USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 682 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 21 THR OG1 : rot 135:sc= 0.939 USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 9 SER OG : rot -14:sc= 0.117! USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 14 ASN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.15) USER MOD Single : A 18 THR OG1 : rot -21:sc= 0.396 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 0:sc= -0.464 USER MOD Single : A 45 THR OG1 : rot 64:sc= 0.771 USER MOD Single : A 52 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.27) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -3.6 K(o=-3.6,f=-0.59) USER MOD Single : A 58 GLN : amide:sc= -0.239 K(o=-0.24,f=-2!) USER MOD Single : A 59 ASN : amide:sc= -2.52! C(o=-2.5!,f=-3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0107 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0743 USER MOD Single : A 67 THR OG1 : rot 173:sc= -0.963 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 5:sc= -0.91 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 130:sc= 0.029 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.0645 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 109:sc= -0.517 USER MOD Single : A 93 SER OG : rot 72:sc= -2.65! USER MOD Single : A 95 SER OG : rot -125:sc= -2.92! USER MOD Single : A 97 GLN : amide:sc=-0.000344 X(o=-0.00034,f=0) USER MOD Single : A 98 SER OG : rot -150:sc= -0.296 USER MOD Single : A 100 THR OG1 : rot -124:sc= -0.207 USER MOD Single : A 101 MET CE :methyl -106:sc= -1.7 (180deg=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -3.235 -14.570 -4.382 1.00 0.00 N ATOM 67 CA PRO A 8 -4.576 -14.052 -4.669 1.00 0.00 C ATOM 68 C PRO A 8 -4.676 -13.445 -6.065 1.00 0.00 C ATOM 69 O PRO A 8 -3.671 -13.291 -6.758 1.00 0.00 O ATOM 70 CB PRO A 8 -4.774 -12.972 -3.602 1.00 0.00 C ATOM 71 CG PRO A 8 -3.395 -12.540 -3.239 1.00 0.00 C ATOM 72 CD PRO A 8 -2.529 -13.761 -3.374 1.00 0.00 C ATOM 0 HA PRO A 8 -5.331 -14.838 -4.646 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.361 -12.138 -3.987 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.307 -13.364 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.050 -11.742 -3.897 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.363 -12.150 -2.222 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.521 -13.505 -3.699 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.433 -14.293 -2.427 1.00 0.00 H new ATOM 80 N SER A 9 -5.895 -13.104 -6.470 1.00 0.00 N ATOM 81 CA SER A 9 -6.127 -12.517 -7.785 1.00 0.00 C ATOM 82 C SER A 9 -6.810 -11.159 -7.661 1.00 0.00 C ATOM 83 O SER A 9 -6.870 -10.391 -8.621 1.00 0.00 O ATOM 84 CB SER A 9 -6.981 -13.454 -8.641 1.00 0.00 C ATOM 85 OG SER A 9 -7.432 -12.802 -9.815 1.00 0.00 O ATOM 0 H SER A 9 -6.737 -13.224 -5.907 1.00 0.00 H new ATOM 0 HA SER A 9 -5.160 -12.375 -8.268 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.400 -14.336 -8.911 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.837 -13.801 -8.062 1.00 0.00 H new ATOM 0 HG SER A 9 -7.296 -11.836 -9.725 1.00 0.00 H new ATOM 91 N GLY A 10 -7.325 -10.869 -6.470 1.00 0.00 N ATOM 92 CA GLY A 10 -7.997 -9.603 -6.241 1.00 0.00 C ATOM 93 C GLY A 10 -7.241 -8.711 -5.276 1.00 0.00 C ATOM 94 O GLY A 10 -6.436 -9.190 -4.478 1.00 0.00 O ATOM 0 H GLY A 10 -7.289 -11.488 -5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.120 -9.083 -7.191 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.997 -9.791 -5.849 1.00 0.00 H new ATOM 98 N PHE A 11 -7.499 -7.409 -5.351 1.00 0.00 N ATOM 99 CA PHE A 11 -6.835 -6.447 -4.480 1.00 0.00 C ATOM 100 C PHE A 11 -7.831 -5.805 -3.519 1.00 0.00 C ATOM 101 O PHE A 11 -9.038 -5.782 -3.760 1.00 0.00 O ATOM 102 CB PHE A 11 -6.143 -5.366 -5.312 1.00 0.00 C ATOM 103 CG PHE A 11 -6.953 -4.906 -6.491 1.00 0.00 C ATOM 104 CD1 PHE A 11 -6.924 -5.609 -7.685 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.744 -3.772 -6.404 1.00 0.00 C ATOM 106 CE1 PHE A 11 -7.668 -5.188 -8.770 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.491 -3.347 -7.487 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.453 -4.056 -8.671 1.00 0.00 C ATOM 0 H PHE A 11 -8.163 -6.997 -6.006 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.086 -6.981 -3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.927 -4.510 -4.673 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.186 -5.749 -5.666 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.313 -6.496 -7.768 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.778 -3.214 -5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.636 -5.744 -9.695 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.104 -2.461 -7.407 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.036 -3.726 -9.518 1.00 0.00 H new ATOM 118 N PRO A 12 -7.315 -5.272 -2.402 1.00 0.00 N ATOM 119 CA PRO A 12 -8.141 -4.619 -1.381 1.00 0.00 C ATOM 120 C PRO A 12 -8.720 -3.294 -1.864 1.00 0.00 C ATOM 121 O PRO A 12 -8.296 -2.758 -2.888 1.00 0.00 O ATOM 122 CB PRO A 12 -7.162 -4.387 -0.228 1.00 0.00 C ATOM 123 CG PRO A 12 -5.822 -4.326 -0.875 1.00 0.00 C ATOM 124 CD PRO A 12 -5.885 -5.264 -2.049 1.00 0.00 C ATOM 0 HA PRO A 12 -9.006 -5.224 -1.108 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.388 -3.462 0.303 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.212 -5.194 0.503 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.591 -3.311 -1.199 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.039 -4.625 -0.179 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.269 -4.914 -2.877 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.530 -6.261 -1.787 1.00 0.00 H new ATOM 132 N GLN A 13 -9.689 -2.771 -1.120 1.00 0.00 N ATOM 133 CA GLN A 13 -10.325 -1.507 -1.474 1.00 0.00 C ATOM 134 C GLN A 13 -10.250 -0.517 -0.317 1.00 0.00 C ATOM 135 O GLN A 13 -9.678 -0.814 0.731 1.00 0.00 O ATOM 136 CB GLN A 13 -11.785 -1.740 -1.868 1.00 0.00 C ATOM 137 CG GLN A 13 -12.025 -3.074 -2.556 1.00 0.00 C ATOM 138 CD GLN A 13 -11.451 -3.119 -3.958 1.00 0.00 C ATOM 139 OE1 GLN A 13 -10.952 -2.116 -4.470 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.519 -4.286 -4.589 1.00 0.00 N ATOM 0 H GLN A 13 -10.051 -3.202 -0.269 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.789 -1.085 -2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.407 -1.685 -0.974 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.106 -0.936 -2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.581 -3.871 -1.960 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.097 -3.268 -2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.941 -5.092 -4.127 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.149 -4.376 -5.535 1.00 0.00 H new ATOM 149 N ASN A 14 -10.831 0.662 -0.515 1.00 0.00 N ATOM 150 CA ASN A 14 -10.829 1.697 0.513 1.00 0.00 C ATOM 151 C ASN A 14 -9.407 2.158 0.817 1.00 0.00 C ATOM 152 O ASN A 14 -9.113 2.614 1.924 1.00 0.00 O ATOM 153 CB ASN A 14 -11.494 1.179 1.790 1.00 0.00 C ATOM 154 CG ASN A 14 -12.985 1.450 1.816 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.519 1.950 2.807 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.666 1.121 0.724 1.00 0.00 N ATOM 0 H ASN A 14 -11.309 0.924 -1.377 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.396 2.549 0.137 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.321 0.106 1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.027 1.649 2.656 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.673 1.280 0.683 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.182 0.709 -0.074 1.00 0.00 H new ATOM 163 N LEU A 15 -8.527 2.037 -0.171 1.00 0.00 N ATOM 164 CA LEU A 15 -7.135 2.441 -0.009 1.00 0.00 C ATOM 165 C LEU A 15 -6.997 3.959 -0.081 1.00 0.00 C ATOM 166 O LEU A 15 -7.216 4.564 -1.131 1.00 0.00 O ATOM 167 CB LEU A 15 -6.265 1.787 -1.085 1.00 0.00 C ATOM 168 CG LEU A 15 -4.754 1.875 -0.871 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.352 1.151 0.405 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.011 1.301 -2.069 1.00 0.00 C ATOM 0 H LEU A 15 -8.753 1.662 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.798 2.110 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.541 0.735 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.503 2.246 -2.045 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.482 2.926 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.273 1.224 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.857 1.607 1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.638 0.102 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.937 1.372 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.289 0.256 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.275 1.864 -2.964 1.00 0.00 H new ATOM 182 N HIS A 16 -6.630 4.568 1.042 1.00 0.00 N ATOM 183 CA HIS A 16 -6.460 6.015 1.105 1.00 0.00 C ATOM 184 C HIS A 16 -5.725 6.420 2.380 1.00 0.00 C ATOM 185 O HIS A 16 -5.281 5.569 3.150 1.00 0.00 O ATOM 186 CB HIS A 16 -7.819 6.713 1.043 1.00 0.00 C ATOM 187 CG HIS A 16 -8.800 6.204 2.053 1.00 0.00 C ATOM 188 ND1 HIS A 16 -9.923 5.479 1.712 1.00 0.00 N ATOM 189 CD2 HIS A 16 -8.823 6.318 3.401 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.594 5.170 2.808 1.00 0.00 C ATOM 191 NE2 HIS A 16 -9.947 5.668 3.847 1.00 0.00 N ATOM 0 H HIS A 16 -6.445 4.083 1.920 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.862 6.324 0.247 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.676 7.783 1.195 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.238 6.586 0.045 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.092 6.826 4.013 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.514 4.606 2.848 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.236 5.583 4.822 1.00 0.00 H new ATOM 200 N VAL A 17 -5.599 7.726 2.595 1.00 0.00 N ATOM 201 CA VAL A 17 -4.919 8.244 3.776 1.00 0.00 C ATOM 202 C VAL A 17 -5.916 8.803 4.784 1.00 0.00 C ATOM 203 O VAL A 17 -6.783 9.607 4.438 1.00 0.00 O ATOM 204 CB VAL A 17 -3.909 9.346 3.404 1.00 0.00 C ATOM 205 CG1 VAL A 17 -4.596 10.460 2.629 1.00 0.00 C ATOM 206 CG2 VAL A 17 -3.233 9.892 4.652 1.00 0.00 C ATOM 0 H VAL A 17 -5.959 8.444 1.967 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.384 7.407 4.225 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.142 8.911 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.867 11.229 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.029 10.054 1.715 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.385 10.896 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.523 10.669 4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.986 10.312 5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.705 9.086 5.162 1.00 0.00 H new ATOM 216 N THR A 18 -5.788 8.374 6.036 1.00 0.00 N ATOM 217 CA THR A 18 -6.678 8.830 7.096 1.00 0.00 C ATOM 218 C THR A 18 -6.066 9.997 7.863 1.00 0.00 C ATOM 219 O THR A 18 -6.748 10.670 8.636 1.00 0.00 O ATOM 220 CB THR A 18 -7.004 7.695 8.084 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.925 8.160 9.078 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.739 7.183 8.757 1.00 0.00 C ATOM 0 H THR A 18 -5.076 7.711 6.340 1.00 0.00 H new ATOM 0 HA THR A 18 -7.600 9.158 6.615 1.00 0.00 H new ATOM 0 HB THR A 18 -7.456 6.876 7.525 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.888 9.138 9.126 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.995 6.382 9.450 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.053 6.803 8.000 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.262 7.997 9.303 1.00 0.00 H new ATOM 230 N GLY A 19 -4.776 10.231 7.644 1.00 0.00 N ATOM 231 CA GLY A 19 -4.094 11.318 8.323 1.00 0.00 C ATOM 232 C GLY A 19 -2.644 11.446 7.901 1.00 0.00 C ATOM 233 O GLY A 19 -1.738 11.049 8.636 1.00 0.00 O ATOM 0 H GLY A 19 -4.191 9.688 7.009 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.613 12.254 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.143 11.157 9.400 1.00 0.00 H new ATOM 237 N LEU A 20 -2.422 11.999 6.714 1.00 0.00 N ATOM 238 CA LEU A 20 -1.070 12.177 6.194 1.00 0.00 C ATOM 239 C LEU A 20 -0.288 13.176 7.040 1.00 0.00 C ATOM 240 O LEU A 20 -0.850 13.850 7.905 1.00 0.00 O ATOM 241 CB LEU A 20 -1.121 12.653 4.741 1.00 0.00 C ATOM 242 CG LEU A 20 -1.148 14.167 4.530 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.253 14.498 3.050 1.00 0.00 C ATOM 244 CD2 LEU A 20 -2.301 14.792 5.302 1.00 0.00 C ATOM 0 H LEU A 20 -3.160 12.332 6.093 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.561 11.214 6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.255 12.249 4.217 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.006 12.225 4.271 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.215 14.584 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.271 15.580 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.394 14.083 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.169 14.069 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.305 15.870 5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.243 14.369 4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.181 14.585 6.365 1.00 0.00 H new ATOM 256 N THR A 21 1.014 13.268 6.786 1.00 0.00 N ATOM 257 CA THR A 21 1.874 14.185 7.523 1.00 0.00 C ATOM 258 C THR A 21 2.964 14.759 6.626 1.00 0.00 C ATOM 259 O THR A 21 3.348 14.147 5.628 1.00 0.00 O ATOM 260 CB THR A 21 2.531 13.490 8.730 1.00 0.00 C ATOM 261 OG1 THR A 21 1.586 12.627 9.374 1.00 0.00 O ATOM 262 CG2 THR A 21 3.051 14.514 9.728 1.00 0.00 C ATOM 0 H THR A 21 1.496 12.718 6.075 1.00 0.00 H new ATOM 0 HA THR A 21 1.239 14.995 7.881 1.00 0.00 H new ATOM 0 HB THR A 21 3.372 12.900 8.366 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.012 11.767 9.574 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.511 13.999 10.572 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.792 15.150 9.244 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.223 15.127 10.084 1.00 0.00 H new ATOM 270 N THR A 22 3.461 15.938 6.986 1.00 0.00 N ATOM 271 CA THR A 22 4.508 16.594 6.212 1.00 0.00 C ATOM 272 C THR A 22 5.576 15.598 5.776 1.00 0.00 C ATOM 273 O THR A 22 5.962 15.560 4.608 1.00 0.00 O ATOM 274 CB THR A 22 5.175 17.726 7.017 1.00 0.00 C ATOM 275 OG1 THR A 22 5.426 17.291 8.358 1.00 0.00 O ATOM 276 CG2 THR A 22 4.295 18.967 7.038 1.00 0.00 C ATOM 0 H THR A 22 3.156 16.458 7.808 1.00 0.00 H new ATOM 0 HA THR A 22 4.030 17.018 5.329 1.00 0.00 H new ATOM 0 HB THR A 22 6.119 17.978 6.534 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.852 18.015 8.863 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.787 19.752 7.612 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.129 19.313 6.018 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.337 18.726 7.499 1.00 0.00 H new ATOM 284 N SER A 23 6.049 14.792 6.721 1.00 0.00 N ATOM 285 CA SER A 23 7.075 13.797 6.434 1.00 0.00 C ATOM 286 C SER A 23 6.468 12.401 6.345 1.00 0.00 C ATOM 287 O SER A 23 6.772 11.635 5.429 1.00 0.00 O ATOM 288 CB SER A 23 8.159 13.826 7.513 1.00 0.00 C ATOM 289 OG SER A 23 7.594 13.710 8.807 1.00 0.00 O ATOM 0 H SER A 23 5.738 14.809 7.692 1.00 0.00 H new ATOM 0 HA SER A 23 7.524 14.041 5.471 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.864 13.012 7.346 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.723 14.756 7.441 1.00 0.00 H new ATOM 0 HG SER A 23 8.308 13.729 9.478 1.00 0.00 H new ATOM 295 N THR A 24 5.607 12.074 7.303 1.00 0.00 N ATOM 296 CA THR A 24 4.957 10.770 7.335 1.00 0.00 C ATOM 297 C THR A 24 3.595 10.817 6.651 1.00 0.00 C ATOM 298 O THR A 24 3.026 11.891 6.450 1.00 0.00 O ATOM 299 CB THR A 24 4.775 10.268 8.780 1.00 0.00 C ATOM 300 OG1 THR A 24 3.649 10.913 9.385 1.00 0.00 O ATOM 301 CG2 THR A 24 6.024 10.535 9.606 1.00 0.00 C ATOM 0 H THR A 24 5.343 12.695 8.068 1.00 0.00 H new ATOM 0 HA THR A 24 5.607 10.080 6.797 1.00 0.00 H new ATOM 0 HB THR A 24 4.602 9.192 8.749 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.540 10.587 10.303 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.872 10.172 10.623 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.873 10.018 9.159 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.223 11.606 9.629 1.00 0.00 H new ATOM 309 N THR A 25 3.076 9.647 6.295 1.00 0.00 N ATOM 310 CA THR A 25 1.781 9.555 5.633 1.00 0.00 C ATOM 311 C THR A 25 1.000 8.339 6.118 1.00 0.00 C ATOM 312 O THR A 25 1.385 7.199 5.858 1.00 0.00 O ATOM 313 CB THR A 25 1.937 9.473 4.102 1.00 0.00 C ATOM 314 OG1 THR A 25 2.141 10.782 3.560 1.00 0.00 O ATOM 315 CG2 THR A 25 0.708 8.840 3.466 1.00 0.00 C ATOM 0 H THR A 25 3.533 8.749 6.454 1.00 0.00 H new ATOM 0 HA THR A 25 1.232 10.461 5.887 1.00 0.00 H new ATOM 0 HB THR A 25 2.803 8.850 3.880 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.241 10.721 2.587 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.841 8.793 2.385 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.573 7.832 3.859 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.172 9.441 3.697 1.00 0.00 H new ATOM 323 N GLU A 26 -0.098 8.589 6.824 1.00 0.00 N ATOM 324 CA GLU A 26 -0.933 7.513 7.345 1.00 0.00 C ATOM 325 C GLU A 26 -1.743 6.863 6.228 1.00 0.00 C ATOM 326 O GLU A 26 -1.972 7.467 5.179 1.00 0.00 O ATOM 327 CB GLU A 26 -1.873 8.046 8.428 1.00 0.00 C ATOM 328 CG GLU A 26 -1.181 8.326 9.752 1.00 0.00 C ATOM 329 CD GLU A 26 -2.149 8.376 10.917 1.00 0.00 C ATOM 330 OE1 GLU A 26 -3.013 9.278 10.932 1.00 0.00 O ATOM 331 OE2 GLU A 26 -2.044 7.514 11.815 1.00 0.00 O ATOM 0 H GLU A 26 -0.430 9.527 7.048 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.278 6.759 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.341 8.963 8.071 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.672 7.323 8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.434 7.554 9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.649 9.275 9.686 1.00 0.00 H new ATOM 338 N LEU A 27 -2.174 5.627 6.459 1.00 0.00 N ATOM 339 CA LEU A 27 -2.958 4.893 5.473 1.00 0.00 C ATOM 340 C LEU A 27 -4.071 4.096 6.146 1.00 0.00 C ATOM 341 O LEU A 27 -4.042 3.871 7.355 1.00 0.00 O ATOM 342 CB LEU A 27 -2.056 3.954 4.670 1.00 0.00 C ATOM 343 CG LEU A 27 -0.889 4.613 3.933 1.00 0.00 C ATOM 344 CD1 LEU A 27 -0.037 3.563 3.237 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.401 5.637 2.931 1.00 0.00 C ATOM 0 H LEU A 27 -1.993 5.113 7.321 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.413 5.616 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.653 3.202 5.348 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.671 3.428 3.939 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.267 5.130 4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.788 4.050 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.359 2.867 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.647 3.018 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.557 6.096 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.045 5.143 2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.968 6.406 3.455 1.00 0.00 H new ATOM 357 N ALA A 28 -5.049 3.669 5.354 1.00 0.00 N ATOM 358 CA ALA A 28 -6.168 2.892 5.872 1.00 0.00 C ATOM 359 C ALA A 28 -6.977 2.271 4.738 1.00 0.00 C ATOM 360 O ALA A 28 -7.702 2.967 4.027 1.00 0.00 O ATOM 361 CB ALA A 28 -7.059 3.767 6.741 1.00 0.00 C ATOM 0 H ALA A 28 -5.089 3.848 4.351 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.766 2.083 6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.891 3.174 7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.480 4.159 7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.445 4.596 6.148 1.00 0.00 H new ATOM 367 N TRP A 29 -6.848 0.960 4.576 1.00 0.00 N ATOM 368 CA TRP A 29 -7.567 0.245 3.527 1.00 0.00 C ATOM 369 C TRP A 29 -8.352 -0.927 4.106 1.00 0.00 C ATOM 370 O TRP A 29 -8.324 -1.168 5.313 1.00 0.00 O ATOM 371 CB TRP A 29 -6.591 -0.256 2.461 1.00 0.00 C ATOM 372 CG TRP A 29 -5.573 -1.218 2.993 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.675 -2.579 3.035 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.300 -0.891 3.561 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.542 -3.119 3.595 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.682 -2.104 3.925 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.620 0.307 3.795 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.420 -2.150 4.511 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.367 0.260 4.376 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.778 -0.962 4.728 1.00 0.00 C ATOM 0 H TRP A 29 -6.253 0.370 5.157 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.272 0.938 3.067 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.153 -0.739 1.662 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.077 0.598 2.019 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.522 -3.148 2.680 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.369 -4.114 3.741 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.066 1.253 3.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.964 -3.090 4.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.833 1.180 4.562 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.797 -0.966 5.180 1.00 0.00 H new ATOM 391 N ASP A 30 -9.051 -1.651 3.240 1.00 0.00 N ATOM 392 CA ASP A 30 -9.843 -2.799 3.666 1.00 0.00 C ATOM 393 C ASP A 30 -9.418 -4.060 2.920 1.00 0.00 C ATOM 394 O ASP A 30 -8.808 -4.003 1.852 1.00 0.00 O ATOM 395 CB ASP A 30 -11.331 -2.533 3.436 1.00 0.00 C ATOM 396 CG ASP A 30 -11.818 -3.076 2.107 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.599 -2.406 1.077 1.00 0.00 O ATOM 398 OD2 ASP A 30 -12.419 -4.171 2.098 1.00 0.00 O ATOM 0 H ASP A 30 -9.086 -1.464 2.238 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.670 -2.953 4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.907 -2.986 4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.516 -1.459 3.476 1.00 0.00 H new ATOM 403 N PRO A 31 -9.745 -5.227 3.494 1.00 0.00 N ATOM 404 CA PRO A 31 -9.407 -6.524 2.901 1.00 0.00 C ATOM 405 C PRO A 31 -10.208 -6.809 1.635 1.00 0.00 C ATOM 406 O PRO A 31 -11.235 -6.185 1.368 1.00 0.00 O ATOM 407 CB PRO A 31 -9.771 -7.523 4.001 1.00 0.00 C ATOM 408 CG PRO A 31 -10.815 -6.833 4.809 1.00 0.00 C ATOM 409 CD PRO A 31 -10.472 -5.370 4.767 1.00 0.00 C ATOM 0 HA PRO A 31 -8.363 -6.571 2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.148 -8.455 3.580 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.903 -7.776 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.808 -7.013 4.398 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.822 -7.203 5.834 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.366 -4.747 4.792 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.856 -5.077 5.617 1.00 0.00 H new ATOM 417 N PRO A 32 -9.731 -7.775 0.837 1.00 0.00 N ATOM 418 CA PRO A 32 -10.389 -8.166 -0.414 1.00 0.00 C ATOM 419 C PRO A 32 -11.712 -8.884 -0.172 1.00 0.00 C ATOM 420 O PRO A 32 -11.788 -9.814 0.631 1.00 0.00 O ATOM 421 CB PRO A 32 -9.378 -9.113 -1.066 1.00 0.00 C ATOM 422 CG PRO A 32 -8.585 -9.661 0.070 1.00 0.00 C ATOM 423 CD PRO A 32 -8.512 -8.561 1.093 1.00 0.00 C ATOM 0 HA PRO A 32 -10.642 -7.302 -1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.879 -9.908 -1.619 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.741 -8.585 -1.775 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.061 -10.549 0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.588 -9.957 -0.257 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.495 -8.957 2.108 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.612 -7.958 0.971 1.00 0.00 H new ATOM 560 N ILE A 41 -5.789 -14.290 3.967 1.00 0.00 N ATOM 561 CA ILE A 41 -4.741 -13.277 3.990 1.00 0.00 C ATOM 562 C ILE A 41 -3.873 -13.413 5.237 1.00 0.00 C ATOM 563 O ILE A 41 -4.332 -13.889 6.276 1.00 0.00 O ATOM 564 CB ILE A 41 -5.330 -11.855 3.941 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.528 -11.809 2.990 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.267 -10.856 3.510 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.258 -12.448 1.646 1.00 0.00 C ATOM 0 HA ILE A 41 -4.128 -13.438 3.103 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.672 -11.584 4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.373 -12.312 3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.820 -10.770 2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.699 -9.856 3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.441 -10.874 4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.898 -11.122 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.151 -12.379 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.433 -11.930 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.995 -13.496 1.788 1.00 0.00 H new ATOM 579 N ILE A 42 -2.619 -12.990 5.126 1.00 0.00 N ATOM 580 CA ILE A 42 -1.687 -13.061 6.246 1.00 0.00 C ATOM 581 C ILE A 42 -1.036 -11.707 6.505 1.00 0.00 C ATOM 582 O ILE A 42 -0.712 -11.371 7.644 1.00 0.00 O ATOM 583 CB ILE A 42 -0.587 -14.109 5.996 1.00 0.00 C ATOM 584 CG1 ILE A 42 0.029 -13.913 4.609 1.00 0.00 C ATOM 585 CG2 ILE A 42 -1.152 -15.514 6.137 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.171 -14.861 4.316 1.00 0.00 C ATOM 0 H ILE A 42 -2.224 -12.595 4.273 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.266 -13.356 7.121 1.00 0.00 H new ATOM 0 HB ILE A 42 0.196 -13.977 6.743 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.746 -14.046 3.854 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.387 -12.887 4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.362 -16.243 5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.547 -15.648 7.144 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.952 -15.659 5.411 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.559 -14.665 3.316 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.964 -14.713 5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.814 -15.889 4.371 1.00 0.00 H new ATOM 598 N SER A 43 -0.847 -10.933 5.441 1.00 0.00 N ATOM 599 CA SER A 43 -0.232 -9.616 5.554 1.00 0.00 C ATOM 600 C SER A 43 -0.386 -8.832 4.254 1.00 0.00 C ATOM 601 O SER A 43 -0.931 -9.337 3.272 1.00 0.00 O ATOM 602 CB SER A 43 1.250 -9.750 5.909 1.00 0.00 C ATOM 603 OG SER A 43 1.882 -10.727 5.100 1.00 0.00 O ATOM 0 H SER A 43 -1.111 -11.195 4.491 1.00 0.00 H new ATOM 0 HA SER A 43 -0.741 -9.072 6.350 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.747 -8.789 5.779 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.352 -10.022 6.960 1.00 0.00 H new ATOM 0 HG SER A 43 2.829 -10.792 5.345 1.00 0.00 H new ATOM 609 N TYR A 44 0.099 -7.595 4.255 1.00 0.00 N ATOM 610 CA TYR A 44 0.014 -6.739 3.078 1.00 0.00 C ATOM 611 C TYR A 44 1.318 -5.977 2.863 1.00 0.00 C ATOM 612 O TYR A 44 2.093 -5.772 3.798 1.00 0.00 O ATOM 613 CB TYR A 44 -1.148 -5.754 3.221 1.00 0.00 C ATOM 614 CG TYR A 44 -2.504 -6.421 3.282 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.875 -7.186 4.381 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.414 -6.286 2.241 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.112 -7.797 4.441 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.654 -6.893 2.293 1.00 0.00 C ATOM 619 CZ TYR A 44 -4.998 -7.648 3.395 1.00 0.00 C ATOM 620 OH TYR A 44 -6.232 -8.255 3.451 1.00 0.00 O ATOM 0 H TYR A 44 0.555 -7.163 5.058 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.161 -7.374 2.210 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.003 -5.162 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.131 -5.061 2.380 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.184 -7.305 5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.148 -5.696 1.376 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.384 -8.388 5.303 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.350 -6.777 1.475 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.316 -8.749 4.293 1.00 0.00 H new ATOM 630 N THR A 45 1.554 -5.559 1.623 1.00 0.00 N ATOM 631 CA THR A 45 2.763 -4.820 1.283 1.00 0.00 C ATOM 632 C THR A 45 2.430 -3.416 0.792 1.00 0.00 C ATOM 633 O THR A 45 1.854 -3.244 -0.282 1.00 0.00 O ATOM 634 CB THR A 45 3.581 -5.550 0.201 1.00 0.00 C ATOM 635 OG1 THR A 45 3.951 -6.854 0.662 1.00 0.00 O ATOM 636 CG2 THR A 45 4.831 -4.760 -0.157 1.00 0.00 C ATOM 0 H THR A 45 0.923 -5.720 0.838 1.00 0.00 H new ATOM 0 HA THR A 45 3.358 -4.751 2.194 1.00 0.00 H new ATOM 0 HB THR A 45 2.961 -5.643 -0.691 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.144 -7.393 0.801 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.393 -5.295 -0.923 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.545 -3.779 -0.536 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.452 -4.640 0.731 1.00 0.00 H new ATOM 644 N VAL A 46 2.796 -2.414 1.585 1.00 0.00 N ATOM 645 CA VAL A 46 2.537 -1.024 1.229 1.00 0.00 C ATOM 646 C VAL A 46 3.700 -0.433 0.440 1.00 0.00 C ATOM 647 O VAL A 46 4.701 -0.004 1.015 1.00 0.00 O ATOM 648 CB VAL A 46 2.290 -0.161 2.481 1.00 0.00 C ATOM 649 CG1 VAL A 46 2.204 1.311 2.106 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.025 -0.612 3.196 1.00 0.00 C ATOM 0 H VAL A 46 3.273 -2.539 2.478 1.00 0.00 H new ATOM 0 HA VAL A 46 1.640 -1.018 0.609 1.00 0.00 H new ATOM 0 HB VAL A 46 3.131 -0.289 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.029 1.905 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.139 1.623 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.382 1.461 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.865 0.008 4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.172 -0.514 2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.130 -1.654 3.499 1.00 0.00 H new ATOM 660 N VAL A 47 3.562 -0.414 -0.882 1.00 0.00 N ATOM 661 CA VAL A 47 4.600 0.127 -1.752 1.00 0.00 C ATOM 662 C VAL A 47 4.376 1.610 -2.020 1.00 0.00 C ATOM 663 O VAL A 47 3.376 1.999 -2.624 1.00 0.00 O ATOM 664 CB VAL A 47 4.654 -0.624 -3.095 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.761 -0.065 -3.976 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.848 -2.116 -2.864 1.00 0.00 C ATOM 0 H VAL A 47 2.741 -0.767 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 47 5.549 -0.005 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 47 3.704 -0.479 -3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.784 -0.608 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.574 0.991 -4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.720 -0.177 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.884 -2.631 -3.824 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.782 -2.283 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.017 -2.504 -2.275 1.00 0.00 H new ATOM 676 N PHE A 48 5.313 2.436 -1.567 1.00 0.00 N ATOM 677 CA PHE A 48 5.218 3.879 -1.758 1.00 0.00 C ATOM 678 C PHE A 48 6.417 4.404 -2.541 1.00 0.00 C ATOM 679 O PHE A 48 7.548 3.962 -2.337 1.00 0.00 O ATOM 680 CB PHE A 48 5.127 4.589 -0.405 1.00 0.00 C ATOM 681 CG PHE A 48 6.311 4.336 0.485 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.517 3.087 1.047 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.217 5.347 0.758 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.605 2.852 1.867 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.307 5.118 1.577 1.00 0.00 C ATOM 686 CZ PHE A 48 8.501 3.869 2.131 1.00 0.00 C ATOM 0 H PHE A 48 6.147 2.131 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 48 4.314 4.086 -2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.031 5.662 -0.572 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.221 4.264 0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.820 2.288 0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.070 6.326 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.754 1.874 2.301 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.006 5.915 1.783 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.352 3.687 2.770 1.00 0.00 H new ATOM 696 N ARG A 49 6.162 5.351 -3.438 1.00 0.00 N ATOM 697 CA ARG A 49 7.219 5.936 -4.254 1.00 0.00 C ATOM 698 C ARG A 49 6.816 7.320 -4.756 1.00 0.00 C ATOM 699 O ARG A 49 5.649 7.565 -5.060 1.00 0.00 O ATOM 700 CB ARG A 49 7.540 5.025 -5.440 1.00 0.00 C ATOM 701 CG ARG A 49 8.502 5.645 -6.441 1.00 0.00 C ATOM 702 CD ARG A 49 8.487 4.897 -7.765 1.00 0.00 C ATOM 703 NE ARG A 49 7.174 4.941 -8.404 1.00 0.00 N ATOM 704 CZ ARG A 49 6.768 5.941 -9.178 1.00 0.00 C ATOM 705 NH1 ARG A 49 7.567 6.973 -9.409 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.559 5.909 -9.724 1.00 0.00 N ATOM 0 H ARG A 49 5.232 5.730 -3.618 1.00 0.00 H new ATOM 0 HA ARG A 49 8.108 6.039 -3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.967 4.094 -5.067 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.612 4.768 -5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.233 6.688 -6.608 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.511 5.638 -6.029 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.231 5.330 -8.434 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.774 3.859 -7.598 1.00 0.00 H new ATOM 0 HE ARG A 49 6.535 4.162 -8.247 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.497 7.001 -8.992 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.252 7.739 -10.004 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.941 5.116 -9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.247 6.677 -10.318 1.00 0.00 H new ATOM 720 N ASP A 50 7.789 8.220 -4.838 1.00 0.00 N ATOM 721 CA ASP A 50 7.536 9.579 -5.304 1.00 0.00 C ATOM 722 C ASP A 50 7.397 9.616 -6.822 1.00 0.00 C ATOM 723 O ASP A 50 8.364 9.390 -7.550 1.00 0.00 O ATOM 724 CB ASP A 50 8.665 10.511 -4.860 1.00 0.00 C ATOM 725 CG ASP A 50 8.611 11.857 -5.555 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.494 12.318 -5.869 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.686 12.450 -5.785 1.00 0.00 O ATOM 0 H ASP A 50 8.760 8.034 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 50 6.599 9.920 -4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.607 10.659 -3.782 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.625 10.038 -5.065 1.00 0.00 H new ATOM 732 N ILE A 51 6.187 9.901 -7.293 1.00 0.00 N ATOM 733 CA ILE A 51 5.922 9.968 -8.725 1.00 0.00 C ATOM 734 C ILE A 51 6.823 10.994 -9.404 1.00 0.00 C ATOM 735 O ILE A 51 6.905 11.047 -10.630 1.00 0.00 O ATOM 736 CB ILE A 51 4.451 10.325 -9.008 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.092 11.660 -8.352 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.532 9.220 -8.510 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.817 12.273 -8.888 1.00 0.00 C ATOM 0 H ILE A 51 5.376 10.089 -6.704 1.00 0.00 H new ATOM 0 HA ILE A 51 6.132 8.979 -9.132 1.00 0.00 H new ATOM 0 HB ILE A 51 4.318 10.423 -10.085 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.990 11.512 -7.277 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.913 12.361 -8.501 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.496 9.487 -8.717 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.775 8.287 -9.019 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.666 9.092 -7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.625 13.217 -8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.922 12.454 -9.958 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.985 11.591 -8.715 1.00 0.00 H new ATOM 751 N ASN A 52 7.498 11.807 -8.597 1.00 0.00 N ATOM 752 CA ASN A 52 8.394 12.831 -9.120 1.00 0.00 C ATOM 753 C ASN A 52 9.838 12.337 -9.130 1.00 0.00 C ATOM 754 O ASN A 52 10.696 12.909 -9.803 1.00 0.00 O ATOM 755 CB ASN A 52 8.286 14.108 -8.285 1.00 0.00 C ATOM 756 CG ASN A 52 6.896 14.714 -8.332 1.00 0.00 C ATOM 757 OD1 ASN A 52 6.624 15.608 -9.133 1.00 0.00 O ATOM 758 ND2 ASN A 52 6.009 14.228 -7.472 1.00 0.00 N ATOM 0 H ASN A 52 7.441 11.776 -7.579 1.00 0.00 H new ATOM 0 HA ASN A 52 8.096 13.049 -10.146 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.548 13.886 -7.250 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.010 14.838 -8.647 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.058 14.596 -7.458 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.279 13.486 -6.826 1.00 0.00 H new ATOM 765 N SER A 53 10.098 11.272 -8.379 1.00 0.00 N ATOM 766 CA SER A 53 11.438 10.703 -8.298 1.00 0.00 C ATOM 767 C SER A 53 11.435 9.241 -8.736 1.00 0.00 C ATOM 768 O SER A 53 10.388 8.683 -9.063 1.00 0.00 O ATOM 769 CB SER A 53 11.979 10.818 -6.871 1.00 0.00 C ATOM 770 OG SER A 53 12.649 12.051 -6.678 1.00 0.00 O ATOM 0 H SER A 53 9.399 10.786 -7.818 1.00 0.00 H new ATOM 0 HA SER A 53 12.086 11.265 -8.971 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.158 10.731 -6.159 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.663 9.993 -6.670 1.00 0.00 H new ATOM 0 HG SER A 53 12.984 12.101 -5.758 1.00 0.00 H new ATOM 776 N GLN A 54 12.614 8.628 -8.739 1.00 0.00 N ATOM 777 CA GLN A 54 12.748 7.232 -9.137 1.00 0.00 C ATOM 778 C GLN A 54 13.152 6.363 -7.950 1.00 0.00 C ATOM 779 O GLN A 54 13.796 5.329 -8.118 1.00 0.00 O ATOM 780 CB GLN A 54 13.779 7.096 -10.258 1.00 0.00 C ATOM 781 CG GLN A 54 15.133 7.695 -9.915 1.00 0.00 C ATOM 782 CD GLN A 54 16.003 7.913 -11.138 1.00 0.00 C ATOM 783 OE1 GLN A 54 16.788 7.044 -11.518 1.00 0.00 O ATOM 784 NE2 GLN A 54 15.867 9.077 -11.761 1.00 0.00 N ATOM 0 H GLN A 54 13.490 9.076 -8.470 1.00 0.00 H new ATOM 0 HA GLN A 54 11.779 6.890 -9.501 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.908 6.040 -10.496 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.394 7.580 -11.155 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.986 8.647 -9.404 1.00 0.00 H new ATOM 0 HG3 GLN A 54 15.651 7.036 -9.218 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.204 9.768 -11.411 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.426 9.280 -12.590 1.00 0.00 H new ATOM 793 N GLN A 55 12.768 6.792 -6.752 1.00 0.00 N ATOM 794 CA GLN A 55 13.092 6.053 -5.537 1.00 0.00 C ATOM 795 C GLN A 55 11.910 5.202 -5.087 1.00 0.00 C ATOM 796 O GLN A 55 11.020 5.681 -4.385 1.00 0.00 O ATOM 797 CB GLN A 55 13.496 7.018 -4.421 1.00 0.00 C ATOM 798 CG GLN A 55 13.703 6.339 -3.076 1.00 0.00 C ATOM 799 CD GLN A 55 14.853 5.351 -3.092 1.00 0.00 C ATOM 800 OE1 GLN A 55 15.888 5.575 -2.465 1.00 0.00 O ATOM 801 NE2 GLN A 55 14.676 4.249 -3.812 1.00 0.00 N ATOM 0 H GLN A 55 12.233 7.646 -6.597 1.00 0.00 H new ATOM 0 HA GLN A 55 13.930 5.391 -5.756 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.416 7.527 -4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.727 7.784 -4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.891 7.097 -2.316 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.788 5.821 -2.790 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.801 4.104 -4.316 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.415 3.547 -3.861 1.00 0.00 H new ATOM 810 N GLU A 56 11.907 3.937 -5.496 1.00 0.00 N ATOM 811 CA GLU A 56 10.833 3.020 -5.134 1.00 0.00 C ATOM 812 C GLU A 56 11.060 2.437 -3.742 1.00 0.00 C ATOM 813 O GLU A 56 12.186 2.103 -3.372 1.00 0.00 O ATOM 814 CB GLU A 56 10.730 1.890 -6.161 1.00 0.00 C ATOM 815 CG GLU A 56 9.423 1.119 -6.089 1.00 0.00 C ATOM 816 CD GLU A 56 9.419 -0.108 -6.980 1.00 0.00 C ATOM 817 OE1 GLU A 56 10.515 -0.584 -7.340 1.00 0.00 O ATOM 818 OE2 GLU A 56 8.318 -0.593 -7.316 1.00 0.00 O ATOM 0 H GLU A 56 12.636 3.524 -6.078 1.00 0.00 H new ATOM 0 HA GLU A 56 9.899 3.581 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.840 2.309 -7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.559 1.198 -6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.241 0.815 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.602 1.775 -6.377 1.00 0.00 H new ATOM 825 N LEU A 57 9.983 2.320 -2.974 1.00 0.00 N ATOM 826 CA LEU A 57 10.063 1.779 -1.621 1.00 0.00 C ATOM 827 C LEU A 57 8.741 1.136 -1.213 1.00 0.00 C ATOM 828 O LEU A 57 7.708 1.369 -1.839 1.00 0.00 O ATOM 829 CB LEU A 57 10.433 2.884 -0.630 1.00 0.00 C ATOM 830 CG LEU A 57 11.592 3.793 -1.041 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.580 5.075 -0.223 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.921 3.070 -0.883 1.00 0.00 C ATOM 0 H LEU A 57 9.044 2.592 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 57 10.838 1.013 -1.607 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.553 3.504 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.682 2.420 0.324 1.00 0.00 H new ATOM 0 HG LEU A 57 11.468 4.055 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.412 5.710 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.641 5.603 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.679 4.832 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.733 3.733 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.054 2.777 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.929 2.181 -1.514 1.00 0.00 H new ATOM 844 N GLN A 58 8.783 0.329 -0.158 1.00 0.00 N ATOM 845 CA GLN A 58 7.588 -0.346 0.334 1.00 0.00 C ATOM 846 C GLN A 58 7.771 -0.790 1.782 1.00 0.00 C ATOM 847 O GLN A 58 8.866 -0.699 2.335 1.00 0.00 O ATOM 848 CB GLN A 58 7.260 -1.554 -0.544 1.00 0.00 C ATOM 849 CG GLN A 58 8.312 -2.650 -0.488 1.00 0.00 C ATOM 850 CD GLN A 58 8.373 -3.466 -1.765 1.00 0.00 C ATOM 851 OE1 GLN A 58 8.116 -2.955 -2.855 1.00 0.00 O ATOM 852 NE2 GLN A 58 8.715 -4.743 -1.636 1.00 0.00 N ATOM 0 H GLN A 58 9.631 0.127 0.372 1.00 0.00 H new ATOM 0 HA GLN A 58 6.759 0.361 0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.300 -1.967 -0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.147 -1.223 -1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.288 -2.202 -0.300 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.098 -3.311 0.352 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.920 -5.125 -0.713 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.773 -5.341 -2.460 1.00 0.00 H new ATOM 861 N ASN A 59 6.691 -1.270 2.390 1.00 0.00 N ATOM 862 CA ASN A 59 6.732 -1.727 3.774 1.00 0.00 C ATOM 863 C ASN A 59 5.829 -2.940 3.974 1.00 0.00 C ATOM 864 O ASN A 59 5.059 -3.306 3.085 1.00 0.00 O ATOM 865 CB ASN A 59 6.307 -0.600 4.718 1.00 0.00 C ATOM 866 CG ASN A 59 7.412 0.414 4.942 1.00 0.00 C ATOM 867 OD1 ASN A 59 7.217 1.614 4.748 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.581 -0.065 5.352 1.00 0.00 N ATOM 0 H ASN A 59 5.777 -1.353 1.946 1.00 0.00 H new ATOM 0 HA ASN A 59 7.757 -2.018 4.004 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.433 -0.096 4.307 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.008 -1.025 5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.362 0.570 5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.698 -1.067 5.500 1.00 0.00 H new ATOM 875 N ILE A 60 5.929 -3.559 5.145 1.00 0.00 N ATOM 876 CA ILE A 60 5.120 -4.730 5.462 1.00 0.00 C ATOM 877 C ILE A 60 4.487 -4.603 6.843 1.00 0.00 C ATOM 878 O ILE A 60 5.156 -4.248 7.815 1.00 0.00 O ATOM 879 CB ILE A 60 5.955 -6.022 5.408 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.682 -6.131 4.066 1.00 0.00 C ATOM 881 CG2 ILE A 60 5.067 -7.237 5.636 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.591 -7.336 3.966 1.00 0.00 C ATOM 0 H ILE A 60 6.562 -3.269 5.890 1.00 0.00 H new ATOM 0 HA ILE A 60 4.334 -4.784 4.709 1.00 0.00 H new ATOM 0 HB ILE A 60 6.701 -5.987 6.202 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.944 -6.176 3.265 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.271 -5.228 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.672 -8.143 5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.592 -7.162 6.614 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.300 -7.278 4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.073 -7.348 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.352 -7.283 4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.004 -8.246 4.093 1.00 0.00 H new ATOM 894 N THR A 61 3.194 -4.898 6.925 1.00 0.00 N ATOM 895 CA THR A 61 2.470 -4.819 8.188 1.00 0.00 C ATOM 896 C THR A 61 1.356 -5.858 8.249 1.00 0.00 C ATOM 897 O THR A 61 0.671 -6.109 7.257 1.00 0.00 O ATOM 898 CB THR A 61 1.863 -3.419 8.400 1.00 0.00 C ATOM 899 OG1 THR A 61 1.152 -3.377 9.642 1.00 0.00 O ATOM 900 CG2 THR A 61 0.924 -3.057 7.260 1.00 0.00 C ATOM 0 H THR A 61 2.626 -5.194 6.131 1.00 0.00 H new ATOM 0 HA THR A 61 3.192 -5.018 8.980 1.00 0.00 H new ATOM 0 HB THR A 61 2.677 -2.694 8.422 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.771 -2.483 9.770 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.508 -2.064 7.432 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.475 -3.061 6.320 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.115 -3.786 7.210 1.00 0.00 H new ATOM 908 N THR A 62 1.178 -6.459 9.422 1.00 0.00 N ATOM 909 CA THR A 62 0.147 -7.471 9.612 1.00 0.00 C ATOM 910 C THR A 62 -1.224 -6.832 9.796 1.00 0.00 C ATOM 911 O THR A 62 -2.187 -7.501 10.173 1.00 0.00 O ATOM 912 CB THR A 62 0.453 -8.362 10.832 1.00 0.00 C ATOM 913 OG1 THR A 62 0.877 -7.553 11.935 1.00 0.00 O ATOM 914 CG2 THR A 62 1.532 -9.382 10.499 1.00 0.00 C ATOM 0 H THR A 62 1.735 -6.262 10.254 1.00 0.00 H new ATOM 0 HA THR A 62 0.140 -8.087 8.713 1.00 0.00 H new ATOM 0 HB THR A 62 -0.458 -8.896 11.103 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.068 -8.126 12.707 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.732 -10.000 11.375 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.194 -10.015 9.678 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.445 -8.863 10.205 1.00 0.00 H new ATOM 922 N ASP A 63 -1.307 -5.533 9.528 1.00 0.00 N ATOM 923 CA ASP A 63 -2.562 -4.803 9.662 1.00 0.00 C ATOM 924 C ASP A 63 -3.013 -4.246 8.315 1.00 0.00 C ATOM 925 O ASP A 63 -2.218 -4.127 7.382 1.00 0.00 O ATOM 926 CB ASP A 63 -2.410 -3.666 10.673 1.00 0.00 C ATOM 927 CG ASP A 63 -2.659 -4.121 12.098 1.00 0.00 C ATOM 928 OD1 ASP A 63 -1.763 -4.768 12.679 1.00 0.00 O ATOM 929 OD2 ASP A 63 -3.751 -3.832 12.632 1.00 0.00 O ATOM 0 H ASP A 63 -0.520 -4.964 9.217 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.322 -5.498 10.020 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.406 -3.249 10.598 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.107 -2.866 10.423 1.00 0.00 H new ATOM 934 N THR A 64 -4.295 -3.906 8.221 1.00 0.00 N ATOM 935 CA THR A 64 -4.852 -3.363 6.988 1.00 0.00 C ATOM 936 C THR A 64 -4.561 -1.872 6.862 1.00 0.00 C ATOM 937 O THR A 64 -5.203 -1.168 6.083 1.00 0.00 O ATOM 938 CB THR A 64 -6.375 -3.585 6.915 1.00 0.00 C ATOM 939 OG1 THR A 64 -6.932 -3.601 8.235 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.699 -4.891 6.206 1.00 0.00 C ATOM 0 H THR A 64 -4.966 -3.997 8.983 1.00 0.00 H new ATOM 0 HA THR A 64 -4.374 -3.894 6.165 1.00 0.00 H new ATOM 0 HB THR A 64 -6.812 -2.764 6.347 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.900 -3.741 8.180 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.780 -5.025 6.167 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.300 -4.863 5.192 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.250 -5.722 6.750 1.00 0.00 H new ATOM 948 N ARG A 65 -3.588 -1.397 7.633 1.00 0.00 N ATOM 949 CA ARG A 65 -3.212 0.011 7.608 1.00 0.00 C ATOM 950 C ARG A 65 -1.700 0.172 7.737 1.00 0.00 C ATOM 951 O ARG A 65 -0.991 -0.774 8.082 1.00 0.00 O ATOM 952 CB ARG A 65 -3.915 0.769 8.736 1.00 0.00 C ATOM 953 CG ARG A 65 -3.499 0.316 10.126 1.00 0.00 C ATOM 954 CD ARG A 65 -2.307 1.111 10.637 1.00 0.00 C ATOM 955 NE ARG A 65 -1.935 0.726 11.996 1.00 0.00 N ATOM 956 CZ ARG A 65 -1.202 1.487 12.801 1.00 0.00 C ATOM 957 NH1 ARG A 65 -0.765 2.668 12.385 1.00 0.00 N ATOM 958 NH2 ARG A 65 -0.905 1.068 14.024 1.00 0.00 N ATOM 0 H ARG A 65 -3.046 -1.967 8.283 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.524 0.428 6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.706 1.834 8.632 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.993 0.644 8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.337 0.432 10.814 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.248 -0.745 10.105 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.457 0.959 9.972 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.544 2.175 10.613 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.256 -0.177 12.346 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.992 2.994 11.445 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.202 3.251 13.005 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.240 0.160 14.347 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.342 1.653 14.641 1.00 0.00 H new ATOM 972 N PHE A 66 -1.213 1.376 7.458 1.00 0.00 N ATOM 973 CA PHE A 66 0.215 1.662 7.542 1.00 0.00 C ATOM 974 C PHE A 66 0.474 3.164 7.488 1.00 0.00 C ATOM 975 O PHE A 66 -0.361 3.934 7.011 1.00 0.00 O ATOM 976 CB PHE A 66 0.964 0.963 6.405 1.00 0.00 C ATOM 977 CG PHE A 66 2.455 0.958 6.583 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.077 -0.047 7.307 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.235 1.959 6.027 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.449 -0.054 7.472 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.608 1.957 6.189 1.00 0.00 C ATOM 982 CZ PHE A 66 5.215 0.950 6.913 1.00 0.00 C ATOM 0 H PHE A 66 -1.786 2.170 7.172 1.00 0.00 H new ATOM 0 HA PHE A 66 0.580 1.283 8.496 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.612 -0.066 6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.720 1.455 5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.482 -0.834 7.747 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.765 2.750 5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.922 -0.844 8.037 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.205 2.742 5.750 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.287 0.948 7.042 1.00 0.00 H new ATOM 992 N THR A 67 1.637 3.577 7.982 1.00 0.00 N ATOM 993 CA THR A 67 2.006 4.987 7.993 1.00 0.00 C ATOM 994 C THR A 67 3.431 5.186 7.490 1.00 0.00 C ATOM 995 O THR A 67 4.397 4.875 8.189 1.00 0.00 O ATOM 996 CB THR A 67 1.884 5.589 9.405 1.00 0.00 C ATOM 997 OG1 THR A 67 0.523 5.529 9.847 1.00 0.00 O ATOM 998 CG2 THR A 67 2.364 7.032 9.422 1.00 0.00 C ATOM 0 H THR A 67 2.340 2.954 8.380 1.00 0.00 H new ATOM 0 HA THR A 67 1.313 5.500 7.326 1.00 0.00 H new ATOM 0 HB THR A 67 2.511 5.006 10.080 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.471 5.808 10.785 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.268 7.436 10.430 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.409 7.072 9.113 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.760 7.625 8.735 1.00 0.00 H new ATOM 1006 N LEU A 68 3.557 5.706 6.274 1.00 0.00 N ATOM 1007 CA LEU A 68 4.866 5.948 5.677 1.00 0.00 C ATOM 1008 C LEU A 68 5.680 6.919 6.525 1.00 0.00 C ATOM 1009 O LEU A 68 5.172 7.502 7.484 1.00 0.00 O ATOM 1010 CB LEU A 68 4.708 6.499 4.259 1.00 0.00 C ATOM 1011 CG LEU A 68 4.194 5.514 3.209 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.653 4.101 3.533 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.677 5.576 3.117 1.00 0.00 C ATOM 0 H LEU A 68 2.769 5.968 5.682 1.00 0.00 H new ATOM 0 HA LEU A 68 5.399 4.998 5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.027 7.349 4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.675 6.879 3.929 1.00 0.00 H new ATOM 0 HG LEU A 68 4.608 5.796 2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.278 3.414 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.742 4.066 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.268 3.809 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.329 4.868 2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.243 5.321 4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.370 6.584 2.837 1.00 0.00 H new ATOM 1025 N THR A 69 6.949 7.092 6.165 1.00 0.00 N ATOM 1026 CA THR A 69 7.833 7.994 6.891 1.00 0.00 C ATOM 1027 C THR A 69 9.042 8.378 6.045 1.00 0.00 C ATOM 1028 O THR A 69 9.295 7.781 5.000 1.00 0.00 O ATOM 1029 CB THR A 69 8.323 7.362 8.208 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.139 6.218 7.928 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.146 6.950 9.080 1.00 0.00 C ATOM 0 H THR A 69 7.387 6.619 5.375 1.00 0.00 H new ATOM 0 HA THR A 69 7.253 8.888 7.119 1.00 0.00 H new ATOM 0 HB THR A 69 8.912 8.105 8.746 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.448 5.823 8.770 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.516 6.506 10.004 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.542 7.827 9.314 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.536 6.221 8.547 1.00 0.00 H new ATOM 1039 N GLY A 70 9.786 9.380 6.505 1.00 0.00 N ATOM 1040 CA GLY A 70 10.960 9.826 5.778 1.00 0.00 C ATOM 1041 C GLY A 70 10.624 10.339 4.392 1.00 0.00 C ATOM 1042 O GLY A 70 11.315 10.028 3.422 1.00 0.00 O ATOM 0 H GLY A 70 9.596 9.890 7.368 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.456 10.615 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.667 9.001 5.695 1.00 0.00 H new ATOM 1046 N LEU A 71 9.558 11.127 4.298 1.00 0.00 N ATOM 1047 CA LEU A 71 9.129 11.684 3.020 1.00 0.00 C ATOM 1048 C LEU A 71 9.303 13.199 3.001 1.00 0.00 C ATOM 1049 O LEU A 71 9.730 13.799 3.987 1.00 0.00 O ATOM 1050 CB LEU A 71 7.667 11.323 2.748 1.00 0.00 C ATOM 1051 CG LEU A 71 7.216 9.943 3.229 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.699 9.871 3.296 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.764 8.855 2.316 1.00 0.00 C ATOM 0 H LEU A 71 8.975 11.394 5.091 1.00 0.00 H new ATOM 0 HA LEU A 71 9.754 11.255 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.034 12.075 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.492 11.387 1.674 1.00 0.00 H new ATOM 0 HG LEU A 71 7.611 9.781 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.397 8.882 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.329 10.626 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.282 10.054 2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.433 7.880 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.398 9.013 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.853 8.892 2.319 1.00 0.00 H new ATOM 1065 N LYS A 72 8.966 13.814 1.872 1.00 0.00 N ATOM 1066 CA LYS A 72 9.081 15.260 1.723 1.00 0.00 C ATOM 1067 C LYS A 72 7.705 15.917 1.720 1.00 0.00 C ATOM 1068 O LYS A 72 6.740 15.392 1.164 1.00 0.00 O ATOM 1069 CB LYS A 72 9.825 15.603 0.431 1.00 0.00 C ATOM 1070 CG LYS A 72 9.914 17.095 0.158 1.00 0.00 C ATOM 1071 CD LYS A 72 10.230 17.377 -1.301 1.00 0.00 C ATOM 1072 CE LYS A 72 11.680 17.055 -1.630 1.00 0.00 C ATOM 1073 NZ LYS A 72 12.172 17.841 -2.795 1.00 0.00 N ATOM 0 H LYS A 72 8.611 13.333 1.046 1.00 0.00 H new ATOM 0 HA LYS A 72 9.646 15.644 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.833 15.191 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.324 15.118 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.971 17.572 0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.685 17.536 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.572 16.786 -1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.030 18.426 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.304 17.264 -0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.776 15.990 -1.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.164 17.593 -2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.592 17.623 -3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.104 18.857 -2.582 1.00 0.00 H new ATOM 1087 N PRO A 73 7.609 17.095 2.355 1.00 0.00 N ATOM 1088 CA PRO A 73 6.355 17.850 2.437 1.00 0.00 C ATOM 1089 C PRO A 73 5.939 18.431 1.090 1.00 0.00 C ATOM 1090 O PRO A 73 6.779 18.885 0.313 1.00 0.00 O ATOM 1091 CB PRO A 73 6.682 18.973 3.425 1.00 0.00 C ATOM 1092 CG PRO A 73 8.158 19.146 3.327 1.00 0.00 C ATOM 1093 CD PRO A 73 8.717 17.780 3.040 1.00 0.00 C ATOM 0 HA PRO A 73 5.520 17.221 2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.158 19.893 3.166 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.381 18.709 4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.417 19.848 2.534 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.566 19.548 4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.606 17.834 2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.004 17.263 3.956 1.00 0.00 H new ATOM 1101 N ASP A 74 4.638 18.414 0.820 1.00 0.00 N ATOM 1102 CA ASP A 74 4.110 18.940 -0.433 1.00 0.00 C ATOM 1103 C ASP A 74 4.673 18.173 -1.625 1.00 0.00 C ATOM 1104 O ASP A 74 5.157 18.768 -2.589 1.00 0.00 O ATOM 1105 CB ASP A 74 4.441 20.428 -0.565 1.00 0.00 C ATOM 1106 CG ASP A 74 3.965 21.011 -1.881 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.835 20.686 -2.301 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.723 21.795 -2.491 1.00 0.00 O ATOM 0 H ASP A 74 3.930 18.041 1.453 1.00 0.00 H new ATOM 0 HA ASP A 74 3.027 18.816 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.981 20.974 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.519 20.567 -0.478 1.00 0.00 H new ATOM 1113 N THR A 75 4.609 16.847 -1.553 1.00 0.00 N ATOM 1114 CA THR A 75 5.114 15.998 -2.624 1.00 0.00 C ATOM 1115 C THR A 75 4.265 14.741 -2.777 1.00 0.00 C ATOM 1116 O THR A 75 4.080 13.984 -1.823 1.00 0.00 O ATOM 1117 CB THR A 75 6.578 15.588 -2.373 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.444 16.707 -2.592 1.00 0.00 O ATOM 1119 CG2 THR A 75 6.982 14.440 -3.286 1.00 0.00 C ATOM 0 H THR A 75 4.212 16.338 -0.763 1.00 0.00 H new ATOM 0 HA THR A 75 5.060 16.583 -3.542 1.00 0.00 H new ATOM 0 HB THR A 75 6.668 15.257 -1.338 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.906 17.506 -2.775 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.019 14.168 -3.091 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.339 13.580 -3.096 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.877 14.748 -4.326 1.00 0.00 H new ATOM 1127 N THR A 76 3.750 14.522 -3.983 1.00 0.00 N ATOM 1128 CA THR A 76 2.920 13.357 -4.260 1.00 0.00 C ATOM 1129 C THR A 76 3.722 12.067 -4.130 1.00 0.00 C ATOM 1130 O THR A 76 4.800 11.934 -4.710 1.00 0.00 O ATOM 1131 CB THR A 76 2.307 13.427 -5.671 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.651 14.686 -5.858 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.314 12.295 -5.886 1.00 0.00 C ATOM 0 H THR A 76 3.894 15.137 -4.784 1.00 0.00 H new ATOM 0 HA THR A 76 2.117 13.358 -3.523 1.00 0.00 H new ATOM 0 HB THR A 76 3.112 13.326 -6.399 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.265 14.723 -6.758 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.894 12.365 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.823 11.338 -5.772 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.512 12.370 -5.151 1.00 0.00 H new ATOM 1141 N TYR A 77 3.190 11.120 -3.367 1.00 0.00 N ATOM 1142 CA TYR A 77 3.858 9.840 -3.160 1.00 0.00 C ATOM 1143 C TYR A 77 2.947 8.680 -3.551 1.00 0.00 C ATOM 1144 O TYR A 77 1.987 8.365 -2.848 1.00 0.00 O ATOM 1145 CB TYR A 77 4.287 9.695 -1.699 1.00 0.00 C ATOM 1146 CG TYR A 77 5.647 10.286 -1.405 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.810 9.611 -1.755 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.770 11.520 -0.778 1.00 0.00 C ATOM 1149 CE1 TYR A 77 8.055 10.146 -1.489 1.00 0.00 C ATOM 1150 CE2 TYR A 77 7.011 12.064 -0.509 1.00 0.00 C ATOM 1151 CZ TYR A 77 8.151 11.373 -0.866 1.00 0.00 C ATOM 1152 OH TYR A 77 9.389 11.911 -0.599 1.00 0.00 O ATOM 0 H TYR A 77 2.298 11.214 -2.881 1.00 0.00 H new ATOM 0 HA TYR A 77 4.743 9.814 -3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.545 10.177 -1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.295 8.638 -1.435 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.739 8.651 -2.244 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.880 12.063 -0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.948 9.607 -1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 77 7.089 13.025 -0.022 1.00 0.00 H new ATOM 0 HH TYR A 77 9.421 12.835 -0.924 1.00 0.00 H new ATOM 1162 N ASP A 78 3.256 8.049 -4.678 1.00 0.00 N ATOM 1163 CA ASP A 78 2.468 6.922 -5.164 1.00 0.00 C ATOM 1164 C ASP A 78 2.506 5.764 -4.172 1.00 0.00 C ATOM 1165 O ASP A 78 3.477 5.007 -4.124 1.00 0.00 O ATOM 1166 CB ASP A 78 2.986 6.460 -6.527 1.00 0.00 C ATOM 1167 CG ASP A 78 2.435 5.106 -6.927 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.712 4.118 -6.215 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.725 5.034 -7.952 1.00 0.00 O ATOM 0 H ASP A 78 4.046 8.298 -5.272 1.00 0.00 H new ATOM 0 HA ASP A 78 1.435 7.252 -5.270 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.716 7.197 -7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.075 6.413 -6.502 1.00 0.00 H new ATOM 1174 N ILE A 79 1.446 5.633 -3.383 1.00 0.00 N ATOM 1175 CA ILE A 79 1.359 4.567 -2.392 1.00 0.00 C ATOM 1176 C ILE A 79 0.277 3.559 -2.764 1.00 0.00 C ATOM 1177 O ILE A 79 -0.858 3.931 -3.063 1.00 0.00 O ATOM 1178 CB ILE A 79 1.063 5.126 -0.988 1.00 0.00 C ATOM 1179 CG1 ILE A 79 2.090 6.197 -0.616 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.064 4.004 0.039 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.539 7.272 0.295 1.00 0.00 C ATOM 0 H ILE A 79 0.635 6.251 -3.410 1.00 0.00 H new ATOM 0 HA ILE A 79 2.328 4.069 -2.378 1.00 0.00 H new ATOM 0 HB ILE A 79 0.074 5.584 -0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.940 5.720 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.465 6.662 -1.528 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.853 4.414 1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.299 3.272 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.041 3.520 0.048 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.322 7.997 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.707 7.775 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.190 6.819 1.223 1.00 0.00 H new ATOM 1193 N LYS A 80 0.635 2.279 -2.741 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.305 1.215 -3.071 1.00 0.00 C ATOM 1195 C LYS A 80 -0.271 0.112 -2.019 1.00 0.00 C ATOM 1196 O LYS A 80 0.407 0.235 -0.998 1.00 0.00 O ATOM 1197 CB LYS A 80 0.018 0.631 -4.448 1.00 0.00 C ATOM 1198 CG LYS A 80 1.506 0.565 -4.747 1.00 0.00 C ATOM 1199 CD LYS A 80 1.783 0.704 -6.235 1.00 0.00 C ATOM 1200 CE LYS A 80 1.500 -0.592 -6.978 1.00 0.00 C ATOM 1201 NZ LYS A 80 1.952 -0.528 -8.396 1.00 0.00 N ATOM 0 H LYS A 80 1.570 1.954 -2.497 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.307 1.643 -3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.402 -0.372 -4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.471 1.234 -5.213 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.022 1.357 -4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.908 -0.382 -4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.167 1.503 -6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.823 0.992 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.003 -1.417 -6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.431 -0.803 -6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.742 -1.430 -8.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.454 0.243 -8.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.977 -0.352 -8.426 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.004 -0.967 -2.274 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.055 -2.093 -1.349 1.00 0.00 C ATOM 1217 C VAL A 81 -1.430 -3.382 -2.073 1.00 0.00 C ATOM 1218 O VAL A 81 -1.966 -3.350 -3.180 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.066 -1.842 -0.214 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.446 -2.349 -0.606 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.594 -2.499 1.074 1.00 0.00 C ATOM 0 H VAL A 81 -1.571 -1.085 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.058 -2.197 -0.921 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.135 -0.768 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.147 -2.163 0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.784 -1.828 -1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.397 -3.420 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.320 -2.312 1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.495 -3.573 0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.628 -2.083 1.362 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.144 -4.514 -1.439 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.450 -5.815 -2.023 1.00 0.00 C ATOM 1233 C ARG A 82 -1.543 -6.887 -0.942 1.00 0.00 C ATOM 1234 O ARG A 82 -0.667 -6.996 -0.084 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.383 -6.201 -3.049 1.00 0.00 C ATOM 1236 CG ARG A 82 1.014 -6.316 -2.460 1.00 0.00 C ATOM 1237 CD ARG A 82 1.996 -6.897 -3.466 1.00 0.00 C ATOM 1238 NE ARG A 82 3.354 -6.960 -2.932 1.00 0.00 N ATOM 1239 CZ ARG A 82 4.443 -6.963 -3.692 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.334 -6.908 -5.012 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.645 -7.022 -3.132 1.00 0.00 N ATOM 0 H ARG A 82 -0.701 -4.557 -0.521 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.416 -5.743 -2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.656 -7.153 -3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.372 -5.458 -3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.358 -5.332 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.985 -6.947 -1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.672 -7.898 -3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.990 -6.289 -4.371 1.00 0.00 H new ATOM 0 HE ARG A 82 3.472 -7.004 -1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.412 -6.863 -5.446 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.172 -6.910 -5.593 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.733 -7.065 -2.117 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.481 -7.024 -3.717 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.611 -7.677 -0.989 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.818 -8.741 -0.015 1.00 0.00 C ATOM 1257 C ALA A 83 -1.875 -9.912 -0.272 1.00 0.00 C ATOM 1258 O ALA A 83 -1.472 -10.158 -1.409 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.265 -9.211 -0.046 1.00 0.00 C ATOM 0 H ALA A 83 -3.346 -7.600 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.598 -8.341 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.405 -10.006 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.924 -8.376 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.504 -9.588 -1.040 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.527 -10.629 0.790 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.630 -11.774 0.678 1.00 0.00 C ATOM 1267 C TRP A 84 -1.265 -13.024 1.278 1.00 0.00 C ATOM 1268 O TRP A 84 -1.894 -12.967 2.335 1.00 0.00 O ATOM 1269 CB TRP A 84 0.698 -11.477 1.376 1.00 0.00 C ATOM 1270 CG TRP A 84 1.576 -10.537 0.606 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.358 -9.207 0.385 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.811 -10.857 -0.045 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.382 -8.681 -0.365 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.286 -9.672 -0.641 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.561 -12.027 -0.181 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.477 -9.628 -1.361 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.743 -11.982 -0.896 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.192 -10.789 -1.478 1.00 0.00 C ATOM 0 H TRP A 84 -1.852 -10.438 1.738 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.444 -11.956 -0.380 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.496 -11.052 2.359 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.233 -12.413 1.537 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.506 -8.651 0.747 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.457 -7.710 -0.667 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.223 -12.951 0.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.824 -8.710 -1.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.330 -12.881 -1.008 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.120 -10.786 -2.030 1.00 0.00 H new ATOM 1289 N THR A 85 -1.097 -14.153 0.596 1.00 0.00 N ATOM 1290 CA THR A 85 -1.655 -15.416 1.062 1.00 0.00 C ATOM 1291 C THR A 85 -0.552 -16.390 1.461 1.00 0.00 C ATOM 1292 O THR A 85 0.601 -16.236 1.058 1.00 0.00 O ATOM 1293 CB THR A 85 -2.537 -16.072 -0.017 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.760 -16.342 -1.189 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.711 -15.173 -0.377 1.00 0.00 C ATOM 0 H THR A 85 -0.579 -14.218 -0.280 1.00 0.00 H new ATOM 0 HA THR A 85 -2.268 -15.188 1.934 1.00 0.00 H new ATOM 0 HB THR A 85 -2.926 -17.008 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.328 -16.761 -1.869 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.319 -15.657 -1.141 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.318 -14.994 0.511 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.338 -14.223 -0.759 1.00 0.00 H new ATOM 1303 N SER A 86 -0.914 -17.393 2.255 1.00 0.00 N ATOM 1304 CA SER A 86 0.046 -18.391 2.711 1.00 0.00 C ATOM 1305 C SER A 86 0.933 -18.858 1.561 1.00 0.00 C ATOM 1306 O SER A 86 2.069 -19.284 1.769 1.00 0.00 O ATOM 1307 CB SER A 86 -0.682 -19.587 3.327 1.00 0.00 C ATOM 1308 OG SER A 86 0.168 -20.718 3.402 1.00 0.00 O ATOM 0 H SER A 86 -1.865 -17.536 2.596 1.00 0.00 H new ATOM 0 HA SER A 86 0.678 -17.930 3.470 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.035 -19.327 4.325 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.562 -19.828 2.730 1.00 0.00 H new ATOM 0 HG SER A 86 -0.320 -21.468 3.801 1.00 0.00 H new ATOM 1314 N LYS A 87 0.405 -18.776 0.344 1.00 0.00 N ATOM 1315 CA LYS A 87 1.146 -19.188 -0.842 1.00 0.00 C ATOM 1316 C LYS A 87 2.189 -18.143 -1.222 1.00 0.00 C ATOM 1317 O LYS A 87 3.388 -18.416 -1.212 1.00 0.00 O ATOM 1318 CB LYS A 87 0.188 -19.418 -2.013 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.650 -20.677 -1.876 1.00 0.00 C ATOM 1320 CD LYS A 87 -1.963 -20.399 -1.163 1.00 0.00 C ATOM 1321 CE LYS A 87 -2.954 -21.537 -1.356 1.00 0.00 C ATOM 1322 NZ LYS A 87 -4.363 -21.056 -1.326 1.00 0.00 N ATOM 0 H LYS A 87 -0.534 -18.427 0.154 1.00 0.00 H new ATOM 0 HA LYS A 87 1.660 -20.122 -0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.476 -18.558 -2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.764 -19.474 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.852 -21.090 -2.864 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.088 -21.431 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.777 -20.254 -0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.394 -19.472 -1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.759 -22.031 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.808 -22.282 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.008 -21.861 -1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.557 -20.607 -0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.510 -20.364 -2.088 1.00 0.00 H new ATOM 1336 N GLY A 88 1.724 -16.943 -1.557 1.00 0.00 N ATOM 1337 CA GLY A 88 2.630 -15.874 -1.934 1.00 0.00 C ATOM 1338 C GLY A 88 1.943 -14.524 -1.993 1.00 0.00 C ATOM 1339 O GLY A 88 1.316 -14.097 -1.023 1.00 0.00 O ATOM 0 H GLY A 88 0.735 -16.692 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.451 -15.829 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.067 -16.099 -2.907 1.00 0.00 H new ATOM 1343 N SER A 89 2.061 -13.851 -3.132 1.00 0.00 N ATOM 1344 CA SER A 89 1.451 -12.538 -3.311 1.00 0.00 C ATOM 1345 C SER A 89 0.564 -12.517 -4.552 1.00 0.00 C ATOM 1346 O SER A 89 0.509 -13.487 -5.307 1.00 0.00 O ATOM 1347 CB SER A 89 2.531 -11.461 -3.424 1.00 0.00 C ATOM 1348 OG SER A 89 1.955 -10.175 -3.571 1.00 0.00 O ATOM 0 H SER A 89 2.573 -14.193 -3.945 1.00 0.00 H new ATOM 0 HA SER A 89 0.832 -12.330 -2.439 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.163 -11.481 -2.536 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.174 -11.675 -4.278 1.00 0.00 H new ATOM 0 HG SER A 89 2.087 -9.661 -2.747 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.131 -11.401 -4.757 1.00 0.00 N ATOM 1355 CA GLY A 90 -1.007 -11.273 -5.907 1.00 0.00 C ATOM 1356 C GLY A 90 -0.805 -9.965 -6.646 1.00 0.00 C ATOM 1357 O GLY A 90 0.318 -9.491 -6.818 1.00 0.00 O ATOM 0 H GLY A 90 -0.103 -10.584 -4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.829 -12.104 -6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.044 -11.346 -5.580 1.00 0.00 H new ATOM 1361 N PRO A 91 -1.913 -9.360 -7.099 1.00 0.00 N ATOM 1362 CA PRO A 91 -1.879 -8.091 -7.832 1.00 0.00 C ATOM 1363 C PRO A 91 -1.485 -6.918 -6.941 1.00 0.00 C ATOM 1364 O PRO A 91 -1.243 -7.086 -5.745 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.319 -7.927 -8.325 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.141 -8.709 -7.359 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.285 -9.868 -6.930 1.00 0.00 C ATOM 0 HA PRO A 91 -1.139 -8.102 -8.632 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.616 -6.878 -8.339 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.435 -8.305 -9.341 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.426 -8.096 -6.504 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.064 -9.056 -7.824 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.483 -10.153 -5.897 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.465 -10.750 -7.545 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.422 -5.729 -7.531 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.057 -4.526 -6.790 1.00 0.00 C ATOM 1377 C LEU A 92 -2.156 -3.473 -6.886 1.00 0.00 C ATOM 1378 O LEU A 92 -2.500 -3.018 -7.977 1.00 0.00 O ATOM 1379 CB LEU A 92 0.259 -3.956 -7.322 1.00 0.00 C ATOM 1380 CG LEU A 92 1.533 -4.468 -6.649 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.726 -4.322 -7.582 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.782 -3.726 -5.344 1.00 0.00 C ATOM 0 H LEU A 92 -1.619 -5.572 -8.519 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.931 -4.798 -5.742 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.322 -4.175 -8.388 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.229 -2.871 -7.221 1.00 0.00 H new ATOM 0 HG LEU A 92 1.401 -5.526 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.623 -4.692 -7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.550 -4.898 -8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.860 -3.271 -7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.693 -4.103 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.893 -2.661 -5.547 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.939 -3.882 -4.670 1.00 0.00 H new ATOM 1394 N SER A 93 -2.702 -3.088 -5.737 1.00 0.00 N ATOM 1395 CA SER A 93 -3.763 -2.090 -5.691 1.00 0.00 C ATOM 1396 C SER A 93 -3.333 -0.807 -6.395 1.00 0.00 C ATOM 1397 O SER A 93 -2.146 -0.497 -6.506 1.00 0.00 O ATOM 1398 CB SER A 93 -4.144 -1.786 -4.240 1.00 0.00 C ATOM 1399 OG SER A 93 -3.300 -0.790 -3.689 1.00 0.00 O ATOM 0 H SER A 93 -2.427 -3.453 -4.825 1.00 0.00 H new ATOM 0 HA SER A 93 -4.632 -2.495 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.181 -1.454 -4.195 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.075 -2.696 -3.644 1.00 0.00 H new ATOM 0 HG SER A 93 -3.517 0.079 -4.086 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.320 -0.040 -6.882 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.069 1.222 -7.583 1.00 0.00 C ATOM 1407 C PRO A 94 -3.552 2.311 -6.649 1.00 0.00 C ATOM 1408 O PRO A 94 -4.266 2.767 -5.756 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.446 1.601 -8.135 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.416 0.930 -7.225 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.757 -0.347 -6.785 1.00 0.00 C ATOM 0 HA PRO A 94 -3.301 1.117 -8.349 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.588 2.682 -8.138 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.568 1.261 -9.163 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.650 1.563 -6.369 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.356 0.727 -7.738 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.043 -0.617 -5.768 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.033 -1.184 -7.427 1.00 0.00 H new ATOM 1419 N SER A 95 -2.307 2.725 -6.863 1.00 0.00 N ATOM 1420 CA SER A 95 -1.693 3.759 -6.037 1.00 0.00 C ATOM 1421 C SER A 95 -2.674 4.898 -5.776 1.00 0.00 C ATOM 1422 O SER A 95 -3.604 5.122 -6.552 1.00 0.00 O ATOM 1423 CB SER A 95 -0.433 4.300 -6.715 1.00 0.00 C ATOM 1424 OG SER A 95 0.017 5.486 -6.082 1.00 0.00 O ATOM 0 H SER A 95 -1.704 2.361 -7.601 1.00 0.00 H new ATOM 0 HA SER A 95 -1.419 3.313 -5.081 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.353 3.546 -6.683 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.639 4.501 -7.766 1.00 0.00 H new ATOM 0 HG SER A 95 0.097 6.202 -6.747 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.458 5.616 -4.679 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.321 6.733 -4.315 1.00 0.00 C ATOM 1432 C ILE A 96 -2.614 8.067 -4.530 1.00 0.00 C ATOM 1433 O ILE A 96 -3.257 9.091 -4.756 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.777 6.637 -2.847 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.596 6.269 -1.946 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -4.896 5.616 -2.705 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -2.860 6.507 -0.476 1.00 0.00 C ATOM 0 H ILE A 96 -1.693 5.444 -4.027 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.196 6.680 -4.963 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.158 7.610 -2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.348 5.218 -2.097 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.724 6.849 -2.249 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.207 5.560 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.744 5.917 -3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.540 4.639 -3.031 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.980 6.224 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.078 7.562 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.712 5.906 -0.157 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.287 8.045 -4.461 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.492 9.253 -4.649 1.00 0.00 C ATOM 1451 C GLN A 97 -0.800 10.281 -3.566 1.00 0.00 C ATOM 1452 O GLN A 97 -1.069 11.445 -3.860 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.760 9.854 -6.030 1.00 0.00 C ATOM 1454 CG GLN A 97 0.179 9.340 -7.110 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.479 9.274 -8.474 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.977 10.278 -8.984 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.486 8.089 -9.072 1.00 0.00 N ATOM 0 H GLN A 97 -0.740 7.204 -4.276 1.00 0.00 H new ATOM 0 HA GLN A 97 0.561 8.980 -4.577 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.788 9.635 -6.319 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.671 10.939 -5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.054 9.988 -7.164 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.535 8.347 -6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.061 7.283 -8.613 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.916 7.984 -9.991 1.00 0.00 H new ATOM 1466 N SER A 98 -0.758 9.842 -2.312 1.00 0.00 N ATOM 1467 CA SER A 98 -1.036 10.724 -1.184 1.00 0.00 C ATOM 1468 C SER A 98 0.086 11.741 -0.999 1.00 0.00 C ATOM 1469 O SER A 98 1.158 11.412 -0.492 1.00 0.00 O ATOM 1470 CB SER A 98 -1.216 9.907 0.097 1.00 0.00 C ATOM 1471 OG SER A 98 -1.960 10.630 1.062 1.00 0.00 O ATOM 0 H SER A 98 -0.534 8.882 -2.051 1.00 0.00 H new ATOM 0 HA SER A 98 -1.959 11.263 -1.396 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.725 8.971 -0.133 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.240 9.646 0.506 1.00 0.00 H new ATOM 0 HG SER A 98 -1.680 10.359 1.961 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.169 12.977 -1.416 1.00 0.00 N ATOM 1478 CA ARG A 99 0.819 14.042 -1.298 1.00 0.00 C ATOM 1479 C ARG A 99 0.861 14.590 0.125 1.00 0.00 C ATOM 1480 O ARG A 99 -0.086 15.228 0.586 1.00 0.00 O ATOM 1481 CB ARG A 99 0.503 15.171 -2.281 1.00 0.00 C ATOM 1482 CG ARG A 99 1.364 16.408 -2.085 1.00 0.00 C ATOM 1483 CD ARG A 99 1.063 17.468 -3.133 1.00 0.00 C ATOM 1484 NE ARG A 99 -0.072 18.305 -2.755 1.00 0.00 N ATOM 1485 CZ ARG A 99 -0.434 19.397 -3.419 1.00 0.00 C ATOM 1486 NH1 ARG A 99 0.246 19.781 -4.490 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -1.480 20.106 -3.013 1.00 0.00 N ATOM 0 H ARG A 99 -1.051 13.265 -1.839 1.00 0.00 H new ATOM 0 HA ARG A 99 1.797 13.624 -1.537 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.636 14.803 -3.298 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.546 15.449 -2.177 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.191 16.819 -1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.417 16.132 -2.137 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.943 18.095 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.855 16.985 -4.088 1.00 0.00 H new ATOM 0 HE ARG A 99 -0.617 18.036 -1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.049 19.238 -4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.034 20.620 -4.998 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.007 19.812 -2.190 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.757 20.944 -3.524 1.00 0.00 H new ATOM 1501 N THR A 100 1.967 14.336 0.819 1.00 0.00 N ATOM 1502 CA THR A 100 2.132 14.801 2.190 1.00 0.00 C ATOM 1503 C THR A 100 1.619 16.228 2.353 1.00 0.00 C ATOM 1504 O THR A 100 1.635 17.014 1.406 1.00 0.00 O ATOM 1505 CB THR A 100 3.608 14.746 2.628 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.394 15.623 1.813 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.150 13.329 2.526 1.00 0.00 C ATOM 0 H THR A 100 2.761 13.811 0.453 1.00 0.00 H new ATOM 0 HA THR A 100 1.547 14.133 2.822 1.00 0.00 H new ATOM 0 HB THR A 100 3.668 15.067 3.668 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.127 15.119 1.403 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.194 13.315 2.840 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.568 12.670 3.170 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.077 12.985 1.494 1.00 0.00 H new ATOM 1515 N MET A 101 1.163 16.554 3.558 1.00 0.00 N ATOM 1516 CA MET A 101 0.646 17.887 3.843 1.00 0.00 C ATOM 1517 C MET A 101 1.738 18.940 3.680 1.00 0.00 C ATOM 1518 O MET A 101 2.882 18.751 4.094 1.00 0.00 O ATOM 1519 CB MET A 101 0.075 17.943 5.262 1.00 0.00 C ATOM 1520 CG MET A 101 1.094 18.360 6.311 1.00 0.00 C ATOM 1521 SD MET A 101 0.355 18.602 7.938 1.00 0.00 S ATOM 1522 CE MET A 101 -0.553 17.070 8.129 1.00 0.00 C ATOM 0 H MET A 101 1.141 15.914 4.352 1.00 0.00 H new ATOM 0 HA MET A 101 -0.150 18.101 3.130 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.761 18.642 5.281 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.323 16.963 5.524 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.872 17.600 6.379 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.578 19.284 5.995 1.00 0.00 H new ATOM 0 HE1 MET A 101 -1.619 17.260 8.001 1.00 0.00 H new ATOM 0 HE2 MET A 101 -0.220 16.353 7.378 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.374 16.663 9.124 1.00 0.00 H new ATOM 1532 N PRO A 102 1.379 20.076 3.063 1.00 0.00 N ATOM 1533 CA PRO A 102 2.315 21.181 2.832 1.00 0.00 C ATOM 1534 C PRO A 102 2.704 21.891 4.124 1.00 0.00 C ATOM 1535 O PRO A 102 1.942 22.699 4.654 1.00 0.00 O ATOM 1536 CB PRO A 102 1.529 22.125 1.919 1.00 0.00 C ATOM 1537 CG PRO A 102 0.098 21.834 2.214 1.00 0.00 C ATOM 1538 CD PRO A 102 0.033 20.369 2.544 1.00 0.00 C ATOM 0 HA PRO A 102 3.256 20.836 2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.771 23.168 2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.761 21.945 0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.259 22.438 3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.533 22.069 1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.738 20.158 3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.198 19.769 1.664 1.00 0.00 H new ATOM 1546 N VAL A 103 3.896 21.583 4.627 1.00 0.00 N ATOM 1547 CA VAL A 103 4.387 22.194 5.856 1.00 0.00 C ATOM 1548 C VAL A 103 3.908 23.635 5.984 1.00 0.00 C ATOM 1549 O VAL A 103 4.288 24.499 5.193 1.00 0.00 O ATOM 1550 CB VAL A 103 5.926 22.168 5.919 1.00 0.00 C ATOM 1551 CG1 VAL A 103 6.523 22.609 4.592 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.427 23.046 7.056 1.00 0.00 C ATOM 0 H VAL A 103 4.539 20.914 4.202 1.00 0.00 H new ATOM 0 HA VAL A 103 3.987 21.607 6.683 1.00 0.00 H new ATOM 0 HB VAL A 103 6.247 21.144 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.611 22.584 4.656 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.191 21.936 3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.196 23.624 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.516 23.016 7.086 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.096 24.072 6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.028 22.680 8.002 1.00 0.00 H new