USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 485 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 53 SER OG : rot 180:sc= 0.905 USER MOD Set 1.2: A 56 THR OG1 : rot 85:sc= 1.04 USER MOD Set 2.1: A 37 SER OG : rot 110:sc= 0.802 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.737 X(o=1.5,f=1.2) USER MOD Set 3.1: A 16 SER OG : rot -30:sc= 0.16 USER MOD Set 3.2: A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.073) USER MOD Single : A 5 THR OG1 : rot -130:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0338) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -13:sc= 0.711 USER MOD Single : A 42 ASN : amide:sc= -0.176 K(o=-0.18,f=-2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 64 MET CE :methyl 167:sc= 0 (180deg=-0.251) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N GLN A 3 1.678 -19.454 1.229 1.00 0.00 N ATOM 37 CA GLN A 3 0.253 -19.154 1.266 1.00 0.00 C ATOM 38 C GLN A 3 0.082 -17.665 1.564 1.00 0.00 C ATOM 39 O GLN A 3 0.907 -17.076 2.258 1.00 0.00 O ATOM 40 CB GLN A 3 -0.445 -19.980 2.356 1.00 0.00 C ATOM 41 CG GLN A 3 -0.612 -21.462 1.997 1.00 0.00 C ATOM 42 CD GLN A 3 -1.595 -21.677 0.848 1.00 0.00 C ATOM 43 OE1 GLN A 3 -2.802 -21.735 1.068 1.00 0.00 O ATOM 44 NE2 GLN A 3 -1.089 -21.802 -0.380 1.00 0.00 N ATOM 0 HA GLN A 3 -0.197 -19.406 0.306 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.127 -19.902 3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.427 -19.550 2.552 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.358 -21.878 1.724 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.958 -22.009 2.874 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.081 -21.748 -0.524 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.710 -21.951 -1.175 1.00 0.00 H new ATOM 53 N GLU A 4 -0.996 -17.066 1.043 1.00 0.00 N ATOM 54 CA GLU A 4 -1.342 -15.669 1.264 1.00 0.00 C ATOM 55 C GLU A 4 -2.536 -15.564 2.210 1.00 0.00 C ATOM 56 O GLU A 4 -3.352 -16.480 2.292 1.00 0.00 O ATOM 57 CB GLU A 4 -1.661 -14.983 -0.069 1.00 0.00 C ATOM 58 CG GLU A 4 -0.400 -14.808 -0.919 1.00 0.00 C ATOM 59 CD GLU A 4 -0.710 -14.056 -2.207 1.00 0.00 C ATOM 60 OE1 GLU A 4 -0.632 -12.808 -2.172 1.00 0.00 O ATOM 61 OE2 GLU A 4 -1.024 -14.741 -3.205 1.00 0.00 O ATOM 0 H GLU A 4 -1.662 -17.555 0.445 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.489 -15.167 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.394 -15.574 -0.619 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.113 -14.009 0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.354 -14.265 -0.349 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.021 -15.785 -1.156 1.00 0.00 H new ATOM 68 N THR A 5 -2.633 -14.431 2.917 1.00 0.00 N ATOM 69 CA THR A 5 -3.771 -14.094 3.756 1.00 0.00 C ATOM 70 C THR A 5 -3.934 -12.576 3.793 1.00 0.00 C ATOM 71 O THR A 5 -2.943 -11.846 3.807 1.00 0.00 O ATOM 72 CB THR A 5 -3.609 -14.693 5.164 1.00 0.00 C ATOM 73 OG1 THR A 5 -4.781 -14.499 5.928 1.00 0.00 O ATOM 74 CG2 THR A 5 -2.415 -14.115 5.934 1.00 0.00 C ATOM 0 H THR A 5 -1.906 -13.716 2.916 1.00 0.00 H new ATOM 0 HA THR A 5 -4.679 -14.527 3.336 1.00 0.00 H new ATOM 0 HB THR A 5 -3.425 -15.757 5.013 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.544 -14.116 6.799 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.358 -14.579 6.918 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.496 -14.316 5.384 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.542 -13.038 6.048 1.00 0.00 H new ATOM 82 N VAL A 6 -5.189 -12.117 3.817 1.00 0.00 N ATOM 83 CA VAL A 6 -5.564 -10.726 3.993 1.00 0.00 C ATOM 84 C VAL A 6 -6.171 -10.602 5.387 1.00 0.00 C ATOM 85 O VAL A 6 -7.114 -11.319 5.720 1.00 0.00 O ATOM 86 CB VAL A 6 -6.554 -10.283 2.900 1.00 0.00 C ATOM 87 CG1 VAL A 6 -6.852 -8.783 3.030 1.00 0.00 C ATOM 88 CG2 VAL A 6 -5.986 -10.550 1.501 1.00 0.00 C ATOM 0 H VAL A 6 -5.995 -12.733 3.710 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.696 -10.073 3.901 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.470 -10.859 3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.553 -8.483 2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.288 -8.582 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.926 -8.218 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.706 -10.228 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.056 -9.996 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.792 -11.616 1.384 1.00 0.00 H new ATOM 98 N ILE A 7 -5.618 -9.695 6.197 1.00 0.00 N ATOM 99 CA ILE A 7 -6.068 -9.414 7.551 1.00 0.00 C ATOM 100 C ILE A 7 -6.422 -7.931 7.583 1.00 0.00 C ATOM 101 O ILE A 7 -5.553 -7.104 7.332 1.00 0.00 O ATOM 102 CB ILE A 7 -4.951 -9.768 8.554 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.544 -11.246 8.391 1.00 0.00 C ATOM 104 CG2 ILE A 7 -5.409 -9.478 9.992 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.455 -11.696 9.369 1.00 0.00 C ATOM 0 H ILE A 7 -4.822 -9.123 5.915 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.936 -10.010 7.832 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.080 -9.147 8.347 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.425 -11.873 8.528 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.193 -11.407 7.372 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.609 -9.733 10.687 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.651 -8.420 10.090 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -6.292 -10.075 10.220 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.221 -12.746 9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.559 -11.094 9.218 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.809 -11.568 10.392 1.00 0.00 H new ATOM 117 N ASN A 8 -7.678 -7.583 7.882 1.00 0.00 N ATOM 118 CA ASN A 8 -8.096 -6.194 8.025 1.00 0.00 C ATOM 119 C ASN A 8 -7.546 -5.648 9.340 1.00 0.00 C ATOM 120 O ASN A 8 -7.765 -6.253 10.388 1.00 0.00 O ATOM 121 CB ASN A 8 -9.625 -6.081 7.978 1.00 0.00 C ATOM 122 CG ASN A 8 -10.201 -6.367 6.591 1.00 0.00 C ATOM 123 OD1 ASN A 8 -9.489 -6.350 5.588 1.00 0.00 O ATOM 124 ND2 ASN A 8 -11.507 -6.637 6.528 1.00 0.00 N ATOM 0 H ASN A 8 -8.428 -8.258 8.030 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.701 -5.605 7.197 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.058 -6.777 8.696 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.920 -5.079 8.289 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -11.943 -6.838 5.628 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -12.068 -6.643 7.380 1.00 0.00 H new ATOM 131 N ILE A 9 -6.831 -4.518 9.272 1.00 0.00 N ATOM 132 CA ILE A 9 -6.166 -3.880 10.398 1.00 0.00 C ATOM 133 C ILE A 9 -6.737 -2.472 10.536 1.00 0.00 C ATOM 134 O ILE A 9 -6.472 -1.615 9.694 1.00 0.00 O ATOM 135 CB ILE A 9 -4.638 -3.831 10.192 1.00 0.00 C ATOM 136 CG1 ILE A 9 -4.051 -5.202 9.819 1.00 0.00 C ATOM 137 CG2 ILE A 9 -3.986 -3.313 11.484 1.00 0.00 C ATOM 138 CD1 ILE A 9 -2.564 -5.127 9.456 1.00 0.00 C ATOM 0 H ILE A 9 -6.699 -4.011 8.397 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.343 -4.454 11.307 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.428 -3.162 9.358 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.183 -5.889 10.655 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.607 -5.614 8.977 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.904 -3.272 11.355 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.363 -2.315 11.707 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.228 -3.984 12.308 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.201 -6.123 9.201 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.431 -4.463 8.602 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.001 -4.742 10.306 1.00 0.00 H new ATOM 150 N ASP A 10 -7.504 -2.232 11.604 1.00 0.00 N ATOM 151 CA ASP A 10 -8.030 -0.916 11.934 1.00 0.00 C ATOM 152 C ASP A 10 -7.159 -0.286 13.024 1.00 0.00 C ATOM 153 O ASP A 10 -6.637 -0.984 13.895 1.00 0.00 O ATOM 154 CB ASP A 10 -9.497 -1.047 12.362 1.00 0.00 C ATOM 155 CG ASP A 10 -10.078 0.288 12.824 1.00 0.00 C ATOM 156 OD1 ASP A 10 -10.232 1.173 11.954 1.00 0.00 O ATOM 157 OD2 ASP A 10 -10.347 0.403 14.039 1.00 0.00 O ATOM 0 H ASP A 10 -7.777 -2.958 12.267 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.000 -0.259 11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.085 -1.430 11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -9.576 -1.776 13.169 1.00 0.00 H new ATOM 162 N GLY A 11 -7.003 1.042 12.959 1.00 0.00 N ATOM 163 CA GLY A 11 -6.244 1.834 13.916 1.00 0.00 C ATOM 164 C GLY A 11 -4.815 2.137 13.460 1.00 0.00 C ATOM 165 O GLY A 11 -4.014 2.595 14.275 1.00 0.00 O ATOM 0 H GLY A 11 -7.416 1.605 12.215 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.767 2.774 14.094 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.209 1.304 14.868 1.00 0.00 H new ATOM 169 N MET A 12 -4.487 1.904 12.179 1.00 0.00 N ATOM 170 CA MET A 12 -3.176 2.213 11.618 1.00 0.00 C ATOM 171 C MET A 12 -3.038 3.729 11.463 1.00 0.00 C ATOM 172 O MET A 12 -3.271 4.282 10.389 1.00 0.00 O ATOM 173 CB MET A 12 -2.968 1.486 10.282 1.00 0.00 C ATOM 174 CG MET A 12 -3.039 -0.034 10.451 1.00 0.00 C ATOM 175 SD MET A 12 -2.352 -0.988 9.069 1.00 0.00 S ATOM 176 CE MET A 12 -3.523 -0.561 7.761 1.00 0.00 C ATOM 0 H MET A 12 -5.133 1.493 11.505 1.00 0.00 H new ATOM 0 HA MET A 12 -2.399 1.860 12.296 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.727 1.809 9.569 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.000 1.761 9.864 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.509 -0.309 11.363 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.081 -0.321 10.590 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.240 -1.069 6.839 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.526 -0.873 8.054 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.511 0.517 7.599 1.00 0.00 H new ATOM 225 N SER A 16 3.394 6.038 9.665 1.00 0.00 N ATOM 226 CA SER A 16 4.264 5.546 10.724 1.00 0.00 C ATOM 227 C SER A 16 3.845 4.141 11.168 1.00 0.00 C ATOM 228 O SER A 16 4.672 3.232 11.206 1.00 0.00 O ATOM 229 CB SER A 16 4.229 6.533 11.896 1.00 0.00 C ATOM 230 OG SER A 16 2.895 6.771 12.302 1.00 0.00 O ATOM 0 HA SER A 16 5.285 5.472 10.350 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.804 6.135 12.732 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.699 7.472 11.603 1.00 0.00 H new ATOM 0 HG SER A 16 2.297 6.682 11.530 1.00 0.00 H new ATOM 236 N CYS A 17 2.558 3.967 11.491 1.00 0.00 N ATOM 237 CA CYS A 17 1.997 2.692 11.917 1.00 0.00 C ATOM 238 C CYS A 17 2.089 1.663 10.794 1.00 0.00 C ATOM 239 O CYS A 17 2.509 0.535 11.036 1.00 0.00 O ATOM 240 CB CYS A 17 0.544 2.869 12.365 1.00 0.00 C ATOM 241 SG CYS A 17 0.493 3.833 13.897 1.00 0.00 S ATOM 0 H CYS A 17 1.873 4.722 11.461 1.00 0.00 H new ATOM 0 HA CYS A 17 2.577 2.327 12.765 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.028 3.374 11.587 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.080 1.895 12.521 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.742 3.983 14.274 1.00 0.00 H new ATOM 247 N VAL A 18 1.705 2.052 9.573 1.00 0.00 N ATOM 248 CA VAL A 18 1.739 1.199 8.390 1.00 0.00 C ATOM 249 C VAL A 18 3.139 0.603 8.212 1.00 0.00 C ATOM 250 O VAL A 18 3.292 -0.613 8.111 1.00 0.00 O ATOM 251 CB VAL A 18 1.317 2.015 7.155 1.00 0.00 C ATOM 252 CG1 VAL A 18 1.365 1.179 5.871 1.00 0.00 C ATOM 253 CG2 VAL A 18 -0.098 2.584 7.317 1.00 0.00 C ATOM 0 H VAL A 18 1.355 2.990 9.381 1.00 0.00 H new ATOM 0 HA VAL A 18 1.038 0.373 8.512 1.00 0.00 H new ATOM 0 HB VAL A 18 2.033 2.833 7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.060 1.794 5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.381 0.818 5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.689 0.329 5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.365 3.155 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.806 1.766 7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.130 3.236 8.190 1.00 0.00 H new ATOM 263 N GLN A 19 4.154 1.476 8.186 1.00 0.00 N ATOM 264 CA GLN A 19 5.554 1.118 8.027 1.00 0.00 C ATOM 265 C GLN A 19 6.020 0.216 9.171 1.00 0.00 C ATOM 266 O GLN A 19 6.678 -0.790 8.919 1.00 0.00 O ATOM 267 CB GLN A 19 6.386 2.404 7.943 1.00 0.00 C ATOM 268 CG GLN A 19 7.865 2.117 7.662 1.00 0.00 C ATOM 269 CD GLN A 19 8.664 3.410 7.528 1.00 0.00 C ATOM 270 OE1 GLN A 19 9.442 3.757 8.413 1.00 0.00 O ATOM 271 NE2 GLN A 19 8.475 4.129 6.421 1.00 0.00 N ATOM 0 H GLN A 19 4.010 2.482 8.279 1.00 0.00 H new ATOM 0 HA GLN A 19 5.687 0.550 7.106 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.986 3.043 7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.296 2.955 8.879 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.280 1.512 8.468 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.957 1.533 6.746 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.820 3.806 5.709 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.986 5.002 6.286 1.00 0.00 H new ATOM 280 N SER A 20 5.683 0.575 10.417 1.00 0.00 N ATOM 281 CA SER A 20 6.059 -0.183 11.602 1.00 0.00 C ATOM 282 C SER A 20 5.547 -1.623 11.510 1.00 0.00 C ATOM 283 O SER A 20 6.329 -2.561 11.645 1.00 0.00 O ATOM 284 CB SER A 20 5.535 0.526 12.858 1.00 0.00 C ATOM 285 OG SER A 20 5.975 -0.137 14.023 1.00 0.00 O ATOM 0 H SER A 20 5.136 1.410 10.625 1.00 0.00 H new ATOM 0 HA SER A 20 7.146 -0.232 11.666 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.880 1.560 12.869 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.446 0.554 12.839 1.00 0.00 H new ATOM 0 HG SER A 20 5.633 0.330 14.814 1.00 0.00 H new ATOM 291 N ILE A 21 4.240 -1.790 11.269 1.00 0.00 N ATOM 292 CA ILE A 21 3.597 -3.089 11.117 1.00 0.00 C ATOM 293 C ILE A 21 4.294 -3.874 10.008 1.00 0.00 C ATOM 294 O ILE A 21 4.747 -4.990 10.244 1.00 0.00 O ATOM 295 CB ILE A 21 2.093 -2.910 10.830 1.00 0.00 C ATOM 296 CG1 ILE A 21 1.381 -2.276 12.039 1.00 0.00 C ATOM 297 CG2 ILE A 21 1.433 -4.260 10.504 1.00 0.00 C ATOM 298 CD1 ILE A 21 0.052 -1.636 11.628 1.00 0.00 C ATOM 0 H ILE A 21 3.593 -1.007 11.174 1.00 0.00 H new ATOM 0 HA ILE A 21 3.686 -3.655 12.044 1.00 0.00 H new ATOM 0 HB ILE A 21 1.998 -2.249 9.968 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.201 -3.037 12.798 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.026 -1.522 12.490 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.372 -4.108 10.305 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.908 -4.694 9.625 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.550 -4.936 11.351 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.427 -1.197 12.503 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.237 -0.858 10.887 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.601 -2.397 11.200 1.00 0.00 H new ATOM 310 N GLU A 22 4.383 -3.287 8.808 1.00 0.00 N ATOM 311 CA GLU A 22 4.963 -3.930 7.639 1.00 0.00 C ATOM 312 C GLU A 22 6.365 -4.463 7.947 1.00 0.00 C ATOM 313 O GLU A 22 6.634 -5.642 7.730 1.00 0.00 O ATOM 314 CB GLU A 22 4.952 -2.946 6.462 1.00 0.00 C ATOM 315 CG GLU A 22 5.286 -3.637 5.137 1.00 0.00 C ATOM 316 CD GLU A 22 5.054 -2.699 3.958 1.00 0.00 C ATOM 317 OE1 GLU A 22 3.894 -2.643 3.494 1.00 0.00 O ATOM 318 OE2 GLU A 22 6.039 -2.048 3.544 1.00 0.00 O ATOM 0 H GLU A 22 4.048 -2.341 8.627 1.00 0.00 H new ATOM 0 HA GLU A 22 4.363 -4.796 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.971 -2.477 6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.673 -2.150 6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.325 -3.965 5.146 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.671 -4.529 5.023 1.00 0.00 H new ATOM 325 N GLY A 23 7.244 -3.600 8.469 1.00 0.00 N ATOM 326 CA GLY A 23 8.623 -3.928 8.794 1.00 0.00 C ATOM 327 C GLY A 23 8.731 -5.048 9.829 1.00 0.00 C ATOM 328 O GLY A 23 9.427 -6.034 9.592 1.00 0.00 O ATOM 0 H GLY A 23 7.003 -2.632 8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.146 -4.226 7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.125 -3.038 9.173 1.00 0.00 H new ATOM 332 N VAL A 24 8.058 -4.899 10.975 1.00 0.00 N ATOM 333 CA VAL A 24 8.126 -5.866 12.064 1.00 0.00 C ATOM 334 C VAL A 24 7.597 -7.226 11.606 1.00 0.00 C ATOM 335 O VAL A 24 8.293 -8.230 11.749 1.00 0.00 O ATOM 336 CB VAL A 24 7.373 -5.328 13.296 1.00 0.00 C ATOM 337 CG1 VAL A 24 7.229 -6.398 14.386 1.00 0.00 C ATOM 338 CG2 VAL A 24 8.125 -4.131 13.894 1.00 0.00 C ATOM 0 H VAL A 24 7.452 -4.102 11.169 1.00 0.00 H new ATOM 0 HA VAL A 24 9.166 -6.011 12.355 1.00 0.00 H new ATOM 0 HB VAL A 24 6.381 -5.029 12.959 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.693 -5.980 15.238 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.674 -7.248 13.990 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.218 -6.727 14.706 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.584 -3.759 14.764 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.125 -4.443 14.195 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.201 -3.340 13.148 1.00 0.00 H new ATOM 348 N ILE A 25 6.377 -7.260 11.056 1.00 0.00 N ATOM 349 CA ILE A 25 5.735 -8.496 10.629 1.00 0.00 C ATOM 350 C ILE A 25 6.542 -9.180 9.517 1.00 0.00 C ATOM 351 O ILE A 25 6.631 -10.406 9.518 1.00 0.00 O ATOM 352 CB ILE A 25 4.260 -8.249 10.260 1.00 0.00 C ATOM 353 CG1 ILE A 25 3.440 -7.666 11.432 1.00 0.00 C ATOM 354 CG2 ILE A 25 3.595 -9.536 9.750 1.00 0.00 C ATOM 355 CD1 ILE A 25 3.287 -8.585 12.649 1.00 0.00 C ATOM 0 H ILE A 25 5.811 -6.426 10.897 1.00 0.00 H new ATOM 0 HA ILE A 25 5.724 -9.197 11.464 1.00 0.00 H new ATOM 0 HB ILE A 25 4.268 -7.506 9.463 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.911 -6.738 11.756 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.446 -7.409 11.065 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.555 -9.332 9.497 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.121 -9.891 8.864 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.637 -10.300 10.527 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.696 -8.081 13.413 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.785 -9.505 12.349 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.272 -8.824 13.051 1.00 0.00 H new ATOM 367 N SER A 26 7.155 -8.416 8.598 1.00 0.00 N ATOM 368 CA SER A 26 8.046 -8.960 7.572 1.00 0.00 C ATOM 369 C SER A 26 9.128 -9.864 8.174 1.00 0.00 C ATOM 370 O SER A 26 9.486 -10.876 7.574 1.00 0.00 O ATOM 371 CB SER A 26 8.692 -7.832 6.758 1.00 0.00 C ATOM 372 OG SER A 26 9.434 -8.369 5.684 1.00 0.00 O ATOM 0 H SER A 26 7.044 -7.403 8.549 1.00 0.00 H new ATOM 0 HA SER A 26 7.434 -9.571 6.908 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.922 -7.161 6.378 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.344 -7.238 7.399 1.00 0.00 H new ATOM 0 HG SER A 26 9.841 -7.640 5.170 1.00 0.00 H new ATOM 378 N LYS A 27 9.641 -9.502 9.358 1.00 0.00 N ATOM 379 CA LYS A 27 10.746 -10.195 10.006 1.00 0.00 C ATOM 380 C LYS A 27 10.270 -11.339 10.912 1.00 0.00 C ATOM 381 O LYS A 27 11.111 -12.054 11.458 1.00 0.00 O ATOM 382 CB LYS A 27 11.584 -9.184 10.803 1.00 0.00 C ATOM 383 CG LYS A 27 12.254 -8.154 9.883 1.00 0.00 C ATOM 384 CD LYS A 27 12.980 -7.050 10.667 1.00 0.00 C ATOM 385 CE LYS A 27 14.100 -7.561 11.584 1.00 0.00 C ATOM 386 NZ LYS A 27 15.116 -8.328 10.844 1.00 0.00 N ATOM 0 H LYS A 27 9.290 -8.708 9.894 1.00 0.00 H new ATOM 0 HA LYS A 27 11.359 -10.650 9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.947 -8.670 11.522 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.347 -9.713 11.374 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.966 -8.662 9.232 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.500 -7.702 9.239 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.402 -6.336 9.960 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.251 -6.509 11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.576 -6.715 12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.670 -8.189 12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.878 -8.610 11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.679 -9.178 10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.509 -7.739 10.083 1.00 0.00 H new ATOM 400 N LYS A 28 8.954 -11.541 11.080 1.00 0.00 N ATOM 401 CA LYS A 28 8.442 -12.661 11.863 1.00 0.00 C ATOM 402 C LYS A 28 8.663 -13.966 11.087 1.00 0.00 C ATOM 403 O LYS A 28 8.518 -13.964 9.864 1.00 0.00 O ATOM 404 CB LYS A 28 6.951 -12.475 12.176 1.00 0.00 C ATOM 405 CG LYS A 28 6.668 -11.263 13.074 1.00 0.00 C ATOM 406 CD LYS A 28 7.048 -11.498 14.541 1.00 0.00 C ATOM 407 CE LYS A 28 6.740 -10.242 15.361 1.00 0.00 C ATOM 408 NZ LYS A 28 7.058 -10.436 16.784 1.00 0.00 N ATOM 0 H LYS A 28 8.231 -10.941 10.682 1.00 0.00 H new ATOM 0 HA LYS A 28 8.980 -12.704 12.810 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.402 -12.363 11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.573 -13.375 12.662 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.219 -10.402 12.696 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.608 -11.014 13.015 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.494 -12.348 14.938 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.107 -11.743 14.618 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.313 -9.401 14.970 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.686 -9.986 15.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.838 -9.567 17.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.492 -11.223 17.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.069 -10.656 16.887 1.00 0.00 H new ATOM 422 N PRO A 29 9.004 -15.080 11.766 1.00 0.00 N ATOM 423 CA PRO A 29 9.184 -16.386 11.147 1.00 0.00 C ATOM 424 C PRO A 29 8.053 -16.746 10.184 1.00 0.00 C ATOM 425 O PRO A 29 6.880 -16.559 10.503 1.00 0.00 O ATOM 426 CB PRO A 29 9.256 -17.386 12.304 1.00 0.00 C ATOM 427 CG PRO A 29 9.866 -16.555 13.427 1.00 0.00 C ATOM 428 CD PRO A 29 9.265 -15.168 13.196 1.00 0.00 C ATOM 0 HA PRO A 29 10.088 -16.395 10.538 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.271 -17.767 12.572 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.875 -18.248 12.056 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.604 -16.950 14.409 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.954 -16.538 13.370 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.347 -15.040 13.769 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.953 -14.386 13.516 1.00 0.00 H new ATOM 436 N GLY A 30 8.414 -17.255 9.000 1.00 0.00 N ATOM 437 CA GLY A 30 7.461 -17.682 7.991 1.00 0.00 C ATOM 438 C GLY A 30 7.137 -16.582 6.987 1.00 0.00 C ATOM 439 O GLY A 30 7.014 -16.880 5.802 1.00 0.00 O ATOM 0 H GLY A 30 9.387 -17.380 8.721 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.862 -18.546 7.461 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.542 -18.006 8.479 1.00 0.00 H new ATOM 443 N VAL A 31 6.987 -15.331 7.445 1.00 0.00 N ATOM 444 CA VAL A 31 6.615 -14.217 6.581 1.00 0.00 C ATOM 445 C VAL A 31 7.740 -13.939 5.586 1.00 0.00 C ATOM 446 O VAL A 31 8.909 -13.918 5.969 1.00 0.00 O ATOM 447 CB VAL A 31 6.272 -12.962 7.401 1.00 0.00 C ATOM 448 CG1 VAL A 31 5.807 -11.835 6.468 1.00 0.00 C ATOM 449 CG2 VAL A 31 5.150 -13.264 8.399 1.00 0.00 C ATOM 0 H VAL A 31 7.121 -15.070 8.422 1.00 0.00 H new ATOM 0 HA VAL A 31 5.717 -14.490 6.027 1.00 0.00 H new ATOM 0 HB VAL A 31 7.168 -12.654 7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.566 -10.950 7.058 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.602 -11.595 5.762 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.922 -12.158 5.920 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.920 -12.365 8.971 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.260 -13.588 7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.470 -14.054 9.078 1.00 0.00 H new ATOM 459 N LYS A 32 7.374 -13.732 4.316 1.00 0.00 N ATOM 460 CA LYS A 32 8.304 -13.437 3.237 1.00 0.00 C ATOM 461 C LYS A 32 8.026 -12.013 2.746 1.00 0.00 C ATOM 462 O LYS A 32 8.631 -11.073 3.258 1.00 0.00 O ATOM 463 CB LYS A 32 8.231 -14.526 2.150 1.00 0.00 C ATOM 464 CG LYS A 32 8.278 -15.925 2.781 1.00 0.00 C ATOM 465 CD LYS A 32 8.514 -17.029 1.745 1.00 0.00 C ATOM 466 CE LYS A 32 8.254 -18.394 2.392 1.00 0.00 C ATOM 467 NZ LYS A 32 8.540 -19.501 1.464 1.00 0.00 N ATOM 0 H LYS A 32 6.401 -13.767 4.011 1.00 0.00 H new ATOM 0 HA LYS A 32 9.340 -13.461 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.312 -14.412 1.574 1.00 0.00 H new ATOM 0 HB3 LYS A 32 9.061 -14.408 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.071 -15.957 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.341 -16.116 3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.854 -16.888 0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.537 -16.980 1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.873 -18.498 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.215 -18.451 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.352 -20.408 1.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.932 -19.416 0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.538 -19.462 1.174 1.00 0.00 H new ATOM 481 N SER A 33 7.112 -11.839 1.781 1.00 0.00 N ATOM 482 CA SER A 33 6.637 -10.533 1.348 1.00 0.00 C ATOM 483 C SER A 33 5.406 -10.129 2.162 1.00 0.00 C ATOM 484 O SER A 33 4.636 -10.982 2.602 1.00 0.00 O ATOM 485 CB SER A 33 6.351 -10.551 -0.158 1.00 0.00 C ATOM 486 OG SER A 33 5.411 -11.553 -0.483 1.00 0.00 O ATOM 0 H SER A 33 6.682 -12.615 1.278 1.00 0.00 H new ATOM 0 HA SER A 33 7.409 -9.784 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.973 -9.578 -0.472 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.277 -10.725 -0.706 1.00 0.00 H new ATOM 0 HG SER A 33 5.244 -11.544 -1.449 1.00 0.00 H new ATOM 492 N ILE A 34 5.224 -8.818 2.359 1.00 0.00 N ATOM 493 CA ILE A 34 4.056 -8.247 3.013 1.00 0.00 C ATOM 494 C ILE A 34 3.803 -6.849 2.450 1.00 0.00 C ATOM 495 O ILE A 34 4.746 -6.086 2.246 1.00 0.00 O ATOM 496 CB ILE A 34 4.213 -8.262 4.547 1.00 0.00 C ATOM 497 CG1 ILE A 34 3.025 -7.530 5.196 1.00 0.00 C ATOM 498 CG2 ILE A 34 5.554 -7.672 5.006 1.00 0.00 C ATOM 499 CD1 ILE A 34 2.971 -7.692 6.716 1.00 0.00 C ATOM 0 H ILE A 34 5.901 -8.117 2.060 1.00 0.00 H new ATOM 0 HA ILE A 34 3.177 -8.857 2.803 1.00 0.00 H new ATOM 0 HB ILE A 34 4.213 -9.302 4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.084 -6.469 4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.097 -7.905 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.613 -7.706 6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.372 -8.252 4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.630 -6.638 4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.110 -7.151 7.109 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.881 -8.749 6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.884 -7.291 7.157 1.00 0.00 H new ATOM 511 N ARG A 35 2.526 -6.528 2.203 1.00 0.00 N ATOM 512 CA ARG A 35 2.077 -5.240 1.694 1.00 0.00 C ATOM 513 C ARG A 35 0.924 -4.752 2.573 1.00 0.00 C ATOM 514 O ARG A 35 -0.170 -5.315 2.518 1.00 0.00 O ATOM 515 CB ARG A 35 1.636 -5.380 0.228 1.00 0.00 C ATOM 516 CG ARG A 35 2.752 -5.839 -0.722 1.00 0.00 C ATOM 517 CD ARG A 35 3.864 -4.794 -0.883 1.00 0.00 C ATOM 518 NE ARG A 35 4.904 -5.257 -1.810 1.00 0.00 N ATOM 519 CZ ARG A 35 4.825 -5.227 -3.151 1.00 0.00 C ATOM 520 NH1 ARG A 35 3.732 -4.759 -3.771 1.00 0.00 N ATOM 521 NH2 ARG A 35 5.856 -5.674 -3.881 1.00 0.00 N ATOM 0 H ARG A 35 1.759 -7.182 2.359 1.00 0.00 H new ATOM 0 HA ARG A 35 2.888 -4.513 1.727 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.812 -6.092 0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.251 -4.420 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.183 -6.767 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.323 -6.060 -1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.438 -3.860 -1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.309 -4.582 0.089 1.00 0.00 H new ATOM 0 HE ARG A 35 5.759 -5.634 -1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.942 -4.418 -3.224 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.691 -4.744 -4.790 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.691 -6.033 -3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.806 -5.655 -4.900 1.00 0.00 H new ATOM 535 N VAL A 36 1.172 -3.712 3.380 1.00 0.00 N ATOM 536 CA VAL A 36 0.178 -3.105 4.256 1.00 0.00 C ATOM 537 C VAL A 36 -0.389 -1.862 3.569 1.00 0.00 C ATOM 538 O VAL A 36 0.338 -0.894 3.348 1.00 0.00 O ATOM 539 CB VAL A 36 0.791 -2.782 5.631 1.00 0.00 C ATOM 540 CG1 VAL A 36 -0.291 -2.281 6.597 1.00 0.00 C ATOM 541 CG2 VAL A 36 1.443 -4.021 6.257 1.00 0.00 C ATOM 0 H VAL A 36 2.087 -3.266 3.439 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.639 -3.803 4.437 1.00 0.00 H new ATOM 0 HB VAL A 36 1.546 -2.012 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.160 -2.057 7.564 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.750 -1.378 6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.053 -3.051 6.721 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.866 -3.759 7.227 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.692 -4.801 6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.235 -4.386 5.602 1.00 0.00 H new ATOM 551 N SER A 37 -1.684 -1.898 3.231 1.00 0.00 N ATOM 552 CA SER A 37 -2.395 -0.806 2.580 1.00 0.00 C ATOM 553 C SER A 37 -3.210 -0.040 3.618 1.00 0.00 C ATOM 554 O SER A 37 -4.053 -0.625 4.297 1.00 0.00 O ATOM 555 CB SER A 37 -3.312 -1.363 1.487 1.00 0.00 C ATOM 556 OG SER A 37 -4.066 -0.322 0.899 1.00 0.00 O ATOM 0 H SER A 37 -2.275 -2.710 3.410 1.00 0.00 H new ATOM 0 HA SER A 37 -1.678 -0.126 2.120 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.716 -1.865 0.724 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.982 -2.111 1.911 1.00 0.00 H new ATOM 0 HG SER A 37 -3.752 -0.167 -0.016 1.00 0.00 H new ATOM 562 N LEU A 38 -2.970 1.272 3.716 1.00 0.00 N ATOM 563 CA LEU A 38 -3.749 2.175 4.550 1.00 0.00 C ATOM 564 C LEU A 38 -5.133 2.392 3.936 1.00 0.00 C ATOM 565 O LEU A 38 -6.134 2.359 4.651 1.00 0.00 O ATOM 566 CB LEU A 38 -2.990 3.502 4.697 1.00 0.00 C ATOM 567 CG LEU A 38 -3.662 4.517 5.638 1.00 0.00 C ATOM 568 CD1 LEU A 38 -3.860 3.967 7.057 1.00 0.00 C ATOM 569 CD2 LEU A 38 -2.792 5.777 5.712 1.00 0.00 C ATOM 0 H LEU A 38 -2.217 1.737 3.208 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.889 1.741 5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.985 3.293 5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.881 3.955 3.712 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.649 4.738 5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.338 4.725 7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.491 3.079 7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.892 3.706 7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.259 6.503 6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.806 5.516 6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.691 6.209 4.716 1.00 0.00 H new ATOM 581 N ALA A 39 -5.176 2.604 2.613 1.00 0.00 N ATOM 582 CA ALA A 39 -6.392 2.842 1.846 1.00 0.00 C ATOM 583 C ALA A 39 -7.419 1.727 2.052 1.00 0.00 C ATOM 584 O ALA A 39 -8.590 2.010 2.296 1.00 0.00 O ATOM 585 CB ALA A 39 -6.037 2.985 0.363 1.00 0.00 C ATOM 0 H ALA A 39 -4.335 2.613 2.036 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.849 3.766 2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.945 3.163 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.354 3.824 0.232 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.559 2.070 0.013 1.00 0.00 H new ATOM 591 N ASN A 40 -6.975 0.466 1.967 1.00 0.00 N ATOM 592 CA ASN A 40 -7.826 -0.699 2.196 1.00 0.00 C ATOM 593 C ASN A 40 -7.828 -1.107 3.674 1.00 0.00 C ATOM 594 O ASN A 40 -8.600 -1.985 4.056 1.00 0.00 O ATOM 595 CB ASN A 40 -7.357 -1.864 1.315 1.00 0.00 C ATOM 596 CG ASN A 40 -7.469 -1.542 -0.173 1.00 0.00 C ATOM 597 OD1 ASN A 40 -8.499 -1.799 -0.790 1.00 0.00 O ATOM 598 ND2 ASN A 40 -6.407 -0.985 -0.759 1.00 0.00 N ATOM 0 H ASN A 40 -6.010 0.229 1.736 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.849 -0.436 1.927 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.322 -2.106 1.556 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.952 -2.749 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.434 -0.758 -1.753 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.569 -0.786 -0.213 1.00 0.00 H new ATOM 605 N SER A 41 -6.979 -0.476 4.500 1.00 0.00 N ATOM 606 CA SER A 41 -6.862 -0.700 5.933 1.00 0.00 C ATOM 607 C SER A 41 -6.653 -2.183 6.241 1.00 0.00 C ATOM 608 O SER A 41 -7.413 -2.776 7.005 1.00 0.00 O ATOM 609 CB SER A 41 -8.069 -0.103 6.669 1.00 0.00 C ATOM 610 OG SER A 41 -8.258 1.243 6.282 1.00 0.00 O ATOM 0 H SER A 41 -6.330 0.235 4.163 1.00 0.00 H new ATOM 0 HA SER A 41 -5.976 -0.182 6.301 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.964 -0.683 6.445 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.913 -0.161 7.746 1.00 0.00 H new ATOM 0 HG SER A 41 -7.469 1.557 5.793 1.00 0.00 H new ATOM 616 N ASN A 42 -5.625 -2.780 5.628 1.00 0.00 N ATOM 617 CA ASN A 42 -5.360 -4.205 5.744 1.00 0.00 C ATOM 618 C ASN A 42 -3.891 -4.531 5.489 1.00 0.00 C ATOM 619 O ASN A 42 -3.149 -3.720 4.938 1.00 0.00 O ATOM 620 CB ASN A 42 -6.310 -5.005 4.831 1.00 0.00 C ATOM 621 CG ASN A 42 -6.128 -4.765 3.332 1.00 0.00 C ATOM 622 OD1 ASN A 42 -5.186 -4.113 2.893 1.00 0.00 O ATOM 623 ND2 ASN A 42 -7.049 -5.304 2.533 1.00 0.00 N ATOM 0 H ASN A 42 -4.957 -2.282 5.039 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.561 -4.508 6.772 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.172 -6.067 5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.338 -4.761 5.100 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.983 -5.180 1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.819 -5.840 2.932 1.00 0.00 H new ATOM 630 N GLY A 43 -3.498 -5.739 5.905 1.00 0.00 N ATOM 631 CA GLY A 43 -2.194 -6.334 5.705 1.00 0.00 C ATOM 632 C GLY A 43 -2.360 -7.572 4.834 1.00 0.00 C ATOM 633 O GLY A 43 -3.008 -8.532 5.252 1.00 0.00 O ATOM 0 H GLY A 43 -4.127 -6.356 6.420 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.521 -5.622 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.748 -6.601 6.663 1.00 0.00 H new ATOM 637 N THR A 44 -1.767 -7.544 3.637 1.00 0.00 N ATOM 638 CA THR A 44 -1.744 -8.662 2.707 1.00 0.00 C ATOM 639 C THR A 44 -0.385 -9.334 2.878 1.00 0.00 C ATOM 640 O THR A 44 0.623 -8.827 2.388 1.00 0.00 O ATOM 641 CB THR A 44 -1.973 -8.149 1.278 1.00 0.00 C ATOM 642 OG1 THR A 44 -3.231 -7.505 1.220 1.00 0.00 O ATOM 643 CG2 THR A 44 -1.956 -9.296 0.262 1.00 0.00 C ATOM 0 H THR A 44 -1.279 -6.720 3.285 1.00 0.00 H new ATOM 0 HA THR A 44 -2.536 -9.385 2.903 1.00 0.00 H new ATOM 0 HB THR A 44 -1.169 -7.457 1.028 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.386 -7.172 0.312 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.121 -8.898 -0.739 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.990 -9.799 0.298 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.745 -10.008 0.504 1.00 0.00 H new ATOM 651 N VAL A 45 -0.370 -10.456 3.607 1.00 0.00 N ATOM 652 CA VAL A 45 0.839 -11.129 4.060 1.00 0.00 C ATOM 653 C VAL A 45 1.025 -12.427 3.276 1.00 0.00 C ATOM 654 O VAL A 45 0.083 -13.209 3.167 1.00 0.00 O ATOM 655 CB VAL A 45 0.737 -11.430 5.569 1.00 0.00 C ATOM 656 CG1 VAL A 45 2.118 -11.819 6.112 1.00 0.00 C ATOM 657 CG2 VAL A 45 0.194 -10.240 6.373 1.00 0.00 C ATOM 0 H VAL A 45 -1.224 -10.928 3.903 1.00 0.00 H new ATOM 0 HA VAL A 45 1.699 -10.482 3.889 1.00 0.00 H new ATOM 0 HB VAL A 45 0.033 -12.254 5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.043 -12.031 7.179 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.478 -12.706 5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.816 -10.997 5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.143 -10.507 7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.856 -9.383 6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.803 -9.984 6.015 1.00 0.00 H new ATOM 667 N GLU A 46 2.239 -12.655 2.757 1.00 0.00 N ATOM 668 CA GLU A 46 2.664 -13.921 2.174 1.00 0.00 C ATOM 669 C GLU A 46 3.536 -14.606 3.226 1.00 0.00 C ATOM 670 O GLU A 46 4.494 -14.003 3.711 1.00 0.00 O ATOM 671 CB GLU A 46 3.437 -13.656 0.874 1.00 0.00 C ATOM 672 CG GLU A 46 3.503 -14.875 -0.057 1.00 0.00 C ATOM 673 CD GLU A 46 4.174 -16.086 0.585 1.00 0.00 C ATOM 674 OE1 GLU A 46 5.393 -15.996 0.838 1.00 0.00 O ATOM 675 OE2 GLU A 46 3.455 -17.080 0.813 1.00 0.00 O ATOM 0 H GLU A 46 2.967 -11.941 2.734 1.00 0.00 H new ATOM 0 HA GLU A 46 1.821 -14.561 1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.967 -12.828 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.451 -13.342 1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.492 -15.147 -0.361 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.047 -14.604 -0.962 1.00 0.00 H new ATOM 682 N TYR A 47 3.198 -15.848 3.593 1.00 0.00 N ATOM 683 CA TYR A 47 3.821 -16.558 4.700 1.00 0.00 C ATOM 684 C TYR A 47 3.900 -18.058 4.426 1.00 0.00 C ATOM 685 O TYR A 47 3.218 -18.568 3.539 1.00 0.00 O ATOM 686 CB TYR A 47 3.029 -16.286 5.985 1.00 0.00 C ATOM 687 CG TYR A 47 1.649 -16.919 5.997 1.00 0.00 C ATOM 688 CD1 TYR A 47 0.603 -16.332 5.260 1.00 0.00 C ATOM 689 CD2 TYR A 47 1.454 -18.182 6.590 1.00 0.00 C ATOM 690 CE1 TYR A 47 -0.605 -17.023 5.078 1.00 0.00 C ATOM 691 CE2 TYR A 47 0.233 -18.858 6.429 1.00 0.00 C ATOM 692 CZ TYR A 47 -0.790 -18.288 5.656 1.00 0.00 C ATOM 693 OH TYR A 47 -1.959 -18.965 5.463 1.00 0.00 O ATOM 0 H TYR A 47 2.474 -16.389 3.119 1.00 0.00 H new ATOM 0 HA TYR A 47 4.842 -16.195 4.817 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.597 -16.659 6.837 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.926 -15.209 6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.730 -15.348 4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 47 2.246 -18.632 7.170 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.395 -16.579 4.491 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.082 -19.818 6.901 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.920 -19.825 5.932 1.00 0.00 H new ATOM 703 N ASP A 48 4.724 -18.758 5.218 1.00 0.00 N ATOM 704 CA ASP A 48 4.856 -20.208 5.194 1.00 0.00 C ATOM 705 C ASP A 48 3.988 -20.816 6.311 1.00 0.00 C ATOM 706 O ASP A 48 4.278 -20.575 7.483 1.00 0.00 O ATOM 707 CB ASP A 48 6.336 -20.584 5.360 1.00 0.00 C ATOM 708 CG ASP A 48 6.606 -22.057 5.051 1.00 0.00 C ATOM 709 OD1 ASP A 48 5.824 -22.904 5.534 1.00 0.00 O ATOM 710 OD2 ASP A 48 7.597 -22.314 4.335 1.00 0.00 O ATOM 0 H ASP A 48 5.329 -18.313 5.908 1.00 0.00 H new ATOM 0 HA ASP A 48 4.509 -20.607 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.941 -19.961 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.650 -20.367 6.381 1.00 0.00 H new ATOM 715 N PRO A 49 2.949 -21.606 5.975 1.00 0.00 N ATOM 716 CA PRO A 49 2.097 -22.326 6.919 1.00 0.00 C ATOM 717 C PRO A 49 2.841 -23.075 8.027 1.00 0.00 C ATOM 718 O PRO A 49 2.377 -23.112 9.164 1.00 0.00 O ATOM 719 CB PRO A 49 1.276 -23.302 6.076 1.00 0.00 C ATOM 720 CG PRO A 49 1.134 -22.551 4.759 1.00 0.00 C ATOM 721 CD PRO A 49 2.488 -21.859 4.618 1.00 0.00 C ATOM 0 HA PRO A 49 1.489 -21.601 7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.786 -24.257 5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.308 -23.516 6.529 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.936 -23.227 3.927 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.314 -21.834 4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.194 -22.489 4.076 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.395 -20.929 4.057 1.00 0.00 H new ATOM 729 N LEU A 50 3.985 -23.684 7.692 1.00 0.00 N ATOM 730 CA LEU A 50 4.761 -24.499 8.616 1.00 0.00 C ATOM 731 C LEU A 50 5.336 -23.665 9.768 1.00 0.00 C ATOM 732 O LEU A 50 5.555 -24.201 10.853 1.00 0.00 O ATOM 733 CB LEU A 50 5.885 -25.223 7.860 1.00 0.00 C ATOM 734 CG LEU A 50 5.406 -26.067 6.664 1.00 0.00 C ATOM 735 CD1 LEU A 50 6.625 -26.650 5.942 1.00 0.00 C ATOM 736 CD2 LEU A 50 4.476 -27.206 7.100 1.00 0.00 C ATOM 0 H LEU A 50 4.396 -23.620 6.761 1.00 0.00 H new ATOM 0 HA LEU A 50 4.091 -25.238 9.055 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.602 -24.483 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.416 -25.871 8.557 1.00 0.00 H new ATOM 0 HG LEU A 50 4.840 -25.416 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.293 -27.249 5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.260 -25.838 5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.190 -27.278 6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.163 -27.775 6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.005 -27.864 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.599 -26.790 7.596 1.00 0.00 H new ATOM 748 N LEU A 51 5.587 -22.370 9.534 1.00 0.00 N ATOM 749 CA LEU A 51 6.215 -21.470 10.494 1.00 0.00 C ATOM 750 C LEU A 51 5.164 -20.615 11.208 1.00 0.00 C ATOM 751 O LEU A 51 5.252 -20.442 12.422 1.00 0.00 O ATOM 752 CB LEU A 51 7.227 -20.568 9.773 1.00 0.00 C ATOM 753 CG LEU A 51 8.596 -21.193 9.446 1.00 0.00 C ATOM 754 CD1 LEU A 51 9.408 -21.510 10.708 1.00 0.00 C ATOM 755 CD2 LEU A 51 8.497 -22.440 8.562 1.00 0.00 C ATOM 0 H LEU A 51 5.352 -21.915 8.652 1.00 0.00 H new ATOM 0 HA LEU A 51 6.733 -22.068 11.243 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.776 -20.227 8.841 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.394 -19.684 10.388 1.00 0.00 H new ATOM 0 HG LEU A 51 9.124 -20.428 8.876 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.365 -21.949 10.424 1.00 0.00 H new ATOM 0 HD12 LEU A 51 9.582 -20.592 11.269 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.855 -22.215 11.329 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.497 -22.830 8.370 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.902 -23.200 9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 51 8.021 -22.179 7.617 1.00 0.00 H new ATOM 767 N THR A 52 4.188 -20.069 10.468 1.00 0.00 N ATOM 768 CA THR A 52 3.162 -19.182 11.014 1.00 0.00 C ATOM 769 C THR A 52 1.827 -19.408 10.301 1.00 0.00 C ATOM 770 O THR A 52 1.750 -20.201 9.367 1.00 0.00 O ATOM 771 CB THR A 52 3.648 -17.724 10.942 1.00 0.00 C ATOM 772 OG1 THR A 52 2.810 -16.881 11.704 1.00 0.00 O ATOM 773 CG2 THR A 52 3.703 -17.201 9.504 1.00 0.00 C ATOM 0 H THR A 52 4.092 -20.235 9.466 1.00 0.00 H new ATOM 0 HA THR A 52 2.990 -19.411 12.066 1.00 0.00 H new ATOM 0 HB THR A 52 4.659 -17.714 11.350 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.136 -15.958 11.648 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.052 -16.168 9.506 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.389 -17.815 8.920 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.708 -17.247 9.062 1.00 0.00 H new ATOM 781 N SER A 53 0.774 -18.717 10.752 1.00 0.00 N ATOM 782 CA SER A 53 -0.588 -18.881 10.256 1.00 0.00 C ATOM 783 C SER A 53 -1.351 -17.555 10.379 1.00 0.00 C ATOM 784 O SER A 53 -0.892 -16.668 11.098 1.00 0.00 O ATOM 785 CB SER A 53 -1.268 -20.008 11.046 1.00 0.00 C ATOM 786 OG SER A 53 -1.539 -19.597 12.369 1.00 0.00 O ATOM 0 H SER A 53 0.852 -18.015 11.487 1.00 0.00 H new ATOM 0 HA SER A 53 -0.581 -19.154 9.201 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.196 -20.296 10.552 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.626 -20.889 11.058 1.00 0.00 H new ATOM 0 HG SER A 53 -1.974 -20.328 12.856 1.00 0.00 H new ATOM 792 N PRO A 54 -2.505 -17.390 9.706 1.00 0.00 N ATOM 793 CA PRO A 54 -3.294 -16.164 9.745 1.00 0.00 C ATOM 794 C PRO A 54 -3.606 -15.699 11.168 1.00 0.00 C ATOM 795 O PRO A 54 -3.429 -14.525 11.482 1.00 0.00 O ATOM 796 CB PRO A 54 -4.567 -16.462 8.946 1.00 0.00 C ATOM 797 CG PRO A 54 -4.104 -17.533 7.963 1.00 0.00 C ATOM 798 CD PRO A 54 -3.131 -18.350 8.809 1.00 0.00 C ATOM 0 HA PRO A 54 -2.734 -15.335 9.312 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.372 -16.822 9.587 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.940 -15.575 8.433 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.935 -18.138 7.600 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.618 -17.100 7.088 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.652 -19.128 9.367 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.389 -18.848 8.185 1.00 0.00 H new ATOM 806 N GLU A 55 -4.058 -16.621 12.028 1.00 0.00 N ATOM 807 CA GLU A 55 -4.378 -16.333 13.420 1.00 0.00 C ATOM 808 C GLU A 55 -3.144 -15.893 14.217 1.00 0.00 C ATOM 809 O GLU A 55 -3.258 -15.029 15.084 1.00 0.00 O ATOM 810 CB GLU A 55 -5.099 -17.525 14.065 1.00 0.00 C ATOM 811 CG GLU A 55 -4.288 -18.826 14.056 1.00 0.00 C ATOM 812 CD GLU A 55 -5.076 -19.956 14.707 1.00 0.00 C ATOM 813 OE1 GLU A 55 -4.936 -20.112 15.940 1.00 0.00 O ATOM 814 OE2 GLU A 55 -5.809 -20.643 13.962 1.00 0.00 O ATOM 0 H GLU A 55 -4.211 -17.595 11.768 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.063 -15.485 13.439 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -5.347 -17.271 15.096 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.041 -17.693 13.542 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.035 -19.096 13.031 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.348 -18.678 14.588 1.00 0.00 H new ATOM 821 N THR A 56 -1.968 -16.467 13.927 1.00 0.00 N ATOM 822 CA THR A 56 -0.719 -16.088 14.576 1.00 0.00 C ATOM 823 C THR A 56 -0.328 -14.663 14.176 1.00 0.00 C ATOM 824 O THR A 56 0.046 -13.863 15.029 1.00 0.00 O ATOM 825 CB THR A 56 0.387 -17.089 14.211 1.00 0.00 C ATOM 826 OG1 THR A 56 -0.059 -18.411 14.430 1.00 0.00 O ATOM 827 CG2 THR A 56 1.660 -16.855 15.029 1.00 0.00 C ATOM 0 H THR A 56 -1.863 -17.208 13.234 1.00 0.00 H new ATOM 0 HA THR A 56 -0.855 -16.110 15.657 1.00 0.00 H new ATOM 0 HB THR A 56 0.620 -16.940 13.157 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.550 -18.725 13.642 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.417 -17.584 14.740 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.034 -15.849 14.840 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.436 -16.965 16.090 1.00 0.00 H new ATOM 835 N LEU A 57 -0.418 -14.352 12.877 1.00 0.00 N ATOM 836 CA LEU A 57 -0.103 -13.039 12.328 1.00 0.00 C ATOM 837 C LEU A 57 -1.040 -11.978 12.909 1.00 0.00 C ATOM 838 O LEU A 57 -0.580 -10.925 13.345 1.00 0.00 O ATOM 839 CB LEU A 57 -0.184 -13.088 10.796 1.00 0.00 C ATOM 840 CG LEU A 57 0.875 -14.014 10.172 1.00 0.00 C ATOM 841 CD1 LEU A 57 0.503 -14.317 8.717 1.00 0.00 C ATOM 842 CD2 LEU A 57 2.273 -13.392 10.227 1.00 0.00 C ATOM 0 H LEU A 57 -0.718 -15.023 12.170 1.00 0.00 H new ATOM 0 HA LEU A 57 0.914 -12.763 12.607 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.177 -13.427 10.500 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.060 -12.081 10.398 1.00 0.00 H new ATOM 0 HG LEU A 57 0.895 -14.937 10.751 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.255 -14.973 8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.470 -14.808 8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.459 -13.386 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.993 -14.075 9.777 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.274 -12.450 9.678 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.548 -13.207 11.265 1.00 0.00 H new ATOM 854 N ARG A 58 -2.346 -12.268 12.939 1.00 0.00 N ATOM 855 CA ARG A 58 -3.348 -11.462 13.625 1.00 0.00 C ATOM 856 C ARG A 58 -2.927 -11.226 15.078 1.00 0.00 C ATOM 857 O ARG A 58 -2.973 -10.094 15.551 1.00 0.00 O ATOM 858 CB ARG A 58 -4.705 -12.170 13.531 1.00 0.00 C ATOM 859 CG ARG A 58 -5.798 -11.480 14.357 1.00 0.00 C ATOM 860 CD ARG A 58 -7.167 -12.126 14.133 1.00 0.00 C ATOM 861 NE ARG A 58 -7.158 -13.550 14.495 1.00 0.00 N ATOM 862 CZ ARG A 58 -8.243 -14.340 14.527 1.00 0.00 C ATOM 863 NH1 ARG A 58 -9.460 -13.851 14.254 1.00 0.00 N ATOM 864 NH2 ARG A 58 -8.105 -15.635 14.838 1.00 0.00 N ATOM 0 H ARG A 58 -2.738 -13.088 12.476 1.00 0.00 H new ATOM 0 HA ARG A 58 -3.436 -10.484 13.151 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.016 -12.210 12.487 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.596 -13.200 13.871 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.541 -11.529 15.415 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.845 -10.424 14.089 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.918 -11.604 14.726 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.455 -12.017 13.087 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.261 -13.969 14.740 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -9.572 -12.865 14.017 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.274 -14.465 14.283 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.181 -16.013 15.048 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.923 -16.243 14.865 1.00 0.00 H new ATOM 878 N GLY A 59 -2.507 -12.291 15.773 1.00 0.00 N ATOM 879 CA GLY A 59 -2.001 -12.232 17.136 1.00 0.00 C ATOM 880 C GLY A 59 -0.829 -11.260 17.278 1.00 0.00 C ATOM 881 O GLY A 59 -0.799 -10.475 18.222 1.00 0.00 O ATOM 0 H GLY A 59 -2.513 -13.235 15.388 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.805 -11.929 17.807 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.684 -13.228 17.447 1.00 0.00 H new ATOM 885 N ALA A 60 0.134 -11.307 16.349 1.00 0.00 N ATOM 886 CA ALA A 60 1.306 -10.441 16.360 1.00 0.00 C ATOM 887 C ALA A 60 0.913 -8.972 16.175 1.00 0.00 C ATOM 888 O ALA A 60 1.370 -8.114 16.925 1.00 0.00 O ATOM 889 CB ALA A 60 2.295 -10.894 15.283 1.00 0.00 C ATOM 0 H ALA A 60 0.115 -11.956 15.563 1.00 0.00 H new ATOM 0 HA ALA A 60 1.791 -10.521 17.333 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.169 -10.243 15.295 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.604 -11.920 15.481 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.817 -10.841 14.305 1.00 0.00 H new ATOM 895 N ILE A 61 0.063 -8.682 15.185 1.00 0.00 N ATOM 896 CA ILE A 61 -0.435 -7.337 14.911 1.00 0.00 C ATOM 897 C ILE A 61 -1.213 -6.805 16.125 1.00 0.00 C ATOM 898 O ILE A 61 -1.065 -5.644 16.503 1.00 0.00 O ATOM 899 CB ILE A 61 -1.290 -7.367 13.630 1.00 0.00 C ATOM 900 CG1 ILE A 61 -0.443 -7.758 12.402 1.00 0.00 C ATOM 901 CG2 ILE A 61 -1.930 -5.996 13.386 1.00 0.00 C ATOM 902 CD1 ILE A 61 -1.301 -8.303 11.256 1.00 0.00 C ATOM 0 H ILE A 61 -0.302 -9.387 14.544 1.00 0.00 H new ATOM 0 HA ILE A 61 0.396 -6.651 14.743 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.069 -8.116 13.771 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.113 -6.887 12.055 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.291 -8.510 12.693 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.531 -6.032 12.478 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.566 -5.736 14.232 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.149 -5.244 13.275 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.660 -8.564 10.414 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.837 -9.190 11.593 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.017 -7.543 10.944 1.00 0.00 H new ATOM 914 N GLU A 62 -2.035 -7.661 16.741 1.00 0.00 N ATOM 915 CA GLU A 62 -2.786 -7.346 17.946 1.00 0.00 C ATOM 916 C GLU A 62 -1.841 -7.047 19.113 1.00 0.00 C ATOM 917 O GLU A 62 -2.086 -6.113 19.874 1.00 0.00 O ATOM 918 CB GLU A 62 -3.752 -8.498 18.247 1.00 0.00 C ATOM 919 CG GLU A 62 -4.712 -8.171 19.394 1.00 0.00 C ATOM 920 CD GLU A 62 -5.739 -9.286 19.565 1.00 0.00 C ATOM 921 OE1 GLU A 62 -5.407 -10.260 20.274 1.00 0.00 O ATOM 922 OE2 GLU A 62 -6.834 -9.148 18.980 1.00 0.00 O ATOM 0 H GLU A 62 -2.195 -8.610 16.403 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.375 -6.442 17.794 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.327 -8.730 17.351 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.180 -9.391 18.499 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.151 -8.040 20.319 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.220 -7.228 19.193 1.00 0.00 H new ATOM 929 N ASP A 63 -0.761 -7.827 19.247 1.00 0.00 N ATOM 930 CA ASP A 63 0.259 -7.632 20.268 1.00 0.00 C ATOM 931 C ASP A 63 0.961 -6.282 20.095 1.00 0.00 C ATOM 932 O ASP A 63 1.193 -5.592 21.086 1.00 0.00 O ATOM 933 CB ASP A 63 1.254 -8.799 20.248 1.00 0.00 C ATOM 934 CG ASP A 63 2.309 -8.656 21.341 1.00 0.00 C ATOM 935 OD1 ASP A 63 1.979 -8.995 22.498 1.00 0.00 O ATOM 936 OD2 ASP A 63 3.426 -8.209 21.001 1.00 0.00 O ATOM 0 H ASP A 63 -0.575 -8.622 18.636 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.222 -7.616 21.246 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.717 -9.738 20.381 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.742 -8.845 19.274 1.00 0.00 H new ATOM 941 N MET A 64 1.283 -5.895 18.852 1.00 0.00 N ATOM 942 CA MET A 64 1.819 -4.569 18.555 1.00 0.00 C ATOM 943 C MET A 64 0.833 -3.489 19.010 1.00 0.00 C ATOM 944 O MET A 64 1.240 -2.533 19.668 1.00 0.00 O ATOM 945 CB MET A 64 2.149 -4.417 17.065 1.00 0.00 C ATOM 946 CG MET A 64 3.351 -5.267 16.646 1.00 0.00 C ATOM 947 SD MET A 64 3.820 -5.100 14.901 1.00 0.00 S ATOM 948 CE MET A 64 4.473 -3.409 14.915 1.00 0.00 C ATOM 0 H MET A 64 1.178 -6.493 18.032 1.00 0.00 H new ATOM 0 HA MET A 64 2.751 -4.448 19.107 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.280 -4.703 16.472 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.354 -3.369 16.846 1.00 0.00 H new ATOM 0 HG2 MET A 64 4.205 -4.996 17.266 1.00 0.00 H new ATOM 0 HG3 MET A 64 3.128 -6.314 16.851 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.015 -3.220 13.988 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.649 -2.701 15.004 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.149 -3.287 15.761 1.00 0.00 H new ATOM 958 N GLY A 65 -0.455 -3.655 18.677 1.00 0.00 N ATOM 959 CA GLY A 65 -1.541 -2.840 19.203 1.00 0.00 C ATOM 960 C GLY A 65 -2.393 -2.248 18.088 1.00 0.00 C ATOM 961 O GLY A 65 -2.520 -1.028 17.996 1.00 0.00 O ATOM 0 H GLY A 65 -0.768 -4.373 18.024 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.168 -3.447 19.857 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.130 -2.036 19.813 1.00 0.00 H new ATOM 965 N PHE A 66 -2.983 -3.113 17.254 1.00 0.00 N ATOM 966 CA PHE A 66 -3.915 -2.722 16.204 1.00 0.00 C ATOM 967 C PHE A 66 -5.051 -3.740 16.139 1.00 0.00 C ATOM 968 O PHE A 66 -4.833 -4.925 16.389 1.00 0.00 O ATOM 969 CB PHE A 66 -3.190 -2.621 14.860 1.00 0.00 C ATOM 970 CG PHE A 66 -2.002 -1.683 14.867 1.00 0.00 C ATOM 971 CD1 PHE A 66 -2.218 -0.298 14.771 1.00 0.00 C ATOM 972 CD2 PHE A 66 -0.705 -2.178 15.106 1.00 0.00 C ATOM 973 CE1 PHE A 66 -1.142 0.594 14.909 1.00 0.00 C ATOM 974 CE2 PHE A 66 0.371 -1.284 15.245 1.00 0.00 C ATOM 975 CZ PHE A 66 0.154 0.102 15.142 1.00 0.00 C ATOM 0 H PHE A 66 -2.820 -4.119 17.295 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.332 -1.741 16.430 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.853 -3.615 14.566 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.898 -2.287 14.102 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.213 0.081 14.591 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.538 -3.242 15.182 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.310 1.658 14.836 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.365 -1.662 15.431 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.982 0.788 15.242 1.00 0.00 H new ATOM 985 N ASP A 67 -6.263 -3.282 15.805 1.00 0.00 N ATOM 986 CA ASP A 67 -7.444 -4.129 15.751 1.00 0.00 C ATOM 987 C ASP A 67 -7.399 -4.978 14.481 1.00 0.00 C ATOM 988 O ASP A 67 -7.859 -4.547 13.424 1.00 0.00 O ATOM 989 CB ASP A 67 -8.703 -3.258 15.834 1.00 0.00 C ATOM 990 CG ASP A 67 -9.979 -4.081 15.669 1.00 0.00 C ATOM 991 OD1 ASP A 67 -10.185 -4.985 16.507 1.00 0.00 O ATOM 992 OD2 ASP A 67 -10.724 -3.796 14.707 1.00 0.00 O ATOM 0 H ASP A 67 -6.445 -2.308 15.565 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.467 -4.812 16.600 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.725 -2.743 16.794 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.664 -2.490 15.061 1.00 0.00 H new ATOM 997 N ALA A 68 -6.834 -6.186 14.601 1.00 0.00 N ATOM 998 CA ALA A 68 -6.606 -7.111 13.503 1.00 0.00 C ATOM 999 C ALA A 68 -7.702 -8.176 13.475 1.00 0.00 C ATOM 1000 O ALA A 68 -8.018 -8.763 14.509 1.00 0.00 O ATOM 1001 CB ALA A 68 -5.227 -7.748 13.670 1.00 0.00 C ATOM 0 H ALA A 68 -6.515 -6.551 15.499 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.638 -6.576 12.554 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.046 -8.444 12.851 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.463 -6.970 13.661 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.187 -8.285 14.618 1.00 0.00 H new ATOM 1007 N THR A 69 -8.279 -8.415 12.291 1.00 0.00 N ATOM 1008 CA THR A 69 -9.342 -9.386 12.064 1.00 0.00 C ATOM 1009 C THR A 69 -9.125 -10.028 10.694 1.00 0.00 C ATOM 1010 O THR A 69 -8.862 -9.323 9.722 1.00 0.00 O ATOM 1011 CB THR A 69 -10.708 -8.683 12.144 1.00 0.00 C ATOM 1012 OG1 THR A 69 -10.878 -8.100 13.419 1.00 0.00 O ATOM 1013 CG2 THR A 69 -11.865 -9.660 11.908 1.00 0.00 C ATOM 0 H THR A 69 -8.006 -7.920 11.442 1.00 0.00 H new ATOM 0 HA THR A 69 -9.324 -10.165 12.827 1.00 0.00 H new ATOM 0 HB THR A 69 -10.722 -7.921 11.365 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.749 -7.653 13.461 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.812 -9.125 11.973 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.768 -10.107 10.919 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.839 -10.444 12.665 1.00 0.00 H new ATOM 1021 N LEU A 70 -9.232 -11.360 10.613 1.00 0.00 N ATOM 1022 CA LEU A 70 -9.023 -12.103 9.376 1.00 0.00 C ATOM 1023 C LEU A 70 -10.087 -11.713 8.348 1.00 0.00 C ATOM 1024 O LEU A 70 -11.278 -11.756 8.653 1.00 0.00 O ATOM 1025 CB LEU A 70 -9.071 -13.618 9.636 1.00 0.00 C ATOM 1026 CG LEU A 70 -8.146 -14.102 10.765 1.00 0.00 C ATOM 1027 CD1 LEU A 70 -8.224 -15.628 10.878 1.00 0.00 C ATOM 1028 CD2 LEU A 70 -6.690 -13.684 10.547 1.00 0.00 C ATOM 0 H LEU A 70 -9.467 -11.950 11.411 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.037 -11.853 8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.096 -13.900 9.877 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.805 -14.140 8.717 1.00 0.00 H new ATOM 0 HG LEU A 70 -8.489 -13.633 11.687 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.567 -15.968 11.679 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.249 -15.925 11.099 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.911 -16.079 9.936 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.079 -14.050 11.372 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.326 -14.107 9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.626 -12.597 10.503 1.00 0.00 H new