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 Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -0.0189 K(o=-0.019,f=-1.3) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 69:sc= 1.16 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= 2.02 (180deg=1.45) USER MOD Single : A 18 LYS NZ :NH3+ -151:sc= -0.368 (180deg=-1.28) USER MOD Single : A 19 THR OG1 : rot 71:sc= 1.15 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot -166:sc= 0.217 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00631 USER MOD Single : A 36 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.463 K(o=0.46,f=-0.69) USER MOD Single : A 54 SER OG : rot 33:sc= 0.00105 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.532 K(o=-0.53,f=-1.1) USER MOD Single : A 69 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.11) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 201 ASN : amide:sc= 0.596 K(o=0.6,f=-3.8!) USER MOD Single : B 203 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 204 MET CE :methyl -173:sc= -0.138 (180deg=-0.241) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 34.650 44.502 39.842 1.00 0.00 N ATOM 53 CA VAL A 5 35.284 43.447 40.570 1.00 0.00 C ATOM 54 C VAL A 5 35.178 42.183 39.789 1.00 0.00 C ATOM 55 O VAL A 5 36.153 41.497 39.489 1.00 0.00 O ATOM 56 CB VAL A 5 34.592 43.260 41.888 1.00 0.00 C ATOM 57 CG1 VAL A 5 35.179 42.065 42.657 1.00 0.00 C ATOM 58 CG2 VAL A 5 34.755 44.557 42.698 1.00 0.00 C ATOM 0 HA VAL A 5 36.331 43.700 40.736 1.00 0.00 H new ATOM 0 HB VAL A 5 33.536 43.048 41.723 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.658 41.953 43.608 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.056 41.157 42.067 1.00 0.00 H new ATOM 0 HG13 VAL A 5 36.239 42.237 42.842 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.260 44.448 43.663 1.00 0.00 H new ATOM 0 HG22 VAL A 5 35.815 44.757 42.855 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.306 45.386 42.151 1.00 0.00 H new ATOM 68 N GLU A 6 33.939 41.845 39.388 1.00 0.00 N ATOM 69 CA GLU A 6 33.647 40.615 38.720 1.00 0.00 C ATOM 70 C GLU A 6 34.128 40.569 37.310 1.00 0.00 C ATOM 71 O GLU A 6 34.365 39.500 36.752 1.00 0.00 O ATOM 72 CB GLU A 6 32.144 40.301 38.803 1.00 0.00 C ATOM 73 CG GLU A 6 31.256 41.270 38.020 1.00 0.00 C ATOM 74 CD GLU A 6 29.787 41.122 38.388 1.00 0.00 C ATOM 75 OE1 GLU A 6 29.484 40.876 39.587 1.00 0.00 O ATOM 76 OE2 GLU A 6 28.925 41.318 37.491 1.00 0.00 O ATOM 0 H GLU A 6 33.123 42.439 39.531 1.00 0.00 H new ATOM 0 HA GLU A 6 34.205 39.841 39.246 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.975 39.290 38.432 1.00 0.00 H new ATOM 0 HB3 GLU A 6 31.839 40.312 39.850 1.00 0.00 H new ATOM 0 HG2 GLU A 6 31.577 42.293 38.214 1.00 0.00 H new ATOM 0 HG3 GLU A 6 31.382 41.094 36.952 1.00 0.00 H new ATOM 83 N PHE A 7 34.394 41.754 36.729 1.00 0.00 N ATOM 84 CA PHE A 7 35.150 41.844 35.520 1.00 0.00 C ATOM 85 C PHE A 7 36.529 41.307 35.690 1.00 0.00 C ATOM 86 O PHE A 7 36.985 40.487 34.894 1.00 0.00 O ATOM 87 CB PHE A 7 35.170 43.283 34.977 1.00 0.00 C ATOM 88 CG PHE A 7 35.718 43.338 33.592 1.00 0.00 C ATOM 89 CD1 PHE A 7 34.992 42.817 32.547 1.00 0.00 C ATOM 90 CD2 PHE A 7 36.968 43.856 33.349 1.00 0.00 C ATOM 91 CE1 PHE A 7 35.511 42.796 31.274 1.00 0.00 C ATOM 92 CE2 PHE A 7 37.492 43.848 32.078 1.00 0.00 C ATOM 93 CZ PHE A 7 36.766 43.308 31.043 1.00 0.00 C ATOM 0 H PHE A 7 34.083 42.652 37.099 1.00 0.00 H new ATOM 0 HA PHE A 7 34.650 41.220 34.779 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.159 43.690 34.985 1.00 0.00 H new ATOM 0 HB3 PHE A 7 35.772 43.912 35.633 1.00 0.00 H new ATOM 0 HD1 PHE A 7 34.004 42.420 32.728 1.00 0.00 H new ATOM 0 HD2 PHE A 7 37.543 44.272 34.163 1.00 0.00 H new ATOM 0 HE1 PHE A 7 34.936 42.380 30.460 1.00 0.00 H new ATOM 0 HE2 PHE A 7 38.471 44.265 31.893 1.00 0.00 H new ATOM 0 HZ PHE A 7 37.182 43.286 30.047 1.00 0.00 H new ATOM 103 N ASN A 8 37.225 41.665 36.784 1.00 0.00 N ATOM 104 CA ASN A 8 38.567 41.269 37.083 1.00 0.00 C ATOM 105 C ASN A 8 38.619 39.854 37.547 1.00 0.00 C ATOM 106 O ASN A 8 39.605 39.154 37.322 1.00 0.00 O ATOM 107 CB ASN A 8 39.210 42.207 38.119 1.00 0.00 C ATOM 108 CG ASN A 8 39.689 43.485 37.447 1.00 0.00 C ATOM 109 OD1 ASN A 8 40.837 43.574 37.015 1.00 0.00 O ATOM 110 ND2 ASN A 8 38.824 44.531 37.358 1.00 0.00 N ATOM 0 H ASN A 8 36.826 42.268 37.504 1.00 0.00 H new ATOM 0 HA ASN A 8 39.143 41.344 36.161 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.488 42.447 38.900 1.00 0.00 H new ATOM 0 HB3 ASN A 8 40.048 41.706 38.603 1.00 0.00 H new ATOM 0 HD21 ASN A 8 39.124 45.406 36.928 1.00 0.00 H new ATOM 0 HD22 ASN A 8 37.875 44.441 37.721 1.00 0.00 H new ATOM 117 N ASN A 9 37.535 39.332 38.148 1.00 0.00 N ATOM 118 CA ASN A 9 37.387 37.937 38.426 1.00 0.00 C ATOM 119 C ASN A 9 37.227 37.124 37.188 1.00 0.00 C ATOM 120 O ASN A 9 37.672 35.978 37.133 1.00 0.00 O ATOM 121 CB ASN A 9 36.215 37.645 39.377 1.00 0.00 C ATOM 122 CG ASN A 9 36.486 38.253 40.745 1.00 0.00 C ATOM 123 OD1 ASN A 9 37.626 38.482 41.148 1.00 0.00 O ATOM 124 ND2 ASN A 9 35.401 38.485 41.532 1.00 0.00 N ATOM 0 H ASN A 9 36.740 39.895 38.449 1.00 0.00 H new ATOM 0 HA ASN A 9 38.315 37.647 38.919 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.292 38.054 38.965 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.073 36.568 39.471 1.00 0.00 H new ATOM 0 HD21 ASN A 9 35.524 38.855 42.474 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.464 38.289 41.180 1.00 0.00 H new ATOM 131 N ALA A 10 36.644 37.694 36.119 1.00 0.00 N ATOM 132 CA ALA A 10 36.670 37.114 34.811 1.00 0.00 C ATOM 133 C ALA A 10 38.046 37.096 34.241 1.00 0.00 C ATOM 134 O ALA A 10 38.508 36.055 33.779 1.00 0.00 O ATOM 135 CB ALA A 10 35.645 37.768 33.869 1.00 0.00 C ATOM 0 H ALA A 10 36.142 38.581 36.164 1.00 0.00 H new ATOM 0 HA ALA A 10 36.366 36.072 34.914 1.00 0.00 H new ATOM 0 HB1 ALA A 10 35.700 37.297 32.888 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.642 37.640 34.277 1.00 0.00 H new ATOM 0 HB3 ALA A 10 35.865 38.831 33.773 1.00 0.00 H new ATOM 141 N ILE A 11 38.801 38.208 34.319 1.00 0.00 N ATOM 142 CA ILE A 11 40.158 38.320 33.882 1.00 0.00 C ATOM 143 C ILE A 11 41.070 37.319 34.506 1.00 0.00 C ATOM 144 O ILE A 11 41.812 36.611 33.827 1.00 0.00 O ATOM 145 CB ILE A 11 40.768 39.664 34.153 1.00 0.00 C ATOM 146 CG1 ILE A 11 39.919 40.844 33.652 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.142 39.807 33.478 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.361 40.689 32.238 1.00 0.00 C ATOM 0 H ILE A 11 38.442 39.079 34.710 1.00 0.00 H new ATOM 0 HA ILE A 11 40.076 38.147 32.809 1.00 0.00 H new ATOM 0 HB ILE A 11 40.843 39.704 35.240 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.086 40.990 34.340 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.525 41.749 33.689 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.554 40.793 33.696 1.00 0.00 H new ATOM 0 HG22 ILE A 11 42.816 39.040 33.859 1.00 0.00 H new ATOM 0 HG23 ILE A 11 42.032 39.690 32.400 1.00 0.00 H new ATOM 0 HD11 ILE A 11 38.778 41.572 31.978 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.184 40.577 31.532 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.723 39.807 32.193 1.00 0.00 H new ATOM 160 N SER A 12 41.011 37.202 35.844 1.00 0.00 N ATOM 161 CA SER A 12 41.757 36.277 36.638 1.00 0.00 C ATOM 162 C SER A 12 41.501 34.843 36.326 1.00 0.00 C ATOM 163 O SER A 12 42.309 33.972 36.643 1.00 0.00 O ATOM 164 CB SER A 12 41.565 36.481 38.151 1.00 0.00 C ATOM 165 OG SER A 12 42.234 37.663 38.568 1.00 0.00 O ATOM 0 H SER A 12 40.401 37.794 36.408 1.00 0.00 H new ATOM 0 HA SER A 12 42.787 36.507 36.363 1.00 0.00 H new ATOM 0 HB2 SER A 12 40.503 36.552 38.385 1.00 0.00 H new ATOM 0 HB3 SER A 12 41.955 35.621 38.695 1.00 0.00 H new ATOM 0 HG SER A 12 42.107 37.788 39.532 1.00 0.00 H new ATOM 171 N TYR A 13 40.376 34.508 35.669 1.00 0.00 N ATOM 172 CA TYR A 13 40.172 33.200 35.129 1.00 0.00 C ATOM 173 C TYR A 13 40.977 32.995 33.891 1.00 0.00 C ATOM 174 O TYR A 13 41.840 32.121 33.837 1.00 0.00 O ATOM 175 CB TYR A 13 38.682 32.918 34.875 1.00 0.00 C ATOM 176 CG TYR A 13 38.370 31.491 34.585 1.00 0.00 C ATOM 177 CD1 TYR A 13 39.137 30.433 35.012 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.251 31.228 33.829 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.827 29.144 34.649 1.00 0.00 C ATOM 180 CE2 TYR A 13 36.931 29.946 33.450 1.00 0.00 C ATOM 181 CZ TYR A 13 37.733 28.904 33.851 1.00 0.00 C ATOM 182 OH TYR A 13 37.476 27.577 33.450 1.00 0.00 O ATOM 0 H TYR A 13 39.600 35.151 35.511 1.00 0.00 H new ATOM 0 HA TYR A 13 40.517 32.484 35.874 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.111 33.233 35.748 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.346 33.529 34.037 1.00 0.00 H new ATOM 0 HD1 TYR A 13 39.995 30.617 35.641 1.00 0.00 H new ATOM 0 HD2 TYR A 13 36.612 32.045 33.527 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.440 28.323 34.989 1.00 0.00 H new ATOM 0 HE2 TYR A 13 36.058 29.759 32.843 1.00 0.00 H new ATOM 0 HH TYR A 13 37.200 27.048 34.227 1.00 0.00 H new ATOM 192 N VAL A 14 40.762 33.822 32.852 1.00 0.00 N ATOM 193 CA VAL A 14 41.416 33.755 31.582 1.00 0.00 C ATOM 194 C VAL A 14 42.896 33.908 31.660 1.00 0.00 C ATOM 195 O VAL A 14 43.650 33.235 30.960 1.00 0.00 O ATOM 196 CB VAL A 14 40.847 34.722 30.588 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.101 34.204 29.162 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.326 34.870 30.765 1.00 0.00 C ATOM 0 H VAL A 14 40.088 34.586 32.903 1.00 0.00 H new ATOM 0 HA VAL A 14 41.217 32.743 31.229 1.00 0.00 H new ATOM 0 HB VAL A 14 41.330 35.686 30.750 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.687 34.908 28.440 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.174 34.104 28.997 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.623 33.233 29.037 1.00 0.00 H new ATOM 0 HG21 VAL A 14 38.941 35.578 30.030 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.847 33.901 30.621 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.110 35.236 31.769 1.00 0.00 H new ATOM 208 N ASN A 15 43.407 34.761 32.565 1.00 0.00 N ATOM 209 CA ASN A 15 44.803 34.849 32.862 1.00 0.00 C ATOM 210 C ASN A 15 45.427 33.584 33.344 1.00 0.00 C ATOM 211 O ASN A 15 46.535 33.244 32.935 1.00 0.00 O ATOM 212 CB ASN A 15 45.095 35.970 33.875 1.00 0.00 C ATOM 213 CG ASN A 15 46.574 36.329 33.883 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.105 36.847 32.902 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.284 36.010 34.999 1.00 0.00 N ATOM 0 H ASN A 15 42.833 35.408 33.106 1.00 0.00 H new ATOM 0 HA ASN A 15 45.261 35.075 31.899 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.505 36.852 33.626 1.00 0.00 H new ATOM 0 HB3 ASN A 15 44.789 35.652 34.872 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.285 36.200 35.038 1.00 0.00 H new ATOM 0 HD22 ASN A 15 46.815 35.581 35.797 1.00 0.00 H new ATOM 222 N LYS A 16 44.770 32.802 34.220 1.00 0.00 N ATOM 223 CA LYS A 16 45.283 31.535 34.638 1.00 0.00 C ATOM 224 C LYS A 16 45.280 30.533 33.535 1.00 0.00 C ATOM 225 O LYS A 16 46.221 29.755 33.385 1.00 0.00 O ATOM 226 CB LYS A 16 44.500 30.939 35.820 1.00 0.00 C ATOM 227 CG LYS A 16 44.771 31.662 37.140 1.00 0.00 C ATOM 228 CD LYS A 16 44.226 30.873 38.334 1.00 0.00 C ATOM 229 CE LYS A 16 42.716 30.626 38.333 1.00 0.00 C ATOM 230 NZ LYS A 16 41.936 31.878 38.449 1.00 0.00 N ATOM 0 H LYS A 16 43.875 33.051 34.642 1.00 0.00 H new ATOM 0 HA LYS A 16 46.308 31.739 34.949 1.00 0.00 H new ATOM 0 HB2 LYS A 16 43.433 30.982 35.601 1.00 0.00 H new ATOM 0 HB3 LYS A 16 44.761 29.886 35.928 1.00 0.00 H new ATOM 0 HG2 LYS A 16 45.844 31.812 37.261 1.00 0.00 H new ATOM 0 HG3 LYS A 16 44.312 32.650 37.116 1.00 0.00 H new ATOM 0 HD2 LYS A 16 44.733 29.909 38.371 1.00 0.00 H new ATOM 0 HD3 LYS A 16 44.488 31.406 39.248 1.00 0.00 H new ATOM 0 HE2 LYS A 16 42.436 30.111 37.414 1.00 0.00 H new ATOM 0 HE3 LYS A 16 42.459 29.964 39.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 40.942 31.691 38.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 41.995 32.235 39.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 42.322 32.589 37.796 1.00 0.00 H new ATOM 244 N ILE A 17 44.243 30.545 32.679 1.00 0.00 N ATOM 245 CA ILE A 17 44.144 29.747 31.496 1.00 0.00 C ATOM 246 C ILE A 17 45.272 30.007 30.558 1.00 0.00 C ATOM 247 O ILE A 17 45.971 29.075 30.165 1.00 0.00 O ATOM 248 CB ILE A 17 42.807 29.992 30.860 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.686 29.389 31.722 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.752 29.465 29.416 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.289 29.898 31.368 1.00 0.00 C ATOM 0 H ILE A 17 43.430 31.144 32.820 1.00 0.00 H new ATOM 0 HA ILE A 17 44.220 28.693 31.762 1.00 0.00 H new ATOM 0 HB ILE A 17 42.656 31.070 30.805 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.704 28.304 31.617 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.888 29.611 32.770 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.767 29.663 28.994 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.511 29.967 28.816 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.939 28.391 29.413 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.554 29.426 32.020 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.251 30.979 31.501 1.00 0.00 H new ATOM 0 HD13 ILE A 17 40.064 29.652 30.330 1.00 0.00 H new ATOM 263 N LYS A 18 45.557 31.282 30.236 1.00 0.00 N ATOM 264 CA LYS A 18 46.698 31.693 29.479 1.00 0.00 C ATOM 265 C LYS A 18 47.992 31.192 30.024 1.00 0.00 C ATOM 266 O LYS A 18 48.790 30.555 29.338 1.00 0.00 O ATOM 267 CB LYS A 18 46.824 33.226 29.494 1.00 0.00 C ATOM 268 CG LYS A 18 45.854 33.941 28.551 1.00 0.00 C ATOM 269 CD LYS A 18 45.898 35.469 28.610 1.00 0.00 C ATOM 270 CE LYS A 18 46.955 36.145 27.734 1.00 0.00 C ATOM 271 NZ LYS A 18 48.316 35.722 28.133 1.00 0.00 N ATOM 0 H LYS A 18 44.963 32.062 30.517 1.00 0.00 H new ATOM 0 HA LYS A 18 46.531 31.282 28.483 1.00 0.00 H new ATOM 0 HB2 LYS A 18 46.657 33.584 30.510 1.00 0.00 H new ATOM 0 HB3 LYS A 18 47.844 33.499 29.224 1.00 0.00 H new ATOM 0 HG2 LYS A 18 46.067 33.626 27.529 1.00 0.00 H new ATOM 0 HG3 LYS A 18 44.840 33.613 28.781 1.00 0.00 H new ATOM 0 HD2 LYS A 18 44.919 35.852 28.323 1.00 0.00 H new ATOM 0 HD3 LYS A 18 46.067 35.768 29.644 1.00 0.00 H new ATOM 0 HE2 LYS A 18 46.783 35.892 26.688 1.00 0.00 H new ATOM 0 HE3 LYS A 18 46.866 37.228 27.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 48.992 36.483 27.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 48.332 35.519 29.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 48.582 34.866 27.606 1.00 0.00 H new ATOM 285 N THR A 19 48.245 31.504 31.307 1.00 0.00 N ATOM 286 CA THR A 19 49.528 31.333 31.917 1.00 0.00 C ATOM 287 C THR A 19 49.824 29.924 32.301 1.00 0.00 C ATOM 288 O THR A 19 50.982 29.554 32.487 1.00 0.00 O ATOM 289 CB THR A 19 49.761 32.283 33.053 1.00 0.00 C ATOM 290 OG1 THR A 19 49.168 33.549 32.801 1.00 0.00 O ATOM 291 CG2 THR A 19 51.264 32.595 33.152 1.00 0.00 C ATOM 0 H THR A 19 47.540 31.885 31.938 1.00 0.00 H new ATOM 0 HA THR A 19 50.246 31.588 31.137 1.00 0.00 H new ATOM 0 HB THR A 19 49.347 31.812 33.945 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.193 33.471 32.858 1.00 0.00 H new ATOM 0 HG21 THR A 19 51.439 33.286 33.977 1.00 0.00 H new ATOM 0 HG22 THR A 19 51.816 31.672 33.328 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.604 33.049 32.221 1.00 0.00 H new ATOM 299 N ARG A 20 48.824 29.033 32.424 1.00 0.00 N ATOM 300 CA ARG A 20 49.074 27.628 32.495 1.00 0.00 C ATOM 301 C ARG A 20 49.248 27.028 31.143 1.00 0.00 C ATOM 302 O ARG A 20 50.230 26.330 30.893 1.00 0.00 O ATOM 303 CB ARG A 20 47.963 26.884 33.255 1.00 0.00 C ATOM 304 CG ARG A 20 47.856 27.272 34.731 1.00 0.00 C ATOM 305 CD ARG A 20 49.046 26.853 35.597 1.00 0.00 C ATOM 306 NE ARG A 20 48.968 25.380 35.802 1.00 0.00 N ATOM 307 CZ ARG A 20 49.896 24.675 36.513 1.00 0.00 C ATOM 308 NH1 ARG A 20 51.003 25.266 37.050 1.00 0.00 N ATOM 309 NH2 ARG A 20 49.713 23.340 36.725 1.00 0.00 N ATOM 0 H ARG A 20 47.838 29.288 32.474 1.00 0.00 H new ATOM 0 HA ARG A 20 50.006 27.513 33.048 1.00 0.00 H new ATOM 0 HB2 ARG A 20 47.008 27.081 32.767 1.00 0.00 H new ATOM 0 HB3 ARG A 20 48.143 25.811 33.183 1.00 0.00 H new ATOM 0 HG2 ARG A 20 47.739 28.354 34.799 1.00 0.00 H new ATOM 0 HG3 ARG A 20 46.951 26.827 35.144 1.00 0.00 H new ATOM 0 HD2 ARG A 20 49.984 27.121 35.111 1.00 0.00 H new ATOM 0 HD3 ARG A 20 49.023 27.373 36.555 1.00 0.00 H new ATOM 0 HE ARG A 20 48.184 24.874 35.391 1.00 0.00 H new ATOM 0 HH11 ARG A 20 51.158 26.266 36.926 1.00 0.00 H new ATOM 0 HH12 ARG A 20 51.675 24.707 37.576 1.00 0.00 H new ATOM 0 HH21 ARG A 20 48.886 22.873 36.353 1.00 0.00 H new ATOM 0 HH22 ARG A 20 50.403 22.809 37.256 1.00 0.00 H new ATOM 323 N PHE A 21 48.331 27.313 30.201 1.00 0.00 N ATOM 324 CA PHE A 21 48.380 26.805 28.865 1.00 0.00 C ATOM 325 C PHE A 21 49.311 27.567 27.987 1.00 0.00 C ATOM 326 O PHE A 21 48.990 27.975 26.872 1.00 0.00 O ATOM 327 CB PHE A 21 46.983 26.753 28.224 1.00 0.00 C ATOM 328 CG PHE A 21 45.972 25.918 28.933 1.00 0.00 C ATOM 329 CD1 PHE A 21 46.284 24.777 29.634 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.650 26.273 28.805 1.00 0.00 C ATOM 331 CE1 PHE A 21 45.297 24.010 30.207 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.655 25.524 29.385 1.00 0.00 C ATOM 333 CZ PHE A 21 43.979 24.383 30.082 1.00 0.00 C ATOM 0 H PHE A 21 47.528 27.918 30.375 1.00 0.00 H new ATOM 0 HA PHE A 21 48.767 25.790 28.953 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.599 27.771 28.152 1.00 0.00 H new ATOM 0 HB3 PHE A 21 47.085 26.378 27.206 1.00 0.00 H new ATOM 0 HD1 PHE A 21 47.317 24.479 29.736 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.389 27.155 28.239 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.556 23.116 30.754 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.623 25.830 29.294 1.00 0.00 H new ATOM 0 HZ PHE A 21 43.201 23.782 30.530 1.00 0.00 H new ATOM 343 N LEU A 22 50.570 27.739 28.429 1.00 0.00 N ATOM 344 CA LEU A 22 51.664 28.216 27.641 1.00 0.00 C ATOM 345 C LEU A 22 52.248 27.099 26.846 1.00 0.00 C ATOM 346 O LEU A 22 52.627 27.251 25.685 1.00 0.00 O ATOM 347 CB LEU A 22 52.755 28.879 28.500 1.00 0.00 C ATOM 348 CG LEU A 22 52.210 30.140 29.190 1.00 0.00 C ATOM 349 CD1 LEU A 22 53.251 30.635 30.209 1.00 0.00 C ATOM 350 CD2 LEU A 22 51.846 31.259 28.201 1.00 0.00 C ATOM 0 H LEU A 22 50.839 27.533 29.391 1.00 0.00 H new ATOM 0 HA LEU A 22 51.271 28.978 26.968 1.00 0.00 H new ATOM 0 HB2 LEU A 22 53.113 28.174 29.250 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.609 29.140 27.875 1.00 0.00 H new ATOM 0 HG LEU A 22 51.281 29.872 29.693 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.877 31.530 30.706 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.433 29.857 30.951 1.00 0.00 H new ATOM 0 HD13 LEU A 22 54.182 30.869 29.693 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.468 32.121 28.750 1.00 0.00 H new ATOM 0 HD22 LEU A 22 52.733 31.549 27.637 1.00 0.00 H new ATOM 0 HD23 LEU A 22 51.079 30.902 27.513 1.00 0.00 H new ATOM 362 N ASP A 23 52.268 25.892 27.439 1.00 0.00 N ATOM 363 CA ASP A 23 52.635 24.686 26.765 1.00 0.00 C ATOM 364 C ASP A 23 51.624 24.275 25.750 1.00 0.00 C ATOM 365 O ASP A 23 51.888 23.458 24.870 1.00 0.00 O ATOM 366 CB ASP A 23 52.840 23.534 27.764 1.00 0.00 C ATOM 367 CG ASP A 23 53.927 23.828 28.789 1.00 0.00 C ATOM 368 OD1 ASP A 23 53.731 24.731 29.646 1.00 0.00 O ATOM 369 OD2 ASP A 23 54.962 23.110 28.797 1.00 0.00 O ATOM 0 H ASP A 23 52.021 25.751 28.419 1.00 0.00 H new ATOM 0 HA ASP A 23 53.573 24.897 26.251 1.00 0.00 H new ATOM 0 HB2 ASP A 23 51.902 23.338 28.283 1.00 0.00 H new ATOM 0 HB3 ASP A 23 53.098 22.627 27.218 1.00 0.00 H new ATOM 374 N HIS A 24 50.407 24.844 25.809 1.00 0.00 N ATOM 375 CA HIS A 24 49.331 24.564 24.909 1.00 0.00 C ATOM 376 C HIS A 24 48.748 25.844 24.418 1.00 0.00 C ATOM 377 O HIS A 24 47.712 26.242 24.951 1.00 0.00 O ATOM 378 CB HIS A 24 48.272 23.726 25.646 1.00 0.00 C ATOM 379 CG HIS A 24 48.730 22.331 25.954 1.00 0.00 C ATOM 380 ND1 HIS A 24 49.281 21.957 27.151 1.00 0.00 N ATOM 381 CD2 HIS A 24 48.654 21.206 25.193 1.00 0.00 C ATOM 382 CE1 HIS A 24 49.526 20.660 27.127 1.00 0.00 C ATOM 383 NE2 HIS A 24 49.151 20.182 25.955 1.00 0.00 N ATOM 0 H HIS A 24 50.161 25.533 26.519 1.00 0.00 H new ATOM 0 HA HIS A 24 49.693 24.000 24.049 1.00 0.00 H new ATOM 0 HB2 HIS A 24 48.005 24.227 26.576 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.368 23.679 25.038 1.00 0.00 H new ATOM 0 HD2 HIS A 24 48.275 21.134 24.184 1.00 0.00 H new ATOM 0 HE1 HIS A 24 49.961 20.086 27.932 1.00 0.00 H new ATOM 0 HE2 HIS A 24 49.220 19.207 25.664 1.00 0.00 H new ATOM 392 N PRO A 25 49.249 26.572 23.464 1.00 0.00 N ATOM 393 CA PRO A 25 48.673 27.818 23.052 1.00 0.00 C ATOM 394 C PRO A 25 47.493 27.669 22.153 1.00 0.00 C ATOM 395 O PRO A 25 46.924 28.679 21.742 1.00 0.00 O ATOM 396 CB PRO A 25 49.817 28.528 22.331 1.00 0.00 C ATOM 397 CG PRO A 25 50.669 27.385 21.758 1.00 0.00 C ATOM 398 CD PRO A 25 50.555 26.329 22.870 1.00 0.00 C ATOM 0 HA PRO A 25 48.282 28.367 23.909 1.00 0.00 H new ATOM 0 HB2 PRO A 25 49.445 29.182 21.542 1.00 0.00 H new ATOM 0 HB3 PRO A 25 50.394 29.150 23.015 1.00 0.00 H new ATOM 0 HG2 PRO A 25 50.281 27.022 20.806 1.00 0.00 H new ATOM 0 HG3 PRO A 25 51.701 27.690 21.586 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.627 25.318 22.468 1.00 0.00 H new ATOM 0 HD3 PRO A 25 51.353 26.437 23.605 1.00 0.00 H new ATOM 406 N GLU A 26 47.058 26.445 21.806 1.00 0.00 N ATOM 407 CA GLU A 26 45.983 26.227 20.889 1.00 0.00 C ATOM 408 C GLU A 26 44.651 26.445 21.522 1.00 0.00 C ATOM 409 O GLU A 26 43.714 26.921 20.883 1.00 0.00 O ATOM 410 CB GLU A 26 46.068 24.832 20.247 1.00 0.00 C ATOM 411 CG GLU A 26 45.730 23.657 21.168 1.00 0.00 C ATOM 412 CD GLU A 26 46.074 22.287 20.604 1.00 0.00 C ATOM 413 OE1 GLU A 26 46.942 22.176 19.698 1.00 0.00 O ATOM 414 OE2 GLU A 26 45.506 21.284 21.115 1.00 0.00 O ATOM 0 H GLU A 26 47.464 25.584 22.173 1.00 0.00 H new ATOM 0 HA GLU A 26 46.088 26.969 20.098 1.00 0.00 H new ATOM 0 HB2 GLU A 26 45.394 24.804 19.391 1.00 0.00 H new ATOM 0 HB3 GLU A 26 47.078 24.690 19.863 1.00 0.00 H new ATOM 0 HG2 GLU A 26 46.259 23.789 22.112 1.00 0.00 H new ATOM 0 HG3 GLU A 26 44.664 23.685 21.393 1.00 0.00 H new ATOM 421 N ILE A 27 44.545 26.162 22.833 1.00 0.00 N ATOM 422 CA ILE A 27 43.365 26.174 23.640 1.00 0.00 C ATOM 423 C ILE A 27 42.746 27.529 23.655 1.00 0.00 C ATOM 424 O ILE A 27 41.527 27.683 23.589 1.00 0.00 O ATOM 425 CB ILE A 27 43.640 25.756 25.054 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.820 24.784 25.218 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.381 25.097 25.642 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.702 23.459 24.465 1.00 0.00 C ATOM 0 H ILE A 27 45.367 25.900 23.378 1.00 0.00 H new ATOM 0 HA ILE A 27 42.680 25.455 23.191 1.00 0.00 H new ATOM 0 HB ILE A 27 43.914 26.669 25.583 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.729 25.287 24.889 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.942 24.567 26.279 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.577 24.792 26.670 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.556 25.809 25.626 1.00 0.00 H new ATOM 0 HG23 ILE A 27 42.117 24.222 25.048 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.589 22.854 24.653 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.817 22.923 24.808 1.00 0.00 H new ATOM 0 HD13 ILE A 27 44.616 23.654 23.396 1.00 0.00 H new ATOM 440 N TYR A 28 43.608 28.561 23.680 1.00 0.00 N ATOM 441 CA TYR A 28 43.279 29.948 23.568 1.00 0.00 C ATOM 442 C TYR A 28 42.403 30.298 22.416 1.00 0.00 C ATOM 443 O TYR A 28 41.513 31.140 22.529 1.00 0.00 O ATOM 444 CB TYR A 28 44.558 30.800 23.500 1.00 0.00 C ATOM 445 CG TYR A 28 44.301 32.140 24.098 1.00 0.00 C ATOM 446 CD1 TYR A 28 44.259 32.243 25.469 1.00 0.00 C ATOM 447 CD2 TYR A 28 43.943 33.221 23.328 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.780 33.390 26.057 1.00 0.00 C ATOM 449 CE2 TYR A 28 43.516 34.386 23.918 1.00 0.00 C ATOM 450 CZ TYR A 28 43.431 34.475 25.289 1.00 0.00 C ATOM 451 OH TYR A 28 42.956 35.638 25.931 1.00 0.00 O ATOM 0 H TYR A 28 44.612 28.413 23.787 1.00 0.00 H new ATOM 0 HA TYR A 28 42.704 30.168 24.467 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.367 30.302 24.034 1.00 0.00 H new ATOM 0 HB3 TYR A 28 44.879 30.909 22.464 1.00 0.00 H new ATOM 0 HD1 TYR A 28 44.602 31.424 26.083 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.998 33.154 22.251 1.00 0.00 H new ATOM 0 HE1 TYR A 28 43.677 33.439 27.131 1.00 0.00 H new ATOM 0 HE2 TYR A 28 43.247 35.233 23.305 1.00 0.00 H new ATOM 0 HH TYR A 28 42.545 36.232 25.269 1.00 0.00 H new ATOM 461 N ARG A 29 42.575 29.620 21.267 1.00 0.00 N ATOM 462 CA ARG A 29 41.808 29.839 20.080 1.00 0.00 C ATOM 463 C ARG A 29 40.511 29.109 20.159 1.00 0.00 C ATOM 464 O ARG A 29 39.443 29.670 19.924 1.00 0.00 O ATOM 465 CB ARG A 29 42.539 29.361 18.814 1.00 0.00 C ATOM 466 CG ARG A 29 43.753 30.190 18.390 1.00 0.00 C ATOM 467 CD ARG A 29 45.004 30.033 19.258 1.00 0.00 C ATOM 468 NE ARG A 29 46.053 30.865 18.607 1.00 0.00 N ATOM 469 CZ ARG A 29 47.097 31.441 19.273 1.00 0.00 C ATOM 470 NH1 ARG A 29 47.463 31.091 20.541 1.00 0.00 N ATOM 471 NH2 ARG A 29 47.774 32.447 18.647 1.00 0.00 N ATOM 0 H ARG A 29 43.278 28.889 21.161 1.00 0.00 H new ATOM 0 HA ARG A 29 41.648 30.915 20.012 1.00 0.00 H new ATOM 0 HB2 ARG A 29 42.863 28.332 18.972 1.00 0.00 H new ATOM 0 HB3 ARG A 29 41.826 29.348 17.989 1.00 0.00 H new ATOM 0 HG2 ARG A 29 44.010 29.925 17.364 1.00 0.00 H new ATOM 0 HG3 ARG A 29 43.467 31.242 18.385 1.00 0.00 H new ATOM 0 HD2 ARG A 29 44.817 30.367 20.279 1.00 0.00 H new ATOM 0 HD3 ARG A 29 45.312 28.989 19.316 1.00 0.00 H new ATOM 0 HE ARG A 29 45.988 31.014 17.600 1.00 0.00 H new ATOM 0 HH11 ARG A 29 46.947 30.365 21.039 1.00 0.00 H new ATOM 0 HH12 ARG A 29 48.252 31.555 20.990 1.00 0.00 H new ATOM 0 HH21 ARG A 29 47.495 32.745 17.712 1.00 0.00 H new ATOM 0 HH22 ARG A 29 48.559 32.901 19.114 1.00 0.00 H new ATOM 485 N SER A 30 40.565 27.794 20.436 1.00 0.00 N ATOM 486 CA SER A 30 39.460 26.899 20.281 1.00 0.00 C ATOM 487 C SER A 30 38.466 26.937 21.390 1.00 0.00 C ATOM 488 O SER A 30 37.279 26.749 21.124 1.00 0.00 O ATOM 489 CB SER A 30 39.922 25.469 19.958 1.00 0.00 C ATOM 490 OG SER A 30 41.044 25.089 20.742 1.00 0.00 O ATOM 0 H SER A 30 41.409 27.337 20.781 1.00 0.00 H new ATOM 0 HA SER A 30 38.914 27.275 19.416 1.00 0.00 H new ATOM 0 HB2 SER A 30 39.102 24.773 20.135 1.00 0.00 H new ATOM 0 HB3 SER A 30 40.177 25.399 18.900 1.00 0.00 H new ATOM 0 HG SER A 30 41.309 24.174 20.511 1.00 0.00 H new ATOM 496 N PHE A 31 38.849 27.210 22.649 1.00 0.00 N ATOM 497 CA PHE A 31 37.896 27.297 23.713 1.00 0.00 C ATOM 498 C PHE A 31 36.923 28.417 23.573 1.00 0.00 C ATOM 499 O PHE A 31 35.719 28.251 23.767 1.00 0.00 O ATOM 500 CB PHE A 31 38.548 27.139 25.096 1.00 0.00 C ATOM 501 CG PHE A 31 38.512 28.283 26.050 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.379 28.523 26.791 1.00 0.00 C ATOM 503 CD2 PHE A 31 39.623 29.062 26.267 1.00 0.00 C ATOM 504 CE1 PHE A 31 37.354 29.514 27.744 1.00 0.00 C ATOM 505 CE2 PHE A 31 39.606 30.055 27.219 1.00 0.00 C ATOM 506 CZ PHE A 31 38.472 30.284 27.963 1.00 0.00 C ATOM 0 H PHE A 31 39.816 27.370 22.931 1.00 0.00 H new ATOM 0 HA PHE A 31 37.248 26.425 23.621 1.00 0.00 H new ATOM 0 HB2 PHE A 31 38.076 26.288 25.586 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.594 26.876 24.938 1.00 0.00 H new ATOM 0 HD1 PHE A 31 36.496 27.925 26.622 1.00 0.00 H new ATOM 0 HD2 PHE A 31 40.517 28.893 25.685 1.00 0.00 H new ATOM 0 HE1 PHE A 31 36.457 29.687 28.320 1.00 0.00 H new ATOM 0 HE2 PHE A 31 40.487 30.658 27.383 1.00 0.00 H new ATOM 0 HZ PHE A 31 38.460 31.062 28.712 1.00 0.00 H new ATOM 516 N LEU A 32 37.388 29.612 23.170 1.00 0.00 N ATOM 517 CA LEU A 32 36.541 30.750 22.985 1.00 0.00 C ATOM 518 C LEU A 32 35.694 30.657 21.764 1.00 0.00 C ATOM 519 O LEU A 32 34.585 31.188 21.727 1.00 0.00 O ATOM 520 CB LEU A 32 37.273 32.080 22.739 1.00 0.00 C ATOM 521 CG LEU A 32 38.547 32.263 23.581 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.423 33.283 22.834 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.183 32.635 25.028 1.00 0.00 C ATOM 0 H LEU A 32 38.371 29.792 22.968 1.00 0.00 H new ATOM 0 HA LEU A 32 35.989 30.742 23.925 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.536 32.147 21.683 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.590 32.903 22.951 1.00 0.00 H new ATOM 0 HG LEU A 32 39.125 31.345 23.689 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.344 33.449 23.392 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.664 32.899 21.843 1.00 0.00 H new ATOM 0 HD13 LEU A 32 38.883 34.225 22.737 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.095 32.761 25.612 1.00 0.00 H new ATOM 0 HD22 LEU A 32 37.617 33.567 25.033 1.00 0.00 H new ATOM 0 HD23 LEU A 32 37.578 31.841 25.467 1.00 0.00 H new ATOM 535 N GLU A 33 36.210 30.028 20.693 1.00 0.00 N ATOM 536 CA GLU A 33 35.440 29.653 19.547 1.00 0.00 C ATOM 537 C GLU A 33 34.123 29.027 19.850 1.00 0.00 C ATOM 538 O GLU A 33 33.088 29.415 19.309 1.00 0.00 O ATOM 539 CB GLU A 33 36.238 28.772 18.571 1.00 0.00 C ATOM 540 CG GLU A 33 35.742 29.006 17.143 1.00 0.00 C ATOM 541 CD GLU A 33 36.387 28.141 16.070 1.00 0.00 C ATOM 542 OE1 GLU A 33 36.257 26.888 16.123 1.00 0.00 O ATOM 543 OE2 GLU A 33 36.983 28.711 15.118 1.00 0.00 O ATOM 0 H GLU A 33 37.195 29.772 20.622 1.00 0.00 H new ATOM 0 HA GLU A 33 35.215 30.605 19.065 1.00 0.00 H new ATOM 0 HB2 GLU A 33 37.300 29.006 18.640 1.00 0.00 H new ATOM 0 HB3 GLU A 33 36.125 27.721 18.838 1.00 0.00 H new ATOM 0 HG2 GLU A 33 34.665 28.838 17.120 1.00 0.00 H new ATOM 0 HG3 GLU A 33 35.907 30.053 16.888 1.00 0.00 H new ATOM 550 N ILE A 34 34.095 28.093 20.818 1.00 0.00 N ATOM 551 CA ILE A 34 32.927 27.493 21.385 1.00 0.00 C ATOM 552 C ILE A 34 32.087 28.481 22.119 1.00 0.00 C ATOM 553 O ILE A 34 30.882 28.573 21.887 1.00 0.00 O ATOM 554 CB ILE A 34 33.311 26.342 22.268 1.00 0.00 C ATOM 555 CG1 ILE A 34 34.285 25.355 21.604 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.053 25.549 22.659 1.00 0.00 C ATOM 557 CD1 ILE A 34 34.977 24.455 22.626 1.00 0.00 C ATOM 0 H ILE A 34 34.953 27.731 21.234 1.00 0.00 H new ATOM 0 HA ILE A 34 32.317 27.115 20.565 1.00 0.00 H new ATOM 0 HB ILE A 34 33.808 26.783 23.132 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.743 24.738 20.887 1.00 0.00 H new ATOM 0 HG13 ILE A 34 35.037 25.910 21.043 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.334 24.714 23.300 1.00 0.00 H new ATOM 0 HG22 ILE A 34 31.363 26.201 23.195 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.568 25.169 21.760 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.655 23.775 22.111 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.542 25.069 23.328 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.228 23.879 23.169 1.00 0.00 H new ATOM 569 N LEU A 35 32.639 29.322 23.011 1.00 0.00 N ATOM 570 CA LEU A 35 31.919 30.357 23.686 1.00 0.00 C ATOM 571 C LEU A 35 31.340 31.413 22.809 1.00 0.00 C ATOM 572 O LEU A 35 30.296 31.995 23.099 1.00 0.00 O ATOM 573 CB LEU A 35 32.834 31.047 24.711 1.00 0.00 C ATOM 574 CG LEU A 35 33.575 30.149 25.718 1.00 0.00 C ATOM 575 CD1 LEU A 35 33.888 30.989 26.967 1.00 0.00 C ATOM 576 CD2 LEU A 35 32.794 28.961 26.301 1.00 0.00 C ATOM 0 H LEU A 35 33.624 29.280 23.272 1.00 0.00 H new ATOM 0 HA LEU A 35 31.078 29.843 24.153 1.00 0.00 H new ATOM 0 HB2 LEU A 35 33.579 31.624 24.163 1.00 0.00 H new ATOM 0 HB3 LEU A 35 32.231 31.759 25.275 1.00 0.00 H new ATOM 0 HG LEU A 35 34.418 29.767 25.142 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.414 30.374 27.697 1.00 0.00 H new ATOM 0 HD12 LEU A 35 34.514 31.836 26.688 1.00 0.00 H new ATOM 0 HD13 LEU A 35 32.958 31.353 27.403 1.00 0.00 H new ATOM 0 HD21 LEU A 35 33.431 28.412 26.995 1.00 0.00 H new ATOM 0 HD22 LEU A 35 31.914 29.328 26.829 1.00 0.00 H new ATOM 0 HD23 LEU A 35 32.482 28.299 25.493 1.00 0.00 H new ATOM 588 N HIS A 36 31.964 31.724 21.659 1.00 0.00 N ATOM 589 CA HIS A 36 31.456 32.616 20.662 1.00 0.00 C ATOM 590 C HIS A 36 30.285 32.047 19.939 1.00 0.00 C ATOM 591 O HIS A 36 29.403 32.792 19.514 1.00 0.00 O ATOM 592 CB HIS A 36 32.507 33.012 19.612 1.00 0.00 C ATOM 593 CG HIS A 36 33.597 33.919 20.103 1.00 0.00 C ATOM 594 ND1 HIS A 36 33.370 35.219 20.470 1.00 0.00 N ATOM 595 CD2 HIS A 36 34.941 33.725 20.165 1.00 0.00 C ATOM 596 CE1 HIS A 36 34.525 35.801 20.733 1.00 0.00 C ATOM 597 NE2 HIS A 36 35.490 34.916 20.560 1.00 0.00 N ATOM 0 H HIS A 36 32.872 31.332 21.411 1.00 0.00 H new ATOM 0 HA HIS A 36 31.157 33.503 21.221 1.00 0.00 H new ATOM 0 HB2 HIS A 36 32.963 32.104 19.219 1.00 0.00 H new ATOM 0 HB3 HIS A 36 31.999 33.500 18.780 1.00 0.00 H new ATOM 0 HD2 HIS A 36 35.472 32.811 19.946 1.00 0.00 H new ATOM 0 HE1 HIS A 36 34.659 36.828 21.038 1.00 0.00 H new ATOM 0 HE2 HIS A 36 36.485 35.091 20.698 1.00 0.00 H new ATOM 606 N THR A 37 30.189 30.709 19.836 1.00 0.00 N ATOM 607 CA THR A 37 29.063 29.997 19.316 1.00 0.00 C ATOM 608 C THR A 37 27.818 30.277 20.085 1.00 0.00 C ATOM 609 O THR A 37 26.729 30.379 19.523 1.00 0.00 O ATOM 610 CB THR A 37 29.330 28.538 19.098 1.00 0.00 C ATOM 611 OG1 THR A 37 29.184 28.191 17.728 1.00 0.00 O ATOM 612 CG2 THR A 37 28.429 27.572 19.886 1.00 0.00 C ATOM 0 H THR A 37 30.942 30.089 20.133 1.00 0.00 H new ATOM 0 HA THR A 37 28.886 30.389 18.314 1.00 0.00 H new ATOM 0 HB THR A 37 30.351 28.419 19.459 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.365 27.235 17.612 1.00 0.00 H new ATOM 0 HG21 THR A 37 28.707 26.544 19.654 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.552 27.749 20.954 1.00 0.00 H new ATOM 0 HG23 THR A 37 27.388 27.737 19.608 1.00 0.00 H new ATOM 620 N TYR A 38 27.966 30.497 21.404 1.00 0.00 N ATOM 621 CA TYR A 38 26.952 30.956 22.301 1.00 0.00 C ATOM 622 C TYR A 38 26.665 32.408 22.138 1.00 0.00 C ATOM 623 O TYR A 38 25.547 32.834 21.852 1.00 0.00 O ATOM 624 CB TYR A 38 27.488 30.731 23.725 1.00 0.00 C ATOM 625 CG TYR A 38 26.554 30.826 24.881 1.00 0.00 C ATOM 626 CD1 TYR A 38 25.237 31.218 24.831 1.00 0.00 C ATOM 627 CD2 TYR A 38 27.137 30.581 26.101 1.00 0.00 C ATOM 628 CE1 TYR A 38 24.523 31.385 25.994 1.00 0.00 C ATOM 629 CE2 TYR A 38 26.435 30.768 27.268 1.00 0.00 C ATOM 630 CZ TYR A 38 25.119 31.164 27.213 1.00 0.00 C ATOM 631 OH TYR A 38 24.394 31.366 28.407 1.00 0.00 O ATOM 0 H TYR A 38 28.857 30.343 21.875 1.00 0.00 H new ATOM 0 HA TYR A 38 26.028 30.414 22.099 1.00 0.00 H new ATOM 0 HB2 TYR A 38 27.941 29.740 23.751 1.00 0.00 H new ATOM 0 HB3 TYR A 38 28.288 31.452 23.891 1.00 0.00 H new ATOM 0 HD1 TYR A 38 24.763 31.395 23.877 1.00 0.00 H new ATOM 0 HD2 TYR A 38 28.160 30.237 26.144 1.00 0.00 H new ATOM 0 HE1 TYR A 38 23.488 31.691 25.950 1.00 0.00 H new ATOM 0 HE2 TYR A 38 26.914 30.605 28.222 1.00 0.00 H new ATOM 0 HH TYR A 38 24.967 31.163 29.176 1.00 0.00 H new ATOM 641 N GLN A 39 27.698 33.235 22.381 1.00 0.00 N ATOM 642 CA GLN A 39 27.545 34.619 22.708 1.00 0.00 C ATOM 643 C GLN A 39 27.132 35.481 21.566 1.00 0.00 C ATOM 644 O GLN A 39 26.543 36.542 21.770 1.00 0.00 O ATOM 645 CB GLN A 39 28.858 35.087 23.359 1.00 0.00 C ATOM 646 CG GLN A 39 28.732 36.143 24.458 1.00 0.00 C ATOM 647 CD GLN A 39 28.941 37.596 24.057 1.00 0.00 C ATOM 648 OE1 GLN A 39 29.997 38.175 24.307 1.00 0.00 O ATOM 649 NE2 GLN A 39 27.908 38.243 23.454 1.00 0.00 N ATOM 0 H GLN A 39 28.671 32.931 22.349 1.00 0.00 H new ATOM 0 HA GLN A 39 26.713 34.722 23.405 1.00 0.00 H new ATOM 0 HB2 GLN A 39 29.361 34.216 23.778 1.00 0.00 H new ATOM 0 HB3 GLN A 39 29.505 35.483 22.577 1.00 0.00 H new ATOM 0 HG2 GLN A 39 27.739 36.054 24.899 1.00 0.00 H new ATOM 0 HG3 GLN A 39 29.451 35.902 25.241 1.00 0.00 H new ATOM 0 HE21 GLN A 39 27.040 37.745 23.255 1.00 0.00 H new ATOM 0 HE22 GLN A 39 28.001 39.227 23.200 1.00 0.00 H new ATOM 898 N SER A 54 22.711 26.302 25.362 1.00 0.00 N ATOM 899 CA SER A 54 22.688 26.107 26.778 1.00 0.00 C ATOM 900 C SER A 54 24.073 26.009 27.318 1.00 0.00 C ATOM 901 O SER A 54 24.979 25.452 26.699 1.00 0.00 O ATOM 902 CB SER A 54 21.967 24.814 27.193 1.00 0.00 C ATOM 903 OG SER A 54 20.588 24.835 26.854 1.00 0.00 O ATOM 0 HA SER A 54 22.155 26.969 27.179 1.00 0.00 H new ATOM 0 HB2 SER A 54 22.445 23.962 26.709 1.00 0.00 H new ATOM 0 HB3 SER A 54 22.073 24.670 28.268 1.00 0.00 H new ATOM 0 HG SER A 54 20.462 25.349 26.029 1.00 0.00 H new ATOM 909 N GLU A 55 24.278 26.516 28.546 1.00 0.00 N ATOM 910 CA GLU A 55 25.492 26.512 29.303 1.00 0.00 C ATOM 911 C GLU A 55 26.189 25.197 29.362 1.00 0.00 C ATOM 912 O GLU A 55 27.384 25.090 29.090 1.00 0.00 O ATOM 913 CB GLU A 55 25.252 27.042 30.726 1.00 0.00 C ATOM 914 CG GLU A 55 23.805 27.204 31.198 1.00 0.00 C ATOM 915 CD GLU A 55 22.970 25.931 31.190 1.00 0.00 C ATOM 916 OE1 GLU A 55 23.474 24.848 31.591 1.00 0.00 O ATOM 917 OE2 GLU A 55 21.780 26.012 30.781 1.00 0.00 O ATOM 0 H GLU A 55 23.521 26.972 29.056 1.00 0.00 H new ATOM 0 HA GLU A 55 26.161 27.179 28.759 1.00 0.00 H new ATOM 0 HB2 GLU A 55 25.757 26.372 31.422 1.00 0.00 H new ATOM 0 HB3 GLU A 55 25.741 28.013 30.807 1.00 0.00 H new ATOM 0 HG2 GLU A 55 23.814 27.606 32.211 1.00 0.00 H new ATOM 0 HG3 GLU A 55 23.315 27.944 30.565 1.00 0.00 H new ATOM 924 N GLU A 56 25.445 24.118 29.665 1.00 0.00 N ATOM 925 CA GLU A 56 25.880 22.756 29.620 1.00 0.00 C ATOM 926 C GLU A 56 26.591 22.294 28.394 1.00 0.00 C ATOM 927 O GLU A 56 27.406 21.378 28.491 1.00 0.00 O ATOM 928 CB GLU A 56 24.685 21.830 29.899 1.00 0.00 C ATOM 929 CG GLU A 56 23.555 21.957 28.876 1.00 0.00 C ATOM 930 CD GLU A 56 22.351 21.085 29.204 1.00 0.00 C ATOM 931 OE1 GLU A 56 22.518 19.839 29.304 1.00 0.00 O ATOM 932 OE2 GLU A 56 21.225 21.639 29.314 1.00 0.00 O ATOM 0 H GLU A 56 24.473 24.204 29.962 1.00 0.00 H new ATOM 0 HA GLU A 56 26.647 22.705 30.393 1.00 0.00 H new ATOM 0 HB2 GLU A 56 25.033 20.797 29.916 1.00 0.00 H new ATOM 0 HB3 GLU A 56 24.291 22.049 30.891 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.238 22.998 28.822 1.00 0.00 H new ATOM 0 HG3 GLU A 56 23.934 21.687 27.890 1.00 0.00 H new ATOM 939 N GLU A 57 26.369 22.849 27.189 1.00 0.00 N ATOM 940 CA GLU A 57 27.024 22.361 26.015 1.00 0.00 C ATOM 941 C GLU A 57 28.370 22.992 25.925 1.00 0.00 C ATOM 942 O GLU A 57 29.380 22.375 25.591 1.00 0.00 O ATOM 943 CB GLU A 57 26.204 22.514 24.724 1.00 0.00 C ATOM 944 CG GLU A 57 26.761 23.468 23.665 1.00 0.00 C ATOM 945 CD GLU A 57 26.179 23.213 22.282 1.00 0.00 C ATOM 946 OE1 GLU A 57 24.967 23.466 22.045 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.952 22.754 21.400 1.00 0.00 O ATOM 0 H GLU A 57 25.738 23.634 27.028 1.00 0.00 H new ATOM 0 HA GLU A 57 27.134 21.281 26.114 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.096 21.529 24.271 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.204 22.852 24.994 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.549 24.496 23.960 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.845 23.365 23.623 1.00 0.00 H new ATOM 954 N VAL A 58 28.421 24.298 26.241 1.00 0.00 N ATOM 955 CA VAL A 58 29.604 25.088 26.093 1.00 0.00 C ATOM 956 C VAL A 58 30.642 24.668 27.076 1.00 0.00 C ATOM 957 O VAL A 58 31.810 24.456 26.754 1.00 0.00 O ATOM 958 CB VAL A 58 29.236 26.542 26.065 1.00 0.00 C ATOM 959 CG1 VAL A 58 29.271 27.288 27.409 1.00 0.00 C ATOM 960 CG2 VAL A 58 30.232 27.227 25.113 1.00 0.00 C ATOM 0 H VAL A 58 27.623 24.817 26.607 1.00 0.00 H new ATOM 0 HA VAL A 58 30.089 24.914 25.132 1.00 0.00 H new ATOM 0 HB VAL A 58 28.193 26.586 25.753 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.986 28.329 27.255 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.574 26.819 28.103 1.00 0.00 H new ATOM 0 HG13 VAL A 58 30.279 27.246 27.823 1.00 0.00 H new ATOM 0 HG21 VAL A 58 30.007 28.292 25.056 1.00 0.00 H new ATOM 0 HG22 VAL A 58 31.246 27.089 25.487 1.00 0.00 H new ATOM 0 HG23 VAL A 58 30.149 26.785 24.120 1.00 0.00 H new ATOM 970 N PHE A 59 30.155 24.373 28.295 1.00 0.00 N ATOM 971 CA PHE A 59 30.832 23.672 29.341 1.00 0.00 C ATOM 972 C PHE A 59 31.356 22.341 28.925 1.00 0.00 C ATOM 973 O PHE A 59 32.537 22.066 29.130 1.00 0.00 O ATOM 974 CB PHE A 59 29.858 23.553 30.524 1.00 0.00 C ATOM 975 CG PHE A 59 30.374 23.052 31.829 1.00 0.00 C ATOM 976 CD1 PHE A 59 31.706 23.006 32.170 1.00 0.00 C ATOM 977 CD2 PHE A 59 29.441 22.659 32.759 1.00 0.00 C ATOM 978 CE1 PHE A 59 32.097 22.559 33.411 1.00 0.00 C ATOM 979 CE2 PHE A 59 29.820 22.219 34.005 1.00 0.00 C ATOM 980 CZ PHE A 59 31.155 22.166 34.331 1.00 0.00 C ATOM 0 H PHE A 59 29.212 24.648 28.569 1.00 0.00 H new ATOM 0 HA PHE A 59 31.720 24.237 29.625 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.425 24.539 30.696 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.044 22.897 30.217 1.00 0.00 H new ATOM 0 HD1 PHE A 59 32.452 23.324 31.457 1.00 0.00 H new ATOM 0 HD2 PHE A 59 28.392 22.697 32.506 1.00 0.00 H new ATOM 0 HE1 PHE A 59 33.146 22.517 33.663 1.00 0.00 H new ATOM 0 HE2 PHE A 59 29.073 21.917 34.724 1.00 0.00 H new ATOM 0 HZ PHE A 59 31.462 21.817 35.306 1.00 0.00 H new ATOM 990 N THR A 60 30.549 21.479 28.282 1.00 0.00 N ATOM 991 CA THR A 60 30.955 20.202 27.781 1.00 0.00 C ATOM 992 C THR A 60 32.109 20.263 26.842 1.00 0.00 C ATOM 993 O THR A 60 33.051 19.478 26.937 1.00 0.00 O ATOM 994 CB THR A 60 29.854 19.357 27.213 1.00 0.00 C ATOM 995 OG1 THR A 60 29.871 18.063 27.797 1.00 0.00 O ATOM 996 CG2 THR A 60 29.883 19.145 25.689 1.00 0.00 C ATOM 0 H THR A 60 29.566 21.682 28.103 1.00 0.00 H new ATOM 0 HA THR A 60 31.289 19.694 28.686 1.00 0.00 H new ATOM 0 HB THR A 60 28.955 19.927 27.448 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.146 17.523 27.418 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.041 18.520 25.393 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.813 20.110 25.186 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.815 18.655 25.407 1.00 0.00 H new ATOM 1004 N GLU A 61 32.096 21.224 25.901 1.00 0.00 N ATOM 1005 CA GLU A 61 33.139 21.338 24.929 1.00 0.00 C ATOM 1006 C GLU A 61 34.379 21.948 25.485 1.00 0.00 C ATOM 1007 O GLU A 61 35.439 21.350 25.310 1.00 0.00 O ATOM 1008 CB GLU A 61 32.660 21.831 23.553 1.00 0.00 C ATOM 1009 CG GLU A 61 31.725 20.809 22.906 1.00 0.00 C ATOM 1010 CD GLU A 61 31.623 20.914 21.391 1.00 0.00 C ATOM 1011 OE1 GLU A 61 32.652 20.724 20.689 1.00 0.00 O ATOM 1012 OE2 GLU A 61 30.491 21.129 20.881 1.00 0.00 O ATOM 0 H GLU A 61 31.360 21.925 25.813 1.00 0.00 H new ATOM 0 HA GLU A 61 33.463 20.327 24.683 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.144 22.785 23.663 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.519 22.006 22.905 1.00 0.00 H new ATOM 0 HG2 GLU A 61 32.068 19.807 23.165 1.00 0.00 H new ATOM 0 HG3 GLU A 61 30.729 20.926 23.333 1.00 0.00 H new ATOM 1019 N VAL A 62 34.336 23.036 26.275 1.00 0.00 N ATOM 1020 CA VAL A 62 35.454 23.598 26.968 1.00 0.00 C ATOM 1021 C VAL A 62 36.185 22.635 27.840 1.00 0.00 C ATOM 1022 O VAL A 62 37.410 22.608 27.939 1.00 0.00 O ATOM 1023 CB VAL A 62 35.011 24.771 27.791 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.138 25.333 28.673 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.576 25.862 26.797 1.00 0.00 C ATOM 0 H VAL A 62 33.472 23.552 26.439 1.00 0.00 H new ATOM 0 HA VAL A 62 36.155 23.905 26.192 1.00 0.00 H new ATOM 0 HB VAL A 62 34.209 24.456 28.459 1.00 0.00 H new ATOM 0 HG11 VAL A 62 35.763 26.180 29.247 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.487 24.558 29.356 1.00 0.00 H new ATOM 0 HG13 VAL A 62 36.965 25.660 28.042 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.243 26.743 27.346 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.418 26.130 26.159 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.759 25.488 26.181 1.00 0.00 H new ATOM 1035 N ALA A 63 35.411 21.723 28.455 1.00 0.00 N ATOM 1036 CA ALA A 63 35.884 20.681 29.313 1.00 0.00 C ATOM 1037 C ALA A 63 36.745 19.700 28.596 1.00 0.00 C ATOM 1038 O ALA A 63 37.687 19.171 29.183 1.00 0.00 O ATOM 1039 CB ALA A 63 34.729 19.895 29.958 1.00 0.00 C ATOM 0 H ALA A 63 34.397 21.713 28.347 1.00 0.00 H new ATOM 0 HA ALA A 63 36.467 21.192 30.080 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.135 19.114 30.601 1.00 0.00 H new ATOM 0 HB2 ALA A 63 34.115 20.572 30.552 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.117 19.441 29.178 1.00 0.00 H new ATOM 1045 N ASN A 64 36.497 19.444 27.298 1.00 0.00 N ATOM 1046 CA ASN A 64 37.285 18.506 26.560 1.00 0.00 C ATOM 1047 C ASN A 64 38.650 19.027 26.269 1.00 0.00 C ATOM 1048 O ASN A 64 39.632 18.287 26.241 1.00 0.00 O ATOM 1049 CB ASN A 64 36.602 17.926 25.311 1.00 0.00 C ATOM 1050 CG ASN A 64 36.643 18.763 24.039 1.00 0.00 C ATOM 1051 OD1 ASN A 64 37.688 19.081 23.474 1.00 0.00 O ATOM 1052 ND2 ASN A 64 35.443 19.116 23.504 1.00 0.00 N ATOM 0 H ASN A 64 35.751 19.886 26.760 1.00 0.00 H new ATOM 0 HA ASN A 64 37.392 17.652 27.229 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.059 16.961 25.094 1.00 0.00 H new ATOM 0 HB3 ASN A 64 35.557 17.736 25.556 1.00 0.00 H new ATOM 0 HD21 ASN A 64 35.409 19.645 22.633 1.00 0.00 H new ATOM 0 HD22 ASN A 64 34.577 18.851 23.974 1.00 0.00 H new ATOM 1059 N LEU A 65 38.768 20.351 26.071 1.00 0.00 N ATOM 1060 CA LEU A 65 40.026 20.994 25.846 1.00 0.00 C ATOM 1061 C LEU A 65 40.881 21.032 27.065 1.00 0.00 C ATOM 1062 O LEU A 65 42.087 20.794 27.030 1.00 0.00 O ATOM 1063 CB LEU A 65 39.909 22.439 25.334 1.00 0.00 C ATOM 1064 CG LEU A 65 39.096 22.612 24.038 1.00 0.00 C ATOM 1065 CD1 LEU A 65 37.668 23.055 24.400 1.00 0.00 C ATOM 1066 CD2 LEU A 65 39.740 23.665 23.122 1.00 0.00 C ATOM 0 H LEU A 65 37.973 20.990 26.067 1.00 0.00 H new ATOM 0 HA LEU A 65 40.484 20.375 25.075 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.452 23.048 26.114 1.00 0.00 H new ATOM 0 HB3 LEU A 65 40.912 22.831 25.169 1.00 0.00 H new ATOM 0 HG LEU A 65 39.075 21.661 23.506 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.084 23.180 23.488 1.00 0.00 H new ATOM 0 HD12 LEU A 65 37.201 22.298 25.029 1.00 0.00 H new ATOM 0 HD13 LEU A 65 37.706 24.001 24.939 1.00 0.00 H new ATOM 0 HD21 LEU A 65 39.147 23.769 22.213 1.00 0.00 H new ATOM 0 HD22 LEU A 65 39.780 24.623 23.641 1.00 0.00 H new ATOM 0 HD23 LEU A 65 40.751 23.351 22.862 1.00 0.00 H new ATOM 1078 N PHE A 66 40.251 21.342 28.212 1.00 0.00 N ATOM 1079 CA PHE A 66 40.879 21.655 29.459 1.00 0.00 C ATOM 1080 C PHE A 66 41.104 20.423 30.266 1.00 0.00 C ATOM 1081 O PHE A 66 41.756 20.443 31.308 1.00 0.00 O ATOM 1082 CB PHE A 66 39.988 22.586 30.298 1.00 0.00 C ATOM 1083 CG PHE A 66 39.961 24.029 29.924 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.204 24.519 28.663 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.629 24.920 30.918 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.118 25.866 28.398 1.00 0.00 C ATOM 1087 CE2 PHE A 66 39.575 26.272 30.677 1.00 0.00 C ATOM 1088 CZ PHE A 66 39.814 26.747 29.409 1.00 0.00 C ATOM 0 H PHE A 66 39.233 21.376 28.272 1.00 0.00 H new ATOM 0 HA PHE A 66 41.828 22.137 29.223 1.00 0.00 H new ATOM 0 HB2 PHE A 66 38.967 22.207 30.252 1.00 0.00 H new ATOM 0 HB3 PHE A 66 40.309 22.513 31.337 1.00 0.00 H new ATOM 0 HD1 PHE A 66 40.466 23.836 27.868 1.00 0.00 H new ATOM 0 HD2 PHE A 66 39.406 24.550 31.908 1.00 0.00 H new ATOM 0 HE1 PHE A 66 40.289 26.231 27.396 1.00 0.00 H new ATOM 0 HE2 PHE A 66 39.346 26.958 31.479 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.763 27.807 29.208 1.00 0.00 H new ATOM 1098 N ARG A 67 40.551 19.292 29.790 1.00 0.00 N ATOM 1099 CA ARG A 67 40.395 18.020 30.423 1.00 0.00 C ATOM 1100 C ARG A 67 41.611 17.468 31.086 1.00 0.00 C ATOM 1101 O ARG A 67 42.709 17.464 30.535 1.00 0.00 O ATOM 1102 CB ARG A 67 39.898 17.043 29.343 1.00 0.00 C ATOM 1103 CG ARG A 67 38.876 15.970 29.723 1.00 0.00 C ATOM 1104 CD ARG A 67 39.402 14.739 30.463 1.00 0.00 C ATOM 1105 NE ARG A 67 40.563 14.207 29.696 1.00 0.00 N ATOM 1106 CZ ARG A 67 41.530 13.468 30.312 1.00 0.00 C ATOM 1107 NH1 ARG A 67 41.232 12.656 31.369 1.00 0.00 N ATOM 1108 NH2 ARG A 67 42.837 13.583 29.938 1.00 0.00 N ATOM 0 H ARG A 67 40.168 19.273 28.845 1.00 0.00 H new ATOM 0 HA ARG A 67 39.690 18.155 31.243 1.00 0.00 H new ATOM 0 HB2 ARG A 67 39.467 17.636 28.537 1.00 0.00 H new ATOM 0 HB3 ARG A 67 40.771 16.535 28.933 1.00 0.00 H new ATOM 0 HG2 ARG A 67 38.110 16.436 30.343 1.00 0.00 H new ATOM 0 HG3 ARG A 67 38.385 15.632 28.810 1.00 0.00 H new ATOM 0 HD2 ARG A 67 39.703 15.003 31.477 1.00 0.00 H new ATOM 0 HD3 ARG A 67 38.622 13.983 30.548 1.00 0.00 H new ATOM 0 HE ARG A 67 40.636 14.398 28.697 1.00 0.00 H new ATOM 0 HH11 ARG A 67 40.273 12.595 31.710 1.00 0.00 H new ATOM 0 HH12 ARG A 67 41.969 12.111 31.817 1.00 0.00 H new ATOM 0 HH21 ARG A 67 43.099 14.226 29.191 1.00 0.00 H new ATOM 0 HH22 ARG A 67 43.552 13.026 30.405 1.00 0.00 H new ATOM 1122 N GLY A 68 41.412 16.997 32.330 1.00 0.00 N ATOM 1123 CA GLY A 68 42.441 16.553 33.218 1.00 0.00 C ATOM 1124 C GLY A 68 42.625 17.563 34.299 1.00 0.00 C ATOM 1125 O GLY A 68 42.725 17.222 35.477 1.00 0.00 O ATOM 0 H GLY A 68 40.480 16.922 32.738 1.00 0.00 H new ATOM 0 HA2 GLY A 68 42.175 15.587 33.648 1.00 0.00 H new ATOM 0 HA3 GLY A 68 43.374 16.413 32.672 1.00 0.00 H new ATOM 1129 N GLN A 69 42.698 18.849 33.914 1.00 0.00 N ATOM 1130 CA GLN A 69 42.939 19.956 34.787 1.00 0.00 C ATOM 1131 C GLN A 69 41.678 20.569 35.289 1.00 0.00 C ATOM 1132 O GLN A 69 41.096 21.489 34.717 1.00 0.00 O ATOM 1133 CB GLN A 69 43.812 21.001 34.071 1.00 0.00 C ATOM 1134 CG GLN A 69 45.149 20.422 33.601 1.00 0.00 C ATOM 1135 CD GLN A 69 45.202 19.744 32.239 1.00 0.00 C ATOM 1136 OE1 GLN A 69 45.694 18.624 32.117 1.00 0.00 O ATOM 1137 NE2 GLN A 69 44.726 20.438 31.171 1.00 0.00 N ATOM 0 H GLN A 69 42.583 19.132 32.941 1.00 0.00 H new ATOM 0 HA GLN A 69 43.469 19.581 35.662 1.00 0.00 H new ATOM 0 HB2 GLN A 69 43.269 21.397 33.213 1.00 0.00 H new ATOM 0 HB3 GLN A 69 43.998 21.838 34.744 1.00 0.00 H new ATOM 0 HG2 GLN A 69 45.879 21.231 33.598 1.00 0.00 H new ATOM 0 HG3 GLN A 69 45.478 19.698 34.346 1.00 0.00 H new ATOM 0 HE21 GLN A 69 44.323 21.366 31.304 1.00 0.00 H new ATOM 0 HE22 GLN A 69 44.772 20.031 30.237 1.00 0.00 H new ATOM 1146 N GLU A 70 41.226 20.086 36.460 1.00 0.00 N ATOM 1147 CA GLU A 70 39.943 20.355 37.031 1.00 0.00 C ATOM 1148 C GLU A 70 39.866 21.676 37.714 1.00 0.00 C ATOM 1149 O GLU A 70 38.793 22.255 37.880 1.00 0.00 O ATOM 1150 CB GLU A 70 39.560 19.233 38.011 1.00 0.00 C ATOM 1151 CG GLU A 70 39.649 17.850 37.362 1.00 0.00 C ATOM 1152 CD GLU A 70 39.179 16.754 38.308 1.00 0.00 C ATOM 1153 OE1 GLU A 70 37.949 16.664 38.564 1.00 0.00 O ATOM 1154 OE2 GLU A 70 40.027 15.954 38.787 1.00 0.00 O ATOM 0 H GLU A 70 41.792 19.470 37.043 1.00 0.00 H new ATOM 0 HA GLU A 70 39.234 20.391 36.204 1.00 0.00 H new ATOM 0 HB2 GLU A 70 40.218 19.269 38.879 1.00 0.00 H new ATOM 0 HB3 GLU A 70 38.545 19.399 38.373 1.00 0.00 H new ATOM 0 HG2 GLU A 70 39.043 17.833 36.456 1.00 0.00 H new ATOM 0 HG3 GLU A 70 40.678 17.655 37.061 1.00 0.00 H new ATOM 1161 N ASP A 71 41.036 22.230 38.079 1.00 0.00 N ATOM 1162 CA ASP A 71 41.302 23.508 38.665 1.00 0.00 C ATOM 1163 C ASP A 71 40.577 24.621 37.991 1.00 0.00 C ATOM 1164 O ASP A 71 39.982 25.508 38.601 1.00 0.00 O ATOM 1165 CB ASP A 71 42.829 23.661 38.567 1.00 0.00 C ATOM 1166 CG ASP A 71 43.408 24.796 39.401 1.00 0.00 C ATOM 1167 OD1 ASP A 71 43.437 25.958 38.914 1.00 0.00 O ATOM 1168 OD2 ASP A 71 43.900 24.514 40.526 1.00 0.00 O ATOM 0 H ASP A 71 41.904 21.712 37.944 1.00 0.00 H new ATOM 0 HA ASP A 71 40.946 23.560 39.694 1.00 0.00 H new ATOM 0 HB2 ASP A 71 43.295 22.726 38.877 1.00 0.00 H new ATOM 0 HB3 ASP A 71 43.099 23.821 37.523 1.00 0.00 H new ATOM 1173 N LEU A 72 40.537 24.572 36.648 1.00 0.00 N ATOM 1174 CA LEU A 72 39.891 25.553 35.832 1.00 0.00 C ATOM 1175 C LEU A 72 38.413 25.384 35.738 1.00 0.00 C ATOM 1176 O LEU A 72 37.674 26.364 35.818 1.00 0.00 O ATOM 1177 CB LEU A 72 40.566 25.552 34.449 1.00 0.00 C ATOM 1178 CG LEU A 72 42.091 25.748 34.504 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.667 25.681 33.080 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.524 27.053 35.191 1.00 0.00 C ATOM 0 H LEU A 72 40.970 23.822 36.110 1.00 0.00 H new ATOM 0 HA LEU A 72 40.014 26.526 36.308 1.00 0.00 H new ATOM 0 HB2 LEU A 72 40.348 24.608 33.949 1.00 0.00 H new ATOM 0 HB3 LEU A 72 40.129 26.344 33.841 1.00 0.00 H new ATOM 0 HG LEU A 72 42.490 24.940 35.117 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.747 25.820 33.118 1.00 0.00 H new ATOM 0 HD12 LEU A 72 42.441 24.709 32.641 1.00 0.00 H new ATOM 0 HD13 LEU A 72 42.221 26.467 32.470 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.612 27.120 35.191 1.00 0.00 H new ATOM 0 HD22 LEU A 72 42.108 27.904 34.651 1.00 0.00 H new ATOM 0 HD23 LEU A 72 42.160 27.062 36.218 1.00 0.00 H new ATOM 1192 N LEU A 73 37.861 24.166 35.601 1.00 0.00 N ATOM 1193 CA LEU A 73 36.457 23.944 35.451 1.00 0.00 C ATOM 1194 C LEU A 73 35.678 24.138 36.708 1.00 0.00 C ATOM 1195 O LEU A 73 34.468 24.358 36.716 1.00 0.00 O ATOM 1196 CB LEU A 73 36.102 22.548 34.912 1.00 0.00 C ATOM 1197 CG LEU A 73 36.422 22.327 33.424 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.909 23.447 32.504 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.925 22.060 33.231 1.00 0.00 C ATOM 0 H LEU A 73 38.410 23.307 35.594 1.00 0.00 H new ATOM 0 HA LEU A 73 36.177 24.704 34.722 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.637 21.801 35.498 1.00 0.00 H new ATOM 0 HB3 LEU A 73 35.038 22.374 35.069 1.00 0.00 H new ATOM 0 HG LEU A 73 35.869 21.440 33.115 1.00 0.00 H new ATOM 0 HD11 LEU A 73 36.173 23.219 31.471 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.825 23.523 32.593 1.00 0.00 H new ATOM 0 HD13 LEU A 73 36.364 24.394 32.795 1.00 0.00 H new ATOM 0 HD21 LEU A 73 38.134 21.906 32.172 1.00 0.00 H new ATOM 0 HD22 LEU A 73 38.496 22.915 33.593 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.211 21.170 33.791 1.00 0.00 H new ATOM 1211 N SER A 74 36.400 24.086 37.842 1.00 0.00 N ATOM 1212 CA SER A 74 35.953 24.425 39.157 1.00 0.00 C ATOM 1213 C SER A 74 35.463 25.832 39.210 1.00 0.00 C ATOM 1214 O SER A 74 34.337 26.131 39.604 1.00 0.00 O ATOM 1215 CB SER A 74 37.080 24.191 40.177 1.00 0.00 C ATOM 1216 OG SER A 74 36.666 24.359 41.525 1.00 0.00 O ATOM 0 H SER A 74 37.374 23.782 37.837 1.00 0.00 H new ATOM 0 HA SER A 74 35.115 23.777 39.415 1.00 0.00 H new ATOM 0 HB2 SER A 74 37.472 23.182 40.048 1.00 0.00 H new ATOM 0 HB3 SER A 74 37.898 24.880 39.968 1.00 0.00 H new ATOM 0 HG SER A 74 37.425 24.195 42.123 1.00 0.00 H new ATOM 1222 N GLU A 75 36.299 26.761 38.714 1.00 0.00 N ATOM 1223 CA GLU A 75 36.023 28.157 38.577 1.00 0.00 C ATOM 1224 C GLU A 75 35.098 28.505 37.463 1.00 0.00 C ATOM 1225 O GLU A 75 34.416 29.527 37.511 1.00 0.00 O ATOM 1226 CB GLU A 75 37.385 28.856 38.423 1.00 0.00 C ATOM 1227 CG GLU A 75 37.337 30.353 38.735 1.00 0.00 C ATOM 1228 CD GLU A 75 38.723 30.977 38.818 1.00 0.00 C ATOM 1229 OE1 GLU A 75 39.686 30.433 38.215 1.00 0.00 O ATOM 1230 OE2 GLU A 75 38.883 32.003 39.531 1.00 0.00 O ATOM 0 H GLU A 75 37.234 26.518 38.386 1.00 0.00 H new ATOM 0 HA GLU A 75 35.485 28.496 39.462 1.00 0.00 H new ATOM 0 HB2 GLU A 75 38.108 28.377 39.084 1.00 0.00 H new ATOM 0 HB3 GLU A 75 37.744 28.716 37.403 1.00 0.00 H new ATOM 0 HG2 GLU A 75 36.758 30.863 37.965 1.00 0.00 H new ATOM 0 HG3 GLU A 75 36.816 30.507 39.680 1.00 0.00 H new ATOM 1237 N PHE A 76 34.951 27.628 36.454 1.00 0.00 N ATOM 1238 CA PHE A 76 34.018 27.784 35.380 1.00 0.00 C ATOM 1239 C PHE A 76 32.611 27.891 35.859 1.00 0.00 C ATOM 1240 O PHE A 76 31.774 28.572 35.268 1.00 0.00 O ATOM 1241 CB PHE A 76 34.133 26.620 34.383 1.00 0.00 C ATOM 1242 CG PHE A 76 33.573 26.863 33.023 1.00 0.00 C ATOM 1243 CD1 PHE A 76 34.368 27.437 32.059 1.00 0.00 C ATOM 1244 CD2 PHE A 76 32.297 26.490 32.675 1.00 0.00 C ATOM 1245 CE1 PHE A 76 33.906 27.662 30.783 1.00 0.00 C ATOM 1246 CE2 PHE A 76 31.825 26.697 31.400 1.00 0.00 C ATOM 1247 CZ PHE A 76 32.626 27.288 30.450 1.00 0.00 C ATOM 0 H PHE A 76 35.505 26.775 36.383 1.00 0.00 H new ATOM 0 HA PHE A 76 34.274 28.719 34.882 1.00 0.00 H new ATOM 0 HB2 PHE A 76 35.187 26.361 34.279 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.632 25.752 34.810 1.00 0.00 H new ATOM 0 HD1 PHE A 76 35.380 27.718 32.310 1.00 0.00 H new ATOM 0 HD2 PHE A 76 31.657 26.028 33.412 1.00 0.00 H new ATOM 0 HE1 PHE A 76 34.545 28.129 30.048 1.00 0.00 H new ATOM 0 HE2 PHE A 76 30.821 26.394 31.143 1.00 0.00 H new ATOM 0 HZ PHE A 76 32.252 27.457 29.451 1.00 0.00 H new ATOM 1257 N GLY A 77 32.326 27.254 37.009 1.00 0.00 N ATOM 1258 CA GLY A 77 31.068 27.218 37.685 1.00 0.00 C ATOM 1259 C GLY A 77 30.617 28.504 38.289 1.00 0.00 C ATOM 1260 O GLY A 77 29.438 28.655 38.604 1.00 0.00 O ATOM 0 H GLY A 77 33.038 26.719 37.506 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.308 26.884 36.979 1.00 0.00 H new ATOM 0 HA3 GLY A 77 31.123 26.468 38.474 1.00 0.00 H new ATOM 1264 N GLN A 78 31.503 29.490 38.510 1.00 0.00 N ATOM 1265 CA GLN A 78 31.149 30.743 39.102 1.00 0.00 C ATOM 1266 C GLN A 78 30.406 31.628 38.161 1.00 0.00 C ATOM 1267 O GLN A 78 29.663 32.522 38.564 1.00 0.00 O ATOM 1268 CB GLN A 78 32.395 31.486 39.613 1.00 0.00 C ATOM 1269 CG GLN A 78 33.122 30.680 40.692 1.00 0.00 C ATOM 1270 CD GLN A 78 34.271 31.463 41.311 1.00 0.00 C ATOM 1271 OE1 GLN A 78 34.549 32.619 40.994 1.00 0.00 O ATOM 1272 NE2 GLN A 78 34.995 30.811 42.259 1.00 0.00 N ATOM 0 H GLN A 78 32.492 29.415 38.271 1.00 0.00 H new ATOM 0 HA GLN A 78 30.492 30.507 39.939 1.00 0.00 H new ATOM 0 HB2 GLN A 78 33.073 31.678 38.781 1.00 0.00 H new ATOM 0 HB3 GLN A 78 32.103 32.456 40.016 1.00 0.00 H new ATOM 0 HG2 GLN A 78 32.415 30.397 41.472 1.00 0.00 H new ATOM 0 HG3 GLN A 78 33.505 29.756 40.258 1.00 0.00 H new ATOM 0 HE21 GLN A 78 34.756 29.853 42.514 1.00 0.00 H new ATOM 0 HE22 GLN A 78 35.777 31.280 42.715 1.00 0.00 H new ATOM 1466 N ASN B 201 28.629 36.060 34.025 1.00 0.00 N ATOM 1467 CA ASN B 201 28.232 34.910 33.275 1.00 0.00 C ATOM 1468 C ASN B 201 29.220 34.688 32.183 1.00 0.00 C ATOM 1469 O ASN B 201 30.191 35.434 32.069 1.00 0.00 O ATOM 1470 CB ASN B 201 26.795 35.082 32.753 1.00 0.00 C ATOM 1471 CG ASN B 201 26.061 33.749 32.729 1.00 0.00 C ATOM 1472 OD1 ASN B 201 26.278 32.926 31.840 1.00 0.00 O ATOM 1473 ND2 ASN B 201 25.181 33.509 33.737 1.00 0.00 N ATOM 0 HA ASN B 201 28.224 34.023 33.908 1.00 0.00 H new ATOM 0 HB2 ASN B 201 26.256 35.787 33.386 1.00 0.00 H new ATOM 0 HB3 ASN B 201 26.817 35.507 31.750 1.00 0.00 H new ATOM 0 HD21 ASN B 201 24.676 32.624 33.773 1.00 0.00 H new ATOM 0 HD22 ASN B 201 25.026 34.214 34.457 1.00 0.00 H new ATOM 1480 N ILE B 202 29.007 33.673 31.326 1.00 0.00 N ATOM 1481 CA ILE B 202 29.863 33.259 30.258 1.00 0.00 C ATOM 1482 C ILE B 202 30.172 34.349 29.289 1.00 0.00 C ATOM 1483 O ILE B 202 31.291 34.445 28.789 1.00 0.00 O ATOM 1484 CB ILE B 202 29.331 32.028 29.586 1.00 0.00 C ATOM 1485 CG1 ILE B 202 29.540 30.770 30.446 1.00 0.00 C ATOM 1486 CG2 ILE B 202 29.857 31.830 28.154 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.957 30.200 30.492 1.00 0.00 C ATOM 0 H ILE B 202 28.168 33.097 31.387 1.00 0.00 H new ATOM 0 HA ILE B 202 30.821 33.002 30.709 1.00 0.00 H new ATOM 0 HB ILE B 202 28.258 32.190 29.488 1.00 0.00 H new ATOM 0 HG12 ILE B 202 29.232 31.000 31.466 1.00 0.00 H new ATOM 0 HG13 ILE B 202 28.871 29.991 30.079 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.430 30.920 27.732 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.571 32.684 27.540 1.00 0.00 H new ATOM 0 HG23 ILE B 202 30.943 31.745 28.174 1.00 0.00 H new ATOM 0 HD11 ILE B 202 30.973 29.316 31.130 1.00 0.00 H new ATOM 0 HD12 ILE B 202 31.272 29.926 29.485 1.00 0.00 H new ATOM 0 HD13 ILE B 202 31.638 30.950 30.894 1.00 0.00 H new ATOM 1499 N GLN B 203 29.221 35.262 29.028 1.00 0.00 N ATOM 1500 CA GLN B 203 29.376 36.447 28.241 1.00 0.00 C ATOM 1501 C GLN B 203 30.599 37.265 28.470 1.00 0.00 C ATOM 1502 O GLN B 203 31.208 37.776 27.531 1.00 0.00 O ATOM 1503 CB GLN B 203 28.110 37.315 28.333 1.00 0.00 C ATOM 1504 CG GLN B 203 27.769 37.839 29.729 1.00 0.00 C ATOM 1505 CD GLN B 203 26.402 38.508 29.759 1.00 0.00 C ATOM 1506 OE1 GLN B 203 25.371 37.871 29.972 1.00 0.00 O ATOM 1507 NE2 GLN B 203 26.379 39.850 29.541 1.00 0.00 N ATOM 0 H GLN B 203 28.274 35.165 29.394 1.00 0.00 H new ATOM 0 HA GLN B 203 29.522 36.069 27.229 1.00 0.00 H new ATOM 0 HB2 GLN B 203 28.225 38.167 27.663 1.00 0.00 H new ATOM 0 HB3 GLN B 203 27.264 36.733 27.966 1.00 0.00 H new ATOM 0 HG2 GLN B 203 27.787 37.015 30.442 1.00 0.00 H new ATOM 0 HG3 GLN B 203 28.530 38.552 30.047 1.00 0.00 H new ATOM 0 HE21 GLN B 203 27.249 40.353 29.367 1.00 0.00 H new ATOM 0 HE22 GLN B 203 25.492 40.353 29.552 1.00 0.00 H new ATOM 1516 N MET B 204 31.062 37.384 29.727 1.00 0.00 N ATOM 1517 CA MET B 204 32.261 38.077 30.085 1.00 0.00 C ATOM 1518 C MET B 204 33.530 37.422 29.657 1.00 0.00 C ATOM 1519 O MET B 204 34.564 38.085 29.585 1.00 0.00 O ATOM 1520 CB MET B 204 32.273 38.384 31.593 1.00 0.00 C ATOM 1521 CG MET B 204 31.494 39.663 31.904 1.00 0.00 C ATOM 1522 SD MET B 204 30.425 39.598 33.373 1.00 0.00 S ATOM 1523 CE MET B 204 31.753 39.439 34.602 1.00 0.00 C ATOM 0 H MET B 204 30.579 36.979 30.529 1.00 0.00 H new ATOM 0 HA MET B 204 32.234 39.007 29.517 1.00 0.00 H new ATOM 0 HB2 MET B 204 31.838 37.548 32.140 1.00 0.00 H new ATOM 0 HB3 MET B 204 33.302 38.489 31.937 1.00 0.00 H new ATOM 0 HG2 MET B 204 32.206 40.478 32.031 1.00 0.00 H new ATOM 0 HG3 MET B 204 30.878 39.910 31.040 1.00 0.00 H new ATOM 0 HE1 MET B 204 31.319 39.256 35.585 1.00 0.00 H new ATOM 0 HE2 MET B 204 32.402 38.606 34.331 1.00 0.00 H new ATOM 0 HE3 MET B 204 32.337 40.359 34.628 1.00 0.00 H new ATOM 1533 N LEU B 205 33.551 36.119 29.326 1.00 0.00 N ATOM 1534 CA LEU B 205 34.741 35.460 28.886 1.00 0.00 C ATOM 1535 C LEU B 205 35.270 35.934 27.576 1.00 0.00 C ATOM 1536 O LEU B 205 36.474 36.086 27.378 1.00 0.00 O ATOM 1537 CB LEU B 205 34.626 33.927 28.887 1.00 0.00 C ATOM 1538 CG LEU B 205 34.474 33.294 30.280 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.317 31.768 30.180 1.00 0.00 C ATOM 1540 CD2 LEU B 205 35.673 33.616 31.189 1.00 0.00 C ATOM 0 H LEU B 205 32.731 35.514 29.364 1.00 0.00 H new ATOM 0 HA LEU B 205 35.472 35.749 29.641 1.00 0.00 H new ATOM 0 HB2 LEU B 205 33.769 33.640 28.277 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.512 33.510 28.408 1.00 0.00 H new ATOM 0 HG LEU B 205 33.575 33.725 30.721 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.211 31.347 31.180 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.431 31.531 29.591 1.00 0.00 H new ATOM 0 HD13 LEU B 205 35.197 31.342 29.698 1.00 0.00 H new ATOM 0 HD21 LEU B 205 35.526 33.150 32.164 1.00 0.00 H new ATOM 0 HD22 LEU B 205 36.587 33.230 30.736 1.00 0.00 H new ATOM 0 HD23 LEU B 205 35.757 34.696 31.312 1.00 0.00 H new ATOM 1552 N LEU B 206 34.355 36.282 26.654 1.00 0.00 N ATOM 1553 CA LEU B 206 34.641 36.781 25.344 1.00 0.00 C ATOM 1554 C LEU B 206 35.152 38.179 25.396 1.00 0.00 C ATOM 1555 O LEU B 206 35.849 38.637 24.492 1.00 0.00 O ATOM 1556 CB LEU B 206 33.340 36.675 24.531 1.00 0.00 C ATOM 1557 CG LEU B 206 32.775 35.252 24.381 1.00 0.00 C ATOM 1558 CD1 LEU B 206 33.852 34.274 23.884 1.00 0.00 C ATOM 1559 CD2 LEU B 206 32.058 34.671 25.612 1.00 0.00 C ATOM 0 H LEU B 206 33.354 36.210 26.835 1.00 0.00 H new ATOM 0 HA LEU B 206 35.430 36.196 24.871 1.00 0.00 H new ATOM 0 HB2 LEU B 206 32.583 37.301 25.004 1.00 0.00 H new ATOM 0 HB3 LEU B 206 33.517 37.085 23.537 1.00 0.00 H new ATOM 0 HG LEU B 206 31.991 35.368 23.633 1.00 0.00 H new ATOM 0 HD11 LEU B 206 33.422 33.277 23.788 1.00 0.00 H new ATOM 0 HD12 LEU B 206 34.223 34.604 22.914 1.00 0.00 H new ATOM 0 HD13 LEU B 206 34.676 34.247 24.597 1.00 0.00 H new ATOM 0 HD21 LEU B 206 31.704 33.665 25.386 1.00 0.00 H new ATOM 0 HD22 LEU B 206 32.752 34.631 26.452 1.00 0.00 H new ATOM 0 HD23 LEU B 206 31.210 35.304 25.872 1.00 0.00 H new ATOM 1571 N GLU B 207 34.839 38.894 26.491 1.00 0.00 N ATOM 1572 CA GLU B 207 35.315 40.212 26.781 1.00 0.00 C ATOM 1573 C GLU B 207 36.685 40.181 27.367 1.00 0.00 C ATOM 1574 O GLU B 207 37.603 40.836 26.879 1.00 0.00 O ATOM 1575 CB GLU B 207 34.359 40.941 27.740 1.00 0.00 C ATOM 1576 CG GLU B 207 33.003 41.304 27.131 1.00 0.00 C ATOM 1577 CD GLU B 207 33.058 42.487 26.175 1.00 0.00 C ATOM 1578 OE1 GLU B 207 34.084 43.216 26.131 1.00 0.00 O ATOM 1579 OE2 GLU B 207 32.050 42.709 25.451 1.00 0.00 O ATOM 0 H GLU B 207 34.219 38.532 27.215 1.00 0.00 H new ATOM 0 HA GLU B 207 35.356 40.755 25.837 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.193 40.312 28.615 1.00 0.00 H new ATOM 0 HB3 GLU B 207 34.842 41.853 28.090 1.00 0.00 H new ATOM 0 HG2 GLU B 207 32.610 40.437 26.600 1.00 0.00 H new ATOM 0 HG3 GLU B 207 32.303 41.530 27.935 1.00 0.00 H new ATOM 1586 N ALA B 208 36.870 39.397 28.445 1.00 0.00 N ATOM 1587 CA ALA B 208 38.100 39.221 29.153 1.00 0.00 C ATOM 1588 C ALA B 208 39.210 38.708 28.300 1.00 0.00 C ATOM 1589 O ALA B 208 40.324 39.228 28.352 1.00 0.00 O ATOM 1590 CB ALA B 208 37.861 38.277 30.343 1.00 0.00 C ATOM 0 H ALA B 208 36.109 38.850 28.848 1.00 0.00 H new ATOM 0 HA ALA B 208 38.419 40.204 29.498 1.00 0.00 H new ATOM 0 HB1 ALA B 208 38.794 38.137 30.889 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.113 38.711 31.007 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.506 37.313 29.977 1.00 0.00 H new ATOM 1596 N ALA B 209 38.941 37.714 27.436 1.00 0.00 N ATOM 1597 CA ALA B 209 39.869 37.185 26.485 1.00 0.00 C ATOM 1598 C ALA B 209 40.387 38.165 25.490 1.00 0.00 C ATOM 1599 O ALA B 209 41.568 38.142 25.146 1.00 0.00 O ATOM 1600 CB ALA B 209 39.215 36.001 25.752 1.00 0.00 C ATOM 0 H ALA B 209 38.030 37.256 27.399 1.00 0.00 H new ATOM 0 HA ALA B 209 40.741 36.875 27.061 1.00 0.00 H new ATOM 0 HB1 ALA B 209 39.916 35.591 25.025 1.00 0.00 H new ATOM 0 HB2 ALA B 209 38.948 35.229 26.474 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.317 36.343 25.238 1.00 0.00 H new ATOM 1606 N ASP B 210 39.542 39.094 25.010 1.00 0.00 N ATOM 1607 CA ASP B 210 39.905 40.104 24.063 1.00 0.00 C ATOM 1608 C ASP B 210 40.776 41.143 24.678 1.00 0.00 C ATOM 1609 O ASP B 210 41.805 41.550 24.139 1.00 0.00 O ATOM 1610 CB ASP B 210 38.610 40.715 23.501 1.00 0.00 C ATOM 1611 CG ASP B 210 38.697 40.997 22.007 1.00 0.00 C ATOM 1612 OD1 ASP B 210 39.536 41.834 21.582 1.00 0.00 O ATOM 1613 OD2 ASP B 210 37.893 40.403 21.239 1.00 0.00 O ATOM 0 H ASP B 210 38.563 39.144 25.293 1.00 0.00 H new ATOM 0 HA ASP B 210 40.486 39.660 23.255 1.00 0.00 H new ATOM 0 HB2 ASP B 210 37.779 40.035 23.691 1.00 0.00 H new ATOM 0 HB3 ASP B 210 38.390 41.642 24.030 1.00 0.00 H new ATOM 1618 N TYR B 211 40.418 41.585 25.896 1.00 0.00 N ATOM 1619 CA TYR B 211 41.173 42.468 26.731 1.00 0.00 C ATOM 1620 C TYR B 211 42.538 41.956 27.039 1.00 0.00 C ATOM 1621 O TYR B 211 43.523 42.686 26.932 1.00 0.00 O ATOM 1622 CB TYR B 211 40.313 42.731 27.979 1.00 0.00 C ATOM 1623 CG TYR B 211 41.030 43.314 29.147 1.00 0.00 C ATOM 1624 CD1 TYR B 211 41.307 44.659 29.224 1.00 0.00 C ATOM 1625 CD2 TYR B 211 41.467 42.477 30.146 1.00 0.00 C ATOM 1626 CE1 TYR B 211 42.050 45.155 30.270 1.00 0.00 C ATOM 1627 CE2 TYR B 211 42.174 42.974 31.216 1.00 0.00 C ATOM 1628 CZ TYR B 211 42.489 44.311 31.262 1.00 0.00 C ATOM 1629 OH TYR B 211 43.277 44.824 32.313 1.00 0.00 O ATOM 0 H TYR B 211 39.537 41.305 26.328 1.00 0.00 H new ATOM 0 HA TYR B 211 41.376 43.406 26.215 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.501 43.403 27.703 1.00 0.00 H new ATOM 0 HB3 TYR B 211 39.857 41.790 28.288 1.00 0.00 H new ATOM 0 HD1 TYR B 211 40.940 45.328 28.460 1.00 0.00 H new ATOM 0 HD2 TYR B 211 41.253 41.420 30.090 1.00 0.00 H new ATOM 0 HE1 TYR B 211 42.288 46.208 30.312 1.00 0.00 H new ATOM 0 HE2 TYR B 211 42.480 42.317 32.016 1.00 0.00 H new ATOM 0 HH TYR B 211 43.506 44.101 32.934 1.00 0.00 H new ATOM 1639 N LEU B 212 42.660 40.679 27.441 1.00 0.00 N ATOM 1640 CA LEU B 212 43.898 40.068 27.812 1.00 0.00 C ATOM 1641 C LEU B 212 44.858 39.848 26.692 1.00 0.00 C ATOM 1642 O LEU B 212 46.070 39.959 26.872 1.00 0.00 O ATOM 1643 CB LEU B 212 43.636 38.765 28.585 1.00 0.00 C ATOM 1644 CG LEU B 212 43.846 38.908 30.102 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.197 37.696 30.792 1.00 0.00 C ATOM 1646 CD2 LEU B 212 45.330 39.036 30.488 1.00 0.00 C ATOM 0 H LEU B 212 41.863 40.046 27.510 1.00 0.00 H new ATOM 0 HA LEU B 212 44.398 40.790 28.458 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.614 38.437 28.396 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.297 37.986 28.205 1.00 0.00 H new ATOM 0 HG LEU B 212 43.375 39.833 30.435 1.00 0.00 H new ATOM 0 HD11 LEU B 212 43.333 37.775 31.871 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.132 37.673 30.562 1.00 0.00 H new ATOM 0 HD13 LEU B 212 43.665 36.779 30.434 1.00 0.00 H new ATOM 0 HD21 LEU B 212 45.417 39.134 31.570 1.00 0.00 H new ATOM 0 HD22 LEU B 212 45.869 38.148 30.159 1.00 0.00 H new ATOM 0 HD23 LEU B 212 45.756 39.917 30.008 1.00 0.00 H new ATOM 1658 N GLU B 213 44.351 39.591 25.473 1.00 0.00 N ATOM 1659 CA GLU B 213 45.104 39.579 24.258 1.00 0.00 C ATOM 1660 C GLU B 213 45.844 40.851 24.016 1.00 0.00 C ATOM 1661 O GLU B 213 47.040 40.859 23.730 1.00 0.00 O ATOM 1662 CB GLU B 213 44.181 39.319 23.056 1.00 0.00 C ATOM 1663 CG GLU B 213 44.003 37.835 22.732 1.00 0.00 C ATOM 1664 CD GLU B 213 44.891 37.394 21.576 1.00 0.00 C ATOM 1665 OE1 GLU B 213 46.143 37.374 21.718 1.00 0.00 O ATOM 1666 OE2 GLU B 213 44.332 37.079 20.492 1.00 0.00 O ATOM 0 H GLU B 213 43.364 39.381 25.328 1.00 0.00 H new ATOM 0 HA GLU B 213 45.835 38.777 24.367 1.00 0.00 H new ATOM 0 HB2 GLU B 213 43.204 39.758 23.257 1.00 0.00 H new ATOM 0 HB3 GLU B 213 44.586 39.828 22.181 1.00 0.00 H new ATOM 0 HG2 GLU B 213 44.236 37.240 23.615 1.00 0.00 H new ATOM 0 HG3 GLU B 213 42.960 37.641 22.483 1.00 0.00 H new ATOM 1673 N ARG B 214 45.134 41.985 24.161 1.00 0.00 N ATOM 1674 CA ARG B 214 45.660 43.305 23.999 1.00 0.00 C ATOM 1675 C ARG B 214 46.695 43.662 25.010 1.00 0.00 C ATOM 1676 O ARG B 214 47.728 44.255 24.704 1.00 0.00 O ATOM 1677 CB ARG B 214 44.516 44.331 24.008 1.00 0.00 C ATOM 1678 CG ARG B 214 44.625 45.275 22.808 1.00 0.00 C ATOM 1679 CD ARG B 214 43.695 46.488 22.868 1.00 0.00 C ATOM 1680 NE ARG B 214 43.961 47.313 21.656 1.00 0.00 N ATOM 1681 CZ ARG B 214 45.127 47.978 21.408 1.00 0.00 C ATOM 1682 NH1 ARG B 214 46.089 48.181 22.356 1.00 0.00 N ATOM 1683 NH2 ARG B 214 45.305 48.483 20.153 1.00 0.00 N ATOM 0 H ARG B 214 44.143 41.980 24.403 1.00 0.00 H new ATOM 0 HA ARG B 214 46.166 43.324 23.034 1.00 0.00 H new ATOM 0 HB2 ARG B 214 43.557 43.814 23.984 1.00 0.00 H new ATOM 0 HB3 ARG B 214 44.544 44.906 24.933 1.00 0.00 H new ATOM 0 HG2 ARG B 214 45.654 45.626 22.730 1.00 0.00 H new ATOM 0 HG3 ARG B 214 44.410 44.713 21.899 1.00 0.00 H new ATOM 0 HD2 ARG B 214 42.652 46.171 22.896 1.00 0.00 H new ATOM 0 HD3 ARG B 214 43.877 47.067 23.774 1.00 0.00 H new ATOM 0 HE ARG B 214 43.218 47.386 20.961 1.00 0.00 H new ATOM 0 HH11 ARG B 214 45.954 47.828 23.303 1.00 0.00 H new ATOM 0 HH12 ARG B 214 46.943 48.685 22.116 1.00 0.00 H new ATOM 0 HH21 ARG B 214 44.582 48.356 19.445 1.00 0.00 H new ATOM 0 HH22 ARG B 214 46.161 48.987 19.923 1.00 0.00 H new ATOM 1697 N ARG B 215 46.475 43.253 26.273 1.00 0.00 N ATOM 1698 CA ARG B 215 47.379 43.380 27.373 1.00 0.00 C ATOM 1699 C ARG B 215 48.725 42.785 27.138 1.00 0.00 C ATOM 1700 O ARG B 215 49.755 43.390 27.430 1.00 0.00 O ATOM 1701 CB ARG B 215 46.713 42.745 28.605 1.00 0.00 C ATOM 1702 CG ARG B 215 47.244 43.296 29.929 1.00 0.00 C ATOM 1703 CD ARG B 215 46.681 42.581 31.160 1.00 0.00 C ATOM 1704 NE ARG B 215 47.226 43.254 32.373 1.00 0.00 N ATOM 1705 CZ ARG B 215 46.957 42.784 33.627 1.00 0.00 C ATOM 1706 NH1 ARG B 215 46.419 41.544 33.813 1.00 0.00 N ATOM 1707 NH2 ARG B 215 47.288 43.512 34.733 1.00 0.00 N ATOM 0 H ARG B 215 45.601 42.801 26.543 1.00 0.00 H new ATOM 0 HA ARG B 215 47.570 44.443 27.522 1.00 0.00 H new ATOM 0 HB2 ARG B 215 45.637 42.912 28.555 1.00 0.00 H new ATOM 0 HB3 ARG B 215 46.869 41.667 28.579 1.00 0.00 H new ATOM 0 HG2 ARG B 215 48.331 43.214 29.937 1.00 0.00 H new ATOM 0 HG3 ARG B 215 47.004 44.357 29.994 1.00 0.00 H new ATOM 0 HD2 ARG B 215 45.592 42.621 31.159 1.00 0.00 H new ATOM 0 HD3 ARG B 215 46.961 41.528 31.150 1.00 0.00 H new ATOM 0 HE ARG B 215 47.812 44.082 32.265 1.00 0.00 H new ATOM 0 HH11 ARG B 215 46.211 40.952 33.009 1.00 0.00 H new ATOM 0 HH12 ARG B 215 46.224 41.209 34.756 1.00 0.00 H new ATOM 0 HH21 ARG B 215 47.742 44.419 34.629 1.00 0.00 H new ATOM 0 HH22 ARG B 215 47.081 43.149 35.663 1.00 0.00 H new