USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 494 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 41 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot -140:sc= -1.9! USER MOD Single : A 40 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.3!) USER MOD Single : A 43 TYR OH : rot -140:sc= 0.103 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 167:sc= -2.38 (180deg=-2.98) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc=-0.00711 USER MOD Single : A 63 ASN : amide:sc=-0.00514 K(o=-0.0051,f=-1.6!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -150:sc= -3.09 (180deg=-4.98!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 75 CYS SG : rot 97:sc= -2.64 USER MOD Single : A 80 TYR OH : rot -12:sc= -5.93! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot -102:sc= 0.102! USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 94 ASN : amide:sc= -0.284 K(o=-0.28,f=-4.6!) USER MOD Single : A 96 THR OG1 : rot -92:sc= 0.637 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 100 SER OG : rot -55:sc= 1.21 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 21.708 22.123 14.361 1.00 0.00 N ATOM 79 CA ASN A 40 21.017 21.374 13.275 1.00 0.00 C ATOM 80 C ASN A 40 22.053 20.914 12.248 1.00 0.00 C ATOM 81 O ASN A 40 22.710 21.716 11.616 1.00 0.00 O ATOM 82 CB ASN A 40 19.994 22.287 12.596 1.00 0.00 C ATOM 83 CG ASN A 40 19.021 21.440 11.776 1.00 0.00 C ATOM 84 OD1 ASN A 40 18.986 20.233 11.909 1.00 0.00 O ATOM 85 ND2 ASN A 40 18.223 22.025 10.925 1.00 0.00 N ATOM 0 HA ASN A 40 20.504 20.508 13.693 1.00 0.00 H new ATOM 0 HB2 ASN A 40 19.450 22.862 13.345 1.00 0.00 H new ATOM 0 HB3 ASN A 40 20.502 23.004 11.951 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.571 21.469 10.372 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.252 23.038 10.813 1.00 0.00 H new ATOM 92 N THR A 41 22.211 19.629 12.080 1.00 0.00 N ATOM 93 CA THR A 41 23.212 19.122 11.098 1.00 0.00 C ATOM 94 C THR A 41 22.677 19.293 9.674 1.00 0.00 C ATOM 95 O THR A 41 21.485 19.261 9.439 1.00 0.00 O ATOM 96 CB THR A 41 23.482 17.639 11.367 1.00 0.00 C ATOM 97 OG1 THR A 41 23.886 17.472 12.719 1.00 0.00 O ATOM 98 CG2 THR A 41 24.589 17.139 10.438 1.00 0.00 C ATOM 0 H THR A 41 21.690 18.908 12.580 1.00 0.00 H new ATOM 0 HA THR A 41 24.137 19.688 11.203 1.00 0.00 H new ATOM 0 HB THR A 41 22.573 17.066 11.183 1.00 0.00 H new ATOM 0 HG1 THR A 41 24.058 16.523 12.894 1.00 0.00 H new ATOM 0 HG21 THR A 41 24.778 16.083 10.633 1.00 0.00 H new ATOM 0 HG22 THR A 41 24.279 17.267 9.401 1.00 0.00 H new ATOM 0 HG23 THR A 41 25.500 17.710 10.617 1.00 0.00 H new ATOM 106 N LEU A 42 23.552 19.473 8.722 1.00 0.00 N ATOM 107 CA LEU A 42 23.099 19.642 7.312 1.00 0.00 C ATOM 108 C LEU A 42 23.826 18.634 6.421 1.00 0.00 C ATOM 109 O LEU A 42 24.965 18.287 6.665 1.00 0.00 O ATOM 110 CB LEU A 42 23.424 21.060 6.835 1.00 0.00 C ATOM 111 CG LEU A 42 22.613 22.071 7.646 1.00 0.00 C ATOM 112 CD1 LEU A 42 23.474 22.616 8.786 1.00 0.00 C ATOM 113 CD2 LEU A 42 22.181 23.223 6.739 1.00 0.00 C ATOM 0 H LEU A 42 24.562 19.510 8.860 1.00 0.00 H new ATOM 0 HA LEU A 42 22.023 19.475 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 42 24.490 21.258 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 42 23.193 21.160 5.774 1.00 0.00 H new ATOM 0 HG LEU A 42 21.730 21.582 8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 42 22.897 23.337 9.365 1.00 0.00 H new ATOM 0 HD12 LEU A 42 23.783 21.795 9.433 1.00 0.00 H new ATOM 0 HD13 LEU A 42 24.357 23.105 8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 42 21.603 23.944 7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 42 23.064 23.712 6.327 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.568 22.835 5.925 1.00 0.00 H new ATOM 125 N TYR A 43 23.181 18.162 5.390 1.00 0.00 N ATOM 126 CA TYR A 43 23.842 17.177 4.487 1.00 0.00 C ATOM 127 C TYR A 43 24.302 17.885 3.212 1.00 0.00 C ATOM 128 O TYR A 43 23.501 18.372 2.437 1.00 0.00 O ATOM 129 CB TYR A 43 22.852 16.068 4.125 1.00 0.00 C ATOM 130 CG TYR A 43 23.471 15.165 3.085 1.00 0.00 C ATOM 131 CD1 TYR A 43 24.322 14.126 3.479 1.00 0.00 C ATOM 132 CD2 TYR A 43 23.195 15.368 1.728 1.00 0.00 C ATOM 133 CE1 TYR A 43 24.898 13.288 2.515 1.00 0.00 C ATOM 134 CE2 TYR A 43 23.771 14.532 0.764 1.00 0.00 C ATOM 135 CZ TYR A 43 24.622 13.492 1.158 1.00 0.00 C ATOM 136 OH TYR A 43 25.190 12.668 0.208 1.00 0.00 O ATOM 0 H TYR A 43 22.227 18.415 5.134 1.00 0.00 H new ATOM 0 HA TYR A 43 24.703 16.742 4.994 1.00 0.00 H new ATOM 0 HB2 TYR A 43 22.592 15.493 5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 43 21.927 16.501 3.743 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.535 13.970 4.526 1.00 0.00 H new ATOM 0 HD2 TYR A 43 22.538 16.169 1.425 1.00 0.00 H new ATOM 0 HE1 TYR A 43 25.554 12.486 2.819 1.00 0.00 H new ATOM 0 HE2 TYR A 43 23.559 14.689 -0.283 1.00 0.00 H new ATOM 0 HH TYR A 43 25.461 13.202 -0.568 1.00 0.00 H new ATOM 146 N VAL A 44 25.585 17.942 2.985 1.00 0.00 N ATOM 147 CA VAL A 44 26.097 18.615 1.758 1.00 0.00 C ATOM 148 C VAL A 44 26.746 17.576 0.842 1.00 0.00 C ATOM 149 O VAL A 44 27.369 16.638 1.297 1.00 0.00 O ATOM 150 CB VAL A 44 27.134 19.670 2.149 1.00 0.00 C ATOM 151 CG1 VAL A 44 27.575 20.439 0.902 1.00 0.00 C ATOM 152 CG2 VAL A 44 26.518 20.643 3.156 1.00 0.00 C ATOM 0 H VAL A 44 26.302 17.551 3.597 1.00 0.00 H new ATOM 0 HA VAL A 44 25.271 19.096 1.235 1.00 0.00 H new ATOM 0 HB VAL A 44 27.998 19.180 2.599 1.00 0.00 H new ATOM 0 HG11 VAL A 44 28.314 21.191 1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 44 28.015 19.747 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 44 26.711 20.928 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 44 27.257 21.395 3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 44 25.654 21.133 2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 44 26.204 20.096 4.045 1.00 0.00 H new ATOM 162 N TYR A 45 26.604 17.733 -0.446 1.00 0.00 N ATOM 163 CA TYR A 45 27.214 16.751 -1.386 1.00 0.00 C ATOM 164 C TYR A 45 27.884 17.497 -2.542 1.00 0.00 C ATOM 165 O TYR A 45 27.397 18.509 -3.006 1.00 0.00 O ATOM 166 CB TYR A 45 26.126 15.829 -1.938 1.00 0.00 C ATOM 167 CG TYR A 45 26.753 14.802 -2.850 1.00 0.00 C ATOM 168 CD1 TYR A 45 27.249 13.606 -2.320 1.00 0.00 C ATOM 169 CD2 TYR A 45 26.839 15.047 -4.226 1.00 0.00 C ATOM 170 CE1 TYR A 45 27.832 12.654 -3.165 1.00 0.00 C ATOM 171 CE2 TYR A 45 27.423 14.096 -5.071 1.00 0.00 C ATOM 172 CZ TYR A 45 27.919 12.899 -4.541 1.00 0.00 C ATOM 173 OH TYR A 45 28.493 11.961 -5.375 1.00 0.00 O ATOM 0 H TYR A 45 26.093 18.498 -0.887 1.00 0.00 H new ATOM 0 HA TYR A 45 27.959 16.158 -0.856 1.00 0.00 H new ATOM 0 HB2 TYR A 45 25.604 15.334 -1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 45 25.383 16.411 -2.484 1.00 0.00 H new ATOM 0 HD1 TYR A 45 27.182 13.417 -1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 45 26.455 15.970 -4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 45 28.215 11.731 -2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 45 27.491 14.286 -6.132 1.00 0.00 H new ATOM 0 HH TYR A 45 28.472 12.288 -6.299 1.00 0.00 H new ATOM 183 N GLY A 46 28.998 17.005 -3.012 1.00 0.00 N ATOM 184 CA GLY A 46 29.697 17.687 -4.138 1.00 0.00 C ATOM 185 C GLY A 46 31.108 17.112 -4.287 1.00 0.00 C ATOM 186 O GLY A 46 31.481 16.173 -3.612 1.00 0.00 O ATOM 0 H GLY A 46 29.454 16.161 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 46 29.138 17.550 -5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 46 29.748 18.760 -3.952 1.00 0.00 H new ATOM 190 N GLU A 47 31.895 17.669 -5.168 1.00 0.00 N ATOM 191 CA GLU A 47 33.280 17.155 -5.360 1.00 0.00 C ATOM 192 C GLU A 47 34.282 18.156 -4.780 1.00 0.00 C ATOM 193 O GLU A 47 33.984 19.322 -4.616 1.00 0.00 O ATOM 194 CB GLU A 47 33.552 16.968 -6.855 1.00 0.00 C ATOM 195 CG GLU A 47 32.509 16.019 -7.447 1.00 0.00 C ATOM 196 CD GLU A 47 32.799 15.805 -8.934 1.00 0.00 C ATOM 197 OE1 GLU A 47 33.630 16.524 -9.465 1.00 0.00 O ATOM 198 OE2 GLU A 47 32.186 14.926 -9.517 1.00 0.00 O ATOM 0 H GLU A 47 31.638 18.457 -5.762 1.00 0.00 H new ATOM 0 HA GLU A 47 33.386 16.198 -4.849 1.00 0.00 H new ATOM 0 HB2 GLU A 47 33.515 17.930 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 47 34.553 16.565 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 47 32.530 15.065 -6.921 1.00 0.00 H new ATOM 0 HG3 GLU A 47 31.509 16.433 -7.317 1.00 0.00 H new ATOM 205 N ASP A 48 35.468 17.710 -4.469 1.00 0.00 N ATOM 206 CA ASP A 48 36.488 18.635 -3.900 1.00 0.00 C ATOM 207 C ASP A 48 35.835 19.523 -2.838 1.00 0.00 C ATOM 208 O ASP A 48 36.033 20.721 -2.810 1.00 0.00 O ATOM 209 CB ASP A 48 37.061 19.510 -5.015 1.00 0.00 C ATOM 210 CG ASP A 48 37.622 18.618 -6.123 1.00 0.00 C ATOM 211 OD1 ASP A 48 37.883 17.459 -5.848 1.00 0.00 O ATOM 212 OD2 ASP A 48 37.779 19.109 -7.229 1.00 0.00 O ATOM 0 H ASP A 48 35.775 16.744 -4.585 1.00 0.00 H new ATOM 0 HA ASP A 48 37.291 18.055 -3.445 1.00 0.00 H new ATOM 0 HB2 ASP A 48 36.285 20.162 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 48 37.846 20.155 -4.619 1.00 0.00 H new ATOM 217 N MET A 49 35.057 18.945 -1.964 1.00 0.00 N ATOM 218 CA MET A 49 34.394 19.757 -0.905 1.00 0.00 C ATOM 219 C MET A 49 35.345 19.921 0.281 1.00 0.00 C ATOM 220 O MET A 49 35.935 18.969 0.752 1.00 0.00 O ATOM 221 CB MET A 49 33.119 19.052 -0.442 1.00 0.00 C ATOM 222 CG MET A 49 32.367 18.499 -1.654 1.00 0.00 C ATOM 223 SD MET A 49 31.167 17.260 -1.105 1.00 0.00 S ATOM 224 CE MET A 49 30.131 18.369 -0.120 1.00 0.00 C ATOM 0 H MET A 49 34.852 17.946 -1.938 1.00 0.00 H new ATOM 0 HA MET A 49 34.140 20.738 -1.306 1.00 0.00 H new ATOM 0 HB2 MET A 49 33.368 18.242 0.244 1.00 0.00 H new ATOM 0 HB3 MET A 49 32.484 19.749 0.105 1.00 0.00 H new ATOM 0 HG2 MET A 49 31.857 19.307 -2.179 1.00 0.00 H new ATOM 0 HG3 MET A 49 33.069 18.054 -2.359 1.00 0.00 H new ATOM 0 HE1 MET A 49 29.196 17.868 0.129 1.00 0.00 H new ATOM 0 HE2 MET A 49 30.655 18.637 0.797 1.00 0.00 H new ATOM 0 HE3 MET A 49 29.917 19.271 -0.693 1.00 0.00 H new ATOM 234 N THR A 50 35.495 21.121 0.771 1.00 0.00 N ATOM 235 CA THR A 50 36.405 21.344 1.929 1.00 0.00 C ATOM 236 C THR A 50 35.613 21.954 3.086 1.00 0.00 C ATOM 237 O THR A 50 34.552 22.516 2.896 1.00 0.00 O ATOM 238 CB THR A 50 37.529 22.300 1.520 1.00 0.00 C ATOM 239 OG1 THR A 50 37.074 23.143 0.471 1.00 0.00 O ATOM 240 CG2 THR A 50 38.737 21.493 1.041 1.00 0.00 C ATOM 0 H THR A 50 35.027 21.956 0.419 1.00 0.00 H new ATOM 0 HA THR A 50 36.835 20.393 2.242 1.00 0.00 H new ATOM 0 HB THR A 50 37.818 22.910 2.376 1.00 0.00 H new ATOM 0 HG1 THR A 50 37.792 23.757 0.210 1.00 0.00 H new ATOM 0 HG21 THR A 50 39.537 22.174 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 50 39.086 20.847 1.847 1.00 0.00 H new ATOM 0 HG23 THR A 50 38.450 20.883 0.185 1.00 0.00 H new ATOM 248 N PRO A 51 36.143 21.838 4.313 1.00 0.00 N ATOM 249 CA PRO A 51 35.488 22.377 5.511 1.00 0.00 C ATOM 250 C PRO A 51 35.521 23.907 5.531 1.00 0.00 C ATOM 251 O PRO A 51 34.547 24.555 5.856 1.00 0.00 O ATOM 252 CB PRO A 51 36.328 21.820 6.660 1.00 0.00 C ATOM 253 CG PRO A 51 37.668 21.567 6.057 1.00 0.00 C ATOM 254 CD PRO A 51 37.419 21.174 4.627 1.00 0.00 C ATOM 0 HA PRO A 51 34.435 22.100 5.564 1.00 0.00 H new ATOM 0 HB2 PRO A 51 36.392 22.530 7.485 1.00 0.00 H new ATOM 0 HB3 PRO A 51 35.894 20.904 7.061 1.00 0.00 H new ATOM 0 HG2 PRO A 51 38.294 22.458 6.112 1.00 0.00 H new ATOM 0 HG3 PRO A 51 38.192 20.775 6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 51 38.221 21.512 3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 51 37.349 20.092 4.513 1.00 0.00 H new ATOM 262 N THR A 52 36.636 24.488 5.180 1.00 0.00 N ATOM 263 CA THR A 52 36.729 25.974 5.173 1.00 0.00 C ATOM 264 C THR A 52 35.776 26.534 4.116 1.00 0.00 C ATOM 265 O THR A 52 35.024 27.454 4.367 1.00 0.00 O ATOM 266 CB THR A 52 38.163 26.395 4.843 1.00 0.00 C ATOM 267 OG1 THR A 52 39.057 25.791 5.767 1.00 0.00 O ATOM 268 CG2 THR A 52 38.284 27.917 4.933 1.00 0.00 C ATOM 0 H THR A 52 37.485 23.998 4.898 1.00 0.00 H new ATOM 0 HA THR A 52 36.456 26.362 6.154 1.00 0.00 H new ATOM 0 HB THR A 52 38.413 26.073 3.832 1.00 0.00 H new ATOM 0 HG1 THR A 52 39.976 26.058 5.556 1.00 0.00 H new ATOM 0 HG21 THR A 52 39.306 28.215 4.698 1.00 0.00 H new ATOM 0 HG22 THR A 52 37.598 28.379 4.223 1.00 0.00 H new ATOM 0 HG23 THR A 52 38.034 28.243 5.943 1.00 0.00 H new ATOM 276 N LEU A 53 35.802 25.982 2.933 1.00 0.00 N ATOM 277 CA LEU A 53 34.895 26.479 1.860 1.00 0.00 C ATOM 278 C LEU A 53 33.447 26.388 2.341 1.00 0.00 C ATOM 279 O LEU A 53 32.705 27.349 2.292 1.00 0.00 O ATOM 280 CB LEU A 53 35.072 25.619 0.606 1.00 0.00 C ATOM 281 CG LEU A 53 34.257 26.218 -0.543 1.00 0.00 C ATOM 282 CD1 LEU A 53 35.022 27.395 -1.152 1.00 0.00 C ATOM 283 CD2 LEU A 53 34.026 25.150 -1.614 1.00 0.00 C ATOM 0 H LEU A 53 36.411 25.210 2.664 1.00 0.00 H new ATOM 0 HA LEU A 53 35.137 27.516 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 53 36.126 25.570 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 53 34.746 24.598 0.803 1.00 0.00 H new ATOM 0 HG LEU A 53 33.296 26.567 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 53 34.442 27.822 -1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 53 35.187 28.156 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 53 35.983 27.047 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 53 33.446 25.575 -2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 53 34.987 24.801 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 53 33.481 24.312 -1.180 1.00 0.00 H new ATOM 295 N LEU A 54 33.041 25.240 2.811 1.00 0.00 N ATOM 296 CA LEU A 54 31.642 25.091 3.301 1.00 0.00 C ATOM 297 C LEU A 54 31.387 26.109 4.414 1.00 0.00 C ATOM 298 O LEU A 54 30.377 26.784 4.433 1.00 0.00 O ATOM 299 CB LEU A 54 31.440 23.675 3.845 1.00 0.00 C ATOM 300 CG LEU A 54 31.630 22.661 2.714 1.00 0.00 C ATOM 301 CD1 LEU A 54 32.266 21.387 3.272 1.00 0.00 C ATOM 302 CD2 LEU A 54 30.272 22.324 2.097 1.00 0.00 C ATOM 0 H LEU A 54 33.617 24.401 2.877 1.00 0.00 H new ATOM 0 HA LEU A 54 30.946 25.265 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 54 32.151 23.478 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 54 30.442 23.577 4.272 1.00 0.00 H new ATOM 0 HG LEU A 54 32.280 23.087 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 54 32.401 20.665 2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 54 33.234 21.626 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 54 31.616 20.961 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 54 30.407 21.602 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.621 21.898 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 54 29.818 23.231 1.698 1.00 0.00 H new ATOM 314 N ARG A 55 32.299 26.228 5.340 1.00 0.00 N ATOM 315 CA ARG A 55 32.113 27.206 6.449 1.00 0.00 C ATOM 316 C ARG A 55 31.714 28.563 5.865 1.00 0.00 C ATOM 317 O ARG A 55 30.924 29.287 6.437 1.00 0.00 O ATOM 318 CB ARG A 55 33.425 27.350 7.224 1.00 0.00 C ATOM 319 CG ARG A 55 33.196 28.223 8.461 1.00 0.00 C ATOM 320 CD ARG A 55 34.503 28.342 9.246 1.00 0.00 C ATOM 321 NE ARG A 55 34.279 29.173 10.463 1.00 0.00 N ATOM 322 CZ ARG A 55 33.704 30.339 10.360 1.00 0.00 C ATOM 323 NH1 ARG A 55 34.409 31.388 10.036 1.00 0.00 N ATOM 324 NH2 ARG A 55 32.424 30.456 10.582 1.00 0.00 N ATOM 0 H ARG A 55 33.165 25.690 5.376 1.00 0.00 H new ATOM 0 HA ARG A 55 31.330 26.854 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 55 33.793 26.368 7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 55 34.188 27.797 6.587 1.00 0.00 H new ATOM 0 HG2 ARG A 55 32.846 29.211 8.163 1.00 0.00 H new ATOM 0 HG3 ARG A 55 32.420 27.787 9.089 1.00 0.00 H new ATOM 0 HD2 ARG A 55 34.861 27.352 9.530 1.00 0.00 H new ATOM 0 HD3 ARG A 55 35.275 28.793 8.622 1.00 0.00 H new ATOM 0 HE ARG A 55 34.576 28.830 11.377 1.00 0.00 H new ATOM 0 HH11 ARG A 55 35.410 31.296 9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 55 33.959 32.300 9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 55 31.873 29.636 10.836 1.00 0.00 H new ATOM 0 HH22 ARG A 55 31.974 31.368 10.502 1.00 0.00 H new ATOM 338 N GLY A 56 32.255 28.911 4.730 1.00 0.00 N ATOM 339 CA GLY A 56 31.905 30.218 4.108 1.00 0.00 C ATOM 340 C GLY A 56 30.487 30.147 3.539 1.00 0.00 C ATOM 341 O GLY A 56 29.742 31.105 3.580 1.00 0.00 O ATOM 0 H GLY A 56 32.924 28.346 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 56 31.972 31.015 4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.615 30.458 3.316 1.00 0.00 H new ATOM 345 N ALA A 57 30.107 29.016 3.009 1.00 0.00 N ATOM 346 CA ALA A 57 28.737 28.882 2.439 1.00 0.00 C ATOM 347 C ALA A 57 27.716 28.853 3.578 1.00 0.00 C ATOM 348 O ALA A 57 26.574 29.231 3.412 1.00 0.00 O ATOM 349 CB ALA A 57 28.642 27.583 1.635 1.00 0.00 C ATOM 0 H ALA A 57 30.687 28.179 2.946 1.00 0.00 H new ATOM 0 HA ALA A 57 28.530 29.728 1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 57 27.640 27.486 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.371 27.602 0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 57 28.847 26.735 2.288 1.00 0.00 H new ATOM 355 N PHE A 58 28.122 28.406 4.735 1.00 0.00 N ATOM 356 CA PHE A 58 27.178 28.352 5.887 1.00 0.00 C ATOM 357 C PHE A 58 27.631 29.344 6.963 1.00 0.00 C ATOM 358 O PHE A 58 27.117 29.358 8.064 1.00 0.00 O ATOM 359 CB PHE A 58 27.169 26.939 6.473 1.00 0.00 C ATOM 360 CG PHE A 58 26.639 25.966 5.446 1.00 0.00 C ATOM 361 CD1 PHE A 58 27.460 25.541 4.393 1.00 0.00 C ATOM 362 CD2 PHE A 58 25.327 25.488 5.547 1.00 0.00 C ATOM 363 CE1 PHE A 58 26.969 24.638 3.444 1.00 0.00 C ATOM 364 CE2 PHE A 58 24.836 24.583 4.597 1.00 0.00 C ATOM 365 CZ PHE A 58 25.656 24.159 3.545 1.00 0.00 C ATOM 0 H PHE A 58 29.067 28.076 4.932 1.00 0.00 H new ATOM 0 HA PHE A 58 26.175 28.613 5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 58 28.177 26.653 6.773 1.00 0.00 H new ATOM 0 HB3 PHE A 58 26.549 26.910 7.369 1.00 0.00 H new ATOM 0 HD1 PHE A 58 28.472 25.911 4.314 1.00 0.00 H new ATOM 0 HD2 PHE A 58 24.693 25.817 6.357 1.00 0.00 H new ATOM 0 HE1 PHE A 58 27.602 24.310 2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 58 23.825 24.212 4.676 1.00 0.00 H new ATOM 0 HZ PHE A 58 25.277 23.463 2.811 1.00 0.00 H new ATOM 375 N SER A 59 28.597 30.167 6.655 1.00 0.00 N ATOM 376 CA SER A 59 29.089 31.151 7.661 1.00 0.00 C ATOM 377 C SER A 59 28.076 32.289 7.818 1.00 0.00 C ATOM 378 O SER A 59 27.574 32.540 8.896 1.00 0.00 O ATOM 379 CB SER A 59 30.429 31.724 7.197 1.00 0.00 C ATOM 380 OG SER A 59 30.525 33.084 7.593 1.00 0.00 O ATOM 0 H SER A 59 29.067 30.200 5.750 1.00 0.00 H new ATOM 0 HA SER A 59 29.215 30.650 8.621 1.00 0.00 H new ATOM 0 HB2 SER A 59 31.250 31.150 7.627 1.00 0.00 H new ATOM 0 HB3 SER A 59 30.516 31.643 6.114 1.00 0.00 H new ATOM 0 HG SER A 59 31.384 33.451 7.297 1.00 0.00 H new ATOM 386 N PRO A 60 27.779 32.997 6.718 1.00 0.00 N ATOM 387 CA PRO A 60 26.831 34.120 6.729 1.00 0.00 C ATOM 388 C PRO A 60 25.391 33.655 6.963 1.00 0.00 C ATOM 389 O PRO A 60 24.571 34.385 7.484 1.00 0.00 O ATOM 390 CB PRO A 60 26.968 34.717 5.328 1.00 0.00 C ATOM 391 CG PRO A 60 27.459 33.588 4.487 1.00 0.00 C ATOM 392 CD PRO A 60 28.341 32.758 5.377 1.00 0.00 C ATOM 0 HA PRO A 60 27.045 34.825 7.532 1.00 0.00 H new ATOM 0 HB2 PRO A 60 26.014 35.097 4.964 1.00 0.00 H new ATOM 0 HB3 PRO A 60 27.668 35.552 5.319 1.00 0.00 H new ATOM 0 HG2 PRO A 60 26.627 32.998 4.103 1.00 0.00 H new ATOM 0 HG3 PRO A 60 28.013 33.957 3.624 1.00 0.00 H new ATOM 0 HD2 PRO A 60 28.307 31.702 5.108 1.00 0.00 H new ATOM 0 HD3 PRO A 60 29.384 33.069 5.315 1.00 0.00 H new ATOM 400 N PHE A 61 25.074 32.448 6.583 1.00 0.00 N ATOM 401 CA PHE A 61 23.687 31.945 6.786 1.00 0.00 C ATOM 402 C PHE A 61 23.412 31.794 8.284 1.00 0.00 C ATOM 403 O PHE A 61 22.305 31.995 8.744 1.00 0.00 O ATOM 404 CB PHE A 61 23.530 30.587 6.100 1.00 0.00 C ATOM 405 CG PHE A 61 23.314 30.793 4.620 1.00 0.00 C ATOM 406 CD1 PHE A 61 24.414 30.893 3.761 1.00 0.00 C ATOM 407 CD2 PHE A 61 22.014 30.885 4.109 1.00 0.00 C ATOM 408 CE1 PHE A 61 24.216 31.084 2.389 1.00 0.00 C ATOM 409 CE2 PHE A 61 21.815 31.077 2.736 1.00 0.00 C ATOM 410 CZ PHE A 61 22.916 31.176 1.876 1.00 0.00 C ATOM 0 H PHE A 61 25.715 31.789 6.141 1.00 0.00 H new ATOM 0 HA PHE A 61 22.979 32.653 6.356 1.00 0.00 H new ATOM 0 HB2 PHE A 61 24.418 29.978 6.267 1.00 0.00 H new ATOM 0 HB3 PHE A 61 22.687 30.046 6.530 1.00 0.00 H new ATOM 0 HD1 PHE A 61 25.416 30.823 4.157 1.00 0.00 H new ATOM 0 HD2 PHE A 61 21.165 30.808 4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 61 25.065 31.160 1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 61 20.813 31.149 2.340 1.00 0.00 H new ATOM 0 HZ PHE A 61 22.763 31.323 0.817 1.00 0.00 H new ATOM 420 N GLY A 62 24.409 31.443 9.049 1.00 0.00 N ATOM 421 CA GLY A 62 24.200 31.280 10.516 1.00 0.00 C ATOM 422 C GLY A 62 25.511 30.841 11.173 1.00 0.00 C ATOM 423 O GLY A 62 26.541 30.761 10.534 1.00 0.00 O ATOM 0 H GLY A 62 25.358 31.262 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 62 23.859 32.219 10.952 1.00 0.00 H new ATOM 0 HA3 GLY A 62 23.422 30.540 10.703 1.00 0.00 H new ATOM 427 N ASN A 63 25.479 30.557 12.446 1.00 0.00 N ATOM 428 CA ASN A 63 26.723 30.122 13.144 1.00 0.00 C ATOM 429 C ASN A 63 26.788 28.594 13.165 1.00 0.00 C ATOM 430 O ASN A 63 25.797 27.924 13.373 1.00 0.00 O ATOM 431 CB ASN A 63 26.715 30.652 14.579 1.00 0.00 C ATOM 432 CG ASN A 63 26.746 32.182 14.558 1.00 0.00 C ATOM 433 OD1 ASN A 63 27.042 32.782 13.544 1.00 0.00 O ATOM 434 ND2 ASN A 63 26.452 32.843 15.644 1.00 0.00 N ATOM 0 H ASN A 63 24.646 30.607 13.033 1.00 0.00 H new ATOM 0 HA ASN A 63 27.592 30.515 12.617 1.00 0.00 H new ATOM 0 HB2 ASN A 63 25.825 30.303 15.102 1.00 0.00 H new ATOM 0 HB3 ASN A 63 27.577 30.268 15.125 1.00 0.00 H new ATOM 0 HD21 ASN A 63 26.471 33.863 15.641 1.00 0.00 H new ATOM 0 HD22 ASN A 63 26.203 32.340 16.496 1.00 0.00 H new ATOM 441 N ILE A 64 27.949 28.037 12.949 1.00 0.00 N ATOM 442 CA ILE A 64 28.076 26.553 12.955 1.00 0.00 C ATOM 443 C ILE A 64 28.691 26.097 14.280 1.00 0.00 C ATOM 444 O ILE A 64 29.703 26.611 14.715 1.00 0.00 O ATOM 445 CB ILE A 64 28.974 26.114 11.796 1.00 0.00 C ATOM 446 CG1 ILE A 64 28.421 26.673 10.484 1.00 0.00 C ATOM 447 CG2 ILE A 64 29.010 24.587 11.725 1.00 0.00 C ATOM 448 CD1 ILE A 64 29.439 26.448 9.364 1.00 0.00 C ATOM 0 H ILE A 64 28.814 28.546 12.769 1.00 0.00 H new ATOM 0 HA ILE A 64 27.090 26.104 12.841 1.00 0.00 H new ATOM 0 HB ILE A 64 29.984 26.492 11.956 1.00 0.00 H new ATOM 0 HG12 ILE A 64 27.479 26.184 10.237 1.00 0.00 H new ATOM 0 HG13 ILE A 64 28.210 27.737 10.590 1.00 0.00 H new ATOM 0 HG21 ILE A 64 29.650 24.276 10.899 1.00 0.00 H new ATOM 0 HG22 ILE A 64 29.405 24.189 12.660 1.00 0.00 H new ATOM 0 HG23 ILE A 64 28.001 24.206 11.565 1.00 0.00 H new ATOM 0 HD11 ILE A 64 29.045 26.846 8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 64 30.371 26.957 9.611 1.00 0.00 H new ATOM 0 HD13 ILE A 64 29.627 25.380 9.253 1.00 0.00 H new ATOM 460 N ILE A 65 28.089 25.136 14.925 1.00 0.00 N ATOM 461 CA ILE A 65 28.641 24.649 16.222 1.00 0.00 C ATOM 462 C ILE A 65 29.512 23.416 15.976 1.00 0.00 C ATOM 463 O ILE A 65 30.327 23.046 16.797 1.00 0.00 O ATOM 464 CB ILE A 65 27.490 24.284 17.163 1.00 0.00 C ATOM 465 CG1 ILE A 65 26.822 22.996 16.679 1.00 0.00 C ATOM 466 CG2 ILE A 65 26.464 25.418 17.177 1.00 0.00 C ATOM 467 CD1 ILE A 65 25.732 22.583 17.670 1.00 0.00 C ATOM 0 H ILE A 65 27.239 24.667 14.611 1.00 0.00 H new ATOM 0 HA ILE A 65 29.245 25.434 16.677 1.00 0.00 H new ATOM 0 HB ILE A 65 27.879 24.133 18.170 1.00 0.00 H new ATOM 0 HG12 ILE A 65 26.390 23.147 15.690 1.00 0.00 H new ATOM 0 HG13 ILE A 65 27.563 22.202 16.586 1.00 0.00 H new ATOM 0 HG21 ILE A 65 25.644 25.159 17.847 1.00 0.00 H new ATOM 0 HG22 ILE A 65 26.940 26.335 17.524 1.00 0.00 H new ATOM 0 HG23 ILE A 65 26.076 25.570 16.170 1.00 0.00 H new ATOM 0 HD11 ILE A 65 25.256 21.665 17.325 1.00 0.00 H new ATOM 0 HD12 ILE A 65 26.177 22.415 18.651 1.00 0.00 H new ATOM 0 HD13 ILE A 65 24.986 23.374 17.741 1.00 0.00 H new ATOM 479 N ASP A 66 29.347 22.776 14.850 1.00 0.00 N ATOM 480 CA ASP A 66 30.168 21.569 14.553 1.00 0.00 C ATOM 481 C ASP A 66 30.465 21.507 13.053 1.00 0.00 C ATOM 482 O ASP A 66 29.647 21.872 12.232 1.00 0.00 O ATOM 483 CB ASP A 66 29.401 20.315 14.974 1.00 0.00 C ATOM 484 CG ASP A 66 30.341 19.107 14.942 1.00 0.00 C ATOM 485 OD1 ASP A 66 31.499 19.293 14.609 1.00 0.00 O ATOM 486 OD2 ASP A 66 29.886 18.018 15.251 1.00 0.00 O ATOM 0 H ASP A 66 28.680 23.037 14.124 1.00 0.00 H new ATOM 0 HA ASP A 66 31.106 21.624 15.105 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.992 20.445 15.976 1.00 0.00 H new ATOM 0 HB3 ASP A 66 28.557 20.150 14.305 1.00 0.00 H new ATOM 491 N LEU A 67 31.630 21.044 12.690 1.00 0.00 N ATOM 492 CA LEU A 67 31.984 20.955 11.245 1.00 0.00 C ATOM 493 C LEU A 67 32.423 19.525 10.921 1.00 0.00 C ATOM 494 O LEU A 67 33.468 19.076 11.348 1.00 0.00 O ATOM 495 CB LEU A 67 33.131 21.923 10.943 1.00 0.00 C ATOM 496 CG LEU A 67 33.281 22.094 9.429 1.00 0.00 C ATOM 497 CD1 LEU A 67 33.776 20.784 8.811 1.00 0.00 C ATOM 498 CD2 LEU A 67 31.929 22.466 8.818 1.00 0.00 C ATOM 0 H LEU A 67 32.353 20.723 13.333 1.00 0.00 H new ATOM 0 HA LEU A 67 31.118 21.218 10.637 1.00 0.00 H new ATOM 0 HB2 LEU A 67 32.936 22.889 11.410 1.00 0.00 H new ATOM 0 HB3 LEU A 67 34.060 21.545 11.369 1.00 0.00 H new ATOM 0 HG LEU A 67 34.001 22.886 9.226 1.00 0.00 H new ATOM 0 HD11 LEU A 67 33.882 20.907 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 67 34.741 20.520 9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 67 33.057 19.991 9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 67 32.038 22.587 7.740 1.00 0.00 H new ATOM 0 HD22 LEU A 67 31.207 21.675 9.023 1.00 0.00 H new ATOM 0 HD23 LEU A 67 31.577 23.401 9.255 1.00 0.00 H new ATOM 510 N SER A 68 31.632 18.806 10.173 1.00 0.00 N ATOM 511 CA SER A 68 32.005 17.405 9.830 1.00 0.00 C ATOM 512 C SER A 68 32.162 17.272 8.313 1.00 0.00 C ATOM 513 O SER A 68 31.345 17.749 7.552 1.00 0.00 O ATOM 514 CB SER A 68 30.910 16.454 10.315 1.00 0.00 C ATOM 515 OG SER A 68 31.152 16.105 11.671 1.00 0.00 O ATOM 0 H SER A 68 30.745 19.127 9.785 1.00 0.00 H new ATOM 0 HA SER A 68 32.948 17.152 10.314 1.00 0.00 H new ATOM 0 HB2 SER A 68 29.933 16.928 10.219 1.00 0.00 H new ATOM 0 HB3 SER A 68 30.891 15.557 9.695 1.00 0.00 H new ATOM 0 HG SER A 68 30.449 15.497 11.983 1.00 0.00 H new ATOM 521 N MET A 69 33.205 16.624 7.870 1.00 0.00 N ATOM 522 CA MET A 69 33.412 16.458 6.404 1.00 0.00 C ATOM 523 C MET A 69 33.454 14.966 6.064 1.00 0.00 C ATOM 524 O MET A 69 33.920 14.156 6.841 1.00 0.00 O ATOM 525 CB MET A 69 34.735 17.110 5.996 1.00 0.00 C ATOM 526 CG MET A 69 34.667 18.615 6.268 1.00 0.00 C ATOM 527 SD MET A 69 33.439 19.371 5.173 1.00 0.00 S ATOM 528 CE MET A 69 34.097 18.727 3.615 1.00 0.00 C ATOM 0 H MET A 69 33.922 16.203 8.460 1.00 0.00 H new ATOM 0 HA MET A 69 32.593 16.934 5.865 1.00 0.00 H new ATOM 0 HB2 MET A 69 35.559 16.666 6.554 1.00 0.00 H new ATOM 0 HB3 MET A 69 34.931 16.929 4.939 1.00 0.00 H new ATOM 0 HG2 MET A 69 34.401 18.796 7.310 1.00 0.00 H new ATOM 0 HG3 MET A 69 35.644 19.069 6.105 1.00 0.00 H new ATOM 0 HE1 MET A 69 33.878 19.428 2.810 1.00 0.00 H new ATOM 0 HE2 MET A 69 35.176 18.599 3.701 1.00 0.00 H new ATOM 0 HE3 MET A 69 33.634 17.765 3.394 1.00 0.00 H new ATOM 538 N ASP A 70 32.971 14.594 4.910 1.00 0.00 N ATOM 539 CA ASP A 70 32.985 13.154 4.525 1.00 0.00 C ATOM 540 C ASP A 70 33.599 13.004 3.131 1.00 0.00 C ATOM 541 O ASP A 70 32.922 13.118 2.130 1.00 0.00 O ATOM 542 CB ASP A 70 31.552 12.618 4.510 1.00 0.00 C ATOM 543 CG ASP A 70 31.393 11.559 5.603 1.00 0.00 C ATOM 544 OD1 ASP A 70 31.538 11.909 6.763 1.00 0.00 O ATOM 545 OD2 ASP A 70 31.126 10.418 5.262 1.00 0.00 O ATOM 0 H ASP A 70 32.567 15.225 4.217 1.00 0.00 H new ATOM 0 HA ASP A 70 33.578 12.591 5.246 1.00 0.00 H new ATOM 0 HB2 ASP A 70 30.846 13.432 4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 70 31.323 12.187 3.535 1.00 0.00 H new ATOM 550 N PRO A 71 34.914 12.743 3.073 1.00 0.00 N ATOM 551 CA PRO A 71 35.629 12.575 1.808 1.00 0.00 C ATOM 552 C PRO A 71 35.356 11.224 1.115 1.00 0.00 C ATOM 553 O PRO A 71 35.444 11.132 -0.093 1.00 0.00 O ATOM 554 CB PRO A 71 37.100 12.678 2.207 1.00 0.00 C ATOM 555 CG PRO A 71 37.149 12.284 3.646 1.00 0.00 C ATOM 556 CD PRO A 71 35.801 12.597 4.244 1.00 0.00 C ATOM 0 HA PRO A 71 35.309 13.321 1.080 1.00 0.00 H new ATOM 0 HB2 PRO A 71 37.719 12.019 1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.476 13.691 2.064 1.00 0.00 H new ATOM 0 HG2 PRO A 71 37.376 11.223 3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.936 12.829 4.167 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.462 11.798 4.904 1.00 0.00 H new ATOM 0 HD3 PRO A 71 35.831 13.510 4.838 1.00 0.00 H new ATOM 564 N PRO A 72 35.024 10.149 1.867 1.00 0.00 N ATOM 565 CA PRO A 72 34.759 8.840 1.259 1.00 0.00 C ATOM 566 C PRO A 72 33.394 8.799 0.566 1.00 0.00 C ATOM 567 O PRO A 72 33.150 7.981 -0.298 1.00 0.00 O ATOM 568 CB PRO A 72 34.771 7.878 2.442 1.00 0.00 C ATOM 569 CG PRO A 72 34.409 8.713 3.622 1.00 0.00 C ATOM 570 CD PRO A 72 34.883 10.112 3.337 1.00 0.00 C ATOM 0 HA PRO A 72 35.492 8.596 0.490 1.00 0.00 H new ATOM 0 HB2 PRO A 72 34.057 7.067 2.298 1.00 0.00 H new ATOM 0 HB3 PRO A 72 35.752 7.420 2.568 1.00 0.00 H new ATOM 0 HG2 PRO A 72 33.332 8.698 3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 72 34.877 8.325 4.527 1.00 0.00 H new ATOM 0 HD2 PRO A 72 34.167 10.855 3.688 1.00 0.00 H new ATOM 0 HD3 PRO A 72 35.830 10.322 3.834 1.00 0.00 H new ATOM 578 N ARG A 73 32.502 9.675 0.940 1.00 0.00 N ATOM 579 CA ARG A 73 31.155 9.683 0.302 1.00 0.00 C ATOM 580 C ARG A 73 30.960 10.991 -0.469 1.00 0.00 C ATOM 581 O ARG A 73 29.903 11.253 -1.008 1.00 0.00 O ATOM 582 CB ARG A 73 30.077 9.563 1.382 1.00 0.00 C ATOM 583 CG ARG A 73 30.213 8.212 2.087 1.00 0.00 C ATOM 584 CD ARG A 73 29.046 8.023 3.058 1.00 0.00 C ATOM 585 NE ARG A 73 29.297 6.825 3.909 1.00 0.00 N ATOM 586 CZ ARG A 73 29.034 5.632 3.451 1.00 0.00 C ATOM 587 NH1 ARG A 73 27.899 5.400 2.847 1.00 0.00 N ATOM 588 NH2 ARG A 73 29.904 4.671 3.596 1.00 0.00 N ATOM 0 H ARG A 73 32.647 10.384 1.658 1.00 0.00 H new ATOM 0 HA ARG A 73 31.076 8.841 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 73 30.177 10.374 2.103 1.00 0.00 H new ATOM 0 HB3 ARG A 73 29.087 9.655 0.935 1.00 0.00 H new ATOM 0 HG2 ARG A 73 30.223 7.406 1.353 1.00 0.00 H new ATOM 0 HG3 ARG A 73 31.159 8.165 2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 73 28.932 8.909 3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 73 28.115 7.901 2.505 1.00 0.00 H new ATOM 0 HE ARG A 73 29.675 6.938 4.850 1.00 0.00 H new ATOM 0 HH11 ARG A 73 27.219 6.151 2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 73 27.693 4.467 2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 73 30.790 4.852 4.068 1.00 0.00 H new ATOM 0 HH22 ARG A 73 29.698 3.738 3.238 1.00 0.00 H new ATOM 602 N ASN A 74 31.972 11.816 -0.527 1.00 0.00 N ATOM 603 CA ASN A 74 31.839 13.104 -1.265 1.00 0.00 C ATOM 604 C ASN A 74 30.706 13.929 -0.653 1.00 0.00 C ATOM 605 O ASN A 74 29.853 14.441 -1.349 1.00 0.00 O ATOM 606 CB ASN A 74 31.524 12.820 -2.735 1.00 0.00 C ATOM 607 CG ASN A 74 32.677 12.036 -3.364 1.00 0.00 C ATOM 608 OD1 ASN A 74 33.779 12.038 -2.852 1.00 0.00 O ATOM 609 ND2 ASN A 74 32.469 11.361 -4.460 1.00 0.00 N ATOM 0 H ASN A 74 32.882 11.653 -0.096 1.00 0.00 H new ATOM 0 HA ASN A 74 32.774 13.660 -1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 74 30.598 12.252 -2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 74 31.371 13.756 -3.272 1.00 0.00 H new ATOM 0 HD21 ASN A 74 33.231 10.835 -4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 74 31.544 11.359 -4.890 1.00 0.00 H new ATOM 616 N CYS A 75 30.690 14.063 0.644 1.00 0.00 N ATOM 617 CA CYS A 75 29.611 14.856 1.297 1.00 0.00 C ATOM 618 C CYS A 75 30.133 15.451 2.605 1.00 0.00 C ATOM 619 O CYS A 75 31.039 14.926 3.221 1.00 0.00 O ATOM 620 CB CYS A 75 28.418 13.945 1.593 1.00 0.00 C ATOM 621 SG CYS A 75 28.885 12.728 2.848 1.00 0.00 S ATOM 0 H CYS A 75 31.377 13.658 1.280 1.00 0.00 H new ATOM 0 HA CYS A 75 29.299 15.661 0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 75 27.572 14.537 1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 75 28.098 13.439 0.682 1.00 0.00 H new ATOM 0 HG CYS A 75 28.497 13.141 4.018 1.00 0.00 H new ATOM 627 N ALA A 76 29.565 16.544 3.036 1.00 0.00 N ATOM 628 CA ALA A 76 30.024 17.173 4.305 1.00 0.00 C ATOM 629 C ALA A 76 28.822 17.390 5.226 1.00 0.00 C ATOM 630 O ALA A 76 27.690 17.419 4.786 1.00 0.00 O ATOM 631 CB ALA A 76 30.685 18.519 4.000 1.00 0.00 C ATOM 0 H ALA A 76 28.802 17.028 2.563 1.00 0.00 H new ATOM 0 HA ALA A 76 30.746 16.520 4.795 1.00 0.00 H new ATOM 0 HB1 ALA A 76 31.021 18.979 4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 76 31.540 18.364 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 76 29.965 19.175 3.510 1.00 0.00 H new ATOM 637 N PHE A 77 29.057 17.542 6.500 1.00 0.00 N ATOM 638 CA PHE A 77 27.924 17.756 7.443 1.00 0.00 C ATOM 639 C PHE A 77 28.160 19.036 8.245 1.00 0.00 C ATOM 640 O PHE A 77 29.190 19.213 8.863 1.00 0.00 O ATOM 641 CB PHE A 77 27.824 16.564 8.398 1.00 0.00 C ATOM 642 CG PHE A 77 27.405 15.337 7.624 1.00 0.00 C ATOM 643 CD1 PHE A 77 26.049 15.086 7.388 1.00 0.00 C ATOM 644 CD2 PHE A 77 28.375 14.450 7.141 1.00 0.00 C ATOM 645 CE1 PHE A 77 25.661 13.948 6.670 1.00 0.00 C ATOM 646 CE2 PHE A 77 27.989 13.312 6.423 1.00 0.00 C ATOM 647 CZ PHE A 77 26.632 13.062 6.187 1.00 0.00 C ATOM 0 H PHE A 77 29.983 17.527 6.928 1.00 0.00 H new ATOM 0 HA PHE A 77 26.995 17.849 6.880 1.00 0.00 H new ATOM 0 HB2 PHE A 77 28.784 16.391 8.884 1.00 0.00 H new ATOM 0 HB3 PHE A 77 27.101 16.775 9.186 1.00 0.00 H new ATOM 0 HD1 PHE A 77 25.301 15.770 7.760 1.00 0.00 H new ATOM 0 HD2 PHE A 77 29.422 14.644 7.323 1.00 0.00 H new ATOM 0 HE1 PHE A 77 24.614 13.754 6.489 1.00 0.00 H new ATOM 0 HE2 PHE A 77 28.737 12.628 6.052 1.00 0.00 H new ATOM 0 HZ PHE A 77 26.334 12.185 5.632 1.00 0.00 H new ATOM 657 N VAL A 78 27.212 19.933 8.239 1.00 0.00 N ATOM 658 CA VAL A 78 27.380 21.202 9.000 1.00 0.00 C ATOM 659 C VAL A 78 26.298 21.298 10.077 1.00 0.00 C ATOM 660 O VAL A 78 25.163 20.922 9.863 1.00 0.00 O ATOM 661 CB VAL A 78 27.253 22.389 8.045 1.00 0.00 C ATOM 662 CG1 VAL A 78 27.455 23.693 8.820 1.00 0.00 C ATOM 663 CG2 VAL A 78 28.313 22.278 6.947 1.00 0.00 C ATOM 0 H VAL A 78 26.328 19.841 7.739 1.00 0.00 H new ATOM 0 HA VAL A 78 28.363 21.216 9.470 1.00 0.00 H new ATOM 0 HB VAL A 78 26.261 22.386 7.593 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.364 24.539 8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 78 26.699 23.773 9.601 1.00 0.00 H new ATOM 0 HG13 VAL A 78 28.446 23.697 9.273 1.00 0.00 H new ATOM 0 HG21 VAL A 78 28.222 23.125 6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 78 29.305 22.280 7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 78 28.168 21.350 6.394 1.00 0.00 H new ATOM 673 N THR A 79 26.639 21.801 11.233 1.00 0.00 N ATOM 674 CA THR A 79 25.625 21.922 12.318 1.00 0.00 C ATOM 675 C THR A 79 25.276 23.398 12.529 1.00 0.00 C ATOM 676 O THR A 79 26.144 24.230 12.706 1.00 0.00 O ATOM 677 CB THR A 79 26.193 21.341 13.616 1.00 0.00 C ATOM 678 OG1 THR A 79 26.694 20.035 13.368 1.00 0.00 O ATOM 679 CG2 THR A 79 25.089 21.275 14.672 1.00 0.00 C ATOM 0 H THR A 79 27.574 22.132 11.472 1.00 0.00 H new ATOM 0 HA THR A 79 24.726 21.373 12.037 1.00 0.00 H new ATOM 0 HB THR A 79 27.001 21.977 13.978 1.00 0.00 H new ATOM 0 HG1 THR A 79 26.469 19.450 14.121 1.00 0.00 H new ATOM 0 HG21 THR A 79 25.493 20.861 15.596 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.706 22.278 14.861 1.00 0.00 H new ATOM 0 HG23 THR A 79 24.280 20.639 14.313 1.00 0.00 H new ATOM 687 N TYR A 80 24.014 23.728 12.508 1.00 0.00 N ATOM 688 CA TYR A 80 23.614 25.151 12.705 1.00 0.00 C ATOM 689 C TYR A 80 23.068 25.337 14.123 1.00 0.00 C ATOM 690 O TYR A 80 22.488 24.439 14.698 1.00 0.00 O ATOM 691 CB TYR A 80 22.532 25.523 11.690 1.00 0.00 C ATOM 692 CG TYR A 80 23.161 26.241 10.521 1.00 0.00 C ATOM 693 CD1 TYR A 80 24.126 27.230 10.745 1.00 0.00 C ATOM 694 CD2 TYR A 80 22.779 25.920 9.212 1.00 0.00 C ATOM 695 CE1 TYR A 80 24.710 27.897 9.662 1.00 0.00 C ATOM 696 CE2 TYR A 80 23.363 26.587 8.129 1.00 0.00 C ATOM 697 CZ TYR A 80 24.328 27.575 8.353 1.00 0.00 C ATOM 698 OH TYR A 80 24.903 28.233 7.285 1.00 0.00 O ATOM 0 H TYR A 80 23.243 23.076 12.363 1.00 0.00 H new ATOM 0 HA TYR A 80 24.482 25.794 12.563 1.00 0.00 H new ATOM 0 HB2 TYR A 80 22.018 24.626 11.345 1.00 0.00 H new ATOM 0 HB3 TYR A 80 21.782 26.159 12.160 1.00 0.00 H new ATOM 0 HD1 TYR A 80 24.420 27.478 11.754 1.00 0.00 H new ATOM 0 HD2 TYR A 80 22.034 25.158 9.039 1.00 0.00 H new ATOM 0 HE1 TYR A 80 25.455 28.660 9.835 1.00 0.00 H new ATOM 0 HE2 TYR A 80 23.069 26.339 7.120 1.00 0.00 H new ATOM 0 HH TYR A 80 25.402 29.011 7.610 1.00 0.00 H new ATOM 708 N GLU A 81 23.247 26.500 14.689 1.00 0.00 N ATOM 709 CA GLU A 81 22.735 26.743 16.067 1.00 0.00 C ATOM 710 C GLU A 81 21.216 26.923 16.017 1.00 0.00 C ATOM 711 O GLU A 81 20.525 26.727 16.997 1.00 0.00 O ATOM 712 CB GLU A 81 23.380 28.008 16.636 1.00 0.00 C ATOM 713 CG GLU A 81 22.990 28.162 18.108 1.00 0.00 C ATOM 714 CD GLU A 81 23.499 29.506 18.633 1.00 0.00 C ATOM 715 OE1 GLU A 81 24.112 30.227 17.864 1.00 0.00 O ATOM 716 OE2 GLU A 81 23.265 29.791 19.796 1.00 0.00 O ATOM 0 H GLU A 81 23.725 27.291 14.257 1.00 0.00 H new ATOM 0 HA GLU A 81 22.982 25.893 16.704 1.00 0.00 H new ATOM 0 HB2 GLU A 81 24.464 27.951 16.540 1.00 0.00 H new ATOM 0 HB3 GLU A 81 23.055 28.881 16.070 1.00 0.00 H new ATOM 0 HG2 GLU A 81 21.907 28.104 18.216 1.00 0.00 H new ATOM 0 HG3 GLU A 81 23.413 27.347 18.695 1.00 0.00 H new ATOM 723 N LYS A 82 20.692 27.292 14.881 1.00 0.00 N ATOM 724 CA LYS A 82 19.219 27.483 14.764 1.00 0.00 C ATOM 725 C LYS A 82 18.710 26.755 13.518 1.00 0.00 C ATOM 726 O LYS A 82 19.308 26.820 12.462 1.00 0.00 O ATOM 727 CB LYS A 82 18.907 28.976 14.646 1.00 0.00 C ATOM 728 CG LYS A 82 19.348 29.692 15.923 1.00 0.00 C ATOM 729 CD LYS A 82 18.944 31.167 15.847 1.00 0.00 C ATOM 730 CE LYS A 82 19.463 31.902 17.084 1.00 0.00 C ATOM 731 NZ LYS A 82 20.719 32.626 16.741 1.00 0.00 N ATOM 0 H LYS A 82 21.221 27.470 14.027 1.00 0.00 H new ATOM 0 HA LYS A 82 18.727 27.078 15.648 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.422 29.399 13.783 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.839 29.123 14.484 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.889 29.223 16.793 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.427 29.606 16.047 1.00 0.00 H new ATOM 0 HD2 LYS A 82 19.352 31.621 14.944 1.00 0.00 H new ATOM 0 HD3 LYS A 82 17.859 31.255 15.787 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.712 32.605 17.444 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.648 31.193 17.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.072 33.126 17.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 21.435 31.945 16.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 20.528 33.313 15.984 1.00 0.00 H new ATOM 745 N MET A 83 17.611 26.061 13.631 1.00 0.00 N ATOM 746 CA MET A 83 17.067 25.329 12.453 1.00 0.00 C ATOM 747 C MET A 83 16.741 26.327 11.338 1.00 0.00 C ATOM 748 O MET A 83 16.585 25.961 10.190 1.00 0.00 O ATOM 749 CB MET A 83 15.795 24.582 12.860 1.00 0.00 C ATOM 750 CG MET A 83 16.132 23.563 13.952 1.00 0.00 C ATOM 751 SD MET A 83 14.701 22.494 14.244 1.00 0.00 S ATOM 752 CE MET A 83 15.239 21.824 15.837 1.00 0.00 C ATOM 0 H MET A 83 17.066 25.969 14.488 1.00 0.00 H new ATOM 0 HA MET A 83 17.808 24.614 12.094 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.047 25.286 13.223 1.00 0.00 H new ATOM 0 HB3 MET A 83 15.364 24.076 11.996 1.00 0.00 H new ATOM 0 HG2 MET A 83 16.992 22.964 13.652 1.00 0.00 H new ATOM 0 HG3 MET A 83 16.408 24.078 14.872 1.00 0.00 H new ATOM 0 HE1 MET A 83 14.490 21.126 16.210 1.00 0.00 H new ATOM 0 HE2 MET A 83 16.189 21.304 15.711 1.00 0.00 H new ATOM 0 HE3 MET A 83 15.363 22.638 16.551 1.00 0.00 H new ATOM 762 N GLU A 84 16.639 27.586 11.667 1.00 0.00 N ATOM 763 CA GLU A 84 16.324 28.604 10.627 1.00 0.00 C ATOM 764 C GLU A 84 17.534 28.788 9.709 1.00 0.00 C ATOM 765 O GLU A 84 17.404 28.887 8.505 1.00 0.00 O ATOM 766 CB GLU A 84 15.988 29.936 11.301 1.00 0.00 C ATOM 767 CG GLU A 84 14.673 29.801 12.072 1.00 0.00 C ATOM 768 CD GLU A 84 14.299 31.152 12.682 1.00 0.00 C ATOM 769 OE1 GLU A 84 15.124 32.050 12.635 1.00 0.00 O ATOM 770 OE2 GLU A 84 13.194 31.266 13.187 1.00 0.00 O ATOM 0 H GLU A 84 16.760 27.953 12.611 1.00 0.00 H new ATOM 0 HA GLU A 84 15.470 28.269 10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.791 30.225 11.979 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.904 30.723 10.552 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.881 29.459 11.405 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.774 29.051 12.857 1.00 0.00 H new ATOM 777 N SER A 85 18.712 28.835 10.268 1.00 0.00 N ATOM 778 CA SER A 85 19.929 29.012 9.427 1.00 0.00 C ATOM 779 C SER A 85 20.040 27.849 8.440 1.00 0.00 C ATOM 780 O SER A 85 20.407 28.025 7.296 1.00 0.00 O ATOM 781 CB SER A 85 21.168 29.042 10.323 1.00 0.00 C ATOM 782 OG SER A 85 22.331 29.172 9.519 1.00 0.00 O ATOM 0 H SER A 85 18.884 28.758 11.270 1.00 0.00 H new ATOM 0 HA SER A 85 19.857 29.950 8.876 1.00 0.00 H new ATOM 0 HB2 SER A 85 21.103 29.874 11.024 1.00 0.00 H new ATOM 0 HB3 SER A 85 21.223 28.129 10.916 1.00 0.00 H new ATOM 0 HG SER A 85 22.773 28.301 9.439 1.00 0.00 H new ATOM 788 N ALA A 86 19.727 26.658 8.876 1.00 0.00 N ATOM 789 CA ALA A 86 19.815 25.484 7.962 1.00 0.00 C ATOM 790 C ALA A 86 18.808 25.648 6.821 1.00 0.00 C ATOM 791 O ALA A 86 19.104 25.371 5.675 1.00 0.00 O ATOM 792 CB ALA A 86 19.499 24.205 8.742 1.00 0.00 C ATOM 0 H ALA A 86 19.415 26.448 9.824 1.00 0.00 H new ATOM 0 HA ALA A 86 20.822 25.419 7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 86 19.563 23.346 8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 86 20.216 24.087 9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 86 18.492 24.270 9.154 1.00 0.00 H new ATOM 798 N ASP A 87 17.620 26.094 7.125 1.00 0.00 N ATOM 799 CA ASP A 87 16.597 26.273 6.056 1.00 0.00 C ATOM 800 C ASP A 87 17.048 27.374 5.094 1.00 0.00 C ATOM 801 O ASP A 87 16.878 27.271 3.895 1.00 0.00 O ATOM 802 CB ASP A 87 15.261 26.667 6.690 1.00 0.00 C ATOM 803 CG ASP A 87 14.173 26.688 5.614 1.00 0.00 C ATOM 804 OD1 ASP A 87 14.453 26.257 4.508 1.00 0.00 O ATOM 805 OD2 ASP A 87 13.079 27.136 5.914 1.00 0.00 O ATOM 0 H ASP A 87 17.314 26.342 8.066 1.00 0.00 H new ATOM 0 HA ASP A 87 16.479 25.338 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.997 25.960 7.476 1.00 0.00 H new ATOM 0 HB3 ASP A 87 15.344 27.648 7.158 1.00 0.00 H new ATOM 810 N GLN A 88 17.620 28.428 5.607 1.00 0.00 N ATOM 811 CA GLN A 88 18.079 29.534 4.720 1.00 0.00 C ATOM 812 C GLN A 88 19.273 29.063 3.888 1.00 0.00 C ATOM 813 O GLN A 88 19.375 29.353 2.713 1.00 0.00 O ATOM 814 CB GLN A 88 18.497 30.734 5.572 1.00 0.00 C ATOM 815 CG GLN A 88 18.877 31.900 4.658 1.00 0.00 C ATOM 816 CD GLN A 88 19.401 33.063 5.503 1.00 0.00 C ATOM 817 OE1 GLN A 88 20.351 32.910 6.245 1.00 0.00 O ATOM 818 NE2 GLN A 88 18.816 34.226 5.422 1.00 0.00 N ATOM 0 H GLN A 88 17.790 28.571 6.603 1.00 0.00 H new ATOM 0 HA GLN A 88 17.265 29.824 4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.681 31.027 6.232 1.00 0.00 H new ATOM 0 HB3 GLN A 88 19.341 30.466 6.208 1.00 0.00 H new ATOM 0 HG2 GLN A 88 19.638 31.583 3.945 1.00 0.00 H new ATOM 0 HG3 GLN A 88 18.010 32.219 4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.019 34.353 4.799 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.156 35.008 5.982 1.00 0.00 H new ATOM 827 N ALA A 89 20.179 28.341 4.488 1.00 0.00 N ATOM 828 CA ALA A 89 21.366 27.855 3.730 1.00 0.00 C ATOM 829 C ALA A 89 20.951 26.710 2.805 1.00 0.00 C ATOM 830 O ALA A 89 21.358 26.642 1.663 1.00 0.00 O ATOM 831 CB ALA A 89 22.428 27.356 4.713 1.00 0.00 C ATOM 0 H ALA A 89 20.149 28.067 5.470 1.00 0.00 H new ATOM 0 HA ALA A 89 21.774 28.671 3.134 1.00 0.00 H new ATOM 0 HB1 ALA A 89 23.297 27.000 4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 89 22.726 28.172 5.372 1.00 0.00 H new ATOM 0 HB3 ALA A 89 22.018 26.540 5.309 1.00 0.00 H new ATOM 837 N VAL A 90 20.146 25.806 3.291 1.00 0.00 N ATOM 838 CA VAL A 90 19.708 24.662 2.442 1.00 0.00 C ATOM 839 C VAL A 90 18.961 25.186 1.213 1.00 0.00 C ATOM 840 O VAL A 90 19.016 24.606 0.148 1.00 0.00 O ATOM 841 CB VAL A 90 18.778 23.757 3.252 1.00 0.00 C ATOM 842 CG1 VAL A 90 18.133 22.726 2.322 1.00 0.00 C ATOM 843 CG2 VAL A 90 19.582 23.033 4.334 1.00 0.00 C ATOM 0 H VAL A 90 19.772 25.810 4.240 1.00 0.00 H new ATOM 0 HA VAL A 90 20.582 24.097 2.119 1.00 0.00 H new ATOM 0 HB VAL A 90 18.002 24.362 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 90 17.470 22.081 2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 90 17.559 23.240 1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 90 18.910 22.122 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.918 22.389 4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.359 22.428 3.866 1.00 0.00 H new ATOM 0 HG23 VAL A 90 20.042 23.766 4.997 1.00 0.00 H new ATOM 853 N ALA A 91 18.255 26.275 1.353 1.00 0.00 N ATOM 854 CA ALA A 91 17.499 26.828 0.194 1.00 0.00 C ATOM 855 C ALA A 91 18.439 27.621 -0.718 1.00 0.00 C ATOM 856 O ALA A 91 18.474 27.418 -1.916 1.00 0.00 O ATOM 857 CB ALA A 91 16.391 27.752 0.703 1.00 0.00 C ATOM 0 H ALA A 91 18.169 26.805 2.220 1.00 0.00 H new ATOM 0 HA ALA A 91 17.063 26.004 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 91 15.837 28.157 -0.144 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.713 27.188 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 91 16.832 28.570 1.273 1.00 0.00 H new ATOM 863 N GLU A 92 19.192 28.531 -0.165 1.00 0.00 N ATOM 864 CA GLU A 92 20.118 29.346 -1.003 1.00 0.00 C ATOM 865 C GLU A 92 21.303 28.492 -1.461 1.00 0.00 C ATOM 866 O GLU A 92 21.714 28.550 -2.603 1.00 0.00 O ATOM 867 CB GLU A 92 20.633 30.530 -0.183 1.00 0.00 C ATOM 868 CG GLU A 92 19.454 31.396 0.264 1.00 0.00 C ATOM 869 CD GLU A 92 18.777 32.009 -0.965 1.00 0.00 C ATOM 870 OE1 GLU A 92 19.382 31.985 -2.023 1.00 0.00 O ATOM 871 OE2 GLU A 92 17.665 32.492 -0.825 1.00 0.00 O ATOM 0 H GLU A 92 19.207 28.746 0.832 1.00 0.00 H new ATOM 0 HA GLU A 92 19.581 29.708 -1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 92 21.184 30.171 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 92 21.328 31.123 -0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 92 18.739 30.794 0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 92 19.800 32.184 0.933 1.00 0.00 H new ATOM 878 N LEU A 93 21.863 27.709 -0.581 1.00 0.00 N ATOM 879 CA LEU A 93 23.028 26.864 -0.972 1.00 0.00 C ATOM 880 C LEU A 93 22.576 25.771 -1.944 1.00 0.00 C ATOM 881 O LEU A 93 23.290 25.405 -2.855 1.00 0.00 O ATOM 882 CB LEU A 93 23.634 26.221 0.276 1.00 0.00 C ATOM 883 CG LEU A 93 24.038 27.315 1.268 1.00 0.00 C ATOM 884 CD1 LEU A 93 24.904 26.708 2.373 1.00 0.00 C ATOM 885 CD2 LEU A 93 24.832 28.400 0.536 1.00 0.00 C ATOM 0 H LEU A 93 21.566 27.617 0.390 1.00 0.00 H new ATOM 0 HA LEU A 93 23.776 27.489 -1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 93 22.913 25.545 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 93 24.503 25.622 0.004 1.00 0.00 H new ATOM 0 HG LEU A 93 23.143 27.754 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 93 25.192 27.487 3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 93 24.339 25.936 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 93 25.799 26.268 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 93 25.120 29.179 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 93 25.727 27.961 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 93 24.215 28.834 -0.251 1.00 0.00 H new ATOM 897 N ASN A 94 21.396 25.245 -1.758 1.00 0.00 N ATOM 898 CA ASN A 94 20.909 24.176 -2.674 1.00 0.00 C ATOM 899 C ASN A 94 20.459 24.804 -3.995 1.00 0.00 C ATOM 900 O ASN A 94 19.710 25.759 -4.017 1.00 0.00 O ATOM 901 CB ASN A 94 19.730 23.447 -2.029 1.00 0.00 C ATOM 902 CG ASN A 94 19.375 22.215 -2.863 1.00 0.00 C ATOM 903 OD1 ASN A 94 20.036 21.915 -3.837 1.00 0.00 O ATOM 904 ND2 ASN A 94 18.351 21.481 -2.521 1.00 0.00 N ATOM 0 H ASN A 94 20.750 25.509 -1.014 1.00 0.00 H new ATOM 0 HA ASN A 94 21.714 23.466 -2.863 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.985 23.150 -1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.870 24.113 -1.960 1.00 0.00 H new ATOM 0 HD21 ASN A 94 18.107 20.657 -3.071 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.795 21.731 -1.704 1.00 0.00 H new ATOM 911 N GLY A 95 20.909 24.271 -5.098 1.00 0.00 N ATOM 912 CA GLY A 95 20.505 24.836 -6.417 1.00 0.00 C ATOM 913 C GLY A 95 21.560 25.835 -6.893 1.00 0.00 C ATOM 914 O GLY A 95 21.298 26.680 -7.727 1.00 0.00 O ATOM 0 H GLY A 95 21.538 23.470 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 95 20.392 24.035 -7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 95 19.536 25.328 -6.332 1.00 0.00 H new ATOM 918 N THR A 96 22.754 25.747 -6.373 1.00 0.00 N ATOM 919 CA THR A 96 23.823 26.693 -6.800 1.00 0.00 C ATOM 920 C THR A 96 24.973 25.910 -7.436 1.00 0.00 C ATOM 921 O THR A 96 25.156 24.737 -7.178 1.00 0.00 O ATOM 922 CB THR A 96 24.343 27.462 -5.581 1.00 0.00 C ATOM 923 OG1 THR A 96 25.145 26.601 -4.786 1.00 0.00 O ATOM 924 CG2 THR A 96 23.160 27.969 -4.754 1.00 0.00 C ATOM 0 H THR A 96 23.035 25.062 -5.672 1.00 0.00 H new ATOM 0 HA THR A 96 23.416 27.396 -7.527 1.00 0.00 H new ATOM 0 HB THR A 96 24.941 28.310 -5.914 1.00 0.00 H new ATOM 0 HG1 THR A 96 24.588 26.176 -4.101 1.00 0.00 H new ATOM 0 HG21 THR A 96 23.530 28.516 -3.887 1.00 0.00 H new ATOM 0 HG22 THR A 96 22.546 28.630 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 96 22.560 27.122 -4.420 1.00 0.00 H new ATOM 932 N GLN A 97 25.749 26.549 -8.268 1.00 0.00 N ATOM 933 CA GLN A 97 26.886 25.839 -8.920 1.00 0.00 C ATOM 934 C GLN A 97 28.181 26.616 -8.672 1.00 0.00 C ATOM 935 O GLN A 97 28.171 27.818 -8.496 1.00 0.00 O ATOM 936 CB GLN A 97 26.630 25.742 -10.425 1.00 0.00 C ATOM 937 CG GLN A 97 27.767 24.958 -11.086 1.00 0.00 C ATOM 938 CD GLN A 97 27.514 24.865 -12.592 1.00 0.00 C ATOM 939 OE1 GLN A 97 26.471 25.260 -13.070 1.00 0.00 O ATOM 940 NE2 GLN A 97 28.433 24.353 -13.365 1.00 0.00 N ATOM 0 H GLN A 97 25.645 27.531 -8.524 1.00 0.00 H new ATOM 0 HA GLN A 97 26.977 24.837 -8.501 1.00 0.00 H new ATOM 0 HB2 GLN A 97 25.677 25.248 -10.612 1.00 0.00 H new ATOM 0 HB3 GLN A 97 26.562 26.740 -10.858 1.00 0.00 H new ATOM 0 HG2 GLN A 97 28.721 25.450 -10.896 1.00 0.00 H new ATOM 0 HG3 GLN A 97 27.833 23.959 -10.655 1.00 0.00 H new ATOM 0 HE21 GLN A 97 29.310 24.021 -12.964 1.00 0.00 H new ATOM 0 HE22 GLN A 97 28.274 24.285 -14.370 1.00 0.00 H new ATOM 949 N VAL A 98 29.296 25.938 -8.657 1.00 0.00 N ATOM 950 CA VAL A 98 30.590 26.639 -8.419 1.00 0.00 C ATOM 951 C VAL A 98 31.300 26.862 -9.757 1.00 0.00 C ATOM 952 O VAL A 98 30.684 26.863 -10.804 1.00 0.00 O ATOM 953 CB VAL A 98 31.478 25.787 -7.505 1.00 0.00 C ATOM 954 CG1 VAL A 98 32.378 26.702 -6.673 1.00 0.00 C ATOM 955 CG2 VAL A 98 30.601 24.951 -6.569 1.00 0.00 C ATOM 0 H VAL A 98 29.367 24.930 -8.799 1.00 0.00 H new ATOM 0 HA VAL A 98 30.399 27.600 -7.942 1.00 0.00 H new ATOM 0 HB VAL A 98 32.092 25.124 -8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 98 33.010 26.097 -6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 98 33.005 27.297 -7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 98 31.761 27.365 -6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 98 31.235 24.346 -5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 98 29.985 25.613 -5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 98 29.958 24.298 -7.159 1.00 0.00 H new ATOM 965 N GLU A 99 32.592 27.051 -9.731 1.00 0.00 N ATOM 966 CA GLU A 99 33.337 27.273 -11.003 1.00 0.00 C ATOM 967 C GLU A 99 33.069 26.112 -11.962 1.00 0.00 C ATOM 968 O GLU A 99 32.914 26.302 -13.152 1.00 0.00 O ATOM 969 CB GLU A 99 34.836 27.356 -10.706 1.00 0.00 C ATOM 970 CG GLU A 99 35.115 28.569 -9.816 1.00 0.00 C ATOM 971 CD GLU A 99 34.701 29.846 -10.551 1.00 0.00 C ATOM 972 OE1 GLU A 99 34.541 29.785 -11.759 1.00 0.00 O ATOM 973 OE2 GLU A 99 34.550 30.861 -9.892 1.00 0.00 O ATOM 0 H GLU A 99 33.162 27.061 -8.886 1.00 0.00 H new ATOM 0 HA GLU A 99 33.005 28.204 -11.462 1.00 0.00 H new ATOM 0 HB2 GLU A 99 35.170 26.444 -10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 99 35.398 27.438 -11.637 1.00 0.00 H new ATOM 0 HG2 GLU A 99 34.564 28.481 -8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 99 36.174 28.610 -9.561 1.00 0.00 H new ATOM 980 N SER A 100 33.013 24.911 -11.455 1.00 0.00 N ATOM 981 CA SER A 100 32.756 23.741 -12.341 1.00 0.00 C ATOM 982 C SER A 100 32.242 22.569 -11.501 1.00 0.00 C ATOM 983 O SER A 100 32.433 21.419 -11.840 1.00 0.00 O ATOM 984 CB SER A 100 34.053 23.335 -13.041 1.00 0.00 C ATOM 985 OG SER A 100 33.845 22.130 -13.763 1.00 0.00 O ATOM 0 H SER A 100 33.134 24.690 -10.467 1.00 0.00 H new ATOM 0 HA SER A 100 32.009 24.009 -13.088 1.00 0.00 H new ATOM 0 HB2 SER A 100 34.376 24.126 -13.718 1.00 0.00 H new ATOM 0 HB3 SER A 100 34.848 23.199 -12.307 1.00 0.00 H new ATOM 0 HG SER A 100 33.504 21.440 -13.156 1.00 0.00 H new ATOM 991 N VAL A 101 31.590 22.853 -10.407 1.00 0.00 N ATOM 992 CA VAL A 101 31.064 21.756 -9.547 1.00 0.00 C ATOM 993 C VAL A 101 29.678 22.138 -9.024 1.00 0.00 C ATOM 994 O VAL A 101 29.385 23.298 -8.806 1.00 0.00 O ATOM 995 CB VAL A 101 32.011 21.533 -8.366 1.00 0.00 C ATOM 996 CG1 VAL A 101 31.491 20.380 -7.506 1.00 0.00 C ATOM 997 CG2 VAL A 101 33.407 21.188 -8.891 1.00 0.00 C ATOM 0 H VAL A 101 31.399 23.797 -10.072 1.00 0.00 H new ATOM 0 HA VAL A 101 30.992 20.839 -10.132 1.00 0.00 H new ATOM 0 HB VAL A 101 32.062 22.441 -7.764 1.00 0.00 H new ATOM 0 HG11 VAL A 101 32.165 20.221 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 101 30.496 20.624 -7.133 1.00 0.00 H new ATOM 0 HG13 VAL A 101 31.440 19.472 -8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 101 34.083 21.029 -8.051 1.00 0.00 H new ATOM 0 HG22 VAL A 101 33.356 20.280 -9.492 1.00 0.00 H new ATOM 0 HG23 VAL A 101 33.778 22.009 -9.505 1.00 0.00 H new ATOM 1007 N GLN A 102 28.822 21.175 -8.823 1.00 0.00 N ATOM 1008 CA GLN A 102 27.455 21.486 -8.316 1.00 0.00 C ATOM 1009 C GLN A 102 27.424 21.322 -6.794 1.00 0.00 C ATOM 1010 O GLN A 102 28.054 20.443 -6.242 1.00 0.00 O ATOM 1011 CB GLN A 102 26.445 20.528 -8.951 1.00 0.00 C ATOM 1012 CG GLN A 102 26.468 20.698 -10.472 1.00 0.00 C ATOM 1013 CD GLN A 102 25.505 19.696 -11.111 1.00 0.00 C ATOM 1014 OE1 GLN A 102 25.078 18.755 -10.473 1.00 0.00 O ATOM 1015 NE2 GLN A 102 25.141 19.861 -12.354 1.00 0.00 N ATOM 0 H GLN A 102 29.009 20.186 -8.988 1.00 0.00 H new ATOM 0 HA GLN A 102 27.197 22.513 -8.576 1.00 0.00 H new ATOM 0 HB2 GLN A 102 26.687 19.499 -8.686 1.00 0.00 H new ATOM 0 HB3 GLN A 102 25.445 20.730 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 102 26.182 21.715 -10.739 1.00 0.00 H new ATOM 0 HG3 GLN A 102 27.478 20.541 -10.851 1.00 0.00 H new ATOM 0 HE21 GLN A 102 25.500 20.651 -12.890 1.00 0.00 H new ATOM 0 HE22 GLN A 102 24.498 19.200 -12.789 1.00 0.00 H new ATOM 1024 N LEU A 103 26.693 22.162 -6.113 1.00 0.00 N ATOM 1025 CA LEU A 103 26.620 22.054 -4.630 1.00 0.00 C ATOM 1026 C LEU A 103 25.229 21.564 -4.224 1.00 0.00 C ATOM 1027 O LEU A 103 24.227 22.012 -4.745 1.00 0.00 O ATOM 1028 CB LEU A 103 26.879 23.426 -4.003 1.00 0.00 C ATOM 1029 CG LEU A 103 28.344 23.815 -4.212 1.00 0.00 C ATOM 1030 CD1 LEU A 103 28.582 25.218 -3.649 1.00 0.00 C ATOM 1031 CD2 LEU A 103 29.246 22.815 -3.487 1.00 0.00 C ATOM 0 H LEU A 103 26.143 22.918 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 103 27.373 21.348 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 103 26.226 24.173 -4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 103 26.647 23.401 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 103 28.575 23.806 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 103 29.625 25.497 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 103 27.939 25.931 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 103 28.352 25.226 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 103 30.290 23.092 -3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 103 29.017 22.824 -2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 103 29.075 21.815 -3.886 1.00 0.00 H new ATOM 1043 N LYS A 104 25.157 20.647 -3.299 1.00 0.00 N ATOM 1044 CA LYS A 104 23.830 20.131 -2.864 1.00 0.00 C ATOM 1045 C LYS A 104 23.703 20.264 -1.346 1.00 0.00 C ATOM 1046 O LYS A 104 24.564 19.839 -0.601 1.00 0.00 O ATOM 1047 CB LYS A 104 23.698 18.659 -3.258 1.00 0.00 C ATOM 1048 CG LYS A 104 23.661 18.540 -4.783 1.00 0.00 C ATOM 1049 CD LYS A 104 23.399 17.085 -5.174 1.00 0.00 C ATOM 1050 CE LYS A 104 23.491 16.940 -6.694 1.00 0.00 C ATOM 1051 NZ LYS A 104 22.411 16.032 -7.172 1.00 0.00 N ATOM 0 H LYS A 104 25.960 20.233 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 104 23.042 20.708 -3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 104 24.536 18.088 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 104 22.790 18.236 -2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 104 22.881 19.183 -5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 104 24.606 18.877 -5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 104 24.125 16.431 -4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 104 22.413 16.776 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 104 23.397 17.916 -7.170 1.00 0.00 H new ATOM 0 HE3 LYS A 104 24.466 16.542 -6.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 22.473 15.933 -8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 22.520 15.098 -6.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 21.485 16.430 -6.917 1.00 0.00 H new ATOM 1065 N VAL A 105 22.634 20.851 -0.880 1.00 0.00 N ATOM 1066 CA VAL A 105 22.453 21.008 0.590 1.00 0.00 C ATOM 1067 C VAL A 105 21.159 20.314 1.018 1.00 0.00 C ATOM 1068 O VAL A 105 20.182 20.301 0.296 1.00 0.00 O ATOM 1069 CB VAL A 105 22.374 22.495 0.939 1.00 0.00 C ATOM 1070 CG1 VAL A 105 22.394 22.664 2.459 1.00 0.00 C ATOM 1071 CG2 VAL A 105 23.571 23.226 0.328 1.00 0.00 C ATOM 0 H VAL A 105 21.879 21.228 -1.454 1.00 0.00 H new ATOM 0 HA VAL A 105 23.298 20.558 1.111 1.00 0.00 H new ATOM 0 HB VAL A 105 21.450 22.914 0.540 1.00 0.00 H new ATOM 0 HG11 VAL A 105 22.338 23.724 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 105 21.541 22.143 2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 105 23.317 22.246 2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 105 23.515 24.286 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 105 24.495 22.808 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 105 23.556 23.106 -0.755 1.00 0.00 H new