USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=14 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 -139:sc= 1.09 USER MOD Set 1.2: B 201 ASN : amide:sc= 1.63 K(o=2.7,f=-4.9!) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0.819 K(o=0.82,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 52:sc= 1.26 USER MOD Single : A 15 ASN : amide:sc= -0.0137 X(o=-0.014,f=-0.0055) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.0309 (180deg=-0.25) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00122) USER MOD Single : A 19 THR OG1 : rot 83:sc= 1.13 USER MOD Single : A 24 HIS : no HD1:sc= -0.168 X(o=-0.17,f=0.021) USER MOD Single : A 28 TYR OH : rot -173:sc= 0.275 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -1.07 X(o=-1.1,f=-1.5) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.205 X(o=-0.21,f=-0.066) USER MOD Single : A 69 GLN : amide:sc= 0.343 K(o=0.34,f=-6.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 203 GLN : amide:sc= -0.154 K(o=-0.15,f=-0.84) USER MOD Single : B 204 MET CE :methyl -170:sc= 0 (180deg=-0.087) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 34.058 44.603 38.936 1.00 0.00 N ATOM 53 CA VAL A 5 34.717 43.631 39.753 1.00 0.00 C ATOM 54 C VAL A 5 34.652 42.290 39.104 1.00 0.00 C ATOM 55 O VAL A 5 35.639 41.564 38.996 1.00 0.00 O ATOM 56 CB VAL A 5 34.031 43.573 41.085 1.00 0.00 C ATOM 57 CG1 VAL A 5 34.444 42.344 41.912 1.00 0.00 C ATOM 58 CG2 VAL A 5 34.380 44.879 41.817 1.00 0.00 C ATOM 0 HA VAL A 5 35.762 43.912 39.881 1.00 0.00 H new ATOM 0 HB VAL A 5 32.955 43.472 40.943 1.00 0.00 H new ATOM 0 HG11 VAL A 5 33.917 42.354 42.866 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.190 41.436 41.366 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.519 42.370 42.091 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.902 44.886 42.797 1.00 0.00 H new ATOM 0 HG22 VAL A 5 35.461 44.950 41.940 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.025 45.729 41.234 1.00 0.00 H new ATOM 68 N GLU A 6 33.457 41.903 38.625 1.00 0.00 N ATOM 69 CA GLU A 6 33.257 40.625 38.016 1.00 0.00 C ATOM 70 C GLU A 6 33.832 40.535 36.644 1.00 0.00 C ATOM 71 O GLU A 6 34.199 39.454 36.187 1.00 0.00 O ATOM 72 CB GLU A 6 31.807 40.136 38.175 1.00 0.00 C ATOM 73 CG GLU A 6 31.637 39.556 39.580 1.00 0.00 C ATOM 74 CD GLU A 6 30.213 39.226 40.004 1.00 0.00 C ATOM 75 OE1 GLU A 6 29.435 40.167 40.314 1.00 0.00 O ATOM 76 OE2 GLU A 6 29.885 38.020 40.158 1.00 0.00 O ATOM 0 H GLU A 6 32.619 42.484 38.660 1.00 0.00 H new ATOM 0 HA GLU A 6 33.847 39.895 38.570 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.111 40.960 38.020 1.00 0.00 H new ATOM 0 HB3 GLU A 6 31.579 39.380 37.424 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.234 38.647 39.650 1.00 0.00 H new ATOM 0 HG3 GLU A 6 32.052 40.266 40.296 1.00 0.00 H new ATOM 83 N PHE A 7 34.119 41.692 36.023 1.00 0.00 N ATOM 84 CA PHE A 7 35.008 41.795 34.907 1.00 0.00 C ATOM 85 C PHE A 7 36.379 41.326 35.249 1.00 0.00 C ATOM 86 O PHE A 7 36.961 40.503 34.543 1.00 0.00 O ATOM 87 CB PHE A 7 35.034 43.248 34.402 1.00 0.00 C ATOM 88 CG PHE A 7 35.879 43.544 33.212 1.00 0.00 C ATOM 89 CD1 PHE A 7 36.010 42.671 32.158 1.00 0.00 C ATOM 90 CD2 PHE A 7 36.516 44.762 33.150 1.00 0.00 C ATOM 91 CE1 PHE A 7 36.792 42.998 31.075 1.00 0.00 C ATOM 92 CE2 PHE A 7 37.298 45.097 32.071 1.00 0.00 C ATOM 93 CZ PHE A 7 37.444 44.207 31.032 1.00 0.00 C ATOM 0 H PHE A 7 33.719 42.586 36.307 1.00 0.00 H new ATOM 0 HA PHE A 7 34.639 41.146 34.113 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.010 43.543 34.170 1.00 0.00 H new ATOM 0 HB3 PHE A 7 35.371 43.883 35.221 1.00 0.00 H new ATOM 0 HD1 PHE A 7 35.495 41.722 32.181 1.00 0.00 H new ATOM 0 HD2 PHE A 7 36.400 45.465 33.961 1.00 0.00 H new ATOM 0 HE1 PHE A 7 36.894 42.302 30.255 1.00 0.00 H new ATOM 0 HE2 PHE A 7 37.796 46.055 32.039 1.00 0.00 H new ATOM 0 HZ PHE A 7 38.068 44.457 30.187 1.00 0.00 H new ATOM 103 N ASN A 8 36.925 41.761 36.399 1.00 0.00 N ATOM 104 CA ASN A 8 38.251 41.518 36.875 1.00 0.00 C ATOM 105 C ASN A 8 38.413 40.112 37.341 1.00 0.00 C ATOM 106 O ASN A 8 39.454 39.485 37.145 1.00 0.00 O ATOM 107 CB ASN A 8 38.533 42.493 38.031 1.00 0.00 C ATOM 108 CG ASN A 8 40.016 42.799 38.181 1.00 0.00 C ATOM 109 OD1 ASN A 8 40.830 41.993 38.629 1.00 0.00 O ATOM 110 ND2 ASN A 8 40.395 44.046 37.792 1.00 0.00 N ATOM 0 H ASN A 8 36.389 42.333 37.052 1.00 0.00 H new ATOM 0 HA ASN A 8 38.959 41.674 36.061 1.00 0.00 H new ATOM 0 HB2 ASN A 8 37.988 43.422 37.861 1.00 0.00 H new ATOM 0 HB3 ASN A 8 38.156 42.068 38.961 1.00 0.00 H new ATOM 0 HD21 ASN A 8 41.372 44.329 37.869 1.00 0.00 H new ATOM 0 HD22 ASN A 8 39.702 44.698 37.423 1.00 0.00 H new ATOM 117 N ASN A 9 37.354 39.522 37.925 1.00 0.00 N ATOM 118 CA ASN A 9 37.292 38.133 38.256 1.00 0.00 C ATOM 119 C ASN A 9 37.325 37.271 37.041 1.00 0.00 C ATOM 120 O ASN A 9 37.913 36.192 37.054 1.00 0.00 O ATOM 121 CB ASN A 9 36.048 37.773 39.087 1.00 0.00 C ATOM 122 CG ASN A 9 36.227 38.129 40.556 1.00 0.00 C ATOM 123 OD1 ASN A 9 36.360 37.243 41.399 1.00 0.00 O ATOM 124 ND2 ASN A 9 36.213 39.444 40.901 1.00 0.00 N ATOM 0 H ASN A 9 36.508 40.034 38.176 1.00 0.00 H new ATOM 0 HA ASN A 9 38.179 37.943 38.861 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.180 38.299 38.689 1.00 0.00 H new ATOM 0 HB3 ASN A 9 35.845 36.706 38.994 1.00 0.00 H new ATOM 0 HD21 ASN A 9 36.314 39.716 41.879 1.00 0.00 H new ATOM 0 HD22 ASN A 9 36.101 40.159 40.182 1.00 0.00 H new ATOM 131 N ALA A 10 36.745 37.742 35.922 1.00 0.00 N ATOM 132 CA ALA A 10 36.871 37.119 34.641 1.00 0.00 C ATOM 133 C ALA A 10 38.259 37.216 34.111 1.00 0.00 C ATOM 134 O ALA A 10 38.834 36.202 33.718 1.00 0.00 O ATOM 135 CB ALA A 10 35.810 37.629 33.651 1.00 0.00 C ATOM 0 H ALA A 10 36.170 38.584 35.909 1.00 0.00 H new ATOM 0 HA ALA A 10 36.674 36.055 34.774 1.00 0.00 H new ATOM 0 HB1 ALA A 10 35.940 37.131 32.690 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.815 37.412 34.040 1.00 0.00 H new ATOM 0 HB3 ALA A 10 35.922 38.705 33.520 1.00 0.00 H new ATOM 141 N ILE A 11 38.903 38.396 34.151 1.00 0.00 N ATOM 142 CA ILE A 11 40.269 38.616 33.790 1.00 0.00 C ATOM 143 C ILE A 11 41.207 37.683 34.477 1.00 0.00 C ATOM 144 O ILE A 11 42.003 36.995 33.840 1.00 0.00 O ATOM 145 CB ILE A 11 40.762 39.995 34.113 1.00 0.00 C ATOM 146 CG1 ILE A 11 39.904 41.129 33.530 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.178 40.230 33.559 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.430 40.898 32.096 1.00 0.00 C ATOM 0 H ILE A 11 38.439 39.252 34.455 1.00 0.00 H new ATOM 0 HA ILE A 11 40.266 38.454 32.712 1.00 0.00 H new ATOM 0 HB ILE A 11 40.724 40.028 35.202 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.032 41.271 34.168 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.478 42.055 33.564 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.504 41.239 33.811 1.00 0.00 H new ATOM 0 HG22 ILE A 11 42.865 39.506 33.997 1.00 0.00 H new ATOM 0 HG23 ILE A 11 42.169 40.112 32.475 1.00 0.00 H new ATOM 0 HD11 ILE A 11 38.832 41.749 31.769 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.294 40.788 31.441 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.825 39.992 32.054 1.00 0.00 H new ATOM 160 N SER A 12 41.088 37.620 35.815 1.00 0.00 N ATOM 161 CA SER A 12 41.817 36.775 36.710 1.00 0.00 C ATOM 162 C SER A 12 41.789 35.343 36.300 1.00 0.00 C ATOM 163 O SER A 12 42.814 34.664 36.261 1.00 0.00 O ATOM 164 CB SER A 12 41.272 36.925 38.140 1.00 0.00 C ATOM 165 OG SER A 12 42.104 36.340 39.131 1.00 0.00 O ATOM 0 H SER A 12 40.423 38.213 36.312 1.00 0.00 H new ATOM 0 HA SER A 12 42.858 37.097 36.676 1.00 0.00 H new ATOM 0 HB2 SER A 12 41.147 37.985 38.363 1.00 0.00 H new ATOM 0 HB3 SER A 12 40.283 36.469 38.193 1.00 0.00 H new ATOM 0 HG SER A 12 41.702 36.472 40.015 1.00 0.00 H new ATOM 171 N TYR A 13 40.607 34.847 35.893 1.00 0.00 N ATOM 172 CA TYR A 13 40.415 33.513 35.412 1.00 0.00 C ATOM 173 C TYR A 13 41.126 33.243 34.131 1.00 0.00 C ATOM 174 O TYR A 13 41.891 32.285 34.032 1.00 0.00 O ATOM 175 CB TYR A 13 38.908 33.243 35.265 1.00 0.00 C ATOM 176 CG TYR A 13 38.531 31.823 35.008 1.00 0.00 C ATOM 177 CD1 TYR A 13 39.236 30.727 35.443 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.389 31.634 34.266 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.815 29.456 35.127 1.00 0.00 C ATOM 180 CE2 TYR A 13 36.965 30.373 33.921 1.00 0.00 C ATOM 181 CZ TYR A 13 37.692 29.287 34.353 1.00 0.00 C ATOM 182 OH TYR A 13 37.303 28.006 33.906 1.00 0.00 O ATOM 0 H TYR A 13 39.749 35.398 35.899 1.00 0.00 H new ATOM 0 HA TYR A 13 40.850 32.833 36.144 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.407 33.575 36.175 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.525 33.856 34.449 1.00 0.00 H new ATOM 0 HD1 TYR A 13 40.127 30.864 36.037 1.00 0.00 H new ATOM 0 HD2 TYR A 13 36.815 32.492 33.949 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.363 28.597 35.485 1.00 0.00 H new ATOM 0 HE2 TYR A 13 36.077 30.237 33.322 1.00 0.00 H new ATOM 0 HH TYR A 13 37.263 27.392 34.668 1.00 0.00 H new ATOM 192 N VAL A 14 40.945 34.083 33.097 1.00 0.00 N ATOM 193 CA VAL A 14 41.595 33.971 31.828 1.00 0.00 C ATOM 194 C VAL A 14 43.076 34.084 31.947 1.00 0.00 C ATOM 195 O VAL A 14 43.831 33.357 31.304 1.00 0.00 O ATOM 196 CB VAL A 14 41.063 34.962 30.837 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.532 34.620 29.413 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.527 34.880 30.799 1.00 0.00 C ATOM 0 H VAL A 14 40.313 34.882 33.149 1.00 0.00 H new ATOM 0 HA VAL A 14 41.369 32.973 31.453 1.00 0.00 H new ATOM 0 HB VAL A 14 41.419 35.946 31.141 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.133 35.354 28.712 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.621 34.637 29.375 1.00 0.00 H new ATOM 0 HG13 VAL A 14 41.175 33.627 29.141 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.142 35.601 30.078 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.223 33.875 30.505 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.126 35.105 31.787 1.00 0.00 H new ATOM 208 N ASN A 15 43.575 34.956 32.842 1.00 0.00 N ATOM 209 CA ASN A 15 44.953 35.005 33.218 1.00 0.00 C ATOM 210 C ASN A 15 45.526 33.738 33.752 1.00 0.00 C ATOM 211 O ASN A 15 46.632 33.342 33.389 1.00 0.00 O ATOM 212 CB ASN A 15 45.234 36.126 34.234 1.00 0.00 C ATOM 213 CG ASN A 15 46.238 37.152 33.726 1.00 0.00 C ATOM 214 OD1 ASN A 15 45.991 38.357 33.735 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.427 36.663 33.281 1.00 0.00 N ATOM 0 H ASN A 15 43.000 35.650 33.319 1.00 0.00 H new ATOM 0 HA ASN A 15 45.452 35.201 32.269 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.299 36.631 34.478 1.00 0.00 H new ATOM 0 HB3 ASN A 15 45.609 35.686 35.158 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.146 37.302 32.941 1.00 0.00 H new ATOM 0 HD22 ASN A 15 47.599 35.658 33.287 1.00 0.00 H new ATOM 222 N LYS A 16 44.793 33.034 34.634 1.00 0.00 N ATOM 223 CA LYS A 16 45.137 31.762 35.189 1.00 0.00 C ATOM 224 C LYS A 16 45.181 30.699 34.146 1.00 0.00 C ATOM 225 O LYS A 16 46.107 29.892 34.087 1.00 0.00 O ATOM 226 CB LYS A 16 44.125 31.411 36.292 1.00 0.00 C ATOM 227 CG LYS A 16 44.693 30.894 37.615 1.00 0.00 C ATOM 228 CD LYS A 16 44.861 29.379 37.737 1.00 0.00 C ATOM 229 CE LYS A 16 46.248 28.802 37.445 1.00 0.00 C ATOM 230 NZ LYS A 16 47.255 29.318 38.399 1.00 0.00 N ATOM 0 H LYS A 16 43.898 33.379 34.982 1.00 0.00 H new ATOM 0 HA LYS A 16 46.138 31.822 35.616 1.00 0.00 H new ATOM 0 HB2 LYS A 16 43.531 32.300 36.503 1.00 0.00 H new ATOM 0 HB3 LYS A 16 43.442 30.658 35.899 1.00 0.00 H new ATOM 0 HG2 LYS A 16 45.666 31.360 37.774 1.00 0.00 H new ATOM 0 HG3 LYS A 16 44.042 31.232 38.421 1.00 0.00 H new ATOM 0 HD2 LYS A 16 44.581 29.089 38.750 1.00 0.00 H new ATOM 0 HD3 LYS A 16 44.149 28.905 37.061 1.00 0.00 H new ATOM 0 HE2 LYS A 16 46.212 27.714 37.504 1.00 0.00 H new ATOM 0 HE3 LYS A 16 46.544 29.057 36.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 48.101 28.713 38.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 47.516 30.290 38.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 46.857 29.314 39.360 1.00 0.00 H new ATOM 244 N ILE A 17 44.189 30.708 33.237 1.00 0.00 N ATOM 245 CA ILE A 17 44.077 29.904 32.060 1.00 0.00 C ATOM 246 C ILE A 17 45.236 30.071 31.139 1.00 0.00 C ATOM 247 O ILE A 17 45.869 29.078 30.782 1.00 0.00 O ATOM 248 CB ILE A 17 42.761 30.174 31.393 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.620 29.571 32.230 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.723 29.636 29.953 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.229 30.009 31.773 1.00 0.00 C ATOM 0 H ILE A 17 43.393 31.338 33.338 1.00 0.00 H new ATOM 0 HA ILE A 17 44.103 28.855 32.354 1.00 0.00 H new ATOM 0 HB ILE A 17 42.631 31.254 31.332 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.683 28.484 32.185 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.757 29.855 33.273 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.752 29.854 29.509 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.506 30.114 29.365 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.884 28.558 29.963 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.474 29.545 32.408 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.147 31.094 31.845 1.00 0.00 H new ATOM 0 HD13 ILE A 17 40.072 29.701 30.739 1.00 0.00 H new ATOM 263 N LYS A 18 45.613 31.302 30.749 1.00 0.00 N ATOM 264 CA LYS A 18 46.726 31.587 29.897 1.00 0.00 C ATOM 265 C LYS A 18 48.026 31.066 30.406 1.00 0.00 C ATOM 266 O LYS A 18 48.814 30.470 29.673 1.00 0.00 O ATOM 267 CB LYS A 18 46.898 33.096 29.658 1.00 0.00 C ATOM 268 CG LYS A 18 45.856 33.679 28.701 1.00 0.00 C ATOM 269 CD LYS A 18 46.101 35.153 28.372 1.00 0.00 C ATOM 270 CE LYS A 18 46.653 35.410 26.968 1.00 0.00 C ATOM 271 NZ LYS A 18 47.949 34.724 26.764 1.00 0.00 N ATOM 0 H LYS A 18 45.115 32.142 31.044 1.00 0.00 H new ATOM 0 HA LYS A 18 46.481 31.073 28.968 1.00 0.00 H new ATOM 0 HB2 LYS A 18 46.836 33.618 30.613 1.00 0.00 H new ATOM 0 HB3 LYS A 18 47.894 33.282 29.257 1.00 0.00 H new ATOM 0 HG2 LYS A 18 45.857 33.102 27.777 1.00 0.00 H new ATOM 0 HG3 LYS A 18 44.865 33.571 29.143 1.00 0.00 H new ATOM 0 HD2 LYS A 18 45.163 35.697 28.485 1.00 0.00 H new ATOM 0 HD3 LYS A 18 46.798 35.564 29.103 1.00 0.00 H new ATOM 0 HE2 LYS A 18 45.935 35.064 26.224 1.00 0.00 H new ATOM 0 HE3 LYS A 18 46.779 36.482 26.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 48.305 34.932 25.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 48.635 35.060 27.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 47.819 33.698 26.869 1.00 0.00 H new ATOM 285 N THR A 19 48.279 31.224 31.717 1.00 0.00 N ATOM 286 CA THR A 19 49.439 30.731 32.391 1.00 0.00 C ATOM 287 C THR A 19 49.497 29.242 32.441 1.00 0.00 C ATOM 288 O THR A 19 50.566 28.643 32.552 1.00 0.00 O ATOM 289 CB THR A 19 49.517 31.321 33.767 1.00 0.00 C ATOM 290 OG1 THR A 19 49.323 32.727 33.721 1.00 0.00 O ATOM 291 CG2 THR A 19 50.915 31.121 34.375 1.00 0.00 C ATOM 0 H THR A 19 47.641 31.721 32.338 1.00 0.00 H new ATOM 0 HA THR A 19 50.308 31.045 31.812 1.00 0.00 H new ATOM 0 HB THR A 19 48.749 30.824 34.359 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.363 32.924 33.698 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.944 31.558 35.373 1.00 0.00 H new ATOM 0 HG22 THR A 19 51.135 30.055 34.439 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.659 31.607 33.744 1.00 0.00 H new ATOM 299 N ARG A 20 48.358 28.540 32.307 1.00 0.00 N ATOM 300 CA ARG A 20 48.308 27.123 32.123 1.00 0.00 C ATOM 301 C ARG A 20 48.168 26.682 30.707 1.00 0.00 C ATOM 302 O ARG A 20 48.124 25.486 30.426 1.00 0.00 O ATOM 303 CB ARG A 20 47.168 26.524 32.963 1.00 0.00 C ATOM 304 CG ARG A 20 47.434 26.529 34.469 1.00 0.00 C ATOM 305 CD ARG A 20 48.731 25.847 34.912 1.00 0.00 C ATOM 306 NE ARG A 20 48.714 24.450 34.396 1.00 0.00 N ATOM 307 CZ ARG A 20 49.724 23.849 33.701 1.00 0.00 C ATOM 308 NH1 ARG A 20 50.918 24.461 33.447 1.00 0.00 N ATOM 309 NH2 ARG A 20 49.540 22.582 33.231 1.00 0.00 N ATOM 0 H ARG A 20 47.436 28.976 32.328 1.00 0.00 H new ATOM 0 HA ARG A 20 49.277 26.753 32.457 1.00 0.00 H new ATOM 0 HB2 ARG A 20 46.253 27.082 32.765 1.00 0.00 H new ATOM 0 HB3 ARG A 20 46.993 25.498 32.639 1.00 0.00 H new ATOM 0 HG2 ARG A 20 47.452 27.563 34.814 1.00 0.00 H new ATOM 0 HG3 ARG A 20 46.598 26.041 34.970 1.00 0.00 H new ATOM 0 HD2 ARG A 20 49.596 26.386 34.526 1.00 0.00 H new ATOM 0 HD3 ARG A 20 48.812 25.851 35.999 1.00 0.00 H new ATOM 0 HE ARG A 20 47.877 23.895 34.577 1.00 0.00 H new ATOM 0 HH11 ARG A 20 51.086 25.410 33.782 1.00 0.00 H new ATOM 0 HH12 ARG A 20 51.642 23.969 32.923 1.00 0.00 H new ATOM 0 HH21 ARG A 20 48.658 22.098 33.401 1.00 0.00 H new ATOM 0 HH22 ARG A 20 50.284 22.118 32.710 1.00 0.00 H new ATOM 323 N PHE A 21 48.150 27.609 29.734 1.00 0.00 N ATOM 324 CA PHE A 21 48.117 27.317 28.333 1.00 0.00 C ATOM 325 C PHE A 21 49.474 27.437 27.731 1.00 0.00 C ATOM 326 O PHE A 21 49.631 27.642 26.529 1.00 0.00 O ATOM 327 CB PHE A 21 47.174 28.252 27.556 1.00 0.00 C ATOM 328 CG PHE A 21 45.721 27.921 27.566 1.00 0.00 C ATOM 329 CD1 PHE A 21 45.104 26.970 28.342 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.963 28.650 26.682 1.00 0.00 C ATOM 331 CE1 PHE A 21 43.749 26.753 28.241 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.604 28.461 26.583 1.00 0.00 C ATOM 333 CZ PHE A 21 43.001 27.512 27.373 1.00 0.00 C ATOM 0 H PHE A 21 48.159 28.610 29.932 1.00 0.00 H new ATOM 0 HA PHE A 21 47.749 26.294 28.253 1.00 0.00 H new ATOM 0 HB2 PHE A 21 47.293 29.259 27.956 1.00 0.00 H new ATOM 0 HB3 PHE A 21 47.506 28.280 26.518 1.00 0.00 H new ATOM 0 HD1 PHE A 21 45.688 26.387 29.038 1.00 0.00 H new ATOM 0 HD2 PHE A 21 45.443 29.385 26.053 1.00 0.00 H new ATOM 0 HE1 PHE A 21 43.276 25.990 28.841 1.00 0.00 H new ATOM 0 HE2 PHE A 21 43.019 29.051 25.893 1.00 0.00 H new ATOM 0 HZ PHE A 21 41.933 27.362 27.311 1.00 0.00 H new ATOM 343 N LEU A 22 50.561 27.267 28.506 1.00 0.00 N ATOM 344 CA LEU A 22 51.890 27.437 28.007 1.00 0.00 C ATOM 345 C LEU A 22 52.342 26.331 27.116 1.00 0.00 C ATOM 346 O LEU A 22 53.029 26.546 26.119 1.00 0.00 O ATOM 347 CB LEU A 22 52.889 27.721 29.141 1.00 0.00 C ATOM 348 CG LEU A 22 52.537 29.014 29.895 1.00 0.00 C ATOM 349 CD1 LEU A 22 53.480 29.130 31.103 1.00 0.00 C ATOM 350 CD2 LEU A 22 52.611 30.302 29.058 1.00 0.00 C ATOM 0 H LEU A 22 50.516 27.008 29.492 1.00 0.00 H new ATOM 0 HA LEU A 22 51.859 28.320 27.369 1.00 0.00 H new ATOM 0 HB2 LEU A 22 52.897 26.883 29.838 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.895 27.802 28.729 1.00 0.00 H new ATOM 0 HG LEU A 22 51.490 28.929 30.187 1.00 0.00 H new ATOM 0 HD11 LEU A 22 53.252 30.041 31.657 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.345 28.266 31.754 1.00 0.00 H new ATOM 0 HD13 LEU A 22 54.513 29.166 30.756 1.00 0.00 H new ATOM 0 HD21 LEU A 22 52.345 31.156 29.681 1.00 0.00 H new ATOM 0 HD22 LEU A 22 53.624 30.431 28.678 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.916 30.233 28.221 1.00 0.00 H new ATOM 362 N ASP A 23 51.904 25.093 27.407 1.00 0.00 N ATOM 363 CA ASP A 23 52.035 23.950 26.557 1.00 0.00 C ATOM 364 C ASP A 23 50.916 23.875 25.575 1.00 0.00 C ATOM 365 O ASP A 23 50.930 23.083 24.635 1.00 0.00 O ATOM 366 CB ASP A 23 52.060 22.716 27.474 1.00 0.00 C ATOM 367 CG ASP A 23 52.383 21.420 26.745 1.00 0.00 C ATOM 368 OD1 ASP A 23 53.463 21.351 26.098 1.00 0.00 O ATOM 369 OD2 ASP A 23 51.580 20.454 26.841 1.00 0.00 O ATOM 0 H ASP A 23 51.432 24.878 28.285 1.00 0.00 H new ATOM 0 HA ASP A 23 52.950 24.010 25.968 1.00 0.00 H new ATOM 0 HB2 ASP A 23 52.798 22.874 28.261 1.00 0.00 H new ATOM 0 HB3 ASP A 23 51.090 22.617 27.961 1.00 0.00 H new ATOM 374 N HIS A 24 49.870 24.704 25.741 1.00 0.00 N ATOM 375 CA HIS A 24 48.624 24.540 25.059 1.00 0.00 C ATOM 376 C HIS A 24 48.149 25.745 24.320 1.00 0.00 C ATOM 377 O HIS A 24 47.051 26.202 24.633 1.00 0.00 O ATOM 378 CB HIS A 24 47.564 24.130 26.095 1.00 0.00 C ATOM 379 CG HIS A 24 47.965 22.996 26.990 1.00 0.00 C ATOM 380 ND1 HIS A 24 48.234 21.748 26.492 1.00 0.00 N ATOM 381 CD2 HIS A 24 48.061 22.902 28.344 1.00 0.00 C ATOM 382 CE1 HIS A 24 48.484 20.925 27.493 1.00 0.00 C ATOM 383 NE2 HIS A 24 48.380 21.601 28.623 1.00 0.00 N ATOM 0 H HIS A 24 49.891 25.510 26.366 1.00 0.00 H new ATOM 0 HA HIS A 24 48.783 23.777 24.297 1.00 0.00 H new ATOM 0 HB2 HIS A 24 47.327 24.996 26.713 1.00 0.00 H new ATOM 0 HB3 HIS A 24 46.650 23.854 25.569 1.00 0.00 H new ATOM 0 HD2 HIS A 24 47.914 23.698 29.059 1.00 0.00 H new ATOM 0 HE1 HIS A 24 48.731 19.878 27.403 1.00 0.00 H new ATOM 0 HE2 HIS A 24 48.516 21.214 29.557 1.00 0.00 H new ATOM 392 N PRO A 25 48.801 26.335 23.364 1.00 0.00 N ATOM 393 CA PRO A 25 48.421 27.619 22.851 1.00 0.00 C ATOM 394 C PRO A 25 47.283 27.580 21.891 1.00 0.00 C ATOM 395 O PRO A 25 46.546 28.562 21.811 1.00 0.00 O ATOM 396 CB PRO A 25 49.677 28.117 22.139 1.00 0.00 C ATOM 397 CG PRO A 25 50.356 26.830 21.642 1.00 0.00 C ATOM 398 CD PRO A 25 50.054 25.861 22.797 1.00 0.00 C ATOM 0 HA PRO A 25 48.073 28.260 23.661 1.00 0.00 H new ATOM 0 HB2 PRO A 25 49.430 28.783 21.312 1.00 0.00 H new ATOM 0 HB3 PRO A 25 50.325 28.675 22.815 1.00 0.00 H new ATOM 0 HG2 PRO A 25 49.938 26.484 20.696 1.00 0.00 H new ATOM 0 HG3 PRO A 25 51.427 26.964 21.488 1.00 0.00 H new ATOM 0 HD2 PRO A 25 49.963 24.836 22.439 1.00 0.00 H new ATOM 0 HD3 PRO A 25 50.852 25.870 23.539 1.00 0.00 H new ATOM 406 N GLU A 26 47.095 26.486 21.130 1.00 0.00 N ATOM 407 CA GLU A 26 46.118 26.343 20.096 1.00 0.00 C ATOM 408 C GLU A 26 44.728 26.444 20.621 1.00 0.00 C ATOM 409 O GLU A 26 43.797 26.951 19.997 1.00 0.00 O ATOM 410 CB GLU A 26 46.294 24.992 19.380 1.00 0.00 C ATOM 411 CG GLU A 26 47.761 24.642 19.130 1.00 0.00 C ATOM 412 CD GLU A 26 47.939 23.441 18.212 1.00 0.00 C ATOM 413 OE1 GLU A 26 47.551 22.313 18.618 1.00 0.00 O ATOM 414 OE2 GLU A 26 48.498 23.593 17.092 1.00 0.00 O ATOM 0 H GLU A 26 47.664 25.647 21.246 1.00 0.00 H new ATOM 0 HA GLU A 26 46.274 27.161 19.393 1.00 0.00 H new ATOM 0 HB2 GLU A 26 45.834 24.206 19.979 1.00 0.00 H new ATOM 0 HB3 GLU A 26 45.764 25.019 18.428 1.00 0.00 H new ATOM 0 HG2 GLU A 26 48.265 25.504 18.693 1.00 0.00 H new ATOM 0 HG3 GLU A 26 48.248 24.438 20.084 1.00 0.00 H new ATOM 421 N ILE A 27 44.584 26.006 21.884 1.00 0.00 N ATOM 422 CA ILE A 27 43.429 26.084 22.724 1.00 0.00 C ATOM 423 C ILE A 27 42.885 27.458 22.907 1.00 0.00 C ATOM 424 O ILE A 27 41.671 27.625 23.016 1.00 0.00 O ATOM 425 CB ILE A 27 43.758 25.466 24.051 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.399 24.097 23.768 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.486 25.327 24.906 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.266 23.153 24.963 1.00 0.00 C ATOM 0 H ILE A 27 45.359 25.550 22.365 1.00 0.00 H new ATOM 0 HA ILE A 27 42.634 25.535 22.219 1.00 0.00 H new ATOM 0 HB ILE A 27 44.450 26.091 24.615 1.00 0.00 H new ATOM 0 HG12 ILE A 27 43.927 23.647 22.895 1.00 0.00 H new ATOM 0 HG13 ILE A 27 45.453 24.232 23.526 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.740 24.877 25.866 1.00 0.00 H new ATOM 0 HG22 ILE A 27 42.049 26.312 25.071 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.767 24.693 24.387 1.00 0.00 H new ATOM 0 HD11 ILE A 27 44.731 22.196 24.724 1.00 0.00 H new ATOM 0 HD12 ILE A 27 44.761 23.591 25.830 1.00 0.00 H new ATOM 0 HD13 ILE A 27 43.211 22.998 25.188 1.00 0.00 H new ATOM 440 N TYR A 28 43.724 28.510 22.889 1.00 0.00 N ATOM 441 CA TYR A 28 43.283 29.867 22.995 1.00 0.00 C ATOM 442 C TYR A 28 42.415 30.278 21.856 1.00 0.00 C ATOM 443 O TYR A 28 41.557 31.148 21.990 1.00 0.00 O ATOM 444 CB TYR A 28 44.469 30.831 23.170 1.00 0.00 C ATOM 445 CG TYR A 28 44.062 32.066 23.898 1.00 0.00 C ATOM 446 CD1 TYR A 28 44.013 32.066 25.272 1.00 0.00 C ATOM 447 CD2 TYR A 28 43.705 33.210 23.225 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.618 33.187 25.964 1.00 0.00 C ATOM 449 CE2 TYR A 28 43.332 34.346 23.905 1.00 0.00 C ATOM 450 CZ TYR A 28 43.305 34.338 25.280 1.00 0.00 C ATOM 451 OH TYR A 28 43.001 35.506 26.012 1.00 0.00 O ATOM 0 H TYR A 28 44.735 28.415 22.798 1.00 0.00 H new ATOM 0 HA TYR A 28 42.668 29.924 23.893 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.269 30.331 23.717 1.00 0.00 H new ATOM 0 HB3 TYR A 28 44.870 31.098 22.192 1.00 0.00 H new ATOM 0 HD1 TYR A 28 44.288 31.174 25.815 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.718 33.217 22.145 1.00 0.00 H new ATOM 0 HE1 TYR A 28 43.554 33.163 27.042 1.00 0.00 H new ATOM 0 HE2 TYR A 28 43.062 35.240 23.362 1.00 0.00 H new ATOM 0 HH TYR A 28 42.693 36.206 25.399 1.00 0.00 H new ATOM 461 N ARG A 29 42.528 29.618 20.690 1.00 0.00 N ATOM 462 CA ARG A 29 41.564 29.774 19.643 1.00 0.00 C ATOM 463 C ARG A 29 40.287 29.062 19.928 1.00 0.00 C ATOM 464 O ARG A 29 39.213 29.651 19.817 1.00 0.00 O ATOM 465 CB ARG A 29 42.117 29.316 18.283 1.00 0.00 C ATOM 466 CG ARG A 29 43.332 30.106 17.792 1.00 0.00 C ATOM 467 CD ARG A 29 43.064 31.580 17.484 1.00 0.00 C ATOM 468 NE ARG A 29 43.825 32.422 18.450 1.00 0.00 N ATOM 469 CZ ARG A 29 43.327 33.504 19.115 1.00 0.00 C ATOM 470 NH1 ARG A 29 41.994 33.789 19.197 1.00 0.00 N ATOM 471 NH2 ARG A 29 44.204 34.341 19.743 1.00 0.00 N ATOM 0 H ARG A 29 43.288 28.975 20.471 1.00 0.00 H new ATOM 0 HA ARG A 29 41.352 30.842 19.597 1.00 0.00 H new ATOM 0 HB2 ARG A 29 42.388 28.263 18.352 1.00 0.00 H new ATOM 0 HB3 ARG A 29 41.325 29.393 17.539 1.00 0.00 H new ATOM 0 HG2 ARG A 29 44.115 30.045 18.547 1.00 0.00 H new ATOM 0 HG3 ARG A 29 43.719 29.627 16.892 1.00 0.00 H new ATOM 0 HD2 ARG A 29 43.366 31.812 16.463 1.00 0.00 H new ATOM 0 HD3 ARG A 29 41.997 31.792 17.558 1.00 0.00 H new ATOM 0 HE ARG A 29 44.797 32.169 18.628 1.00 0.00 H new ATOM 0 HH11 ARG A 29 41.313 33.178 18.747 1.00 0.00 H new ATOM 0 HH12 ARG A 29 41.679 34.613 19.709 1.00 0.00 H new ATOM 0 HH21 ARG A 29 45.205 34.150 19.708 1.00 0.00 H new ATOM 0 HH22 ARG A 29 43.858 35.157 20.247 1.00 0.00 H new ATOM 485 N SER A 30 40.341 27.773 20.311 1.00 0.00 N ATOM 486 CA SER A 30 39.204 26.908 20.367 1.00 0.00 C ATOM 487 C SER A 30 38.324 27.137 21.546 1.00 0.00 C ATOM 488 O SER A 30 37.102 27.060 21.423 1.00 0.00 O ATOM 489 CB SER A 30 39.598 25.423 20.308 1.00 0.00 C ATOM 490 OG SER A 30 38.485 24.574 20.069 1.00 0.00 O ATOM 0 H SER A 30 41.209 27.317 20.592 1.00 0.00 H new ATOM 0 HA SER A 30 38.630 27.166 19.477 1.00 0.00 H new ATOM 0 HB2 SER A 30 40.337 25.278 19.520 1.00 0.00 H new ATOM 0 HB3 SER A 30 40.073 25.139 21.247 1.00 0.00 H new ATOM 0 HG SER A 30 38.785 23.642 20.039 1.00 0.00 H new ATOM 496 N PHE A 31 38.890 27.431 22.731 1.00 0.00 N ATOM 497 CA PHE A 31 38.197 27.791 23.929 1.00 0.00 C ATOM 498 C PHE A 31 37.147 28.830 23.744 1.00 0.00 C ATOM 499 O PHE A 31 35.996 28.663 24.144 1.00 0.00 O ATOM 500 CB PHE A 31 39.279 28.222 24.934 1.00 0.00 C ATOM 501 CG PHE A 31 38.881 28.839 26.231 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.730 28.517 26.911 1.00 0.00 C ATOM 503 CD2 PHE A 31 39.728 29.773 26.778 1.00 0.00 C ATOM 504 CE1 PHE A 31 37.406 29.153 28.085 1.00 0.00 C ATOM 505 CE2 PHE A 31 39.407 30.426 27.944 1.00 0.00 C ATOM 506 CZ PHE A 31 38.239 30.120 28.600 1.00 0.00 C ATOM 0 H PHE A 31 39.902 27.416 22.859 1.00 0.00 H new ATOM 0 HA PHE A 31 37.628 26.935 24.293 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.879 27.341 25.163 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.933 28.930 24.424 1.00 0.00 H new ATOM 0 HD1 PHE A 31 37.073 27.755 26.518 1.00 0.00 H new ATOM 0 HD2 PHE A 31 40.661 29.998 26.283 1.00 0.00 H new ATOM 0 HE1 PHE A 31 36.496 28.894 28.605 1.00 0.00 H new ATOM 0 HE2 PHE A 31 40.071 31.178 28.344 1.00 0.00 H new ATOM 0 HZ PHE A 31 37.977 30.634 29.513 1.00 0.00 H new ATOM 516 N LEU A 32 37.490 29.958 23.096 1.00 0.00 N ATOM 517 CA LEU A 32 36.596 31.065 22.949 1.00 0.00 C ATOM 518 C LEU A 32 35.590 30.871 21.866 1.00 0.00 C ATOM 519 O LEU A 32 34.457 31.338 21.971 1.00 0.00 O ATOM 520 CB LEU A 32 37.312 32.385 22.617 1.00 0.00 C ATOM 521 CG LEU A 32 38.787 32.489 23.040 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.509 33.410 22.043 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.929 32.947 24.502 1.00 0.00 C ATOM 0 H LEU A 32 38.404 30.104 22.667 1.00 0.00 H new ATOM 0 HA LEU A 32 36.113 31.118 23.925 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.254 32.544 21.540 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.763 33.200 23.090 1.00 0.00 H new ATOM 0 HG LEU A 32 39.258 31.506 23.008 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.558 33.499 22.324 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.436 32.989 21.040 1.00 0.00 H new ATOM 0 HD13 LEU A 32 39.045 34.396 22.057 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.985 33.008 24.763 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.468 33.927 24.623 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.434 32.230 25.157 1.00 0.00 H new ATOM 535 N GLU A 33 35.964 30.200 20.763 1.00 0.00 N ATOM 536 CA GLU A 33 35.061 29.824 19.719 1.00 0.00 C ATOM 537 C GLU A 33 33.849 29.084 20.169 1.00 0.00 C ATOM 538 O GLU A 33 32.749 29.332 19.676 1.00 0.00 O ATOM 539 CB GLU A 33 35.730 29.023 18.589 1.00 0.00 C ATOM 540 CG GLU A 33 36.552 29.910 17.654 1.00 0.00 C ATOM 541 CD GLU A 33 36.916 29.194 16.360 1.00 0.00 C ATOM 542 OE1 GLU A 33 36.015 28.982 15.505 1.00 0.00 O ATOM 543 OE2 GLU A 33 38.117 28.862 16.176 1.00 0.00 O ATOM 0 H GLU A 33 36.926 29.909 20.591 1.00 0.00 H new ATOM 0 HA GLU A 33 34.737 30.792 19.338 1.00 0.00 H new ATOM 0 HB2 GLU A 33 36.376 28.259 19.022 1.00 0.00 H new ATOM 0 HB3 GLU A 33 34.964 28.504 18.013 1.00 0.00 H new ATOM 0 HG2 GLU A 33 35.987 30.813 17.422 1.00 0.00 H new ATOM 0 HG3 GLU A 33 37.463 30.226 18.162 1.00 0.00 H new ATOM 550 N ILE A 34 33.986 28.190 21.165 1.00 0.00 N ATOM 551 CA ILE A 34 32.914 27.518 21.831 1.00 0.00 C ATOM 552 C ILE A 34 32.028 28.480 22.546 1.00 0.00 C ATOM 553 O ILE A 34 30.818 28.492 22.328 1.00 0.00 O ATOM 554 CB ILE A 34 33.480 26.434 22.698 1.00 0.00 C ATOM 555 CG1 ILE A 34 34.238 25.382 21.871 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.343 25.745 23.472 1.00 0.00 C ATOM 557 CD1 ILE A 34 35.162 24.500 22.711 1.00 0.00 C ATOM 0 H ILE A 34 34.901 27.921 21.526 1.00 0.00 H new ATOM 0 HA ILE A 34 32.260 27.037 21.104 1.00 0.00 H new ATOM 0 HB ILE A 34 34.184 26.896 23.390 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.517 24.750 21.352 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.827 25.888 21.106 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.757 24.957 24.102 1.00 0.00 H new ATOM 0 HG22 ILE A 34 31.832 26.478 24.096 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.634 25.311 22.767 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.665 23.781 22.065 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.905 25.122 23.209 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.575 23.967 23.459 1.00 0.00 H new ATOM 569 N LEU A 35 32.548 29.396 23.384 1.00 0.00 N ATOM 570 CA LEU A 35 31.735 30.372 24.041 1.00 0.00 C ATOM 571 C LEU A 35 31.142 31.423 23.169 1.00 0.00 C ATOM 572 O LEU A 35 30.131 32.042 23.495 1.00 0.00 O ATOM 573 CB LEU A 35 32.454 31.074 25.205 1.00 0.00 C ATOM 574 CG LEU A 35 33.520 30.262 25.959 1.00 0.00 C ATOM 575 CD1 LEU A 35 33.791 31.032 27.262 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.131 28.868 26.479 1.00 0.00 C ATOM 0 H LEU A 35 33.541 29.460 23.608 1.00 0.00 H new ATOM 0 HA LEU A 35 30.916 29.756 24.411 1.00 0.00 H new ATOM 0 HB2 LEU A 35 32.927 31.976 24.816 1.00 0.00 H new ATOM 0 HB3 LEU A 35 31.701 31.394 25.925 1.00 0.00 H new ATOM 0 HG LEU A 35 34.323 30.134 25.234 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.544 30.504 27.847 1.00 0.00 H new ATOM 0 HD12 LEU A 35 34.152 32.033 27.025 1.00 0.00 H new ATOM 0 HD13 LEU A 35 32.869 31.106 27.839 1.00 0.00 H new ATOM 0 HD21 LEU A 35 33.984 28.419 26.988 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.299 28.959 27.177 1.00 0.00 H new ATOM 0 HD23 LEU A 35 32.835 28.237 25.641 1.00 0.00 H new ATOM 588 N HIS A 36 31.727 31.699 21.989 1.00 0.00 N ATOM 589 CA HIS A 36 31.167 32.572 21.004 1.00 0.00 C ATOM 590 C HIS A 36 29.957 32.004 20.345 1.00 0.00 C ATOM 591 O HIS A 36 29.055 32.745 19.957 1.00 0.00 O ATOM 592 CB HIS A 36 32.201 32.983 19.941 1.00 0.00 C ATOM 593 CG HIS A 36 33.116 34.081 20.394 1.00 0.00 C ATOM 594 ND1 HIS A 36 32.630 35.343 20.612 1.00 0.00 N ATOM 595 CD2 HIS A 36 34.454 34.136 20.634 1.00 0.00 C ATOM 596 CE1 HIS A 36 33.624 36.138 20.963 1.00 0.00 C ATOM 597 NE2 HIS A 36 34.735 35.425 20.998 1.00 0.00 N ATOM 0 H HIS A 36 32.623 31.299 21.711 1.00 0.00 H new ATOM 0 HA HIS A 36 30.858 33.463 21.550 1.00 0.00 H new ATOM 0 HB2 HIS A 36 32.797 32.112 19.669 1.00 0.00 H new ATOM 0 HB3 HIS A 36 31.677 33.305 19.041 1.00 0.00 H new ATOM 0 HD2 HIS A 36 35.158 33.321 20.553 1.00 0.00 H new ATOM 0 HE1 HIS A 36 33.542 37.192 21.184 1.00 0.00 H new ATOM 0 HE2 HIS A 36 35.656 35.779 21.255 1.00 0.00 H new ATOM 606 N THR A 37 29.849 30.666 20.262 1.00 0.00 N ATOM 607 CA THR A 37 28.690 29.953 19.824 1.00 0.00 C ATOM 608 C THR A 37 27.519 30.153 20.721 1.00 0.00 C ATOM 609 O THR A 37 26.368 30.156 20.286 1.00 0.00 O ATOM 610 CB THR A 37 29.009 28.511 19.559 1.00 0.00 C ATOM 611 OG1 THR A 37 29.035 28.280 18.158 1.00 0.00 O ATOM 612 CG2 THR A 37 28.039 27.478 20.158 1.00 0.00 C ATOM 0 H THR A 37 30.618 30.045 20.516 1.00 0.00 H new ATOM 0 HA THR A 37 28.382 30.380 18.870 1.00 0.00 H new ATOM 0 HB THR A 37 29.971 28.363 20.050 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.245 27.338 17.986 1.00 0.00 H new ATOM 0 HG21 THR A 37 28.373 26.473 19.900 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.017 27.586 21.242 1.00 0.00 H new ATOM 0 HG23 THR A 37 27.039 27.642 19.757 1.00 0.00 H new ATOM 620 N TYR A 38 27.775 30.398 22.020 1.00 0.00 N ATOM 621 CA TYR A 38 26.802 30.801 22.986 1.00 0.00 C ATOM 622 C TYR A 38 26.435 32.238 22.844 1.00 0.00 C ATOM 623 O TYR A 38 25.279 32.586 22.608 1.00 0.00 O ATOM 624 CB TYR A 38 27.430 30.561 24.369 1.00 0.00 C ATOM 625 CG TYR A 38 26.622 30.755 25.606 1.00 0.00 C ATOM 626 CD1 TYR A 38 25.308 31.154 25.679 1.00 0.00 C ATOM 627 CD2 TYR A 38 27.325 30.557 26.772 1.00 0.00 C ATOM 628 CE1 TYR A 38 24.712 31.353 26.902 1.00 0.00 C ATOM 629 CE2 TYR A 38 26.741 30.777 27.997 1.00 0.00 C ATOM 630 CZ TYR A 38 25.429 31.184 28.063 1.00 0.00 C ATOM 631 OH TYR A 38 24.839 31.463 29.315 1.00 0.00 O ATOM 0 H TYR A 38 28.711 30.310 22.415 1.00 0.00 H new ATOM 0 HA TYR A 38 25.885 30.228 22.847 1.00 0.00 H new ATOM 0 HB2 TYR A 38 27.799 29.535 24.382 1.00 0.00 H new ATOM 0 HB3 TYR A 38 28.300 31.214 24.446 1.00 0.00 H new ATOM 0 HD1 TYR A 38 24.742 31.312 24.773 1.00 0.00 H new ATOM 0 HD2 TYR A 38 28.351 30.224 26.724 1.00 0.00 H new ATOM 0 HE1 TYR A 38 23.673 31.644 26.951 1.00 0.00 H new ATOM 0 HE2 TYR A 38 27.310 30.631 28.903 1.00 0.00 H new ATOM 0 HH TYR A 38 25.488 31.924 29.887 1.00 0.00 H new ATOM 641 N GLN A 39 27.420 33.138 23.013 1.00 0.00 N ATOM 642 CA GLN A 39 27.174 34.525 23.259 1.00 0.00 C ATOM 643 C GLN A 39 26.573 35.283 22.125 1.00 0.00 C ATOM 644 O GLN A 39 25.884 36.280 22.342 1.00 0.00 O ATOM 645 CB GLN A 39 28.473 35.157 23.786 1.00 0.00 C ATOM 646 CG GLN A 39 28.322 36.086 24.991 1.00 0.00 C ATOM 647 CD GLN A 39 27.592 37.398 24.739 1.00 0.00 C ATOM 648 OE1 GLN A 39 26.624 37.745 25.413 1.00 0.00 O ATOM 649 NE2 GLN A 39 28.105 38.196 23.764 1.00 0.00 N ATOM 0 H GLN A 39 28.410 32.896 22.978 1.00 0.00 H new ATOM 0 HA GLN A 39 26.390 34.589 24.013 1.00 0.00 H new ATOM 0 HB2 GLN A 39 29.162 34.356 24.053 1.00 0.00 H new ATOM 0 HB3 GLN A 39 28.937 35.718 22.975 1.00 0.00 H new ATOM 0 HG2 GLN A 39 27.794 35.545 25.777 1.00 0.00 H new ATOM 0 HG3 GLN A 39 29.316 36.315 25.374 1.00 0.00 H new ATOM 0 HE21 GLN A 39 28.909 37.883 23.220 1.00 0.00 H new ATOM 0 HE22 GLN A 39 27.686 39.107 23.577 1.00 0.00 H new ATOM 898 N SER A 54 22.323 25.124 25.257 1.00 0.00 N ATOM 899 CA SER A 54 22.702 24.535 26.504 1.00 0.00 C ATOM 900 C SER A 54 23.969 25.129 27.016 1.00 0.00 C ATOM 901 O SER A 54 25.034 24.960 26.424 1.00 0.00 O ATOM 902 CB SER A 54 22.943 23.019 26.423 1.00 0.00 C ATOM 903 OG SER A 54 21.756 22.303 26.117 1.00 0.00 O ATOM 0 HA SER A 54 21.858 24.735 27.165 1.00 0.00 H new ATOM 0 HB2 SER A 54 23.696 22.813 25.662 1.00 0.00 H new ATOM 0 HB3 SER A 54 23.344 22.665 27.373 1.00 0.00 H new ATOM 0 HG SER A 54 21.954 21.344 26.073 1.00 0.00 H new ATOM 909 N GLU A 55 23.936 25.783 28.191 1.00 0.00 N ATOM 910 CA GLU A 55 25.071 26.191 28.959 1.00 0.00 C ATOM 911 C GLU A 55 25.984 25.056 29.271 1.00 0.00 C ATOM 912 O GLU A 55 27.209 25.163 29.322 1.00 0.00 O ATOM 913 CB GLU A 55 24.624 26.790 30.303 1.00 0.00 C ATOM 914 CG GLU A 55 23.941 28.155 30.194 1.00 0.00 C ATOM 915 CD GLU A 55 22.474 28.120 29.790 1.00 0.00 C ATOM 916 OE1 GLU A 55 21.855 27.028 29.678 1.00 0.00 O ATOM 917 OE2 GLU A 55 21.917 29.226 29.559 1.00 0.00 O ATOM 0 H GLU A 55 23.055 26.044 28.634 1.00 0.00 H new ATOM 0 HA GLU A 55 25.597 26.925 28.349 1.00 0.00 H new ATOM 0 HB2 GLU A 55 23.940 26.093 30.787 1.00 0.00 H new ATOM 0 HB3 GLU A 55 25.495 26.884 30.952 1.00 0.00 H new ATOM 0 HG2 GLU A 55 24.024 28.662 31.156 1.00 0.00 H new ATOM 0 HG3 GLU A 55 24.486 28.758 29.468 1.00 0.00 H new ATOM 924 N GLU A 56 25.401 23.855 29.440 1.00 0.00 N ATOM 925 CA GLU A 56 26.113 22.639 29.681 1.00 0.00 C ATOM 926 C GLU A 56 26.932 22.188 28.521 1.00 0.00 C ATOM 927 O GLU A 56 27.835 21.376 28.712 1.00 0.00 O ATOM 928 CB GLU A 56 25.122 21.546 30.120 1.00 0.00 C ATOM 929 CG GLU A 56 24.292 21.885 31.358 1.00 0.00 C ATOM 930 CD GLU A 56 23.180 22.898 31.128 1.00 0.00 C ATOM 931 OE1 GLU A 56 22.655 22.962 29.985 1.00 0.00 O ATOM 932 OE2 GLU A 56 22.817 23.639 32.081 1.00 0.00 O ATOM 0 H GLU A 56 24.390 23.727 29.407 1.00 0.00 H new ATOM 0 HA GLU A 56 26.828 22.835 30.480 1.00 0.00 H new ATOM 0 HB2 GLU A 56 24.444 21.338 29.292 1.00 0.00 H new ATOM 0 HB3 GLU A 56 25.678 20.629 30.314 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.852 20.966 31.745 1.00 0.00 H new ATOM 0 HG3 GLU A 56 24.959 22.269 32.130 1.00 0.00 H new ATOM 939 N GLU A 57 26.685 22.627 27.275 1.00 0.00 N ATOM 940 CA GLU A 57 27.444 22.195 26.143 1.00 0.00 C ATOM 941 C GLU A 57 28.688 23.000 25.989 1.00 0.00 C ATOM 942 O GLU A 57 29.749 22.515 25.598 1.00 0.00 O ATOM 943 CB GLU A 57 26.685 22.095 24.809 1.00 0.00 C ATOM 944 CG GLU A 57 26.867 23.232 23.802 1.00 0.00 C ATOM 945 CD GLU A 57 26.246 22.844 22.467 1.00 0.00 C ATOM 946 OE1 GLU A 57 25.065 22.405 22.451 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.953 22.912 21.426 1.00 0.00 O ATOM 0 H GLU A 57 25.946 23.293 27.049 1.00 0.00 H new ATOM 0 HA GLU A 57 27.696 21.161 26.381 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.982 21.166 24.323 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.622 22.012 25.033 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.401 24.142 24.179 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.927 23.448 23.671 1.00 0.00 H new ATOM 954 N VAL A 58 28.580 24.303 26.305 1.00 0.00 N ATOM 955 CA VAL A 58 29.650 25.241 26.164 1.00 0.00 C ATOM 956 C VAL A 58 30.765 24.912 27.096 1.00 0.00 C ATOM 957 O VAL A 58 31.950 24.929 26.766 1.00 0.00 O ATOM 958 CB VAL A 58 29.082 26.627 26.247 1.00 0.00 C ATOM 959 CG1 VAL A 58 29.145 27.267 27.644 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.861 27.518 25.265 1.00 0.00 C ATOM 0 H VAL A 58 27.722 24.716 26.670 1.00 0.00 H new ATOM 0 HA VAL A 58 30.126 25.182 25.185 1.00 0.00 H new ATOM 0 HB VAL A 58 28.023 26.545 26.002 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.712 28.267 27.606 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.584 26.655 28.350 1.00 0.00 H new ATOM 0 HG13 VAL A 58 30.184 27.334 27.967 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.468 28.534 25.305 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.916 27.526 25.539 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.752 27.126 24.254 1.00 0.00 H new ATOM 970 N PHE A 59 30.348 24.440 28.284 1.00 0.00 N ATOM 971 CA PHE A 59 31.100 23.700 29.250 1.00 0.00 C ATOM 972 C PHE A 59 31.659 22.423 28.727 1.00 0.00 C ATOM 973 O PHE A 59 32.870 22.210 28.779 1.00 0.00 O ATOM 974 CB PHE A 59 30.122 23.454 30.411 1.00 0.00 C ATOM 975 CG PHE A 59 30.592 22.650 31.574 1.00 0.00 C ATOM 976 CD1 PHE A 59 31.687 23.029 32.315 1.00 0.00 C ATOM 977 CD2 PHE A 59 29.871 21.551 31.975 1.00 0.00 C ATOM 978 CE1 PHE A 59 32.050 22.330 33.442 1.00 0.00 C ATOM 979 CE2 PHE A 59 30.243 20.828 33.085 1.00 0.00 C ATOM 980 CZ PHE A 59 31.336 21.218 33.822 1.00 0.00 C ATOM 0 H PHE A 59 29.389 24.593 28.597 1.00 0.00 H new ATOM 0 HA PHE A 59 31.983 24.262 29.555 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.801 24.426 30.787 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.239 22.963 30.003 1.00 0.00 H new ATOM 0 HD1 PHE A 59 32.269 23.886 32.008 1.00 0.00 H new ATOM 0 HD2 PHE A 59 29.000 21.251 31.411 1.00 0.00 H new ATOM 0 HE1 PHE A 59 32.896 22.655 34.029 1.00 0.00 H new ATOM 0 HE2 PHE A 59 29.677 19.956 33.377 1.00 0.00 H new ATOM 0 HZ PHE A 59 31.632 20.654 34.694 1.00 0.00 H new ATOM 990 N THR A 60 30.828 21.510 28.192 1.00 0.00 N ATOM 991 CA THR A 60 31.204 20.223 27.697 1.00 0.00 C ATOM 992 C THR A 60 32.304 20.203 26.691 1.00 0.00 C ATOM 993 O THR A 60 33.190 19.352 26.740 1.00 0.00 O ATOM 994 CB THR A 60 30.055 19.379 27.232 1.00 0.00 C ATOM 995 OG1 THR A 60 30.142 18.069 27.772 1.00 0.00 O ATOM 996 CG2 THR A 60 29.894 19.226 25.709 1.00 0.00 C ATOM 0 H THR A 60 29.827 21.684 28.100 1.00 0.00 H new ATOM 0 HA THR A 60 31.615 19.766 28.597 1.00 0.00 H new ATOM 0 HB THR A 60 29.186 19.931 27.591 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.383 17.535 27.458 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.031 18.595 25.496 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.746 20.207 25.258 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.791 18.767 25.293 1.00 0.00 H new ATOM 1004 N GLU A 61 32.299 21.154 25.741 1.00 0.00 N ATOM 1005 CA GLU A 61 33.324 21.243 24.747 1.00 0.00 C ATOM 1006 C GLU A 61 34.606 21.742 25.321 1.00 0.00 C ATOM 1007 O GLU A 61 35.612 21.042 25.211 1.00 0.00 O ATOM 1008 CB GLU A 61 32.836 21.921 23.456 1.00 0.00 C ATOM 1009 CG GLU A 61 31.896 21.025 22.649 1.00 0.00 C ATOM 1010 CD GLU A 61 32.610 19.817 22.058 1.00 0.00 C ATOM 1011 OE1 GLU A 61 33.255 19.967 20.986 1.00 0.00 O ATOM 1012 OE2 GLU A 61 32.505 18.699 22.629 1.00 0.00 O ATOM 0 H GLU A 61 31.576 21.869 25.661 1.00 0.00 H new ATOM 0 HA GLU A 61 33.569 20.237 24.408 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.323 22.849 23.707 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.696 22.189 22.842 1.00 0.00 H new ATOM 0 HG2 GLU A 61 31.083 20.685 23.290 1.00 0.00 H new ATOM 0 HG3 GLU A 61 31.446 21.607 21.845 1.00 0.00 H new ATOM 1019 N VAL A 62 34.627 22.875 26.044 1.00 0.00 N ATOM 1020 CA VAL A 62 35.757 23.465 26.692 1.00 0.00 C ATOM 1021 C VAL A 62 36.467 22.562 27.641 1.00 0.00 C ATOM 1022 O VAL A 62 37.680 22.627 27.831 1.00 0.00 O ATOM 1023 CB VAL A 62 35.289 24.687 27.424 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.378 25.385 28.257 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.792 25.697 26.375 1.00 0.00 C ATOM 0 H VAL A 62 33.780 23.425 26.187 1.00 0.00 H new ATOM 0 HA VAL A 62 36.482 23.701 25.913 1.00 0.00 H new ATOM 0 HB VAL A 62 34.517 24.360 28.120 1.00 0.00 H new ATOM 0 HG11 VAL A 62 35.953 26.258 28.752 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.762 24.693 29.007 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.191 25.699 27.603 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.443 26.600 26.876 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.608 25.950 25.698 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.972 25.258 25.807 1.00 0.00 H new ATOM 1035 N ALA A 63 35.723 21.616 28.243 1.00 0.00 N ATOM 1036 CA ALA A 63 36.199 20.607 29.136 1.00 0.00 C ATOM 1037 C ALA A 63 37.194 19.706 28.491 1.00 0.00 C ATOM 1038 O ALA A 63 38.208 19.347 29.088 1.00 0.00 O ATOM 1039 CB ALA A 63 35.039 19.731 29.641 1.00 0.00 C ATOM 0 H ALA A 63 34.716 21.554 28.093 1.00 0.00 H new ATOM 0 HA ALA A 63 36.673 21.137 29.962 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.426 18.970 30.319 1.00 0.00 H new ATOM 0 HB2 ALA A 63 34.316 20.353 30.168 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.552 19.248 28.794 1.00 0.00 H new ATOM 1045 N ASN A 64 36.968 19.351 27.213 1.00 0.00 N ATOM 1046 CA ASN A 64 37.814 18.434 26.515 1.00 0.00 C ATOM 1047 C ASN A 64 39.159 19.025 26.265 1.00 0.00 C ATOM 1048 O ASN A 64 40.179 18.338 26.258 1.00 0.00 O ATOM 1049 CB ASN A 64 37.316 17.971 25.135 1.00 0.00 C ATOM 1050 CG ASN A 64 35.816 17.735 25.027 1.00 0.00 C ATOM 1051 OD1 ASN A 64 35.146 17.007 25.760 1.00 0.00 O ATOM 1052 ND2 ASN A 64 35.256 18.392 23.977 1.00 0.00 N ATOM 0 H ASN A 64 36.189 19.705 26.658 1.00 0.00 H new ATOM 0 HA ASN A 64 37.829 17.576 27.187 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.603 18.718 24.395 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.832 17.047 24.873 1.00 0.00 H new ATOM 0 HD21 ASN A 64 34.260 18.287 23.782 1.00 0.00 H new ATOM 0 HD22 ASN A 64 35.832 18.990 23.384 1.00 0.00 H new ATOM 1059 N LEU A 65 39.196 20.352 26.049 1.00 0.00 N ATOM 1060 CA LEU A 65 40.361 21.115 25.727 1.00 0.00 C ATOM 1061 C LEU A 65 41.371 21.087 26.823 1.00 0.00 C ATOM 1062 O LEU A 65 42.559 20.858 26.606 1.00 0.00 O ATOM 1063 CB LEU A 65 40.016 22.582 25.416 1.00 0.00 C ATOM 1064 CG LEU A 65 39.342 22.836 24.058 1.00 0.00 C ATOM 1065 CD1 LEU A 65 37.968 22.150 23.969 1.00 0.00 C ATOM 1066 CD2 LEU A 65 39.128 24.339 23.809 1.00 0.00 C ATOM 0 H LEU A 65 38.356 20.929 26.103 1.00 0.00 H new ATOM 0 HA LEU A 65 40.785 20.646 24.839 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.360 22.956 26.202 1.00 0.00 H new ATOM 0 HB3 LEU A 65 40.933 23.169 25.461 1.00 0.00 H new ATOM 0 HG LEU A 65 40.014 22.422 23.307 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.523 22.352 22.995 1.00 0.00 H new ATOM 0 HD12 LEU A 65 38.090 21.074 24.096 1.00 0.00 H new ATOM 0 HD13 LEU A 65 37.317 22.537 24.753 1.00 0.00 H new ATOM 0 HD21 LEU A 65 38.650 24.483 22.840 1.00 0.00 H new ATOM 0 HD22 LEU A 65 38.492 24.751 24.593 1.00 0.00 H new ATOM 0 HD23 LEU A 65 40.091 24.850 23.818 1.00 0.00 H new ATOM 1078 N PHE A 66 40.904 21.326 28.061 1.00 0.00 N ATOM 1079 CA PHE A 66 41.739 21.578 29.194 1.00 0.00 C ATOM 1080 C PHE A 66 42.035 20.320 29.936 1.00 0.00 C ATOM 1081 O PHE A 66 42.962 20.268 30.743 1.00 0.00 O ATOM 1082 CB PHE A 66 41.102 22.491 30.256 1.00 0.00 C ATOM 1083 CG PHE A 66 40.837 23.915 29.908 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.740 24.423 28.633 1.00 0.00 C ATOM 1085 CD2 PHE A 66 40.519 24.735 30.965 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.291 25.704 28.416 1.00 0.00 C ATOM 1087 CE2 PHE A 66 40.122 26.036 30.763 1.00 0.00 C ATOM 1088 CZ PHE A 66 40.003 26.521 29.482 1.00 0.00 C ATOM 0 H PHE A 66 39.908 21.344 28.281 1.00 0.00 H new ATOM 0 HA PHE A 66 42.620 22.049 28.758 1.00 0.00 H new ATOM 0 HB2 PHE A 66 40.155 22.041 30.553 1.00 0.00 H new ATOM 0 HB3 PHE A 66 41.749 22.480 31.133 1.00 0.00 H new ATOM 0 HD1 PHE A 66 41.020 23.807 27.791 1.00 0.00 H new ATOM 0 HD2 PHE A 66 40.582 24.350 31.972 1.00 0.00 H new ATOM 0 HE1 PHE A 66 40.165 26.068 27.407 1.00 0.00 H new ATOM 0 HE2 PHE A 66 39.905 26.674 31.607 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.685 27.539 29.315 1.00 0.00 H new ATOM 1098 N ARG A 67 41.194 19.296 29.713 1.00 0.00 N ATOM 1099 CA ARG A 67 41.020 18.066 30.422 1.00 0.00 C ATOM 1100 C ARG A 67 42.119 17.537 31.277 1.00 0.00 C ATOM 1101 O ARG A 67 43.234 17.239 30.852 1.00 0.00 O ATOM 1102 CB ARG A 67 40.535 17.016 29.406 1.00 0.00 C ATOM 1103 CG ARG A 67 39.891 15.796 30.067 1.00 0.00 C ATOM 1104 CD ARG A 67 39.400 14.733 29.082 1.00 0.00 C ATOM 1105 NE ARG A 67 39.383 13.447 29.833 1.00 0.00 N ATOM 1106 CZ ARG A 67 40.284 12.437 29.649 1.00 0.00 C ATOM 1107 NH1 ARG A 67 41.181 12.418 28.620 1.00 0.00 N ATOM 1108 NH2 ARG A 67 40.322 11.406 30.542 1.00 0.00 N ATOM 0 H ARG A 67 40.548 19.342 28.925 1.00 0.00 H new ATOM 0 HA ARG A 67 40.293 18.303 31.199 1.00 0.00 H new ATOM 0 HB2 ARG A 67 39.815 17.478 28.730 1.00 0.00 H new ATOM 0 HB3 ARG A 67 41.379 16.690 28.798 1.00 0.00 H new ATOM 0 HG2 ARG A 67 40.613 15.341 30.745 1.00 0.00 H new ATOM 0 HG3 ARG A 67 39.049 16.128 30.675 1.00 0.00 H new ATOM 0 HD2 ARG A 67 38.406 14.978 28.708 1.00 0.00 H new ATOM 0 HD3 ARG A 67 40.060 14.670 28.217 1.00 0.00 H new ATOM 0 HE ARG A 67 38.651 13.312 30.530 1.00 0.00 H new ATOM 0 HH11 ARG A 67 41.199 13.182 27.945 1.00 0.00 H new ATOM 0 HH12 ARG A 67 41.834 11.640 28.527 1.00 0.00 H new ATOM 0 HH21 ARG A 67 39.682 11.395 31.336 1.00 0.00 H new ATOM 0 HH22 ARG A 67 40.990 10.646 30.415 1.00 0.00 H new ATOM 1122 N GLY A 68 41.792 17.404 32.576 1.00 0.00 N ATOM 1123 CA GLY A 68 42.684 17.049 33.636 1.00 0.00 C ATOM 1124 C GLY A 68 42.844 18.178 34.596 1.00 0.00 C ATOM 1125 O GLY A 68 43.083 17.970 35.784 1.00 0.00 O ATOM 0 H GLY A 68 40.839 17.555 32.906 1.00 0.00 H new ATOM 0 HA2 GLY A 68 42.303 16.172 34.160 1.00 0.00 H new ATOM 0 HA3 GLY A 68 43.655 16.776 33.224 1.00 0.00 H new ATOM 1129 N GLN A 69 42.720 19.428 34.116 1.00 0.00 N ATOM 1130 CA GLN A 69 42.819 20.604 34.924 1.00 0.00 C ATOM 1131 C GLN A 69 41.507 21.012 35.499 1.00 0.00 C ATOM 1132 O GLN A 69 40.875 21.995 35.116 1.00 0.00 O ATOM 1133 CB GLN A 69 43.404 21.791 34.142 1.00 0.00 C ATOM 1134 CG GLN A 69 44.772 21.491 33.527 1.00 0.00 C ATOM 1135 CD GLN A 69 45.416 22.753 32.971 1.00 0.00 C ATOM 1136 OE1 GLN A 69 46.149 23.448 33.674 1.00 0.00 O ATOM 1137 NE2 GLN A 69 45.136 23.072 31.680 1.00 0.00 N ATOM 0 H GLN A 69 42.545 19.627 33.131 1.00 0.00 H new ATOM 0 HA GLN A 69 43.493 20.339 35.738 1.00 0.00 H new ATOM 0 HB2 GLN A 69 42.711 22.073 33.350 1.00 0.00 H new ATOM 0 HB3 GLN A 69 43.493 22.649 34.809 1.00 0.00 H new ATOM 0 HG2 GLN A 69 45.423 21.049 34.281 1.00 0.00 H new ATOM 0 HG3 GLN A 69 44.662 20.755 32.731 1.00 0.00 H new ATOM 0 HE21 GLN A 69 44.524 22.472 31.128 1.00 0.00 H new ATOM 0 HE22 GLN A 69 45.538 23.912 31.263 1.00 0.00 H new ATOM 1146 N GLU A 70 41.062 20.247 36.513 1.00 0.00 N ATOM 1147 CA GLU A 70 39.773 20.323 37.128 1.00 0.00 C ATOM 1148 C GLU A 70 39.589 21.530 37.981 1.00 0.00 C ATOM 1149 O GLU A 70 38.463 21.943 38.255 1.00 0.00 O ATOM 1150 CB GLU A 70 39.453 19.031 37.898 1.00 0.00 C ATOM 1151 CG GLU A 70 39.360 17.800 36.995 1.00 0.00 C ATOM 1152 CD GLU A 70 39.039 16.498 37.714 1.00 0.00 C ATOM 1153 OE1 GLU A 70 39.075 16.433 38.971 1.00 0.00 O ATOM 1154 OE2 GLU A 70 38.796 15.491 36.995 1.00 0.00 O ATOM 0 H GLU A 70 41.647 19.524 36.932 1.00 0.00 H new ATOM 0 HA GLU A 70 39.054 20.428 36.316 1.00 0.00 H new ATOM 0 HB2 GLU A 70 40.223 18.864 38.651 1.00 0.00 H new ATOM 0 HB3 GLU A 70 38.510 19.156 38.429 1.00 0.00 H new ATOM 0 HG2 GLU A 70 38.594 17.979 36.240 1.00 0.00 H new ATOM 0 HG3 GLU A 70 40.307 17.682 36.468 1.00 0.00 H new ATOM 1161 N ASP A 71 40.694 22.172 38.400 1.00 0.00 N ATOM 1162 CA ASP A 71 40.760 23.456 39.027 1.00 0.00 C ATOM 1163 C ASP A 71 40.087 24.531 38.246 1.00 0.00 C ATOM 1164 O ASP A 71 39.403 25.397 38.789 1.00 0.00 O ATOM 1165 CB ASP A 71 42.231 23.879 39.175 1.00 0.00 C ATOM 1166 CG ASP A 71 42.926 23.182 40.336 1.00 0.00 C ATOM 1167 OD1 ASP A 71 42.817 21.934 40.465 1.00 0.00 O ATOM 1168 OD2 ASP A 71 43.601 23.889 41.131 1.00 0.00 O ATOM 0 H ASP A 71 41.619 21.756 38.290 1.00 0.00 H new ATOM 0 HA ASP A 71 40.253 23.346 39.985 1.00 0.00 H new ATOM 0 HB2 ASP A 71 42.764 23.656 38.251 1.00 0.00 H new ATOM 0 HB3 ASP A 71 42.282 24.958 39.321 1.00 0.00 H new ATOM 1173 N LEU A 72 40.258 24.524 36.912 1.00 0.00 N ATOM 1174 CA LEU A 72 39.718 25.528 36.049 1.00 0.00 C ATOM 1175 C LEU A 72 38.253 25.358 35.831 1.00 0.00 C ATOM 1176 O LEU A 72 37.499 26.325 35.925 1.00 0.00 O ATOM 1177 CB LEU A 72 40.490 25.553 34.719 1.00 0.00 C ATOM 1178 CG LEU A 72 42.005 25.764 34.891 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.701 25.736 33.520 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.362 27.080 35.602 1.00 0.00 C ATOM 0 H LEU A 72 40.785 23.802 36.421 1.00 0.00 H new ATOM 0 HA LEU A 72 39.842 26.493 36.540 1.00 0.00 H new ATOM 0 HB2 LEU A 72 40.320 24.614 34.192 1.00 0.00 H new ATOM 0 HB3 LEU A 72 40.090 26.349 34.091 1.00 0.00 H new ATOM 0 HG LEU A 72 42.354 24.947 35.522 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.772 25.886 33.653 1.00 0.00 H new ATOM 0 HD12 LEU A 72 42.526 24.772 33.043 1.00 0.00 H new ATOM 0 HD13 LEU A 72 42.298 26.530 32.891 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.445 27.164 35.690 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.978 27.921 35.025 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.916 27.089 36.596 1.00 0.00 H new ATOM 1192 N LEU A 73 37.762 24.126 35.605 1.00 0.00 N ATOM 1193 CA LEU A 73 36.381 23.833 35.378 1.00 0.00 C ATOM 1194 C LEU A 73 35.534 24.073 36.580 1.00 0.00 C ATOM 1195 O LEU A 73 34.324 24.288 36.522 1.00 0.00 O ATOM 1196 CB LEU A 73 36.140 22.371 34.969 1.00 0.00 C ATOM 1197 CG LEU A 73 36.478 22.034 33.507 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.597 22.820 32.522 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.983 22.190 33.230 1.00 0.00 C ATOM 0 H LEU A 73 38.355 23.297 35.579 1.00 0.00 H new ATOM 0 HA LEU A 73 36.103 24.509 34.570 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.732 21.727 35.619 1.00 0.00 H new ATOM 0 HB3 LEU A 73 35.092 22.129 35.148 1.00 0.00 H new ATOM 0 HG LEU A 73 36.243 20.982 33.343 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.867 22.554 31.500 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.549 22.575 32.696 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.749 23.889 32.671 1.00 0.00 H new ATOM 0 HD21 LEU A 73 38.189 21.944 32.188 1.00 0.00 H new ATOM 0 HD22 LEU A 73 38.284 23.219 33.427 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.544 21.517 33.879 1.00 0.00 H new ATOM 1211 N SER A 74 36.192 24.070 37.753 1.00 0.00 N ATOM 1212 CA SER A 74 35.637 24.407 39.027 1.00 0.00 C ATOM 1213 C SER A 74 35.235 25.842 39.067 1.00 0.00 C ATOM 1214 O SER A 74 34.086 26.190 39.336 1.00 0.00 O ATOM 1215 CB SER A 74 36.617 24.123 40.177 1.00 0.00 C ATOM 1216 OG SER A 74 35.958 24.104 41.435 1.00 0.00 O ATOM 0 H SER A 74 37.178 23.815 37.814 1.00 0.00 H new ATOM 0 HA SER A 74 34.758 23.777 39.162 1.00 0.00 H new ATOM 0 HB2 SER A 74 37.108 23.164 40.009 1.00 0.00 H new ATOM 0 HB3 SER A 74 37.398 24.884 40.186 1.00 0.00 H new ATOM 0 HG SER A 74 36.610 23.919 42.143 1.00 0.00 H new ATOM 1222 N GLU A 75 36.170 26.743 38.717 1.00 0.00 N ATOM 1223 CA GLU A 75 35.939 28.152 38.622 1.00 0.00 C ATOM 1224 C GLU A 75 35.077 28.554 37.475 1.00 0.00 C ATOM 1225 O GLU A 75 34.440 29.604 37.525 1.00 0.00 O ATOM 1226 CB GLU A 75 37.259 28.941 38.642 1.00 0.00 C ATOM 1227 CG GLU A 75 37.964 28.780 39.991 1.00 0.00 C ATOM 1228 CD GLU A 75 39.081 29.789 40.216 1.00 0.00 C ATOM 1229 OE1 GLU A 75 40.210 29.606 39.688 1.00 0.00 O ATOM 1230 OE2 GLU A 75 38.825 30.789 40.938 1.00 0.00 O ATOM 0 H GLU A 75 37.129 26.479 38.490 1.00 0.00 H new ATOM 0 HA GLU A 75 35.369 28.413 39.514 1.00 0.00 H new ATOM 0 HB2 GLU A 75 37.910 28.590 37.841 1.00 0.00 H new ATOM 0 HB3 GLU A 75 37.061 29.996 38.453 1.00 0.00 H new ATOM 0 HG2 GLU A 75 37.229 28.879 40.790 1.00 0.00 H new ATOM 0 HG3 GLU A 75 38.376 27.773 40.059 1.00 0.00 H new ATOM 1237 N PHE A 76 34.922 27.693 36.454 1.00 0.00 N ATOM 1238 CA PHE A 76 33.969 27.835 35.396 1.00 0.00 C ATOM 1239 C PHE A 76 32.568 27.806 35.903 1.00 0.00 C ATOM 1240 O PHE A 76 31.661 28.423 35.346 1.00 0.00 O ATOM 1241 CB PHE A 76 34.159 26.719 34.356 1.00 0.00 C ATOM 1242 CG PHE A 76 33.628 27.015 32.995 1.00 0.00 C ATOM 1243 CD1 PHE A 76 34.416 27.682 32.088 1.00 0.00 C ATOM 1244 CD2 PHE A 76 32.414 26.523 32.579 1.00 0.00 C ATOM 1245 CE1 PHE A 76 34.044 27.794 30.769 1.00 0.00 C ATOM 1246 CE2 PHE A 76 32.026 26.641 31.266 1.00 0.00 C ATOM 1247 CZ PHE A 76 32.854 27.248 30.351 1.00 0.00 C ATOM 0 H PHE A 76 35.492 26.852 36.361 1.00 0.00 H new ATOM 0 HA PHE A 76 34.142 28.806 34.933 1.00 0.00 H new ATOM 0 HB2 PHE A 76 35.224 26.501 34.272 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.677 25.814 34.727 1.00 0.00 H new ATOM 0 HD1 PHE A 76 35.344 28.126 32.417 1.00 0.00 H new ATOM 0 HD2 PHE A 76 31.760 26.040 33.290 1.00 0.00 H new ATOM 0 HE1 PHE A 76 34.683 28.308 30.066 1.00 0.00 H new ATOM 0 HE2 PHE A 76 31.067 26.256 30.952 1.00 0.00 H new ATOM 0 HZ PHE A 76 32.571 27.295 29.310 1.00 0.00 H new ATOM 1257 N GLY A 77 32.344 27.139 37.048 1.00 0.00 N ATOM 1258 CA GLY A 77 31.101 27.041 37.748 1.00 0.00 C ATOM 1259 C GLY A 77 30.545 28.329 38.248 1.00 0.00 C ATOM 1260 O GLY A 77 29.358 28.418 38.559 1.00 0.00 O ATOM 0 H GLY A 77 33.090 26.629 37.520 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.367 26.580 37.087 1.00 0.00 H new ATOM 0 HA3 GLY A 77 31.233 26.369 38.596 1.00 0.00 H new ATOM 1264 N GLN A 78 31.355 29.395 38.371 1.00 0.00 N ATOM 1265 CA GLN A 78 30.877 30.695 38.729 1.00 0.00 C ATOM 1266 C GLN A 78 30.187 31.368 37.594 1.00 0.00 C ATOM 1267 O GLN A 78 29.269 32.167 37.777 1.00 0.00 O ATOM 1268 CB GLN A 78 32.040 31.581 39.210 1.00 0.00 C ATOM 1269 CG GLN A 78 32.798 30.901 40.352 1.00 0.00 C ATOM 1270 CD GLN A 78 33.746 31.856 41.062 1.00 0.00 C ATOM 1271 OE1 GLN A 78 33.452 32.352 42.149 1.00 0.00 O ATOM 1272 NE2 GLN A 78 34.911 32.157 40.426 1.00 0.00 N ATOM 0 H GLN A 78 32.363 29.354 38.219 1.00 0.00 H new ATOM 0 HA GLN A 78 30.156 30.558 39.535 1.00 0.00 H new ATOM 0 HB2 GLN A 78 32.720 31.779 38.382 1.00 0.00 H new ATOM 0 HB3 GLN A 78 31.656 32.545 39.544 1.00 0.00 H new ATOM 0 HG2 GLN A 78 32.084 30.499 41.071 1.00 0.00 H new ATOM 0 HG3 GLN A 78 33.363 30.056 39.958 1.00 0.00 H new ATOM 0 HE21 GLN A 78 35.126 31.729 39.525 1.00 0.00 H new ATOM 0 HE22 GLN A 78 35.569 32.811 40.850 1.00 0.00 H new ATOM 1466 N ASN B 201 28.218 35.692 34.086 1.00 0.00 N ATOM 1467 CA ASN B 201 27.850 34.602 33.235 1.00 0.00 C ATOM 1468 C ASN B 201 29.058 34.428 32.381 1.00 0.00 C ATOM 1469 O ASN B 201 30.015 35.192 32.499 1.00 0.00 O ATOM 1470 CB ASN B 201 26.570 34.881 32.428 1.00 0.00 C ATOM 1471 CG ASN B 201 25.871 33.614 31.957 1.00 0.00 C ATOM 1472 OD1 ASN B 201 26.401 32.817 31.184 1.00 0.00 O ATOM 1473 ND2 ASN B 201 24.603 33.404 32.405 1.00 0.00 N ATOM 0 HA ASN B 201 27.591 33.698 33.786 1.00 0.00 H new ATOM 0 HB2 ASN B 201 25.881 35.462 33.041 1.00 0.00 H new ATOM 0 HB3 ASN B 201 26.820 35.494 31.562 1.00 0.00 H new ATOM 0 HD21 ASN B 201 24.084 32.580 32.100 1.00 0.00 H new ATOM 0 HD22 ASN B 201 24.172 34.070 33.046 1.00 0.00 H new ATOM 1480 N ILE B 202 29.072 33.457 31.450 1.00 0.00 N ATOM 1481 CA ILE B 202 30.090 33.178 30.485 1.00 0.00 C ATOM 1482 C ILE B 202 30.409 34.339 29.608 1.00 0.00 C ATOM 1483 O ILE B 202 31.532 34.494 29.131 1.00 0.00 O ATOM 1484 CB ILE B 202 29.668 31.977 29.691 1.00 0.00 C ATOM 1485 CG1 ILE B 202 29.829 30.668 30.483 1.00 0.00 C ATOM 1486 CG2 ILE B 202 30.295 31.895 28.289 1.00 0.00 C ATOM 1487 CD1 ILE B 202 31.243 30.106 30.635 1.00 0.00 C ATOM 0 H ILE B 202 28.292 32.805 31.367 1.00 0.00 H new ATOM 0 HA ILE B 202 31.020 32.970 31.014 1.00 0.00 H new ATOM 0 HB ILE B 202 28.602 32.116 29.513 1.00 0.00 H new ATOM 0 HG12 ILE B 202 29.420 30.826 31.481 1.00 0.00 H new ATOM 0 HG13 ILE B 202 29.214 29.907 30.004 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.938 30.998 27.783 1.00 0.00 H new ATOM 0 HG22 ILE B 202 30.012 32.775 27.712 1.00 0.00 H new ATOM 0 HG23 ILE B 202 31.381 31.854 28.378 1.00 0.00 H new ATOM 0 HD11 ILE B 202 31.207 29.183 31.214 1.00 0.00 H new ATOM 0 HD12 ILE B 202 31.661 29.900 29.649 1.00 0.00 H new ATOM 0 HD13 ILE B 202 31.870 30.834 31.150 1.00 0.00 H new ATOM 1499 N GLN B 203 29.440 35.248 29.400 1.00 0.00 N ATOM 1500 CA GLN B 203 29.494 36.455 28.634 1.00 0.00 C ATOM 1501 C GLN B 203 30.737 37.273 28.708 1.00 0.00 C ATOM 1502 O GLN B 203 31.268 37.699 27.683 1.00 0.00 O ATOM 1503 CB GLN B 203 28.227 37.261 28.968 1.00 0.00 C ATOM 1504 CG GLN B 203 28.130 38.676 28.393 1.00 0.00 C ATOM 1505 CD GLN B 203 28.562 39.732 29.399 1.00 0.00 C ATOM 1506 OE1 GLN B 203 28.254 39.663 30.589 1.00 0.00 O ATOM 1507 NE2 GLN B 203 29.297 40.775 28.926 1.00 0.00 N ATOM 0 H GLN B 203 28.518 35.120 29.816 1.00 0.00 H new ATOM 0 HA GLN B 203 29.529 36.156 27.587 1.00 0.00 H new ATOM 0 HB2 GLN B 203 27.364 36.694 28.619 1.00 0.00 H new ATOM 0 HB3 GLN B 203 28.146 37.330 30.053 1.00 0.00 H new ATOM 0 HG2 GLN B 203 28.753 38.748 27.502 1.00 0.00 H new ATOM 0 HG3 GLN B 203 27.104 38.871 28.081 1.00 0.00 H new ATOM 0 HE21 GLN B 203 29.544 40.818 27.937 1.00 0.00 H new ATOM 0 HE22 GLN B 203 29.601 41.514 29.560 1.00 0.00 H new ATOM 1516 N MET B 204 31.294 37.495 29.912 1.00 0.00 N ATOM 1517 CA MET B 204 32.507 38.232 30.089 1.00 0.00 C ATOM 1518 C MET B 204 33.744 37.556 29.608 1.00 0.00 C ATOM 1519 O MET B 204 34.752 38.219 29.372 1.00 0.00 O ATOM 1520 CB MET B 204 32.724 38.669 31.547 1.00 0.00 C ATOM 1521 CG MET B 204 31.609 39.582 32.061 1.00 0.00 C ATOM 1522 SD MET B 204 30.378 38.742 33.100 1.00 0.00 S ATOM 1523 CE MET B 204 31.381 38.970 34.596 1.00 0.00 C ATOM 0 H MET B 204 30.891 37.154 30.785 1.00 0.00 H new ATOM 0 HA MET B 204 32.350 39.102 29.452 1.00 0.00 H new ATOM 0 HB2 MET B 204 32.786 37.785 32.182 1.00 0.00 H new ATOM 0 HB3 MET B 204 33.679 39.187 31.628 1.00 0.00 H new ATOM 0 HG2 MET B 204 32.056 40.396 32.632 1.00 0.00 H new ATOM 0 HG3 MET B 204 31.101 40.032 31.208 1.00 0.00 H new ATOM 0 HE1 MET B 204 30.955 38.386 35.412 1.00 0.00 H new ATOM 0 HE2 MET B 204 32.401 38.636 34.405 1.00 0.00 H new ATOM 0 HE3 MET B 204 31.390 40.025 34.871 1.00 0.00 H new ATOM 1533 N LEU B 205 33.768 36.223 29.430 1.00 0.00 N ATOM 1534 CA LEU B 205 34.936 35.512 29.010 1.00 0.00 C ATOM 1535 C LEU B 205 35.487 35.913 27.685 1.00 0.00 C ATOM 1536 O LEU B 205 36.698 36.000 27.484 1.00 0.00 O ATOM 1537 CB LEU B 205 34.770 33.983 29.040 1.00 0.00 C ATOM 1538 CG LEU B 205 34.849 33.335 30.433 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.523 31.834 30.356 1.00 0.00 C ATOM 1540 CD2 LEU B 205 36.249 33.518 31.044 1.00 0.00 C ATOM 0 H LEU B 205 32.956 35.625 29.582 1.00 0.00 H new ATOM 0 HA LEU B 205 35.663 35.811 29.765 1.00 0.00 H new ATOM 0 HB2 LEU B 205 33.807 33.731 28.595 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.539 33.539 28.408 1.00 0.00 H new ATOM 0 HG LEU B 205 34.114 33.830 31.068 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.585 31.397 31.352 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.515 31.700 29.963 1.00 0.00 H new ATOM 0 HD13 LEU B 205 35.238 31.340 29.698 1.00 0.00 H new ATOM 0 HD21 LEU B 205 36.280 33.052 32.029 1.00 0.00 H new ATOM 0 HD22 LEU B 205 36.992 33.051 30.398 1.00 0.00 H new ATOM 0 HD23 LEU B 205 36.468 34.581 31.139 1.00 0.00 H new ATOM 1552 N LEU B 206 34.581 36.238 26.746 1.00 0.00 N ATOM 1553 CA LEU B 206 34.929 36.685 25.433 1.00 0.00 C ATOM 1554 C LEU B 206 35.489 38.066 25.433 1.00 0.00 C ATOM 1555 O LEU B 206 36.318 38.394 24.586 1.00 0.00 O ATOM 1556 CB LEU B 206 33.656 36.564 24.580 1.00 0.00 C ATOM 1557 CG LEU B 206 33.082 35.141 24.484 1.00 0.00 C ATOM 1558 CD1 LEU B 206 34.211 34.138 24.200 1.00 0.00 C ATOM 1559 CD2 LEU B 206 32.184 34.683 25.646 1.00 0.00 C ATOM 0 H LEU B 206 33.575 36.188 26.905 1.00 0.00 H new ATOM 0 HA LEU B 206 35.727 36.071 25.016 1.00 0.00 H new ATOM 0 HB2 LEU B 206 32.893 37.222 24.995 1.00 0.00 H new ATOM 0 HB3 LEU B 206 33.873 36.922 23.574 1.00 0.00 H new ATOM 0 HG LEU B 206 32.387 35.174 23.645 1.00 0.00 H new ATOM 0 HD11 LEU B 206 33.796 33.132 24.133 1.00 0.00 H new ATOM 0 HD12 LEU B 206 34.696 34.393 23.258 1.00 0.00 H new ATOM 0 HD13 LEU B 206 34.943 34.176 25.007 1.00 0.00 H new ATOM 0 HD21 LEU B 206 31.842 33.665 25.462 1.00 0.00 H new ATOM 0 HD22 LEU B 206 32.750 34.713 26.577 1.00 0.00 H new ATOM 0 HD23 LEU B 206 31.323 35.346 25.724 1.00 0.00 H new ATOM 1571 N GLU B 207 35.086 38.909 26.401 1.00 0.00 N ATOM 1572 CA GLU B 207 35.566 40.253 26.493 1.00 0.00 C ATOM 1573 C GLU B 207 36.877 40.338 27.194 1.00 0.00 C ATOM 1574 O GLU B 207 37.783 41.050 26.763 1.00 0.00 O ATOM 1575 CB GLU B 207 34.511 41.270 26.961 1.00 0.00 C ATOM 1576 CG GLU B 207 34.318 41.500 28.462 1.00 0.00 C ATOM 1577 CD GLU B 207 33.241 42.542 28.725 1.00 0.00 C ATOM 1578 OE1 GLU B 207 33.470 43.750 28.453 1.00 0.00 O ATOM 1579 OE2 GLU B 207 32.139 42.164 29.209 1.00 0.00 O ATOM 0 H GLU B 207 34.419 38.655 27.129 1.00 0.00 H new ATOM 0 HA GLU B 207 35.769 40.572 25.471 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.757 42.231 26.510 1.00 0.00 H new ATOM 0 HB3 GLU B 207 33.550 40.961 26.549 1.00 0.00 H new ATOM 0 HG2 GLU B 207 34.045 40.561 28.944 1.00 0.00 H new ATOM 0 HG3 GLU B 207 35.259 41.825 28.907 1.00 0.00 H new ATOM 1586 N ALA B 208 37.049 39.558 28.276 1.00 0.00 N ATOM 1587 CA ALA B 208 38.266 39.413 29.012 1.00 0.00 C ATOM 1588 C ALA B 208 39.397 38.889 28.196 1.00 0.00 C ATOM 1589 O ALA B 208 40.507 39.417 28.252 1.00 0.00 O ATOM 1590 CB ALA B 208 38.059 38.492 30.227 1.00 0.00 C ATOM 0 H ALA B 208 36.291 38.994 28.660 1.00 0.00 H new ATOM 0 HA ALA B 208 38.535 40.419 29.335 1.00 0.00 H new ATOM 0 HB1 ALA B 208 38.997 38.395 30.774 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.300 38.919 30.882 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.734 37.509 29.887 1.00 0.00 H new ATOM 1596 N ALA B 209 39.155 37.854 27.372 1.00 0.00 N ATOM 1597 CA ALA B 209 40.121 37.289 26.482 1.00 0.00 C ATOM 1598 C ALA B 209 40.762 38.232 25.522 1.00 0.00 C ATOM 1599 O ALA B 209 41.980 38.196 25.351 1.00 0.00 O ATOM 1600 CB ALA B 209 39.473 36.151 25.677 1.00 0.00 C ATOM 0 H ALA B 209 38.247 37.391 27.324 1.00 0.00 H new ATOM 0 HA ALA B 209 40.922 36.944 27.136 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.209 35.720 24.998 1.00 0.00 H new ATOM 0 HB2 ALA B 209 39.114 35.381 26.360 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.635 36.544 25.101 1.00 0.00 H new ATOM 1606 N ASP B 210 39.989 39.119 24.871 1.00 0.00 N ATOM 1607 CA ASP B 210 40.490 40.036 23.894 1.00 0.00 C ATOM 1608 C ASP B 210 41.273 41.144 24.507 1.00 0.00 C ATOM 1609 O ASP B 210 42.336 41.516 24.013 1.00 0.00 O ATOM 1610 CB ASP B 210 39.308 40.582 23.075 1.00 0.00 C ATOM 1611 CG ASP B 210 39.669 40.626 21.596 1.00 0.00 C ATOM 1612 OD1 ASP B 210 39.486 39.580 20.916 1.00 0.00 O ATOM 1613 OD2 ASP B 210 40.090 41.699 21.089 1.00 0.00 O ATOM 0 H ASP B 210 38.985 39.201 25.029 1.00 0.00 H new ATOM 0 HA ASP B 210 41.180 39.503 23.240 1.00 0.00 H new ATOM 0 HB2 ASP B 210 38.431 39.952 23.224 1.00 0.00 H new ATOM 0 HB3 ASP B 210 39.046 41.581 23.423 1.00 0.00 H new ATOM 1618 N TYR B 211 40.796 41.663 25.652 1.00 0.00 N ATOM 1619 CA TYR B 211 41.452 42.585 26.525 1.00 0.00 C ATOM 1620 C TYR B 211 42.804 42.101 26.925 1.00 0.00 C ATOM 1621 O TYR B 211 43.806 42.802 26.799 1.00 0.00 O ATOM 1622 CB TYR B 211 40.528 42.820 27.732 1.00 0.00 C ATOM 1623 CG TYR B 211 41.122 43.477 28.930 1.00 0.00 C ATOM 1624 CD1 TYR B 211 41.223 44.846 29.014 1.00 0.00 C ATOM 1625 CD2 TYR B 211 41.539 42.712 29.993 1.00 0.00 C ATOM 1626 CE1 TYR B 211 41.713 45.440 30.154 1.00 0.00 C ATOM 1627 CE2 TYR B 211 42.036 43.300 31.132 1.00 0.00 C ATOM 1628 CZ TYR B 211 42.112 44.670 31.221 1.00 0.00 C ATOM 1629 OH TYR B 211 42.562 45.266 32.417 1.00 0.00 O ATOM 0 H TYR B 211 39.868 41.414 25.995 1.00 0.00 H new ATOM 0 HA TYR B 211 41.629 43.531 26.013 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.685 43.425 27.399 1.00 0.00 H new ATOM 0 HB3 TYR B 211 40.125 41.855 28.041 1.00 0.00 H new ATOM 0 HD1 TYR B 211 40.916 45.459 28.179 1.00 0.00 H new ATOM 0 HD2 TYR B 211 41.475 41.636 29.933 1.00 0.00 H new ATOM 0 HE1 TYR B 211 41.785 46.516 30.211 1.00 0.00 H new ATOM 0 HE2 TYR B 211 42.367 42.686 31.957 1.00 0.00 H new ATOM 0 HH TYR B 211 42.801 44.567 33.061 1.00 0.00 H new ATOM 1639 N LEU B 212 42.902 40.865 27.447 1.00 0.00 N ATOM 1640 CA LEU B 212 44.096 40.325 28.018 1.00 0.00 C ATOM 1641 C LEU B 212 45.069 39.848 26.995 1.00 0.00 C ATOM 1642 O LEU B 212 46.281 39.893 27.202 1.00 0.00 O ATOM 1643 CB LEU B 212 43.513 39.267 28.970 1.00 0.00 C ATOM 1644 CG LEU B 212 44.557 38.446 29.745 1.00 0.00 C ATOM 1645 CD1 LEU B 212 45.553 39.299 30.548 1.00 0.00 C ATOM 1646 CD2 LEU B 212 43.809 37.464 30.662 1.00 0.00 C ATOM 0 H LEU B 212 42.116 40.215 27.472 1.00 0.00 H new ATOM 0 HA LEU B 212 44.730 41.037 28.546 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.859 39.765 29.686 1.00 0.00 H new ATOM 0 HB3 LEU B 212 42.891 38.583 28.392 1.00 0.00 H new ATOM 0 HG LEU B 212 45.170 37.913 29.018 1.00 0.00 H new ATOM 0 HD11 LEU B 212 46.256 38.647 31.066 1.00 0.00 H new ATOM 0 HD12 LEU B 212 46.099 39.955 29.870 1.00 0.00 H new ATOM 0 HD13 LEU B 212 45.011 39.901 31.278 1.00 0.00 H new ATOM 0 HD21 LEU B 212 44.530 36.869 31.223 1.00 0.00 H new ATOM 0 HD22 LEU B 212 43.180 38.021 31.356 1.00 0.00 H new ATOM 0 HD23 LEU B 212 43.186 36.804 30.058 1.00 0.00 H new ATOM 1658 N GLU B 213 44.592 39.450 25.802 1.00 0.00 N ATOM 1659 CA GLU B 213 45.374 39.248 24.622 1.00 0.00 C ATOM 1660 C GLU B 213 46.080 40.490 24.198 1.00 0.00 C ATOM 1661 O GLU B 213 47.278 40.478 23.920 1.00 0.00 O ATOM 1662 CB GLU B 213 44.448 38.667 23.541 1.00 0.00 C ATOM 1663 CG GLU B 213 44.839 38.905 22.081 1.00 0.00 C ATOM 1664 CD GLU B 213 44.153 37.953 21.113 1.00 0.00 C ATOM 1665 OE1 GLU B 213 44.307 36.711 21.267 1.00 0.00 O ATOM 1666 OE2 GLU B 213 43.473 38.420 20.160 1.00 0.00 O ATOM 0 H GLU B 213 43.601 39.258 25.653 1.00 0.00 H new ATOM 0 HA GLU B 213 46.178 38.538 24.815 1.00 0.00 H new ATOM 0 HB2 GLU B 213 44.377 37.591 23.700 1.00 0.00 H new ATOM 0 HB3 GLU B 213 43.450 39.078 23.695 1.00 0.00 H new ATOM 0 HG2 GLU B 213 44.591 39.931 21.808 1.00 0.00 H new ATOM 0 HG3 GLU B 213 45.919 38.800 21.979 1.00 0.00 H new ATOM 1673 N ARG B 214 45.375 41.635 24.213 1.00 0.00 N ATOM 1674 CA ARG B 214 45.904 42.942 23.973 1.00 0.00 C ATOM 1675 C ARG B 214 46.836 43.436 25.025 1.00 0.00 C ATOM 1676 O ARG B 214 47.755 44.207 24.755 1.00 0.00 O ATOM 1677 CB ARG B 214 44.740 43.926 23.765 1.00 0.00 C ATOM 1678 CG ARG B 214 44.984 44.888 22.600 1.00 0.00 C ATOM 1679 CD ARG B 214 43.708 45.543 22.067 1.00 0.00 C ATOM 1680 NE ARG B 214 44.068 46.214 20.787 1.00 0.00 N ATOM 1681 CZ ARG B 214 43.201 46.447 19.758 1.00 0.00 C ATOM 1682 NH1 ARG B 214 41.893 46.056 19.784 1.00 0.00 N ATOM 1683 NH2 ARG B 214 43.664 47.054 18.627 1.00 0.00 N ATOM 0 H ARG B 214 44.373 41.648 24.405 1.00 0.00 H new ATOM 0 HA ARG B 214 46.514 42.872 23.073 1.00 0.00 H new ATOM 0 HB2 ARG B 214 43.823 43.365 23.583 1.00 0.00 H new ATOM 0 HB3 ARG B 214 44.586 44.500 24.679 1.00 0.00 H new ATOM 0 HG2 ARG B 214 45.675 45.667 22.922 1.00 0.00 H new ATOM 0 HG3 ARG B 214 45.470 44.346 21.789 1.00 0.00 H new ATOM 0 HD2 ARG B 214 42.929 44.797 21.906 1.00 0.00 H new ATOM 0 HD3 ARG B 214 43.316 46.264 22.784 1.00 0.00 H new ATOM 0 HE ARG B 214 45.033 46.522 20.670 1.00 0.00 H new ATOM 0 HH11 ARG B 214 41.523 45.566 20.599 1.00 0.00 H new ATOM 0 HH12 ARG B 214 41.286 46.254 18.989 1.00 0.00 H new ATOM 0 HH21 ARG B 214 44.645 47.326 18.559 1.00 0.00 H new ATOM 0 HH22 ARG B 214 43.029 47.235 17.849 1.00 0.00 H new ATOM 1697 N ARG B 215 46.667 43.001 26.286 1.00 0.00 N ATOM 1698 CA ARG B 215 47.508 43.328 27.397 1.00 0.00 C ATOM 1699 C ARG B 215 48.883 42.754 27.345 1.00 0.00 C ATOM 1700 O ARG B 215 49.845 43.361 27.811 1.00 0.00 O ATOM 1701 CB ARG B 215 46.813 42.934 28.710 1.00 0.00 C ATOM 1702 CG ARG B 215 47.135 43.931 29.826 1.00 0.00 C ATOM 1703 CD ARG B 215 46.574 43.546 31.196 1.00 0.00 C ATOM 1704 NE ARG B 215 46.858 44.702 32.092 1.00 0.00 N ATOM 1705 CZ ARG B 215 46.640 44.684 33.439 1.00 0.00 C ATOM 1706 NH1 ARG B 215 46.427 43.519 34.120 1.00 0.00 N ATOM 1707 NH2 ARG B 215 46.647 45.855 34.141 1.00 0.00 N ATOM 0 H ARG B 215 45.897 42.384 26.546 1.00 0.00 H new ATOM 0 HA ARG B 215 47.654 44.407 27.343 1.00 0.00 H new ATOM 0 HB2 ARG B 215 45.735 42.892 28.556 1.00 0.00 H new ATOM 0 HB3 ARG B 215 47.131 41.935 29.008 1.00 0.00 H new ATOM 0 HG2 ARG B 215 48.217 44.033 29.905 1.00 0.00 H new ATOM 0 HG3 ARG B 215 46.743 44.909 29.548 1.00 0.00 H new ATOM 0 HD2 ARG B 215 45.503 43.350 31.139 1.00 0.00 H new ATOM 0 HD3 ARG B 215 47.045 42.637 31.570 1.00 0.00 H new ATOM 0 HE ARG B 215 47.236 45.553 31.676 1.00 0.00 H new ATOM 0 HH11 ARG B 215 46.428 42.629 33.621 1.00 0.00 H new ATOM 0 HH12 ARG B 215 46.267 43.539 35.127 1.00 0.00 H new ATOM 0 HH21 ARG B 215 46.815 46.738 33.658 1.00 0.00 H new ATOM 0 HH22 ARG B 215 46.485 45.847 35.148 1.00 0.00 H new