USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 711 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 24 GLN : amide:sc= 0 K(o=-6.7,f=-4.8) USER MOD Set 1.2: A 33 HIS : no HD1:sc= -6.68! C(o=-6.7!,f=-3.9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0.832 (180deg=0.527) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -170:sc= -1.54! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -6.86! C(o=-6.9!,f=-3.4!) USER MOD Single : A 12 ASN : amide:sc= 0.35 X(o=0.35,f=0) USER MOD Single : A 14 ASN : amide:sc= -2.36! C(o=-2.4!,f=-4.7!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.63! K(o=-2.6!,f=-1.7) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 32 GLN : amide:sc=-0.00808 X(o=-0.0081,f=-0.26) USER MOD Single : A 34 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-0.2) USER MOD Single : A 37 MET CE :methyl -161:sc= -0.0385 (180deg=-0.604) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 78:sc= -0.6 USER MOD Single : A 56 ASN : amide:sc= -0.0457 X(o=-0.046,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.28) USER MOD Single : A 66 MET CE :methyl -174:sc=-0.00126 (180deg=-0.0469) USER MOD Single : A 72 THR OG1 : rot 27:sc= -5.2! USER MOD Single : A 76 ASN : amide:sc= -6.07! C(o=-6.1!,f=-5.2!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.620 21.886 5.312 1.00 0.00 N ATOM 2 CA MET A 1 0.787 21.433 5.504 1.00 0.00 C ATOM 3 C MET A 1 1.050 20.202 4.634 1.00 0.00 C ATOM 4 O MET A 1 1.341 19.131 5.129 1.00 0.00 O ATOM 5 CB MET A 1 1.013 21.077 6.975 1.00 0.00 C ATOM 6 CG MET A 1 1.425 22.332 7.745 1.00 0.00 C ATOM 7 SD MET A 1 -0.040 23.341 8.080 1.00 0.00 S ATOM 8 CE MET A 1 0.832 24.840 8.596 1.00 0.00 C ATOM 0 H1 MET A 1 -0.895 22.507 6.099 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.697 22.408 4.416 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.250 21.059 5.287 1.00 0.00 H new ATOM 0 HA MET A 1 1.469 22.233 5.216 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.103 20.657 7.403 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.787 20.314 7.061 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.911 22.055 8.681 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.150 22.905 7.167 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.107 25.612 8.855 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.452 24.619 9.465 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.463 25.193 7.780 1.00 0.00 H new ATOM 20 N SER A 2 0.952 20.346 3.341 1.00 0.00 N ATOM 21 CA SER A 2 1.198 19.183 2.441 1.00 0.00 C ATOM 22 C SER A 2 0.026 18.204 2.534 1.00 0.00 C ATOM 23 O SER A 2 -1.055 18.553 2.965 1.00 0.00 O ATOM 24 CB SER A 2 2.484 18.473 2.866 1.00 0.00 C ATOM 25 OG SER A 2 3.284 18.224 1.718 1.00 0.00 O ATOM 0 H SER A 2 0.712 21.218 2.869 1.00 0.00 H new ATOM 0 HA SER A 2 1.296 19.536 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.033 19.087 3.580 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.246 17.535 3.368 1.00 0.00 H new ATOM 0 HG SER A 2 4.110 17.770 1.987 1.00 0.00 H new ATOM 31 N SER A 3 0.233 16.980 2.132 1.00 0.00 N ATOM 32 CA SER A 3 -0.868 15.978 2.196 1.00 0.00 C ATOM 33 C SER A 3 -0.316 14.589 1.871 1.00 0.00 C ATOM 34 O SER A 3 0.016 14.298 0.739 1.00 0.00 O ATOM 35 CB SER A 3 -1.949 16.339 1.172 1.00 0.00 C ATOM 36 OG SER A 3 -1.709 17.650 0.677 1.00 0.00 O ATOM 0 H SER A 3 1.117 16.631 1.762 1.00 0.00 H new ATOM 0 HA SER A 3 -1.296 15.978 3.199 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.943 15.621 0.352 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.935 16.287 1.634 1.00 0.00 H new ATOM 0 HG SER A 3 -2.478 17.945 0.146 1.00 0.00 H new ATOM 42 N LEU A 4 -0.220 13.719 2.845 1.00 0.00 N ATOM 43 CA LEU A 4 0.301 12.368 2.556 1.00 0.00 C ATOM 44 C LEU A 4 -0.177 11.358 3.595 1.00 0.00 C ATOM 45 O LEU A 4 -0.588 11.702 4.685 1.00 0.00 O ATOM 46 CB LEU A 4 1.823 12.395 2.522 1.00 0.00 C ATOM 47 CG LEU A 4 2.383 13.275 3.649 1.00 0.00 C ATOM 48 CD1 LEU A 4 2.150 14.754 3.327 1.00 0.00 C ATOM 49 CD2 LEU A 4 1.697 12.923 4.971 1.00 0.00 C ATOM 0 H LEU A 4 -0.480 13.892 3.816 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.079 12.059 1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.211 11.381 2.621 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.162 12.773 1.558 1.00 0.00 H new ATOM 0 HG LEU A 4 3.454 13.094 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.551 15.369 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 4 2.652 15.007 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.081 14.940 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 4 2.098 13.550 5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 4 0.624 13.093 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 4 1.880 11.875 5.208 1.00 0.00 H new ATOM 61 N VAL A 5 -0.118 10.102 3.244 1.00 0.00 N ATOM 62 CA VAL A 5 -0.563 9.024 4.181 1.00 0.00 C ATOM 63 C VAL A 5 0.649 8.175 4.560 1.00 0.00 C ATOM 64 O VAL A 5 1.716 8.323 4.004 1.00 0.00 O ATOM 65 CB VAL A 5 -1.599 8.154 3.465 1.00 0.00 C ATOM 66 CG1 VAL A 5 -1.871 6.881 4.266 1.00 0.00 C ATOM 67 CG2 VAL A 5 -2.900 8.942 3.310 1.00 0.00 C ATOM 0 H VAL A 5 0.222 9.771 2.341 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.003 9.453 5.081 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.211 7.878 2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.610 6.273 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.946 6.315 4.374 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.251 7.146 5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.640 8.325 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.276 9.221 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.713 9.842 2.725 1.00 0.00 H new ATOM 77 N TYR A 6 0.507 7.289 5.500 1.00 0.00 N ATOM 78 CA TYR A 6 1.668 6.443 5.879 1.00 0.00 C ATOM 79 C TYR A 6 1.168 5.070 6.319 1.00 0.00 C ATOM 80 O TYR A 6 0.185 4.950 7.007 1.00 0.00 O ATOM 81 CB TYR A 6 2.430 7.109 7.022 1.00 0.00 C ATOM 82 CG TYR A 6 3.398 6.125 7.633 1.00 0.00 C ATOM 83 CD1 TYR A 6 4.586 5.805 6.965 1.00 0.00 C ATOM 84 CD2 TYR A 6 3.107 5.532 8.867 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.484 4.893 7.531 1.00 0.00 C ATOM 86 CE2 TYR A 6 4.005 4.620 9.434 1.00 0.00 C ATOM 87 CZ TYR A 6 5.193 4.299 8.766 1.00 0.00 C ATOM 88 OH TYR A 6 6.078 3.400 9.324 1.00 0.00 O ATOM 0 H TYR A 6 -0.354 7.114 6.019 1.00 0.00 H new ATOM 0 HA TYR A 6 2.335 6.327 5.024 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.969 7.981 6.652 1.00 0.00 H new ATOM 0 HB3 TYR A 6 1.731 7.463 7.779 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.810 6.262 6.012 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.190 5.778 9.382 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.401 4.647 7.016 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.781 4.164 10.387 1.00 0.00 H new ATOM 0 HH TYR A 6 5.725 3.083 10.181 1.00 0.00 H new ATOM 98 N ILE A 7 1.841 4.037 5.918 1.00 0.00 N ATOM 99 CA ILE A 7 1.420 2.660 6.296 1.00 0.00 C ATOM 100 C ILE A 7 2.625 1.747 6.105 1.00 0.00 C ATOM 101 O ILE A 7 3.533 2.082 5.381 1.00 0.00 O ATOM 102 CB ILE A 7 0.290 2.207 5.367 1.00 0.00 C ATOM 103 CG1 ILE A 7 0.860 2.006 3.956 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.810 3.274 5.331 1.00 0.00 C ATOM 105 CD1 ILE A 7 -0.270 2.021 2.925 1.00 0.00 C ATOM 0 H ILE A 7 2.677 4.085 5.336 1.00 0.00 H new ATOM 0 HA ILE A 7 1.069 2.629 7.327 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.135 1.272 5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.579 2.794 3.730 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.398 1.059 3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.612 2.948 4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.206 3.422 6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.395 4.212 4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.146 1.878 1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.973 1.217 3.144 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.789 2.979 2.968 1.00 0.00 H new ATOM 117 N ALA A 8 2.667 0.605 6.726 1.00 0.00 N ATOM 118 CA ALA A 8 3.855 -0.266 6.512 1.00 0.00 C ATOM 119 C ALA A 8 3.583 -1.680 7.021 1.00 0.00 C ATOM 120 O ALA A 8 2.643 -1.930 7.749 1.00 0.00 O ATOM 121 CB ALA A 8 5.065 0.331 7.234 1.00 0.00 C ATOM 0 H ALA A 8 1.952 0.242 7.357 1.00 0.00 H new ATOM 0 HA ALA A 8 4.064 -0.322 5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.934 -0.308 7.077 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.270 1.326 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.854 0.400 8.301 1.00 0.00 H new ATOM 127 N PHE A 9 4.403 -2.608 6.624 1.00 0.00 N ATOM 128 CA PHE A 9 4.224 -4.012 7.050 1.00 0.00 C ATOM 129 C PHE A 9 5.600 -4.674 7.125 1.00 0.00 C ATOM 130 O PHE A 9 6.564 -4.187 6.566 1.00 0.00 O ATOM 131 CB PHE A 9 3.379 -4.746 6.007 1.00 0.00 C ATOM 132 CG PHE A 9 1.920 -4.720 6.399 1.00 0.00 C ATOM 133 CD1 PHE A 9 1.199 -3.520 6.341 1.00 0.00 C ATOM 134 CD2 PHE A 9 1.286 -5.897 6.813 1.00 0.00 C ATOM 135 CE1 PHE A 9 -0.155 -3.500 6.697 1.00 0.00 C ATOM 136 CE2 PHE A 9 -0.067 -5.876 7.169 1.00 0.00 C ATOM 137 CZ PHE A 9 -0.788 -4.677 7.112 1.00 0.00 C ATOM 0 H PHE A 9 5.202 -2.446 6.012 1.00 0.00 H new ATOM 0 HA PHE A 9 3.730 -4.051 8.021 1.00 0.00 H new ATOM 0 HB2 PHE A 9 3.508 -4.279 5.031 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.719 -5.777 5.914 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.687 -2.611 6.022 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.841 -6.822 6.858 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.711 -2.575 6.651 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.555 -6.785 7.488 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.832 -4.661 7.388 1.00 0.00 H new ATOM 147 N GLN A 10 5.701 -5.786 7.790 1.00 0.00 N ATOM 148 CA GLN A 10 7.013 -6.483 7.870 1.00 0.00 C ATOM 149 C GLN A 10 6.818 -7.918 7.396 1.00 0.00 C ATOM 150 O GLN A 10 6.666 -8.819 8.189 1.00 0.00 O ATOM 151 CB GLN A 10 7.524 -6.486 9.313 1.00 0.00 C ATOM 152 CG GLN A 10 9.057 -6.545 9.319 1.00 0.00 C ATOM 153 CD GLN A 10 9.537 -7.831 8.636 1.00 0.00 C ATOM 154 OE1 GLN A 10 10.046 -8.723 9.285 1.00 0.00 O ATOM 155 NE2 GLN A 10 9.397 -7.962 7.345 1.00 0.00 N ATOM 0 H GLN A 10 4.934 -6.244 8.282 1.00 0.00 H new ATOM 0 HA GLN A 10 7.744 -5.969 7.245 1.00 0.00 H new ATOM 0 HB2 GLN A 10 7.183 -5.590 9.832 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.116 -7.341 9.852 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.464 -5.676 8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.426 -6.509 10.344 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.970 -7.213 6.800 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.715 -8.813 6.881 1.00 0.00 H new ATOM 164 N ASP A 11 6.814 -8.136 6.110 1.00 0.00 N ATOM 165 CA ASP A 11 6.612 -9.519 5.592 1.00 0.00 C ATOM 166 C ASP A 11 7.928 -10.085 5.059 1.00 0.00 C ATOM 167 O ASP A 11 8.896 -9.375 4.872 1.00 0.00 O ATOM 168 CB ASP A 11 5.579 -9.488 4.464 1.00 0.00 C ATOM 169 CG ASP A 11 5.949 -8.388 3.467 1.00 0.00 C ATOM 170 OD1 ASP A 11 7.101 -7.987 3.458 1.00 0.00 O ATOM 171 OD2 ASP A 11 5.074 -7.967 2.728 1.00 0.00 O ATOM 0 H ASP A 11 6.942 -7.418 5.397 1.00 0.00 H new ATOM 0 HA ASP A 11 6.259 -10.154 6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.545 -10.454 3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.585 -9.306 4.871 1.00 0.00 H new ATOM 176 N ASN A 12 7.964 -11.367 4.814 1.00 0.00 N ATOM 177 CA ASN A 12 9.206 -12.003 4.293 1.00 0.00 C ATOM 178 C ASN A 12 9.060 -12.254 2.792 1.00 0.00 C ATOM 179 O ASN A 12 9.909 -12.857 2.167 1.00 0.00 O ATOM 180 CB ASN A 12 9.430 -13.335 5.012 1.00 0.00 C ATOM 181 CG ASN A 12 10.916 -13.509 5.325 1.00 0.00 C ATOM 182 OD1 ASN A 12 11.277 -13.888 6.422 1.00 0.00 O ATOM 183 ND2 ASN A 12 11.801 -13.248 4.402 1.00 0.00 N ATOM 0 H ASN A 12 7.180 -12.005 4.954 1.00 0.00 H new ATOM 0 HA ASN A 12 10.056 -11.343 4.469 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.849 -13.364 5.934 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.081 -14.159 4.389 1.00 0.00 H new ATOM 0 HD21 ASN A 12 12.795 -13.362 4.601 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.499 -12.930 3.481 1.00 0.00 H new ATOM 190 N ASP A 13 7.991 -11.792 2.204 1.00 0.00 N ATOM 191 CA ASP A 13 7.799 -12.001 0.748 1.00 0.00 C ATOM 192 C ASP A 13 8.633 -10.977 -0.014 1.00 0.00 C ATOM 193 O ASP A 13 8.276 -9.819 -0.111 1.00 0.00 O ATOM 194 CB ASP A 13 6.323 -11.814 0.393 1.00 0.00 C ATOM 195 CG ASP A 13 5.531 -13.051 0.820 1.00 0.00 C ATOM 196 OD1 ASP A 13 6.148 -14.079 1.042 1.00 0.00 O ATOM 197 OD2 ASP A 13 4.319 -12.948 0.917 1.00 0.00 O ATOM 0 H ASP A 13 7.244 -11.279 2.672 1.00 0.00 H new ATOM 0 HA ASP A 13 8.111 -13.010 0.478 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.929 -10.928 0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.214 -11.653 -0.679 1.00 0.00 H new ATOM 202 N ASN A 14 9.736 -11.391 -0.567 1.00 0.00 N ATOM 203 CA ASN A 14 10.578 -10.436 -1.333 1.00 0.00 C ATOM 204 C ASN A 14 9.809 -9.992 -2.575 1.00 0.00 C ATOM 205 O ASN A 14 10.213 -9.085 -3.276 1.00 0.00 O ATOM 206 CB ASN A 14 11.882 -11.120 -1.750 1.00 0.00 C ATOM 207 CG ASN A 14 12.648 -10.215 -2.717 1.00 0.00 C ATOM 208 OD1 ASN A 14 12.256 -10.052 -3.855 1.00 0.00 O ATOM 209 ND2 ASN A 14 13.734 -9.617 -2.309 1.00 0.00 N ATOM 0 H ASN A 14 10.090 -12.347 -0.522 1.00 0.00 H new ATOM 0 HA ASN A 14 10.815 -9.570 -0.715 1.00 0.00 H new ATOM 0 HB2 ASN A 14 12.492 -11.330 -0.871 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.667 -12.077 -2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.253 -9.013 -2.946 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.063 -9.754 -1.353 1.00 0.00 H new ATOM 216 N ALA A 15 8.694 -10.617 -2.849 1.00 0.00 N ATOM 217 CA ALA A 15 7.902 -10.217 -4.040 1.00 0.00 C ATOM 218 C ALA A 15 7.524 -8.744 -3.897 1.00 0.00 C ATOM 219 O ALA A 15 7.570 -7.979 -4.842 1.00 0.00 O ATOM 220 CB ALA A 15 6.634 -11.069 -4.129 1.00 0.00 C ATOM 0 H ALA A 15 8.302 -11.383 -2.300 1.00 0.00 H new ATOM 0 HA ALA A 15 8.489 -10.367 -4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.057 -10.772 -5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.908 -12.121 -4.215 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.033 -10.922 -3.231 1.00 0.00 H new ATOM 226 N ARG A 16 7.163 -8.340 -2.710 1.00 0.00 N ATOM 227 CA ARG A 16 6.796 -6.918 -2.485 1.00 0.00 C ATOM 228 C ARG A 16 8.038 -6.052 -2.707 1.00 0.00 C ATOM 229 O ARG A 16 7.957 -4.956 -3.225 1.00 0.00 O ATOM 230 CB ARG A 16 6.284 -6.751 -1.048 1.00 0.00 C ATOM 231 CG ARG A 16 6.432 -5.293 -0.602 1.00 0.00 C ATOM 232 CD ARG A 16 5.212 -4.884 0.226 1.00 0.00 C ATOM 233 NE ARG A 16 4.742 -3.538 -0.213 1.00 0.00 N ATOM 234 CZ ARG A 16 3.564 -3.104 0.148 1.00 0.00 C ATOM 235 NH1 ARG A 16 2.791 -3.845 0.897 1.00 0.00 N ATOM 236 NH2 ARG A 16 3.158 -1.926 -0.240 1.00 0.00 N ATOM 0 H ARG A 16 7.107 -8.937 -1.885 1.00 0.00 H new ATOM 0 HA ARG A 16 6.012 -6.612 -3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.238 -7.053 -0.989 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.843 -7.403 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.341 -5.173 -0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.528 -4.644 -1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.414 -5.617 0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.468 -4.864 1.285 1.00 0.00 H new ATOM 0 HE ARG A 16 5.342 -2.955 -0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.107 -4.766 1.202 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.872 -3.503 1.177 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.760 -1.346 -0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.238 -1.585 0.041 1.00 0.00 H new ATOM 250 N TYR A 17 9.187 -6.538 -2.322 1.00 0.00 N ATOM 251 CA TYR A 17 10.432 -5.746 -2.516 1.00 0.00 C ATOM 252 C TYR A 17 10.577 -5.405 -3.999 1.00 0.00 C ATOM 253 O TYR A 17 10.843 -4.277 -4.364 1.00 0.00 O ATOM 254 CB TYR A 17 11.640 -6.565 -2.056 1.00 0.00 C ATOM 255 CG TYR A 17 12.658 -5.646 -1.425 1.00 0.00 C ATOM 256 CD1 TYR A 17 12.810 -4.340 -1.902 1.00 0.00 C ATOM 257 CD2 TYR A 17 13.450 -6.100 -0.362 1.00 0.00 C ATOM 258 CE1 TYR A 17 13.753 -3.486 -1.319 1.00 0.00 C ATOM 259 CE2 TYR A 17 14.393 -5.246 0.222 1.00 0.00 C ATOM 260 CZ TYR A 17 14.545 -3.939 -0.257 1.00 0.00 C ATOM 261 OH TYR A 17 15.475 -3.097 0.319 1.00 0.00 O ATOM 0 H TYR A 17 9.316 -7.449 -1.882 1.00 0.00 H new ATOM 0 HA TYR A 17 10.380 -4.828 -1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 17 11.327 -7.325 -1.340 1.00 0.00 H new ATOM 0 HB3 TYR A 17 12.082 -7.089 -2.904 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.199 -3.990 -2.721 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.333 -7.108 0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.870 -2.478 -1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.003 -5.595 1.042 1.00 0.00 H new ATOM 0 HH TYR A 17 15.939 -3.568 1.043 1.00 0.00 H new ATOM 271 N VAL A 18 10.391 -6.369 -4.860 1.00 0.00 N ATOM 272 CA VAL A 18 10.504 -6.092 -6.318 1.00 0.00 C ATOM 273 C VAL A 18 9.537 -4.966 -6.676 1.00 0.00 C ATOM 274 O VAL A 18 9.928 -3.935 -7.186 1.00 0.00 O ATOM 275 CB VAL A 18 10.138 -7.346 -7.113 1.00 0.00 C ATOM 276 CG1 VAL A 18 10.381 -7.094 -8.602 1.00 0.00 C ATOM 277 CG2 VAL A 18 11.006 -8.516 -6.647 1.00 0.00 C ATOM 0 H VAL A 18 10.166 -7.334 -4.616 1.00 0.00 H new ATOM 0 HA VAL A 18 11.526 -5.802 -6.561 1.00 0.00 H new ATOM 0 HB VAL A 18 9.087 -7.585 -6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.120 -7.987 -9.169 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.764 -6.260 -8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.432 -6.855 -8.764 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.746 -9.410 -7.213 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.057 -8.277 -6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.835 -8.696 -5.586 1.00 0.00 H new ATOM 287 N VAL A 19 8.276 -5.151 -6.399 1.00 0.00 N ATOM 288 CA VAL A 19 7.284 -4.086 -6.710 1.00 0.00 C ATOM 289 C VAL A 19 7.723 -2.789 -6.028 1.00 0.00 C ATOM 290 O VAL A 19 7.335 -1.706 -6.416 1.00 0.00 O ATOM 291 CB VAL A 19 5.912 -4.501 -6.179 1.00 0.00 C ATOM 292 CG1 VAL A 19 4.852 -3.512 -6.668 1.00 0.00 C ATOM 293 CG2 VAL A 19 5.573 -5.904 -6.688 1.00 0.00 C ATOM 0 H VAL A 19 7.891 -5.993 -5.971 1.00 0.00 H new ATOM 0 HA VAL A 19 7.224 -3.936 -7.788 1.00 0.00 H new ATOM 0 HB VAL A 19 5.930 -4.502 -5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.874 -3.809 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.093 -2.512 -6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.833 -3.509 -7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.595 -6.202 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.556 -5.901 -7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.327 -6.610 -6.339 1.00 0.00 H new ATOM 303 N GLU A 20 8.534 -2.899 -5.012 1.00 0.00 N ATOM 304 CA GLU A 20 9.009 -1.685 -4.293 1.00 0.00 C ATOM 305 C GLU A 20 10.066 -0.972 -5.140 1.00 0.00 C ATOM 306 O GLU A 20 10.126 0.240 -5.184 1.00 0.00 O ATOM 307 CB GLU A 20 9.623 -2.096 -2.954 1.00 0.00 C ATOM 308 CG GLU A 20 9.630 -0.897 -2.004 1.00 0.00 C ATOM 309 CD GLU A 20 9.421 -1.380 -0.568 1.00 0.00 C ATOM 310 OE1 GLU A 20 8.815 -2.426 -0.397 1.00 0.00 O ATOM 311 OE2 GLU A 20 9.870 -0.698 0.338 1.00 0.00 O ATOM 0 H GLU A 20 8.890 -3.783 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 20 8.169 -1.013 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.053 -2.916 -2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.639 -2.460 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.576 -0.362 -2.084 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.843 -0.196 -2.281 1.00 0.00 H new ATOM 318 N ALA A 21 10.902 -1.711 -5.812 1.00 0.00 N ATOM 319 CA ALA A 21 11.947 -1.064 -6.652 1.00 0.00 C ATOM 320 C ALA A 21 11.289 -0.439 -7.881 1.00 0.00 C ATOM 321 O ALA A 21 11.772 0.531 -8.430 1.00 0.00 O ATOM 322 CB ALA A 21 12.974 -2.110 -7.093 1.00 0.00 C ATOM 0 H ALA A 21 10.908 -2.731 -5.817 1.00 0.00 H new ATOM 0 HA ALA A 21 12.452 -0.289 -6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 21 13.738 -1.634 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.441 -2.555 -6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.476 -2.888 -7.672 1.00 0.00 H new ATOM 328 N ILE A 22 10.185 -0.982 -8.315 1.00 0.00 N ATOM 329 CA ILE A 22 9.496 -0.411 -9.503 1.00 0.00 C ATOM 330 C ILE A 22 8.751 0.858 -9.087 1.00 0.00 C ATOM 331 O ILE A 22 8.754 1.850 -9.790 1.00 0.00 O ATOM 332 CB ILE A 22 8.504 -1.434 -10.061 1.00 0.00 C ATOM 333 CG1 ILE A 22 9.265 -2.682 -10.517 1.00 0.00 C ATOM 334 CG2 ILE A 22 7.759 -0.829 -11.253 1.00 0.00 C ATOM 335 CD1 ILE A 22 10.123 -2.342 -11.738 1.00 0.00 C ATOM 0 H ILE A 22 9.732 -1.795 -7.898 1.00 0.00 H new ATOM 0 HA ILE A 22 10.229 -0.168 -10.273 1.00 0.00 H new ATOM 0 HB ILE A 22 7.787 -1.705 -9.286 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.895 -3.052 -9.708 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.563 -3.479 -10.763 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.053 -1.559 -11.649 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.218 0.061 -10.931 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.474 -0.558 -12.029 1.00 0.00 H new ATOM 0 HD11 ILE A 22 10.664 -3.231 -12.061 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.482 -1.993 -12.547 1.00 0.00 H new ATOM 0 HD13 ILE A 22 10.835 -1.559 -11.476 1.00 0.00 H new ATOM 347 N ILE A 23 8.118 0.842 -7.944 1.00 0.00 N ATOM 348 CA ILE A 23 7.384 2.055 -7.489 1.00 0.00 C ATOM 349 C ILE A 23 8.380 3.207 -7.353 1.00 0.00 C ATOM 350 O ILE A 23 8.142 4.304 -7.819 1.00 0.00 O ATOM 351 CB ILE A 23 6.687 1.764 -6.147 1.00 0.00 C ATOM 352 CG1 ILE A 23 5.405 2.592 -6.047 1.00 0.00 C ATOM 353 CG2 ILE A 23 7.605 2.111 -4.969 1.00 0.00 C ATOM 354 CD1 ILE A 23 4.327 1.772 -5.336 1.00 0.00 C ATOM 0 H ILE A 23 8.078 0.044 -7.309 1.00 0.00 H new ATOM 0 HA ILE A 23 6.618 2.332 -8.214 1.00 0.00 H new ATOM 0 HB ILE A 23 6.450 0.701 -6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.596 3.515 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.064 2.877 -7.042 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.091 1.897 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.515 1.514 -5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.863 3.169 -5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.412 2.360 -5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.130 0.862 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.670 1.510 -4.335 1.00 0.00 H new ATOM 366 N GLN A 24 9.504 2.963 -6.737 1.00 0.00 N ATOM 367 CA GLN A 24 10.515 4.044 -6.602 1.00 0.00 C ATOM 368 C GLN A 24 11.059 4.360 -7.990 1.00 0.00 C ATOM 369 O GLN A 24 11.396 5.487 -8.296 1.00 0.00 O ATOM 370 CB GLN A 24 11.654 3.577 -5.694 1.00 0.00 C ATOM 371 CG GLN A 24 11.702 4.456 -4.443 1.00 0.00 C ATOM 372 CD GLN A 24 13.157 4.684 -4.034 1.00 0.00 C ATOM 373 OE1 GLN A 24 13.769 3.832 -3.420 1.00 0.00 O ATOM 374 NE2 GLN A 24 13.743 5.806 -4.351 1.00 0.00 N ATOM 0 H GLN A 24 9.763 2.067 -6.324 1.00 0.00 H new ATOM 0 HA GLN A 24 10.061 4.932 -6.163 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.505 2.534 -5.413 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.604 3.632 -6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.214 5.411 -4.638 1.00 0.00 H new ATOM 0 HG3 GLN A 24 11.155 3.979 -3.630 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.230 6.521 -4.866 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.714 5.968 -4.084 1.00 0.00 H new ATOM 383 N ASP A 25 11.126 3.373 -8.844 1.00 0.00 N ATOM 384 CA ASP A 25 11.623 3.625 -10.221 1.00 0.00 C ATOM 385 C ASP A 25 10.879 4.837 -10.772 1.00 0.00 C ATOM 386 O ASP A 25 11.398 5.596 -11.567 1.00 0.00 O ATOM 387 CB ASP A 25 11.350 2.404 -11.103 1.00 0.00 C ATOM 388 CG ASP A 25 12.661 1.919 -11.725 1.00 0.00 C ATOM 389 OD1 ASP A 25 13.609 1.722 -10.982 1.00 0.00 O ATOM 390 OD2 ASP A 25 12.695 1.751 -12.932 1.00 0.00 O ATOM 0 H ASP A 25 10.859 2.409 -8.646 1.00 0.00 H new ATOM 0 HA ASP A 25 12.697 3.810 -10.210 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.900 1.608 -10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.637 2.660 -11.886 1.00 0.00 H new ATOM 395 N ASN A 26 9.664 5.032 -10.333 1.00 0.00 N ATOM 396 CA ASN A 26 8.878 6.203 -10.803 1.00 0.00 C ATOM 397 C ASN A 26 9.334 7.441 -10.028 1.00 0.00 C ATOM 398 O ASN A 26 9.521 7.382 -8.829 1.00 0.00 O ATOM 399 CB ASN A 26 7.390 5.957 -10.542 1.00 0.00 C ATOM 400 CG ASN A 26 7.085 4.464 -10.677 1.00 0.00 C ATOM 401 OD1 ASN A 26 6.210 3.948 -10.011 1.00 0.00 O ATOM 402 ND2 ASN A 26 7.775 3.743 -11.518 1.00 0.00 N ATOM 0 H ASN A 26 9.183 4.427 -9.667 1.00 0.00 H new ATOM 0 HA ASN A 26 9.034 6.353 -11.871 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.123 6.304 -9.544 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.787 6.527 -11.249 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.579 2.747 -11.616 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.510 4.176 -12.078 1.00 0.00 H new ATOM 409 N PRO A 27 9.503 8.523 -10.737 1.00 0.00 N ATOM 410 CA PRO A 27 9.948 9.757 -10.051 1.00 0.00 C ATOM 411 C PRO A 27 8.745 10.486 -9.446 1.00 0.00 C ATOM 412 O PRO A 27 8.607 11.686 -9.574 1.00 0.00 O ATOM 413 CB PRO A 27 10.606 10.619 -11.135 1.00 0.00 C ATOM 414 CG PRO A 27 10.533 9.837 -12.463 1.00 0.00 C ATOM 415 CD PRO A 27 9.800 8.519 -12.185 1.00 0.00 C ATOM 0 HA PRO A 27 10.639 9.542 -9.236 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.093 11.577 -11.226 1.00 0.00 H new ATOM 0 HB3 PRO A 27 11.642 10.836 -10.875 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.005 10.417 -13.220 1.00 0.00 H new ATOM 0 HG3 PRO A 27 11.534 9.644 -12.850 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.884 8.449 -12.772 1.00 0.00 H new ATOM 0 HD3 PRO A 27 10.418 7.663 -12.455 1.00 0.00 H new ATOM 423 N HIS A 28 7.868 9.770 -8.794 1.00 0.00 N ATOM 424 CA HIS A 28 6.677 10.424 -8.193 1.00 0.00 C ATOM 425 C HIS A 28 6.247 9.658 -6.941 1.00 0.00 C ATOM 426 O HIS A 28 6.000 10.236 -5.901 1.00 0.00 O ATOM 427 CB HIS A 28 5.542 10.403 -9.211 1.00 0.00 C ATOM 428 CG HIS A 28 4.581 11.521 -8.917 1.00 0.00 C ATOM 429 ND1 HIS A 28 3.614 11.422 -7.929 1.00 0.00 N ATOM 430 CD2 HIS A 28 4.425 12.767 -9.472 1.00 0.00 C ATOM 431 CE1 HIS A 28 2.926 12.579 -7.919 1.00 0.00 C ATOM 432 NE2 HIS A 28 3.379 13.433 -8.840 1.00 0.00 N ATOM 0 H HIS A 28 7.928 8.761 -8.653 1.00 0.00 H new ATOM 0 HA HIS A 28 6.918 11.451 -7.920 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.942 10.509 -10.219 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.024 9.445 -9.173 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.023 13.169 -10.276 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.107 12.791 -7.248 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.033 14.372 -9.038 1.00 0.00 H new ATOM 440 N ALA A 29 6.151 8.360 -7.034 1.00 0.00 N ATOM 441 CA ALA A 29 5.733 7.558 -5.849 1.00 0.00 C ATOM 442 C ALA A 29 6.733 7.767 -4.710 1.00 0.00 C ATOM 443 O ALA A 29 7.923 7.867 -4.929 1.00 0.00 O ATOM 444 CB ALA A 29 5.691 6.076 -6.229 1.00 0.00 C ATOM 0 H ALA A 29 6.344 7.821 -7.878 1.00 0.00 H new ATOM 0 HA ALA A 29 4.744 7.879 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.386 5.487 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.977 5.928 -7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.681 5.756 -6.555 1.00 0.00 H new ATOM 450 N VAL A 30 6.261 7.835 -3.493 1.00 0.00 N ATOM 451 CA VAL A 30 7.193 8.038 -2.348 1.00 0.00 C ATOM 452 C VAL A 30 7.453 6.694 -1.660 1.00 0.00 C ATOM 453 O VAL A 30 6.561 5.883 -1.506 1.00 0.00 O ATOM 454 CB VAL A 30 6.569 9.015 -1.350 1.00 0.00 C ATOM 455 CG1 VAL A 30 5.178 8.520 -0.952 1.00 0.00 C ATOM 456 CG2 VAL A 30 7.452 9.105 -0.104 1.00 0.00 C ATOM 0 H VAL A 30 5.275 7.759 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 30 8.136 8.447 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 30 6.487 10.000 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.734 9.216 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.547 8.455 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.260 7.535 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.008 9.801 0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.534 8.120 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.444 9.458 -0.386 1.00 0.00 H new ATOM 466 N VAL A 31 8.668 6.450 -1.250 1.00 0.00 N ATOM 467 CA VAL A 31 8.981 5.155 -0.577 1.00 0.00 C ATOM 468 C VAL A 31 10.145 5.355 0.397 1.00 0.00 C ATOM 469 O VAL A 31 10.833 6.356 0.360 1.00 0.00 O ATOM 470 CB VAL A 31 9.372 4.106 -1.624 1.00 0.00 C ATOM 471 CG1 VAL A 31 8.879 2.730 -1.174 1.00 0.00 C ATOM 472 CG2 VAL A 31 8.734 4.454 -2.973 1.00 0.00 C ATOM 0 H VAL A 31 9.456 7.089 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 31 8.101 4.812 -0.033 1.00 0.00 H new ATOM 0 HB VAL A 31 10.457 4.093 -1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.156 1.983 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.334 2.476 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.795 2.749 -1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.016 3.705 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.649 4.471 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.083 5.434 -3.298 1.00 0.00 H new ATOM 482 N GLN A 32 10.372 4.410 1.268 1.00 0.00 N ATOM 483 CA GLN A 32 11.492 4.550 2.241 1.00 0.00 C ATOM 484 C GLN A 32 11.784 3.193 2.888 1.00 0.00 C ATOM 485 O GLN A 32 11.331 2.904 3.977 1.00 0.00 O ATOM 486 CB GLN A 32 11.103 5.558 3.324 1.00 0.00 C ATOM 487 CG GLN A 32 11.798 6.894 3.052 1.00 0.00 C ATOM 488 CD GLN A 32 10.893 8.042 3.505 1.00 0.00 C ATOM 489 OE1 GLN A 32 9.764 8.149 3.069 1.00 0.00 O ATOM 490 NE2 GLN A 32 11.344 8.909 4.368 1.00 0.00 N ATOM 0 H GLN A 32 9.831 3.549 1.348 1.00 0.00 H new ATOM 0 HA GLN A 32 12.382 4.901 1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.022 5.695 3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.388 5.181 4.306 1.00 0.00 H new ATOM 0 HG2 GLN A 32 12.749 6.936 3.582 1.00 0.00 H new ATOM 0 HG3 GLN A 32 12.021 6.990 1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 32 12.292 8.819 4.734 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.749 9.677 4.677 1.00 0.00 H new ATOM 499 N HIS A 33 12.540 2.360 2.226 1.00 0.00 N ATOM 500 CA HIS A 33 12.861 1.025 2.804 1.00 0.00 C ATOM 501 C HIS A 33 14.372 0.921 3.028 1.00 0.00 C ATOM 502 O HIS A 33 15.159 1.408 2.242 1.00 0.00 O ATOM 503 CB HIS A 33 12.414 -0.073 1.835 1.00 0.00 C ATOM 504 CG HIS A 33 12.569 0.410 0.418 1.00 0.00 C ATOM 505 ND1 HIS A 33 13.772 0.319 -0.265 1.00 0.00 N ATOM 506 CD2 HIS A 33 11.683 0.988 -0.457 1.00 0.00 C ATOM 507 CE1 HIS A 33 13.578 0.831 -1.495 1.00 0.00 C ATOM 508 NE2 HIS A 33 12.323 1.253 -1.664 1.00 0.00 N ATOM 0 H HIS A 33 12.949 2.547 1.310 1.00 0.00 H new ATOM 0 HA HIS A 33 12.340 0.904 3.754 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.009 -0.973 1.990 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.375 -0.341 2.027 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.647 1.204 -0.241 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.345 0.893 -2.253 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.920 1.678 -2.499 1.00 0.00 H new ATOM 516 N HIS A 34 14.784 0.291 4.094 1.00 0.00 N ATOM 517 CA HIS A 34 16.242 0.161 4.361 1.00 0.00 C ATOM 518 C HIS A 34 16.481 -0.979 5.355 1.00 0.00 C ATOM 519 O HIS A 34 17.183 -1.924 5.052 1.00 0.00 O ATOM 520 CB HIS A 34 16.770 1.473 4.939 1.00 0.00 C ATOM 521 CG HIS A 34 17.680 2.131 3.939 1.00 0.00 C ATOM 522 ND1 HIS A 34 19.061 2.060 4.036 1.00 0.00 N ATOM 523 CD2 HIS A 34 17.421 2.877 2.816 1.00 0.00 C ATOM 524 CE1 HIS A 34 19.576 2.746 3.000 1.00 0.00 C ATOM 525 NE2 HIS A 34 18.620 3.264 2.224 1.00 0.00 N ATOM 0 H HIS A 34 14.174 -0.138 4.790 1.00 0.00 H new ATOM 0 HA HIS A 34 16.766 -0.060 3.431 1.00 0.00 H new ATOM 0 HB2 HIS A 34 15.940 2.136 5.182 1.00 0.00 H new ATOM 0 HB3 HIS A 34 17.309 1.283 5.867 1.00 0.00 H new ATOM 0 HD2 HIS A 34 16.437 3.126 2.448 1.00 0.00 H new ATOM 0 HE1 HIS A 34 20.634 2.864 2.818 1.00 0.00 H new ATOM 0 HE2 HIS A 34 18.742 3.823 1.379 1.00 0.00 H new ATOM 533 N PRO A 35 15.884 -0.860 6.512 1.00 0.00 N ATOM 534 CA PRO A 35 16.071 -1.935 7.512 1.00 0.00 C ATOM 535 C PRO A 35 15.372 -3.213 7.039 1.00 0.00 C ATOM 536 O PRO A 35 15.153 -3.412 5.860 1.00 0.00 O ATOM 537 CB PRO A 35 15.426 -1.422 8.805 1.00 0.00 C ATOM 538 CG PRO A 35 14.823 -0.034 8.505 1.00 0.00 C ATOM 539 CD PRO A 35 15.162 0.315 7.050 1.00 0.00 C ATOM 0 HA PRO A 35 17.124 -2.173 7.660 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.653 -2.110 9.147 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.167 -1.354 9.602 1.00 0.00 H new ATOM 0 HG2 PRO A 35 13.743 -0.045 8.654 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.231 0.715 9.183 1.00 0.00 H new ATOM 0 HD2 PRO A 35 14.258 0.516 6.475 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.779 1.212 6.996 1.00 0.00 H new ATOM 547 N ALA A 36 15.017 -4.079 7.948 1.00 0.00 N ATOM 548 CA ALA A 36 14.329 -5.341 7.551 1.00 0.00 C ATOM 549 C ALA A 36 12.828 -5.076 7.396 1.00 0.00 C ATOM 550 O ALA A 36 12.072 -5.944 7.008 1.00 0.00 O ATOM 551 CB ALA A 36 14.548 -6.403 8.632 1.00 0.00 C ATOM 0 H ALA A 36 15.174 -3.967 8.950 1.00 0.00 H new ATOM 0 HA ALA A 36 14.737 -5.695 6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 36 14.045 -7.326 8.343 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.616 -6.592 8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.139 -6.049 9.578 1.00 0.00 H new ATOM 557 N MET A 37 12.390 -3.883 7.698 1.00 0.00 N ATOM 558 CA MET A 37 10.939 -3.568 7.569 1.00 0.00 C ATOM 559 C MET A 37 10.649 -3.047 6.161 1.00 0.00 C ATOM 560 O MET A 37 11.547 -2.744 5.401 1.00 0.00 O ATOM 561 CB MET A 37 10.557 -2.498 8.595 1.00 0.00 C ATOM 562 CG MET A 37 9.432 -3.023 9.489 1.00 0.00 C ATOM 563 SD MET A 37 8.704 -1.648 10.415 1.00 0.00 S ATOM 564 CE MET A 37 10.141 -1.289 11.453 1.00 0.00 C ATOM 0 H MET A 37 12.974 -3.114 8.028 1.00 0.00 H new ATOM 0 HA MET A 37 10.356 -4.472 7.748 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.424 -2.235 9.201 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.236 -1.589 8.086 1.00 0.00 H new ATOM 0 HG2 MET A 37 8.669 -3.511 8.883 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.820 -3.774 10.177 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.827 -0.712 12.323 1.00 0.00 H new ATOM 0 HE2 MET A 37 10.595 -2.224 11.782 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.869 -0.714 10.880 1.00 0.00 H new ATOM 574 N ILE A 38 9.397 -2.942 5.809 1.00 0.00 N ATOM 575 CA ILE A 38 9.039 -2.444 4.455 1.00 0.00 C ATOM 576 C ILE A 38 7.846 -1.491 4.599 1.00 0.00 C ATOM 577 O ILE A 38 6.787 -1.886 5.025 1.00 0.00 O ATOM 578 CB ILE A 38 8.701 -3.659 3.569 1.00 0.00 C ATOM 579 CG1 ILE A 38 9.238 -3.430 2.156 1.00 0.00 C ATOM 580 CG2 ILE A 38 7.189 -3.904 3.510 1.00 0.00 C ATOM 581 CD1 ILE A 38 10.203 -4.562 1.800 1.00 0.00 C ATOM 0 H ILE A 38 8.605 -3.181 6.405 1.00 0.00 H new ATOM 0 HA ILE A 38 9.860 -1.899 3.988 1.00 0.00 H new ATOM 0 HB ILE A 38 9.171 -4.539 4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.416 -3.398 1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.748 -2.468 2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.985 -4.768 2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.812 -4.093 4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.694 -3.026 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 38 10.591 -4.406 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 38 11.030 -4.572 2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.677 -5.516 1.843 1.00 0.00 H new ATOM 593 N ARG A 39 8.011 -0.233 4.286 1.00 0.00 N ATOM 594 CA ARG A 39 6.871 0.715 4.462 1.00 0.00 C ATOM 595 C ARG A 39 6.628 1.539 3.195 1.00 0.00 C ATOM 596 O ARG A 39 7.426 1.562 2.280 1.00 0.00 O ATOM 597 CB ARG A 39 7.188 1.666 5.617 1.00 0.00 C ATOM 598 CG ARG A 39 8.323 2.606 5.205 1.00 0.00 C ATOM 599 CD ARG A 39 9.132 3.005 6.440 1.00 0.00 C ATOM 600 NE ARG A 39 10.348 2.148 6.536 1.00 0.00 N ATOM 601 CZ ARG A 39 11.331 2.490 7.325 1.00 0.00 C ATOM 602 NH1 ARG A 39 11.253 3.580 8.040 1.00 0.00 N ATOM 603 NH2 ARG A 39 12.395 1.737 7.400 1.00 0.00 N ATOM 0 H ARG A 39 8.872 0.175 3.921 1.00 0.00 H new ATOM 0 HA ARG A 39 5.973 0.134 4.672 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.302 2.243 5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.475 1.098 6.502 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.969 2.115 4.477 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.916 3.494 4.722 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.418 4.055 6.377 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.524 2.894 7.338 1.00 0.00 H new ATOM 0 HE ARG A 39 10.412 1.293 5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.422 4.168 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.023 3.843 8.655 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.457 0.885 6.843 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.164 2.001 8.015 1.00 0.00 H new ATOM 617 N ILE A 40 5.518 2.228 3.164 1.00 0.00 N ATOM 618 CA ILE A 40 5.164 3.084 1.999 1.00 0.00 C ATOM 619 C ILE A 40 4.137 4.126 2.462 1.00 0.00 C ATOM 620 O ILE A 40 3.456 3.934 3.448 1.00 0.00 O ATOM 621 CB ILE A 40 4.556 2.222 0.889 1.00 0.00 C ATOM 622 CG1 ILE A 40 5.658 1.402 0.214 1.00 0.00 C ATOM 623 CG2 ILE A 40 3.884 3.121 -0.151 1.00 0.00 C ATOM 624 CD1 ILE A 40 5.679 -0.009 0.806 1.00 0.00 C ATOM 0 H ILE A 40 4.828 2.232 3.915 1.00 0.00 H new ATOM 0 HA ILE A 40 6.055 3.578 1.612 1.00 0.00 H new ATOM 0 HB ILE A 40 3.815 1.550 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.484 1.354 -0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.625 1.883 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.452 2.505 -0.940 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.096 3.704 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.624 3.795 -0.582 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.464 -0.593 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.874 0.049 1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.715 -0.489 0.638 1.00 0.00 H new ATOM 636 N GLU A 41 4.021 5.227 1.770 1.00 0.00 N ATOM 637 CA GLU A 41 3.039 6.273 2.192 1.00 0.00 C ATOM 638 C GLU A 41 2.204 6.717 0.983 1.00 0.00 C ATOM 639 O GLU A 41 2.359 6.207 -0.110 1.00 0.00 O ATOM 640 CB GLU A 41 3.790 7.484 2.761 1.00 0.00 C ATOM 641 CG GLU A 41 5.219 7.523 2.212 1.00 0.00 C ATOM 642 CD GLU A 41 5.894 8.828 2.639 1.00 0.00 C ATOM 643 OE1 GLU A 41 5.186 9.728 3.061 1.00 0.00 O ATOM 644 OE2 GLU A 41 7.107 8.905 2.537 1.00 0.00 O ATOM 0 H GLU A 41 4.561 5.449 0.933 1.00 0.00 H new ATOM 0 HA GLU A 41 2.381 5.859 2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.266 8.403 2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.812 7.430 3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.786 6.669 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.204 7.447 1.125 1.00 0.00 H new ATOM 651 N ALA A 42 1.326 7.671 1.167 1.00 0.00 N ATOM 652 CA ALA A 42 0.492 8.155 0.029 1.00 0.00 C ATOM 653 C ALA A 42 0.581 9.682 -0.044 1.00 0.00 C ATOM 654 O ALA A 42 1.587 10.260 0.304 1.00 0.00 O ATOM 655 CB ALA A 42 -0.965 7.731 0.224 1.00 0.00 C ATOM 0 H ALA A 42 1.152 8.135 2.058 1.00 0.00 H new ATOM 0 HA ALA A 42 0.861 7.719 -0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.564 8.090 -0.613 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.024 6.644 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.347 8.157 1.152 1.00 0.00 H new ATOM 661 N GLU A 43 -0.452 10.346 -0.492 1.00 0.00 N ATOM 662 CA GLU A 43 -0.374 11.832 -0.611 1.00 0.00 C ATOM 663 C GLU A 43 -1.645 12.512 -0.079 1.00 0.00 C ATOM 664 O GLU A 43 -1.972 13.605 -0.488 1.00 0.00 O ATOM 665 CB GLU A 43 -0.192 12.199 -2.084 1.00 0.00 C ATOM 666 CG GLU A 43 1.299 12.334 -2.394 1.00 0.00 C ATOM 667 CD GLU A 43 1.660 13.814 -2.530 1.00 0.00 C ATOM 668 OE1 GLU A 43 1.111 14.608 -1.784 1.00 0.00 O ATOM 669 OE2 GLU A 43 2.479 14.128 -3.378 1.00 0.00 O ATOM 0 H GLU A 43 -1.338 9.929 -0.778 1.00 0.00 H new ATOM 0 HA GLU A 43 0.470 12.179 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.639 11.434 -2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.706 13.135 -2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.889 11.876 -1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.539 11.804 -3.316 1.00 0.00 H new ATOM 676 N LYS A 44 -2.341 11.888 0.845 1.00 0.00 N ATOM 677 CA LYS A 44 -3.573 12.500 1.445 1.00 0.00 C ATOM 678 C LYS A 44 -4.781 12.268 0.585 1.00 0.00 C ATOM 679 O LYS A 44 -5.868 12.051 1.059 1.00 0.00 O ATOM 680 CB LYS A 44 -3.412 14.009 1.623 1.00 0.00 C ATOM 681 CG LYS A 44 -4.644 14.579 2.332 1.00 0.00 C ATOM 682 CD LYS A 44 -5.196 15.765 1.539 1.00 0.00 C ATOM 683 CE LYS A 44 -5.334 16.976 2.464 1.00 0.00 C ATOM 684 NZ LYS A 44 -6.650 16.920 3.163 1.00 0.00 N ATOM 0 H LYS A 44 -2.104 10.967 1.214 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.710 12.019 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.515 14.223 2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.285 14.488 0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.408 13.808 2.429 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.380 14.896 3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.531 16.002 0.708 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.165 15.510 1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.523 16.985 3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.255 17.898 1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.744 17.743 3.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.417 16.931 2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.708 16.047 3.725 1.00 0.00 H new ATOM 698 N ARG A 45 -4.616 12.356 -0.664 1.00 0.00 N ATOM 699 CA ARG A 45 -5.782 12.179 -1.546 1.00 0.00 C ATOM 700 C ARG A 45 -5.478 11.133 -2.612 1.00 0.00 C ATOM 701 O ARG A 45 -4.633 11.318 -3.465 1.00 0.00 O ATOM 702 CB ARG A 45 -6.118 13.525 -2.163 1.00 0.00 C ATOM 703 CG ARG A 45 -6.078 14.568 -1.045 1.00 0.00 C ATOM 704 CD ARG A 45 -6.409 15.948 -1.615 1.00 0.00 C ATOM 705 NE ARG A 45 -5.188 16.801 -1.593 1.00 0.00 N ATOM 706 CZ ARG A 45 -5.149 17.906 -2.289 1.00 0.00 C ATOM 707 NH1 ARG A 45 -6.168 18.251 -3.029 1.00 0.00 N ATOM 708 NH2 ARG A 45 -4.088 18.665 -2.248 1.00 0.00 N ATOM 0 H ARG A 45 -3.729 12.543 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.642 11.821 -0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -5.404 13.776 -2.947 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.104 13.498 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.792 14.306 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.091 14.582 -0.583 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.780 15.852 -2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.202 16.414 -1.030 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.382 16.522 -1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.997 17.657 -3.065 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.135 19.114 -3.572 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.290 18.395 -1.673 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.057 19.528 -2.791 1.00 0.00 H new ATOM 722 N LEU A 46 -6.155 10.022 -2.549 1.00 0.00 N ATOM 723 CA LEU A 46 -5.911 8.934 -3.532 1.00 0.00 C ATOM 724 C LEU A 46 -7.248 8.292 -3.908 1.00 0.00 C ATOM 725 O LEU A 46 -8.136 8.167 -3.089 1.00 0.00 O ATOM 726 CB LEU A 46 -4.991 7.866 -2.913 1.00 0.00 C ATOM 727 CG LEU A 46 -4.384 8.369 -1.592 1.00 0.00 C ATOM 728 CD1 LEU A 46 -3.888 7.180 -0.771 1.00 0.00 C ATOM 729 CD2 LEU A 46 -3.216 9.303 -1.891 1.00 0.00 C ATOM 0 H LEU A 46 -6.873 9.820 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.433 9.348 -4.420 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.557 6.952 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.194 7.616 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.145 8.908 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.458 7.538 0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.723 6.513 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.129 6.639 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.786 9.659 -0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.456 8.765 -2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.570 10.153 -2.474 1.00 0.00 H new ATOM 741 N GLU A 47 -7.402 7.883 -5.138 1.00 0.00 N ATOM 742 CA GLU A 47 -8.686 7.250 -5.552 1.00 0.00 C ATOM 743 C GLU A 47 -8.440 6.322 -6.744 1.00 0.00 C ATOM 744 O GLU A 47 -7.686 6.634 -7.644 1.00 0.00 O ATOM 745 CB GLU A 47 -9.688 8.337 -5.947 1.00 0.00 C ATOM 746 CG GLU A 47 -11.003 7.686 -6.384 1.00 0.00 C ATOM 747 CD GLU A 47 -11.346 8.129 -7.807 1.00 0.00 C ATOM 748 OE1 GLU A 47 -10.696 7.659 -8.726 1.00 0.00 O ATOM 749 OE2 GLU A 47 -12.253 8.932 -7.954 1.00 0.00 O ATOM 0 H GLU A 47 -6.697 7.959 -5.871 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.088 6.671 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.864 9.007 -5.106 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.283 8.943 -6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.915 6.600 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.805 7.968 -5.701 1.00 0.00 H new ATOM 756 N ILE A 48 -9.075 5.180 -6.753 1.00 0.00 N ATOM 757 CA ILE A 48 -8.883 4.224 -7.883 1.00 0.00 C ATOM 758 C ILE A 48 -10.216 3.537 -8.191 1.00 0.00 C ATOM 759 O ILE A 48 -10.994 3.248 -7.303 1.00 0.00 O ATOM 760 CB ILE A 48 -7.842 3.157 -7.512 1.00 0.00 C ATOM 761 CG1 ILE A 48 -7.172 3.500 -6.176 1.00 0.00 C ATOM 762 CG2 ILE A 48 -6.777 3.083 -8.605 1.00 0.00 C ATOM 763 CD1 ILE A 48 -8.052 3.010 -5.026 1.00 0.00 C ATOM 0 H ILE A 48 -9.719 4.868 -6.026 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.531 4.774 -8.756 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.346 2.195 -7.417 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.188 3.034 -6.120 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.020 4.577 -6.099 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.038 2.326 -8.342 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.246 2.819 -9.553 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.286 4.051 -8.701 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.577 3.253 -4.075 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -9.026 3.497 -5.080 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -8.181 1.930 -5.101 1.00 0.00 H new ATOM 775 N ARG A 49 -10.490 3.273 -9.440 1.00 0.00 N ATOM 776 CA ARG A 49 -11.778 2.607 -9.793 1.00 0.00 C ATOM 777 C ARG A 49 -11.549 1.112 -10.059 1.00 0.00 C ATOM 778 O ARG A 49 -11.490 0.311 -9.147 1.00 0.00 O ATOM 779 CB ARG A 49 -12.380 3.267 -11.039 1.00 0.00 C ATOM 780 CG ARG A 49 -11.260 3.781 -11.948 1.00 0.00 C ATOM 781 CD ARG A 49 -11.852 4.239 -13.283 1.00 0.00 C ATOM 782 NE ARG A 49 -11.173 5.491 -13.725 1.00 0.00 N ATOM 783 CZ ARG A 49 -11.296 5.903 -14.959 1.00 0.00 C ATOM 784 NH1 ARG A 49 -12.015 5.221 -15.811 1.00 0.00 N ATOM 785 NH2 ARG A 49 -10.699 6.998 -15.341 1.00 0.00 N ATOM 0 H ARG A 49 -9.881 3.488 -10.229 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.469 2.715 -8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.998 2.550 -11.579 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.030 4.091 -10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.738 4.608 -11.467 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -10.524 2.995 -12.116 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.727 3.460 -14.035 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -12.923 4.411 -13.178 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.612 6.027 -13.063 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.482 4.364 -15.513 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.109 5.545 -16.773 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.137 7.531 -14.677 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -10.794 7.321 -16.304 1.00 0.00 H new ATOM 799 N ARG A 50 -11.436 0.731 -11.305 1.00 0.00 N ATOM 800 CA ARG A 50 -11.231 -0.707 -11.645 1.00 0.00 C ATOM 801 C ARG A 50 -9.984 -1.255 -10.947 1.00 0.00 C ATOM 802 O ARG A 50 -9.788 -2.450 -10.869 1.00 0.00 O ATOM 803 CB ARG A 50 -11.062 -0.850 -13.158 1.00 0.00 C ATOM 804 CG ARG A 50 -12.418 -0.679 -13.842 1.00 0.00 C ATOM 805 CD ARG A 50 -13.151 -2.021 -13.862 1.00 0.00 C ATOM 806 NE ARG A 50 -14.376 -1.930 -13.019 1.00 0.00 N ATOM 807 CZ ARG A 50 -15.309 -2.839 -13.117 1.00 0.00 C ATOM 808 NH1 ARG A 50 -15.176 -3.830 -13.958 1.00 0.00 N ATOM 809 NH2 ARG A 50 -16.378 -2.758 -12.373 1.00 0.00 N ATOM 0 H ARG A 50 -11.477 1.360 -12.107 1.00 0.00 H new ATOM 0 HA ARG A 50 -12.100 -1.272 -11.308 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.360 -0.103 -13.528 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.643 -1.828 -13.397 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.013 0.065 -13.313 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.281 -0.312 -14.859 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.419 -2.286 -14.885 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.498 -2.810 -13.489 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.486 -1.156 -12.364 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.341 -3.896 -14.541 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -15.907 -4.538 -14.032 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.485 -1.985 -11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.107 -3.467 -12.449 1.00 0.00 H new ATOM 823 N GLU A 51 -9.133 -0.406 -10.442 1.00 0.00 N ATOM 824 CA GLU A 51 -7.911 -0.919 -9.760 1.00 0.00 C ATOM 825 C GLU A 51 -8.318 -1.997 -8.754 1.00 0.00 C ATOM 826 O GLU A 51 -7.542 -2.867 -8.407 1.00 0.00 O ATOM 827 CB GLU A 51 -7.208 0.223 -9.031 1.00 0.00 C ATOM 828 CG GLU A 51 -5.978 -0.320 -8.301 1.00 0.00 C ATOM 829 CD GLU A 51 -4.985 -0.882 -9.320 1.00 0.00 C ATOM 830 OE1 GLU A 51 -4.872 -0.303 -10.389 1.00 0.00 O ATOM 831 OE2 GLU A 51 -4.354 -1.881 -9.015 1.00 0.00 O ATOM 0 H GLU A 51 -9.228 0.609 -10.471 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.230 -1.341 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.911 0.995 -9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.890 0.689 -8.320 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.508 0.473 -7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.274 -1.099 -7.598 1.00 0.00 H new ATOM 838 N THR A 52 -9.533 -1.953 -8.285 1.00 0.00 N ATOM 839 CA THR A 52 -9.983 -2.982 -7.310 1.00 0.00 C ATOM 840 C THR A 52 -10.025 -4.340 -8.007 1.00 0.00 C ATOM 841 O THR A 52 -9.547 -5.327 -7.488 1.00 0.00 O ATOM 842 CB THR A 52 -11.376 -2.629 -6.792 1.00 0.00 C ATOM 843 OG1 THR A 52 -11.494 -1.217 -6.678 1.00 0.00 O ATOM 844 CG2 THR A 52 -11.594 -3.276 -5.424 1.00 0.00 C ATOM 0 H THR A 52 -10.231 -1.252 -8.534 1.00 0.00 H new ATOM 0 HA THR A 52 -9.290 -3.019 -6.469 1.00 0.00 H new ATOM 0 HB THR A 52 -12.128 -3.000 -7.488 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.639 -0.828 -7.566 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.588 -3.023 -5.056 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.505 -4.359 -5.515 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.844 -2.908 -4.724 1.00 0.00 H new ATOM 852 N VAL A 53 -10.585 -4.401 -9.184 1.00 0.00 N ATOM 853 CA VAL A 53 -10.630 -5.702 -9.902 1.00 0.00 C ATOM 854 C VAL A 53 -9.239 -6.325 -9.835 1.00 0.00 C ATOM 855 O VAL A 53 -9.086 -7.530 -9.801 1.00 0.00 O ATOM 856 CB VAL A 53 -11.028 -5.479 -11.362 1.00 0.00 C ATOM 857 CG1 VAL A 53 -10.894 -6.792 -12.134 1.00 0.00 C ATOM 858 CG2 VAL A 53 -12.479 -4.997 -11.425 1.00 0.00 C ATOM 0 H VAL A 53 -11.009 -3.613 -9.674 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.365 -6.362 -9.441 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.374 -4.728 -11.807 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.178 -6.633 -13.174 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.861 -7.137 -12.088 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.548 -7.543 -11.691 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -12.765 -4.837 -12.465 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -13.132 -5.748 -10.981 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.576 -4.061 -10.875 1.00 0.00 H new ATOM 868 N GLU A 54 -8.222 -5.508 -9.784 1.00 0.00 N ATOM 869 CA GLU A 54 -6.844 -6.053 -9.682 1.00 0.00 C ATOM 870 C GLU A 54 -6.691 -6.646 -8.286 1.00 0.00 C ATOM 871 O GLU A 54 -6.227 -7.757 -8.111 1.00 0.00 O ATOM 872 CB GLU A 54 -5.820 -4.932 -9.890 1.00 0.00 C ATOM 873 CG GLU A 54 -4.444 -5.391 -9.403 1.00 0.00 C ATOM 874 CD GLU A 54 -3.452 -5.356 -10.567 1.00 0.00 C ATOM 875 OE1 GLU A 54 -3.554 -4.451 -11.379 1.00 0.00 O ATOM 876 OE2 GLU A 54 -2.608 -6.235 -10.628 1.00 0.00 O ATOM 0 H GLU A 54 -8.288 -4.490 -9.809 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.673 -6.813 -10.444 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.771 -4.662 -10.945 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.129 -4.039 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.098 -4.744 -8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.509 -6.400 -8.997 1.00 0.00 H new ATOM 883 N GLU A 55 -7.105 -5.920 -7.284 1.00 0.00 N ATOM 884 CA GLU A 55 -7.007 -6.462 -5.908 1.00 0.00 C ATOM 885 C GLU A 55 -7.645 -7.850 -5.909 1.00 0.00 C ATOM 886 O GLU A 55 -6.982 -8.844 -5.696 1.00 0.00 O ATOM 887 CB GLU A 55 -7.753 -5.547 -4.933 1.00 0.00 C ATOM 888 CG GLU A 55 -6.805 -4.458 -4.426 1.00 0.00 C ATOM 889 CD GLU A 55 -7.618 -3.259 -3.934 1.00 0.00 C ATOM 890 OE1 GLU A 55 -8.261 -3.386 -2.906 1.00 0.00 O ATOM 891 OE2 GLU A 55 -7.584 -2.235 -4.596 1.00 0.00 O ATOM 0 H GLU A 55 -7.503 -4.984 -7.361 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.965 -6.521 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.612 -5.094 -5.428 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.138 -6.128 -4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.187 -4.848 -3.617 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.129 -4.150 -5.224 1.00 0.00 H new ATOM 898 N ASN A 56 -8.926 -7.922 -6.181 1.00 0.00 N ATOM 899 CA ASN A 56 -9.614 -9.245 -6.224 1.00 0.00 C ATOM 900 C ASN A 56 -8.746 -10.234 -6.979 1.00 0.00 C ATOM 901 O ASN A 56 -8.709 -11.394 -6.638 1.00 0.00 O ATOM 902 CB ASN A 56 -10.964 -9.100 -6.926 1.00 0.00 C ATOM 903 CG ASN A 56 -12.005 -9.963 -6.211 1.00 0.00 C ATOM 904 OD1 ASN A 56 -12.508 -10.916 -6.771 1.00 0.00 O ATOM 905 ND2 ASN A 56 -12.350 -9.668 -4.987 1.00 0.00 N ATOM 0 H ASN A 56 -9.523 -7.118 -6.375 1.00 0.00 H new ATOM 0 HA ASN A 56 -9.778 -9.606 -5.209 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.277 -8.056 -6.923 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.878 -9.404 -7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.042 -10.238 -4.501 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.927 -8.868 -4.517 1.00 0.00 H new ATOM 912 N LEU A 57 -8.019 -9.798 -7.977 1.00 0.00 N ATOM 913 CA LEU A 57 -7.135 -10.758 -8.692 1.00 0.00 C ATOM 914 C LEU A 57 -6.313 -11.473 -7.631 1.00 0.00 C ATOM 915 O LEU A 57 -6.443 -12.663 -7.425 1.00 0.00 O ATOM 916 CB LEU A 57 -6.204 -10.018 -9.653 1.00 0.00 C ATOM 917 CG LEU A 57 -5.440 -11.034 -10.500 1.00 0.00 C ATOM 918 CD1 LEU A 57 -6.281 -11.414 -11.718 1.00 0.00 C ATOM 919 CD2 LEU A 57 -4.118 -10.418 -10.962 1.00 0.00 C ATOM 0 H LEU A 57 -8.000 -8.838 -8.320 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.727 -11.461 -9.278 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.780 -9.352 -10.295 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.506 -9.395 -9.094 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.237 -11.926 -9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.737 -12.139 -12.324 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.223 -11.851 -11.388 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.483 -10.523 -12.313 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.571 -11.141 -11.567 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.320 -9.527 -11.557 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.520 -10.146 -10.092 1.00 0.00 H new ATOM 931 N GLY A 58 -5.505 -10.743 -6.911 1.00 0.00 N ATOM 932 CA GLY A 58 -4.728 -11.387 -5.819 1.00 0.00 C ATOM 933 C GLY A 58 -5.729 -12.137 -4.942 1.00 0.00 C ATOM 934 O GLY A 58 -5.386 -13.085 -4.266 1.00 0.00 O ATOM 0 H GLY A 58 -5.352 -9.742 -7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.984 -12.071 -6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.189 -10.640 -5.237 1.00 0.00 H new ATOM 938 N ARG A 59 -6.972 -11.673 -4.979 1.00 0.00 N ATOM 939 CA ARG A 59 -8.117 -12.239 -4.208 1.00 0.00 C ATOM 940 C ARG A 59 -8.512 -11.253 -3.144 1.00 0.00 C ATOM 941 O ARG A 59 -8.776 -11.618 -2.019 1.00 0.00 O ATOM 942 CB ARG A 59 -7.675 -13.494 -3.578 1.00 0.00 C ATOM 943 CG ARG A 59 -8.837 -14.189 -2.865 1.00 0.00 C ATOM 944 CD ARG A 59 -9.445 -15.248 -3.787 1.00 0.00 C ATOM 945 NE ARG A 59 -10.802 -15.617 -3.292 1.00 0.00 N ATOM 946 CZ ARG A 59 -11.624 -16.284 -4.059 1.00 0.00 C ATOM 947 NH1 ARG A 59 -11.258 -16.639 -5.261 1.00 0.00 N ATOM 948 NH2 ARG A 59 -12.813 -16.598 -3.620 1.00 0.00 N ATOM 0 H ARG A 59 -7.238 -10.874 -5.554 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.967 -12.432 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.259 -14.158 -4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.878 -13.286 -2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.486 -14.653 -1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.595 -13.457 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.509 -14.865 -4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.805 -16.130 -3.818 1.00 0.00 H new ATOM 0 HE ARG A 59 -11.090 -15.348 -2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.329 -16.396 -5.604 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.902 -17.159 -5.857 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -13.099 -16.323 -2.680 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -13.456 -17.118 -4.217 1.00 0.00 H new ATOM 962 N ALA A 60 -8.490 -9.992 -3.472 1.00 0.00 N ATOM 963 CA ALA A 60 -8.785 -8.985 -2.443 1.00 0.00 C ATOM 964 C ALA A 60 -7.690 -9.213 -1.434 1.00 0.00 C ATOM 965 O ALA A 60 -7.771 -10.133 -0.657 1.00 0.00 O ATOM 966 CB ALA A 60 -10.161 -9.228 -1.816 1.00 0.00 C ATOM 0 H ALA A 60 -8.282 -9.627 -4.401 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.815 -7.967 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.355 -8.469 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.928 -9.173 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.181 -10.215 -1.355 1.00 0.00 H new ATOM 972 N TRP A 61 -6.636 -8.440 -1.523 1.00 0.00 N ATOM 973 CA TRP A 61 -5.422 -8.658 -0.655 1.00 0.00 C ATOM 974 C TRP A 61 -5.793 -9.521 0.547 1.00 0.00 C ATOM 975 O TRP A 61 -6.087 -9.060 1.632 1.00 0.00 O ATOM 976 CB TRP A 61 -4.885 -7.302 -0.187 1.00 0.00 C ATOM 977 CG TRP A 61 -3.940 -7.494 0.958 1.00 0.00 C ATOM 978 CD1 TRP A 61 -2.717 -8.064 0.869 1.00 0.00 C ATOM 979 CD2 TRP A 61 -4.122 -7.127 2.356 1.00 0.00 C ATOM 980 NE1 TRP A 61 -2.134 -8.068 2.124 1.00 0.00 N ATOM 981 CE2 TRP A 61 -2.963 -7.503 3.075 1.00 0.00 C ATOM 982 CE3 TRP A 61 -5.171 -6.512 3.064 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -2.846 -7.274 4.447 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -5.058 -6.281 4.444 1.00 0.00 C ATOM 985 CH2 TRP A 61 -3.898 -6.662 5.134 1.00 0.00 C ATOM 0 H TRP A 61 -6.558 -7.654 -2.168 1.00 0.00 H new ATOM 0 HA TRP A 61 -4.650 -9.172 -1.228 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -4.376 -6.800 -1.009 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -5.711 -6.659 0.116 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.269 -8.452 -0.034 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -1.206 -8.442 2.323 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.069 -6.216 2.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -1.950 -7.567 4.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.869 -5.807 4.977 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.818 -6.483 6.196 1.00 0.00 H new ATOM 996 N ASP A 62 -5.812 -10.804 0.282 1.00 0.00 N ATOM 997 CA ASP A 62 -6.195 -11.821 1.284 1.00 0.00 C ATOM 998 C ASP A 62 -4.929 -12.488 1.824 1.00 0.00 C ATOM 999 O ASP A 62 -4.789 -13.695 1.805 1.00 0.00 O ATOM 1000 CB ASP A 62 -7.083 -12.857 0.574 1.00 0.00 C ATOM 1001 CG ASP A 62 -7.383 -14.018 1.523 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -8.050 -13.786 2.518 1.00 0.00 O ATOM 1003 OD2 ASP A 62 -6.941 -15.119 1.239 1.00 0.00 O ATOM 0 H ASP A 62 -5.566 -11.193 -0.628 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.736 -11.374 2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.013 -12.391 0.249 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.582 -13.227 -0.321 1.00 0.00 H new ATOM 1008 N VAL A 63 -3.999 -11.702 2.290 1.00 0.00 N ATOM 1009 CA VAL A 63 -2.726 -12.268 2.818 1.00 0.00 C ATOM 1010 C VAL A 63 -2.873 -12.590 4.305 1.00 0.00 C ATOM 1011 O VAL A 63 -1.906 -12.891 4.976 1.00 0.00 O ATOM 1012 CB VAL A 63 -1.618 -11.237 2.644 1.00 0.00 C ATOM 1013 CG1 VAL A 63 -0.281 -11.843 3.070 1.00 0.00 C ATOM 1014 CG2 VAL A 63 -1.543 -10.811 1.176 1.00 0.00 C ATOM 0 H VAL A 63 -4.067 -10.685 2.328 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.485 -13.181 2.274 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.833 -10.367 3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.510 -11.104 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.335 -12.143 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.064 -12.715 2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.750 -10.073 1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.330 -11.681 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.495 -10.375 0.875 1.00 0.00 H new ATOM 1024 N GLN A 64 -4.067 -12.518 4.823 1.00 0.00 N ATOM 1025 CA GLN A 64 -4.275 -12.813 6.272 1.00 0.00 C ATOM 1026 C GLN A 64 -3.406 -14.003 6.686 1.00 0.00 C ATOM 1027 O GLN A 64 -2.943 -14.085 7.807 1.00 0.00 O ATOM 1028 CB GLN A 64 -5.749 -13.146 6.522 1.00 0.00 C ATOM 1029 CG GLN A 64 -6.635 -12.022 5.975 1.00 0.00 C ATOM 1030 CD GLN A 64 -6.049 -10.662 6.364 1.00 0.00 C ATOM 1031 OE1 GLN A 64 -6.025 -10.308 7.526 1.00 0.00 O ATOM 1032 NE2 GLN A 64 -5.571 -9.881 5.433 1.00 0.00 N ATOM 0 H GLN A 64 -4.910 -12.267 4.307 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.995 -11.939 6.860 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.005 -14.090 6.041 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.926 -13.274 7.590 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.708 -12.100 4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.646 -12.119 6.370 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.591 -10.179 4.458 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.177 -8.973 5.681 1.00 0.00 H new ATOM 1041 N GLU A 65 -3.170 -14.921 5.789 1.00 0.00 N ATOM 1042 CA GLU A 65 -2.321 -16.096 6.139 1.00 0.00 C ATOM 1043 C GLU A 65 -0.903 -15.609 6.445 1.00 0.00 C ATOM 1044 O GLU A 65 -0.349 -15.888 7.490 1.00 0.00 O ATOM 1045 CB GLU A 65 -2.288 -17.075 4.961 1.00 0.00 C ATOM 1046 CG GLU A 65 -2.729 -18.460 5.439 1.00 0.00 C ATOM 1047 CD GLU A 65 -3.158 -19.305 4.238 1.00 0.00 C ATOM 1048 OE1 GLU A 65 -2.751 -18.981 3.134 1.00 0.00 O ATOM 1049 OE2 GLU A 65 -3.885 -20.263 4.443 1.00 0.00 O ATOM 0 H GLU A 65 -3.526 -14.909 4.833 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.732 -16.603 7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.946 -16.726 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.282 -17.125 4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.912 -18.950 5.968 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.555 -18.367 6.144 1.00 0.00 H new ATOM 1056 N MET A 66 -0.319 -14.870 5.542 1.00 0.00 N ATOM 1057 CA MET A 66 1.056 -14.342 5.771 1.00 0.00 C ATOM 1058 C MET A 66 0.997 -13.170 6.750 1.00 0.00 C ATOM 1059 O MET A 66 1.999 -12.584 7.092 1.00 0.00 O ATOM 1060 CB MET A 66 1.617 -13.841 4.451 1.00 0.00 C ATOM 1061 CG MET A 66 2.887 -14.619 4.101 1.00 0.00 C ATOM 1062 SD MET A 66 2.467 -16.007 3.018 1.00 0.00 S ATOM 1063 CE MET A 66 2.545 -17.306 4.276 1.00 0.00 C ATOM 0 H MET A 66 -0.738 -14.608 4.650 1.00 0.00 H new ATOM 0 HA MET A 66 1.686 -15.133 6.178 1.00 0.00 H new ATOM 0 HB2 MET A 66 0.876 -13.962 3.661 1.00 0.00 H new ATOM 0 HB3 MET A 66 1.839 -12.776 4.520 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.604 -13.963 3.607 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.364 -14.985 5.010 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.420 -18.280 3.802 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.511 -17.268 4.779 1.00 0.00 H new ATOM 0 HE3 MET A 66 1.750 -17.154 5.006 1.00 0.00 H new ATOM 1073 N LEU A 67 -0.180 -12.821 7.183 1.00 0.00 N ATOM 1074 CA LEU A 67 -0.348 -11.676 8.131 1.00 0.00 C ATOM 1075 C LEU A 67 0.784 -11.638 9.169 1.00 0.00 C ATOM 1076 O LEU A 67 1.072 -10.599 9.728 1.00 0.00 O ATOM 1077 CB LEU A 67 -1.687 -11.815 8.856 1.00 0.00 C ATOM 1078 CG LEU A 67 -1.987 -10.524 9.618 1.00 0.00 C ATOM 1079 CD1 LEU A 67 -2.574 -9.489 8.657 1.00 0.00 C ATOM 1080 CD2 LEU A 67 -2.995 -10.812 10.733 1.00 0.00 C ATOM 0 H LEU A 67 -1.049 -13.285 6.919 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.318 -10.750 7.556 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.482 -12.020 8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.654 -12.658 9.546 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.065 -10.136 10.052 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.788 -8.568 9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.857 -9.283 7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.496 -9.877 8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.209 -9.892 11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.917 -11.200 10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.578 -11.550 11.419 1.00 0.00 H new ATOM 1092 N VAL A 68 1.423 -12.749 9.438 1.00 0.00 N ATOM 1093 CA VAL A 68 2.529 -12.758 10.446 1.00 0.00 C ATOM 1094 C VAL A 68 3.365 -11.479 10.317 1.00 0.00 C ATOM 1095 O VAL A 68 3.942 -11.000 11.273 1.00 0.00 O ATOM 1096 CB VAL A 68 3.426 -13.968 10.190 1.00 0.00 C ATOM 1097 CG1 VAL A 68 2.784 -15.221 10.789 1.00 0.00 C ATOM 1098 CG2 VAL A 68 3.604 -14.156 8.681 1.00 0.00 C ATOM 0 H VAL A 68 1.227 -13.651 9.003 1.00 0.00 H new ATOM 0 HA VAL A 68 2.103 -12.810 11.448 1.00 0.00 H new ATOM 0 HB VAL A 68 4.398 -13.805 10.656 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.426 -16.082 10.605 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.657 -15.087 11.863 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.811 -15.388 10.326 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.244 -15.019 8.495 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.631 -14.319 8.217 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.064 -13.264 8.255 1.00 0.00 H new ATOM 1108 N ASP A 69 3.424 -10.924 9.140 1.00 0.00 N ATOM 1109 CA ASP A 69 4.206 -9.676 8.925 1.00 0.00 C ATOM 1110 C ASP A 69 3.666 -8.569 9.834 1.00 0.00 C ATOM 1111 O ASP A 69 2.583 -8.672 10.375 1.00 0.00 O ATOM 1112 CB ASP A 69 4.042 -9.241 7.468 1.00 0.00 C ATOM 1113 CG ASP A 69 2.554 -9.094 7.148 1.00 0.00 C ATOM 1114 OD1 ASP A 69 1.803 -8.768 8.052 1.00 0.00 O ATOM 1115 OD2 ASP A 69 2.190 -9.310 6.004 1.00 0.00 O ATOM 0 H ASP A 69 2.958 -11.286 8.308 1.00 0.00 H new ATOM 0 HA ASP A 69 5.256 -9.856 9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.557 -8.295 7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.498 -9.975 6.804 1.00 0.00 H new ATOM 1120 N VAL A 70 4.406 -7.506 9.999 1.00 0.00 N ATOM 1121 CA VAL A 70 3.919 -6.391 10.865 1.00 0.00 C ATOM 1122 C VAL A 70 2.915 -5.548 10.075 1.00 0.00 C ATOM 1123 O VAL A 70 2.789 -5.688 8.877 1.00 0.00 O ATOM 1124 CB VAL A 70 5.097 -5.514 11.293 1.00 0.00 C ATOM 1125 CG1 VAL A 70 4.604 -4.428 12.251 1.00 0.00 C ATOM 1126 CG2 VAL A 70 6.144 -6.377 12.000 1.00 0.00 C ATOM 0 H VAL A 70 5.322 -7.360 9.575 1.00 0.00 H new ATOM 0 HA VAL A 70 3.440 -6.802 11.754 1.00 0.00 H new ATOM 0 HB VAL A 70 5.541 -5.049 10.413 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.444 -3.803 12.556 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.857 -3.813 11.750 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.160 -4.893 13.131 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.984 -5.753 12.305 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.699 -6.842 12.880 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.496 -7.152 11.319 1.00 0.00 H new ATOM 1136 N ILE A 71 2.187 -4.685 10.734 1.00 0.00 N ATOM 1137 CA ILE A 71 1.186 -3.854 10.017 1.00 0.00 C ATOM 1138 C ILE A 71 1.319 -2.384 10.437 1.00 0.00 C ATOM 1139 O ILE A 71 1.668 -2.080 11.560 1.00 0.00 O ATOM 1140 CB ILE A 71 -0.206 -4.355 10.388 1.00 0.00 C ATOM 1141 CG1 ILE A 71 -0.395 -4.251 11.903 1.00 0.00 C ATOM 1142 CG2 ILE A 71 -0.363 -5.814 9.957 1.00 0.00 C ATOM 1143 CD1 ILE A 71 -1.417 -3.158 12.217 1.00 0.00 C ATOM 0 H ILE A 71 2.245 -4.522 11.739 1.00 0.00 H new ATOM 0 HA ILE A 71 1.350 -3.929 8.942 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.955 -3.747 9.881 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.734 -5.206 12.304 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.556 -4.023 12.384 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.359 -6.167 10.224 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.228 -5.891 8.878 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.386 -6.425 10.461 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.551 -3.084 13.296 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.060 -2.204 11.830 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.370 -3.405 11.749 1.00 0.00 H new ATOM 1155 N THR A 72 1.022 -1.469 9.547 1.00 0.00 N ATOM 1156 CA THR A 72 1.106 -0.020 9.902 1.00 0.00 C ATOM 1157 C THR A 72 0.110 0.771 9.050 1.00 0.00 C ATOM 1158 O THR A 72 -0.078 0.499 7.881 1.00 0.00 O ATOM 1159 CB THR A 72 2.528 0.507 9.677 1.00 0.00 C ATOM 1160 OG1 THR A 72 3.408 -0.582 9.446 1.00 0.00 O ATOM 1161 CG2 THR A 72 2.986 1.275 10.918 1.00 0.00 C ATOM 0 H THR A 72 0.725 -1.664 8.591 1.00 0.00 H new ATOM 0 HA THR A 72 0.859 0.102 10.956 1.00 0.00 H new ATOM 0 HB THR A 72 2.537 1.170 8.812 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.908 -1.330 9.058 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.997 1.651 10.761 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.311 2.112 11.097 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.976 0.610 11.782 1.00 0.00 H new ATOM 1169 N ILE A 73 -0.541 1.742 9.634 1.00 0.00 N ATOM 1170 CA ILE A 73 -1.537 2.546 8.869 1.00 0.00 C ATOM 1171 C ILE A 73 -1.371 4.029 9.217 1.00 0.00 C ATOM 1172 O ILE A 73 -0.892 4.376 10.279 1.00 0.00 O ATOM 1173 CB ILE A 73 -2.948 2.085 9.238 1.00 0.00 C ATOM 1174 CG1 ILE A 73 -2.945 0.569 9.454 1.00 0.00 C ATOM 1175 CG2 ILE A 73 -3.914 2.432 8.104 1.00 0.00 C ATOM 1176 CD1 ILE A 73 -2.566 -0.133 8.148 1.00 0.00 C ATOM 0 H ILE A 73 -0.425 2.013 10.610 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.378 2.407 7.800 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.266 2.586 10.152 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.237 0.305 10.240 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.929 0.236 9.786 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.919 2.103 8.369 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.916 3.510 7.945 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.597 1.930 7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.564 -1.212 8.302 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.291 0.122 7.375 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.573 0.191 7.836 1.00 0.00 H new ATOM 1188 N GLY A 74 -1.745 4.908 8.326 1.00 0.00 N ATOM 1189 CA GLY A 74 -1.587 6.365 8.606 1.00 0.00 C ATOM 1190 C GLY A 74 -2.387 7.184 7.594 1.00 0.00 C ATOM 1191 O GLY A 74 -2.013 8.281 7.231 1.00 0.00 O ATOM 0 H GLY A 74 -2.152 4.681 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -1.928 6.588 9.617 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.534 6.641 8.557 1.00 0.00 H new ATOM 1195 N GLY A 75 -3.485 6.657 7.144 1.00 0.00 N ATOM 1196 CA GLY A 75 -4.335 7.386 6.166 1.00 0.00 C ATOM 1197 C GLY A 75 -5.797 7.037 6.441 1.00 0.00 C ATOM 1198 O GLY A 75 -6.440 7.630 7.285 1.00 0.00 O ATOM 0 H GLY A 75 -3.836 5.739 7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.179 8.461 6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.064 7.108 5.147 1.00 0.00 H new ATOM 1202 N ASN A 76 -6.327 6.075 5.741 1.00 0.00 N ATOM 1203 CA ASN A 76 -7.747 5.683 5.967 1.00 0.00 C ATOM 1204 C ASN A 76 -8.065 4.428 5.157 1.00 0.00 C ATOM 1205 O ASN A 76 -7.201 3.622 4.874 1.00 0.00 O ATOM 1206 CB ASN A 76 -8.666 6.820 5.513 1.00 0.00 C ATOM 1207 CG ASN A 76 -9.779 7.023 6.542 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -9.540 6.965 7.732 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -10.995 7.260 6.131 1.00 0.00 N ATOM 0 H ASN A 76 -5.839 5.542 5.021 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.903 5.484 7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.093 7.740 5.396 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.096 6.587 4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.745 7.397 6.809 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.195 7.309 5.132 1.00 0.00 H new ATOM 1216 N VAL A 77 -9.298 4.267 4.765 1.00 0.00 N ATOM 1217 CA VAL A 77 -9.673 3.077 3.955 1.00 0.00 C ATOM 1218 C VAL A 77 -11.171 3.125 3.651 1.00 0.00 C ATOM 1219 O VAL A 77 -11.981 2.613 4.398 1.00 0.00 O ATOM 1220 CB VAL A 77 -9.347 1.801 4.732 1.00 0.00 C ATOM 1221 CG1 VAL A 77 -10.114 1.796 6.055 1.00 0.00 C ATOM 1222 CG2 VAL A 77 -9.758 0.582 3.903 1.00 0.00 C ATOM 0 H VAL A 77 -10.063 4.910 4.971 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.111 3.080 3.021 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.276 1.763 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.881 0.886 6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.824 2.664 6.647 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.185 1.834 5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.526 -0.329 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -10.829 0.622 3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.212 0.583 2.960 1.00 0.00 H new ATOM 1232 N ASP A 78 -11.550 3.738 2.564 1.00 0.00 N ATOM 1233 CA ASP A 78 -12.999 3.817 2.226 1.00 0.00 C ATOM 1234 C ASP A 78 -13.293 2.952 1.001 1.00 0.00 C ATOM 1235 O ASP A 78 -12.633 3.046 -0.017 1.00 0.00 O ATOM 1236 CB ASP A 78 -13.405 5.267 1.926 1.00 0.00 C ATOM 1237 CG ASP A 78 -12.193 6.199 2.029 1.00 0.00 C ATOM 1238 OD1 ASP A 78 -11.830 6.547 3.141 1.00 0.00 O ATOM 1239 OD2 ASP A 78 -11.651 6.549 0.994 1.00 0.00 O ATOM 0 H ASP A 78 -10.922 4.186 1.897 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.571 3.456 3.081 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.835 5.330 0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.177 5.587 2.626 1.00 0.00 H new ATOM 1244 N GLU A 79 -14.288 2.114 1.093 1.00 0.00 N ATOM 1245 CA GLU A 79 -14.644 1.243 -0.061 1.00 0.00 C ATOM 1246 C GLU A 79 -16.135 1.399 -0.366 1.00 0.00 C ATOM 1247 O GLU A 79 -16.940 1.604 0.521 1.00 0.00 O ATOM 1248 CB GLU A 79 -14.343 -0.218 0.283 1.00 0.00 C ATOM 1249 CG GLU A 79 -13.829 -0.938 -0.965 1.00 0.00 C ATOM 1250 CD GLU A 79 -14.755 -2.110 -1.298 1.00 0.00 C ATOM 1251 OE1 GLU A 79 -15.935 -2.009 -1.004 1.00 0.00 O ATOM 1252 OE2 GLU A 79 -14.268 -3.087 -1.841 1.00 0.00 O ATOM 0 H GLU A 79 -14.872 1.995 1.921 1.00 0.00 H new ATOM 0 HA GLU A 79 -14.057 1.534 -0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.600 -0.270 1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.243 -0.708 0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.786 -0.245 -1.805 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.814 -1.299 -0.797 1.00 0.00 H new ATOM 1259 N ASP A 80 -16.514 1.304 -1.610 1.00 0.00 N ATOM 1260 CA ASP A 80 -17.956 1.448 -1.956 1.00 0.00 C ATOM 1261 C ASP A 80 -18.533 0.075 -2.317 1.00 0.00 C ATOM 1262 O ASP A 80 -18.836 -0.723 -1.451 1.00 0.00 O ATOM 1263 CB ASP A 80 -18.112 2.409 -3.138 1.00 0.00 C ATOM 1264 CG ASP A 80 -16.886 2.312 -4.048 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -16.484 1.201 -4.353 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -16.369 3.351 -4.425 1.00 0.00 O ATOM 0 H ASP A 80 -15.891 1.134 -2.399 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.497 1.851 -1.100 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.014 2.166 -3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -18.228 3.430 -2.776 1.00 0.00 H new ATOM 1271 N ASP A 81 -18.687 -0.215 -3.583 1.00 0.00 N ATOM 1272 CA ASP A 81 -19.242 -1.538 -3.978 1.00 0.00 C ATOM 1273 C ASP A 81 -18.127 -2.395 -4.582 1.00 0.00 C ATOM 1274 O ASP A 81 -17.881 -3.504 -4.150 1.00 0.00 O ATOM 1275 CB ASP A 81 -20.353 -1.336 -5.011 1.00 0.00 C ATOM 1276 CG ASP A 81 -21.661 -0.994 -4.295 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -21.670 -0.027 -3.550 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -22.631 -1.703 -4.503 1.00 0.00 O ATOM 0 H ASP A 81 -18.452 0.407 -4.357 1.00 0.00 H new ATOM 0 HA ASP A 81 -19.651 -2.041 -3.102 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -20.083 -0.535 -5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -20.478 -2.240 -5.607 1.00 0.00 H new ATOM 1283 N ASP A 82 -17.445 -1.887 -5.572 1.00 0.00 N ATOM 1284 CA ASP A 82 -16.341 -2.666 -6.195 1.00 0.00 C ATOM 1285 C ASP A 82 -15.110 -1.771 -6.286 1.00 0.00 C ATOM 1286 O ASP A 82 -14.003 -2.174 -5.986 1.00 0.00 O ATOM 1287 CB ASP A 82 -16.755 -3.112 -7.599 1.00 0.00 C ATOM 1288 CG ASP A 82 -17.095 -4.604 -7.582 1.00 0.00 C ATOM 1289 OD1 ASP A 82 -17.710 -5.040 -6.622 1.00 0.00 O ATOM 1290 OD2 ASP A 82 -16.735 -5.284 -8.528 1.00 0.00 O ATOM 0 H ASP A 82 -17.606 -0.964 -5.976 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.120 -3.548 -5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.617 -2.536 -7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.948 -2.920 -8.306 1.00 0.00 H new ATOM 1295 N ARG A 83 -15.306 -0.549 -6.691 1.00 0.00 N ATOM 1296 CA ARG A 83 -14.169 0.400 -6.801 1.00 0.00 C ATOM 1297 C ARG A 83 -13.432 0.467 -5.459 1.00 0.00 C ATOM 1298 O ARG A 83 -13.705 -0.295 -4.553 1.00 0.00 O ATOM 1299 CB ARG A 83 -14.720 1.782 -7.151 1.00 0.00 C ATOM 1300 CG ARG A 83 -14.831 1.921 -8.670 1.00 0.00 C ATOM 1301 CD ARG A 83 -16.122 1.252 -9.147 1.00 0.00 C ATOM 1302 NE ARG A 83 -16.540 1.841 -10.451 1.00 0.00 N ATOM 1303 CZ ARG A 83 -17.430 1.233 -11.189 1.00 0.00 C ATOM 1304 NH1 ARG A 83 -17.947 0.100 -10.795 1.00 0.00 N ATOM 1305 NH2 ARG A 83 -17.804 1.757 -12.324 1.00 0.00 N ATOM 0 H ARG A 83 -16.214 -0.165 -6.953 1.00 0.00 H new ATOM 0 HA ARG A 83 -13.476 0.068 -7.575 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -15.698 1.922 -6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.066 2.557 -6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.828 2.974 -8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.969 1.460 -9.153 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.969 0.178 -9.254 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.909 1.389 -8.406 1.00 0.00 H new ATOM 0 HE ARG A 83 -16.131 2.720 -10.767 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.656 -0.313 -9.909 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.642 -0.372 -11.374 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -17.401 2.641 -12.635 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -18.499 1.282 -12.900 1.00 0.00 H new ATOM 1319 N PHE A 84 -12.506 1.377 -5.324 1.00 0.00 N ATOM 1320 CA PHE A 84 -11.756 1.499 -4.040 1.00 0.00 C ATOM 1321 C PHE A 84 -11.101 2.881 -3.974 1.00 0.00 C ATOM 1322 O PHE A 84 -10.651 3.406 -4.973 1.00 0.00 O ATOM 1323 CB PHE A 84 -10.679 0.416 -3.972 1.00 0.00 C ATOM 1324 CG PHE A 84 -9.758 0.695 -2.809 1.00 0.00 C ATOM 1325 CD1 PHE A 84 -10.291 0.952 -1.541 1.00 0.00 C ATOM 1326 CD2 PHE A 84 -8.371 0.697 -2.999 1.00 0.00 C ATOM 1327 CE1 PHE A 84 -9.438 1.212 -0.462 1.00 0.00 C ATOM 1328 CE2 PHE A 84 -7.517 0.958 -1.920 1.00 0.00 C ATOM 1329 CZ PHE A 84 -8.050 1.215 -0.652 1.00 0.00 C ATOM 0 H PHE A 84 -12.236 2.042 -6.048 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.440 1.377 -3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.141 -0.565 -3.857 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.111 0.394 -4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.361 0.950 -1.395 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -7.960 0.497 -3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.850 1.410 0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.447 0.961 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 84 -7.391 1.416 0.180 1.00 0.00 H new ATOM 1339 N VAL A 85 -11.049 3.484 -2.815 1.00 0.00 N ATOM 1340 CA VAL A 85 -10.427 4.836 -2.720 1.00 0.00 C ATOM 1341 C VAL A 85 -9.816 5.052 -1.332 1.00 0.00 C ATOM 1342 O VAL A 85 -10.343 4.611 -0.330 1.00 0.00 O ATOM 1343 CB VAL A 85 -11.497 5.900 -2.971 1.00 0.00 C ATOM 1344 CG1 VAL A 85 -12.598 5.777 -1.915 1.00 0.00 C ATOM 1345 CG2 VAL A 85 -10.861 7.289 -2.881 1.00 0.00 C ATOM 0 H VAL A 85 -11.407 3.103 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 85 -9.637 4.913 -3.467 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.927 5.757 -3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.360 6.535 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.050 4.787 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.169 5.921 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.621 8.050 -3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.433 7.430 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.075 7.379 -3.631 1.00 0.00 H new ATOM 1355 N LEU A 86 -8.710 5.745 -1.274 1.00 0.00 N ATOM 1356 CA LEU A 86 -8.052 6.020 0.037 1.00 0.00 C ATOM 1357 C LEU A 86 -7.451 7.428 -0.014 1.00 0.00 C ATOM 1358 O LEU A 86 -6.801 7.789 -0.968 1.00 0.00 O ATOM 1359 CB LEU A 86 -6.929 4.988 0.233 1.00 0.00 C ATOM 1360 CG LEU A 86 -6.300 5.086 1.634 1.00 0.00 C ATOM 1361 CD1 LEU A 86 -5.188 6.140 1.643 1.00 0.00 C ATOM 1362 CD2 LEU A 86 -7.355 5.457 2.675 1.00 0.00 C ATOM 0 H LEU A 86 -8.230 6.135 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.766 5.953 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.327 3.985 0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.159 5.141 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.880 4.112 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.751 6.200 2.640 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.417 5.861 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.604 7.110 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.889 5.521 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.796 6.420 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.134 4.695 2.691 1.00 0.00 H new ATOM 1374 N GLU A 87 -7.654 8.217 1.007 1.00 0.00 N ATOM 1375 CA GLU A 87 -7.085 9.586 1.040 1.00 0.00 C ATOM 1376 C GLU A 87 -6.262 9.746 2.320 1.00 0.00 C ATOM 1377 O GLU A 87 -5.505 8.873 2.693 1.00 0.00 O ATOM 1378 CB GLU A 87 -8.218 10.599 1.018 1.00 0.00 C ATOM 1379 CG GLU A 87 -9.304 10.137 0.045 1.00 0.00 C ATOM 1380 CD GLU A 87 -10.495 9.584 0.830 1.00 0.00 C ATOM 1381 OE1 GLU A 87 -10.313 9.253 1.990 1.00 0.00 O ATOM 1382 OE2 GLU A 87 -11.569 9.500 0.257 1.00 0.00 O ATOM 0 H GLU A 87 -8.199 7.962 1.830 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.444 9.751 0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.637 10.713 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.839 11.576 0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -9.624 10.970 -0.581 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.907 9.371 -0.621 1.00 0.00 H new ATOM 1389 N TRP A 88 -6.412 10.849 3.004 1.00 0.00 N ATOM 1390 CA TRP A 88 -5.647 11.048 4.263 1.00 0.00 C ATOM 1391 C TRP A 88 -6.487 10.565 5.451 1.00 0.00 C ATOM 1392 O TRP A 88 -6.498 9.399 5.781 1.00 0.00 O ATOM 1393 CB TRP A 88 -5.304 12.525 4.469 1.00 0.00 C ATOM 1394 CG TRP A 88 -4.744 12.706 5.844 1.00 0.00 C ATOM 1395 CD1 TRP A 88 -4.194 11.716 6.585 1.00 0.00 C ATOM 1396 CD2 TRP A 88 -4.665 13.916 6.652 1.00 0.00 C ATOM 1397 NE1 TRP A 88 -3.782 12.241 7.796 1.00 0.00 N ATOM 1398 CE2 TRP A 88 -4.051 13.593 7.886 1.00 0.00 C ATOM 1399 CE3 TRP A 88 -5.062 15.249 6.439 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 -3.837 14.556 8.872 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 -4.849 16.222 7.431 1.00 0.00 C ATOM 1402 CH2 TRP A 88 -4.238 15.875 8.645 1.00 0.00 C ATOM 0 H TRP A 88 -7.030 11.617 2.744 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.721 10.478 4.194 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.581 12.852 3.722 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.195 13.140 4.341 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.093 10.685 6.280 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -3.334 11.696 8.533 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -5.533 15.526 5.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -3.365 14.284 9.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.158 17.242 7.257 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -4.078 16.627 9.404 1.00 0.00 H new ATOM 1413 N LYS A 89 -7.188 11.462 6.098 1.00 0.00 N ATOM 1414 CA LYS A 89 -8.023 11.067 7.268 1.00 0.00 C ATOM 1415 C LYS A 89 -7.114 10.635 8.421 1.00 0.00 C ATOM 1416 O LYS A 89 -5.977 10.255 8.220 1.00 0.00 O ATOM 1417 CB LYS A 89 -8.941 9.908 6.881 1.00 0.00 C ATOM 1418 CG LYS A 89 -9.718 10.272 5.616 1.00 0.00 C ATOM 1419 CD LYS A 89 -11.213 10.061 5.859 1.00 0.00 C ATOM 1420 CE LYS A 89 -11.862 11.393 6.236 1.00 0.00 C ATOM 1421 NZ LYS A 89 -12.771 11.830 5.140 1.00 0.00 N ATOM 0 H LYS A 89 -7.216 12.454 5.863 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.630 11.917 7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.353 9.006 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.632 9.691 7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.526 11.310 5.344 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.384 9.656 4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.684 9.656 4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.363 9.333 6.656 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.421 11.287 7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.095 12.148 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.213 12.736 5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.226 11.946 4.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.510 11.113 4.996 1.00 0.00 H new ATOM 1435 N ASN A 90 -7.606 10.692 9.629 1.00 0.00 N ATOM 1436 CA ASN A 90 -6.772 10.286 10.795 1.00 0.00 C ATOM 1437 C ASN A 90 -6.494 8.784 10.728 1.00 0.00 C ATOM 1438 O ASN A 90 -7.111 8.053 11.486 1.00 0.00 O ATOM 1439 CB ASN A 90 -7.519 10.608 12.091 1.00 0.00 C ATOM 1440 CG ASN A 90 -6.512 10.799 13.227 1.00 0.00 C ATOM 1441 OD1 ASN A 90 -5.406 11.250 13.004 1.00 0.00 O ATOM 1442 ND2 ASN A 90 -6.850 10.472 14.443 1.00 0.00 N ATOM 1443 OXT ASN A 90 -5.668 8.389 9.921 1.00 0.00 O ATOM 0 H ASN A 90 -8.550 11.002 9.858 1.00 0.00 H new ATOM 0 HA ASN A 90 -5.828 10.830 10.773 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.116 11.511 11.964 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.210 9.801 12.335 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -6.186 10.595 15.207 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.779 10.093 14.630 1.00 0.00 H new TER 1450 ASN A 90