USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 TYR OH : rot -157:sc= 1.18 USER MOD Set 1.2: B 201 ASN : amide:sc= 1.33 K(o=2.5,f=-3.4!) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0.634 K(o=0.63,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 155:sc= 0.951 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 79:sc= 1.25 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -47:sc= 1.25 USER MOD Single : A 36 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.2) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.321 K(o=0.32,f=-1.6) USER MOD Single : A 54 SER OG : rot -28:sc= 0.0151 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.27) USER MOD Single : A 69 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.4) USER MOD Single : A 74 SER OG : rot -31:sc= 0.0156 USER MOD Single : A 78 GLN : amide:sc= 0.485 X(o=0.49,f=0) USER MOD Single : B 203 GLN : amide:sc= -0.343 K(o=-0.34,f=-0.96) USER MOD Single : B 204 MET CE :methyl -171:sc= -0.198 (180deg=-0.349) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 35.360 44.026 40.319 1.00 0.00 N ATOM 53 CA VAL A 5 35.711 42.838 41.031 1.00 0.00 C ATOM 54 C VAL A 5 35.431 41.640 40.190 1.00 0.00 C ATOM 55 O VAL A 5 36.286 40.793 39.937 1.00 0.00 O ATOM 56 CB VAL A 5 34.921 42.763 42.304 1.00 0.00 C ATOM 57 CG1 VAL A 5 35.343 41.524 43.111 1.00 0.00 C ATOM 58 CG2 VAL A 5 35.156 44.053 43.108 1.00 0.00 C ATOM 0 HA VAL A 5 36.775 42.863 41.268 1.00 0.00 H new ATOM 0 HB VAL A 5 33.858 42.671 42.082 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.765 41.477 44.034 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.159 40.626 42.521 1.00 0.00 H new ATOM 0 HG13 VAL A 5 36.404 41.590 43.351 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.587 44.012 44.037 1.00 0.00 H new ATOM 0 HG22 VAL A 5 36.217 44.151 43.337 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.831 44.912 42.521 1.00 0.00 H new ATOM 68 N GLU A 6 34.191 41.554 39.676 1.00 0.00 N ATOM 69 CA GLU A 6 33.750 40.436 38.901 1.00 0.00 C ATOM 70 C GLU A 6 34.378 40.380 37.550 1.00 0.00 C ATOM 71 O GLU A 6 34.599 39.304 36.997 1.00 0.00 O ATOM 72 CB GLU A 6 32.217 40.418 38.789 1.00 0.00 C ATOM 73 CG GLU A 6 31.648 41.483 37.849 1.00 0.00 C ATOM 74 CD GLU A 6 30.137 41.653 37.905 1.00 0.00 C ATOM 75 OE1 GLU A 6 29.495 41.370 38.952 1.00 0.00 O ATOM 76 OE2 GLU A 6 29.579 42.139 36.884 1.00 0.00 O ATOM 0 H GLU A 6 33.481 42.275 39.801 1.00 0.00 H new ATOM 0 HA GLU A 6 34.076 39.543 39.434 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.900 39.435 38.441 1.00 0.00 H new ATOM 0 HB3 GLU A 6 31.789 40.558 39.782 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.115 42.440 38.084 1.00 0.00 H new ATOM 0 HG3 GLU A 6 31.932 41.232 36.827 1.00 0.00 H new ATOM 83 N PHE A 7 34.785 41.550 37.026 1.00 0.00 N ATOM 84 CA PHE A 7 35.564 41.619 35.829 1.00 0.00 C ATOM 85 C PHE A 7 36.888 40.960 36.016 1.00 0.00 C ATOM 86 O PHE A 7 37.309 40.149 35.192 1.00 0.00 O ATOM 87 CB PHE A 7 35.733 43.079 35.379 1.00 0.00 C ATOM 88 CG PHE A 7 36.247 43.217 33.988 1.00 0.00 C ATOM 89 CD1 PHE A 7 35.549 42.688 32.927 1.00 0.00 C ATOM 90 CD2 PHE A 7 37.418 43.895 33.743 1.00 0.00 C ATOM 91 CE1 PHE A 7 36.018 42.818 31.641 1.00 0.00 C ATOM 92 CE2 PHE A 7 37.890 44.040 32.460 1.00 0.00 C ATOM 93 CZ PHE A 7 37.190 43.497 31.408 1.00 0.00 C ATOM 0 H PHE A 7 34.571 42.458 37.437 1.00 0.00 H new ATOM 0 HA PHE A 7 35.033 41.081 35.044 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.772 43.588 35.455 1.00 0.00 H new ATOM 0 HB3 PHE A 7 36.416 43.584 36.062 1.00 0.00 H new ATOM 0 HD1 PHE A 7 34.622 42.164 33.106 1.00 0.00 H new ATOM 0 HD2 PHE A 7 37.973 44.318 34.567 1.00 0.00 H new ATOM 0 HE1 PHE A 7 35.468 42.388 30.817 1.00 0.00 H new ATOM 0 HE2 PHE A 7 38.808 44.579 32.279 1.00 0.00 H new ATOM 0 HZ PHE A 7 37.561 43.604 30.399 1.00 0.00 H new ATOM 103 N ASN A 8 37.565 41.203 37.153 1.00 0.00 N ATOM 104 CA ASN A 8 38.901 40.754 37.399 1.00 0.00 C ATOM 105 C ASN A 8 38.920 39.319 37.797 1.00 0.00 C ATOM 106 O ASN A 8 39.896 38.618 37.536 1.00 0.00 O ATOM 107 CB ASN A 8 39.598 41.594 38.482 1.00 0.00 C ATOM 108 CG ASN A 8 40.312 42.780 37.852 1.00 0.00 C ATOM 109 OD1 ASN A 8 41.427 42.651 37.348 1.00 0.00 O ATOM 110 ND2 ASN A 8 39.684 43.985 37.899 1.00 0.00 N ATOM 0 H ASN A 8 37.168 41.732 37.930 1.00 0.00 H new ATOM 0 HA ASN A 8 39.448 40.875 36.464 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.864 41.946 39.207 1.00 0.00 H new ATOM 0 HB3 ASN A 8 40.313 40.977 39.026 1.00 0.00 H new ATOM 0 HD21 ASN A 8 40.137 44.812 37.510 1.00 0.00 H new ATOM 0 HD22 ASN A 8 38.760 44.062 38.323 1.00 0.00 H new ATOM 117 N ASN A 9 37.830 38.792 38.381 1.00 0.00 N ATOM 118 CA ASN A 9 37.633 37.386 38.562 1.00 0.00 C ATOM 119 C ASN A 9 37.500 36.658 37.269 1.00 0.00 C ATOM 120 O ASN A 9 37.968 35.526 37.144 1.00 0.00 O ATOM 121 CB ASN A 9 36.414 37.082 39.449 1.00 0.00 C ATOM 122 CG ASN A 9 36.810 37.159 40.917 1.00 0.00 C ATOM 123 OD1 ASN A 9 37.230 36.160 41.499 1.00 0.00 O ATOM 124 ND2 ASN A 9 36.684 38.360 41.543 1.00 0.00 N ATOM 0 H ASN A 9 37.062 39.360 38.738 1.00 0.00 H new ATOM 0 HA ASN A 9 38.531 37.029 39.066 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.615 37.794 39.241 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.025 36.090 39.220 1.00 0.00 H new ATOM 0 HD21 ASN A 9 36.941 38.452 42.526 1.00 0.00 H new ATOM 0 HD22 ASN A 9 36.332 39.168 41.030 1.00 0.00 H new ATOM 131 N ALA A 10 36.928 37.293 36.231 1.00 0.00 N ATOM 132 CA ALA A 10 36.970 36.778 34.897 1.00 0.00 C ATOM 133 C ALA A 10 38.344 36.827 34.324 1.00 0.00 C ATOM 134 O ALA A 10 38.840 35.808 33.843 1.00 0.00 O ATOM 135 CB ALA A 10 35.942 37.465 33.983 1.00 0.00 C ATOM 0 H ALA A 10 36.428 38.178 36.318 1.00 0.00 H new ATOM 0 HA ALA A 10 36.689 35.727 34.955 1.00 0.00 H new ATOM 0 HB1 ALA A 10 36.008 37.044 32.980 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.939 37.305 34.378 1.00 0.00 H new ATOM 0 HB3 ALA A 10 36.149 38.534 33.942 1.00 0.00 H new ATOM 141 N ILE A 11 39.057 37.964 34.404 1.00 0.00 N ATOM 142 CA ILE A 11 40.388 38.138 33.909 1.00 0.00 C ATOM 143 C ILE A 11 41.353 37.141 34.453 1.00 0.00 C ATOM 144 O ILE A 11 42.100 36.498 33.717 1.00 0.00 O ATOM 145 CB ILE A 11 40.978 39.487 34.197 1.00 0.00 C ATOM 146 CG1 ILE A 11 40.089 40.674 33.787 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.304 39.677 33.441 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.377 40.515 32.445 1.00 0.00 C ATOM 0 H ILE A 11 38.684 38.809 34.838 1.00 0.00 H new ATOM 0 HA ILE A 11 40.257 38.009 32.835 1.00 0.00 H new ATOM 0 HB ILE A 11 41.102 39.492 35.280 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.339 40.832 34.562 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.704 41.573 33.751 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.713 40.662 33.665 1.00 0.00 H new ATOM 0 HG22 ILE A 11 43.013 38.910 33.752 1.00 0.00 H new ATOM 0 HG23 ILE A 11 42.127 39.593 32.369 1.00 0.00 H new ATOM 0 HD11 ILE A 11 38.776 41.402 32.245 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.116 40.391 31.653 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.730 39.638 32.478 1.00 0.00 H new ATOM 160 N SER A 12 41.317 36.955 35.785 1.00 0.00 N ATOM 161 CA SER A 12 42.069 36.002 36.540 1.00 0.00 C ATOM 162 C SER A 12 41.931 34.607 36.036 1.00 0.00 C ATOM 163 O SER A 12 42.908 33.864 35.956 1.00 0.00 O ATOM 164 CB SER A 12 41.684 36.048 38.029 1.00 0.00 C ATOM 165 OG SER A 12 42.464 35.192 38.850 1.00 0.00 O ATOM 0 H SER A 12 40.711 37.519 36.381 1.00 0.00 H new ATOM 0 HA SER A 12 43.113 36.290 36.418 1.00 0.00 H new ATOM 0 HB2 SER A 12 41.785 37.072 38.389 1.00 0.00 H new ATOM 0 HB3 SER A 12 40.633 35.776 38.131 1.00 0.00 H new ATOM 0 HG SER A 12 42.168 35.272 39.781 1.00 0.00 H new ATOM 171 N TYR A 13 40.709 34.216 35.634 1.00 0.00 N ATOM 172 CA TYR A 13 40.392 32.944 35.061 1.00 0.00 C ATOM 173 C TYR A 13 41.007 32.770 33.715 1.00 0.00 C ATOM 174 O TYR A 13 41.754 31.820 33.491 1.00 0.00 O ATOM 175 CB TYR A 13 38.864 32.763 35.069 1.00 0.00 C ATOM 176 CG TYR A 13 38.334 31.452 34.601 1.00 0.00 C ATOM 177 CD1 TYR A 13 39.065 30.288 34.628 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.067 31.425 34.070 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.567 29.137 34.064 1.00 0.00 C ATOM 180 CE2 TYR A 13 36.571 30.285 33.481 1.00 0.00 C ATOM 181 CZ TYR A 13 37.334 29.141 33.455 1.00 0.00 C ATOM 182 OH TYR A 13 36.915 27.996 32.746 1.00 0.00 O ATOM 0 H TYR A 13 39.894 34.824 35.714 1.00 0.00 H new ATOM 0 HA TYR A 13 40.828 32.149 35.666 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.509 32.928 36.086 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.427 33.546 34.448 1.00 0.00 H new ATOM 0 HD1 TYR A 13 40.038 30.277 35.096 1.00 0.00 H new ATOM 0 HD2 TYR A 13 36.452 32.311 34.116 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.146 28.226 34.099 1.00 0.00 H new ATOM 0 HE2 TYR A 13 35.585 30.288 33.040 1.00 0.00 H new ATOM 0 HH TYR A 13 35.936 27.968 32.719 1.00 0.00 H new ATOM 192 N VAL A 14 40.771 33.692 32.764 1.00 0.00 N ATOM 193 CA VAL A 14 41.349 33.692 31.457 1.00 0.00 C ATOM 194 C VAL A 14 42.839 33.695 31.477 1.00 0.00 C ATOM 195 O VAL A 14 43.496 32.921 30.783 1.00 0.00 O ATOM 196 CB VAL A 14 40.887 34.850 30.621 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.217 34.577 29.143 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.357 35.002 30.673 1.00 0.00 C ATOM 0 H VAL A 14 40.142 34.480 32.917 1.00 0.00 H new ATOM 0 HA VAL A 14 41.002 32.760 31.010 1.00 0.00 H new ATOM 0 HB VAL A 14 41.382 35.741 31.008 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.882 35.417 28.534 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.294 34.452 29.028 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.709 33.669 28.819 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.054 35.849 30.058 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.888 34.093 30.295 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.043 35.171 31.703 1.00 0.00 H new ATOM 208 N ASN A 15 43.453 34.544 32.321 1.00 0.00 N ATOM 209 CA ASN A 15 44.862 34.558 32.556 1.00 0.00 C ATOM 210 C ASN A 15 45.446 33.277 33.044 1.00 0.00 C ATOM 211 O ASN A 15 46.528 32.888 32.608 1.00 0.00 O ATOM 212 CB ASN A 15 45.226 35.686 33.535 1.00 0.00 C ATOM 213 CG ASN A 15 46.700 36.068 33.562 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.366 35.996 34.593 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.234 36.534 32.402 1.00 0.00 N ATOM 0 H ASN A 15 42.948 35.247 32.860 1.00 0.00 H new ATOM 0 HA ASN A 15 45.302 34.725 31.573 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.642 36.570 33.279 1.00 0.00 H new ATOM 0 HB3 ASN A 15 44.926 35.385 34.539 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.209 36.834 32.373 1.00 0.00 H new ATOM 0 HD22 ASN A 15 46.660 36.584 31.560 1.00 0.00 H new ATOM 222 N LYS A 16 44.772 32.542 33.946 1.00 0.00 N ATOM 223 CA LYS A 16 45.210 31.269 34.431 1.00 0.00 C ATOM 224 C LYS A 16 45.249 30.212 33.381 1.00 0.00 C ATOM 225 O LYS A 16 46.205 29.445 33.276 1.00 0.00 O ATOM 226 CB LYS A 16 44.334 30.806 35.607 1.00 0.00 C ATOM 227 CG LYS A 16 45.156 30.258 36.776 1.00 0.00 C ATOM 228 CD LYS A 16 44.242 29.732 37.884 1.00 0.00 C ATOM 229 CE LYS A 16 44.955 28.969 39.001 1.00 0.00 C ATOM 230 NZ LYS A 16 45.664 29.878 39.930 1.00 0.00 N ATOM 0 H LYS A 16 43.888 32.846 34.354 1.00 0.00 H new ATOM 0 HA LYS A 16 46.236 31.415 34.768 1.00 0.00 H new ATOM 0 HB2 LYS A 16 43.728 31.643 35.955 1.00 0.00 H new ATOM 0 HB3 LYS A 16 43.645 30.036 35.260 1.00 0.00 H new ATOM 0 HG2 LYS A 16 45.807 29.457 36.425 1.00 0.00 H new ATOM 0 HG3 LYS A 16 45.801 31.042 37.172 1.00 0.00 H new ATOM 0 HD2 LYS A 16 43.707 30.574 38.323 1.00 0.00 H new ATOM 0 HD3 LYS A 16 43.494 29.077 37.437 1.00 0.00 H new ATOM 0 HE2 LYS A 16 44.228 28.378 39.557 1.00 0.00 H new ATOM 0 HE3 LYS A 16 45.668 28.269 38.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 46.133 29.320 40.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 46.376 30.424 39.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 44.981 30.529 40.367 1.00 0.00 H new ATOM 244 N ILE A 17 44.227 30.186 32.507 1.00 0.00 N ATOM 245 CA ILE A 17 44.121 29.374 31.336 1.00 0.00 C ATOM 246 C ILE A 17 45.241 29.661 30.396 1.00 0.00 C ATOM 247 O ILE A 17 45.972 28.763 29.981 1.00 0.00 O ATOM 248 CB ILE A 17 42.797 29.635 30.679 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.655 29.105 31.563 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.681 29.060 29.257 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.285 29.554 31.054 1.00 0.00 C ATOM 0 H ILE A 17 43.409 30.783 32.632 1.00 0.00 H new ATOM 0 HA ILE A 17 44.184 28.323 31.616 1.00 0.00 H new ATOM 0 HB ILE A 17 42.719 30.717 30.572 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.693 28.016 31.591 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.795 29.455 32.586 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.696 29.290 28.851 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.448 29.503 28.622 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.816 27.979 29.290 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.507 29.158 31.707 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.237 30.643 31.051 1.00 0.00 H new ATOM 0 HD13 ILE A 17 40.133 29.181 30.041 1.00 0.00 H new ATOM 263 N LYS A 18 45.441 30.947 30.059 1.00 0.00 N ATOM 264 CA LYS A 18 46.451 31.404 29.156 1.00 0.00 C ATOM 265 C LYS A 18 47.832 31.081 29.612 1.00 0.00 C ATOM 266 O LYS A 18 48.691 30.717 28.810 1.00 0.00 O ATOM 267 CB LYS A 18 46.206 32.880 28.794 1.00 0.00 C ATOM 268 CG LYS A 18 47.125 33.971 29.346 1.00 0.00 C ATOM 269 CD LYS A 18 48.252 34.362 28.389 1.00 0.00 C ATOM 270 CE LYS A 18 47.772 35.170 27.183 1.00 0.00 C ATOM 271 NZ LYS A 18 48.836 35.274 26.160 1.00 0.00 N ATOM 0 H LYS A 18 44.871 31.705 30.434 1.00 0.00 H new ATOM 0 HA LYS A 18 46.370 30.844 28.224 1.00 0.00 H new ATOM 0 HB2 LYS A 18 46.233 32.955 27.707 1.00 0.00 H new ATOM 0 HB3 LYS A 18 45.191 33.125 29.106 1.00 0.00 H new ATOM 0 HG2 LYS A 18 46.530 34.855 29.574 1.00 0.00 H new ATOM 0 HG3 LYS A 18 47.559 33.628 30.285 1.00 0.00 H new ATOM 0 HD2 LYS A 18 48.996 34.944 28.934 1.00 0.00 H new ATOM 0 HD3 LYS A 18 48.749 33.458 28.037 1.00 0.00 H new ATOM 0 HE2 LYS A 18 46.891 34.696 26.750 1.00 0.00 H new ATOM 0 HE3 LYS A 18 47.472 36.167 27.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 48.487 35.827 25.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 49.667 35.747 26.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 49.103 34.322 25.839 1.00 0.00 H new ATOM 285 N THR A 19 48.083 31.130 30.932 1.00 0.00 N ATOM 286 CA THR A 19 49.335 30.817 31.547 1.00 0.00 C ATOM 287 C THR A 19 49.651 29.362 31.622 1.00 0.00 C ATOM 288 O THR A 19 50.818 28.996 31.495 1.00 0.00 O ATOM 289 CB THR A 19 49.404 31.423 32.918 1.00 0.00 C ATOM 290 OG1 THR A 19 49.227 32.830 32.848 1.00 0.00 O ATOM 291 CG2 THR A 19 50.777 31.225 33.580 1.00 0.00 C ATOM 0 H THR A 19 47.371 31.404 31.609 1.00 0.00 H new ATOM 0 HA THR A 19 50.092 31.250 30.893 1.00 0.00 H new ATOM 0 HB THR A 19 48.622 30.927 33.494 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.273 33.035 32.754 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.773 31.682 34.570 1.00 0.00 H new ATOM 0 HG22 THR A 19 50.986 30.159 33.673 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.547 31.693 32.967 1.00 0.00 H new ATOM 299 N ARG A 20 48.698 28.436 31.826 1.00 0.00 N ATOM 300 CA ARG A 20 49.042 27.048 31.839 1.00 0.00 C ATOM 301 C ARG A 20 49.000 26.385 30.506 1.00 0.00 C ATOM 302 O ARG A 20 49.761 25.459 30.229 1.00 0.00 O ATOM 303 CB ARG A 20 48.247 26.236 32.877 1.00 0.00 C ATOM 304 CG ARG A 20 46.797 25.870 32.551 1.00 0.00 C ATOM 305 CD ARG A 20 46.204 24.885 33.560 1.00 0.00 C ATOM 306 NE ARG A 20 46.093 25.609 34.857 1.00 0.00 N ATOM 307 CZ ARG A 20 45.295 25.213 35.892 1.00 0.00 C ATOM 308 NH1 ARG A 20 44.704 23.982 35.938 1.00 0.00 N ATOM 309 NH2 ARG A 20 45.159 26.043 36.967 1.00 0.00 N ATOM 0 H ARG A 20 47.710 28.640 31.979 1.00 0.00 H new ATOM 0 HA ARG A 20 50.088 27.051 32.145 1.00 0.00 H new ATOM 0 HB2 ARG A 20 48.791 25.310 33.063 1.00 0.00 H new ATOM 0 HB3 ARG A 20 48.247 26.798 33.811 1.00 0.00 H new ATOM 0 HG2 ARG A 20 46.192 26.776 32.533 1.00 0.00 H new ATOM 0 HG3 ARG A 20 46.750 25.435 31.552 1.00 0.00 H new ATOM 0 HD2 ARG A 20 45.227 24.534 33.229 1.00 0.00 H new ATOM 0 HD3 ARG A 20 46.841 24.006 33.662 1.00 0.00 H new ATOM 0 HE ARG A 20 46.649 26.455 34.980 1.00 0.00 H new ATOM 0 HH11 ARG A 20 44.852 23.317 35.179 1.00 0.00 H new ATOM 0 HH12 ARG A 20 44.115 23.728 36.731 1.00 0.00 H new ATOM 0 HH21 ARG A 20 45.648 26.938 36.985 1.00 0.00 H new ATOM 0 HH22 ARG A 20 44.568 25.768 37.752 1.00 0.00 H new ATOM 323 N PHE A 21 48.134 26.845 29.586 1.00 0.00 N ATOM 324 CA PHE A 21 48.096 26.334 28.251 1.00 0.00 C ATOM 325 C PHE A 21 49.038 27.051 27.347 1.00 0.00 C ATOM 326 O PHE A 21 48.689 27.472 26.245 1.00 0.00 O ATOM 327 CB PHE A 21 46.666 26.316 27.683 1.00 0.00 C ATOM 328 CG PHE A 21 45.792 25.403 28.471 1.00 0.00 C ATOM 329 CD1 PHE A 21 46.086 24.067 28.607 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.645 25.888 29.053 1.00 0.00 C ATOM 331 CE1 PHE A 21 45.262 23.235 29.328 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.810 25.068 29.774 1.00 0.00 C ATOM 333 CZ PHE A 21 44.123 23.736 29.913 1.00 0.00 C ATOM 0 H PHE A 21 47.452 27.580 29.770 1.00 0.00 H new ATOM 0 HA PHE A 21 48.434 25.299 28.304 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.252 27.324 27.697 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.688 25.995 26.641 1.00 0.00 H new ATOM 0 HD1 PHE A 21 46.975 23.666 28.142 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.395 26.933 28.942 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.509 22.189 29.435 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.915 25.467 30.228 1.00 0.00 H new ATOM 0 HZ PHE A 21 43.475 23.085 30.481 1.00 0.00 H new ATOM 343 N LEU A 22 50.316 27.180 27.747 1.00 0.00 N ATOM 344 CA LEU A 22 51.381 27.687 26.939 1.00 0.00 C ATOM 345 C LEU A 22 51.977 26.630 26.073 1.00 0.00 C ATOM 346 O LEU A 22 52.397 26.877 24.943 1.00 0.00 O ATOM 347 CB LEU A 22 52.487 28.346 27.779 1.00 0.00 C ATOM 348 CG LEU A 22 51.970 29.601 28.502 1.00 0.00 C ATOM 349 CD1 LEU A 22 53.059 30.067 29.482 1.00 0.00 C ATOM 350 CD2 LEU A 22 51.556 30.750 27.566 1.00 0.00 C ATOM 0 H LEU A 22 50.622 26.916 28.684 1.00 0.00 H new ATOM 0 HA LEU A 22 50.932 28.449 26.302 1.00 0.00 H new ATOM 0 HB2 LEU A 22 52.864 27.632 28.511 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.324 28.614 27.135 1.00 0.00 H new ATOM 0 HG LEU A 22 51.053 29.325 29.023 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.717 30.958 30.009 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.263 29.275 30.202 1.00 0.00 H new ATOM 0 HD13 LEU A 22 53.970 30.299 28.930 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.204 31.594 28.159 1.00 0.00 H new ATOM 0 HD22 LEU A 22 52.413 31.059 26.968 1.00 0.00 H new ATOM 0 HD23 LEU A 22 50.757 30.412 26.907 1.00 0.00 H new ATOM 362 N ASP A 23 51.991 25.378 26.564 1.00 0.00 N ATOM 363 CA ASP A 23 52.363 24.247 25.772 1.00 0.00 C ATOM 364 C ASP A 23 51.307 23.885 24.785 1.00 0.00 C ATOM 365 O ASP A 23 51.551 23.201 23.792 1.00 0.00 O ATOM 366 CB ASP A 23 52.648 23.024 26.660 1.00 0.00 C ATOM 367 CG ASP A 23 53.761 23.322 27.655 1.00 0.00 C ATOM 368 OD1 ASP A 23 54.959 23.139 27.311 1.00 0.00 O ATOM 369 OD2 ASP A 23 53.451 23.704 28.815 1.00 0.00 O ATOM 0 H ASP A 23 51.740 25.147 27.525 1.00 0.00 H new ATOM 0 HA ASP A 23 53.266 24.532 25.232 1.00 0.00 H new ATOM 0 HB2 ASP A 23 51.742 22.740 27.196 1.00 0.00 H new ATOM 0 HB3 ASP A 23 52.929 22.175 26.037 1.00 0.00 H new ATOM 374 N HIS A 24 50.070 24.364 25.003 1.00 0.00 N ATOM 375 CA HIS A 24 48.948 24.096 24.158 1.00 0.00 C ATOM 376 C HIS A 24 48.269 25.367 23.778 1.00 0.00 C ATOM 377 O HIS A 24 47.126 25.563 24.188 1.00 0.00 O ATOM 378 CB HIS A 24 47.962 23.145 24.859 1.00 0.00 C ATOM 379 CG HIS A 24 48.543 21.832 25.289 1.00 0.00 C ATOM 380 ND1 HIS A 24 49.071 21.619 26.535 1.00 0.00 N ATOM 381 CD2 HIS A 24 48.603 20.640 24.634 1.00 0.00 C ATOM 382 CE1 HIS A 24 49.441 20.357 26.641 1.00 0.00 C ATOM 383 NE2 HIS A 24 49.163 19.743 25.505 1.00 0.00 N ATOM 0 H HIS A 24 49.842 24.961 25.798 1.00 0.00 H new ATOM 0 HA HIS A 24 49.306 23.611 23.250 1.00 0.00 H new ATOM 0 HB2 HIS A 24 47.556 23.649 25.736 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.126 22.952 24.186 1.00 0.00 H new ATOM 0 HD2 HIS A 24 48.274 20.441 23.625 1.00 0.00 H new ATOM 0 HE1 HIS A 24 49.894 19.903 27.510 1.00 0.00 H new ATOM 0 HE2 HIS A 24 49.338 18.758 25.308 1.00 0.00 H new ATOM 392 N PRO A 25 48.823 26.271 23.026 1.00 0.00 N ATOM 393 CA PRO A 25 48.265 27.576 22.825 1.00 0.00 C ATOM 394 C PRO A 25 47.101 27.585 21.893 1.00 0.00 C ATOM 395 O PRO A 25 46.514 28.638 21.654 1.00 0.00 O ATOM 396 CB PRO A 25 49.427 28.378 22.244 1.00 0.00 C ATOM 397 CG PRO A 25 50.205 27.339 21.421 1.00 0.00 C ATOM 398 CD PRO A 25 50.074 26.089 22.306 1.00 0.00 C ATOM 0 HA PRO A 25 47.868 27.983 23.755 1.00 0.00 H new ATOM 0 HB2 PRO A 25 49.075 29.201 21.622 1.00 0.00 H new ATOM 0 HB3 PRO A 25 50.046 28.814 23.028 1.00 0.00 H new ATOM 0 HG2 PRO A 25 49.771 27.189 20.433 1.00 0.00 H new ATOM 0 HG3 PRO A 25 51.245 27.629 21.272 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.056 25.180 21.705 1.00 0.00 H new ATOM 0 HD3 PRO A 25 50.916 26.001 22.993 1.00 0.00 H new ATOM 406 N GLU A 26 46.710 26.417 21.353 1.00 0.00 N ATOM 407 CA GLU A 26 45.563 26.234 20.519 1.00 0.00 C ATOM 408 C GLU A 26 44.319 26.136 21.332 1.00 0.00 C ATOM 409 O GLU A 26 43.225 26.424 20.851 1.00 0.00 O ATOM 410 CB GLU A 26 45.741 25.014 19.599 1.00 0.00 C ATOM 411 CG GLU A 26 45.998 23.693 20.325 1.00 0.00 C ATOM 412 CD GLU A 26 46.345 22.575 19.351 1.00 0.00 C ATOM 413 OE1 GLU A 26 47.367 22.700 18.625 1.00 0.00 O ATOM 414 OE2 GLU A 26 45.612 21.550 19.334 1.00 0.00 O ATOM 0 H GLU A 26 47.225 25.550 21.508 1.00 0.00 H new ATOM 0 HA GLU A 26 45.464 27.112 19.881 1.00 0.00 H new ATOM 0 HB2 GLU A 26 44.847 24.907 18.985 1.00 0.00 H new ATOM 0 HB3 GLU A 26 46.572 25.207 18.921 1.00 0.00 H new ATOM 0 HG2 GLU A 26 46.813 23.821 21.037 1.00 0.00 H new ATOM 0 HG3 GLU A 26 45.114 23.415 20.899 1.00 0.00 H new ATOM 421 N ILE A 27 44.422 25.806 22.633 1.00 0.00 N ATOM 422 CA ILE A 27 43.308 25.793 23.528 1.00 0.00 C ATOM 423 C ILE A 27 42.848 27.193 23.749 1.00 0.00 C ATOM 424 O ILE A 27 41.650 27.470 23.789 1.00 0.00 O ATOM 425 CB ILE A 27 43.527 25.153 24.867 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.443 23.921 24.955 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.142 24.719 25.376 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.476 22.989 23.743 1.00 0.00 C ATOM 0 H ILE A 27 45.303 25.541 23.073 1.00 0.00 H new ATOM 0 HA ILE A 27 42.568 25.167 23.030 1.00 0.00 H new ATOM 0 HB ILE A 27 44.048 25.912 25.450 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.459 24.268 25.143 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.140 23.336 25.823 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.245 24.245 26.352 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.496 25.593 25.463 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.702 24.011 24.674 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.160 22.163 23.938 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.476 22.596 23.559 1.00 0.00 H new ATOM 0 HD13 ILE A 27 44.815 23.543 22.867 1.00 0.00 H new ATOM 440 N TYR A 28 43.783 28.157 23.818 1.00 0.00 N ATOM 441 CA TYR A 28 43.500 29.552 23.964 1.00 0.00 C ATOM 442 C TYR A 28 42.730 30.130 22.826 1.00 0.00 C ATOM 443 O TYR A 28 42.045 31.141 22.979 1.00 0.00 O ATOM 444 CB TYR A 28 44.796 30.336 24.233 1.00 0.00 C ATOM 445 CG TYR A 28 44.499 31.689 24.783 1.00 0.00 C ATOM 446 CD1 TYR A 28 43.974 31.807 26.048 1.00 0.00 C ATOM 447 CD2 TYR A 28 44.654 32.817 24.010 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.575 33.034 26.524 1.00 0.00 C ATOM 449 CE2 TYR A 28 44.248 34.044 24.478 1.00 0.00 C ATOM 450 CZ TYR A 28 43.712 34.155 25.739 1.00 0.00 C ATOM 451 OH TYR A 28 43.285 35.407 26.231 1.00 0.00 O ATOM 0 H TYR A 28 44.782 27.955 23.770 1.00 0.00 H new ATOM 0 HA TYR A 28 42.844 29.649 24.829 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.420 29.783 24.935 1.00 0.00 H new ATOM 0 HB3 TYR A 28 45.365 30.433 23.308 1.00 0.00 H new ATOM 0 HD1 TYR A 28 43.874 30.931 26.672 1.00 0.00 H new ATOM 0 HD2 TYR A 28 45.098 32.738 23.029 1.00 0.00 H new ATOM 0 HE1 TYR A 28 43.154 33.117 27.515 1.00 0.00 H new ATOM 0 HE2 TYR A 28 44.350 34.920 23.855 1.00 0.00 H new ATOM 0 HH TYR A 28 43.452 36.098 25.556 1.00 0.00 H new ATOM 461 N ARG A 29 42.752 29.511 21.633 1.00 0.00 N ATOM 462 CA ARG A 29 41.788 29.795 20.616 1.00 0.00 C ATOM 463 C ARG A 29 40.505 29.073 20.847 1.00 0.00 C ATOM 464 O ARG A 29 39.467 29.703 21.045 1.00 0.00 O ATOM 465 CB ARG A 29 42.337 29.466 19.218 1.00 0.00 C ATOM 466 CG ARG A 29 43.312 30.516 18.681 1.00 0.00 C ATOM 467 CD ARG A 29 42.628 31.773 18.138 1.00 0.00 C ATOM 468 NE ARG A 29 43.690 32.763 17.799 1.00 0.00 N ATOM 469 CZ ARG A 29 44.251 32.930 16.566 1.00 0.00 C ATOM 470 NH1 ARG A 29 43.951 32.137 15.497 1.00 0.00 N ATOM 471 NH2 ARG A 29 45.170 33.925 16.392 1.00 0.00 N ATOM 0 H ARG A 29 43.443 28.808 21.371 1.00 0.00 H new ATOM 0 HA ARG A 29 41.585 30.865 20.667 1.00 0.00 H new ATOM 0 HB2 ARG A 29 42.839 28.499 19.252 1.00 0.00 H new ATOM 0 HB3 ARG A 29 41.503 29.367 18.523 1.00 0.00 H new ATOM 0 HG2 ARG A 29 43.998 30.802 19.478 1.00 0.00 H new ATOM 0 HG3 ARG A 29 43.913 30.069 17.889 1.00 0.00 H new ATOM 0 HD2 ARG A 29 42.034 31.533 17.256 1.00 0.00 H new ATOM 0 HD3 ARG A 29 41.944 32.186 18.880 1.00 0.00 H new ATOM 0 HE ARG A 29 44.025 33.365 18.551 1.00 0.00 H new ATOM 0 HH11 ARG A 29 43.279 31.377 15.599 1.00 0.00 H new ATOM 0 HH12 ARG A 29 44.399 32.305 14.596 1.00 0.00 H new ATOM 0 HH21 ARG A 29 45.425 34.526 17.175 1.00 0.00 H new ATOM 0 HH22 ARG A 29 45.601 34.067 15.479 1.00 0.00 H new ATOM 485 N SER A 30 40.492 27.729 20.857 1.00 0.00 N ATOM 486 CA SER A 30 39.272 26.994 20.719 1.00 0.00 C ATOM 487 C SER A 30 38.397 26.943 21.923 1.00 0.00 C ATOM 488 O SER A 30 37.194 26.720 21.790 1.00 0.00 O ATOM 489 CB SER A 30 39.455 25.587 20.128 1.00 0.00 C ATOM 490 OG SER A 30 39.975 25.684 18.809 1.00 0.00 O ATOM 0 H SER A 30 41.326 27.150 20.961 1.00 0.00 H new ATOM 0 HA SER A 30 38.735 27.603 19.992 1.00 0.00 H new ATOM 0 HB2 SER A 30 40.131 25.005 20.754 1.00 0.00 H new ATOM 0 HB3 SER A 30 38.500 25.061 20.115 1.00 0.00 H new ATOM 0 HG SER A 30 39.470 26.358 18.307 1.00 0.00 H new ATOM 496 N PHE A 31 38.933 27.212 23.127 1.00 0.00 N ATOM 497 CA PHE A 31 38.201 27.536 24.311 1.00 0.00 C ATOM 498 C PHE A 31 37.159 28.573 24.071 1.00 0.00 C ATOM 499 O PHE A 31 35.972 28.394 24.339 1.00 0.00 O ATOM 500 CB PHE A 31 39.212 28.014 25.367 1.00 0.00 C ATOM 501 CG PHE A 31 38.642 28.536 26.641 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.765 27.764 27.366 1.00 0.00 C ATOM 503 CD2 PHE A 31 38.961 29.794 27.095 1.00 0.00 C ATOM 504 CE1 PHE A 31 37.160 28.265 28.495 1.00 0.00 C ATOM 505 CE2 PHE A 31 38.353 30.306 28.217 1.00 0.00 C ATOM 506 CZ PHE A 31 37.443 29.545 28.913 1.00 0.00 C ATOM 0 H PHE A 31 39.941 27.202 23.282 1.00 0.00 H new ATOM 0 HA PHE A 31 37.667 26.650 24.655 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.876 27.183 25.605 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.827 28.796 24.922 1.00 0.00 H new ATOM 0 HD1 PHE A 31 37.549 26.755 27.046 1.00 0.00 H new ATOM 0 HD2 PHE A 31 39.695 30.384 26.566 1.00 0.00 H new ATOM 0 HE1 PHE A 31 36.464 27.655 29.052 1.00 0.00 H new ATOM 0 HE2 PHE A 31 38.590 31.305 28.552 1.00 0.00 H new ATOM 0 HZ PHE A 31 36.952 29.951 29.785 1.00 0.00 H new ATOM 516 N LEU A 32 37.572 29.718 23.499 1.00 0.00 N ATOM 517 CA LEU A 32 36.749 30.867 23.284 1.00 0.00 C ATOM 518 C LEU A 32 35.814 30.694 22.137 1.00 0.00 C ATOM 519 O LEU A 32 34.676 31.161 22.160 1.00 0.00 O ATOM 520 CB LEU A 32 37.589 32.100 22.907 1.00 0.00 C ATOM 521 CG LEU A 32 38.904 32.258 23.688 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.787 33.225 22.881 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.667 32.720 25.136 1.00 0.00 C ATOM 0 H LEU A 32 38.529 29.848 23.170 1.00 0.00 H new ATOM 0 HA LEU A 32 36.212 30.996 24.224 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.820 32.051 21.843 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.984 32.993 23.061 1.00 0.00 H new ATOM 0 HG LEU A 32 39.410 31.298 23.794 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.736 33.369 23.398 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.973 32.808 21.891 1.00 0.00 H new ATOM 0 HD13 LEU A 32 39.279 34.184 22.781 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.624 32.818 25.648 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.158 33.684 25.132 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.051 31.986 25.656 1.00 0.00 H new ATOM 535 N GLU A 33 36.283 30.021 21.071 1.00 0.00 N ATOM 536 CA GLU A 33 35.477 29.606 19.965 1.00 0.00 C ATOM 537 C GLU A 33 34.223 28.895 20.342 1.00 0.00 C ATOM 538 O GLU A 33 33.151 29.178 19.808 1.00 0.00 O ATOM 539 CB GLU A 33 36.258 28.781 18.930 1.00 0.00 C ATOM 540 CG GLU A 33 37.429 29.548 18.311 1.00 0.00 C ATOM 541 CD GLU A 33 38.176 28.785 17.226 1.00 0.00 C ATOM 542 OE1 GLU A 33 38.627 27.629 17.440 1.00 0.00 O ATOM 543 OE2 GLU A 33 38.335 29.365 16.119 1.00 0.00 O ATOM 0 H GLU A 33 37.263 29.755 20.976 1.00 0.00 H new ATOM 0 HA GLU A 33 35.177 30.548 19.506 1.00 0.00 H new ATOM 0 HB2 GLU A 33 36.635 27.876 19.406 1.00 0.00 H new ATOM 0 HB3 GLU A 33 35.579 28.466 18.138 1.00 0.00 H new ATOM 0 HG2 GLU A 33 37.055 30.481 17.890 1.00 0.00 H new ATOM 0 HG3 GLU A 33 38.132 29.814 19.101 1.00 0.00 H new ATOM 550 N ILE A 34 34.266 27.998 21.343 1.00 0.00 N ATOM 551 CA ILE A 34 33.133 27.371 21.950 1.00 0.00 C ATOM 552 C ILE A 34 32.269 28.347 22.671 1.00 0.00 C ATOM 553 O ILE A 34 31.053 28.366 22.490 1.00 0.00 O ATOM 554 CB ILE A 34 33.602 26.254 22.837 1.00 0.00 C ATOM 555 CG1 ILE A 34 34.251 25.138 22.002 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.456 25.689 23.694 1.00 0.00 C ATOM 557 CD1 ILE A 34 35.177 24.246 22.828 1.00 0.00 C ATOM 0 H ILE A 34 35.148 27.692 21.754 1.00 0.00 H new ATOM 0 HA ILE A 34 32.502 26.950 21.167 1.00 0.00 H new ATOM 0 HB ILE A 34 34.349 26.665 23.516 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.470 24.526 21.552 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.817 25.584 21.184 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.835 24.883 24.322 1.00 0.00 H new ATOM 0 HG22 ILE A 34 32.049 26.480 24.324 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.671 25.304 23.043 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.607 23.476 22.187 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.977 24.850 23.257 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.608 23.775 23.630 1.00 0.00 H new ATOM 569 N LEU A 35 32.815 29.249 23.507 1.00 0.00 N ATOM 570 CA LEU A 35 32.044 30.245 24.185 1.00 0.00 C ATOM 571 C LEU A 35 31.379 31.240 23.297 1.00 0.00 C ATOM 572 O LEU A 35 30.327 31.793 23.611 1.00 0.00 O ATOM 573 CB LEU A 35 32.935 31.036 25.158 1.00 0.00 C ATOM 574 CG LEU A 35 33.869 30.233 26.079 1.00 0.00 C ATOM 575 CD1 LEU A 35 34.058 31.040 27.375 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.415 28.857 26.593 1.00 0.00 C ATOM 0 H LEU A 35 33.813 29.287 23.716 1.00 0.00 H new ATOM 0 HA LEU A 35 31.263 29.680 24.694 1.00 0.00 H new ATOM 0 HB2 LEU A 35 33.548 31.721 24.572 1.00 0.00 H new ATOM 0 HB3 LEU A 35 32.287 31.647 25.786 1.00 0.00 H new ATOM 0 HG LEU A 35 34.734 30.065 25.438 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.717 30.495 28.050 1.00 0.00 H new ATOM 0 HD12 LEU A 35 34.500 32.008 27.140 1.00 0.00 H new ATOM 0 HD13 LEU A 35 33.091 31.190 27.855 1.00 0.00 H new ATOM 0 HD21 LEU A 35 34.192 28.431 27.227 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.497 28.969 27.170 1.00 0.00 H new ATOM 0 HD23 LEU A 35 33.234 28.194 25.747 1.00 0.00 H new ATOM 588 N HIS A 36 31.953 31.511 22.110 1.00 0.00 N ATOM 589 CA HIS A 36 31.366 32.301 21.074 1.00 0.00 C ATOM 590 C HIS A 36 30.206 31.629 20.424 1.00 0.00 C ATOM 591 O HIS A 36 29.257 32.301 20.020 1.00 0.00 O ATOM 592 CB HIS A 36 32.390 32.683 19.992 1.00 0.00 C ATOM 593 CG HIS A 36 33.268 33.836 20.379 1.00 0.00 C ATOM 594 ND1 HIS A 36 32.864 35.133 20.197 1.00 0.00 N ATOM 595 CD2 HIS A 36 34.533 33.887 20.876 1.00 0.00 C ATOM 596 CE1 HIS A 36 33.838 35.941 20.573 1.00 0.00 C ATOM 597 NE2 HIS A 36 34.855 35.213 20.995 1.00 0.00 N ATOM 0 H HIS A 36 32.877 31.159 21.861 1.00 0.00 H new ATOM 0 HA HIS A 36 31.010 33.204 21.570 1.00 0.00 H new ATOM 0 HB2 HIS A 36 33.016 31.818 19.774 1.00 0.00 H new ATOM 0 HB3 HIS A 36 31.860 32.933 19.073 1.00 0.00 H new ATOM 0 HD2 HIS A 36 35.161 33.046 21.128 1.00 0.00 H new ATOM 0 HE1 HIS A 36 33.808 37.020 20.541 1.00 0.00 H new ATOM 0 HE2 HIS A 36 35.738 35.579 21.352 1.00 0.00 H new ATOM 606 N THR A 37 30.180 30.287 20.354 1.00 0.00 N ATOM 607 CA THR A 37 29.055 29.507 19.942 1.00 0.00 C ATOM 608 C THR A 37 27.865 29.703 20.817 1.00 0.00 C ATOM 609 O THR A 37 26.725 29.681 20.353 1.00 0.00 O ATOM 610 CB THR A 37 29.403 28.063 19.734 1.00 0.00 C ATOM 611 OG1 THR A 37 29.526 27.799 18.344 1.00 0.00 O ATOM 612 CG2 THR A 37 28.399 27.033 20.278 1.00 0.00 C ATOM 0 H THR A 37 30.988 29.715 20.598 1.00 0.00 H new ATOM 0 HA THR A 37 28.762 29.887 18.963 1.00 0.00 H new ATOM 0 HB THR A 37 30.328 27.939 20.297 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.755 26.856 18.209 1.00 0.00 H new ATOM 0 HG21 THR A 37 28.760 26.026 20.067 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.293 27.162 21.355 1.00 0.00 H new ATOM 0 HG23 THR A 37 27.432 27.179 19.798 1.00 0.00 H new ATOM 620 N TYR A 38 28.081 30.005 22.109 1.00 0.00 N ATOM 621 CA TYR A 38 27.059 30.556 22.944 1.00 0.00 C ATOM 622 C TYR A 38 26.806 31.991 22.634 1.00 0.00 C ATOM 623 O TYR A 38 25.709 32.376 22.233 1.00 0.00 O ATOM 624 CB TYR A 38 27.460 30.387 24.419 1.00 0.00 C ATOM 625 CG TYR A 38 26.590 31.027 25.446 1.00 0.00 C ATOM 626 CD1 TYR A 38 25.286 31.406 25.236 1.00 0.00 C ATOM 627 CD2 TYR A 38 27.206 31.368 26.628 1.00 0.00 C ATOM 628 CE1 TYR A 38 24.654 32.235 26.132 1.00 0.00 C ATOM 629 CE2 TYR A 38 26.584 32.209 27.521 1.00 0.00 C ATOM 630 CZ TYR A 38 25.316 32.670 27.256 1.00 0.00 C ATOM 631 OH TYR A 38 24.735 33.636 28.105 1.00 0.00 O ATOM 0 H TYR A 38 28.975 29.866 22.580 1.00 0.00 H new ATOM 0 HA TYR A 38 26.131 30.017 22.751 1.00 0.00 H new ATOM 0 HB2 TYR A 38 27.506 29.320 24.635 1.00 0.00 H new ATOM 0 HB3 TYR A 38 28.469 30.781 24.540 1.00 0.00 H new ATOM 0 HD1 TYR A 38 24.756 31.051 24.364 1.00 0.00 H new ATOM 0 HD2 TYR A 38 28.185 30.973 26.856 1.00 0.00 H new ATOM 0 HE1 TYR A 38 23.635 32.545 25.953 1.00 0.00 H new ATOM 0 HE2 TYR A 38 27.090 32.506 28.428 1.00 0.00 H new ATOM 0 HH TYR A 38 25.439 34.092 28.612 1.00 0.00 H new ATOM 641 N GLN A 39 27.803 32.874 22.827 1.00 0.00 N ATOM 642 CA GLN A 39 27.516 34.264 22.998 1.00 0.00 C ATOM 643 C GLN A 39 27.123 35.025 21.779 1.00 0.00 C ATOM 644 O GLN A 39 26.524 36.094 21.888 1.00 0.00 O ATOM 645 CB GLN A 39 28.612 34.956 23.827 1.00 0.00 C ATOM 646 CG GLN A 39 29.837 35.473 23.068 1.00 0.00 C ATOM 647 CD GLN A 39 29.934 36.988 22.977 1.00 0.00 C ATOM 648 OE1 GLN A 39 30.982 37.584 23.225 1.00 0.00 O ATOM 649 NE2 GLN A 39 28.819 37.673 22.604 1.00 0.00 N ATOM 0 H GLN A 39 28.793 32.631 22.864 1.00 0.00 H new ATOM 0 HA GLN A 39 26.587 34.281 23.569 1.00 0.00 H new ATOM 0 HB2 GLN A 39 28.159 35.797 24.352 1.00 0.00 H new ATOM 0 HB3 GLN A 39 28.956 34.254 24.587 1.00 0.00 H new ATOM 0 HG2 GLN A 39 30.736 35.093 23.554 1.00 0.00 H new ATOM 0 HG3 GLN A 39 29.823 35.062 22.059 1.00 0.00 H new ATOM 0 HE21 GLN A 39 27.955 37.170 22.401 1.00 0.00 H new ATOM 0 HE22 GLN A 39 28.847 38.690 22.528 1.00 0.00 H new ATOM 898 N SER A 54 22.350 24.967 25.752 1.00 0.00 N ATOM 899 CA SER A 54 22.540 24.633 27.131 1.00 0.00 C ATOM 900 C SER A 54 23.845 25.167 27.611 1.00 0.00 C ATOM 901 O SER A 54 24.865 25.138 26.923 1.00 0.00 O ATOM 902 CB SER A 54 22.458 23.118 27.385 1.00 0.00 C ATOM 903 OG SER A 54 23.366 22.369 26.590 1.00 0.00 O ATOM 0 HA SER A 54 21.728 25.096 27.691 1.00 0.00 H new ATOM 0 HB2 SER A 54 22.659 22.921 28.438 1.00 0.00 H new ATOM 0 HB3 SER A 54 21.442 22.777 27.185 1.00 0.00 H new ATOM 0 HG SER A 54 23.540 22.848 25.753 1.00 0.00 H new ATOM 909 N GLU A 55 23.886 25.704 28.842 1.00 0.00 N ATOM 910 CA GLU A 55 25.088 26.132 29.489 1.00 0.00 C ATOM 911 C GLU A 55 26.028 25.006 29.748 1.00 0.00 C ATOM 912 O GLU A 55 27.249 25.144 29.694 1.00 0.00 O ATOM 913 CB GLU A 55 24.766 26.866 30.802 1.00 0.00 C ATOM 914 CG GLU A 55 23.911 28.123 30.633 1.00 0.00 C ATOM 915 CD GLU A 55 22.425 27.881 30.867 1.00 0.00 C ATOM 916 OE1 GLU A 55 21.748 27.245 30.018 1.00 0.00 O ATOM 917 OE2 GLU A 55 21.899 28.342 31.915 1.00 0.00 O ATOM 0 H GLU A 55 23.050 25.846 29.409 1.00 0.00 H new ATOM 0 HA GLU A 55 25.586 26.819 28.805 1.00 0.00 H new ATOM 0 HB2 GLU A 55 24.249 26.178 31.471 1.00 0.00 H new ATOM 0 HB3 GLU A 55 25.702 27.141 31.289 1.00 0.00 H new ATOM 0 HG2 GLU A 55 24.261 28.887 31.327 1.00 0.00 H new ATOM 0 HG3 GLU A 55 24.053 28.517 29.627 1.00 0.00 H new ATOM 924 N GLU A 56 25.482 23.794 29.954 1.00 0.00 N ATOM 925 CA GLU A 56 26.189 22.552 30.005 1.00 0.00 C ATOM 926 C GLU A 56 27.043 22.223 28.829 1.00 0.00 C ATOM 927 O GLU A 56 28.060 21.548 28.981 1.00 0.00 O ATOM 928 CB GLU A 56 25.137 21.448 30.201 1.00 0.00 C ATOM 929 CG GLU A 56 25.726 20.177 30.816 1.00 0.00 C ATOM 930 CD GLU A 56 24.695 19.065 30.939 1.00 0.00 C ATOM 931 OE1 GLU A 56 24.153 18.618 29.893 1.00 0.00 O ATOM 932 OE2 GLU A 56 24.392 18.625 32.081 1.00 0.00 O ATOM 0 H GLU A 56 24.479 23.675 30.094 1.00 0.00 H new ATOM 0 HA GLU A 56 26.902 22.635 30.826 1.00 0.00 H new ATOM 0 HB2 GLU A 56 24.339 21.822 30.843 1.00 0.00 H new ATOM 0 HB3 GLU A 56 24.686 21.206 29.239 1.00 0.00 H new ATOM 0 HG2 GLU A 56 26.559 19.832 30.203 1.00 0.00 H new ATOM 0 HG3 GLU A 56 26.130 20.406 31.802 1.00 0.00 H new ATOM 939 N GLU A 57 26.717 22.647 27.595 1.00 0.00 N ATOM 940 CA GLU A 57 27.431 22.183 26.446 1.00 0.00 C ATOM 941 C GLU A 57 28.674 22.976 26.239 1.00 0.00 C ATOM 942 O GLU A 57 29.720 22.467 25.837 1.00 0.00 O ATOM 943 CB GLU A 57 26.619 22.076 25.143 1.00 0.00 C ATOM 944 CG GLU A 57 26.874 23.149 24.084 1.00 0.00 C ATOM 945 CD GLU A 57 26.067 22.818 22.837 1.00 0.00 C ATOM 946 OE1 GLU A 57 24.809 22.875 22.907 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.658 22.443 21.789 1.00 0.00 O ATOM 0 H GLU A 57 25.965 23.306 27.393 1.00 0.00 H new ATOM 0 HA GLU A 57 27.683 21.150 26.685 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.820 21.102 24.696 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.560 22.096 25.400 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.591 24.130 24.466 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.936 23.195 23.843 1.00 0.00 H new ATOM 954 N VAL A 58 28.597 24.285 26.539 1.00 0.00 N ATOM 955 CA VAL A 58 29.684 25.199 26.376 1.00 0.00 C ATOM 956 C VAL A 58 30.785 24.866 27.324 1.00 0.00 C ATOM 957 O VAL A 58 31.973 24.893 27.008 1.00 0.00 O ATOM 958 CB VAL A 58 29.130 26.592 26.424 1.00 0.00 C ATOM 959 CG1 VAL A 58 29.193 27.234 27.820 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.915 27.498 25.460 1.00 0.00 C ATOM 0 H VAL A 58 27.751 24.721 26.907 1.00 0.00 H new ATOM 0 HA VAL A 58 30.170 25.117 25.404 1.00 0.00 H new ATOM 0 HB VAL A 58 28.081 26.503 26.140 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.775 28.240 27.777 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.618 26.632 28.524 1.00 0.00 H new ATOM 0 HG13 VAL A 58 30.231 27.286 28.150 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.509 28.509 25.499 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.965 27.517 25.753 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.828 27.111 24.445 1.00 0.00 H new ATOM 970 N PHE A 59 30.359 24.384 28.505 1.00 0.00 N ATOM 971 CA PHE A 59 31.123 23.648 29.465 1.00 0.00 C ATOM 972 C PHE A 59 31.666 22.359 28.952 1.00 0.00 C ATOM 973 O PHE A 59 32.877 22.149 28.979 1.00 0.00 O ATOM 974 CB PHE A 59 30.271 23.445 30.730 1.00 0.00 C ATOM 975 CG PHE A 59 30.951 22.764 31.867 1.00 0.00 C ATOM 976 CD1 PHE A 59 30.891 21.397 32.000 1.00 0.00 C ATOM 977 CD2 PHE A 59 31.607 23.495 32.831 1.00 0.00 C ATOM 978 CE1 PHE A 59 31.491 20.767 33.065 1.00 0.00 C ATOM 979 CE2 PHE A 59 32.184 22.879 33.915 1.00 0.00 C ATOM 980 CZ PHE A 59 32.138 21.509 34.026 1.00 0.00 C ATOM 0 H PHE A 59 29.397 24.522 28.813 1.00 0.00 H new ATOM 0 HA PHE A 59 32.008 24.239 29.701 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.923 24.420 31.071 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.387 22.867 30.461 1.00 0.00 H new ATOM 0 HD1 PHE A 59 30.367 20.811 31.260 1.00 0.00 H new ATOM 0 HD2 PHE A 59 31.669 24.569 32.734 1.00 0.00 H new ATOM 0 HE1 PHE A 59 31.454 19.691 33.147 1.00 0.00 H new ATOM 0 HE2 PHE A 59 32.672 23.468 34.677 1.00 0.00 H new ATOM 0 HZ PHE A 59 32.608 21.017 34.865 1.00 0.00 H new ATOM 990 N THR A 60 30.824 21.434 28.457 1.00 0.00 N ATOM 991 CA THR A 60 31.187 20.142 27.965 1.00 0.00 C ATOM 992 C THR A 60 32.258 20.149 26.929 1.00 0.00 C ATOM 993 O THR A 60 33.186 19.343 26.945 1.00 0.00 O ATOM 994 CB THR A 60 30.027 19.287 27.549 1.00 0.00 C ATOM 995 OG1 THR A 60 30.116 17.999 28.140 1.00 0.00 O ATOM 996 CG2 THR A 60 29.881 19.060 26.034 1.00 0.00 C ATOM 0 H THR A 60 29.820 21.602 28.397 1.00 0.00 H new ATOM 0 HA THR A 60 31.620 19.667 28.846 1.00 0.00 H new ATOM 0 HB THR A 60 29.160 19.854 27.889 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.350 17.456 27.859 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.013 18.430 25.843 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.751 20.019 25.533 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.776 18.570 25.652 1.00 0.00 H new ATOM 1004 N GLU A 61 32.178 21.088 25.969 1.00 0.00 N ATOM 1005 CA GLU A 61 33.131 21.210 24.909 1.00 0.00 C ATOM 1006 C GLU A 61 34.436 21.697 25.440 1.00 0.00 C ATOM 1007 O GLU A 61 35.452 21.043 25.207 1.00 0.00 O ATOM 1008 CB GLU A 61 32.551 22.018 23.735 1.00 0.00 C ATOM 1009 CG GLU A 61 31.279 21.445 23.107 1.00 0.00 C ATOM 1010 CD GLU A 61 31.470 20.230 22.209 1.00 0.00 C ATOM 1011 OE1 GLU A 61 32.160 19.247 22.589 1.00 0.00 O ATOM 1012 OE2 GLU A 61 30.883 20.237 21.094 1.00 0.00 O ATOM 0 H GLU A 61 31.431 21.781 25.929 1.00 0.00 H new ATOM 0 HA GLU A 61 33.345 20.230 24.482 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.340 23.030 24.082 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.313 22.099 22.960 1.00 0.00 H new ATOM 0 HG2 GLU A 61 30.591 21.176 23.908 1.00 0.00 H new ATOM 0 HG3 GLU A 61 30.798 22.231 22.525 1.00 0.00 H new ATOM 1019 N VAL A 62 34.483 22.761 26.261 1.00 0.00 N ATOM 1020 CA VAL A 62 35.646 23.256 26.929 1.00 0.00 C ATOM 1021 C VAL A 62 36.386 22.248 27.740 1.00 0.00 C ATOM 1022 O VAL A 62 37.614 22.215 27.777 1.00 0.00 O ATOM 1023 CB VAL A 62 35.239 24.383 27.831 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.265 24.763 28.911 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.959 25.579 26.905 1.00 0.00 C ATOM 0 H VAL A 62 33.651 23.312 26.472 1.00 0.00 H new ATOM 0 HA VAL A 62 36.330 23.571 26.141 1.00 0.00 H new ATOM 0 HB VAL A 62 34.369 24.069 28.407 1.00 0.00 H new ATOM 0 HG11 VAL A 62 35.876 25.587 29.509 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.451 23.903 29.555 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.197 25.069 28.436 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.656 26.439 27.503 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.862 25.826 26.346 1.00 0.00 H new ATOM 0 HG23 VAL A 62 34.161 25.321 26.209 1.00 0.00 H new ATOM 1035 N ALA A 63 35.617 21.361 28.397 1.00 0.00 N ATOM 1036 CA ALA A 63 36.069 20.351 29.304 1.00 0.00 C ATOM 1037 C ALA A 63 36.939 19.354 28.620 1.00 0.00 C ATOM 1038 O ALA A 63 37.913 18.868 29.193 1.00 0.00 O ATOM 1039 CB ALA A 63 34.886 19.590 29.924 1.00 0.00 C ATOM 0 H ALA A 63 34.603 21.350 28.285 1.00 0.00 H new ATOM 0 HA ALA A 63 36.633 20.867 30.081 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.261 18.829 30.609 1.00 0.00 H new ATOM 0 HB2 ALA A 63 34.251 20.287 30.470 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.306 19.113 29.134 1.00 0.00 H new ATOM 1045 N ASN A 64 36.638 19.038 27.348 1.00 0.00 N ATOM 1046 CA ASN A 64 37.400 18.063 26.632 1.00 0.00 C ATOM 1047 C ASN A 64 38.744 18.567 26.233 1.00 0.00 C ATOM 1048 O ASN A 64 39.715 17.817 26.156 1.00 0.00 O ATOM 1049 CB ASN A 64 36.608 17.386 25.500 1.00 0.00 C ATOM 1050 CG ASN A 64 36.589 18.101 24.156 1.00 0.00 C ATOM 1051 OD1 ASN A 64 37.584 18.143 23.435 1.00 0.00 O ATOM 1052 ND2 ASN A 64 35.407 18.640 23.749 1.00 0.00 N ATOM 0 H ASN A 64 35.872 19.454 26.818 1.00 0.00 H new ATOM 0 HA ASN A 64 37.603 17.254 27.333 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.018 16.387 25.348 1.00 0.00 H new ATOM 0 HB3 ASN A 64 35.578 17.261 25.833 1.00 0.00 H new ATOM 0 HD21 ASN A 64 35.338 19.087 22.835 1.00 0.00 H new ATOM 0 HD22 ASN A 64 34.590 18.597 24.359 1.00 0.00 H new ATOM 1059 N LEU A 65 38.870 19.890 26.022 1.00 0.00 N ATOM 1060 CA LEU A 65 40.145 20.501 25.807 1.00 0.00 C ATOM 1061 C LEU A 65 40.961 20.606 27.049 1.00 0.00 C ATOM 1062 O LEU A 65 42.190 20.567 27.016 1.00 0.00 O ATOM 1063 CB LEU A 65 40.122 21.897 25.161 1.00 0.00 C ATOM 1064 CG LEU A 65 39.255 22.052 23.900 1.00 0.00 C ATOM 1065 CD1 LEU A 65 37.838 22.481 24.319 1.00 0.00 C ATOM 1066 CD2 LEU A 65 39.825 23.094 22.923 1.00 0.00 C ATOM 0 H LEU A 65 38.084 20.539 26.000 1.00 0.00 H new ATOM 0 HA LEU A 65 40.597 19.808 25.097 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.773 22.612 25.906 1.00 0.00 H new ATOM 0 HB3 LEU A 65 41.146 22.174 24.908 1.00 0.00 H new ATOM 0 HG LEU A 65 39.240 21.091 23.387 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.215 22.594 23.432 1.00 0.00 H new ATOM 0 HD12 LEU A 65 37.406 21.722 24.972 1.00 0.00 H new ATOM 0 HD13 LEU A 65 37.888 23.431 24.851 1.00 0.00 H new ATOM 0 HD21 LEU A 65 39.177 23.166 22.049 1.00 0.00 H new ATOM 0 HD22 LEU A 65 39.878 24.064 23.416 1.00 0.00 H new ATOM 0 HD23 LEU A 65 40.824 22.791 22.610 1.00 0.00 H new ATOM 1078 N PHE A 66 40.304 20.750 28.214 1.00 0.00 N ATOM 1079 CA PHE A 66 40.889 21.113 29.467 1.00 0.00 C ATOM 1080 C PHE A 66 41.069 19.921 30.342 1.00 0.00 C ATOM 1081 O PHE A 66 41.360 20.048 31.531 1.00 0.00 O ATOM 1082 CB PHE A 66 39.989 22.095 30.236 1.00 0.00 C ATOM 1083 CG PHE A 66 40.039 23.529 29.836 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.805 24.033 28.812 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.294 24.403 30.594 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.830 25.384 28.554 1.00 0.00 C ATOM 1087 CE2 PHE A 66 39.305 25.755 30.344 1.00 0.00 C ATOM 1088 CZ PHE A 66 40.074 26.245 29.315 1.00 0.00 C ATOM 0 H PHE A 66 39.297 20.603 28.284 1.00 0.00 H new ATOM 0 HA PHE A 66 41.851 21.571 29.235 1.00 0.00 H new ATOM 0 HB2 PHE A 66 38.958 21.754 30.138 1.00 0.00 H new ATOM 0 HB3 PHE A 66 40.247 22.031 31.293 1.00 0.00 H new ATOM 0 HD1 PHE A 66 41.393 23.362 28.204 1.00 0.00 H new ATOM 0 HD2 PHE A 66 38.688 24.019 31.402 1.00 0.00 H new ATOM 0 HE1 PHE A 66 41.444 25.769 27.753 1.00 0.00 H new ATOM 0 HE2 PHE A 66 38.715 26.426 30.950 1.00 0.00 H new ATOM 0 HZ PHE A 66 40.084 27.304 29.105 1.00 0.00 H new ATOM 1098 N ARG A 67 40.884 18.702 29.806 1.00 0.00 N ATOM 1099 CA ARG A 67 40.632 17.531 30.587 1.00 0.00 C ATOM 1100 C ARG A 67 41.671 17.128 31.577 1.00 0.00 C ATOM 1101 O ARG A 67 42.829 16.859 31.265 1.00 0.00 O ATOM 1102 CB ARG A 67 40.194 16.400 29.640 1.00 0.00 C ATOM 1103 CG ARG A 67 41.325 15.720 28.865 1.00 0.00 C ATOM 1104 CD ARG A 67 40.876 14.927 27.636 1.00 0.00 C ATOM 1105 NE ARG A 67 40.087 13.740 28.070 1.00 0.00 N ATOM 1106 CZ ARG A 67 39.350 12.989 27.200 1.00 0.00 C ATOM 1107 NH1 ARG A 67 39.248 13.277 25.869 1.00 0.00 N ATOM 1108 NH2 ARG A 67 38.676 11.904 27.680 1.00 0.00 N ATOM 0 H ARG A 67 40.910 18.525 28.802 1.00 0.00 H new ATOM 0 HA ARG A 67 39.823 17.787 31.271 1.00 0.00 H new ATOM 0 HB2 ARG A 67 39.669 15.643 30.223 1.00 0.00 H new ATOM 0 HB3 ARG A 67 39.478 16.804 28.925 1.00 0.00 H new ATOM 0 HG2 ARG A 67 42.038 16.481 28.548 1.00 0.00 H new ATOM 0 HG3 ARG A 67 41.855 15.048 29.539 1.00 0.00 H new ATOM 0 HD2 ARG A 67 40.273 15.558 26.983 1.00 0.00 H new ATOM 0 HD3 ARG A 67 41.744 14.608 27.059 1.00 0.00 H new ATOM 0 HE ARG A 67 40.098 13.478 29.056 1.00 0.00 H new ATOM 0 HH11 ARG A 67 39.736 14.085 25.483 1.00 0.00 H new ATOM 0 HH12 ARG A 67 38.684 12.684 25.261 1.00 0.00 H new ATOM 0 HH21 ARG A 67 38.729 11.668 28.671 1.00 0.00 H new ATOM 0 HH22 ARG A 67 38.119 11.329 27.048 1.00 0.00 H new ATOM 1122 N GLY A 68 41.284 17.129 32.865 1.00 0.00 N ATOM 1123 CA GLY A 68 42.153 16.931 33.984 1.00 0.00 C ATOM 1124 C GLY A 68 42.237 18.151 34.835 1.00 0.00 C ATOM 1125 O GLY A 68 42.314 18.077 36.061 1.00 0.00 O ATOM 0 H GLY A 68 40.313 17.276 33.140 1.00 0.00 H new ATOM 0 HA2 GLY A 68 41.793 16.094 34.582 1.00 0.00 H new ATOM 0 HA3 GLY A 68 43.149 16.664 33.630 1.00 0.00 H new ATOM 1129 N GLN A 69 42.251 19.346 34.218 1.00 0.00 N ATOM 1130 CA GLN A 69 42.434 20.610 34.861 1.00 0.00 C ATOM 1131 C GLN A 69 41.182 21.174 35.440 1.00 0.00 C ATOM 1132 O GLN A 69 40.607 22.171 35.005 1.00 0.00 O ATOM 1133 CB GLN A 69 43.061 21.593 33.858 1.00 0.00 C ATOM 1134 CG GLN A 69 44.477 21.191 33.445 1.00 0.00 C ATOM 1135 CD GLN A 69 44.644 20.040 32.462 1.00 0.00 C ATOM 1136 OE1 GLN A 69 45.045 18.940 32.841 1.00 0.00 O ATOM 1137 NE2 GLN A 69 44.373 20.294 31.154 1.00 0.00 N ATOM 0 H GLN A 69 42.127 19.434 33.209 1.00 0.00 H new ATOM 0 HA GLN A 69 43.100 20.451 35.709 1.00 0.00 H new ATOM 0 HB2 GLN A 69 42.431 21.652 32.971 1.00 0.00 H new ATOM 0 HB3 GLN A 69 43.085 22.590 34.299 1.00 0.00 H new ATOM 0 HG2 GLN A 69 44.959 22.068 33.014 1.00 0.00 H new ATOM 0 HG3 GLN A 69 45.028 20.937 34.351 1.00 0.00 H new ATOM 0 HE21 GLN A 69 44.042 21.216 30.872 1.00 0.00 H new ATOM 0 HE22 GLN A 69 44.501 19.562 30.455 1.00 0.00 H new ATOM 1146 N GLU A 70 40.746 20.521 36.532 1.00 0.00 N ATOM 1147 CA GLU A 70 39.516 20.695 37.241 1.00 0.00 C ATOM 1148 C GLU A 70 39.333 22.025 37.886 1.00 0.00 C ATOM 1149 O GLU A 70 38.220 22.538 37.998 1.00 0.00 O ATOM 1150 CB GLU A 70 39.389 19.576 38.288 1.00 0.00 C ATOM 1151 CG GLU A 70 40.418 19.613 39.420 1.00 0.00 C ATOM 1152 CD GLU A 70 40.348 18.375 40.302 1.00 0.00 C ATOM 1153 OE1 GLU A 70 39.251 18.068 40.842 1.00 0.00 O ATOM 1154 OE2 GLU A 70 41.409 17.721 40.489 1.00 0.00 O ATOM 0 H GLU A 70 41.318 19.794 36.962 1.00 0.00 H new ATOM 0 HA GLU A 70 38.725 20.642 36.493 1.00 0.00 H new ATOM 0 HB2 GLU A 70 38.392 19.623 38.725 1.00 0.00 H new ATOM 0 HB3 GLU A 70 39.469 18.615 37.779 1.00 0.00 H new ATOM 0 HG2 GLU A 70 41.419 19.699 38.996 1.00 0.00 H new ATOM 0 HG3 GLU A 70 40.253 20.501 40.030 1.00 0.00 H new ATOM 1161 N ASP A 71 40.440 22.661 38.311 1.00 0.00 N ATOM 1162 CA ASP A 71 40.515 23.904 39.013 1.00 0.00 C ATOM 1163 C ASP A 71 40.133 25.081 38.183 1.00 0.00 C ATOM 1164 O ASP A 71 39.795 26.144 38.702 1.00 0.00 O ATOM 1165 CB ASP A 71 41.880 24.043 39.707 1.00 0.00 C ATOM 1166 CG ASP A 71 43.095 23.897 38.802 1.00 0.00 C ATOM 1167 OD1 ASP A 71 43.151 22.973 37.946 1.00 0.00 O ATOM 1168 OD2 ASP A 71 44.071 24.676 38.974 1.00 0.00 O ATOM 0 H ASP A 71 41.366 22.266 38.147 1.00 0.00 H new ATOM 0 HA ASP A 71 39.756 23.890 39.795 1.00 0.00 H new ATOM 0 HB2 ASP A 71 41.924 25.019 40.190 1.00 0.00 H new ATOM 0 HB3 ASP A 71 41.945 23.294 40.496 1.00 0.00 H new ATOM 1173 N LEU A 72 40.146 24.926 36.847 1.00 0.00 N ATOM 1174 CA LEU A 72 39.604 25.863 35.912 1.00 0.00 C ATOM 1175 C LEU A 72 38.117 25.795 35.833 1.00 0.00 C ATOM 1176 O LEU A 72 37.423 26.799 35.985 1.00 0.00 O ATOM 1177 CB LEU A 72 40.235 25.598 34.535 1.00 0.00 C ATOM 1178 CG LEU A 72 41.764 25.758 34.505 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.286 25.417 33.099 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.244 27.154 34.939 1.00 0.00 C ATOM 0 H LEU A 72 40.555 24.107 36.397 1.00 0.00 H new ATOM 0 HA LEU A 72 39.844 26.870 36.252 1.00 0.00 H new ATOM 0 HB2 LEU A 72 39.980 24.587 34.219 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.794 26.280 33.808 1.00 0.00 H new ATOM 0 HG LEU A 72 42.174 25.063 35.237 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.370 25.530 33.076 1.00 0.00 H new ATOM 0 HD12 LEU A 72 42.023 24.388 32.853 1.00 0.00 H new ATOM 0 HD13 LEU A 72 41.835 26.091 32.370 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.332 27.195 34.894 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.824 27.907 34.272 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.916 27.351 35.960 1.00 0.00 H new ATOM 1192 N LEU A 73 37.540 24.596 35.633 1.00 0.00 N ATOM 1193 CA LEU A 73 36.140 24.369 35.450 1.00 0.00 C ATOM 1194 C LEU A 73 35.317 24.692 36.648 1.00 0.00 C ATOM 1195 O LEU A 73 34.130 25.004 36.564 1.00 0.00 O ATOM 1196 CB LEU A 73 35.829 22.908 35.083 1.00 0.00 C ATOM 1197 CG LEU A 73 36.234 22.448 33.672 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.642 23.316 32.549 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.760 22.311 33.541 1.00 0.00 C ATOM 0 H LEU A 73 38.084 23.734 35.597 1.00 0.00 H new ATOM 0 HA LEU A 73 35.877 25.043 34.635 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.326 22.262 35.807 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.757 22.749 35.198 1.00 0.00 H new ATOM 0 HG LEU A 73 35.794 21.459 33.542 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.970 22.933 31.582 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.554 23.286 32.601 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.983 24.345 32.666 1.00 0.00 H new ATOM 0 HD21 LEU A 73 38.011 21.984 32.532 1.00 0.00 H new ATOM 0 HD22 LEU A 73 38.230 23.275 33.738 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.122 21.577 34.260 1.00 0.00 H new ATOM 1211 N SER A 74 35.943 24.657 37.838 1.00 0.00 N ATOM 1212 CA SER A 74 35.332 25.018 39.079 1.00 0.00 C ATOM 1213 C SER A 74 35.044 26.476 39.191 1.00 0.00 C ATOM 1214 O SER A 74 33.985 26.897 39.653 1.00 0.00 O ATOM 1215 CB SER A 74 36.129 24.555 40.311 1.00 0.00 C ATOM 1216 OG SER A 74 37.421 25.142 40.386 1.00 0.00 O ATOM 0 H SER A 74 36.915 24.365 37.939 1.00 0.00 H new ATOM 0 HA SER A 74 34.383 24.482 39.069 1.00 0.00 H new ATOM 0 HB2 SER A 74 35.570 24.803 41.213 1.00 0.00 H new ATOM 0 HB3 SER A 74 36.229 23.470 40.286 1.00 0.00 H new ATOM 0 HG SER A 74 37.758 25.308 39.481 1.00 0.00 H new ATOM 1222 N GLU A 75 35.978 27.325 38.725 1.00 0.00 N ATOM 1223 CA GLU A 75 35.836 28.743 38.611 1.00 0.00 C ATOM 1224 C GLU A 75 35.006 29.151 37.444 1.00 0.00 C ATOM 1225 O GLU A 75 34.425 30.236 37.440 1.00 0.00 O ATOM 1226 CB GLU A 75 37.206 29.443 38.619 1.00 0.00 C ATOM 1227 CG GLU A 75 37.804 29.442 40.028 1.00 0.00 C ATOM 1228 CD GLU A 75 39.176 30.094 40.109 1.00 0.00 C ATOM 1229 OE1 GLU A 75 39.413 31.132 39.435 1.00 0.00 O ATOM 1230 OE2 GLU A 75 40.042 29.557 40.850 1.00 0.00 O ATOM 0 H GLU A 75 36.891 26.999 38.408 1.00 0.00 H new ATOM 0 HA GLU A 75 35.290 29.075 39.494 1.00 0.00 H new ATOM 0 HB2 GLU A 75 37.883 28.937 37.931 1.00 0.00 H new ATOM 0 HB3 GLU A 75 37.099 30.468 38.265 1.00 0.00 H new ATOM 0 HG2 GLU A 75 37.124 29.962 40.702 1.00 0.00 H new ATOM 0 HG3 GLU A 75 37.879 28.413 40.381 1.00 0.00 H new ATOM 1237 N PHE A 76 34.820 28.270 36.445 1.00 0.00 N ATOM 1238 CA PHE A 76 33.881 28.441 35.380 1.00 0.00 C ATOM 1239 C PHE A 76 32.471 28.478 35.860 1.00 0.00 C ATOM 1240 O PHE A 76 31.596 29.125 35.286 1.00 0.00 O ATOM 1241 CB PHE A 76 34.074 27.280 34.390 1.00 0.00 C ATOM 1242 CG PHE A 76 33.740 27.485 32.952 1.00 0.00 C ATOM 1243 CD1 PHE A 76 33.554 28.704 32.343 1.00 0.00 C ATOM 1244 CD2 PHE A 76 33.725 26.352 32.173 1.00 0.00 C ATOM 1245 CE1 PHE A 76 33.411 28.787 30.979 1.00 0.00 C ATOM 1246 CE2 PHE A 76 33.544 26.419 30.812 1.00 0.00 C ATOM 1247 CZ PHE A 76 33.391 27.646 30.211 1.00 0.00 C ATOM 0 H PHE A 76 35.348 27.400 36.377 1.00 0.00 H new ATOM 0 HA PHE A 76 34.067 29.402 34.901 1.00 0.00 H new ATOM 0 HB2 PHE A 76 35.119 26.974 34.443 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.478 26.441 34.749 1.00 0.00 H new ATOM 0 HD1 PHE A 76 33.520 29.603 32.941 1.00 0.00 H new ATOM 0 HD2 PHE A 76 33.858 25.388 32.641 1.00 0.00 H new ATOM 0 HE1 PHE A 76 33.314 29.754 30.507 1.00 0.00 H new ATOM 0 HE2 PHE A 76 33.522 25.516 30.220 1.00 0.00 H new ATOM 0 HZ PHE A 76 33.256 27.714 29.142 1.00 0.00 H new ATOM 1257 N GLY A 77 32.238 27.841 37.021 1.00 0.00 N ATOM 1258 CA GLY A 77 31.063 27.839 37.836 1.00 0.00 C ATOM 1259 C GLY A 77 30.517 29.174 38.214 1.00 0.00 C ATOM 1260 O GLY A 77 29.368 29.279 38.637 1.00 0.00 O ATOM 0 H GLY A 77 32.965 27.257 37.435 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.284 27.287 37.311 1.00 0.00 H new ATOM 0 HA3 GLY A 77 31.282 27.288 38.751 1.00 0.00 H new ATOM 1264 N GLN A 78 31.323 30.244 38.094 1.00 0.00 N ATOM 1265 CA GLN A 78 30.941 31.610 38.278 1.00 0.00 C ATOM 1266 C GLN A 78 29.713 32.040 37.552 1.00 0.00 C ATOM 1267 O GLN A 78 28.903 32.812 38.063 1.00 0.00 O ATOM 1268 CB GLN A 78 32.106 32.548 37.924 1.00 0.00 C ATOM 1269 CG GLN A 78 32.527 32.596 36.453 1.00 0.00 C ATOM 1270 CD GLN A 78 33.760 33.459 36.225 1.00 0.00 C ATOM 1271 OE1 GLN A 78 33.705 34.478 35.539 1.00 0.00 O ATOM 1272 NE2 GLN A 78 34.918 33.040 36.803 1.00 0.00 N ATOM 0 H GLN A 78 32.309 30.147 37.852 1.00 0.00 H new ATOM 0 HA GLN A 78 30.690 31.680 39.336 1.00 0.00 H new ATOM 0 HB2 GLN A 78 31.836 33.558 38.234 1.00 0.00 H new ATOM 0 HB3 GLN A 78 32.972 32.253 38.516 1.00 0.00 H new ATOM 0 HG2 GLN A 78 32.727 31.583 36.103 1.00 0.00 H new ATOM 0 HG3 GLN A 78 31.702 32.983 35.855 1.00 0.00 H new ATOM 0 HE21 GLN A 78 34.928 32.190 37.366 1.00 0.00 H new ATOM 0 HE22 GLN A 78 35.776 33.576 36.673 1.00 0.00 H new ATOM 1466 N ASN B 201 28.745 36.121 33.386 1.00 0.00 N ATOM 1467 CA ASN B 201 28.218 35.411 32.262 1.00 0.00 C ATOM 1468 C ASN B 201 29.403 34.841 31.562 1.00 0.00 C ATOM 1469 O ASN B 201 30.541 35.230 31.822 1.00 0.00 O ATOM 1470 CB ASN B 201 27.410 36.342 31.341 1.00 0.00 C ATOM 1471 CG ASN B 201 26.411 35.576 30.486 1.00 0.00 C ATOM 1472 OD1 ASN B 201 26.755 34.953 29.484 1.00 0.00 O ATOM 1473 ND2 ASN B 201 25.115 35.597 30.900 1.00 0.00 N ATOM 0 HA ASN B 201 27.523 34.629 32.569 1.00 0.00 H new ATOM 0 HB2 ASN B 201 26.880 37.078 31.945 1.00 0.00 H new ATOM 0 HB3 ASN B 201 28.093 36.893 30.694 1.00 0.00 H new ATOM 0 HD21 ASN B 201 24.404 35.088 30.375 1.00 0.00 H new ATOM 0 HD22 ASN B 201 24.855 36.122 31.735 1.00 0.00 H new ATOM 1480 N ILE B 202 29.196 33.919 30.605 1.00 0.00 N ATOM 1481 CA ILE B 202 30.235 33.514 29.710 1.00 0.00 C ATOM 1482 C ILE B 202 30.530 34.586 28.718 1.00 0.00 C ATOM 1483 O ILE B 202 31.675 34.726 28.290 1.00 0.00 O ATOM 1484 CB ILE B 202 30.013 32.140 29.150 1.00 0.00 C ATOM 1485 CG1 ILE B 202 30.728 31.147 30.080 1.00 0.00 C ATOM 1486 CG2 ILE B 202 30.482 32.028 27.690 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.531 29.675 29.721 1.00 0.00 C ATOM 0 H ILE B 202 28.303 33.451 30.451 1.00 0.00 H new ATOM 0 HA ILE B 202 31.160 33.395 30.275 1.00 0.00 H new ATOM 0 HB ILE B 202 28.948 31.912 29.117 1.00 0.00 H new ATOM 0 HG12 ILE B 202 31.795 31.368 30.073 1.00 0.00 H new ATOM 0 HG13 ILE B 202 30.376 31.308 31.099 1.00 0.00 H new ATOM 0 HG21 ILE B 202 30.302 31.016 27.327 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.930 32.738 27.075 1.00 0.00 H new ATOM 0 HG23 ILE B 202 31.548 32.250 27.632 1.00 0.00 H new ATOM 0 HD11 ILE B 202 31.072 29.051 30.433 1.00 0.00 H new ATOM 0 HD12 ILE B 202 29.469 29.430 29.758 1.00 0.00 H new ATOM 0 HD13 ILE B 202 30.911 29.492 28.716 1.00 0.00 H new ATOM 1499 N GLN B 203 29.566 35.460 28.377 1.00 0.00 N ATOM 1500 CA GLN B 203 29.757 36.623 27.566 1.00 0.00 C ATOM 1501 C GLN B 203 30.907 37.491 27.945 1.00 0.00 C ATOM 1502 O GLN B 203 31.669 37.945 27.092 1.00 0.00 O ATOM 1503 CB GLN B 203 28.447 37.422 27.466 1.00 0.00 C ATOM 1504 CG GLN B 203 28.461 38.650 26.554 1.00 0.00 C ATOM 1505 CD GLN B 203 28.885 39.919 27.282 1.00 0.00 C ATOM 1506 OE1 GLN B 203 28.483 40.180 28.413 1.00 0.00 O ATOM 1507 NE2 GLN B 203 29.706 40.774 26.615 1.00 0.00 N ATOM 0 H GLN B 203 28.600 35.349 28.684 1.00 0.00 H new ATOM 0 HA GLN B 203 30.035 36.246 26.582 1.00 0.00 H new ATOM 0 HB2 GLN B 203 27.663 36.749 27.119 1.00 0.00 H new ATOM 0 HB3 GLN B 203 28.168 37.746 28.469 1.00 0.00 H new ATOM 0 HG2 GLN B 203 29.140 38.470 25.720 1.00 0.00 H new ATOM 0 HG3 GLN B 203 27.467 38.794 26.130 1.00 0.00 H new ATOM 0 HE21 GLN B 203 30.030 40.541 25.676 1.00 0.00 H new ATOM 0 HE22 GLN B 203 29.997 41.648 27.053 1.00 0.00 H new ATOM 1516 N MET B 204 31.140 37.702 29.253 1.00 0.00 N ATOM 1517 CA MET B 204 32.264 38.411 29.780 1.00 0.00 C ATOM 1518 C MET B 204 33.594 37.796 29.509 1.00 0.00 C ATOM 1519 O MET B 204 34.603 38.496 29.441 1.00 0.00 O ATOM 1520 CB MET B 204 32.022 38.603 31.287 1.00 0.00 C ATOM 1521 CG MET B 204 32.844 39.756 31.866 1.00 0.00 C ATOM 1522 SD MET B 204 32.202 40.512 33.389 1.00 0.00 S ATOM 1523 CE MET B 204 32.352 39.085 34.501 1.00 0.00 C ATOM 0 H MET B 204 30.511 37.360 29.980 1.00 0.00 H new ATOM 0 HA MET B 204 32.326 39.366 29.257 1.00 0.00 H new ATOM 0 HB2 MET B 204 30.963 38.792 31.461 1.00 0.00 H new ATOM 0 HB3 MET B 204 32.272 37.682 31.813 1.00 0.00 H new ATOM 0 HG2 MET B 204 33.853 39.393 32.062 1.00 0.00 H new ATOM 0 HG3 MET B 204 32.927 40.533 31.106 1.00 0.00 H new ATOM 0 HE1 MET B 204 31.857 39.307 35.446 1.00 0.00 H new ATOM 0 HE2 MET B 204 31.883 38.215 34.041 1.00 0.00 H new ATOM 0 HE3 MET B 204 33.406 38.875 34.684 1.00 0.00 H new ATOM 1533 N LEU B 205 33.677 36.473 29.280 1.00 0.00 N ATOM 1534 CA LEU B 205 34.901 35.794 28.985 1.00 0.00 C ATOM 1535 C LEU B 205 35.519 36.150 27.678 1.00 0.00 C ATOM 1536 O LEU B 205 36.734 36.290 27.553 1.00 0.00 O ATOM 1537 CB LEU B 205 34.820 34.262 29.089 1.00 0.00 C ATOM 1538 CG LEU B 205 34.648 33.699 30.510 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.642 32.162 30.461 1.00 0.00 C ATOM 1540 CD2 LEU B 205 35.777 34.180 31.438 1.00 0.00 C ATOM 0 H LEU B 205 32.865 35.855 29.301 1.00 0.00 H new ATOM 0 HA LEU B 205 35.549 36.165 29.779 1.00 0.00 H new ATOM 0 HB2 LEU B 205 33.985 33.918 28.478 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.727 33.838 28.657 1.00 0.00 H new ATOM 0 HG LEU B 205 33.700 34.061 30.907 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.520 31.766 31.469 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.817 31.821 29.835 1.00 0.00 H new ATOM 0 HD13 LEU B 205 35.585 31.808 30.044 1.00 0.00 H new ATOM 0 HD21 LEU B 205 35.629 33.766 32.436 1.00 0.00 H new ATOM 0 HD22 LEU B 205 36.738 33.846 31.045 1.00 0.00 H new ATOM 0 HD23 LEU B 205 35.765 35.269 31.491 1.00 0.00 H new ATOM 1552 N LEU B 206 34.684 36.379 26.647 1.00 0.00 N ATOM 1553 CA LEU B 206 35.139 36.790 25.356 1.00 0.00 C ATOM 1554 C LEU B 206 35.591 38.209 25.372 1.00 0.00 C ATOM 1555 O LEU B 206 36.416 38.631 24.564 1.00 0.00 O ATOM 1556 CB LEU B 206 33.988 36.552 24.363 1.00 0.00 C ATOM 1557 CG LEU B 206 33.533 35.085 24.278 1.00 0.00 C ATOM 1558 CD1 LEU B 206 34.731 34.125 24.191 1.00 0.00 C ATOM 1559 CD2 LEU B 206 32.571 34.615 25.382 1.00 0.00 C ATOM 0 H LEU B 206 33.671 36.276 26.713 1.00 0.00 H new ATOM 0 HA LEU B 206 36.008 36.208 25.050 1.00 0.00 H new ATOM 0 HB2 LEU B 206 33.138 37.170 24.652 1.00 0.00 H new ATOM 0 HB3 LEU B 206 34.301 36.883 23.373 1.00 0.00 H new ATOM 0 HG LEU B 206 32.954 35.054 23.355 1.00 0.00 H new ATOM 0 HD11 LEU B 206 34.371 33.098 24.132 1.00 0.00 H new ATOM 0 HD12 LEU B 206 35.318 34.355 23.302 1.00 0.00 H new ATOM 0 HD13 LEU B 206 35.355 34.241 25.077 1.00 0.00 H new ATOM 0 HD21 LEU B 206 32.318 33.567 25.222 1.00 0.00 H new ATOM 0 HD22 LEU B 206 33.050 34.728 26.354 1.00 0.00 H new ATOM 0 HD23 LEU B 206 31.662 35.216 25.353 1.00 0.00 H new ATOM 1571 N GLU B 207 35.107 39.010 26.339 1.00 0.00 N ATOM 1572 CA GLU B 207 35.584 40.349 26.501 1.00 0.00 C ATOM 1573 C GLU B 207 36.885 40.368 27.227 1.00 0.00 C ATOM 1574 O GLU B 207 37.816 41.051 26.808 1.00 0.00 O ATOM 1575 CB GLU B 207 34.543 41.280 27.145 1.00 0.00 C ATOM 1576 CG GLU B 207 33.248 41.334 26.332 1.00 0.00 C ATOM 1577 CD GLU B 207 32.567 42.694 26.390 1.00 0.00 C ATOM 1578 OE1 GLU B 207 32.124 43.119 27.490 1.00 0.00 O ATOM 1579 OE2 GLU B 207 32.499 43.373 25.331 1.00 0.00 O ATOM 0 H GLU B 207 34.388 38.732 27.007 1.00 0.00 H new ATOM 0 HA GLU B 207 35.757 40.749 25.502 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.323 40.936 28.156 1.00 0.00 H new ATOM 0 HB3 GLU B 207 34.959 42.284 27.233 1.00 0.00 H new ATOM 0 HG2 GLU B 207 33.467 41.087 25.293 1.00 0.00 H new ATOM 0 HG3 GLU B 207 32.561 40.573 26.702 1.00 0.00 H new ATOM 1586 N ALA B 208 37.012 39.575 28.307 1.00 0.00 N ATOM 1587 CA ALA B 208 38.218 39.356 29.043 1.00 0.00 C ATOM 1588 C ALA B 208 39.346 38.801 28.244 1.00 0.00 C ATOM 1589 O ALA B 208 40.498 39.194 28.424 1.00 0.00 O ATOM 1590 CB ALA B 208 37.924 38.456 30.256 1.00 0.00 C ATOM 0 H ALA B 208 36.222 39.055 28.689 1.00 0.00 H new ATOM 0 HA ALA B 208 38.557 40.341 29.365 1.00 0.00 H new ATOM 0 HB1 ALA B 208 38.844 38.289 30.817 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.190 38.941 30.899 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.530 37.499 29.912 1.00 0.00 H new ATOM 1596 N ALA B 209 39.080 37.897 27.285 1.00 0.00 N ATOM 1597 CA ALA B 209 40.062 37.343 26.405 1.00 0.00 C ATOM 1598 C ALA B 209 40.659 38.296 25.428 1.00 0.00 C ATOM 1599 O ALA B 209 41.880 38.371 25.291 1.00 0.00 O ATOM 1600 CB ALA B 209 39.443 36.158 25.645 1.00 0.00 C ATOM 0 H ALA B 209 38.141 37.537 27.115 1.00 0.00 H new ATOM 0 HA ALA B 209 40.888 37.035 27.047 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.186 35.730 24.972 1.00 0.00 H new ATOM 0 HB2 ALA B 209 39.118 35.399 26.357 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.586 36.504 25.067 1.00 0.00 H new ATOM 1606 N ASP B 210 39.851 39.099 24.713 1.00 0.00 N ATOM 1607 CA ASP B 210 40.333 40.096 23.807 1.00 0.00 C ATOM 1608 C ASP B 210 40.885 41.289 24.508 1.00 0.00 C ATOM 1609 O ASP B 210 41.704 42.037 23.978 1.00 0.00 O ATOM 1610 CB ASP B 210 39.233 40.484 22.806 1.00 0.00 C ATOM 1611 CG ASP B 210 39.032 39.432 21.724 1.00 0.00 C ATOM 1612 OD1 ASP B 210 38.283 38.440 21.929 1.00 0.00 O ATOM 1613 OD2 ASP B 210 39.584 39.619 20.607 1.00 0.00 O ATOM 0 H ASP B 210 38.833 39.054 24.766 1.00 0.00 H new ATOM 0 HA ASP B 210 41.166 39.661 23.254 1.00 0.00 H new ATOM 0 HB2 ASP B 210 38.295 40.634 23.341 1.00 0.00 H new ATOM 0 HB3 ASP B 210 39.489 41.435 22.340 1.00 0.00 H new ATOM 1618 N TYR B 211 40.510 41.502 25.783 1.00 0.00 N ATOM 1619 CA TYR B 211 41.142 42.395 26.703 1.00 0.00 C ATOM 1620 C TYR B 211 42.527 41.950 27.024 1.00 0.00 C ATOM 1621 O TYR B 211 43.461 42.752 27.026 1.00 0.00 O ATOM 1622 CB TYR B 211 40.255 42.516 27.954 1.00 0.00 C ATOM 1623 CG TYR B 211 40.865 43.112 29.176 1.00 0.00 C ATOM 1624 CD1 TYR B 211 41.462 42.300 30.111 1.00 0.00 C ATOM 1625 CD2 TYR B 211 40.747 44.460 29.423 1.00 0.00 C ATOM 1626 CE1 TYR B 211 41.920 42.820 31.300 1.00 0.00 C ATOM 1627 CE2 TYR B 211 41.189 44.980 30.617 1.00 0.00 C ATOM 1628 CZ TYR B 211 41.747 44.158 31.566 1.00 0.00 C ATOM 1629 OH TYR B 211 42.079 44.694 32.827 1.00 0.00 O ATOM 0 H TYR B 211 39.713 41.018 26.196 1.00 0.00 H new ATOM 0 HA TYR B 211 41.246 43.382 26.253 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.381 43.111 27.690 1.00 0.00 H new ATOM 0 HB3 TYR B 211 39.896 41.519 28.209 1.00 0.00 H new ATOM 0 HD1 TYR B 211 41.573 41.245 29.911 1.00 0.00 H new ATOM 0 HD2 TYR B 211 40.308 45.109 28.680 1.00 0.00 H new ATOM 0 HE1 TYR B 211 42.412 42.182 32.019 1.00 0.00 H new ATOM 0 HE2 TYR B 211 41.097 46.039 30.809 1.00 0.00 H new ATOM 0 HH TYR B 211 41.892 45.656 32.833 1.00 0.00 H new ATOM 1639 N LEU B 212 42.753 40.652 27.294 1.00 0.00 N ATOM 1640 CA LEU B 212 44.037 40.112 27.621 1.00 0.00 C ATOM 1641 C LEU B 212 45.009 40.076 26.493 1.00 0.00 C ATOM 1642 O LEU B 212 46.223 40.043 26.690 1.00 0.00 O ATOM 1643 CB LEU B 212 43.873 38.773 28.360 1.00 0.00 C ATOM 1644 CG LEU B 212 44.308 38.868 29.832 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.556 37.811 30.658 1.00 0.00 C ATOM 1646 CD2 LEU B 212 45.832 38.772 30.008 1.00 0.00 C ATOM 0 H LEU B 212 42.012 39.951 27.284 1.00 0.00 H new ATOM 0 HA LEU B 212 44.513 40.813 28.306 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.831 38.457 28.310 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.463 38.007 27.857 1.00 0.00 H new ATOM 0 HG LEU B 212 44.040 39.857 30.204 1.00 0.00 H new ATOM 0 HD11 LEU B 212 43.864 37.878 31.701 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.483 37.988 30.584 1.00 0.00 H new ATOM 0 HD13 LEU B 212 43.787 36.817 30.274 1.00 0.00 H new ATOM 0 HD21 LEU B 212 46.081 38.845 31.067 1.00 0.00 H new ATOM 0 HD22 LEU B 212 46.184 37.817 29.617 1.00 0.00 H new ATOM 0 HD23 LEU B 212 46.313 39.586 29.465 1.00 0.00 H new ATOM 1658 N GLU B 213 44.532 40.139 25.238 1.00 0.00 N ATOM 1659 CA GLU B 213 45.327 40.484 24.099 1.00 0.00 C ATOM 1660 C GLU B 213 45.824 41.887 24.146 1.00 0.00 C ATOM 1661 O GLU B 213 47.011 42.167 23.984 1.00 0.00 O ATOM 1662 CB GLU B 213 44.585 40.264 22.770 1.00 0.00 C ATOM 1663 CG GLU B 213 44.255 38.788 22.539 1.00 0.00 C ATOM 1664 CD GLU B 213 43.803 38.463 21.123 1.00 0.00 C ATOM 1665 OE1 GLU B 213 43.392 39.359 20.337 1.00 0.00 O ATOM 1666 OE2 GLU B 213 43.830 37.248 20.793 1.00 0.00 O ATOM 0 H GLU B 213 43.558 39.943 25.007 1.00 0.00 H new ATOM 0 HA GLU B 213 46.181 39.808 24.144 1.00 0.00 H new ATOM 0 HB2 GLU B 213 43.664 40.847 22.768 1.00 0.00 H new ATOM 0 HB3 GLU B 213 45.197 40.632 21.947 1.00 0.00 H new ATOM 0 HG2 GLU B 213 45.135 38.190 22.773 1.00 0.00 H new ATOM 0 HG3 GLU B 213 43.472 38.489 23.236 1.00 0.00 H new ATOM 1673 N ARG B 214 44.921 42.840 24.436 1.00 0.00 N ATOM 1674 CA ARG B 214 45.185 44.236 24.600 1.00 0.00 C ATOM 1675 C ARG B 214 46.124 44.556 25.711 1.00 0.00 C ATOM 1676 O ARG B 214 46.959 45.450 25.582 1.00 0.00 O ATOM 1677 CB ARG B 214 43.821 44.940 24.700 1.00 0.00 C ATOM 1678 CG ARG B 214 43.779 46.257 25.479 1.00 0.00 C ATOM 1679 CD ARG B 214 42.424 46.965 25.419 1.00 0.00 C ATOM 1680 NE ARG B 214 42.167 47.292 23.989 1.00 0.00 N ATOM 1681 CZ ARG B 214 42.683 48.392 23.366 1.00 0.00 C ATOM 1682 NH1 ARG B 214 43.369 49.355 24.048 1.00 0.00 N ATOM 1683 NH2 ARG B 214 42.558 48.533 22.014 1.00 0.00 N ATOM 0 H ARG B 214 43.934 42.617 24.565 1.00 0.00 H new ATOM 0 HA ARG B 214 45.732 44.613 23.736 1.00 0.00 H new ATOM 0 HB2 ARG B 214 43.463 45.132 23.689 1.00 0.00 H new ATOM 0 HB3 ARG B 214 43.115 44.249 25.162 1.00 0.00 H new ATOM 0 HG2 ARG B 214 44.030 46.060 26.521 1.00 0.00 H new ATOM 0 HG3 ARG B 214 44.546 46.925 25.087 1.00 0.00 H new ATOM 0 HD2 ARG B 214 41.636 46.325 25.816 1.00 0.00 H new ATOM 0 HD3 ARG B 214 42.435 47.870 26.026 1.00 0.00 H new ATOM 0 HE ARG B 214 41.575 46.662 23.447 1.00 0.00 H new ATOM 0 HH11 ARG B 214 43.509 49.265 25.054 1.00 0.00 H new ATOM 0 HH12 ARG B 214 43.741 50.164 23.551 1.00 0.00 H new ATOM 0 HH21 ARG B 214 42.079 47.816 21.469 1.00 0.00 H new ATOM 0 HH22 ARG B 214 42.944 49.355 21.549 1.00 0.00 H new ATOM 1697 N ARG B 215 46.093 43.804 26.826 1.00 0.00 N ATOM 1698 CA ARG B 215 47.010 43.904 27.919 1.00 0.00 C ATOM 1699 C ARG B 215 48.446 43.763 27.548 1.00 0.00 C ATOM 1700 O ARG B 215 49.313 44.434 28.106 1.00 0.00 O ATOM 1701 CB ARG B 215 46.673 42.914 29.046 1.00 0.00 C ATOM 1702 CG ARG B 215 45.360 43.218 29.772 1.00 0.00 C ATOM 1703 CD ARG B 215 45.377 44.464 30.659 1.00 0.00 C ATOM 1704 NE ARG B 215 46.053 44.112 31.940 1.00 0.00 N ATOM 1705 CZ ARG B 215 46.009 44.938 33.025 1.00 0.00 C ATOM 1706 NH1 ARG B 215 45.675 46.259 32.938 1.00 0.00 N ATOM 1707 NH2 ARG B 215 46.297 44.416 34.254 1.00 0.00 N ATOM 0 H ARG B 215 45.386 43.084 26.972 1.00 0.00 H new ATOM 0 HA ARG B 215 46.879 44.926 28.273 1.00 0.00 H new ATOM 0 HB2 ARG B 215 46.621 41.909 28.628 1.00 0.00 H new ATOM 0 HB3 ARG B 215 47.486 42.916 29.772 1.00 0.00 H new ATOM 0 HG2 ARG B 215 44.571 43.332 29.029 1.00 0.00 H new ATOM 0 HG3 ARG B 215 45.096 42.358 30.387 1.00 0.00 H new ATOM 0 HD2 ARG B 215 45.904 45.278 30.162 1.00 0.00 H new ATOM 0 HD3 ARG B 215 44.361 44.811 30.848 1.00 0.00 H new ATOM 0 HE ARG B 215 46.562 43.231 32.007 1.00 0.00 H new ATOM 0 HH11 ARG B 215 45.444 46.668 32.033 1.00 0.00 H new ATOM 0 HH12 ARG B 215 45.656 46.837 33.778 1.00 0.00 H new ATOM 0 HH21 ARG B 215 46.538 43.429 34.345 1.00 0.00 H new ATOM 0 HH22 ARG B 215 46.271 45.013 35.081 1.00 0.00 H new