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 Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 9 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.6!) USER MOD Single : A 12 SER OG : rot 73:sc= 1.31 USER MOD Single : A 13 TYR OH : rot 39:sc= 1.26 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+ -158:sc= 0 (180deg=-0.00138) USER MOD Single : A 19 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 15:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.987 X(o=-0.99,f=-0.58) 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= -0.156 K(o=-0.16,f=-1.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.11) USER MOD Single : A 69 GLN : amide:sc= 0.417 K(o=0.42,f=-0.62) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0.537 K(o=0.54,f=0) USER MOD Single : B 201 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 203 GLN : amide:sc= -0.0201 K(o=-0.02,f=-0.52) USER MOD Single : B 204 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 34.204 44.072 39.633 1.00 0.00 N ATOM 53 CA VAL A 5 34.928 43.118 40.413 1.00 0.00 C ATOM 54 C VAL A 5 35.040 41.834 39.665 1.00 0.00 C ATOM 55 O VAL A 5 36.120 41.296 39.426 1.00 0.00 O ATOM 56 CB VAL A 5 34.237 42.896 41.725 1.00 0.00 C ATOM 57 CG1 VAL A 5 34.992 41.858 42.574 1.00 0.00 C ATOM 58 CG2 VAL A 5 34.164 44.240 42.471 1.00 0.00 C ATOM 0 HA VAL A 5 35.930 43.502 40.607 1.00 0.00 H new ATOM 0 HB VAL A 5 33.233 42.511 41.546 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.471 41.714 43.521 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.036 40.911 42.036 1.00 0.00 H new ATOM 0 HG13 VAL A 5 36.004 42.213 42.767 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.664 44.098 43.429 1.00 0.00 H new ATOM 0 HG22 VAL A 5 35.172 44.617 42.641 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.604 44.958 41.872 1.00 0.00 H new ATOM 68 N GLU A 6 33.892 41.309 39.200 1.00 0.00 N ATOM 69 CA GLU A 6 33.819 40.102 38.438 1.00 0.00 C ATOM 70 C GLU A 6 34.376 40.207 37.060 1.00 0.00 C ATOM 71 O GLU A 6 34.766 39.192 36.486 1.00 0.00 O ATOM 72 CB GLU A 6 32.419 39.465 38.406 1.00 0.00 C ATOM 73 CG GLU A 6 31.890 39.171 39.810 1.00 0.00 C ATOM 74 CD GLU A 6 31.229 40.349 40.511 1.00 0.00 C ATOM 75 OE1 GLU A 6 31.135 41.470 39.943 1.00 0.00 O ATOM 76 OE2 GLU A 6 30.797 40.149 41.678 1.00 0.00 O ATOM 0 H GLU A 6 32.982 41.741 39.361 1.00 0.00 H new ATOM 0 HA GLU A 6 34.472 39.428 38.993 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.729 40.133 37.891 1.00 0.00 H new ATOM 0 HB3 GLU A 6 32.455 38.540 37.831 1.00 0.00 H new ATOM 0 HG2 GLU A 6 31.170 38.355 39.747 1.00 0.00 H new ATOM 0 HG3 GLU A 6 32.717 38.819 40.427 1.00 0.00 H new ATOM 83 N PHE A 7 34.530 41.427 36.515 1.00 0.00 N ATOM 84 CA PHE A 7 35.368 41.601 35.369 1.00 0.00 C ATOM 85 C PHE A 7 36.767 41.162 35.637 1.00 0.00 C ATOM 86 O PHE A 7 37.328 40.389 34.862 1.00 0.00 O ATOM 87 CB PHE A 7 35.327 43.047 34.847 1.00 0.00 C ATOM 88 CG PHE A 7 36.031 43.225 33.547 1.00 0.00 C ATOM 89 CD1 PHE A 7 35.548 42.624 32.409 1.00 0.00 C ATOM 90 CD2 PHE A 7 37.177 43.983 33.468 1.00 0.00 C ATOM 91 CE1 PHE A 7 36.201 42.774 31.208 1.00 0.00 C ATOM 92 CE2 PHE A 7 37.836 44.137 32.271 1.00 0.00 C ATOM 93 CZ PHE A 7 37.343 43.535 31.137 1.00 0.00 C ATOM 0 H PHE A 7 34.084 42.278 36.859 1.00 0.00 H new ATOM 0 HA PHE A 7 34.969 40.959 34.583 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.288 43.356 34.735 1.00 0.00 H new ATOM 0 HB3 PHE A 7 35.777 43.707 35.589 1.00 0.00 H new ATOM 0 HD1 PHE A 7 34.648 42.029 32.458 1.00 0.00 H new ATOM 0 HD2 PHE A 7 37.563 44.462 34.356 1.00 0.00 H new ATOM 0 HE1 PHE A 7 35.816 42.294 30.321 1.00 0.00 H new ATOM 0 HE2 PHE A 7 38.738 44.729 32.222 1.00 0.00 H new ATOM 0 HZ PHE A 7 37.852 43.660 30.193 1.00 0.00 H new ATOM 103 N ASN A 8 37.359 41.539 36.783 1.00 0.00 N ATOM 104 CA ASN A 8 38.696 41.203 37.163 1.00 0.00 C ATOM 105 C ASN A 8 38.825 39.795 37.633 1.00 0.00 C ATOM 106 O ASN A 8 39.873 39.180 37.442 1.00 0.00 O ATOM 107 CB ASN A 8 39.231 42.142 38.258 1.00 0.00 C ATOM 108 CG ASN A 8 39.649 43.473 37.650 1.00 0.00 C ATOM 109 OD1 ASN A 8 40.600 43.546 36.873 1.00 0.00 O ATOM 110 ND2 ASN A 8 38.959 44.577 38.042 1.00 0.00 N ATOM 0 H ASN A 8 36.880 42.108 37.481 1.00 0.00 H new ATOM 0 HA ASN A 8 39.291 41.322 36.258 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.464 42.305 39.015 1.00 0.00 H new ATOM 0 HB3 ASN A 8 40.081 41.680 38.760 1.00 0.00 H new ATOM 0 HD21 ASN A 8 39.226 45.497 37.691 1.00 0.00 H new ATOM 0 HD22 ASN A 8 38.175 44.486 38.688 1.00 0.00 H new ATOM 117 N ASN A 9 37.777 39.182 38.214 1.00 0.00 N ATOM 118 CA ASN A 9 37.787 37.785 38.515 1.00 0.00 C ATOM 119 C ASN A 9 37.719 36.955 37.280 1.00 0.00 C ATOM 120 O ASN A 9 38.321 35.884 37.207 1.00 0.00 O ATOM 121 CB ASN A 9 36.665 37.356 39.474 1.00 0.00 C ATOM 122 CG ASN A 9 36.946 37.887 40.872 1.00 0.00 C ATOM 123 OD1 ASN A 9 38.092 38.054 41.286 1.00 0.00 O ATOM 124 ND2 ASN A 9 35.863 38.118 41.662 1.00 0.00 N ATOM 0 H ASN A 9 36.915 39.660 38.477 1.00 0.00 H new ATOM 0 HA ASN A 9 38.738 37.613 39.020 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.707 37.734 39.118 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.590 36.269 39.497 1.00 0.00 H new ATOM 0 HD21 ASN A 9 35.991 38.438 42.622 1.00 0.00 H new ATOM 0 HD22 ASN A 9 34.923 37.972 41.294 1.00 0.00 H new ATOM 131 N ALA A 10 37.041 37.459 36.234 1.00 0.00 N ATOM 132 CA ALA A 10 37.087 36.924 34.908 1.00 0.00 C ATOM 133 C ALA A 10 38.433 37.087 34.292 1.00 0.00 C ATOM 134 O ALA A 10 38.992 36.108 33.801 1.00 0.00 O ATOM 135 CB ALA A 10 35.950 37.477 34.033 1.00 0.00 C ATOM 0 H ALA A 10 36.434 38.275 36.315 1.00 0.00 H new ATOM 0 HA ALA A 10 36.918 35.849 34.979 1.00 0.00 H new ATOM 0 HB1 ALA A 10 36.018 37.048 33.033 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.989 37.214 34.476 1.00 0.00 H new ATOM 0 HB3 ALA A 10 36.035 38.562 33.968 1.00 0.00 H new ATOM 141 N ILE A 11 39.080 38.265 34.362 1.00 0.00 N ATOM 142 CA ILE A 11 40.416 38.488 33.906 1.00 0.00 C ATOM 143 C ILE A 11 41.386 37.517 34.487 1.00 0.00 C ATOM 144 O ILE A 11 42.142 36.848 33.784 1.00 0.00 O ATOM 145 CB ILE A 11 40.999 39.834 34.222 1.00 0.00 C ATOM 146 CG1 ILE A 11 40.192 41.049 33.735 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.383 39.993 33.572 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.660 40.923 32.307 1.00 0.00 C ATOM 0 H ILE A 11 38.650 39.102 34.756 1.00 0.00 H new ATOM 0 HA ILE A 11 40.293 38.383 32.828 1.00 0.00 H new ATOM 0 HB ILE A 11 41.014 39.838 35.312 1.00 0.00 H new ATOM 0 HG12 ILE A 11 39.351 41.206 34.411 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.821 41.937 33.798 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.788 40.976 33.814 1.00 0.00 H new ATOM 0 HG22 ILE A 11 43.053 39.221 33.950 1.00 0.00 H new ATOM 0 HG23 ILE A 11 42.290 39.895 32.490 1.00 0.00 H new ATOM 0 HD11 ILE A 11 39.103 41.823 32.045 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.495 40.799 31.617 1.00 0.00 H new ATOM 0 HD13 ILE A 11 39.002 40.057 32.239 1.00 0.00 H new ATOM 160 N SER A 12 41.340 37.397 35.825 1.00 0.00 N ATOM 161 CA SER A 12 42.106 36.504 36.639 1.00 0.00 C ATOM 162 C SER A 12 41.998 35.080 36.216 1.00 0.00 C ATOM 163 O SER A 12 42.970 34.327 36.256 1.00 0.00 O ATOM 164 CB SER A 12 41.705 36.590 38.122 1.00 0.00 C ATOM 165 OG SER A 12 41.917 37.895 38.639 1.00 0.00 O ATOM 0 H SER A 12 40.713 37.975 36.384 1.00 0.00 H new ATOM 0 HA SER A 12 43.137 36.832 36.507 1.00 0.00 H new ATOM 0 HB2 SER A 12 40.655 36.319 38.233 1.00 0.00 H new ATOM 0 HB3 SER A 12 42.284 35.869 38.700 1.00 0.00 H new ATOM 0 HG SER A 12 41.234 38.502 38.285 1.00 0.00 H new ATOM 171 N TYR A 13 40.809 34.660 35.748 1.00 0.00 N ATOM 172 CA TYR A 13 40.534 33.355 35.231 1.00 0.00 C ATOM 173 C TYR A 13 41.170 33.132 33.901 1.00 0.00 C ATOM 174 O TYR A 13 41.959 32.203 33.742 1.00 0.00 O ATOM 175 CB TYR A 13 39.014 33.129 35.196 1.00 0.00 C ATOM 176 CG TYR A 13 38.632 31.748 34.785 1.00 0.00 C ATOM 177 CD1 TYR A 13 39.014 30.641 35.504 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.873 31.584 33.651 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.596 29.389 35.119 1.00 0.00 C ATOM 180 CE2 TYR A 13 37.455 30.335 33.255 1.00 0.00 C ATOM 181 CZ TYR A 13 37.813 29.236 33.999 1.00 0.00 C ATOM 182 OH TYR A 13 37.399 27.947 33.601 1.00 0.00 O ATOM 0 H TYR A 13 39.991 35.269 35.730 1.00 0.00 H new ATOM 0 HA TYR A 13 40.979 32.615 35.896 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.600 33.334 36.183 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.563 33.843 34.507 1.00 0.00 H new ATOM 0 HD1 TYR A 13 39.644 30.755 36.374 1.00 0.00 H new ATOM 0 HD2 TYR A 13 37.601 32.448 33.063 1.00 0.00 H new ATOM 0 HE1 TYR A 13 38.883 28.524 35.698 1.00 0.00 H new ATOM 0 HE2 TYR A 13 36.851 30.219 32.367 1.00 0.00 H new ATOM 0 HH TYR A 13 37.175 27.416 34.394 1.00 0.00 H new ATOM 192 N VAL A 14 40.903 33.988 32.899 1.00 0.00 N ATOM 193 CA VAL A 14 41.476 33.907 31.591 1.00 0.00 C ATOM 194 C VAL A 14 42.962 34.008 31.607 1.00 0.00 C ATOM 195 O VAL A 14 43.665 33.291 30.898 1.00 0.00 O ATOM 196 CB VAL A 14 40.924 34.935 30.647 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.240 34.516 29.202 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.392 35.000 30.758 1.00 0.00 C ATOM 0 H VAL A 14 40.259 34.772 33.005 1.00 0.00 H new ATOM 0 HA VAL A 14 41.196 32.918 31.229 1.00 0.00 H new ATOM 0 HB VAL A 14 41.369 35.898 30.898 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.841 35.260 28.512 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.320 34.443 29.072 1.00 0.00 H new ATOM 0 HG13 VAL A 14 40.784 33.548 28.996 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.009 35.750 30.067 1.00 0.00 H new ATOM 0 HG22 VAL A 14 38.968 34.027 30.510 1.00 0.00 H new ATOM 0 HG23 VAL A 14 39.112 35.268 31.777 1.00 0.00 H new ATOM 208 N ASN A 15 43.531 34.861 32.478 1.00 0.00 N ATOM 209 CA ASN A 15 44.931 34.902 32.767 1.00 0.00 C ATOM 210 C ASN A 15 45.518 33.612 33.227 1.00 0.00 C ATOM 211 O ASN A 15 46.572 33.207 32.740 1.00 0.00 O ATOM 212 CB ASN A 15 45.245 35.987 33.811 1.00 0.00 C ATOM 213 CG ASN A 15 46.732 36.271 33.966 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.365 35.840 34.929 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.322 37.009 32.988 1.00 0.00 N ATOM 0 H ASN A 15 42.993 35.551 33.003 1.00 0.00 H new ATOM 0 HA ASN A 15 45.396 35.133 31.808 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.735 36.908 33.530 1.00 0.00 H new ATOM 0 HB3 ASN A 15 44.840 35.680 34.775 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.319 37.220 33.040 1.00 0.00 H new ATOM 0 HD22 ASN A 15 46.768 37.351 32.203 1.00 0.00 H new ATOM 222 N LYS A 16 44.891 32.886 34.170 1.00 0.00 N ATOM 223 CA LYS A 16 45.353 31.602 34.598 1.00 0.00 C ATOM 224 C LYS A 16 45.285 30.568 33.527 1.00 0.00 C ATOM 225 O LYS A 16 46.190 29.746 33.392 1.00 0.00 O ATOM 226 CB LYS A 16 44.584 31.100 35.831 1.00 0.00 C ATOM 227 CG LYS A 16 44.971 31.837 37.115 1.00 0.00 C ATOM 228 CD LYS A 16 44.189 31.332 38.329 1.00 0.00 C ATOM 229 CE LYS A 16 42.714 31.739 38.315 1.00 0.00 C ATOM 230 NZ LYS A 16 42.445 32.793 39.318 1.00 0.00 N ATOM 0 H LYS A 16 44.044 33.198 34.646 1.00 0.00 H new ATOM 0 HA LYS A 16 46.401 31.750 34.858 1.00 0.00 H new ATOM 0 HB2 LYS A 16 43.514 31.218 35.659 1.00 0.00 H new ATOM 0 HB3 LYS A 16 44.770 30.034 35.960 1.00 0.00 H new ATOM 0 HG2 LYS A 16 46.039 31.713 37.295 1.00 0.00 H new ATOM 0 HG3 LYS A 16 44.791 32.904 36.987 1.00 0.00 H new ATOM 0 HD2 LYS A 16 44.258 30.245 38.369 1.00 0.00 H new ATOM 0 HD3 LYS A 16 44.655 31.715 39.237 1.00 0.00 H new ATOM 0 HE2 LYS A 16 42.442 32.098 37.323 1.00 0.00 H new ATOM 0 HE3 LYS A 16 42.091 30.869 38.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 41.438 33.051 39.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 42.684 32.439 40.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 43.024 33.631 39.105 1.00 0.00 H new ATOM 244 N ILE A 17 44.249 30.604 32.670 1.00 0.00 N ATOM 245 CA ILE A 17 44.097 29.785 31.508 1.00 0.00 C ATOM 246 C ILE A 17 45.207 30.026 30.543 1.00 0.00 C ATOM 247 O ILE A 17 45.883 29.097 30.105 1.00 0.00 O ATOM 248 CB ILE A 17 42.749 30.056 30.907 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.675 29.426 31.810 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.602 29.560 29.458 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.240 29.719 31.371 1.00 0.00 C ATOM 0 H ILE A 17 43.468 31.247 32.798 1.00 0.00 H new ATOM 0 HA ILE A 17 44.151 28.731 31.779 1.00 0.00 H new ATOM 0 HB ILE A 17 42.625 31.138 30.853 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.823 28.346 31.834 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.813 29.789 32.828 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.601 29.792 29.094 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.341 30.054 28.828 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.759 28.482 29.425 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.544 29.240 32.059 1.00 0.00 H new ATOM 0 HD12 ILE A 17 40.071 30.796 31.375 1.00 0.00 H new ATOM 0 HD13 ILE A 17 40.081 29.331 30.365 1.00 0.00 H new ATOM 263 N LYS A 18 45.479 31.305 30.227 1.00 0.00 N ATOM 264 CA LYS A 18 46.527 31.723 29.350 1.00 0.00 C ATOM 265 C LYS A 18 47.893 31.368 29.830 1.00 0.00 C ATOM 266 O LYS A 18 48.757 31.020 29.028 1.00 0.00 O ATOM 267 CB LYS A 18 46.378 33.215 29.006 1.00 0.00 C ATOM 268 CG LYS A 18 47.397 34.214 29.555 1.00 0.00 C ATOM 269 CD LYS A 18 47.069 35.669 29.209 1.00 0.00 C ATOM 270 CE LYS A 18 46.697 35.961 27.754 1.00 0.00 C ATOM 271 NZ LYS A 18 47.750 35.509 26.818 1.00 0.00 N ATOM 0 H LYS A 18 44.941 32.086 30.602 1.00 0.00 H new ATOM 0 HA LYS A 18 46.415 31.154 28.427 1.00 0.00 H new ATOM 0 HB2 LYS A 18 46.385 33.303 27.920 1.00 0.00 H new ATOM 0 HB3 LYS A 18 45.392 33.533 29.345 1.00 0.00 H new ATOM 0 HG2 LYS A 18 47.450 34.109 30.639 1.00 0.00 H new ATOM 0 HG3 LYS A 18 48.384 33.968 29.162 1.00 0.00 H new ATOM 0 HD2 LYS A 18 46.243 35.992 29.843 1.00 0.00 H new ATOM 0 HD3 LYS A 18 47.930 36.284 29.470 1.00 0.00 H new ATOM 0 HE2 LYS A 18 45.757 35.464 27.512 1.00 0.00 H new ATOM 0 HE3 LYS A 18 46.533 37.031 27.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 47.664 36.029 25.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 48.686 35.690 27.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 47.642 34.490 26.639 1.00 0.00 H new ATOM 285 N THR A 19 48.126 31.414 31.154 1.00 0.00 N ATOM 286 CA THR A 19 49.370 31.092 31.781 1.00 0.00 C ATOM 287 C THR A 19 49.598 29.625 31.916 1.00 0.00 C ATOM 288 O THR A 19 50.719 29.146 31.754 1.00 0.00 O ATOM 289 CB THR A 19 49.458 31.732 33.134 1.00 0.00 C ATOM 290 OG1 THR A 19 49.241 33.131 33.031 1.00 0.00 O ATOM 291 CG2 THR A 19 50.862 31.567 33.742 1.00 0.00 C ATOM 0 H THR A 19 47.407 31.691 31.823 1.00 0.00 H new ATOM 0 HA THR A 19 50.148 31.484 31.126 1.00 0.00 H new ATOM 0 HB THR A 19 48.706 31.247 33.756 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.286 33.323 33.141 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.892 32.042 34.723 1.00 0.00 H new ATOM 0 HG22 THR A 19 51.091 30.506 33.845 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.599 32.035 33.089 1.00 0.00 H new ATOM 299 N ARG A 20 48.580 28.801 32.218 1.00 0.00 N ATOM 300 CA ARG A 20 48.771 27.387 32.317 1.00 0.00 C ATOM 301 C ARG A 20 48.828 26.698 30.997 1.00 0.00 C ATOM 302 O ARG A 20 49.672 25.829 30.778 1.00 0.00 O ATOM 303 CB ARG A 20 47.684 26.738 33.191 1.00 0.00 C ATOM 304 CG ARG A 20 47.752 27.128 34.669 1.00 0.00 C ATOM 305 CD ARG A 20 48.973 26.571 35.404 1.00 0.00 C ATOM 306 NE ARG A 20 48.866 27.039 36.815 1.00 0.00 N ATOM 307 CZ ARG A 20 49.667 26.606 37.833 1.00 0.00 C ATOM 308 NH1 ARG A 20 50.579 25.605 37.660 1.00 0.00 N ATOM 309 NH2 ARG A 20 49.557 27.196 39.059 1.00 0.00 N ATOM 0 H ARG A 20 47.625 29.113 32.394 1.00 0.00 H new ATOM 0 HA ARG A 20 49.746 27.260 32.787 1.00 0.00 H new ATOM 0 HB2 ARG A 20 46.705 27.014 32.799 1.00 0.00 H new ATOM 0 HB3 ARG A 20 47.766 25.654 33.109 1.00 0.00 H new ATOM 0 HG2 ARG A 20 47.758 28.215 34.747 1.00 0.00 H new ATOM 0 HG3 ARG A 20 46.849 26.778 35.169 1.00 0.00 H new ATOM 0 HD2 ARG A 20 48.991 25.482 35.357 1.00 0.00 H new ATOM 0 HD3 ARG A 20 49.897 26.926 34.946 1.00 0.00 H new ATOM 0 HE ARG A 20 48.147 27.728 37.035 1.00 0.00 H new ATOM 0 HH11 ARG A 20 50.678 25.157 36.749 1.00 0.00 H new ATOM 0 HH12 ARG A 20 51.162 25.305 38.442 1.00 0.00 H new ATOM 0 HH21 ARG A 20 48.884 27.949 39.204 1.00 0.00 H new ATOM 0 HH22 ARG A 20 50.148 26.884 39.830 1.00 0.00 H new ATOM 323 N PHE A 21 47.969 27.074 30.032 1.00 0.00 N ATOM 324 CA PHE A 21 47.958 26.469 28.736 1.00 0.00 C ATOM 325 C PHE A 21 48.880 27.139 27.775 1.00 0.00 C ATOM 326 O PHE A 21 48.562 27.326 26.602 1.00 0.00 O ATOM 327 CB PHE A 21 46.536 26.418 28.155 1.00 0.00 C ATOM 328 CG PHE A 21 45.592 25.620 28.985 1.00 0.00 C ATOM 329 CD1 PHE A 21 45.868 24.329 29.370 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.374 26.163 29.316 1.00 0.00 C ATOM 331 CE1 PHE A 21 44.950 23.601 30.091 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.446 25.449 30.037 1.00 0.00 C ATOM 333 CZ PHE A 21 43.745 24.167 30.435 1.00 0.00 C ATOM 0 H PHE A 21 47.272 27.809 30.153 1.00 0.00 H new ATOM 0 HA PHE A 21 48.321 25.451 28.877 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.154 27.434 28.057 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.575 25.994 27.152 1.00 0.00 H new ATOM 0 HD1 PHE A 21 46.815 23.882 29.104 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.141 27.170 29.004 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.175 22.587 30.386 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.493 25.890 30.288 1.00 0.00 H new ATOM 0 HZ PHE A 21 43.032 23.604 31.019 1.00 0.00 H new ATOM 343 N LEU A 22 50.117 27.456 28.199 1.00 0.00 N ATOM 344 CA LEU A 22 51.183 27.910 27.361 1.00 0.00 C ATOM 345 C LEU A 22 51.752 26.791 26.558 1.00 0.00 C ATOM 346 O LEU A 22 52.170 26.944 25.411 1.00 0.00 O ATOM 347 CB LEU A 22 52.323 28.550 28.172 1.00 0.00 C ATOM 348 CG LEU A 22 51.884 29.867 28.833 1.00 0.00 C ATOM 349 CD1 LEU A 22 52.987 30.320 29.804 1.00 0.00 C ATOM 350 CD2 LEU A 22 51.573 30.997 27.836 1.00 0.00 C ATOM 0 H LEU A 22 50.387 27.392 29.180 1.00 0.00 H new ATOM 0 HA LEU A 22 50.749 28.660 26.700 1.00 0.00 H new ATOM 0 HB2 LEU A 22 52.659 27.853 28.939 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.174 28.738 27.517 1.00 0.00 H new ATOM 0 HG LEU A 22 50.948 29.666 29.355 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.690 31.254 30.281 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.138 29.555 30.566 1.00 0.00 H new ATOM 0 HD13 LEU A 22 53.916 30.473 29.254 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.271 31.891 28.382 1.00 0.00 H new ATOM 0 HD22 LEU A 22 52.462 31.216 27.245 1.00 0.00 H new ATOM 0 HD23 LEU A 22 50.765 30.686 27.174 1.00 0.00 H new ATOM 362 N ASP A 23 51.718 25.578 27.137 1.00 0.00 N ATOM 363 CA ASP A 23 52.066 24.378 26.442 1.00 0.00 C ATOM 364 C ASP A 23 51.028 23.997 25.443 1.00 0.00 C ATOM 365 O ASP A 23 51.282 23.235 24.510 1.00 0.00 O ATOM 366 CB ASP A 23 52.263 23.201 27.410 1.00 0.00 C ATOM 367 CG ASP A 23 53.127 23.630 28.587 1.00 0.00 C ATOM 368 OD1 ASP A 23 54.320 23.985 28.392 1.00 0.00 O ATOM 369 OD2 ASP A 23 52.579 23.649 29.721 1.00 0.00 O ATOM 0 H ASP A 23 51.443 25.428 28.108 1.00 0.00 H new ATOM 0 HA ASP A 23 53.003 24.589 25.927 1.00 0.00 H new ATOM 0 HB2 ASP A 23 51.296 22.849 27.768 1.00 0.00 H new ATOM 0 HB3 ASP A 23 52.733 22.367 26.889 1.00 0.00 H new ATOM 374 N HIS A 24 49.802 24.533 25.578 1.00 0.00 N ATOM 375 CA HIS A 24 48.703 24.194 24.729 1.00 0.00 C ATOM 376 C HIS A 24 48.072 25.411 24.142 1.00 0.00 C ATOM 377 O HIS A 24 46.922 25.681 24.488 1.00 0.00 O ATOM 378 CB HIS A 24 47.668 23.393 25.537 1.00 0.00 C ATOM 379 CG HIS A 24 48.202 22.131 26.147 1.00 0.00 C ATOM 380 ND1 HIS A 24 48.743 21.134 25.378 1.00 0.00 N ATOM 381 CD2 HIS A 24 48.092 21.631 27.406 1.00 0.00 C ATOM 382 CE1 HIS A 24 48.958 20.072 26.131 1.00 0.00 C ATOM 383 NE2 HIS A 24 48.568 20.347 27.361 1.00 0.00 N ATOM 0 H HIS A 24 49.569 25.219 26.296 1.00 0.00 H new ATOM 0 HA HIS A 24 49.075 23.588 23.903 1.00 0.00 H new ATOM 0 HB2 HIS A 24 47.274 24.028 26.331 1.00 0.00 H new ATOM 0 HB3 HIS A 24 46.831 23.142 24.885 1.00 0.00 H new ATOM 0 HD2 HIS A 24 47.705 22.146 28.273 1.00 0.00 H new ATOM 0 HE1 HIS A 24 49.381 19.136 25.797 1.00 0.00 H new ATOM 0 HE2 HIS A 24 48.614 19.706 28.153 1.00 0.00 H new ATOM 392 N PRO A 25 48.674 26.178 23.284 1.00 0.00 N ATOM 393 CA PRO A 25 48.191 27.468 22.887 1.00 0.00 C ATOM 394 C PRO A 25 46.985 27.423 22.013 1.00 0.00 C ATOM 395 O PRO A 25 46.349 28.461 21.835 1.00 0.00 O ATOM 396 CB PRO A 25 49.366 28.105 22.149 1.00 0.00 C ATOM 397 CG PRO A 25 50.135 26.906 21.572 1.00 0.00 C ATOM 398 CD PRO A 25 49.980 25.887 22.711 1.00 0.00 C ATOM 0 HA PRO A 25 47.864 28.033 23.760 1.00 0.00 H new ATOM 0 HB2 PRO A 25 49.026 28.778 21.362 1.00 0.00 H new ATOM 0 HB3 PRO A 25 49.990 28.693 22.823 1.00 0.00 H new ATOM 0 HG2 PRO A 25 49.703 26.549 20.637 1.00 0.00 H new ATOM 0 HG3 PRO A 25 51.179 27.144 21.370 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.031 24.864 22.338 1.00 0.00 H new ATOM 0 HD3 PRO A 25 50.772 25.996 23.452 1.00 0.00 H new ATOM 406 N GLU A 26 46.604 26.250 21.476 1.00 0.00 N ATOM 407 CA GLU A 26 45.381 26.059 20.760 1.00 0.00 C ATOM 408 C GLU A 26 44.168 26.116 21.623 1.00 0.00 C ATOM 409 O GLU A 26 43.069 26.393 21.146 1.00 0.00 O ATOM 410 CB GLU A 26 45.419 24.793 19.889 1.00 0.00 C ATOM 411 CG GLU A 26 45.423 23.454 20.628 1.00 0.00 C ATOM 412 CD GLU A 26 45.585 22.247 19.715 1.00 0.00 C ATOM 413 OE1 GLU A 26 45.903 22.395 18.504 1.00 0.00 O ATOM 414 OE2 GLU A 26 45.366 21.107 20.204 1.00 0.00 O ATOM 0 H GLU A 26 47.169 25.403 21.543 1.00 0.00 H new ATOM 0 HA GLU A 26 45.295 26.913 20.088 1.00 0.00 H new ATOM 0 HB2 GLU A 26 44.557 24.812 19.223 1.00 0.00 H new ATOM 0 HB3 GLU A 26 46.309 24.838 19.261 1.00 0.00 H new ATOM 0 HG2 GLU A 26 46.232 23.456 21.359 1.00 0.00 H new ATOM 0 HG3 GLU A 26 44.491 23.354 21.184 1.00 0.00 H new ATOM 421 N ILE A 27 44.307 25.911 22.945 1.00 0.00 N ATOM 422 CA ILE A 27 43.251 25.967 23.907 1.00 0.00 C ATOM 423 C ILE A 27 42.715 27.355 23.971 1.00 0.00 C ATOM 424 O ILE A 27 41.505 27.552 23.866 1.00 0.00 O ATOM 425 CB ILE A 27 43.649 25.501 25.277 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.100 24.040 25.440 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.436 25.614 26.217 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.220 23.189 24.177 1.00 0.00 C ATOM 0 H ILE A 27 45.210 25.693 23.366 1.00 0.00 H new ATOM 0 HA ILE A 27 42.482 25.272 23.569 1.00 0.00 H new ATOM 0 HB ILE A 27 44.505 26.139 25.498 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.070 24.042 25.937 1.00 0.00 H new ATOM 0 HG13 ILE A 27 43.399 23.546 26.112 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.716 25.277 27.215 1.00 0.00 H new ATOM 0 HG22 ILE A 27 42.107 26.652 26.263 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.624 24.993 25.839 1.00 0.00 H new ATOM 0 HD11 ILE A 27 44.547 22.184 24.445 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.251 23.135 23.681 1.00 0.00 H new ATOM 0 HD13 ILE A 27 44.948 23.639 23.503 1.00 0.00 H new ATOM 440 N TYR A 28 43.593 28.369 24.077 1.00 0.00 N ATOM 441 CA TYR A 28 43.274 29.763 24.100 1.00 0.00 C ATOM 442 C TYR A 28 42.350 30.202 23.017 1.00 0.00 C ATOM 443 O TYR A 28 41.396 30.941 23.257 1.00 0.00 O ATOM 444 CB TYR A 28 44.554 30.617 24.046 1.00 0.00 C ATOM 445 CG TYR A 28 44.305 31.974 24.606 1.00 0.00 C ATOM 446 CD1 TYR A 28 44.344 32.154 25.970 1.00 0.00 C ATOM 447 CD2 TYR A 28 43.939 33.023 23.796 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.973 33.358 26.521 1.00 0.00 C ATOM 449 CE2 TYR A 28 43.574 34.229 24.346 1.00 0.00 C ATOM 450 CZ TYR A 28 43.597 34.403 25.710 1.00 0.00 C ATOM 451 OH TYR A 28 43.232 35.636 26.289 1.00 0.00 O ATOM 0 H TYR A 28 44.596 28.201 24.152 1.00 0.00 H new ATOM 0 HA TYR A 28 42.748 29.915 25.043 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.349 30.126 24.608 1.00 0.00 H new ATOM 0 HB3 TYR A 28 44.898 30.701 23.015 1.00 0.00 H new ATOM 0 HD1 TYR A 28 44.667 31.346 26.610 1.00 0.00 H new ATOM 0 HD2 TYR A 28 43.938 32.899 22.723 1.00 0.00 H new ATOM 0 HE1 TYR A 28 43.977 33.483 27.594 1.00 0.00 H new ATOM 0 HE2 TYR A 28 43.268 35.042 23.705 1.00 0.00 H new ATOM 0 HH TYR A 28 43.523 35.657 27.224 1.00 0.00 H new ATOM 461 N ARG A 29 42.586 29.745 21.775 1.00 0.00 N ATOM 462 CA ARG A 29 41.737 30.037 20.662 1.00 0.00 C ATOM 463 C ARG A 29 40.474 29.245 20.653 1.00 0.00 C ATOM 464 O ARG A 29 39.401 29.815 20.469 1.00 0.00 O ATOM 465 CB ARG A 29 42.488 29.888 19.328 1.00 0.00 C ATOM 466 CG ARG A 29 43.588 30.939 19.154 1.00 0.00 C ATOM 467 CD ARG A 29 43.831 31.279 17.682 1.00 0.00 C ATOM 468 NE ARG A 29 44.925 32.289 17.624 1.00 0.00 N ATOM 469 CZ ARG A 29 45.558 32.635 16.464 1.00 0.00 C ATOM 470 NH1 ARG A 29 45.077 32.315 15.227 1.00 0.00 N ATOM 471 NH2 ARG A 29 46.756 33.285 16.515 1.00 0.00 N ATOM 0 H ARG A 29 43.386 29.158 21.538 1.00 0.00 H new ATOM 0 HA ARG A 29 41.443 31.080 20.781 1.00 0.00 H new ATOM 0 HB2 ARG A 29 42.929 28.893 19.272 1.00 0.00 H new ATOM 0 HB3 ARG A 29 41.779 29.969 18.504 1.00 0.00 H new ATOM 0 HG2 ARG A 29 43.312 31.845 19.694 1.00 0.00 H new ATOM 0 HG3 ARG A 29 44.513 30.572 19.598 1.00 0.00 H new ATOM 0 HD2 ARG A 29 44.107 30.384 17.124 1.00 0.00 H new ATOM 0 HD3 ARG A 29 42.923 31.673 17.226 1.00 0.00 H new ATOM 0 HE ARG A 29 45.215 32.743 18.490 1.00 0.00 H new ATOM 0 HH11 ARG A 29 44.205 31.793 15.138 1.00 0.00 H new ATOM 0 HH12 ARG A 29 45.589 32.598 14.392 1.00 0.00 H new ATOM 0 HH21 ARG A 29 47.176 33.511 17.417 1.00 0.00 H new ATOM 0 HH22 ARG A 29 47.232 33.545 15.651 1.00 0.00 H new ATOM 485 N SER A 30 40.519 27.915 20.849 1.00 0.00 N ATOM 486 CA SER A 30 39.369 27.072 20.733 1.00 0.00 C ATOM 487 C SER A 30 38.370 27.240 21.827 1.00 0.00 C ATOM 488 O SER A 30 37.171 27.131 21.575 1.00 0.00 O ATOM 489 CB SER A 30 39.700 25.575 20.618 1.00 0.00 C ATOM 490 OG SER A 30 40.291 25.272 19.362 1.00 0.00 O ATOM 0 H SER A 30 41.373 27.414 21.093 1.00 0.00 H new ATOM 0 HA SER A 30 38.928 27.416 19.797 1.00 0.00 H new ATOM 0 HB2 SER A 30 40.379 25.288 21.421 1.00 0.00 H new ATOM 0 HB3 SER A 30 38.790 24.988 20.745 1.00 0.00 H new ATOM 0 HG SER A 30 40.492 24.314 19.318 1.00 0.00 H new ATOM 496 N PHE A 31 38.798 27.554 23.063 1.00 0.00 N ATOM 497 CA PHE A 31 37.974 27.846 24.193 1.00 0.00 C ATOM 498 C PHE A 31 36.929 28.868 23.901 1.00 0.00 C ATOM 499 O PHE A 31 35.729 28.635 24.041 1.00 0.00 O ATOM 500 CB PHE A 31 38.909 28.280 25.336 1.00 0.00 C ATOM 501 CG PHE A 31 38.320 28.853 26.579 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.092 28.487 27.076 1.00 0.00 C ATOM 503 CD2 PHE A 31 39.055 29.791 27.266 1.00 0.00 C ATOM 504 CE1 PHE A 31 36.587 29.071 28.215 1.00 0.00 C ATOM 505 CE2 PHE A 31 38.552 30.399 28.391 1.00 0.00 C ATOM 506 CZ PHE A 31 37.314 30.036 28.869 1.00 0.00 C ATOM 0 H PHE A 31 39.792 27.607 23.286 1.00 0.00 H new ATOM 0 HA PHE A 31 37.411 26.957 24.477 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.501 27.411 25.624 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.602 29.018 24.931 1.00 0.00 H new ATOM 0 HD1 PHE A 31 36.515 27.730 26.565 1.00 0.00 H new ATOM 0 HD2 PHE A 31 40.042 30.054 26.916 1.00 0.00 H new ATOM 0 HE1 PHE A 31 35.621 28.771 28.594 1.00 0.00 H new ATOM 0 HE2 PHE A 31 39.127 31.160 28.898 1.00 0.00 H new ATOM 0 HZ PHE A 31 36.915 30.508 29.755 1.00 0.00 H new ATOM 516 N LEU A 32 37.358 30.050 23.427 1.00 0.00 N ATOM 517 CA LEU A 32 36.507 31.159 23.125 1.00 0.00 C ATOM 518 C LEU A 32 35.638 30.908 21.941 1.00 0.00 C ATOM 519 O LEU A 32 34.482 31.326 21.889 1.00 0.00 O ATOM 520 CB LEU A 32 37.312 32.409 22.733 1.00 0.00 C ATOM 521 CG LEU A 32 38.606 32.606 23.540 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.541 33.525 22.736 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.306 33.094 24.968 1.00 0.00 C ATOM 0 H LEU A 32 38.343 30.242 23.246 1.00 0.00 H new ATOM 0 HA LEU A 32 35.925 31.301 24.036 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.564 32.348 21.674 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.681 33.288 22.860 1.00 0.00 H new ATOM 0 HG LEU A 32 39.123 31.657 23.684 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.466 33.678 23.291 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.767 33.063 21.775 1.00 0.00 H new ATOM 0 HD13 LEU A 32 39.053 34.486 22.571 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.241 33.223 25.512 1.00 0.00 H new ATOM 0 HD22 LEU A 32 37.777 34.046 24.924 1.00 0.00 H new ATOM 0 HD23 LEU A 32 37.686 32.359 25.481 1.00 0.00 H new ATOM 535 N GLU A 33 36.201 30.239 20.918 1.00 0.00 N ATOM 536 CA GLU A 33 35.496 29.760 19.771 1.00 0.00 C ATOM 537 C GLU A 33 34.267 28.970 20.064 1.00 0.00 C ATOM 538 O GLU A 33 33.215 29.193 19.466 1.00 0.00 O ATOM 539 CB GLU A 33 36.473 28.994 18.862 1.00 0.00 C ATOM 540 CG GLU A 33 36.132 29.115 17.375 1.00 0.00 C ATOM 541 CD GLU A 33 35.559 27.831 16.793 1.00 0.00 C ATOM 542 OE1 GLU A 33 36.359 26.882 16.575 1.00 0.00 O ATOM 543 OE2 GLU A 33 34.332 27.769 16.516 1.00 0.00 O ATOM 0 H GLU A 33 37.197 30.022 20.891 1.00 0.00 H new ATOM 0 HA GLU A 33 35.111 30.638 19.253 1.00 0.00 H new ATOM 0 HB2 GLU A 33 37.483 29.368 19.028 1.00 0.00 H new ATOM 0 HB3 GLU A 33 36.472 27.941 19.144 1.00 0.00 H new ATOM 0 HG2 GLU A 33 35.414 29.923 17.237 1.00 0.00 H new ATOM 0 HG3 GLU A 33 37.031 29.389 16.822 1.00 0.00 H new ATOM 550 N ILE A 34 34.299 28.076 21.067 1.00 0.00 N ATOM 551 CA ILE A 34 33.152 27.410 21.603 1.00 0.00 C ATOM 552 C ILE A 34 32.202 28.368 22.236 1.00 0.00 C ATOM 553 O ILE A 34 31.013 28.358 21.923 1.00 0.00 O ATOM 554 CB ILE A 34 33.551 26.325 22.557 1.00 0.00 C ATOM 555 CG1 ILE A 34 34.492 25.301 21.899 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.297 25.596 23.067 1.00 0.00 C ATOM 557 CD1 ILE A 34 35.450 24.644 22.893 1.00 0.00 C ATOM 0 H ILE A 34 35.167 27.804 21.527 1.00 0.00 H new ATOM 0 HA ILE A 34 32.629 26.943 20.769 1.00 0.00 H new ATOM 0 HB ILE A 34 34.082 26.795 23.385 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.896 24.529 21.413 1.00 0.00 H new ATOM 0 HG13 ILE A 34 35.070 25.796 21.119 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.591 24.808 23.760 1.00 0.00 H new ATOM 0 HG22 ILE A 34 31.647 26.305 23.579 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.763 25.157 22.224 1.00 0.00 H new ATOM 0 HD11 ILE A 34 36.087 23.932 22.368 1.00 0.00 H new ATOM 0 HD12 ILE A 34 36.069 25.409 23.361 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.877 24.122 23.659 1.00 0.00 H new ATOM 569 N LEU A 35 32.638 29.289 23.113 1.00 0.00 N ATOM 570 CA LEU A 35 31.763 30.260 23.695 1.00 0.00 C ATOM 571 C LEU A 35 31.123 31.189 22.722 1.00 0.00 C ATOM 572 O LEU A 35 29.998 31.645 22.921 1.00 0.00 O ATOM 573 CB LEU A 35 32.488 31.109 24.752 1.00 0.00 C ATOM 574 CG LEU A 35 33.431 30.380 25.723 1.00 0.00 C ATOM 575 CD1 LEU A 35 33.507 31.171 27.040 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.043 28.978 26.224 1.00 0.00 C ATOM 0 H LEU A 35 33.607 29.362 23.422 1.00 0.00 H new ATOM 0 HA LEU A 35 30.973 29.659 24.145 1.00 0.00 H new ATOM 0 HB2 LEU A 35 33.066 31.873 24.231 1.00 0.00 H new ATOM 0 HB3 LEU A 35 31.733 31.628 25.342 1.00 0.00 H new ATOM 0 HG LEU A 35 34.332 30.295 25.116 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.174 30.660 27.734 1.00 0.00 H new ATOM 0 HD12 LEU A 35 33.888 32.173 26.841 1.00 0.00 H new ATOM 0 HD13 LEU A 35 32.512 31.242 27.480 1.00 0.00 H new ATOM 0 HD21 LEU A 35 33.814 28.607 26.899 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.092 29.031 26.754 1.00 0.00 H new ATOM 0 HD23 LEU A 35 32.948 28.302 25.375 1.00 0.00 H new ATOM 588 N HIS A 36 31.790 31.498 21.595 1.00 0.00 N ATOM 589 CA HIS A 36 31.305 32.264 20.489 1.00 0.00 C ATOM 590 C HIS A 36 30.230 31.601 19.698 1.00 0.00 C ATOM 591 O HIS A 36 29.514 32.275 18.960 1.00 0.00 O ATOM 592 CB HIS A 36 32.416 32.735 19.536 1.00 0.00 C ATOM 593 CG HIS A 36 33.339 33.771 20.106 1.00 0.00 C ATOM 594 ND1 HIS A 36 32.956 35.060 20.366 1.00 0.00 N ATOM 595 CD2 HIS A 36 34.676 33.715 20.349 1.00 0.00 C ATOM 596 CE1 HIS A 36 34.005 35.758 20.761 1.00 0.00 C ATOM 597 NE2 HIS A 36 35.061 34.966 20.755 1.00 0.00 N ATOM 0 H HIS A 36 32.749 31.184 21.447 1.00 0.00 H new ATOM 0 HA HIS A 36 30.866 33.135 20.976 1.00 0.00 H new ATOM 0 HB2 HIS A 36 33.006 31.870 19.234 1.00 0.00 H new ATOM 0 HB3 HIS A 36 31.955 33.137 18.634 1.00 0.00 H new ATOM 0 HD2 HIS A 36 35.313 32.849 20.242 1.00 0.00 H new ATOM 0 HE1 HIS A 36 34.000 36.801 21.042 1.00 0.00 H new ATOM 0 HE2 HIS A 36 36.009 35.241 21.011 1.00 0.00 H new ATOM 606 N THR A 37 30.009 30.279 19.822 1.00 0.00 N ATOM 607 CA THR A 37 28.822 29.609 19.387 1.00 0.00 C ATOM 608 C THR A 37 27.645 30.092 20.162 1.00 0.00 C ATOM 609 O THR A 37 26.639 30.518 19.598 1.00 0.00 O ATOM 610 CB THR A 37 28.938 28.120 19.523 1.00 0.00 C ATOM 611 OG1 THR A 37 29.902 27.623 18.605 1.00 0.00 O ATOM 612 CG2 THR A 37 27.639 27.353 19.225 1.00 0.00 C ATOM 0 H THR A 37 30.690 29.648 20.245 1.00 0.00 H new ATOM 0 HA THR A 37 28.687 29.840 18.330 1.00 0.00 H new ATOM 0 HB THR A 37 29.211 27.958 20.566 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.974 26.650 18.701 1.00 0.00 H new ATOM 0 HG21 THR A 37 27.812 26.284 19.347 1.00 0.00 H new ATOM 0 HG22 THR A 37 26.859 27.676 19.915 1.00 0.00 H new ATOM 0 HG23 THR A 37 27.324 27.555 18.201 1.00 0.00 H new ATOM 620 N TYR A 38 27.743 30.095 21.504 1.00 0.00 N ATOM 621 CA TYR A 38 26.753 30.576 22.417 1.00 0.00 C ATOM 622 C TYR A 38 26.500 32.039 22.305 1.00 0.00 C ATOM 623 O TYR A 38 25.393 32.492 22.019 1.00 0.00 O ATOM 624 CB TYR A 38 27.206 30.166 23.829 1.00 0.00 C ATOM 625 CG TYR A 38 26.648 30.922 24.985 1.00 0.00 C ATOM 626 CD1 TYR A 38 25.311 30.884 25.304 1.00 0.00 C ATOM 627 CD2 TYR A 38 27.507 31.709 25.716 1.00 0.00 C ATOM 628 CE1 TYR A 38 24.827 31.669 26.324 1.00 0.00 C ATOM 629 CE2 TYR A 38 27.018 32.522 26.711 1.00 0.00 C ATOM 630 CZ TYR A 38 25.677 32.501 27.016 1.00 0.00 C ATOM 631 OH TYR A 38 25.201 33.321 28.061 1.00 0.00 O ATOM 0 H TYR A 38 28.570 29.737 21.982 1.00 0.00 H new ATOM 0 HA TYR A 38 25.789 30.128 22.176 1.00 0.00 H new ATOM 0 HB2 TYR A 38 26.960 29.113 23.967 1.00 0.00 H new ATOM 0 HB3 TYR A 38 28.292 30.247 23.869 1.00 0.00 H new ATOM 0 HD1 TYR A 38 24.642 30.239 24.754 1.00 0.00 H new ATOM 0 HD2 TYR A 38 28.567 31.688 25.508 1.00 0.00 H new ATOM 0 HE1 TYR A 38 23.779 31.633 26.582 1.00 0.00 H new ATOM 0 HE2 TYR A 38 27.686 33.176 27.252 1.00 0.00 H new ATOM 0 HH TYR A 38 25.944 33.839 28.435 1.00 0.00 H new ATOM 641 N GLN A 39 27.555 32.842 22.539 1.00 0.00 N ATOM 642 CA GLN A 39 27.500 34.248 22.793 1.00 0.00 C ATOM 643 C GLN A 39 27.056 35.084 21.642 1.00 0.00 C ATOM 644 O GLN A 39 26.607 36.214 21.829 1.00 0.00 O ATOM 645 CB GLN A 39 28.875 34.672 23.335 1.00 0.00 C ATOM 646 CG GLN A 39 28.863 35.937 24.195 1.00 0.00 C ATOM 647 CD GLN A 39 29.019 37.215 23.385 1.00 0.00 C ATOM 648 OE1 GLN A 39 29.554 37.227 22.277 1.00 0.00 O ATOM 649 NE2 GLN A 39 28.557 38.361 23.954 1.00 0.00 N ATOM 0 H GLN A 39 28.510 32.483 22.551 1.00 0.00 H new ATOM 0 HA GLN A 39 26.717 34.429 23.530 1.00 0.00 H new ATOM 0 HB2 GLN A 39 29.286 33.853 23.925 1.00 0.00 H new ATOM 0 HB3 GLN A 39 29.549 34.828 22.493 1.00 0.00 H new ATOM 0 HG2 GLN A 39 27.928 35.980 24.753 1.00 0.00 H new ATOM 0 HG3 GLN A 39 29.668 35.878 24.927 1.00 0.00 H new ATOM 0 HE21 GLN A 39 28.116 38.332 24.873 1.00 0.00 H new ATOM 0 HE22 GLN A 39 28.651 39.249 23.461 1.00 0.00 H new ATOM 898 N SER A 54 22.167 25.093 25.123 1.00 0.00 N ATOM 899 CA SER A 54 22.386 24.790 26.503 1.00 0.00 C ATOM 900 C SER A 54 23.776 25.148 26.902 1.00 0.00 C ATOM 901 O SER A 54 24.747 24.977 26.166 1.00 0.00 O ATOM 902 CB SER A 54 22.046 23.330 26.848 1.00 0.00 C ATOM 903 OG SER A 54 22.928 22.368 26.289 1.00 0.00 O ATOM 0 HA SER A 54 21.698 25.402 27.086 1.00 0.00 H new ATOM 0 HB2 SER A 54 22.047 23.217 27.932 1.00 0.00 H new ATOM 0 HB3 SER A 54 21.033 23.116 26.506 1.00 0.00 H new ATOM 0 HG SER A 54 22.644 21.469 26.557 1.00 0.00 H new ATOM 909 N GLU A 55 23.934 25.659 28.136 1.00 0.00 N ATOM 910 CA GLU A 55 25.170 26.065 28.729 1.00 0.00 C ATOM 911 C GLU A 55 26.033 24.890 29.034 1.00 0.00 C ATOM 912 O GLU A 55 27.257 24.980 29.114 1.00 0.00 O ATOM 913 CB GLU A 55 24.890 27.014 29.905 1.00 0.00 C ATOM 914 CG GLU A 55 23.866 28.070 29.481 1.00 0.00 C ATOM 915 CD GLU A 55 23.726 29.254 30.426 1.00 0.00 C ATOM 916 OE1 GLU A 55 24.607 30.156 30.413 1.00 0.00 O ATOM 917 OE2 GLU A 55 22.679 29.326 31.124 1.00 0.00 O ATOM 0 H GLU A 55 23.141 25.798 28.763 1.00 0.00 H new ATOM 0 HA GLU A 55 25.765 26.644 28.023 1.00 0.00 H new ATOM 0 HB2 GLU A 55 24.514 26.450 30.759 1.00 0.00 H new ATOM 0 HB3 GLU A 55 25.814 27.496 30.224 1.00 0.00 H new ATOM 0 HG2 GLU A 55 24.141 28.444 28.495 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.893 27.589 29.380 1.00 0.00 H new ATOM 924 N GLU A 56 25.409 23.700 29.087 1.00 0.00 N ATOM 925 CA GLU A 56 26.020 22.407 29.042 1.00 0.00 C ATOM 926 C GLU A 56 26.829 22.104 27.827 1.00 0.00 C ATOM 927 O GLU A 56 27.809 21.370 27.951 1.00 0.00 O ATOM 928 CB GLU A 56 24.960 21.296 29.131 1.00 0.00 C ATOM 929 CG GLU A 56 24.179 21.208 30.443 1.00 0.00 C ATOM 930 CD GLU A 56 25.031 20.823 31.644 1.00 0.00 C ATOM 931 OE1 GLU A 56 25.831 19.853 31.557 1.00 0.00 O ATOM 932 OE2 GLU A 56 24.876 21.471 32.714 1.00 0.00 O ATOM 0 H GLU A 56 24.394 23.638 29.168 1.00 0.00 H new ATOM 0 HA GLU A 56 26.696 22.433 29.897 1.00 0.00 H new ATOM 0 HB2 GLU A 56 24.248 21.437 28.318 1.00 0.00 H new ATOM 0 HB3 GLU A 56 25.453 20.339 28.961 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.707 22.171 30.639 1.00 0.00 H new ATOM 0 HG3 GLU A 56 23.378 20.478 30.329 1.00 0.00 H new ATOM 939 N GLU A 57 26.500 22.578 26.613 1.00 0.00 N ATOM 940 CA GLU A 57 27.186 22.143 25.436 1.00 0.00 C ATOM 941 C GLU A 57 28.433 22.938 25.258 1.00 0.00 C ATOM 942 O GLU A 57 29.496 22.444 24.883 1.00 0.00 O ATOM 943 CB GLU A 57 26.364 22.097 24.136 1.00 0.00 C ATOM 944 CG GLU A 57 26.638 23.195 23.107 1.00 0.00 C ATOM 945 CD GLU A 57 25.891 22.916 21.810 1.00 0.00 C ATOM 946 OE1 GLU A 57 24.631 22.916 21.814 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.546 22.682 20.759 1.00 0.00 O ATOM 0 H GLU A 57 25.761 23.261 26.446 1.00 0.00 H new ATOM 0 HA GLU A 57 27.416 21.093 25.620 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.538 21.133 23.658 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.307 22.136 24.401 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.332 24.161 23.508 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.708 23.257 22.910 1.00 0.00 H new ATOM 954 N VAL A 58 28.332 24.239 25.581 1.00 0.00 N ATOM 955 CA VAL A 58 29.416 25.169 25.542 1.00 0.00 C ATOM 956 C VAL A 58 30.475 24.738 26.498 1.00 0.00 C ATOM 957 O VAL A 58 31.668 24.720 26.202 1.00 0.00 O ATOM 958 CB VAL A 58 28.861 26.559 25.643 1.00 0.00 C ATOM 959 CG1 VAL A 58 28.842 27.174 27.053 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.666 27.523 24.755 1.00 0.00 C ATOM 0 H VAL A 58 27.454 24.662 25.883 1.00 0.00 H new ATOM 0 HA VAL A 58 29.954 25.186 24.594 1.00 0.00 H new ATOM 0 HB VAL A 58 27.826 26.442 25.323 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.421 28.178 27.006 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.232 26.555 27.712 1.00 0.00 H new ATOM 0 HG13 VAL A 58 29.859 27.225 27.442 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.251 28.527 24.839 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.707 27.532 25.078 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.611 27.194 23.717 1.00 0.00 H new ATOM 970 N PHE A 59 30.038 24.256 27.676 1.00 0.00 N ATOM 971 CA PHE A 59 30.793 23.547 28.662 1.00 0.00 C ATOM 972 C PHE A 59 31.416 22.292 28.156 1.00 0.00 C ATOM 973 O PHE A 59 32.622 22.101 28.304 1.00 0.00 O ATOM 974 CB PHE A 59 29.896 23.271 29.880 1.00 0.00 C ATOM 975 CG PHE A 59 30.503 22.945 31.201 1.00 0.00 C ATOM 976 CD1 PHE A 59 31.836 22.698 31.435 1.00 0.00 C ATOM 977 CD2 PHE A 59 29.629 22.876 32.259 1.00 0.00 C ATOM 978 CE1 PHE A 59 32.279 22.353 32.689 1.00 0.00 C ATOM 979 CE2 PHE A 59 30.064 22.557 33.525 1.00 0.00 C ATOM 980 CZ PHE A 59 31.395 22.287 33.741 1.00 0.00 C ATOM 0 H PHE A 59 29.066 24.375 27.962 1.00 0.00 H new ATOM 0 HA PHE A 59 31.631 24.183 28.948 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.266 24.149 30.022 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.237 22.444 29.615 1.00 0.00 H new ATOM 0 HD1 PHE A 59 32.543 22.776 30.623 1.00 0.00 H new ATOM 0 HD2 PHE A 59 28.581 23.076 32.094 1.00 0.00 H new ATOM 0 HE1 PHE A 59 33.324 22.133 32.849 1.00 0.00 H new ATOM 0 HE2 PHE A 59 29.363 22.519 34.346 1.00 0.00 H new ATOM 0 HZ PHE A 59 31.744 22.025 34.729 1.00 0.00 H new ATOM 990 N THR A 60 30.646 21.395 27.514 1.00 0.00 N ATOM 991 CA THR A 60 31.049 20.136 26.967 1.00 0.00 C ATOM 992 C THR A 60 32.325 20.159 26.198 1.00 0.00 C ATOM 993 O THR A 60 33.201 19.316 26.389 1.00 0.00 O ATOM 994 CB THR A 60 29.982 19.405 26.209 1.00 0.00 C ATOM 995 OG1 THR A 60 29.856 18.059 26.645 1.00 0.00 O ATOM 996 CG2 THR A 60 30.178 19.313 24.686 1.00 0.00 C ATOM 0 H THR A 60 29.652 21.568 27.365 1.00 0.00 H new ATOM 0 HA THR A 60 31.243 19.559 27.871 1.00 0.00 H new ATOM 0 HB THR A 60 29.102 20.014 26.417 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.151 17.613 26.131 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.346 18.764 24.245 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.215 20.317 24.263 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.111 18.793 24.470 1.00 0.00 H new ATOM 1004 N GLU A 61 32.499 21.152 25.308 1.00 0.00 N ATOM 1005 CA GLU A 61 33.701 21.251 24.540 1.00 0.00 C ATOM 1006 C GLU A 61 34.846 21.714 25.373 1.00 0.00 C ATOM 1007 O GLU A 61 35.812 20.964 25.503 1.00 0.00 O ATOM 1008 CB GLU A 61 33.511 21.974 23.196 1.00 0.00 C ATOM 1009 CG GLU A 61 32.430 21.361 22.304 1.00 0.00 C ATOM 1010 CD GLU A 61 32.786 21.466 20.828 1.00 0.00 C ATOM 1011 OE1 GLU A 61 33.547 20.580 20.354 1.00 0.00 O ATOM 1012 OE2 GLU A 61 32.317 22.391 20.111 1.00 0.00 O ATOM 0 H GLU A 61 31.812 21.882 25.121 1.00 0.00 H new ATOM 0 HA GLU A 61 33.978 20.245 24.226 1.00 0.00 H new ATOM 0 HB2 GLU A 61 33.259 23.017 23.389 1.00 0.00 H new ATOM 0 HB3 GLU A 61 34.458 21.969 22.656 1.00 0.00 H new ATOM 0 HG2 GLU A 61 32.291 20.313 22.570 1.00 0.00 H new ATOM 0 HG3 GLU A 61 31.481 21.865 22.485 1.00 0.00 H new ATOM 1019 N VAL A 62 34.771 22.872 26.053 1.00 0.00 N ATOM 1020 CA VAL A 62 35.780 23.473 26.869 1.00 0.00 C ATOM 1021 C VAL A 62 36.446 22.566 27.844 1.00 0.00 C ATOM 1022 O VAL A 62 37.653 22.611 28.078 1.00 0.00 O ATOM 1023 CB VAL A 62 35.173 24.623 27.618 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.166 25.288 28.584 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.739 25.657 26.564 1.00 0.00 C ATOM 0 H VAL A 62 33.923 23.439 26.028 1.00 0.00 H new ATOM 0 HA VAL A 62 36.564 23.784 26.179 1.00 0.00 H new ATOM 0 HB VAL A 62 34.341 24.257 28.219 1.00 0.00 H new ATOM 0 HG11 VAL A 62 35.675 26.113 29.099 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.508 24.556 29.315 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.020 25.667 28.023 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.289 26.517 27.061 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.609 25.982 25.993 1.00 0.00 H new ATOM 0 HG23 VAL A 62 34.011 25.206 25.890 1.00 0.00 H new ATOM 1035 N ALA A 63 35.661 21.633 28.412 1.00 0.00 N ATOM 1036 CA ALA A 63 36.112 20.649 29.346 1.00 0.00 C ATOM 1037 C ALA A 63 37.151 19.749 28.771 1.00 0.00 C ATOM 1038 O ALA A 63 38.146 19.435 29.421 1.00 0.00 O ATOM 1039 CB ALA A 63 34.939 19.784 29.833 1.00 0.00 C ATOM 0 H ALA A 63 34.664 21.562 28.210 1.00 0.00 H new ATOM 0 HA ALA A 63 36.551 21.200 30.178 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.304 19.042 30.543 1.00 0.00 H new ATOM 0 HB2 ALA A 63 34.197 20.417 30.320 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.482 19.278 28.982 1.00 0.00 H new ATOM 1045 N ASN A 64 36.992 19.338 27.500 1.00 0.00 N ATOM 1046 CA ASN A 64 37.910 18.430 26.883 1.00 0.00 C ATOM 1047 C ASN A 64 39.212 19.059 26.527 1.00 0.00 C ATOM 1048 O ASN A 64 40.264 18.421 26.543 1.00 0.00 O ATOM 1049 CB ASN A 64 37.282 17.591 25.758 1.00 0.00 C ATOM 1050 CG ASN A 64 37.233 18.210 24.368 1.00 0.00 C ATOM 1051 OD1 ASN A 64 38.239 18.310 23.668 1.00 0.00 O ATOM 1052 ND2 ASN A 64 36.016 18.595 23.898 1.00 0.00 N ATOM 0 H ASN A 64 36.225 19.636 26.897 1.00 0.00 H new ATOM 0 HA ASN A 64 38.161 17.700 27.653 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.832 16.653 25.690 1.00 0.00 H new ATOM 0 HB3 ASN A 64 36.262 17.342 26.052 1.00 0.00 H new ATOM 0 HD21 ASN A 64 35.930 18.972 22.954 1.00 0.00 H new ATOM 0 HD22 ASN A 64 35.190 18.507 24.489 1.00 0.00 H new ATOM 1059 N LEU A 65 39.196 20.374 26.242 1.00 0.00 N ATOM 1060 CA LEU A 65 40.348 21.201 26.055 1.00 0.00 C ATOM 1061 C LEU A 65 41.206 21.278 27.270 1.00 0.00 C ATOM 1062 O LEU A 65 42.435 21.258 27.217 1.00 0.00 O ATOM 1063 CB LEU A 65 40.003 22.651 25.680 1.00 0.00 C ATOM 1064 CG LEU A 65 39.413 22.889 24.280 1.00 0.00 C ATOM 1065 CD1 LEU A 65 38.031 22.235 24.118 1.00 0.00 C ATOM 1066 CD2 LEU A 65 39.283 24.401 24.032 1.00 0.00 C ATOM 0 H LEU A 65 38.323 20.891 26.136 1.00 0.00 H new ATOM 0 HA LEU A 65 40.877 20.715 25.236 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.294 23.031 26.415 1.00 0.00 H new ATOM 0 HB3 LEU A 65 40.909 23.249 25.772 1.00 0.00 H new ATOM 0 HG LEU A 65 40.088 22.435 23.555 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.652 22.429 23.114 1.00 0.00 H new ATOM 0 HD12 LEU A 65 38.117 21.159 24.272 1.00 0.00 H new ATOM 0 HD13 LEU A 65 37.342 22.653 24.852 1.00 0.00 H new ATOM 0 HD21 LEU A 65 38.865 24.572 23.040 1.00 0.00 H new ATOM 0 HD22 LEU A 65 38.625 24.838 24.783 1.00 0.00 H new ATOM 0 HD23 LEU A 65 40.267 24.866 24.096 1.00 0.00 H new ATOM 1078 N PHE A 66 40.549 21.421 28.435 1.00 0.00 N ATOM 1079 CA PHE A 66 41.168 21.788 29.671 1.00 0.00 C ATOM 1080 C PHE A 66 41.616 20.591 30.437 1.00 0.00 C ATOM 1081 O PHE A 66 42.564 20.651 31.220 1.00 0.00 O ATOM 1082 CB PHE A 66 40.210 22.596 30.561 1.00 0.00 C ATOM 1083 CG PHE A 66 39.947 24.001 30.141 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.309 24.534 28.927 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.282 24.808 31.033 1.00 0.00 C ATOM 1086 CE1 PHE A 66 39.996 25.831 28.593 1.00 0.00 C ATOM 1087 CE2 PHE A 66 38.979 26.114 30.726 1.00 0.00 C ATOM 1088 CZ PHE A 66 39.334 26.625 29.500 1.00 0.00 C ATOM 0 H PHE A 66 39.543 21.275 28.519 1.00 0.00 H new ATOM 0 HA PHE A 66 42.032 22.399 29.409 1.00 0.00 H new ATOM 0 HB2 PHE A 66 39.257 22.068 30.606 1.00 0.00 H new ATOM 0 HB3 PHE A 66 40.614 22.611 31.573 1.00 0.00 H new ATOM 0 HD1 PHE A 66 40.850 23.922 28.221 1.00 0.00 H new ATOM 0 HD2 PHE A 66 38.992 24.409 31.994 1.00 0.00 H new ATOM 0 HE1 PHE A 66 40.268 26.223 27.624 1.00 0.00 H new ATOM 0 HE2 PHE A 66 38.465 26.735 31.444 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.094 27.648 29.250 1.00 0.00 H new ATOM 1098 N ARG A 67 40.919 19.464 30.208 1.00 0.00 N ATOM 1099 CA ARG A 67 40.979 18.183 30.840 1.00 0.00 C ATOM 1100 C ARG A 67 42.280 17.734 31.412 1.00 0.00 C ATOM 1101 O ARG A 67 43.260 17.438 30.731 1.00 0.00 O ATOM 1102 CB ARG A 67 40.405 17.137 29.870 1.00 0.00 C ATOM 1103 CG ARG A 67 39.186 16.380 30.401 1.00 0.00 C ATOM 1104 CD ARG A 67 39.505 15.337 31.472 1.00 0.00 C ATOM 1105 NE ARG A 67 38.196 14.773 31.907 1.00 0.00 N ATOM 1106 CZ ARG A 67 38.049 13.694 32.729 1.00 0.00 C ATOM 1107 NH1 ARG A 67 39.117 13.033 33.264 1.00 0.00 N ATOM 1108 NH2 ARG A 67 36.777 13.299 33.027 1.00 0.00 N ATOM 0 H ARG A 67 40.213 19.457 29.472 1.00 0.00 H new ATOM 0 HA ARG A 67 40.379 18.295 31.743 1.00 0.00 H new ATOM 0 HB2 ARG A 67 40.131 17.635 28.940 1.00 0.00 H new ATOM 0 HB3 ARG A 67 41.187 16.417 29.628 1.00 0.00 H new ATOM 0 HG2 ARG A 67 38.478 17.100 30.812 1.00 0.00 H new ATOM 0 HG3 ARG A 67 38.689 15.885 29.566 1.00 0.00 H new ATOM 0 HD2 ARG A 67 40.152 14.556 31.074 1.00 0.00 H new ATOM 0 HD3 ARG A 67 40.032 15.790 32.312 1.00 0.00 H new ATOM 0 HE ARG A 67 37.349 15.226 31.565 1.00 0.00 H new ATOM 0 HH11 ARG A 67 40.066 13.342 33.053 1.00 0.00 H new ATOM 0 HH12 ARG A 67 38.966 12.230 33.875 1.00 0.00 H new ATOM 0 HH21 ARG A 67 35.981 13.806 32.639 1.00 0.00 H new ATOM 0 HH22 ARG A 67 36.622 12.497 33.638 1.00 0.00 H new ATOM 1122 N GLY A 68 42.312 17.679 32.755 1.00 0.00 N ATOM 1123 CA GLY A 68 43.489 17.535 33.555 1.00 0.00 C ATOM 1124 C GLY A 68 43.461 18.544 34.650 1.00 0.00 C ATOM 1125 O GLY A 68 43.770 18.239 35.801 1.00 0.00 O ATOM 0 H GLY A 68 41.463 17.739 33.317 1.00 0.00 H new ATOM 0 HA2 GLY A 68 43.539 16.529 33.972 1.00 0.00 H new ATOM 0 HA3 GLY A 68 44.380 17.671 32.941 1.00 0.00 H new ATOM 1129 N GLN A 69 43.095 19.797 34.322 1.00 0.00 N ATOM 1130 CA GLN A 69 43.019 20.867 35.268 1.00 0.00 C ATOM 1131 C GLN A 69 41.638 21.077 35.786 1.00 0.00 C ATOM 1132 O GLN A 69 40.794 21.709 35.152 1.00 0.00 O ATOM 1133 CB GLN A 69 43.565 22.189 34.702 1.00 0.00 C ATOM 1134 CG GLN A 69 45.052 22.102 34.351 1.00 0.00 C ATOM 1135 CD GLN A 69 45.679 23.487 34.269 1.00 0.00 C ATOM 1136 OE1 GLN A 69 46.421 23.903 35.158 1.00 0.00 O ATOM 1137 NE2 GLN A 69 45.388 24.237 33.174 1.00 0.00 N ATOM 0 H GLN A 69 42.845 20.073 33.372 1.00 0.00 H new ATOM 0 HA GLN A 69 43.652 20.559 36.100 1.00 0.00 H new ATOM 0 HB2 GLN A 69 42.999 22.461 33.811 1.00 0.00 H new ATOM 0 HB3 GLN A 69 43.412 22.984 35.432 1.00 0.00 H new ATOM 0 HG2 GLN A 69 45.572 21.508 35.103 1.00 0.00 H new ATOM 0 HG3 GLN A 69 45.174 21.587 33.398 1.00 0.00 H new ATOM 0 HE21 GLN A 69 44.770 23.867 32.452 1.00 0.00 H new ATOM 0 HE22 GLN A 69 45.788 25.170 33.074 1.00 0.00 H new ATOM 1146 N GLU A 70 41.372 20.575 37.004 1.00 0.00 N ATOM 1147 CA GLU A 70 40.083 20.576 37.622 1.00 0.00 C ATOM 1148 C GLU A 70 39.694 21.910 38.161 1.00 0.00 C ATOM 1149 O GLU A 70 38.527 22.297 38.148 1.00 0.00 O ATOM 1150 CB GLU A 70 40.035 19.522 38.741 1.00 0.00 C ATOM 1151 CG GLU A 70 40.969 19.749 39.932 1.00 0.00 C ATOM 1152 CD GLU A 70 40.936 18.616 40.948 1.00 0.00 C ATOM 1153 OE1 GLU A 70 40.382 17.525 40.649 1.00 0.00 O ATOM 1154 OE2 GLU A 70 41.472 18.793 42.074 1.00 0.00 O ATOM 0 H GLU A 70 42.092 20.147 37.587 1.00 0.00 H new ATOM 0 HA GLU A 70 39.361 20.328 36.844 1.00 0.00 H new ATOM 0 HB2 GLU A 70 39.013 19.467 39.115 1.00 0.00 H new ATOM 0 HB3 GLU A 70 40.268 18.550 38.305 1.00 0.00 H new ATOM 0 HG2 GLU A 70 41.989 19.871 39.567 1.00 0.00 H new ATOM 0 HG3 GLU A 70 40.695 20.680 40.428 1.00 0.00 H new ATOM 1161 N ASP A 71 40.687 22.694 38.619 1.00 0.00 N ATOM 1162 CA ASP A 71 40.543 23.964 39.260 1.00 0.00 C ATOM 1163 C ASP A 71 39.916 24.981 38.370 1.00 0.00 C ATOM 1164 O ASP A 71 39.121 25.819 38.792 1.00 0.00 O ATOM 1165 CB ASP A 71 41.947 24.364 39.742 1.00 0.00 C ATOM 1166 CG ASP A 71 41.938 25.459 40.799 1.00 0.00 C ATOM 1167 OD1 ASP A 71 41.188 25.340 41.804 1.00 0.00 O ATOM 1168 OD2 ASP A 71 42.731 26.428 40.656 1.00 0.00 O ATOM 0 H ASP A 71 41.665 22.417 38.534 1.00 0.00 H new ATOM 0 HA ASP A 71 39.858 23.901 40.106 1.00 0.00 H new ATOM 0 HB2 ASP A 71 42.448 23.484 40.146 1.00 0.00 H new ATOM 0 HB3 ASP A 71 42.534 24.700 38.887 1.00 0.00 H new ATOM 1173 N LEU A 72 40.186 24.902 37.054 1.00 0.00 N ATOM 1174 CA LEU A 72 39.579 25.766 36.090 1.00 0.00 C ATOM 1175 C LEU A 72 38.121 25.534 35.885 1.00 0.00 C ATOM 1176 O LEU A 72 37.344 26.486 35.840 1.00 0.00 O ATOM 1177 CB LEU A 72 40.309 25.674 34.739 1.00 0.00 C ATOM 1178 CG LEU A 72 41.816 25.972 34.805 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.364 25.854 33.373 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.167 27.357 35.373 1.00 0.00 C ATOM 0 H LEU A 72 40.837 24.227 36.653 1.00 0.00 H new ATOM 0 HA LEU A 72 39.676 26.768 36.508 1.00 0.00 H new ATOM 0 HB2 LEU A 72 40.167 24.673 34.332 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.844 26.371 34.041 1.00 0.00 H new ATOM 0 HG LEU A 72 42.266 25.256 35.492 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.435 26.059 33.375 1.00 0.00 H new ATOM 0 HD12 LEU A 72 42.188 24.846 32.998 1.00 0.00 H new ATOM 0 HD13 LEU A 72 41.858 26.574 32.729 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.250 27.482 35.383 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.718 28.130 34.750 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.782 27.442 36.389 1.00 0.00 H new ATOM 1192 N LEU A 73 37.643 24.282 35.774 1.00 0.00 N ATOM 1193 CA LEU A 73 36.253 24.000 35.593 1.00 0.00 C ATOM 1194 C LEU A 73 35.468 24.199 36.844 1.00 0.00 C ATOM 1195 O LEU A 73 34.260 24.428 36.839 1.00 0.00 O ATOM 1196 CB LEU A 73 35.978 22.573 35.089 1.00 0.00 C ATOM 1197 CG LEU A 73 36.404 22.289 33.639 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.941 23.366 32.644 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.917 22.031 33.548 1.00 0.00 C ATOM 0 H LEU A 73 38.232 23.450 35.811 1.00 0.00 H new ATOM 0 HA LEU A 73 35.935 24.712 34.831 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.492 21.870 35.744 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.910 22.373 35.181 1.00 0.00 H new ATOM 0 HG LEU A 73 35.888 21.377 33.338 1.00 0.00 H new ATOM 0 HD11 LEU A 73 36.276 23.102 31.641 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.853 23.431 32.658 1.00 0.00 H new ATOM 0 HD13 LEU A 73 36.366 24.329 32.927 1.00 0.00 H new ATOM 0 HD21 LEU A 73 38.191 21.833 32.512 1.00 0.00 H new ATOM 0 HD22 LEU A 73 38.458 22.908 33.905 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.177 21.169 34.163 1.00 0.00 H new ATOM 1211 N SER A 74 36.179 24.168 37.986 1.00 0.00 N ATOM 1212 CA SER A 74 35.685 24.523 39.280 1.00 0.00 C ATOM 1213 C SER A 74 35.306 25.962 39.342 1.00 0.00 C ATOM 1214 O SER A 74 34.174 26.295 39.690 1.00 0.00 O ATOM 1215 CB SER A 74 36.676 24.179 40.405 1.00 0.00 C ATOM 1216 OG SER A 74 36.123 24.375 41.698 1.00 0.00 O ATOM 0 H SER A 74 37.157 23.878 38.006 1.00 0.00 H new ATOM 0 HA SER A 74 34.790 23.922 39.441 1.00 0.00 H new ATOM 0 HB2 SER A 74 36.991 23.141 40.302 1.00 0.00 H new ATOM 0 HB3 SER A 74 37.569 24.795 40.299 1.00 0.00 H new ATOM 0 HG SER A 74 36.789 24.142 42.378 1.00 0.00 H new ATOM 1222 N GLU A 75 36.211 26.869 38.931 1.00 0.00 N ATOM 1223 CA GLU A 75 35.938 28.264 38.778 1.00 0.00 C ATOM 1224 C GLU A 75 35.003 28.584 37.663 1.00 0.00 C ATOM 1225 O GLU A 75 34.338 29.619 37.695 1.00 0.00 O ATOM 1226 CB GLU A 75 37.216 29.108 38.632 1.00 0.00 C ATOM 1227 CG GLU A 75 38.063 29.164 39.904 1.00 0.00 C ATOM 1228 CD GLU A 75 39.214 30.158 39.818 1.00 0.00 C ATOM 1229 OE1 GLU A 75 38.955 31.381 39.654 1.00 0.00 O ATOM 1230 OE2 GLU A 75 40.389 29.729 39.967 1.00 0.00 O ATOM 0 H GLU A 75 37.172 26.620 38.696 1.00 0.00 H new ATOM 0 HA GLU A 75 35.439 28.533 39.709 1.00 0.00 H new ATOM 0 HB2 GLU A 75 37.820 28.700 37.821 1.00 0.00 H new ATOM 0 HB3 GLU A 75 36.940 30.123 38.345 1.00 0.00 H new ATOM 0 HG2 GLU A 75 37.424 29.430 40.746 1.00 0.00 H new ATOM 0 HG3 GLU A 75 38.464 28.171 40.109 1.00 0.00 H new ATOM 1237 N PHE A 76 34.829 27.705 36.661 1.00 0.00 N ATOM 1238 CA PHE A 76 33.862 27.858 35.619 1.00 0.00 C ATOM 1239 C PHE A 76 32.464 27.765 36.124 1.00 0.00 C ATOM 1240 O PHE A 76 31.521 28.338 35.579 1.00 0.00 O ATOM 1241 CB PHE A 76 34.120 26.800 34.532 1.00 0.00 C ATOM 1242 CG PHE A 76 33.764 27.205 33.142 1.00 0.00 C ATOM 1243 CD1 PHE A 76 34.348 28.320 32.590 1.00 0.00 C ATOM 1244 CD2 PHE A 76 32.977 26.405 32.348 1.00 0.00 C ATOM 1245 CE1 PHE A 76 34.149 28.641 31.268 1.00 0.00 C ATOM 1246 CE2 PHE A 76 32.742 26.735 31.034 1.00 0.00 C ATOM 1247 CZ PHE A 76 33.319 27.861 30.496 1.00 0.00 C ATOM 0 H PHE A 76 35.384 26.854 36.573 1.00 0.00 H new ATOM 0 HA PHE A 76 33.972 28.857 35.198 1.00 0.00 H new ATOM 0 HB2 PHE A 76 35.176 26.532 34.554 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.558 25.901 34.785 1.00 0.00 H new ATOM 0 HD1 PHE A 76 34.972 28.953 33.203 1.00 0.00 H new ATOM 0 HD2 PHE A 76 32.539 25.508 32.760 1.00 0.00 H new ATOM 0 HE1 PHE A 76 34.641 29.501 30.838 1.00 0.00 H new ATOM 0 HE2 PHE A 76 32.105 26.110 30.425 1.00 0.00 H new ATOM 0 HZ PHE A 76 33.121 28.133 29.470 1.00 0.00 H new ATOM 1257 N GLY A 77 32.310 27.091 37.278 1.00 0.00 N ATOM 1258 CA GLY A 77 31.151 26.939 38.101 1.00 0.00 C ATOM 1259 C GLY A 77 30.565 28.193 38.654 1.00 0.00 C ATOM 1260 O GLY A 77 29.445 28.183 39.162 1.00 0.00 O ATOM 0 H GLY A 77 33.102 26.591 37.681 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.383 26.430 37.519 1.00 0.00 H new ATOM 0 HA3 GLY A 77 31.406 26.284 38.934 1.00 0.00 H new ATOM 1264 N GLN A 78 31.305 29.316 38.628 1.00 0.00 N ATOM 1265 CA GLN A 78 30.920 30.618 39.075 1.00 0.00 C ATOM 1266 C GLN A 78 29.549 31.053 38.687 1.00 0.00 C ATOM 1267 O GLN A 78 28.789 31.584 39.494 1.00 0.00 O ATOM 1268 CB GLN A 78 31.961 31.637 38.584 1.00 0.00 C ATOM 1269 CG GLN A 78 32.098 31.779 37.066 1.00 0.00 C ATOM 1270 CD GLN A 78 33.219 32.705 36.614 1.00 0.00 C ATOM 1271 OE1 GLN A 78 32.982 33.664 35.880 1.00 0.00 O ATOM 1272 NE2 GLN A 78 34.484 32.392 37.001 1.00 0.00 N ATOM 0 H GLN A 78 32.257 29.310 38.261 1.00 0.00 H new ATOM 0 HA GLN A 78 30.888 30.564 40.163 1.00 0.00 H new ATOM 0 HB2 GLN A 78 31.709 32.613 38.999 1.00 0.00 H new ATOM 0 HB3 GLN A 78 32.933 31.359 38.992 1.00 0.00 H new ATOM 0 HG2 GLN A 78 32.265 30.792 36.636 1.00 0.00 H new ATOM 0 HG3 GLN A 78 31.155 32.148 36.662 1.00 0.00 H new ATOM 0 HE21 GLN A 78 34.647 31.590 37.610 1.00 0.00 H new ATOM 0 HE22 GLN A 78 35.270 32.959 36.682 1.00 0.00 H new ATOM 1466 N ASN B 201 27.925 35.893 33.885 1.00 0.00 N ATOM 1467 CA ASN B 201 27.461 34.996 32.874 1.00 0.00 C ATOM 1468 C ASN B 201 28.715 34.477 32.260 1.00 0.00 C ATOM 1469 O ASN B 201 29.804 34.892 32.654 1.00 0.00 O ATOM 1470 CB ASN B 201 26.637 35.676 31.766 1.00 0.00 C ATOM 1471 CG ASN B 201 25.245 36.129 32.182 1.00 0.00 C ATOM 1472 OD1 ASN B 201 24.932 37.318 32.185 1.00 0.00 O ATOM 1473 ND2 ASN B 201 24.341 35.147 32.447 1.00 0.00 N ATOM 0 HA ASN B 201 26.805 34.246 33.316 1.00 0.00 H new ATOM 0 HB2 ASN B 201 27.190 36.542 31.403 1.00 0.00 H new ATOM 0 HB3 ASN B 201 26.542 34.984 30.929 1.00 0.00 H new ATOM 0 HD21 ASN B 201 23.372 35.388 32.656 1.00 0.00 H new ATOM 0 HD22 ASN B 201 24.632 34.169 32.437 1.00 0.00 H new ATOM 1480 N ILE B 202 28.653 33.617 31.228 1.00 0.00 N ATOM 1481 CA ILE B 202 29.763 33.251 30.404 1.00 0.00 C ATOM 1482 C ILE B 202 30.268 34.397 29.596 1.00 0.00 C ATOM 1483 O ILE B 202 31.414 34.415 29.147 1.00 0.00 O ATOM 1484 CB ILE B 202 29.449 32.013 29.617 1.00 0.00 C ATOM 1485 CG1 ILE B 202 29.562 30.737 30.468 1.00 0.00 C ATOM 1486 CG2 ILE B 202 30.176 31.864 28.270 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.904 30.007 30.432 1.00 0.00 C ATOM 0 H ILE B 202 27.786 33.154 30.955 1.00 0.00 H new ATOM 0 HA ILE B 202 30.606 32.991 31.044 1.00 0.00 H new ATOM 0 HB ILE B 202 28.405 32.153 29.338 1.00 0.00 H new ATOM 0 HG12 ILE B 202 29.344 30.998 31.504 1.00 0.00 H new ATOM 0 HG13 ILE B 202 28.787 30.042 30.144 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.870 30.933 27.792 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.921 32.704 27.624 1.00 0.00 H new ATOM 0 HG23 ILE B 202 31.253 31.849 28.437 1.00 0.00 H new ATOM 0 HD11 ILE B 202 30.856 29.126 31.071 1.00 0.00 H new ATOM 0 HD12 ILE B 202 31.125 29.702 29.409 1.00 0.00 H new ATOM 0 HD13 ILE B 202 31.690 30.672 30.790 1.00 0.00 H new ATOM 1499 N GLN B 203 29.480 35.472 29.420 1.00 0.00 N ATOM 1500 CA GLN B 203 29.781 36.640 28.653 1.00 0.00 C ATOM 1501 C GLN B 203 31.096 37.307 28.870 1.00 0.00 C ATOM 1502 O GLN B 203 31.818 37.585 27.914 1.00 0.00 O ATOM 1503 CB GLN B 203 28.628 37.658 28.651 1.00 0.00 C ATOM 1504 CG GLN B 203 28.345 38.434 29.939 1.00 0.00 C ATOM 1505 CD GLN B 203 28.878 39.858 29.978 1.00 0.00 C ATOM 1506 OE1 GLN B 203 29.711 40.305 29.191 1.00 0.00 O ATOM 1507 NE2 GLN B 203 28.362 40.623 30.976 1.00 0.00 N ATOM 0 H GLN B 203 28.557 35.527 29.850 1.00 0.00 H new ATOM 0 HA GLN B 203 29.895 36.212 27.657 1.00 0.00 H new ATOM 0 HB2 GLN B 203 28.826 38.384 27.862 1.00 0.00 H new ATOM 0 HB3 GLN B 203 27.717 37.128 28.375 1.00 0.00 H new ATOM 0 HG2 GLN B 203 27.267 38.464 30.094 1.00 0.00 H new ATOM 0 HG3 GLN B 203 28.772 37.882 30.776 1.00 0.00 H new ATOM 0 HE21 GLN B 203 27.672 40.229 31.616 1.00 0.00 H new ATOM 0 HE22 GLN B 203 28.664 41.591 31.085 1.00 0.00 H new ATOM 1516 N MET B 204 31.504 37.550 30.128 1.00 0.00 N ATOM 1517 CA MET B 204 32.696 38.264 30.467 1.00 0.00 C ATOM 1518 C MET B 204 33.968 37.637 30.009 1.00 0.00 C ATOM 1519 O MET B 204 34.984 38.315 29.867 1.00 0.00 O ATOM 1520 CB MET B 204 32.804 38.566 31.972 1.00 0.00 C ATOM 1521 CG MET B 204 31.803 39.626 32.437 1.00 0.00 C ATOM 1522 SD MET B 204 30.480 38.994 33.512 1.00 0.00 S ATOM 1523 CE MET B 204 31.523 39.034 34.998 1.00 0.00 C ATOM 0 H MET B 204 30.980 37.235 30.945 1.00 0.00 H new ATOM 0 HA MET B 204 32.580 39.194 29.910 1.00 0.00 H new ATOM 0 HB2 MET B 204 32.641 37.647 32.535 1.00 0.00 H new ATOM 0 HB3 MET B 204 33.815 38.904 32.199 1.00 0.00 H new ATOM 0 HG2 MET B 204 32.343 40.409 32.969 1.00 0.00 H new ATOM 0 HG3 MET B 204 31.351 40.090 31.560 1.00 0.00 H new ATOM 0 HE1 MET B 204 30.949 38.683 35.855 1.00 0.00 H new ATOM 0 HE2 MET B 204 32.389 38.388 34.852 1.00 0.00 H new ATOM 0 HE3 MET B 204 31.858 40.055 35.180 1.00 0.00 H new ATOM 1533 N LEU B 205 33.979 36.321 29.733 1.00 0.00 N ATOM 1534 CA LEU B 205 35.104 35.619 29.196 1.00 0.00 C ATOM 1535 C LEU B 205 35.627 36.139 27.900 1.00 0.00 C ATOM 1536 O LEU B 205 36.833 36.190 27.665 1.00 0.00 O ATOM 1537 CB LEU B 205 34.763 34.127 29.047 1.00 0.00 C ATOM 1538 CG LEU B 205 34.588 33.413 30.399 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.004 32.005 30.194 1.00 0.00 C ATOM 1540 CD2 LEU B 205 35.926 33.347 31.155 1.00 0.00 C ATOM 0 H LEU B 205 33.170 35.720 29.891 1.00 0.00 H new ATOM 0 HA LEU B 205 35.906 35.779 29.917 1.00 0.00 H new ATOM 0 HB2 LEU B 205 33.846 34.026 28.467 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.554 33.634 28.481 1.00 0.00 H new ATOM 0 HG LEU B 205 33.886 33.988 31.004 1.00 0.00 H new ATOM 0 HD11 LEU B 205 33.887 31.515 31.161 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.032 32.082 29.706 1.00 0.00 H new ATOM 0 HD13 LEU B 205 34.678 31.419 29.569 1.00 0.00 H new ATOM 0 HD21 LEU B 205 35.781 32.839 32.108 1.00 0.00 H new ATOM 0 HD22 LEU B 205 36.654 32.798 30.558 1.00 0.00 H new ATOM 0 HD23 LEU B 205 36.292 34.358 31.335 1.00 0.00 H new ATOM 1552 N LEU B 206 34.708 36.527 26.998 1.00 0.00 N ATOM 1553 CA LEU B 206 35.044 36.928 25.667 1.00 0.00 C ATOM 1554 C LEU B 206 35.481 38.352 25.645 1.00 0.00 C ATOM 1555 O LEU B 206 36.132 38.817 24.710 1.00 0.00 O ATOM 1556 CB LEU B 206 33.907 36.504 24.722 1.00 0.00 C ATOM 1557 CG LEU B 206 33.477 35.054 25.002 1.00 0.00 C ATOM 1558 CD1 LEU B 206 32.447 34.551 23.977 1.00 0.00 C ATOM 1559 CD2 LEU B 206 34.663 34.084 25.142 1.00 0.00 C ATOM 0 H LEU B 206 33.708 36.563 27.198 1.00 0.00 H new ATOM 0 HA LEU B 206 35.922 36.412 25.278 1.00 0.00 H new ATOM 0 HB2 LEU B 206 33.055 37.172 24.848 1.00 0.00 H new ATOM 0 HB3 LEU B 206 34.234 36.598 23.687 1.00 0.00 H new ATOM 0 HG LEU B 206 32.988 35.073 25.976 1.00 0.00 H new ATOM 0 HD11 LEU B 206 32.171 33.523 24.213 1.00 0.00 H new ATOM 0 HD12 LEU B 206 31.559 35.182 24.014 1.00 0.00 H new ATOM 0 HD13 LEU B 206 32.879 34.591 22.977 1.00 0.00 H new ATOM 0 HD21 LEU B 206 34.290 33.079 25.339 1.00 0.00 H new ATOM 0 HD22 LEU B 206 35.242 34.082 24.219 1.00 0.00 H new ATOM 0 HD23 LEU B 206 35.298 34.403 25.968 1.00 0.00 H new ATOM 1571 N GLU B 207 35.136 39.070 26.728 1.00 0.00 N ATOM 1572 CA GLU B 207 35.494 40.431 26.982 1.00 0.00 C ATOM 1573 C GLU B 207 36.870 40.479 27.551 1.00 0.00 C ATOM 1574 O GLU B 207 37.773 41.138 27.038 1.00 0.00 O ATOM 1575 CB GLU B 207 34.502 41.086 27.958 1.00 0.00 C ATOM 1576 CG GLU B 207 33.020 40.895 27.629 1.00 0.00 C ATOM 1577 CD GLU B 207 32.392 41.994 26.783 1.00 0.00 C ATOM 1578 OE1 GLU B 207 32.305 43.160 27.252 1.00 0.00 O ATOM 1579 OE2 GLU B 207 31.872 41.676 25.681 1.00 0.00 O ATOM 0 H GLU B 207 34.569 38.672 27.476 1.00 0.00 H new ATOM 0 HA GLU B 207 35.462 40.984 26.043 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.687 40.689 28.956 1.00 0.00 H new ATOM 0 HB3 GLU B 207 34.711 42.155 27.996 1.00 0.00 H new ATOM 0 HG2 GLU B 207 32.901 39.945 27.107 1.00 0.00 H new ATOM 0 HG3 GLU B 207 32.465 40.817 28.564 1.00 0.00 H new ATOM 1586 N ALA B 208 37.081 39.714 28.637 1.00 0.00 N ATOM 1587 CA ALA B 208 38.314 39.515 29.332 1.00 0.00 C ATOM 1588 C ALA B 208 39.399 38.965 28.471 1.00 0.00 C ATOM 1589 O ALA B 208 40.543 39.413 28.537 1.00 0.00 O ATOM 1590 CB ALA B 208 38.076 38.561 30.514 1.00 0.00 C ATOM 0 H ALA B 208 36.319 39.189 29.065 1.00 0.00 H new ATOM 0 HA ALA B 208 38.648 40.495 29.672 1.00 0.00 H new ATOM 0 HB1 ALA B 208 39.012 38.404 31.049 1.00 0.00 H new ATOM 0 HB2 ALA B 208 37.340 38.996 31.190 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.707 37.605 30.142 1.00 0.00 H new ATOM 1596 N ALA B 209 39.079 37.995 27.596 1.00 0.00 N ATOM 1597 CA ALA B 209 39.996 37.457 26.639 1.00 0.00 C ATOM 1598 C ALA B 209 40.462 38.442 25.622 1.00 0.00 C ATOM 1599 O ALA B 209 41.652 38.456 25.310 1.00 0.00 O ATOM 1600 CB ALA B 209 39.375 36.253 25.911 1.00 0.00 C ATOM 0 H ALA B 209 38.152 37.571 27.553 1.00 0.00 H new ATOM 0 HA ALA B 209 40.868 37.154 27.219 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.088 35.858 25.187 1.00 0.00 H new ATOM 0 HB2 ALA B 209 39.127 35.478 26.636 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.469 36.569 25.393 1.00 0.00 H new ATOM 1606 N ASP B 210 39.588 39.313 25.088 1.00 0.00 N ATOM 1607 CA ASP B 210 39.946 40.305 24.121 1.00 0.00 C ATOM 1608 C ASP B 210 40.838 41.345 24.707 1.00 0.00 C ATOM 1609 O ASP B 210 41.875 41.695 24.144 1.00 0.00 O ATOM 1610 CB ASP B 210 38.668 40.902 23.507 1.00 0.00 C ATOM 1611 CG ASP B 210 38.929 41.488 22.126 1.00 0.00 C ATOM 1612 OD1 ASP B 210 39.567 42.569 22.019 1.00 0.00 O ATOM 1613 OD2 ASP B 210 38.506 40.849 21.126 1.00 0.00 O ATOM 0 H ASP B 210 38.599 39.328 25.337 1.00 0.00 H new ATOM 0 HA ASP B 210 40.521 39.837 23.322 1.00 0.00 H new ATOM 0 HB2 ASP B 210 37.903 40.129 23.436 1.00 0.00 H new ATOM 0 HB3 ASP B 210 38.277 41.679 24.164 1.00 0.00 H new ATOM 1618 N TYR B 211 40.516 41.808 25.927 1.00 0.00 N ATOM 1619 CA TYR B 211 41.342 42.614 26.771 1.00 0.00 C ATOM 1620 C TYR B 211 42.700 42.041 26.984 1.00 0.00 C ATOM 1621 O TYR B 211 43.712 42.697 26.744 1.00 0.00 O ATOM 1622 CB TYR B 211 40.565 42.845 28.078 1.00 0.00 C ATOM 1623 CG TYR B 211 41.346 43.414 29.212 1.00 0.00 C ATOM 1624 CD1 TYR B 211 41.594 44.762 29.311 1.00 0.00 C ATOM 1625 CD2 TYR B 211 41.827 42.570 30.185 1.00 0.00 C ATOM 1626 CE1 TYR B 211 42.305 45.263 30.376 1.00 0.00 C ATOM 1627 CE2 TYR B 211 42.521 43.066 31.262 1.00 0.00 C ATOM 1628 CZ TYR B 211 42.767 44.415 31.355 1.00 0.00 C ATOM 1629 OH TYR B 211 43.511 44.932 32.437 1.00 0.00 O ATOM 0 H TYR B 211 39.612 41.604 26.354 1.00 0.00 H new ATOM 0 HA TYR B 211 41.547 43.570 26.289 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.730 43.513 27.867 1.00 0.00 H new ATOM 0 HB3 TYR B 211 40.140 41.894 28.397 1.00 0.00 H new ATOM 0 HD1 TYR B 211 41.228 45.432 28.547 1.00 0.00 H new ATOM 0 HD2 TYR B 211 41.658 41.507 30.102 1.00 0.00 H new ATOM 0 HE1 TYR B 211 42.501 46.323 30.444 1.00 0.00 H new ATOM 0 HE2 TYR B 211 42.872 42.397 32.034 1.00 0.00 H new ATOM 0 HH TYR B 211 43.761 44.202 33.041 1.00 0.00 H new ATOM 1639 N LEU B 212 42.803 40.772 27.420 1.00 0.00 N ATOM 1640 CA LEU B 212 44.049 40.116 27.666 1.00 0.00 C ATOM 1641 C LEU B 212 44.858 39.827 26.449 1.00 0.00 C ATOM 1642 O LEU B 212 46.087 39.859 26.492 1.00 0.00 O ATOM 1643 CB LEU B 212 43.845 38.864 28.535 1.00 0.00 C ATOM 1644 CG LEU B 212 44.140 39.093 30.028 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.568 37.901 30.815 1.00 0.00 C ATOM 1646 CD2 LEU B 212 45.634 39.300 30.326 1.00 0.00 C ATOM 0 H LEU B 212 41.991 40.183 27.607 1.00 0.00 H new ATOM 0 HA LEU B 212 44.652 40.835 28.221 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.817 38.520 28.425 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.489 38.066 28.165 1.00 0.00 H new ATOM 0 HG LEU B 212 43.660 40.021 30.339 1.00 0.00 H new ATOM 0 HD11 LEU B 212 43.764 38.039 31.878 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.492 37.838 30.650 1.00 0.00 H new ATOM 0 HD13 LEU B 212 44.042 36.980 30.475 1.00 0.00 H new ATOM 0 HD21 LEU B 212 45.773 39.456 31.396 1.00 0.00 H new ATOM 0 HD22 LEU B 212 46.193 38.419 30.012 1.00 0.00 H new ATOM 0 HD23 LEU B 212 45.996 40.172 29.782 1.00 0.00 H new ATOM 1658 N GLU B 213 44.222 39.593 25.287 1.00 0.00 N ATOM 1659 CA GLU B 213 44.851 39.535 24.004 1.00 0.00 C ATOM 1660 C GLU B 213 45.526 40.813 23.638 1.00 0.00 C ATOM 1661 O GLU B 213 46.667 40.820 23.179 1.00 0.00 O ATOM 1662 CB GLU B 213 43.843 39.193 22.894 1.00 0.00 C ATOM 1663 CG GLU B 213 43.399 37.729 22.868 1.00 0.00 C ATOM 1664 CD GLU B 213 44.219 36.853 21.931 1.00 0.00 C ATOM 1665 OE1 GLU B 213 45.450 36.690 22.147 1.00 0.00 O ATOM 1666 OE2 GLU B 213 43.628 36.317 20.956 1.00 0.00 O ATOM 0 H GLU B 213 43.215 39.436 25.241 1.00 0.00 H new ATOM 0 HA GLU B 213 45.600 38.748 24.086 1.00 0.00 H new ATOM 0 HB2 GLU B 213 42.962 39.824 23.013 1.00 0.00 H new ATOM 0 HB3 GLU B 213 44.286 39.442 21.930 1.00 0.00 H new ATOM 0 HG2 GLU B 213 43.461 37.322 23.877 1.00 0.00 H new ATOM 0 HG3 GLU B 213 42.352 37.682 22.570 1.00 0.00 H new ATOM 1673 N ARG B 214 44.846 41.953 23.851 1.00 0.00 N ATOM 1674 CA ARG B 214 45.338 43.274 23.611 1.00 0.00 C ATOM 1675 C ARG B 214 46.465 43.663 24.504 1.00 0.00 C ATOM 1676 O ARG B 214 47.402 44.335 24.075 1.00 0.00 O ATOM 1677 CB ARG B 214 44.180 44.276 23.755 1.00 0.00 C ATOM 1678 CG ARG B 214 43.147 44.184 22.631 1.00 0.00 C ATOM 1679 CD ARG B 214 43.464 45.014 21.384 1.00 0.00 C ATOM 1680 NE ARG B 214 43.355 46.447 21.777 1.00 0.00 N ATOM 1681 CZ ARG B 214 42.163 47.095 21.925 1.00 0.00 C ATOM 1682 NH1 ARG B 214 40.979 46.582 21.477 1.00 0.00 N ATOM 1683 NH2 ARG B 214 42.126 48.288 22.587 1.00 0.00 N ATOM 0 H ARG B 214 43.893 41.952 24.214 1.00 0.00 H new ATOM 0 HA ARG B 214 45.739 43.287 22.597 1.00 0.00 H new ATOM 0 HB2 ARG B 214 43.682 44.108 24.710 1.00 0.00 H new ATOM 0 HB3 ARG B 214 44.587 45.287 23.782 1.00 0.00 H new ATOM 0 HG2 ARG B 214 43.046 43.139 22.337 1.00 0.00 H new ATOM 0 HG3 ARG B 214 42.180 44.500 23.022 1.00 0.00 H new ATOM 0 HD2 ARG B 214 44.465 44.790 21.016 1.00 0.00 H new ATOM 0 HD3 ARG B 214 42.768 44.781 20.578 1.00 0.00 H new ATOM 0 HE ARG B 214 44.215 46.970 21.944 1.00 0.00 H new ATOM 0 HH11 ARG B 214 40.960 45.676 21.008 1.00 0.00 H new ATOM 0 HH12 ARG B 214 40.113 47.105 21.611 1.00 0.00 H new ATOM 0 HH21 ARG B 214 42.984 48.688 22.966 1.00 0.00 H new ATOM 0 HH22 ARG B 214 41.240 48.780 22.703 1.00 0.00 H new ATOM 1697 N ARG B 215 46.440 43.225 25.775 1.00 0.00 N ATOM 1698 CA ARG B 215 47.479 43.385 26.744 1.00 0.00 C ATOM 1699 C ARG B 215 48.787 42.799 26.339 1.00 0.00 C ATOM 1700 O ARG B 215 49.844 43.386 26.567 1.00 0.00 O ATOM 1701 CB ARG B 215 47.071 42.799 28.107 1.00 0.00 C ATOM 1702 CG ARG B 215 45.948 43.559 28.814 1.00 0.00 C ATOM 1703 CD ARG B 215 46.332 44.166 30.165 1.00 0.00 C ATOM 1704 NE ARG B 215 47.375 45.195 29.890 1.00 0.00 N ATOM 1705 CZ ARG B 215 48.650 45.129 30.371 1.00 0.00 C ATOM 1706 NH1 ARG B 215 48.999 44.363 31.445 1.00 0.00 N ATOM 1707 NH2 ARG B 215 49.629 45.883 29.791 1.00 0.00 N ATOM 0 H ARG B 215 45.636 42.723 26.151 1.00 0.00 H new ATOM 0 HA ARG B 215 47.617 44.463 26.822 1.00 0.00 H new ATOM 0 HB2 ARG B 215 46.759 41.764 27.965 1.00 0.00 H new ATOM 0 HB3 ARG B 215 47.946 42.781 28.757 1.00 0.00 H new ATOM 0 HG2 ARG B 215 45.601 44.358 28.159 1.00 0.00 H new ATOM 0 HG3 ARG B 215 45.108 42.881 28.962 1.00 0.00 H new ATOM 0 HD2 ARG B 215 45.464 44.614 30.649 1.00 0.00 H new ATOM 0 HD3 ARG B 215 46.713 43.399 30.840 1.00 0.00 H new ATOM 0 HE ARG B 215 47.121 45.994 29.309 1.00 0.00 H new ATOM 0 HH11 ARG B 215 48.292 43.806 31.926 1.00 0.00 H new ATOM 0 HH12 ARG B 215 49.967 44.347 31.767 1.00 0.00 H new ATOM 0 HH21 ARG B 215 49.405 46.491 29.003 1.00 0.00 H new ATOM 0 HH22 ARG B 215 50.584 45.839 30.146 1.00 0.00 H new