.634 29.865 1.00 0.00 H new ATOM 0 HD11 LEU A 22 53.186 30.914 31.187 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.545 29.171 31.146 1.00 0.00 H new ATOM 0 HD13 LEU A 22 54.436 30.289 30.085 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.902 31.987 29.395 1.00 0.00 H new ATOM 0 HD22 LEU A 22 53.139 31.499 28.212 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.431 31.080 27.938 1.00 0.00 H new ATOM 362 N ASP A 23 52.188 25.981 27.049 1.00 0.00 N ATOM 363 CA ASP A 23 52.586 24.910 26.190 1.00 0.00 C ATOM 364 C ASP A 23 51.537 24.582 25.184 1.00 0.00 C ATOM 365 O ASP A 23 51.749 23.757 24.296 1.00 0.00 O ATOM 366 CB ASP A 23 52.969 23.621 26.939 1.00 0.00 C ATOM 367 CG ASP A 23 53.671 23.883 28.263 1.00 0.00 C ATOM 368 OD1 ASP A 23 54.729 24.568 28.297 1.00 0.00 O ATOM 369 OD2 ASP A 23 53.161 23.378 29.299 1.00 0.00 O ATOM 0 H ASP A 23 51.846 25.687 27.964 1.00 0.00 H new ATOM 0 HA ASP A 23 53.478 25.285 25.689 1.00 0.00 H new ATOM 0 HB2 ASP A 23 52.069 23.034 27.122 1.00 0.00 H new ATOM 0 HB3 ASP A 23 53.619 23.019 26.304 1.00 0.00 H new ATOM 374 N HIS A 24 50.344 25.196 25.277 1.00 0.00 N ATOM 375 CA HIS A 24 49.251 24.930 24.393 1.00 0.00 C ATOM 376 C HIS A 24 48.527 26.163 23.972 1.00 0.00 C ATOM 377 O HIS A 24 47.376 26.306 24.379 1.00 0.00 O ATOM 378 CB HIS A 24 48.280 23.929 25.043 1.00 0.00 C ATOM 379 CG HIS A 24 48.868 22.574 25.305 1.00 0.00 C ATOM 380 ND1 HIS A 24 49.502 22.221 26.467 1.00 0.00 N ATOM 381 CD2 HIS A 24 48.879 21.475 24.504 1.00 0.00 C ATOM 382 CE1 HIS A 24 49.884 20.959 26.379 1.00 0.00 C ATOM 383 NE2 HIS A 24 49.512 20.483 25.205 1.00 0.00 N ATOM 0 H HIS A 24 50.133 25.897 25.987 1.00 0.00 H new ATOM 0 HA HIS A 24 49.673 24.496 23.486 1.00 0.00 H new ATOM 0 HB2 HIS A 24 47.925 24.346 25.986 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.409 23.815 24.397 1.00 0.00 H new ATOM 0 HD2 HIS A 24 48.468 21.399 23.508 1.00 0.00 H new ATOM 0 HE1 HIS A 24 50.413 20.408 27.142 1.00 0.00 H new ATOM 0 HE2 HIS A 24 49.670 19.531 24.874 1.00 0.00 H new ATOM 392 N PRO A 25 48.993 27.074 23.170 1.00 0.00 N ATOM 393 CA PRO A 25 48.256 28.255 22.825 1.00 0.00 C ATOM 394 C PRO A 25 47.106 28.022 21.907 1.00 0.00 C ATOM 395 O PRO A 25 46.379 28.960 21.586 1.00 0.00 O ATOM 396 CB PRO A 25 49.269 29.180 22.155 1.00 0.00 C ATOM 397 CG PRO A 25 50.628 28.671 22.664 1.00 0.00 C ATOM 398 CD PRO A 25 50.374 27.156 22.719 1.00 0.00 C ATOM 0 HA PRO A 25 47.807 28.669 23.728 1.00 0.00 H new ATOM 0 HB2 PRO A 25 49.203 29.124 21.068 1.00 0.00 H new ATOM 0 HB3 PRO A 25 49.103 30.221 22.432 1.00 0.00 H new ATOM 0 HG2 PRO A 25 51.444 28.928 21.988 1.00 0.00 H new ATOM 0 HG3 PRO A 25 50.882 29.082 23.641 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.509 26.688 21.744 1.00 0.00 H new ATOM 0 HD3 PRO A 25 51.055 26.657 23.409 1.00 0.00 H new ATOM 406 N GLU A 26 46.903 26.765 21.470 1.00 0.00 N ATOM 407 CA GLU A 26 45.871 26.306 20.593 1.00 0.00 C ATOM 408 C GLU A 26 44.546 26.339 21.272 1.00 0.00 C ATOM 409 O GLU A 26 43.522 26.663 20.672 1.00 0.00 O ATOM 410 CB GLU A 26 46.134 24.864 20.127 1.00 0.00 C ATOM 411 CG GLU A 26 47.603 24.502 19.897 1.00 0.00 C ATOM 412 CD GLU A 26 48.320 25.374 18.877 1.00 0.00 C ATOM 413 OE1 GLU A 26 47.928 25.380 17.679 1.00 0.00 O ATOM 414 OE2 GLU A 26 49.327 26.023 19.268 1.00 0.00 O ATOM 0 H GLU A 26 47.518 26.004 21.758 1.00 0.00 H new ATOM 0 HA GLU A 26 45.868 26.974 19.732 1.00 0.00 H new ATOM 0 HB2 GLU A 26 45.722 24.180 20.869 1.00 0.00 H new ATOM 0 HB3 GLU A 26 45.587 24.695 19.199 1.00 0.00 H new ATOM 0 HG2 GLU A 26 48.133 24.568 20.847 1.00 0.00 H new ATOM 0 HG3 GLU A 26 47.661 23.463 19.571 1.00 0.00 H new ATOM 421 N ILE A 27 44.537 26.046 22.585 1.00 0.00 N ATOM 422 CA ILE A 27 43.385 25.984 23.429 1.00 0.00 C ATOM 423 C ILE A 27 42.676 27.295 23.418 1.00 0.00 C ATOM 424 O ILE A 27 41.457 27.364 23.265 1.00 0.00 O ATOM 425 CB ILE A 27 43.653 25.638 24.864 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.699 24.545 25.138 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.337 25.147 25.491 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.803 23.449 24.077 1.00 0.00 C ATOM 0 H ILE A 27 45.398 25.838 23.091 1.00 0.00 H new ATOM 0 HA ILE A 27 42.789 25.174 23.009 1.00 0.00 H new ATOM 0 HB ILE A 27 44.059 26.556 25.289 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.675 25.019 25.242 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.468 24.078 26.095 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.506 24.889 26.536 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.588 25.936 25.429 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.983 24.268 24.953 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.569 22.731 24.369 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.844 22.939 23.986 1.00 0.00 H new ATOM 0 HD13 ILE A 27 45.070 23.894 23.119 1.00 0.00 H new ATOM 440 N TYR A 28 43.448 28.394 23.487 1.00 0.00 N ATOM 441 CA TYR A 28 42.981 29.745 23.475 1.00 0.00 C ATOM 442 C TYR A 28 42.198 30.111 22.262 1.00 0.00 C ATOM 443 O TYR A 28 41.392 31.040 22.299 1.00 0.00 O ATOM 444 CB TYR A 28 44.182 30.687 23.672 1.00 0.00 C ATOM 445 CG TYR A 28 43.767 31.968 24.310 1.00 0.00 C ATOM 446 CD1 TYR A 28 43.688 32.055 25.681 1.00 0.00 C ATOM 447 CD2 TYR A 28 43.439 33.063 23.547 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.289 33.224 26.281 1.00 0.00 C ATOM 449 CE2 TYR A 28 43.031 34.234 24.142 1.00 0.00 C ATOM 450 CZ TYR A 28 42.973 34.320 25.513 1.00 0.00 C ATOM 451 OH TYR A 28 42.620 35.531 26.145 1.00 0.00 O ATOM 0 H TYR A 28 44.464 28.334 23.556 1.00 0.00 H new ATOM 0 HA TYR A 28 42.275 29.851 24.299 1.00 0.00 H new ATOM 0 HB2 TYR A 28 44.934 30.197 24.291 1.00 0.00 H new ATOM 0 HB3 TYR A 28 44.648 30.893 22.708 1.00 0.00 H new ATOM 0 HD1 TYR A 28 43.941 31.199 26.289 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.502 33.003 22.470 1.00 0.00 H new ATOM 0 HE1 TYR A 28 43.223 33.283 27.357 1.00 0.00 H new ATOM 0 HE2 TYR A 28 42.757 35.084 23.534 1.00 0.00 H new ATOM 0 HH TYR A 28 42.321 36.177 25.471 1.00 0.00 H new ATOM 461 N ARG A 29 42.331 29.390 21.134 1.00 0.00 N ATOM 462 CA ARG A 29 41.474 29.576 20.004 1.00 0.00 C ATOM 463 C ARG A 29 40.178 28.867 20.202 1.00 0.00 C ATOM 464 O ARG A 29 39.110 29.476 20.199 1.00 0.00 O ATOM 465 CB ARG A 29 42.109 29.104 18.685 1.00 0.00 C ATOM 466 CG ARG A 29 43.268 29.965 18.178 1.00 0.00 C ATOM 467 CD ARG A 29 44.622 29.688 18.833 1.00 0.00 C ATOM 468 NE ARG A 29 45.554 30.721 18.298 1.00 0.00 N ATOM 469 CZ ARG A 29 46.006 31.761 19.057 1.00 0.00 C ATOM 470 NH1 ARG A 29 46.146 31.625 20.408 1.00 0.00 N ATOM 471 NH2 ARG A 29 46.303 32.952 18.459 1.00 0.00 N ATOM 0 H ARG A 29 43.041 28.670 21.004 1.00 0.00 H new ATOM 0 HA ARG A 29 41.306 30.650 19.927 1.00 0.00 H new ATOM 0 HB2 ARG A 29 42.466 28.083 18.817 1.00 0.00 H new ATOM 0 HB3 ARG A 29 41.336 29.075 17.917 1.00 0.00 H new ATOM 0 HG2 ARG A 29 43.366 29.817 17.103 1.00 0.00 H new ATOM 0 HG3 ARG A 29 43.015 31.014 18.334 1.00 0.00 H new ATOM 0 HD2 ARG A 29 44.551 29.751 19.919 1.00 0.00 H new ATOM 0 HD3 ARG A 29 44.973 28.684 18.594 1.00 0.00 H new ATOM 0 HE ARG A 29 45.865 30.648 17.329 1.00 0.00 H new ATOM 0 HH11 ARG A 29 45.912 30.740 20.858 1.00 0.00 H new ATOM 0 HH12 ARG A 29 46.485 32.408 20.967 1.00 0.00 H new ATOM 0 HH21 ARG A 29 46.186 33.060 17.451 1.00 0.00 H new ATOM 0 HH22 ARG A 29 46.641 33.734 19.020 1.00 0.00 H new ATOM 485 N SER A 30 40.219 27.534 20.372 1.00 0.00 N ATOM 486 CA SER A 30 39.068 26.687 20.318 1.00 0.00 C ATOM 487 C SER A 30 38.221 26.710 21.544 1.00 0.00 C ATOM 488 O SER A 30 37.037 26.382 21.484 1.00 0.00 O ATOM 489 CB SER A 30 39.461 25.231 20.020 1.00 0.00 C ATOM 490 OG SER A 30 40.123 25.148 18.767 1.00 0.00 O ATOM 0 H SER A 30 41.085 27.027 20.554 1.00 0.00 H new ATOM 0 HA SER A 30 38.469 27.100 19.507 1.00 0.00 H new ATOM 0 HB2 SER A 30 40.112 24.854 20.809 1.00 0.00 H new ATOM 0 HB3 SER A 30 38.572 24.601 20.012 1.00 0.00 H new ATOM 0 HG SER A 30 40.370 24.217 18.589 1.00 0.00 H new ATOM 496 N PHE A 31 38.761 27.148 22.695 1.00 0.00 N ATOM 497 CA PHE A 31 38.035 27.465 23.886 1.00 0.00 C ATOM 498 C PHE A 31 36.963 28.474 23.660 1.00 0.00 C ATOM 499 O PHE A 31 35.776 28.210 23.846 1.00 0.00 O ATOM 500 CB PHE A 31 39.058 27.953 24.925 1.00 0.00 C ATOM 501 CG PHE A 31 38.537 28.470 26.222 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.621 27.740 26.942 1.00 0.00 C ATOM 503 CD2 PHE A 31 38.997 29.659 26.740 1.00 0.00 C ATOM 504 CE1 PHE A 31 37.125 28.216 28.133 1.00 0.00 C ATOM 505 CE2 PHE A 31 38.518 30.136 27.937 1.00 0.00 C ATOM 506 CZ PHE A 31 37.573 29.417 28.631 1.00 0.00 C ATOM 0 H PHE A 31 39.766 27.289 22.800 1.00 0.00 H new ATOM 0 HA PHE A 31 37.514 26.576 24.241 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.736 27.127 25.141 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.653 28.742 24.465 1.00 0.00 H new ATOM 0 HD1 PHE A 31 37.288 26.783 26.568 1.00 0.00 H new ATOM 0 HD2 PHE A 31 39.743 30.224 26.200 1.00 0.00 H new ATOM 0 HE1 PHE A 31 36.385 27.648 28.676 1.00 0.00 H new ATOM 0 HE2 PHE A 31 38.883 31.073 28.331 1.00 0.00 H new ATOM 0 HZ PHE A 31 37.184 29.795 29.565 1.00 0.00 H new ATOM 516 N LEU A 32 37.349 29.683 23.215 1.00 0.00 N ATOM 517 CA LEU A 32 36.462 30.792 23.044 1.00 0.00 C ATOM 518 C LEU A 32 35.451 30.544 21.979 1.00 0.00 C ATOM 519 O LEU A 32 34.281 30.892 22.121 1.00 0.00 O ATOM 520 CB LEU A 32 37.180 32.081 22.611 1.00 0.00 C ATOM 521 CG LEU A 32 38.589 32.279 23.196 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.361 33.229 22.264 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.566 32.739 24.664 1.00 0.00 C ATOM 0 H LEU A 32 38.315 29.896 22.965 1.00 0.00 H new ATOM 0 HA LEU A 32 36.005 30.908 24.027 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.252 32.089 21.523 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.563 32.934 22.896 1.00 0.00 H new ATOM 0 HG LEU A 32 39.110 31.322 23.235 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.366 33.387 22.656 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.425 32.790 21.269 1.00 0.00 H new ATOM 0 HD13 LEU A 32 38.840 34.185 22.206 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.588 32.862 25.023 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.038 33.690 24.739 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.056 31.992 25.272 1.00 0.00 H new ATOM 535 N GLU A 33 35.891 29.931 20.864 1.00 0.00 N ATOM 536 CA GLU A 33 35.100 29.510 19.750 1.00 0.00 C ATOM 537 C GLU A 33 33.840 28.777 20.061 1.00 0.00 C ATOM 538 O GLU A 33 32.789 29.031 19.475 1.00 0.00 O ATOM 539 CB GLU A 33 35.983 28.684 18.801 1.00 0.00 C ATOM 540 CG GLU A 33 35.641 28.941 17.332 1.00 0.00 C ATOM 541 CD GLU A 33 36.800 28.576 16.415 1.00 0.00 C ATOM 542 OE1 GLU A 33 37.791 29.351 16.357 1.00 0.00 O ATOM 543 OE2 GLU A 33 36.725 27.528 15.719 1.00 0.00 O ATOM 0 H GLU A 33 36.879 29.714 20.734 1.00 0.00 H new ATOM 0 HA GLU A 33 34.746 30.431 19.286 1.00 0.00 H new ATOM 0 HB2 GLU A 33 37.031 28.927 18.977 1.00 0.00 H new ATOM 0 HB3 GLU A 33 35.860 27.624 19.022 1.00 0.00 H new ATOM 0 HG2 GLU A 33 34.761 28.360 17.056 1.00 0.00 H new ATOM 0 HG3 GLU A 33 35.385 29.992 17.196 1.00 0.00 H new ATOM 550 N ILE A 34 33.875 27.869 21.052 1.00 0.00 N ATOM 551 CA ILE A 34 32.739 27.173 21.573 1.00 0.00 C ATOM 552 C ILE A 34 31.852 28.076 22.361 1.00 0.00 C ATOM 553 O ILE A 34 30.640 28.082 22.158 1.00 0.00 O ATOM 554 CB ILE A 34 33.206 25.938 22.283 1.00 0.00 C ATOM 555 CG1 ILE A 34 33.498 24.877 21.208 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.173 25.406 23.292 1.00 0.00 C ATOM 557 CD1 ILE A 34 34.605 23.896 21.595 1.00 0.00 C ATOM 0 H ILE A 34 34.745 27.606 21.516 1.00 0.00 H new ATOM 0 HA ILE A 34 32.092 26.833 20.765 1.00 0.00 H new ATOM 0 HB ILE A 34 34.097 26.176 22.864 1.00 0.00 H new ATOM 0 HG12 ILE A 34 32.585 24.318 21.005 1.00 0.00 H new ATOM 0 HG13 ILE A 34 33.777 25.379 20.282 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.565 24.511 23.776 1.00 0.00 H new ATOM 0 HG22 ILE A 34 31.974 26.168 24.045 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.248 25.161 22.770 1.00 0.00 H new ATOM 0 HD11 ILE A 34 34.754 23.179 20.788 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.531 24.443 21.770 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.320 23.366 22.504 1.00 0.00 H new ATOM 569 N LEU A 35 32.380 28.955 23.231 1.00 0.00 N ATOM 570 CA LEU A 35 31.595 29.940 23.908 1.00 0.00 C ATOM 571 C LEU A 35 30.930 30.900 22.983 1.00 0.00 C ATOM 572 O LEU A 35 29.786 31.310 23.172 1.00 0.00 O ATOM 573 CB LEU A 35 32.453 30.724 24.914 1.00 0.00 C ATOM 574 CG LEU A 35 33.472 29.918 25.738 1.00 0.00 C ATOM 575 CD1 LEU A 35 33.754 30.662 27.055 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.084 28.523 26.256 1.00 0.00 C ATOM 0 H LEU A 35 33.371 28.982 23.469 1.00 0.00 H new ATOM 0 HA LEU A 35 30.812 29.389 24.429 1.00 0.00 H new ATOM 0 HB2 LEU A 35 32.994 31.497 24.368 1.00 0.00 H new ATOM 0 HB3 LEU A 35 31.783 31.233 25.607 1.00 0.00 H new ATOM 0 HG LEU A 35 34.279 29.807 25.013 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.476 30.097 27.645 1.00 0.00 H new ATOM 0 HD12 LEU A 35 34.159 31.650 26.835 1.00 0.00 H new ATOM 0 HD13 LEU A 35 32.827 30.767 27.619 1.00 0.00 H new ATOM 0 HD21 LEU A 35 33.917 28.098 26.815 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.214 28.606 26.908 1.00 0.00 H new ATOM 0 HD23 LEU A 35 32.845 27.875 25.413 1.00 0.00 H new ATOM 588 N HIS A 36 31.624 31.264 21.890 1.00 0.00 N ATOM 589 CA HIS A 36 31.220 32.116 20.814 1.00 0.00 C ATOM 590 C HIS A 36 30.034 31.611 20.066 1.00 0.00 C ATOM 591 O HIS A 36 29.283 32.414 19.513 1.00 0.00 O ATOM 592 CB HIS A 36 32.387 32.312 19.831 1.00 0.00 C ATOM 593 CG HIS A 36 32.472 33.649 19.156 1.00 0.00 C ATOM 594 ND1 HIS A 36 31.390 34.337 18.675 1.00 0.00 N ATOM 595 CD2 HIS A 36 33.567 34.420 18.920 1.00 0.00 C ATOM 596 CE1 HIS A 36 31.805 35.491 18.187 1.00 0.00 C ATOM 597 NE2 HIS A 36 33.116 35.567 18.320 1.00 0.00 N ATOM 0 H HIS A 36 32.574 30.921 21.747 1.00 0.00 H new ATOM 0 HA HIS A 36 30.932 33.063 21.270 1.00 0.00 H new ATOM 0 HB2 HIS A 36 33.319 32.141 20.369 1.00 0.00 H new ATOM 0 HB3 HIS A 36 32.318 31.544 19.061 1.00 0.00 H new ATOM 0 HD1 HIS A 36 30.423 34.012 18.691 1.00 0.00 H new ATOM 0 HD2 HIS A 36 34.592 34.176 19.159 1.00 0.00 H new ATOM 0 HE1 HIS A 36 31.174 36.250 17.750 1.00 0.00 H new ATOM 606 N THR A 37 29.812 30.285 20.063 1.00 0.00 N ATOM 607 CA THR A 37 28.678 29.601 19.522 1.00 0.00 C ATOM 608 C THR A 37 27.423 29.967 20.237 1.00 0.00 C ATOM 609 O THR A 37 26.352 30.087 19.644 1.00 0.00 O ATOM 610 CB THR A 37 28.917 28.123 19.438 1.00 0.00 C ATOM 611 OG1 THR A 37 28.665 27.619 18.134 1.00 0.00 O ATOM 612 CG2 THR A 37 28.055 27.268 20.381 1.00 0.00 C ATOM 0 H THR A 37 30.484 29.637 20.474 1.00 0.00 H new ATOM 0 HA THR A 37 28.537 29.936 18.494 1.00 0.00 H new ATOM 0 HB THR A 37 29.964 28.036 19.728 1.00 0.00 H new ATOM 0 HG1 THR A 37 28.833 26.654 18.118 1.00 0.00 H new ATOM 0 HG21 THR A 37 28.302 26.215 20.245 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.250 27.556 21.414 1.00 0.00 H new ATOM 0 HG23 THR A 37 27.001 27.426 20.153 1.00 0.00 H new ATOM 620 N TYR A 38 27.523 30.199 21.559 1.00 0.00 N ATOM 621 CA TYR A 38 26.479 30.727 22.380 1.00 0.00 C ATOM 622 C TYR A 38 26.377 32.207 22.238 1.00 0.00 C ATOM 623 O TYR A 38 25.308 32.769 22.009 1.00 0.00 O ATOM 624 CB TYR A 38 26.694 30.250 23.826 1.00 0.00 C ATOM 625 CG TYR A 38 26.511 31.226 24.936 1.00 0.00 C ATOM 626 CD1 TYR A 38 25.244 31.677 25.221 1.00 0.00 C ATOM 627 CD2 TYR A 38 27.593 31.736 25.616 1.00 0.00 C ATOM 628 CE1 TYR A 38 25.064 32.692 26.131 1.00 0.00 C ATOM 629 CE2 TYR A 38 27.412 32.761 26.515 1.00 0.00 C ATOM 630 CZ TYR A 38 26.151 33.251 26.762 1.00 0.00 C ATOM 631 OH TYR A 38 26.001 34.378 27.597 1.00 0.00 O ATOM 0 H TYR A 38 28.378 30.008 22.081 1.00 0.00 H new ATOM 0 HA TYR A 38 25.511 30.348 22.053 1.00 0.00 H new ATOM 0 HB2 TYR A 38 26.014 29.416 24.003 1.00 0.00 H new ATOM 0 HB3 TYR A 38 27.708 29.855 23.897 1.00 0.00 H new ATOM 0 HD1 TYR A 38 24.390 31.234 24.730 1.00 0.00 H new ATOM 0 HD2 TYR A 38 28.580 31.333 25.445 1.00 0.00 H new ATOM 0 HE1 TYR A 38 24.069 33.050 26.350 1.00 0.00 H new ATOM 0 HE2 TYR A 38 28.263 33.183 27.029 1.00 0.00 H new ATOM 0 HH TYR A 38 26.832 34.530 28.094 1.00 0.00 H new ATOM 641 N GLN A 39 27.512 32.904 22.430 1.00 0.00 N ATOM 642 CA GLN A 39 27.592 34.308 22.688 1.00 0.00 C ATOM 643 C GLN A 39 27.211 35.169 21.533 1.00 0.00 C ATOM 644 O GLN A 39 26.820 36.322 21.705 1.00 0.00 O ATOM 645 CB GLN A 39 29.009 34.599 23.209 1.00 0.00 C ATOM 646 CG GLN A 39 29.094 35.633 24.333 1.00 0.00 C ATOM 647 CD GLN A 39 28.900 37.080 23.901 1.00 0.00 C ATOM 648 OE1 GLN A 39 28.112 37.808 24.502 1.00 0.00 O ATOM 649 NE2 GLN A 39 29.677 37.547 22.888 1.00 0.00 N ATOM 0 H GLN A 39 28.429 32.459 22.403 1.00 0.00 H new ATOM 0 HA GLN A 39 26.848 34.570 23.440 1.00 0.00 H new ATOM 0 HB2 GLN A 39 29.447 33.666 23.563 1.00 0.00 H new ATOM 0 HB3 GLN A 39 29.621 34.942 22.375 1.00 0.00 H new ATOM 0 HG2 GLN A 39 28.342 35.391 25.084 1.00 0.00 H new ATOM 0 HG3 GLN A 39 30.067 35.542 24.815 1.00 0.00 H new ATOM 0 HE21 GLN A 39 30.321 36.919 22.408 1.00 0.00 H new ATOM 0 HE22 GLN A 39 29.616 38.526 22.608 1.00 0.00 H new ATOM 898 N SER A 54 22.313 25.212 25.426 1.00 0.00 N ATOM 899 CA SER A 54 22.458 24.710 26.758 1.00 0.00 C ATOM 900 C SER A 54 23.798 25.002 27.338 1.00 0.00 C ATOM 901 O SER A 54 24.841 24.748 26.738 1.00 0.00 O ATOM 902 CB SER A 54 22.194 23.200 26.877 1.00 0.00 C ATOM 903 OG SER A 54 20.903 22.853 26.400 1.00 0.00 O ATOM 0 HA SER A 54 21.693 25.241 27.324 1.00 0.00 H new ATOM 0 HB2 SER A 54 22.949 22.653 26.313 1.00 0.00 H new ATOM 0 HB3 SER A 54 22.291 22.895 27.919 1.00 0.00 H new ATOM 0 HG SER A 54 20.651 23.456 25.670 1.00 0.00 H new ATOM 909 N GLU A 55 23.827 25.527 28.577 1.00 0.00 N ATOM 910 CA GLU A 55 24.982 25.838 29.361 1.00 0.00 C ATOM 911 C GLU A 55 25.857 24.655 29.599 1.00 0.00 C ATOM 912 O GLU A 55 27.080 24.766 29.649 1.00 0.00 O ATOM 913 CB GLU A 55 24.596 26.530 30.678 1.00 0.00 C ATOM 914 CG GLU A 55 23.474 25.896 31.504 1.00 0.00 C ATOM 915 CD GLU A 55 22.081 26.369 31.113 1.00 0.00 C ATOM 916 OE1 GLU A 55 21.583 25.966 30.028 1.00 0.00 O ATOM 917 OE2 GLU A 55 21.475 27.180 31.862 1.00 0.00 O ATOM 0 H GLU A 55 22.964 25.753 29.072 1.00 0.00 H new ATOM 0 HA GLU A 55 25.573 26.541 28.774 1.00 0.00 H new ATOM 0 HB2 GLU A 55 25.487 26.583 31.304 1.00 0.00 H new ATOM 0 HB3 GLU A 55 24.307 27.555 30.448 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.523 24.813 31.396 1.00 0.00 H new ATOM 0 HG3 GLU A 55 23.641 26.119 32.558 1.00 0.00 H new ATOM 924 N GLU A 56 25.276 23.443 29.666 1.00 0.00 N ATOM 925 CA GLU A 56 26.004 22.215 29.753 1.00 0.00 C ATOM 926 C GLU A 56 26.833 21.881 28.562 1.00 0.00 C ATOM 927 O GLU A 56 27.811 21.148 28.701 1.00 0.00 O ATOM 928 CB GLU A 56 25.054 21.053 30.086 1.00 0.00 C ATOM 929 CG GLU A 56 24.101 20.631 28.966 1.00 0.00 C ATOM 930 CD GLU A 56 23.002 19.692 29.441 1.00 0.00 C ATOM 931 OE1 GLU A 56 22.250 20.044 30.389 1.00 0.00 O ATOM 932 OE2 GLU A 56 22.853 18.595 28.838 1.00 0.00 O ATOM 0 H GLU A 56 24.264 23.314 29.659 1.00 0.00 H new ATOM 0 HA GLU A 56 26.719 22.367 30.561 1.00 0.00 H new ATOM 0 HB2 GLU A 56 25.654 20.189 30.372 1.00 0.00 H new ATOM 0 HB3 GLU A 56 24.461 21.332 30.957 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.647 21.520 28.529 1.00 0.00 H new ATOM 0 HG3 GLU A 56 24.672 20.143 28.176 1.00 0.00 H new ATOM 939 N GLU A 57 26.517 22.360 27.345 1.00 0.00 N ATOM 940 CA GLU A 57 27.217 21.965 26.162 1.00 0.00 C ATOM 941 C GLU A 57 28.453 22.774 25.961 1.00 0.00 C ATOM 942 O GLU A 57 29.494 22.299 25.512 1.00 0.00 O ATOM 943 CB GLU A 57 26.374 21.898 24.878 1.00 0.00 C ATOM 944 CG GLU A 57 26.526 23.061 23.897 1.00 0.00 C ATOM 945 CD GLU A 57 25.889 22.741 22.551 1.00 0.00 C ATOM 946 OE1 GLU A 57 24.663 22.458 22.477 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.636 22.739 21.536 1.00 0.00 O ATOM 0 H GLU A 57 25.766 23.030 27.180 1.00 0.00 H new ATOM 0 HA GLU A 57 27.496 20.929 26.353 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.624 20.976 24.354 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.324 21.828 25.163 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.064 23.955 24.316 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.584 23.284 23.757 1.00 0.00 H new ATOM 954 N VAL A 58 28.361 24.076 26.285 1.00 0.00 N ATOM 955 CA VAL A 58 29.412 25.020 26.062 1.00 0.00 C ATOM 956 C VAL A 58 30.553 24.761 26.985 1.00 0.00 C ATOM 957 O VAL A 58 31.733 24.833 26.643 1.00 0.00 O ATOM 958 CB VAL A 58 28.816 26.397 26.080 1.00 0.00 C ATOM 959 CG1 VAL A 58 28.796 27.048 27.473 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.619 27.296 25.126 1.00 0.00 C ATOM 0 H VAL A 58 27.531 24.484 26.715 1.00 0.00 H new ATOM 0 HA VAL A 58 29.870 24.915 25.078 1.00 0.00 H new ATOM 0 HB VAL A 58 27.777 26.293 25.767 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.351 28.041 27.404 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.208 26.433 28.154 1.00 0.00 H new ATOM 0 HG13 VAL A 58 29.815 27.133 27.850 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.196 28.300 25.130 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.658 27.339 25.454 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.574 26.887 24.117 1.00 0.00 H new ATOM 970 N PHE A 59 30.167 24.284 28.181 1.00 0.00 N ATOM 971 CA PHE A 59 30.951 23.566 29.138 1.00 0.00 C ATOM 972 C PHE A 59 31.551 22.320 28.585 1.00 0.00 C ATOM 973 O PHE A 59 32.767 22.145 28.609 1.00 0.00 O ATOM 974 CB PHE A 59 30.040 23.288 30.346 1.00 0.00 C ATOM 975 CG PHE A 59 30.561 22.417 31.437 1.00 0.00 C ATOM 976 CD1 PHE A 59 31.648 22.792 32.191 1.00 0.00 C ATOM 977 CD2 PHE A 59 29.888 21.265 31.769 1.00 0.00 C ATOM 978 CE1 PHE A 59 32.074 22.021 33.246 1.00 0.00 C ATOM 979 CE2 PHE A 59 30.298 20.496 32.832 1.00 0.00 C ATOM 980 CZ PHE A 59 31.399 20.866 33.568 1.00 0.00 C ATOM 0 H PHE A 59 29.210 24.415 28.509 1.00 0.00 H new ATOM 0 HA PHE A 59 31.811 24.167 29.435 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.770 24.248 30.787 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.120 22.839 29.972 1.00 0.00 H new ATOM 0 HD1 PHE A 59 32.174 23.704 31.951 1.00 0.00 H new ATOM 0 HD2 PHE A 59 29.029 20.961 31.189 1.00 0.00 H new ATOM 0 HE1 PHE A 59 32.937 22.321 33.821 1.00 0.00 H new ATOM 0 HE2 PHE A 59 29.754 19.599 33.090 1.00 0.00 H new ATOM 0 HZ PHE A 59 31.732 20.254 34.393 1.00 0.00 H new ATOM 990 N THR A 60 30.743 21.391 28.041 1.00 0.00 N ATOM 991 CA THR A 60 31.165 20.129 27.517 1.00 0.00 C ATOM 992 C THR A 60 32.226 20.156 26.472 1.00 0.00 C ATOM 993 O THR A 60 33.198 19.406 26.551 1.00 0.00 O ATOM 994 CB THR A 60 30.034 19.220 27.136 1.00 0.00 C ATOM 995 OG1 THR A 60 30.211 17.933 27.710 1.00 0.00 O ATOM 996 CG2 THR A 60 29.819 19.013 25.627 1.00 0.00 C ATOM 0 H THR A 60 29.736 21.530 27.963 1.00 0.00 H new ATOM 0 HA THR A 60 31.661 19.695 28.385 1.00 0.00 H new ATOM 0 HB THR A 60 29.155 19.737 27.520 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.463 17.354 27.452 1.00 0.00 H new ATOM 0 HG21 THR A 60 28.977 18.339 25.469 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.610 19.973 25.154 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.718 18.580 25.187 1.00 0.00 H new ATOM 1004 N GLU A 61 32.118 21.032 25.457 1.00 0.00 N ATOM 1005 CA GLU A 61 33.084 21.083 24.404 1.00 0.00 C ATOM 1006 C GLU A 61 34.361 21.756 24.774 1.00 0.00 C ATOM 1007 O GLU A 61 35.382 21.492 24.142 1.00 0.00 O ATOM 1008 CB GLU A 61 32.536 21.542 23.042 1.00 0.00 C ATOM 1009 CG GLU A 61 31.500 20.597 22.430 1.00 0.00 C ATOM 1010 CD GLU A 61 31.274 20.867 20.950 1.00 0.00 C ATOM 1011 OE1 GLU A 61 32.216 20.653 20.140 1.00 0.00 O ATOM 1012 OE2 GLU A 61 30.133 21.237 20.562 1.00 0.00 O ATOM 0 H GLU A 61 31.359 21.707 25.366 1.00 0.00 H new ATOM 0 HA GLU A 61 33.341 20.034 24.258 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.087 22.529 23.158 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.368 21.650 22.346 1.00 0.00 H new ATOM 0 HG2 GLU A 61 31.829 19.566 22.563 1.00 0.00 H new ATOM 0 HG3 GLU A 61 30.556 20.702 22.964 1.00 0.00 H new ATOM 1019 N VAL A 62 34.406 22.584 25.834 1.00 0.00 N ATOM 1020 CA VAL A 62 35.600 23.108 26.421 1.00 0.00 C ATOM 1021 C VAL A 62 36.366 22.090 27.196 1.00 0.00 C ATOM 1022 O VAL A 62 37.595 22.093 27.243 1.00 0.00 O ATOM 1023 CB VAL A 62 35.216 24.216 27.357 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.292 24.638 28.372 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.815 25.409 26.474 1.00 0.00 C ATOM 0 H VAL A 62 33.561 22.905 26.307 1.00 0.00 H new ATOM 0 HA VAL A 62 36.240 23.452 25.608 1.00 0.00 H new ATOM 0 HB VAL A 62 34.404 23.851 27.986 1.00 0.00 H new ATOM 0 HG11 VAL A 62 35.907 25.444 28.996 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.554 23.786 29.000 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.179 24.983 27.840 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.525 26.248 27.106 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.660 25.700 25.850 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.976 25.126 25.839 1.00 0.00 H new ATOM 1035 N ALA A 63 35.626 21.151 27.811 1.00 0.00 N ATOM 1036 CA ALA A 63 36.117 20.263 28.819 1.00 0.00 C ATOM 1037 C ALA A 63 37.073 19.275 28.243 1.00 0.00 C ATOM 1038 O ALA A 63 37.988 18.813 28.923 1.00 0.00 O ATOM 1039 CB ALA A 63 34.976 19.484 29.496 1.00 0.00 C ATOM 0 H ALA A 63 34.640 21.004 27.596 1.00 0.00 H new ATOM 0 HA ALA A 63 36.621 20.886 29.558 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.389 18.820 30.255 1.00 0.00 H new ATOM 0 HB2 ALA A 63 34.285 20.185 29.964 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.445 18.894 28.749 1.00 0.00 H new ATOM 1045 N ASN A 64 36.939 18.965 26.941 1.00 0.00 N ATOM 1046 CA ASN A 64 37.855 18.055 26.328 1.00 0.00 C ATOM 1047 C ASN A 64 39.218 18.643 26.184 1.00 0.00 C ATOM 1048 O ASN A 64 40.225 17.936 26.179 1.00 0.00 O ATOM 1049 CB ASN A 64 37.460 17.580 24.919 1.00 0.00 C ATOM 1050 CG ASN A 64 35.950 17.440 24.794 1.00 0.00 C ATOM 1051 OD1 ASN A 64 35.360 18.461 24.115 1.00 0.00 O flip ATOM 1052 ND2 ASN A 64 35.310 16.514 25.290 1.00 0.00 N flip ATOM 0 H ASN A 64 36.215 19.334 26.325 1.00 0.00 H new ATOM 0 HA ASN A 64 37.836 17.207 27.013 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.826 18.289 24.176 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.936 16.623 24.707 1.00 0.00 H new ATOM 0 HD21 ASN A 64 35.795 15.769 25.791 1.00 0.00 H new ATOM 0 HD22 ASN A 64 34.294 16.491 25.201 1.00 0.00 H new ATOM 1059 N LEU A 65 39.296 19.978 26.041 1.00 0.00 N ATOM 1060 CA LEU A 65 40.531 20.677 25.872 1.00 0.00 C ATOM 1061 C LEU A 65 41.208 20.889 27.182 1.00 0.00 C ATOM 1062 O LEU A 65 42.426 21.017 27.295 1.00 0.00 O ATOM 1063 CB LEU A 65 40.353 22.045 25.191 1.00 0.00 C ATOM 1064 CG LEU A 65 39.706 22.044 23.796 1.00 0.00 C ATOM 1065 CD1 LEU A 65 38.212 21.687 23.844 1.00 0.00 C ATOM 1066 CD2 LEU A 65 39.896 23.409 23.111 1.00 0.00 C ATOM 0 H LEU A 65 38.478 20.587 26.043 1.00 0.00 H new ATOM 0 HA LEU A 65 41.142 20.046 25.227 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.750 22.675 25.845 1.00 0.00 H new ATOM 0 HB3 LEU A 65 41.333 22.515 25.111 1.00 0.00 H new ATOM 0 HG LEU A 65 40.210 21.272 23.215 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.802 21.700 22.834 1.00 0.00 H new ATOM 0 HD12 LEU A 65 38.089 20.692 24.273 1.00 0.00 H new ATOM 0 HD13 LEU A 65 37.684 22.415 24.459 1.00 0.00 H new ATOM 0 HD21 LEU A 65 39.432 23.389 22.125 1.00 0.00 H new ATOM 0 HD22 LEU A 65 39.431 24.187 23.716 1.00 0.00 H new ATOM 0 HD23 LEU A 65 40.961 23.619 23.006 1.00 0.00 H new ATOM 1078 N PHE A 66 40.381 20.950 28.242 1.00 0.00 N ATOM 1079 CA PHE A 66 40.725 21.402 29.554 1.00 0.00 C ATOM 1080 C PHE A 66 40.975 20.270 30.489 1.00 0.00 C ATOM 1081 O PHE A 66 41.326 20.472 31.650 1.00 0.00 O ATOM 1082 CB PHE A 66 39.558 22.234 30.115 1.00 0.00 C ATOM 1083 CG PHE A 66 39.657 23.696 29.850 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.155 24.208 28.675 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.206 24.570 30.810 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.208 25.565 28.462 1.00 0.00 C ATOM 1087 CE2 PHE A 66 39.266 25.930 30.618 1.00 0.00 C ATOM 1088 CZ PHE A 66 39.773 26.428 29.440 1.00 0.00 C ATOM 0 H PHE A 66 39.404 20.663 28.176 1.00 0.00 H new ATOM 0 HA PHE A 66 41.639 21.991 29.472 1.00 0.00 H new ATOM 0 HB2 PHE A 66 38.626 21.863 29.689 1.00 0.00 H new ATOM 0 HB3 PHE A 66 39.501 22.076 31.192 1.00 0.00 H new ATOM 0 HD1 PHE A 66 40.509 23.535 27.909 1.00 0.00 H new ATOM 0 HD2 PHE A 66 38.797 24.182 31.731 1.00 0.00 H new ATOM 0 HE1 PHE A 66 40.590 25.952 27.529 1.00 0.00 H new ATOM 0 HE2 PHE A 66 38.917 26.603 31.387 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.829 27.495 29.284 1.00 0.00 H new ATOM 1098 N ARG A 67 40.764 19.029 30.015 1.00 0.00 N ATOM 1099 CA ARG A 67 40.542 17.855 30.800 1.00 0.00 C ATOM 1100 C ARG A 67 41.607 17.467 31.769 1.00 0.00 C ATOM 1101 O ARG A 67 42.784 17.346 31.435 1.00 0.00 O ATOM 1102 CB ARG A 67 40.289 16.696 29.820 1.00 0.00 C ATOM 1103 CG ARG A 67 39.356 15.617 30.376 1.00 0.00 C ATOM 1104 CD ARG A 67 39.129 14.452 29.411 1.00 0.00 C ATOM 1105 NE ARG A 67 38.126 13.574 30.076 1.00 0.00 N ATOM 1106 CZ ARG A 67 38.226 12.222 30.241 1.00 0.00 C ATOM 1107 NH1 ARG A 67 39.296 11.484 29.826 1.00 0.00 N ATOM 1108 NH2 ARG A 67 37.198 11.580 30.869 1.00 0.00 N ATOM 0 H ARG A 67 40.748 18.834 29.014 1.00 0.00 H new ATOM 0 HA ARG A 67 39.694 18.086 31.445 1.00 0.00 H new ATOM 0 HB2 ARG A 67 39.862 17.095 28.900 1.00 0.00 H new ATOM 0 HB3 ARG A 67 41.243 16.239 29.556 1.00 0.00 H new ATOM 0 HG2 ARG A 67 39.772 15.232 31.307 1.00 0.00 H new ATOM 0 HG3 ARG A 67 38.395 16.069 30.620 1.00 0.00 H new ATOM 0 HD2 ARG A 67 38.763 14.806 28.447 1.00 0.00 H new ATOM 0 HD3 ARG A 67 40.057 13.913 29.221 1.00 0.00 H new ATOM 0 HE ARG A 67 37.287 14.024 30.442 1.00 0.00 H new ATOM 0 HH11 ARG A 67 40.082 11.941 29.363 1.00 0.00 H new ATOM 0 HH12 ARG A 67 39.310 10.476 29.979 1.00 0.00 H new ATOM 0 HH21 ARG A 67 36.390 12.110 31.197 1.00 0.00 H new ATOM 0 HH22 ARG A 67 37.237 10.571 31.010 1.00 0.00 H new ATOM 1122 N GLY A 68 41.200 17.251 33.033 1.00 0.00 N ATOM 1123 CA GLY A 68 42.061 16.916 34.124 1.00 0.00 C ATOM 1124 C GLY A 68 42.296 18.059 35.050 1.00 0.00 C ATOM 1125 O GLY A 68 42.466 17.853 36.251 1.00 0.00 O ATOM 0 H GLY A 68 40.220 17.313 33.307 1.00 0.00 H new ATOM 0 HA2 GLY A 68 41.626 16.087 34.682 1.00 0.00 H new ATOM 0 HA3 GLY A 68 43.017 16.570 33.732 1.00 0.00 H new ATOM 1129 N GLN A 69 42.322 19.302 34.537 1.00 0.00 N ATOM 1130 CA GLN A 69 42.655 20.454 35.315 1.00 0.00 C ATOM 1131 C GLN A 69 41.453 21.066 35.947 1.00 0.00 C ATOM 1132 O GLN A 69 40.855 22.033 35.479 1.00 0.00 O ATOM 1133 CB GLN A 69 43.429 21.537 34.545 1.00 0.00 C ATOM 1134 CG GLN A 69 44.644 21.010 33.779 1.00 0.00 C ATOM 1135 CD GLN A 69 45.500 22.095 33.142 1.00 0.00 C ATOM 1136 OE1 GLN A 69 46.717 22.132 33.319 1.00 0.00 O ATOM 1137 NE2 GLN A 69 44.883 22.990 32.325 1.00 0.00 N ATOM 0 H GLN A 69 42.107 19.511 33.562 1.00 0.00 H new ATOM 0 HA GLN A 69 43.322 20.070 36.087 1.00 0.00 H new ATOM 0 HB2 GLN A 69 42.752 22.022 33.842 1.00 0.00 H new ATOM 0 HB3 GLN A 69 43.760 22.302 35.248 1.00 0.00 H new ATOM 0 HG2 GLN A 69 45.264 20.427 34.460 1.00 0.00 H new ATOM 0 HG3 GLN A 69 44.301 20.330 33.000 1.00 0.00 H new ATOM 0 HE21 GLN A 69 43.873 22.945 32.190 1.00 0.00 H new ATOM 0 HE22 GLN A 69 45.430 23.706 31.848 1.00 0.00 H new ATOM 1146 N GLU A 70 41.068 20.493 37.102 1.00 0.00 N ATOM 1147 CA GLU A 70 39.880 20.783 37.842 1.00 0.00 C ATOM 1148 C GLU A 70 39.800 22.153 38.425 1.00 0.00 C ATOM 1149 O GLU A 70 38.698 22.657 38.635 1.00 0.00 O ATOM 1150 CB GLU A 70 39.697 19.751 38.969 1.00 0.00 C ATOM 1151 CG GLU A 70 39.334 18.368 38.425 1.00 0.00 C ATOM 1152 CD GLU A 70 39.172 17.362 39.555 1.00 0.00 C ATOM 1153 OE1 GLU A 70 38.425 17.650 40.528 1.00 0.00 O ATOM 1154 OE2 GLU A 70 39.781 16.263 39.455 1.00 0.00 O ATOM 0 H GLU A 70 41.632 19.772 37.551 1.00 0.00 H new ATOM 0 HA GLU A 70 39.079 20.728 37.105 1.00 0.00 H new ATOM 0 HB2 GLU A 70 40.616 19.682 39.551 1.00 0.00 H new ATOM 0 HB3 GLU A 70 38.915 20.090 39.648 1.00 0.00 H new ATOM 0 HG2 GLU A 70 38.408 18.430 37.853 1.00 0.00 H new ATOM 0 HG3 GLU A 70 40.110 18.028 37.739 1.00 0.00 H new ATOM 1161 N ASP A 71 40.936 22.832 38.657 1.00 0.00 N ATOM 1162 CA ASP A 71 41.010 24.165 39.172 1.00 0.00 C ATOM 1163 C ASP A 71 40.209 25.121 38.356 1.00 0.00 C ATOM 1164 O ASP A 71 39.415 25.918 38.854 1.00 0.00 O ATOM 1165 CB ASP A 71 42.463 24.666 39.221 1.00 0.00 C ATOM 1166 CG ASP A 71 43.361 23.712 39.996 1.00 0.00 C ATOM 1167 OD1 ASP A 71 43.031 23.369 41.163 1.00 0.00 O ATOM 1168 OD2 ASP A 71 44.393 23.268 39.425 1.00 0.00 O ATOM 0 H ASP A 71 41.855 22.429 38.475 1.00 0.00 H new ATOM 0 HA ASP A 71 40.600 24.124 40.181 1.00 0.00 H new ATOM 0 HB2 ASP A 71 42.843 24.780 38.206 1.00 0.00 H new ATOM 0 HB3 ASP A 71 42.493 25.652 39.685 1.00 0.00 H new ATOM 1173 N LEU A 72 40.346 25.023 37.022 1.00 0.00 N ATOM 1174 CA LEU A 72 39.675 25.885 36.098 1.00 0.00 C ATOM 1175 C LEU A 72 38.219 25.606 35.946 1.00 0.00 C ATOM 1176 O LEU A 72 37.413 26.534 35.920 1.00 0.00 O ATOM 1177 CB LEU A 72 40.410 25.859 34.747 1.00 0.00 C ATOM 1178 CG LEU A 72 41.901 26.223 34.840 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.500 26.199 33.424 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.177 27.597 35.473 1.00 0.00 C ATOM 0 H LEU A 72 40.939 24.325 36.573 1.00 0.00 H new ATOM 0 HA LEU A 72 39.713 26.891 36.515 1.00 0.00 H new ATOM 0 HB2 LEU A 72 40.316 24.864 34.313 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.919 26.552 34.064 1.00 0.00 H new ATOM 0 HG LEU A 72 42.362 25.485 35.496 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.558 26.455 33.472 1.00 0.00 H new ATOM 0 HD12 LEU A 72 42.387 25.202 32.998 1.00 0.00 H new ATOM 0 HD13 LEU A 72 41.980 26.923 32.797 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.252 27.776 35.501 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.695 28.374 34.880 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.780 27.616 36.488 1.00 0.00 H new ATOM 1192 N LEU A 73 37.759 24.346 35.872 1.00 0.00 N ATOM 1193 CA LEU A 73 36.367 24.047 35.724 1.00 0.00 C ATOM 1194 C LEU A 73 35.566 24.358 36.940 1.00 0.00 C ATOM 1195 O LEU A 73 34.368 24.634 36.892 1.00 0.00 O ATOM 1196 CB LEU A 73 36.101 22.572 35.379 1.00 0.00 C ATOM 1197 CG LEU A 73 36.496 22.139 33.957 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.903 23.050 32.867 1.00 0.00 C ATOM 1199 CD2 LEU A 73 38.019 21.997 33.803 1.00 0.00 C ATOM 0 H LEU A 73 38.359 23.523 35.915 1.00 0.00 H new ATOM 0 HA LEU A 73 36.057 24.689 34.899 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.640 21.948 36.092 1.00 0.00 H new ATOM 0 HB3 LEU A 73 35.039 22.371 35.519 1.00 0.00 H new ATOM 0 HG LEU A 73 36.056 21.153 33.810 1.00 0.00 H new ATOM 0 HD11 LEU A 73 36.217 22.694 31.885 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.815 23.031 32.929 1.00 0.00 H new ATOM 0 HD13 LEU A 73 36.257 24.070 33.013 1.00 0.00 H new ATOM 0 HD21 LEU A 73 38.255 21.690 32.784 1.00 0.00 H new ATOM 0 HD22 LEU A 73 38.497 22.954 34.013 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.387 21.246 34.503 1.00 0.00 H new ATOM 1211 N SER A 74 36.244 24.385 38.101 1.00 0.00 N ATOM 1212 CA SER A 74 35.695 24.762 39.365 1.00 0.00 C ATOM 1213 C SER A 74 35.283 26.195 39.374 1.00 0.00 C ATOM 1214 O SER A 74 34.172 26.564 39.749 1.00 0.00 O ATOM 1215 CB SER A 74 36.662 24.565 40.545 1.00 0.00 C ATOM 1216 OG SER A 74 37.049 23.205 40.674 1.00 0.00 O ATOM 0 H SER A 74 37.230 24.129 38.160 1.00 0.00 H new ATOM 0 HA SER A 74 34.839 24.100 39.495 1.00 0.00 H new ATOM 0 HB2 SER A 74 37.547 25.185 40.400 1.00 0.00 H new ATOM 0 HB3 SER A 74 36.186 24.899 41.467 1.00 0.00 H new ATOM 0 HG SER A 74 37.834 23.034 40.113 1.00 0.00 H new ATOM 1222 N GLU A 75 36.182 27.076 38.898 1.00 0.00 N ATOM 1223 CA GLU A 75 35.923 28.476 38.766 1.00 0.00 C ATOM 1224 C GLU A 75 35.025 28.829 37.631 1.00 0.00 C ATOM 1225 O GLU A 75 34.341 29.849 37.683 1.00 0.00 O ATOM 1226 CB GLU A 75 37.241 29.266 38.692 1.00 0.00 C ATOM 1227 CG GLU A 75 38.045 29.141 39.987 1.00 0.00 C ATOM 1228 CD GLU A 75 39.221 30.103 40.091 1.00 0.00 C ATOM 1229 OE1 GLU A 75 39.483 30.913 39.163 1.00 0.00 O ATOM 1230 OE2 GLU A 75 39.903 30.072 41.151 1.00 0.00 O ATOM 0 H GLU A 75 37.118 26.805 38.596 1.00 0.00 H new ATOM 0 HA GLU A 75 35.378 28.763 39.665 1.00 0.00 H new ATOM 0 HB2 GLU A 75 37.838 28.902 37.856 1.00 0.00 H new ATOM 0 HB3 GLU A 75 37.026 30.317 38.496 1.00 0.00 H new ATOM 0 HG2 GLU A 75 37.378 29.309 40.832 1.00 0.00 H new ATOM 0 HG3 GLU A 75 38.417 28.120 40.072 1.00 0.00 H new ATOM 1237 N PHE A 76 34.927 27.955 36.612 1.00 0.00 N ATOM 1238 CA PHE A 76 34.011 28.064 35.519 1.00 0.00 C ATOM 1239 C PHE A 76 32.592 28.006 35.967 1.00 0.00 C ATOM 1240 O PHE A 76 31.701 28.640 35.404 1.00 0.00 O ATOM 1241 CB PHE A 76 34.293 26.930 34.518 1.00 0.00 C ATOM 1242 CG PHE A 76 33.762 27.119 33.139 1.00 0.00 C ATOM 1243 CD1 PHE A 76 34.457 27.865 32.216 1.00 0.00 C ATOM 1244 CD2 PHE A 76 32.642 26.434 32.731 1.00 0.00 C ATOM 1245 CE1 PHE A 76 34.072 27.894 30.896 1.00 0.00 C ATOM 1246 CE2 PHE A 76 32.242 26.467 31.416 1.00 0.00 C ATOM 1247 CZ PHE A 76 32.967 27.181 30.492 1.00 0.00 C ATOM 0 H PHE A 76 35.520 27.127 36.548 1.00 0.00 H new ATOM 0 HA PHE A 76 34.158 29.035 35.047 1.00 0.00 H new ATOM 0 HB2 PHE A 76 35.372 26.792 34.453 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.877 26.007 34.921 1.00 0.00 H new ATOM 0 HD1 PHE A 76 35.317 28.436 32.532 1.00 0.00 H new ATOM 0 HD2 PHE A 76 32.071 25.865 33.450 1.00 0.00 H new ATOM 0 HE1 PHE A 76 34.635 28.474 30.180 1.00 0.00 H new ATOM 0 HE2 PHE A 76 31.356 25.931 31.108 1.00 0.00 H new ATOM 0 HZ PHE A 76 32.671 27.182 29.453 1.00 0.00 H new ATOM 1257 N GLY A 77 32.333 27.282 37.070 1.00 0.00 N ATOM 1258 CA GLY A 77 31.029 27.046 37.607 1.00 0.00 C ATOM 1259 C GLY A 77 30.396 28.224 38.265 1.00 0.00 C ATOM 1260 O GLY A 77 29.180 28.270 38.444 1.00 0.00 O ATOM 0 H GLY A 77 33.072 26.838 37.615 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.378 26.705 36.803 1.00 0.00 H new ATOM 0 HA3 GLY A 77 31.092 26.234 38.332 1.00 0.00 H new ATOM 1264 N GLN A 78 31.183 29.247 38.642 1.00 0.00 N ATOM 1265 CA GLN A 78 30.691 30.409 39.315 1.00 0.00 C ATOM 1266 C GLN A 78 30.093 31.409 38.386 1.00 0.00 C ATOM 1267 O GLN A 78 29.259 32.227 38.770 1.00 0.00 O ATOM 1268 CB GLN A 78 31.815 31.058 40.141 1.00 0.00 C ATOM 1269 CG GLN A 78 32.437 30.016 41.073 1.00 0.00 C ATOM 1270 CD GLN A 78 33.041 30.668 42.308 1.00 0.00 C ATOM 1271 OE1 GLN A 78 32.494 30.536 43.402 1.00 0.00 O ATOM 1272 NE2 GLN A 78 34.150 31.436 42.130 1.00 0.00 N ATOM 0 H GLN A 78 32.189 29.267 38.474 1.00 0.00 H new ATOM 0 HA GLN A 78 29.891 30.076 39.977 1.00 0.00 H new ATOM 0 HB2 GLN A 78 32.577 31.468 39.478 1.00 0.00 H new ATOM 0 HB3 GLN A 78 31.418 31.890 40.723 1.00 0.00 H new ATOM 0 HG2 GLN A 78 31.677 29.295 41.375 1.00 0.00 H new ATOM 0 HG3 GLN A 78 33.208 29.461 40.538 1.00 0.00 H new ATOM 0 HE21 GLN A 78 34.571 31.517 41.204 1.00 0.00 H new ATOM 0 HE22 GLN A 78 34.560 31.931 42.922 1.00 0.00 H new ATOM 1466 N ASN B 201 28.336 35.199 34.045 1.00 0.00 N ATOM 1467 CA ASN B 201 27.955 34.492 32.861 1.00 0.00 C ATOM 1468 C ASN B 201 29.086 34.330 31.906 1.00 0.00 C ATOM 1469 O ASN B 201 30.116 34.999 31.979 1.00 0.00 O ATOM 1470 CB ASN B 201 26.652 35.038 32.254 1.00 0.00 C ATOM 1471 CG ASN B 201 25.874 34.041 31.410 1.00 0.00 C ATOM 1472 OD1 ASN B 201 26.205 32.860 31.300 1.00 0.00 O ATOM 1473 ND2 ASN B 201 24.775 34.529 30.774 1.00 0.00 N ATOM 0 HA ASN B 201 27.709 33.470 33.149 1.00 0.00 H new ATOM 0 HB2 ASN B 201 26.010 35.387 33.062 1.00 0.00 H new ATOM 0 HB3 ASN B 201 26.890 35.906 31.639 1.00 0.00 H new ATOM 0 HD21 ASN B 201 24.207 33.913 30.192 1.00 0.00 H new ATOM 0 HD22 ASN B 201 24.519 35.511 30.879 1.00 0.00 H new ATOM 1480 N ILE B 202 28.970 33.400 30.940 1.00 0.00 N ATOM 1481 CA ILE B 202 29.993 33.029 30.014 1.00 0.00 C ATOM 1482 C ILE B 202 30.384 34.139 29.101 1.00 0.00 C ATOM 1483 O ILE B 202 31.517 34.213 28.631 1.00 0.00 O ATOM 1484 CB ILE B 202 29.611 31.764 29.301 1.00 0.00 C ATOM 1485 CG1 ILE B 202 29.679 30.536 30.224 1.00 0.00 C ATOM 1486 CG2 ILE B 202 30.409 31.527 28.008 1.00 0.00 C ATOM 1487 CD1 ILE B 202 31.048 29.898 30.454 1.00 0.00 C ATOM 0 H ILE B 202 28.107 32.875 30.798 1.00 0.00 H new ATOM 0 HA ILE B 202 30.902 32.821 30.579 1.00 0.00 H new ATOM 0 HB ILE B 202 28.572 31.904 29.003 1.00 0.00 H new ATOM 0 HG12 ILE B 202 29.275 30.823 31.195 1.00 0.00 H new ATOM 0 HG13 ILE B 202 29.017 29.772 29.816 1.00 0.00 H new ATOM 0 HG21 ILE B 202 30.082 30.596 27.544 1.00 0.00 H new ATOM 0 HG22 ILE B 202 30.240 32.355 27.319 1.00 0.00 H new ATOM 0 HG23 ILE B 202 31.471 31.462 28.243 1.00 0.00 H new ATOM 0 HD11 ILE B 202 30.944 29.045 31.124 1.00 0.00 H new ATOM 0 HD12 ILE B 202 31.458 29.563 29.501 1.00 0.00 H new ATOM 0 HD13 ILE B 202 31.720 30.630 30.901 1.00 0.00 H new ATOM 1499 N GLN B 203 29.499 35.122 28.852 1.00 0.00 N ATOM 1500 CA GLN B 203 29.775 36.292 28.078 1.00 0.00 C ATOM 1501 C GLN B 203 30.952 37.098 28.505 1.00 0.00 C ATOM 1502 O GLN B 203 31.696 37.622 27.678 1.00 0.00 O ATOM 1503 CB GLN B 203 28.520 37.170 27.936 1.00 0.00 C ATOM 1504 CG GLN B 203 28.032 37.927 29.173 1.00 0.00 C ATOM 1505 CD GLN B 203 28.541 39.346 29.383 1.00 0.00 C ATOM 1506 OE1 GLN B 203 29.145 40.002 28.357 1.00 0.00 O flip ATOM 1507 NE2 GLN B 203 28.351 39.909 30.460 1.00 0.00 N flip ATOM 0 H GLN B 203 28.544 35.099 29.209 1.00 0.00 H new ATOM 0 HA GLN B 203 30.065 35.902 27.102 1.00 0.00 H new ATOM 0 HB2 GLN B 203 28.710 37.901 27.150 1.00 0.00 H new ATOM 0 HB3 GLN B 203 27.705 36.535 27.590 1.00 0.00 H new ATOM 0 HG2 GLN B 203 26.943 37.964 29.135 1.00 0.00 H new ATOM 0 HG3 GLN B 203 28.301 37.341 30.052 1.00 0.00 H new ATOM 0 HE21 GLN B 203 27.897 39.408 31.224 1.00 0.00 H new ATOM 0 HE22 GLN B 203 28.647 40.876 30.589 1.00 0.00 H new ATOM 1516 N MET B 204 31.213 37.168 29.823 1.00 0.00 N ATOM 1517 CA MET B 204 32.329 37.839 30.413 1.00 0.00 C ATOM 1518 C MET B 204 33.657 37.295 30.009 1.00 0.00 C ATOM 1519 O MET B 204 34.643 38.030 29.951 1.00 0.00 O ATOM 1520 CB MET B 204 32.234 37.787 31.947 1.00 0.00 C ATOM 1521 CG MET B 204 31.131 38.690 32.502 1.00 0.00 C ATOM 1522 SD MET B 204 31.506 40.467 32.421 1.00 0.00 S ATOM 1523 CE MET B 204 32.200 40.527 34.099 1.00 0.00 C ATOM 0 H MET B 204 30.608 36.730 30.517 1.00 0.00 H new ATOM 0 HA MET B 204 32.272 38.863 30.043 1.00 0.00 H new ATOM 0 HB2 MET B 204 32.049 36.760 32.261 1.00 0.00 H new ATOM 0 HB3 MET B 204 33.191 38.084 32.376 1.00 0.00 H new ATOM 0 HG2 MET B 204 30.210 38.500 31.951 1.00 0.00 H new ATOM 0 HG3 MET B 204 30.943 38.417 33.540 1.00 0.00 H new ATOM 0 HE1 MET B 204 32.425 41.560 34.363 1.00 0.00 H new ATOM 0 HE2 MET B 204 31.477 40.121 34.807 1.00 0.00 H new ATOM 0 HE3 MET B 204 33.115 39.935 34.136 1.00 0.00 H new ATOM 1533 N LEU B 205 33.739 35.997 29.667 1.00 0.00 N ATOM 1534 CA LEU B 205 34.933 35.358 29.209 1.00 0.00 C ATOM 1535 C LEU B 205 35.449 35.888 27.915 1.00 0.00 C ATOM 1536 O LEU B 205 36.654 35.980 27.688 1.00 0.00 O ATOM 1537 CB LEU B 205 34.756 33.834 29.096 1.00 0.00 C ATOM 1538 CG LEU B 205 34.577 33.094 30.432 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.449 31.580 30.194 1.00 0.00 C ATOM 1540 CD2 LEU B 205 35.760 33.392 31.370 1.00 0.00 C ATOM 0 H LEU B 205 32.939 35.366 29.712 1.00 0.00 H new ATOM 0 HA LEU B 205 35.676 35.589 29.973 1.00 0.00 H new ATOM 0 HB2 LEU B 205 33.889 33.631 28.468 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.625 33.421 28.584 1.00 0.00 H new ATOM 0 HG LEU B 205 33.661 33.448 30.905 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.323 31.071 31.150 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.584 31.383 29.561 1.00 0.00 H new ATOM 0 HD13 LEU B 205 35.349 31.212 29.703 1.00 0.00 H new ATOM 0 HD21 LEU B 205 35.620 32.862 32.312 1.00 0.00 H new ATOM 0 HD22 LEU B 205 36.687 33.062 30.902 1.00 0.00 H new ATOM 0 HD23 LEU B 205 35.812 34.464 31.561 1.00 0.00 H new ATOM 1552 N LEU B 206 34.521 36.258 27.015 1.00 0.00 N ATOM 1553 CA LEU B 206 34.849 36.665 25.683 1.00 0.00 C ATOM 1554 C LEU B 206 35.247 38.099 25.646 1.00 0.00 C ATOM 1555 O LEU B 206 35.902 38.562 24.713 1.00 0.00 O ATOM 1556 CB LEU B 206 33.728 36.198 24.739 1.00 0.00 C ATOM 1557 CG LEU B 206 33.356 34.725 24.979 1.00 0.00 C ATOM 1558 CD1 LEU B 206 32.464 34.178 23.850 1.00 0.00 C ATOM 1559 CD2 LEU B 206 34.576 33.811 25.181 1.00 0.00 C ATOM 0 H LEU B 206 33.521 36.275 27.216 1.00 0.00 H new ATOM 0 HA LEU B 206 35.747 36.177 25.303 1.00 0.00 H new ATOM 0 HB2 LEU B 206 32.847 36.824 24.883 1.00 0.00 H new ATOM 0 HB3 LEU B 206 34.046 36.329 23.705 1.00 0.00 H new ATOM 0 HG LEU B 206 32.794 34.715 25.913 1.00 0.00 H new ATOM 0 HD11 LEU B 206 32.220 33.135 24.052 1.00 0.00 H new ATOM 0 HD12 LEU B 206 31.545 34.762 23.797 1.00 0.00 H new ATOM 0 HD13 LEU B 206 32.994 34.250 22.900 1.00 0.00 H new ATOM 0 HD21 LEU B 206 34.240 32.787 25.345 1.00 0.00 H new ATOM 0 HD22 LEU B 206 35.209 33.848 24.294 1.00 0.00 H new ATOM 0 HD23 LEU B 206 35.145 34.149 26.047 1.00 0.00 H new ATOM 1571 N GLU B 207 34.908 38.834 26.721 1.00 0.00 N ATOM 1572 CA GLU B 207 35.326 40.183 26.943 1.00 0.00 C ATOM 1573 C GLU B 207 36.701 40.192 27.516 1.00 0.00 C ATOM 1574 O GLU B 207 37.624 40.787 26.964 1.00 0.00 O ATOM 1575 CB GLU B 207 34.356 40.905 27.894 1.00 0.00 C ATOM 1576 CG GLU B 207 32.966 41.196 27.325 1.00 0.00 C ATOM 1577 CD GLU B 207 32.864 42.438 26.451 1.00 0.00 C ATOM 1578 OE1 GLU B 207 33.870 43.178 26.280 1.00 0.00 O ATOM 1579 OE2 GLU B 207 31.751 42.706 25.925 1.00 0.00 O ATOM 0 H GLU B 207 34.316 38.471 27.468 1.00 0.00 H new ATOM 0 HA GLU B 207 35.326 40.710 25.989 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.241 40.301 28.794 1.00 0.00 H new ATOM 0 HB3 GLU B 207 34.809 41.848 28.199 1.00 0.00 H new ATOM 0 HG2 GLU B 207 32.644 40.334 26.741 1.00 0.00 H new ATOM 0 HG3 GLU B 207 32.267 41.298 28.155 1.00 0.00 H new ATOM 1586 N ALA B 208 36.896 39.463 28.630 1.00 0.00 N ATOM 1587 CA ALA B 208 38.143 39.296 29.310 1.00 0.00 C ATOM 1588 C ALA B 208 39.237 38.757 28.454 1.00 0.00 C ATOM 1589 O ALA B 208 40.378 39.207 28.538 1.00 0.00 O ATOM 1590 CB ALA B 208 37.946 38.386 30.534 1.00 0.00 C ATOM 0 H ALA B 208 36.134 38.959 29.084 1.00 0.00 H new ATOM 0 HA ALA B 208 38.460 40.294 29.613 1.00 0.00 H new ATOM 0 HB1 ALA B 208 38.897 38.260 31.051 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.222 38.839 31.212 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.578 37.413 30.208 1.00 0.00 H new ATOM 1596 N ALA B 209 38.934 37.804 27.554 1.00 0.00 N ATOM 1597 CA ALA B 209 39.868 37.255 26.622 1.00 0.00 C ATOM 1598 C ALA B 209 40.424 38.216 25.627 1.00 0.00 C ATOM 1599 O ALA B 209 41.610 38.156 25.308 1.00 0.00 O ATOM 1600 CB ALA B 209 39.221 36.099 25.841 1.00 0.00 C ATOM 0 H ALA B 209 38.001 37.400 27.473 1.00 0.00 H new ATOM 0 HA ALA B 209 40.701 36.926 27.243 1.00 0.00 H new ATOM 0 HB1 ALA B 209 39.942 35.689 25.134 1.00 0.00 H new ATOM 0 HB2 ALA B 209 38.911 35.319 26.536 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.351 36.469 25.298 1.00 0.00 H new ATOM 1606 N ASP B 210 39.602 39.142 25.102 1.00 0.00 N ATOM 1607 CA ASP B 210 40.006 40.104 24.125 1.00 0.00 C ATOM 1608 C ASP B 210 40.904 41.120 24.743 1.00 0.00 C ATOM 1609 O ASP B 210 41.993 41.418 24.255 1.00 0.00 O ATOM 1610 CB ASP B 210 38.743 40.741 23.520 1.00 0.00 C ATOM 1611 CG ASP B 210 38.959 41.159 22.072 1.00 0.00 C ATOM 1612 OD1 ASP B 210 39.901 41.942 21.776 1.00 0.00 O ATOM 1613 OD2 ASP B 210 38.175 40.695 21.203 1.00 0.00 O ATOM 0 H ASP B 210 38.621 39.224 25.368 1.00 0.00 H new ATOM 0 HA ASP B 210 40.573 39.625 23.327 1.00 0.00 H new ATOM 0 HB2 ASP B 210 37.917 40.032 23.574 1.00 0.00 H new ATOM 0 HB3 ASP B 210 38.456 41.611 24.111 1.00 0.00 H new ATOM 1618 N TYR B 211 40.489 41.608 25.926 1.00 0.00 N ATOM 1619 CA TYR B 211 41.228 42.430 26.834 1.00 0.00 C ATOM 1620 C TYR B 211 42.565 41.872 27.185 1.00 0.00 C ATOM 1621 O TYR B 211 43.578 42.563 27.095 1.00 0.00 O ATOM 1622 CB TYR B 211 40.333 42.675 28.060 1.00 0.00 C ATOM 1623 CG TYR B 211 41.020 43.306 29.223 1.00 0.00 C ATOM 1624 CD1 TYR B 211 41.222 44.665 29.292 1.00 0.00 C ATOM 1625 CD2 TYR B 211 41.494 42.500 30.230 1.00 0.00 C ATOM 1626 CE1 TYR B 211 41.892 45.217 30.358 1.00 0.00 C ATOM 1627 CE2 TYR B 211 42.161 43.045 31.302 1.00 0.00 C ATOM 1628 CZ TYR B 211 42.360 44.404 31.363 1.00 0.00 C ATOM 1629 OH TYR B 211 43.072 44.935 32.460 1.00 0.00 O ATOM 0 H TYR B 211 39.552 41.408 26.276 1.00 0.00 H new ATOM 0 HA TYR B 211 41.471 43.379 26.356 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.499 43.310 27.761 1.00 0.00 H new ATOM 0 HB3 TYR B 211 39.910 41.722 28.379 1.00 0.00 H new ATOM 0 HD1 TYR B 211 40.852 45.303 28.503 1.00 0.00 H new ATOM 0 HD2 TYR B 211 41.342 41.432 30.179 1.00 0.00 H new ATOM 0 HE1 TYR B 211 42.050 46.284 30.406 1.00 0.00 H new ATOM 0 HE2 TYR B 211 42.527 42.408 32.093 1.00 0.00 H new ATOM 0 HH TYR B 211 43.322 44.210 33.070 1.00 0.00 H new ATOM 1639 N LEU B 212 42.667 40.593 27.590 1.00 0.00 N ATOM 1640 CA LEU B 212 43.906 39.994 27.980 1.00 0.00 C ATOM 1641 C LEU B 212 44.885 39.772 26.879 1.00 0.00 C ATOM 1642 O LEU B 212 46.093 39.900 27.077 1.00 0.00 O ATOM 1643 CB LEU B 212 43.654 38.698 28.768 1.00 0.00 C ATOM 1644 CG LEU B 212 43.840 38.891 30.282 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.165 37.699 30.982 1.00 0.00 C ATOM 1646 CD2 LEU B 212 45.315 39.013 30.700 1.00 0.00 C ATOM 0 H LEU B 212 41.869 39.960 27.648 1.00 0.00 H new ATOM 0 HA LEU B 212 44.386 40.732 28.623 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.641 38.346 28.570 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.335 37.923 28.416 1.00 0.00 H new ATOM 0 HG LEU B 212 43.381 39.834 30.578 1.00 0.00 H new ATOM 0 HD11 LEU B 212 43.276 37.800 32.062 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.106 37.679 30.727 1.00 0.00 H new ATOM 0 HD13 LEU B 212 43.634 36.771 30.655 1.00 0.00 H new ATOM 0 HD21 LEU B 212 45.377 39.147 31.780 1.00 0.00 H new ATOM 0 HD22 LEU B 212 45.850 38.107 30.416 1.00 0.00 H new ATOM 0 HD23 LEU B 212 45.765 39.871 30.201 1.00 0.00 H new ATOM 1658 N GLU B 213 44.418 39.498 25.647 1.00 0.00 N ATOM 1659 CA GLU B 213 45.223 39.551 24.466 1.00 0.00 C ATOM 1660 C GLU B 213 45.748 40.923 24.213 1.00 0.00 C ATOM 1661 O GLU B 213 46.906 41.123 23.852 1.00 0.00 O ATOM 1662 CB GLU B 213 44.429 39.061 23.242 1.00 0.00 C ATOM 1663 CG GLU B 213 44.207 37.549 23.160 1.00 0.00 C ATOM 1664 CD GLU B 213 45.434 36.769 22.712 1.00 0.00 C ATOM 1665 OE1 GLU B 213 46.019 37.085 21.642 1.00 0.00 O ATOM 1666 OE2 GLU B 213 45.840 35.815 23.428 1.00 0.00 O ATOM 0 H GLU B 213 43.450 39.231 25.467 1.00 0.00 H new ATOM 0 HA GLU B 213 46.074 38.889 24.629 1.00 0.00 H new ATOM 0 HB2 GLU B 213 43.457 39.554 23.241 1.00 0.00 H new ATOM 0 HB3 GLU B 213 44.950 39.383 22.341 1.00 0.00 H new ATOM 0 HG2 GLU B 213 43.894 37.184 24.138 1.00 0.00 H new ATOM 0 HG3 GLU B 213 43.389 37.349 22.468 1.00 0.00 H new ATOM 1673 N ARG B 214 44.929 41.960 24.459 1.00 0.00 N ATOM 1674 CA ARG B 214 45.300 43.340 24.402 1.00 0.00 C ATOM 1675 C ARG B 214 46.312 43.772 25.406 1.00 0.00 C ATOM 1676 O ARG B 214 46.987 44.788 25.245 1.00 0.00 O ATOM 1677 CB ARG B 214 44.048 44.223 24.544 1.00 0.00 C ATOM 1678 CG ARG B 214 44.038 45.400 23.568 1.00 0.00 C ATOM 1679 CD ARG B 214 42.868 46.361 23.783 1.00 0.00 C ATOM 1680 NE ARG B 214 42.776 47.170 22.535 1.00 0.00 N ATOM 1681 CZ ARG B 214 41.708 47.978 22.273 1.00 0.00 C ATOM 1682 NH1 ARG B 214 40.973 48.564 23.263 1.00 0.00 N ATOM 1683 NH2 ARG B 214 41.353 48.155 20.967 1.00 0.00 N ATOM 0 H ARG B 214 43.950 41.827 24.713 1.00 0.00 H new ATOM 0 HA ARG B 214 45.775 43.462 23.429 1.00 0.00 H new ATOM 0 HB2 ARG B 214 43.159 43.614 24.380 1.00 0.00 H new ATOM 0 HB3 ARG B 214 43.991 44.603 25.564 1.00 0.00 H new ATOM 0 HG2 ARG B 214 44.973 45.951 23.666 1.00 0.00 H new ATOM 0 HG3 ARG B 214 44.000 45.016 22.549 1.00 0.00 H new ATOM 0 HD2 ARG B 214 41.942 45.816 23.965 1.00 0.00 H new ATOM 0 HD3 ARG B 214 43.039 46.998 24.651 1.00 0.00 H new ATOM 0 HE ARG B 214 43.535 47.118 21.855 1.00 0.00 H new ATOM 0 HH11 ARG B 214 41.215 48.404 24.241 1.00 0.00 H new ATOM 0 HH12 ARG B 214 40.182 49.162 23.025 1.00 0.00 H new ATOM 0 HH21 ARG B 214 41.880 47.691 20.228 1.00 0.00 H new ATOM 0 HH22 ARG B 214 40.560 48.752 20.730 1.00 0.00 H new ATOM 1697 N ARG B 215 46.511 43.019 26.502 1.00 0.00 N ATOM 1698 CA ARG B 215 47.524 43.288 27.475 1.00 0.00 C ATOM 1699 C ARG B 215 48.899 42.991 26.986 1.00 0.00 C ATOM 1700 O ARG B 215 49.864 43.602 27.442 1.00 0.00 O ATOM 1701 CB ARG B 215 47.274 42.521 28.785 1.00 0.00 C ATOM 1702 CG ARG B 215 45.995 42.932 29.517 1.00 0.00 C ATOM 1703 CD ARG B 215 46.001 44.338 30.120 1.00 0.00 C ATOM 1704 NE ARG B 215 45.709 44.234 31.577 1.00 0.00 N ATOM 1705 CZ ARG B 215 46.613 43.848 32.525 1.00 0.00 C ATOM 1706 NH1 ARG B 215 47.940 43.693 32.244 1.00 0.00 N ATOM 1707 NH2 ARG B 215 46.174 43.600 33.794 1.00 0.00 N ATOM 0 H ARG B 215 45.949 42.196 26.718 1.00 0.00 H new ATOM 0 HA ARG B 215 47.461 44.359 27.665 1.00 0.00 H new ATOM 0 HB2 ARG B 215 47.227 41.454 28.565 1.00 0.00 H new ATOM 0 HB3 ARG B 215 48.125 42.672 29.450 1.00 0.00 H new ATOM 0 HG2 ARG B 215 45.160 42.858 28.821 1.00 0.00 H new ATOM 0 HG3 ARG B 215 45.808 42.214 30.316 1.00 0.00 H new ATOM 0 HD2 ARG B 215 46.969 44.813 29.962 1.00 0.00 H new ATOM 0 HD3 ARG B 215 45.255 44.963 29.629 1.00 0.00 H new ATOM 0 HE ARG B 215 44.766 44.468 31.889 1.00 0.00 H new ATOM 0 HH11 ARG B 215 48.285 43.867 31.300 1.00 0.00 H new ATOM 0 HH12 ARG B 215 48.586 43.403 32.978 1.00 0.00 H new ATOM 0 HH21 ARG B 215 45.185 43.704 34.021 1.00 0.00 H new ATOM 0 HH22 ARG B 215 46.835 43.311 34.515 1.00 0.00 H new