USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 754 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 101 THR OG1 : rot 180:sc= -0.0339 USER MOD Set 1.2: A 114 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 82 MET CE :methyl -173:sc= -1.42 (180deg=-1.83) USER MOD Set 2.2: A 96 MET CE :methyl 163:sc= -1.66 (180deg=-1.52) USER MOD Set 3.1: A 63 CYS SG : rot 9:sc= 0.838 USER MOD Set 3.2: A 90 CYS SG : rot -22:sc= 0.738 USER MOD Set 4.1: A 75 ASN : amide:sc= -0.161 K(o=-0.19,f=-5.4!) USER MOD Set 4.2: A 78 SER OG : rot 180:sc= -0.0293 USER MOD Set 5.1: A 40 ASN : amide:sc= -0.355 K(o=-0.8,f=-3.3!) USER MOD Set 5.2: A 117 GLN : amide:sc= -0.45 K(o=-0.8,f=-6!) USER MOD Set 6.1: A 32 THR OG1 : rot 117:sc= 0.735 USER MOD Set 6.2: A 50 THR OG1 : rot 180:sc= 0.653 USER MOD Single : A 26 GLN :FLIP amide:sc= 0.00754 F(o=-0.79!,f=0.0075) USER MOD Single : A 33 TYR OH : rot 165:sc= -2.51! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc=-0.00659 X(o=-0.0066,f=-0.0066) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 147:sc= -0.0679 (180deg=-1.53!) USER MOD Single : A 46 THR OG1 : rot 82:sc= 0.672! USER MOD Single : A 52 ASN : amide:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 56 SER OG : rot 7:sc= 1.08 USER MOD Single : A 58 GLN : amide:sc= -0.22 K(o=-0.22,f=-3.7!) USER MOD Single : A 65 THR OG1 : rot 144:sc= 1.05 USER MOD Single : A 68 GLN : amide:sc= -0.15 K(o=-0.15,f=-2.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -157:sc= -0.979 (180deg=-1.58) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 94 THR OG1 : rot -98:sc= 0.0718 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.0457 F(o=-0.72,f=-0.046) USER MOD Single : A 108 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.21) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= 0.0604 K(o=0.06,f=-4.6!) USER MOD Single : A 120 MET CE :methyl -178:sc= -0.408 (180deg=-0.433) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 25 -5.058 -12.529 -12.780 1.00 0.00 N ATOM 2 CA GLY A 25 -6.276 -13.351 -12.772 1.00 0.00 C ATOM 3 C GLY A 25 -6.592 -13.720 -11.339 1.00 0.00 C ATOM 4 O GLY A 25 -5.687 -14.116 -10.614 1.00 0.00 O ATOM 0 HA2 GLY A 25 -7.107 -12.802 -13.215 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.132 -14.249 -13.372 1.00 0.00 H new ATOM 8 N GLN A 26 -7.844 -13.567 -10.904 1.00 0.00 N ATOM 9 CA GLN A 26 -8.236 -13.750 -9.509 1.00 0.00 C ATOM 10 C GLN A 26 -7.834 -15.153 -9.044 1.00 0.00 C ATOM 11 O GLN A 26 -8.219 -16.133 -9.679 1.00 0.00 O ATOM 12 CB GLN A 26 -9.753 -13.511 -9.365 1.00 0.00 C ATOM 13 CG GLN A 26 -10.159 -12.604 -8.195 1.00 0.00 C ATOM 14 CD GLN A 26 -10.007 -13.251 -6.823 1.00 0.00 C ATOM 15 OE1 GLN A 26 -8.831 -13.250 -6.216 1.00 0.00 O flip ATOM 16 NE2 GLN A 26 -10.974 -13.792 -6.288 1.00 0.00 N flip ATOM 0 H GLN A 26 -8.619 -13.311 -11.516 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.722 -13.028 -8.875 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.126 -13.073 -10.291 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.248 -14.475 -9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.555 -11.697 -8.226 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -11.197 -12.300 -8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.881 -13.793 -6.755 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.869 -14.239 -5.377 1.00 0.00 H new ATOM 25 N GLU A 27 -7.038 -15.264 -7.981 1.00 0.00 N ATOM 26 CA GLU A 27 -6.518 -16.552 -7.539 1.00 0.00 C ATOM 27 C GLU A 27 -6.267 -16.652 -6.037 1.00 0.00 C ATOM 28 O GLU A 27 -5.628 -17.599 -5.577 1.00 0.00 O ATOM 29 CB GLU A 27 -5.214 -16.820 -8.308 1.00 0.00 C ATOM 30 CG GLU A 27 -4.129 -15.756 -8.045 1.00 0.00 C ATOM 31 CD GLU A 27 -2.738 -16.282 -8.424 1.00 0.00 C ATOM 32 OE1 GLU A 27 -2.556 -16.873 -9.517 1.00 0.00 O ATOM 33 OE2 GLU A 27 -1.806 -16.233 -7.587 1.00 0.00 O ATOM 0 H GLU A 27 -6.740 -14.473 -7.410 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.281 -17.301 -7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.829 -17.800 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.429 -16.855 -9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.350 -14.856 -8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.140 -15.473 -6.992 1.00 0.00 H new ATOM 41 N LEU A 28 -6.795 -15.699 -5.276 1.00 0.00 N ATOM 42 CA LEU A 28 -6.615 -15.587 -3.836 1.00 0.00 C ATOM 43 C LEU A 28 -7.912 -15.052 -3.224 1.00 0.00 C ATOM 44 O LEU A 28 -8.338 -13.960 -3.596 1.00 0.00 O ATOM 45 CB LEU A 28 -5.411 -14.686 -3.478 1.00 0.00 C ATOM 46 CG LEU A 28 -4.020 -15.336 -3.624 1.00 0.00 C ATOM 47 CD1 LEU A 28 -2.939 -14.360 -3.141 1.00 0.00 C ATOM 48 CD2 LEU A 28 -3.861 -16.629 -2.810 1.00 0.00 C ATOM 0 H LEU A 28 -7.381 -14.958 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.394 -16.572 -3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.445 -13.799 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.527 -14.349 -2.448 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.914 -15.579 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.958 -14.823 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.977 -13.450 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.114 -14.113 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.859 -17.032 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.011 -16.414 -1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.599 -17.360 -3.140 1.00 0.00 H new ATOM 60 N PRO A 29 -8.569 -15.775 -2.303 1.00 0.00 N ATOM 61 CA PRO A 29 -9.785 -15.300 -1.654 1.00 0.00 C ATOM 62 C PRO A 29 -9.436 -14.108 -0.753 1.00 0.00 C ATOM 63 O PRO A 29 -8.378 -14.149 -0.122 1.00 0.00 O ATOM 64 CB PRO A 29 -10.294 -16.488 -0.834 1.00 0.00 C ATOM 65 CG PRO A 29 -9.024 -17.273 -0.501 1.00 0.00 C ATOM 66 CD PRO A 29 -8.112 -17.012 -1.700 1.00 0.00 C ATOM 0 HA PRO A 29 -10.544 -14.962 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -10.809 -16.160 0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.001 -17.093 -1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.572 -16.928 0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.231 -18.336 -0.379 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.072 -16.929 -1.385 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.165 -17.834 -2.414 1.00 0.00 H new ATOM 74 N PRO A 30 -10.284 -13.069 -0.653 1.00 0.00 N ATOM 75 CA PRO A 30 -10.047 -11.925 0.215 1.00 0.00 C ATOM 76 C PRO A 30 -10.005 -12.338 1.695 1.00 0.00 C ATOM 77 O PRO A 30 -10.519 -13.394 2.073 1.00 0.00 O ATOM 78 CB PRO A 30 -11.145 -10.923 -0.118 1.00 0.00 C ATOM 79 CG PRO A 30 -12.281 -11.790 -0.642 1.00 0.00 C ATOM 80 CD PRO A 30 -11.548 -12.926 -1.343 1.00 0.00 C ATOM 0 HA PRO A 30 -9.070 -11.472 0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.448 -10.355 0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.815 -10.201 -0.865 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.915 -12.156 0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.925 -11.240 -1.329 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.125 -13.850 -1.297 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.394 -12.699 -2.398 1.00 0.00 H new ATOM 88 N GLY A 31 -9.406 -11.506 2.543 1.00 0.00 N ATOM 89 CA GLY A 31 -8.983 -11.928 3.880 1.00 0.00 C ATOM 90 C GLY A 31 -8.046 -10.927 4.550 1.00 0.00 C ATOM 91 O GLY A 31 -8.200 -9.725 4.329 1.00 0.00 O ATOM 0 H GLY A 31 -9.201 -10.530 2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.864 -12.069 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.484 -12.894 3.809 1.00 0.00 H new ATOM 95 N THR A 32 -7.129 -11.385 5.415 1.00 0.00 N ATOM 96 CA THR A 32 -6.092 -10.567 6.048 1.00 0.00 C ATOM 97 C THR A 32 -4.819 -11.416 6.205 1.00 0.00 C ATOM 98 O THR A 32 -4.869 -12.514 6.767 1.00 0.00 O ATOM 99 CB THR A 32 -6.640 -9.954 7.363 1.00 0.00 C ATOM 100 OG1 THR A 32 -5.912 -8.831 7.810 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.676 -10.928 8.540 1.00 0.00 C ATOM 0 H THR A 32 -7.090 -12.364 5.700 1.00 0.00 H new ATOM 0 HA THR A 32 -5.813 -9.713 5.430 1.00 0.00 H new ATOM 0 HB THR A 32 -7.653 -9.671 7.077 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.492 -8.041 7.803 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.072 -10.421 9.420 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.315 -11.775 8.292 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.667 -11.283 8.749 1.00 0.00 H new ATOM 109 N TYR A 33 -3.692 -10.937 5.672 1.00 0.00 N ATOM 110 CA TYR A 33 -2.368 -11.559 5.797 1.00 0.00 C ATOM 111 C TYR A 33 -1.599 -10.825 6.868 1.00 0.00 C ATOM 112 O TYR A 33 -2.049 -9.771 7.287 1.00 0.00 O ATOM 113 CB TYR A 33 -1.567 -11.437 4.496 1.00 0.00 C ATOM 114 CG TYR A 33 -1.418 -10.023 3.942 1.00 0.00 C ATOM 115 CD1 TYR A 33 -0.577 -9.032 4.474 1.00 0.00 C ATOM 116 CD2 TYR A 33 -2.177 -9.689 2.831 1.00 0.00 C ATOM 117 CE1 TYR A 33 -0.420 -7.814 3.780 1.00 0.00 C ATOM 118 CE2 TYR A 33 -2.121 -8.434 2.235 1.00 0.00 C ATOM 119 CZ TYR A 33 -1.160 -7.524 2.632 1.00 0.00 C ATOM 120 OH TYR A 33 -1.041 -6.349 1.971 1.00 0.00 O ATOM 0 H TYR A 33 -3.674 -10.077 5.123 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.507 -12.613 6.036 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.572 -11.849 4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.045 -12.057 3.737 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.056 -9.201 5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.838 -10.433 2.412 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.290 -7.087 4.146 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.828 -8.171 1.462 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.448 -6.431 1.083 1.00 0.00 H new ATOM 130 N ARG A 34 -0.403 -11.297 7.206 1.00 0.00 N ATOM 131 CA ARG A 34 0.603 -10.753 8.080 1.00 0.00 C ATOM 132 C ARG A 34 1.882 -10.646 7.269 1.00 0.00 C ATOM 133 O ARG A 34 2.417 -11.676 6.869 1.00 0.00 O ATOM 134 CB ARG A 34 0.781 -11.763 9.217 1.00 0.00 C ATOM 135 CG ARG A 34 2.070 -11.548 10.002 1.00 0.00 C ATOM 136 CD ARG A 34 2.215 -10.107 10.455 1.00 0.00 C ATOM 137 NE ARG A 34 1.171 -9.760 11.420 1.00 0.00 N ATOM 138 CZ ARG A 34 1.272 -9.496 12.719 1.00 0.00 C ATOM 139 NH1 ARG A 34 2.442 -9.325 13.320 1.00 0.00 N ATOM 140 NH2 ARG A 34 0.143 -9.393 13.401 1.00 0.00 N ATOM 0 H ARG A 34 -0.088 -12.185 6.816 1.00 0.00 H new ATOM 0 HA ARG A 34 0.340 -9.775 8.483 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.069 -11.692 9.896 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.776 -12.772 8.805 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.081 -12.206 10.871 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.924 -11.823 9.383 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.197 -9.959 10.905 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.156 -9.442 9.593 1.00 0.00 H new ATOM 0 HE ARG A 34 0.226 -9.714 11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.306 -9.395 12.783 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.477 -9.124 14.319 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.752 -9.515 12.927 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.168 -9.191 14.401 1.00 0.00 H new ATOM 154 N VAL A 35 2.351 -9.431 7.001 1.00 0.00 N ATOM 155 CA VAL A 35 3.560 -9.207 6.202 1.00 0.00 C ATOM 156 C VAL A 35 4.173 -7.877 6.613 1.00 0.00 C ATOM 157 O VAL A 35 3.610 -7.157 7.449 1.00 0.00 O ATOM 158 CB VAL A 35 3.219 -9.249 4.692 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.424 -10.482 4.209 1.00 0.00 C ATOM 160 CG2 VAL A 35 2.454 -7.990 4.316 1.00 0.00 C ATOM 0 H VAL A 35 1.908 -8.573 7.329 1.00 0.00 H new ATOM 0 HA VAL A 35 4.289 -9.996 6.384 1.00 0.00 H new ATOM 0 HB VAL A 35 4.184 -9.318 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.244 -10.402 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.996 -11.387 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.470 -10.529 4.735 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.212 -8.015 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.533 -7.937 4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.068 -7.114 4.528 1.00 0.00 H new ATOM 170 N ASP A 36 5.287 -7.539 5.968 1.00 0.00 N ATOM 171 CA ASP A 36 5.924 -6.249 6.141 1.00 0.00 C ATOM 172 C ASP A 36 5.525 -5.445 4.916 1.00 0.00 C ATOM 173 O ASP A 36 5.775 -5.870 3.789 1.00 0.00 O ATOM 174 CB ASP A 36 7.453 -6.298 6.295 1.00 0.00 C ATOM 175 CG ASP A 36 8.083 -7.571 6.844 1.00 0.00 C ATOM 176 OD1 ASP A 36 8.908 -8.170 6.124 1.00 0.00 O ATOM 177 OD2 ASP A 36 7.783 -7.988 7.987 1.00 0.00 O ATOM 0 H ASP A 36 5.768 -8.155 5.313 1.00 0.00 H new ATOM 0 HA ASP A 36 5.592 -5.803 7.079 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.892 -6.105 5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.748 -5.474 6.945 1.00 0.00 H new ATOM 183 N ILE A 37 4.843 -4.324 5.119 1.00 0.00 N ATOM 184 CA ILE A 37 4.631 -3.300 4.114 1.00 0.00 C ATOM 185 C ILE A 37 6.012 -2.760 3.766 1.00 0.00 C ATOM 186 O ILE A 37 6.713 -2.228 4.629 1.00 0.00 O ATOM 187 CB ILE A 37 3.671 -2.207 4.638 1.00 0.00 C ATOM 188 CG1 ILE A 37 2.294 -2.813 5.009 1.00 0.00 C ATOM 189 CG2 ILE A 37 3.494 -1.095 3.583 1.00 0.00 C ATOM 190 CD1 ILE A 37 2.109 -3.075 6.510 1.00 0.00 C ATOM 0 H ILE A 37 4.411 -4.100 6.015 1.00 0.00 H new ATOM 0 HA ILE A 37 4.150 -3.696 3.220 1.00 0.00 H new ATOM 0 HB ILE A 37 4.110 -1.774 5.537 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.508 -2.138 4.669 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.164 -3.751 4.469 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.815 -0.333 3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.461 -0.642 3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.080 -1.522 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.120 -3.499 6.686 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.870 -3.775 6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.205 -2.137 7.058 1.00 0.00 H new ATOM 202 N TYR A 38 6.393 -2.925 2.508 1.00 0.00 N ATOM 203 CA TYR A 38 7.708 -2.648 1.973 1.00 0.00 C ATOM 204 C TYR A 38 7.475 -1.657 0.859 1.00 0.00 C ATOM 205 O TYR A 38 7.000 -2.058 -0.202 1.00 0.00 O ATOM 206 CB TYR A 38 8.319 -3.948 1.442 1.00 0.00 C ATOM 207 CG TYR A 38 9.721 -4.223 1.907 1.00 0.00 C ATOM 208 CD1 TYR A 38 9.957 -4.715 3.200 1.00 0.00 C ATOM 209 CD2 TYR A 38 10.787 -4.005 1.025 1.00 0.00 C ATOM 210 CE1 TYR A 38 11.273 -4.973 3.616 1.00 0.00 C ATOM 211 CE2 TYR A 38 12.109 -4.225 1.445 1.00 0.00 C ATOM 212 CZ TYR A 38 12.354 -4.711 2.745 1.00 0.00 C ATOM 213 OH TYR A 38 13.629 -4.929 3.157 1.00 0.00 O ATOM 0 H TYR A 38 5.752 -3.276 1.796 1.00 0.00 H new ATOM 0 HA TYR A 38 8.399 -2.249 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.682 -4.781 1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 38 8.312 -3.917 0.352 1.00 0.00 H new ATOM 0 HD1 TYR A 38 9.131 -4.894 3.872 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.592 -3.666 0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 38 11.459 -5.372 4.602 1.00 0.00 H new ATOM 0 HE2 TYR A 38 12.933 -4.023 0.776 1.00 0.00 H new ATOM 0 HH TYR A 38 14.250 -4.699 2.435 1.00 0.00 H new ATOM 223 N LEU A 39 7.701 -0.373 1.102 1.00 0.00 N ATOM 224 CA LEU A 39 7.524 0.611 0.056 1.00 0.00 C ATOM 225 C LEU A 39 8.847 0.810 -0.648 1.00 0.00 C ATOM 226 O LEU A 39 9.837 1.084 0.023 1.00 0.00 O ATOM 227 CB LEU A 39 7.056 1.947 0.617 1.00 0.00 C ATOM 228 CG LEU A 39 6.751 2.940 -0.513 1.00 0.00 C ATOM 229 CD1 LEU A 39 5.367 2.697 -1.113 1.00 0.00 C ATOM 230 CD2 LEU A 39 6.871 4.370 -0.021 1.00 0.00 C ATOM 0 H LEU A 39 8.002 0.002 2.001 1.00 0.00 H new ATOM 0 HA LEU A 39 6.763 0.248 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.164 1.798 1.226 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.823 2.360 1.272 1.00 0.00 H new ATOM 0 HG LEU A 39 7.490 2.779 -1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.184 3.418 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.319 1.687 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.609 2.813 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.650 5.056 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.164 4.536 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.885 4.547 0.338 1.00 0.00 H new ATOM 242 N ASN A 40 8.849 0.763 -1.982 1.00 0.00 N ATOM 243 CA ASN A 40 9.997 1.120 -2.819 1.00 0.00 C ATOM 244 C ASN A 40 11.270 0.470 -2.287 1.00 0.00 C ATOM 245 O ASN A 40 12.337 1.080 -2.247 1.00 0.00 O ATOM 246 CB ASN A 40 10.145 2.649 -2.963 1.00 0.00 C ATOM 247 CG ASN A 40 8.995 3.310 -3.703 1.00 0.00 C ATOM 248 OD1 ASN A 40 8.564 2.844 -4.753 1.00 0.00 O ATOM 249 ND2 ASN A 40 8.482 4.419 -3.195 1.00 0.00 N ATOM 0 H ASN A 40 8.035 0.469 -2.522 1.00 0.00 H new ATOM 0 HA ASN A 40 9.819 0.731 -3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.228 3.092 -1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.075 2.867 -3.488 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.720 4.896 -3.677 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.849 4.797 -2.321 1.00 0.00 H new ATOM 256 N ASN A 41 11.151 -0.794 -1.886 1.00 0.00 N ATOM 257 CA ASN A 41 12.208 -1.632 -1.362 1.00 0.00 C ATOM 258 C ASN A 41 12.727 -1.104 -0.020 1.00 0.00 C ATOM 259 O ASN A 41 13.939 -0.970 0.176 1.00 0.00 O ATOM 260 CB ASN A 41 13.279 -1.892 -2.433 1.00 0.00 C ATOM 261 CG ASN A 41 12.672 -2.177 -3.801 1.00 0.00 C ATOM 262 OD1 ASN A 41 12.872 -1.417 -4.744 1.00 0.00 O ATOM 263 ND2 ASN A 41 11.862 -3.213 -3.951 1.00 0.00 N ATOM 0 H ASN A 41 10.256 -1.283 -1.924 1.00 0.00 H new ATOM 0 HA ASN A 41 11.809 -2.618 -1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.937 -1.026 -2.503 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.896 -2.737 -2.129 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.406 -3.378 -4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 41 11.694 -3.846 -3.169 1.00 0.00 H new ATOM 270 N GLY A 42 11.822 -0.838 0.929 1.00 0.00 N ATOM 271 CA GLY A 42 12.152 -0.445 2.293 1.00 0.00 C ATOM 272 C GLY A 42 10.986 -0.797 3.209 1.00 0.00 C ATOM 273 O GLY A 42 9.853 -0.428 2.910 1.00 0.00 O ATOM 0 H GLY A 42 10.818 -0.893 0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.057 -0.955 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.355 0.625 2.337 1.00 0.00 H new ATOM 277 N TYR A 43 11.232 -1.537 4.291 1.00 0.00 N ATOM 278 CA TYR A 43 10.220 -1.869 5.295 1.00 0.00 C ATOM 279 C TYR A 43 9.709 -0.577 5.945 1.00 0.00 C ATOM 280 O TYR A 43 10.488 0.183 6.522 1.00 0.00 O ATOM 281 CB TYR A 43 10.828 -2.831 6.336 1.00 0.00 C ATOM 282 CG TYR A 43 10.298 -2.669 7.744 1.00 0.00 C ATOM 283 CD1 TYR A 43 8.930 -2.860 8.009 1.00 0.00 C ATOM 284 CD2 TYR A 43 11.161 -2.271 8.784 1.00 0.00 C ATOM 285 CE1 TYR A 43 8.430 -2.603 9.294 1.00 0.00 C ATOM 286 CE2 TYR A 43 10.650 -2.017 10.067 1.00 0.00 C ATOM 287 CZ TYR A 43 9.273 -2.147 10.322 1.00 0.00 C ATOM 288 OH TYR A 43 8.763 -1.853 11.550 1.00 0.00 O ATOM 0 H TYR A 43 12.151 -1.928 4.497 1.00 0.00 H new ATOM 0 HA TYR A 43 9.372 -2.371 4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.646 -3.855 6.011 1.00 0.00 H new ATOM 0 HB3 TYR A 43 11.909 -2.689 6.352 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.268 -3.203 7.227 1.00 0.00 H new ATOM 0 HD2 TYR A 43 12.218 -2.161 8.594 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.381 -2.758 9.497 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.318 -1.720 10.862 1.00 0.00 H new ATOM 0 HH TYR A 43 9.485 -1.553 12.141 1.00 0.00 H new ATOM 298 N MET A 44 8.395 -0.353 5.884 1.00 0.00 N ATOM 299 CA MET A 44 7.719 0.814 6.441 1.00 0.00 C ATOM 300 C MET A 44 6.922 0.452 7.693 1.00 0.00 C ATOM 301 O MET A 44 7.017 1.176 8.680 1.00 0.00 O ATOM 302 CB MET A 44 6.789 1.440 5.394 1.00 0.00 C ATOM 303 CG MET A 44 7.469 1.867 4.090 1.00 0.00 C ATOM 304 SD MET A 44 8.346 3.455 4.068 1.00 0.00 S ATOM 305 CE MET A 44 9.911 3.068 4.877 1.00 0.00 C ATOM 0 H MET A 44 7.753 -1.003 5.430 1.00 0.00 H new ATOM 0 HA MET A 44 8.484 1.538 6.723 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.001 0.725 5.157 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.306 2.312 5.835 1.00 0.00 H new ATOM 0 HG2 MET A 44 8.180 1.089 3.814 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.708 1.895 3.310 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.705 3.677 4.444 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.832 3.280 5.943 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.144 2.013 4.734 1.00 0.00 H new ATOM 315 N ALA A 45 6.118 -0.615 7.661 1.00 0.00 N ATOM 316 CA ALA A 45 5.296 -1.072 8.782 1.00 0.00 C ATOM 317 C ALA A 45 5.066 -2.573 8.632 1.00 0.00 C ATOM 318 O ALA A 45 5.192 -3.095 7.529 1.00 0.00 O ATOM 319 CB ALA A 45 3.967 -0.306 8.805 1.00 0.00 C ATOM 0 H ALA A 45 6.019 -1.200 6.831 1.00 0.00 H new ATOM 0 HA ALA A 45 5.803 -0.880 9.728 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.362 -0.653 9.643 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.164 0.760 8.916 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.430 -0.481 7.873 1.00 0.00 H new ATOM 325 N THR A 46 4.704 -3.262 9.712 1.00 0.00 N ATOM 326 CA THR A 46 4.466 -4.704 9.725 1.00 0.00 C ATOM 327 C THR A 46 3.298 -4.940 10.664 1.00 0.00 C ATOM 328 O THR A 46 3.241 -4.337 11.743 1.00 0.00 O ATOM 329 CB THR A 46 5.720 -5.471 10.177 1.00 0.00 C ATOM 330 OG1 THR A 46 6.773 -5.164 9.300 1.00 0.00 O ATOM 331 CG2 THR A 46 5.544 -6.993 10.199 1.00 0.00 C ATOM 0 H THR A 46 4.565 -2.824 10.623 1.00 0.00 H new ATOM 0 HA THR A 46 4.236 -5.072 8.725 1.00 0.00 H new ATOM 0 HB THR A 46 5.924 -5.158 11.201 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.173 -4.307 9.556 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.471 -7.462 10.528 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.740 -7.256 10.887 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.295 -7.345 9.198 1.00 0.00 H new ATOM 339 N ARG A 47 2.344 -5.757 10.223 1.00 0.00 N ATOM 340 CA ARG A 47 1.046 -5.985 10.842 1.00 0.00 C ATOM 341 C ARG A 47 0.241 -6.881 9.917 1.00 0.00 C ATOM 342 O ARG A 47 0.701 -7.233 8.826 1.00 0.00 O ATOM 343 CB ARG A 47 0.276 -4.674 11.144 1.00 0.00 C ATOM 344 CG ARG A 47 0.422 -3.491 10.159 1.00 0.00 C ATOM 345 CD ARG A 47 -0.920 -2.989 9.614 1.00 0.00 C ATOM 346 NE ARG A 47 -1.858 -2.627 10.687 1.00 0.00 N ATOM 347 CZ ARG A 47 -3.171 -2.399 10.611 1.00 0.00 C ATOM 348 NH1 ARG A 47 -3.804 -2.393 9.447 1.00 0.00 N ATOM 349 NH2 ARG A 47 -3.835 -2.161 11.734 1.00 0.00 N ATOM 0 H ARG A 47 2.466 -6.309 9.374 1.00 0.00 H new ATOM 0 HA ARG A 47 1.202 -6.461 11.810 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.784 -4.920 11.213 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.587 -4.326 12.129 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.933 -2.670 10.661 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.054 -3.797 9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.749 -2.122 8.976 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.367 -3.761 8.989 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.449 -2.538 11.617 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.287 -2.565 8.585 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.808 -2.216 9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.342 -2.155 12.627 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.839 -1.984 11.705 1.00 0.00 H new ATOM 363 N ASP A 48 -0.958 -7.255 10.354 1.00 0.00 N ATOM 364 CA ASP A 48 -1.926 -7.880 9.480 1.00 0.00 C ATOM 365 C ASP A 48 -2.580 -6.807 8.598 1.00 0.00 C ATOM 366 O ASP A 48 -2.997 -5.763 9.119 1.00 0.00 O ATOM 367 CB ASP A 48 -3.009 -8.662 10.247 1.00 0.00 C ATOM 368 CG ASP A 48 -2.602 -10.062 10.709 1.00 0.00 C ATOM 369 OD1 ASP A 48 -1.536 -10.224 11.343 1.00 0.00 O ATOM 370 OD2 ASP A 48 -3.392 -11.020 10.546 1.00 0.00 O ATOM 0 H ASP A 48 -1.277 -7.132 11.315 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.391 -8.605 8.866 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.303 -8.080 11.121 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.890 -8.749 9.611 1.00 0.00 H new ATOM 376 N VAL A 49 -2.709 -7.023 7.285 1.00 0.00 N ATOM 377 CA VAL A 49 -3.271 -6.081 6.337 1.00 0.00 C ATOM 378 C VAL A 49 -4.463 -6.806 5.729 1.00 0.00 C ATOM 379 O VAL A 49 -4.309 -7.838 5.074 1.00 0.00 O ATOM 380 CB VAL A 49 -2.198 -5.703 5.333 1.00 0.00 C ATOM 381 CG1 VAL A 49 -2.612 -4.621 4.355 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.857 -5.312 5.974 1.00 0.00 C ATOM 0 H VAL A 49 -2.411 -7.894 6.846 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.605 -5.140 6.774 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.059 -6.629 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.787 -4.412 3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.478 -4.958 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.869 -3.714 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.141 -5.055 5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.003 -4.453 6.629 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.474 -6.150 6.556 1.00 0.00 H new ATOM 392 N THR A 50 -5.665 -6.319 6.013 1.00 0.00 N ATOM 393 CA THR A 50 -6.887 -6.856 5.435 1.00 0.00 C ATOM 394 C THR A 50 -6.945 -6.423 3.968 1.00 0.00 C ATOM 395 O THR A 50 -6.480 -5.328 3.647 1.00 0.00 O ATOM 396 CB THR A 50 -8.069 -6.372 6.286 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.802 -6.632 7.664 1.00 0.00 O ATOM 398 CG2 THR A 50 -9.381 -7.061 5.920 1.00 0.00 C ATOM 0 H THR A 50 -5.818 -5.539 6.652 1.00 0.00 H new ATOM 0 HA THR A 50 -6.923 -7.945 5.442 1.00 0.00 H new ATOM 0 HB THR A 50 -8.179 -5.305 6.094 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.556 -6.322 8.208 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.181 -6.679 6.554 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.618 -6.860 4.875 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.281 -8.136 6.069 1.00 0.00 H new ATOM 406 N PHE A 51 -7.469 -7.269 3.078 1.00 0.00 N ATOM 407 CA PHE A 51 -7.543 -7.040 1.654 1.00 0.00 C ATOM 408 C PHE A 51 -8.860 -7.606 1.119 1.00 0.00 C ATOM 409 O PHE A 51 -9.399 -8.569 1.671 1.00 0.00 O ATOM 410 CB PHE A 51 -6.341 -7.728 0.993 1.00 0.00 C ATOM 411 CG PHE A 51 -6.208 -9.196 1.336 1.00 0.00 C ATOM 412 CD1 PHE A 51 -6.902 -10.155 0.590 1.00 0.00 C ATOM 413 CD2 PHE A 51 -5.384 -9.616 2.394 1.00 0.00 C ATOM 414 CE1 PHE A 51 -6.720 -11.518 0.859 1.00 0.00 C ATOM 415 CE2 PHE A 51 -5.250 -10.985 2.684 1.00 0.00 C ATOM 416 CZ PHE A 51 -5.918 -11.941 1.918 1.00 0.00 C ATOM 0 H PHE A 51 -7.867 -8.167 3.353 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.514 -5.974 1.430 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.425 -7.624 -0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.429 -7.211 1.293 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.578 -9.845 -0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.852 -8.885 2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.209 -12.253 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.625 -11.299 3.507 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.815 -12.993 2.142 1.00 0.00 H new ATOM 426 N ASN A 52 -9.350 -7.034 0.022 1.00 0.00 N ATOM 427 CA ASN A 52 -10.640 -7.322 -0.611 1.00 0.00 C ATOM 428 C ASN A 52 -10.432 -7.534 -2.098 1.00 0.00 C ATOM 429 O ASN A 52 -9.403 -7.132 -2.636 1.00 0.00 O ATOM 430 CB ASN A 52 -11.690 -6.219 -0.379 1.00 0.00 C ATOM 431 CG ASN A 52 -11.123 -4.830 -0.165 1.00 0.00 C ATOM 432 OD1 ASN A 52 -11.068 -3.995 -1.067 1.00 0.00 O ATOM 433 ND2 ASN A 52 -10.693 -4.560 1.057 1.00 0.00 N ATOM 0 H ASN A 52 -8.829 -6.315 -0.480 1.00 0.00 H new ATOM 0 HA ASN A 52 -11.033 -8.226 -0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.363 -6.192 -1.236 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.291 -6.488 0.490 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.304 -3.641 1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.750 -5.271 1.786 1.00 0.00 H new ATOM 440 N THR A 53 -11.396 -8.177 -2.751 1.00 0.00 N ATOM 441 CA THR A 53 -11.336 -8.520 -4.159 1.00 0.00 C ATOM 442 C THR A 53 -11.309 -7.215 -4.959 1.00 0.00 C ATOM 443 O THR A 53 -12.133 -6.321 -4.740 1.00 0.00 O ATOM 444 CB THR A 53 -12.534 -9.418 -4.544 1.00 0.00 C ATOM 445 OG1 THR A 53 -13.200 -9.939 -3.405 1.00 0.00 O ATOM 446 CG2 THR A 53 -12.043 -10.654 -5.302 1.00 0.00 C ATOM 0 H THR A 53 -12.260 -8.479 -2.300 1.00 0.00 H new ATOM 0 HA THR A 53 -10.436 -9.092 -4.383 1.00 0.00 H new ATOM 0 HB THR A 53 -13.199 -8.788 -5.135 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.951 -10.499 -3.693 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.895 -11.280 -5.568 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.524 -10.343 -6.208 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.360 -11.221 -4.670 1.00 0.00 H new ATOM 454 N GLY A 54 -10.341 -7.091 -5.858 1.00 0.00 N ATOM 455 CA GLY A 54 -10.095 -5.920 -6.682 1.00 0.00 C ATOM 456 C GLY A 54 -9.509 -6.398 -7.993 1.00 0.00 C ATOM 457 O GLY A 54 -9.838 -7.493 -8.454 1.00 0.00 O ATOM 0 H GLY A 54 -9.675 -7.842 -6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.021 -5.371 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.408 -5.237 -6.182 1.00 0.00 H new ATOM 461 N ASP A 55 -8.681 -5.577 -8.628 1.00 0.00 N ATOM 462 CA ASP A 55 -8.086 -5.890 -9.914 1.00 0.00 C ATOM 463 C ASP A 55 -6.609 -5.550 -9.828 1.00 0.00 C ATOM 464 O ASP A 55 -6.198 -4.391 -9.895 1.00 0.00 O ATOM 465 CB ASP A 55 -8.820 -5.165 -11.060 1.00 0.00 C ATOM 466 CG ASP A 55 -9.414 -6.106 -12.114 1.00 0.00 C ATOM 467 OD1 ASP A 55 -9.455 -7.346 -11.918 1.00 0.00 O ATOM 468 OD2 ASP A 55 -9.907 -5.611 -13.156 1.00 0.00 O ATOM 0 H ASP A 55 -8.404 -4.668 -8.258 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.187 -6.950 -10.147 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.620 -4.557 -10.638 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.125 -4.482 -11.548 1.00 0.00 H new ATOM 474 N SER A 56 -5.816 -6.581 -9.573 1.00 0.00 N ATOM 475 CA SER A 56 -4.376 -6.670 -9.719 1.00 0.00 C ATOM 476 C SER A 56 -4.057 -8.174 -9.802 1.00 0.00 C ATOM 477 O SER A 56 -4.994 -8.980 -9.825 1.00 0.00 O ATOM 478 CB SER A 56 -3.679 -5.986 -8.539 1.00 0.00 C ATOM 479 OG SER A 56 -3.865 -4.590 -8.608 1.00 0.00 O ATOM 0 H SER A 56 -6.205 -7.458 -9.226 1.00 0.00 H new ATOM 0 HA SER A 56 -4.015 -6.158 -10.611 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.079 -6.368 -7.600 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.614 -6.220 -8.551 1.00 0.00 H new ATOM 0 HG SER A 56 -4.492 -4.379 -9.331 1.00 0.00 H new ATOM 485 N GLU A 57 -2.773 -8.547 -9.870 1.00 0.00 N ATOM 486 CA GLU A 57 -2.328 -9.883 -10.266 1.00 0.00 C ATOM 487 C GLU A 57 -3.089 -10.994 -9.551 1.00 0.00 C ATOM 488 O GLU A 57 -3.748 -11.795 -10.220 1.00 0.00 O ATOM 489 CB GLU A 57 -0.817 -10.066 -10.057 1.00 0.00 C ATOM 490 CG GLU A 57 -0.007 -9.090 -10.921 1.00 0.00 C ATOM 491 CD GLU A 57 1.467 -9.493 -10.987 1.00 0.00 C ATOM 492 OE1 GLU A 57 1.788 -10.513 -11.638 1.00 0.00 O ATOM 493 OE2 GLU A 57 2.307 -8.800 -10.369 1.00 0.00 O ATOM 0 H GLU A 57 -2.003 -7.916 -9.647 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.547 -9.963 -11.331 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.573 -9.912 -9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.536 -11.090 -10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.423 -9.062 -11.928 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.092 -8.083 -10.512 1.00 0.00 H new ATOM 501 N GLN A 58 -2.998 -11.048 -8.216 1.00 0.00 N ATOM 502 CA GLN A 58 -3.603 -12.148 -7.454 1.00 0.00 C ATOM 503 C GLN A 58 -5.120 -11.974 -7.276 1.00 0.00 C ATOM 504 O GLN A 58 -5.825 -12.900 -6.861 1.00 0.00 O ATOM 505 CB GLN A 58 -2.921 -12.369 -6.093 1.00 0.00 C ATOM 506 CG GLN A 58 -1.465 -11.886 -5.980 1.00 0.00 C ATOM 507 CD GLN A 58 -1.432 -10.445 -5.485 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.515 -9.486 -6.251 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.424 -10.254 -4.181 1.00 0.00 N ATOM 0 H GLN A 58 -2.517 -10.352 -7.647 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.439 -13.043 -8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.510 -11.864 -5.328 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.948 -13.434 -5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.912 -12.528 -5.294 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.973 -11.958 -6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.355 -11.052 -3.549 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.487 -9.308 -3.804 1.00 0.00 H new ATOM 518 N GLY A 59 -5.647 -10.788 -7.566 1.00 0.00 N ATOM 519 CA GLY A 59 -7.066 -10.510 -7.591 1.00 0.00 C ATOM 520 C GLY A 59 -7.575 -9.699 -6.392 1.00 0.00 C ATOM 521 O GLY A 59 -8.786 -9.543 -6.245 1.00 0.00 O ATOM 0 H GLY A 59 -5.076 -9.975 -7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.301 -9.968 -8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.608 -11.455 -7.631 1.00 0.00 H new ATOM 525 N ILE A 60 -6.697 -9.241 -5.496 1.00 0.00 N ATOM 526 CA ILE A 60 -7.034 -8.696 -4.177 1.00 0.00 C ATOM 527 C ILE A 60 -6.137 -7.507 -3.833 1.00 0.00 C ATOM 528 O ILE A 60 -4.969 -7.469 -4.234 1.00 0.00 O ATOM 529 CB ILE A 60 -6.909 -9.782 -3.077 1.00 0.00 C ATOM 530 CG1 ILE A 60 -5.621 -10.625 -3.259 1.00 0.00 C ATOM 531 CG2 ILE A 60 -8.160 -10.679 -3.072 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.251 -11.451 -2.030 1.00 0.00 C ATOM 0 H ILE A 60 -5.693 -9.239 -5.676 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.069 -8.357 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.836 -9.282 -2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.752 -11.294 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.793 -9.959 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.061 -11.438 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.043 -10.071 -2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.264 -11.164 -4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.340 -12.014 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.087 -10.787 -1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.061 -12.142 -1.799 1.00 0.00 H new ATOM 544 N VAL A 61 -6.661 -6.560 -3.052 1.00 0.00 N ATOM 545 CA VAL A 61 -5.993 -5.303 -2.743 1.00 0.00 C ATOM 546 C VAL A 61 -6.081 -4.996 -1.238 1.00 0.00 C ATOM 547 O VAL A 61 -7.170 -5.111 -0.666 1.00 0.00 O ATOM 548 CB VAL A 61 -6.552 -4.167 -3.616 1.00 0.00 C ATOM 549 CG1 VAL A 61 -6.539 -4.541 -5.105 1.00 0.00 C ATOM 550 CG2 VAL A 61 -7.976 -3.731 -3.246 1.00 0.00 C ATOM 0 H VAL A 61 -7.576 -6.651 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.933 -5.394 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.884 -3.328 -3.422 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.941 -3.715 -5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.516 -4.745 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.151 -5.429 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.294 -2.927 -3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.655 -4.578 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.992 -3.379 -2.215 1.00 0.00 H new ATOM 560 N PRO A 62 -4.965 -4.641 -0.577 1.00 0.00 N ATOM 561 CA PRO A 62 -4.925 -4.307 0.845 1.00 0.00 C ATOM 562 C PRO A 62 -5.651 -2.996 1.143 1.00 0.00 C ATOM 563 O PRO A 62 -5.805 -2.129 0.284 1.00 0.00 O ATOM 564 CB PRO A 62 -3.448 -4.239 1.195 1.00 0.00 C ATOM 565 CG PRO A 62 -2.696 -4.030 -0.107 1.00 0.00 C ATOM 566 CD PRO A 62 -3.674 -4.416 -1.207 1.00 0.00 C ATOM 0 HA PRO A 62 -5.443 -5.051 1.450 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.253 -3.422 1.889 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.124 -5.157 1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.375 -2.994 -0.213 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.798 -4.647 -0.145 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.743 -3.626 -1.954 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.336 -5.314 -1.724 1.00 0.00 H new ATOM 574 N CYS A 63 -6.048 -2.844 2.402 1.00 0.00 N ATOM 575 CA CYS A 63 -6.570 -1.616 2.972 1.00 0.00 C ATOM 576 C CYS A 63 -5.356 -0.780 3.361 1.00 0.00 C ATOM 577 O CYS A 63 -4.710 -1.057 4.373 1.00 0.00 O ATOM 578 CB CYS A 63 -7.457 -1.944 4.182 1.00 0.00 C ATOM 579 SG CYS A 63 -8.141 -0.503 5.043 1.00 0.00 S ATOM 0 H CYS A 63 -6.012 -3.607 3.078 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.195 -1.064 2.270 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.281 -2.575 3.849 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.874 -2.530 4.893 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.898 0.571 4.352 1.00 0.00 H new ATOM 585 N LEU A 64 -4.970 0.186 2.531 1.00 0.00 N ATOM 586 CA LEU A 64 -3.949 1.177 2.854 1.00 0.00 C ATOM 587 C LEU A 64 -4.694 2.466 3.152 1.00 0.00 C ATOM 588 O LEU A 64 -5.412 2.957 2.284 1.00 0.00 O ATOM 589 CB LEU A 64 -2.971 1.358 1.685 1.00 0.00 C ATOM 590 CG LEU A 64 -2.054 0.137 1.463 1.00 0.00 C ATOM 591 CD1 LEU A 64 -1.802 -0.152 -0.020 1.00 0.00 C ATOM 592 CD2 LEU A 64 -0.701 0.360 2.147 1.00 0.00 C ATOM 0 H LEU A 64 -5.366 0.303 1.598 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.348 0.865 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.537 1.550 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.355 2.238 1.869 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.572 -0.719 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.151 -1.021 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.751 -0.353 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.325 0.712 -0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.063 -0.508 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.223 1.246 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.853 0.502 3.217 1.00 0.00 H new ATOM 604 N THR A 65 -4.562 2.992 4.367 1.00 0.00 N ATOM 605 CA THR A 65 -5.296 4.188 4.778 1.00 0.00 C ATOM 606 C THR A 65 -4.481 5.438 4.432 1.00 0.00 C ATOM 607 O THR A 65 -3.286 5.323 4.148 1.00 0.00 O ATOM 608 CB THR A 65 -5.654 4.111 6.272 1.00 0.00 C ATOM 609 OG1 THR A 65 -4.586 4.542 7.077 1.00 0.00 O ATOM 610 CG2 THR A 65 -6.050 2.705 6.753 1.00 0.00 C ATOM 0 H THR A 65 -3.951 2.608 5.088 1.00 0.00 H new ATOM 0 HA THR A 65 -6.238 4.249 4.232 1.00 0.00 H new ATOM 0 HB THR A 65 -6.519 4.767 6.373 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.936 5.028 7.852 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.287 2.738 7.816 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.923 2.363 6.197 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.221 2.017 6.587 1.00 0.00 H new ATOM 618 N ARG A 66 -5.046 6.655 4.531 1.00 0.00 N ATOM 619 CA ARG A 66 -4.209 7.846 4.411 1.00 0.00 C ATOM 620 C ARG A 66 -3.089 7.829 5.437 1.00 0.00 C ATOM 621 O ARG A 66 -1.962 8.174 5.090 1.00 0.00 O ATOM 622 CB ARG A 66 -5.038 9.122 4.557 1.00 0.00 C ATOM 623 CG ARG A 66 -4.164 10.344 4.233 1.00 0.00 C ATOM 624 CD ARG A 66 -4.980 11.576 3.831 1.00 0.00 C ATOM 625 NE ARG A 66 -4.827 12.733 4.738 1.00 0.00 N ATOM 626 CZ ARG A 66 -5.413 12.894 5.933 1.00 0.00 C ATOM 627 NH1 ARG A 66 -6.052 11.868 6.482 1.00 0.00 N ATOM 628 NH2 ARG A 66 -5.382 14.068 6.558 1.00 0.00 N ATOM 0 H ARG A 66 -6.039 6.830 4.687 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.767 7.836 3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.897 9.088 3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -5.428 9.200 5.572 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.554 10.588 5.103 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.479 10.089 3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.688 11.878 2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.034 11.300 3.788 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.214 13.485 4.423 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.092 10.973 5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.503 11.975 7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.907 14.862 6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.833 14.174 7.467 1.00 0.00 H new ATOM 642 N ALA A 67 -3.391 7.407 6.669 1.00 0.00 N ATOM 643 CA ALA A 67 -2.388 7.372 7.709 1.00 0.00 C ATOM 644 C ALA A 67 -1.267 6.422 7.325 1.00 0.00 C ATOM 645 O ALA A 67 -0.113 6.726 7.584 1.00 0.00 O ATOM 646 CB ALA A 67 -2.967 6.917 9.047 1.00 0.00 C ATOM 0 H ALA A 67 -4.317 7.090 6.957 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.009 8.388 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.179 6.905 9.800 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.754 7.605 9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.383 5.915 8.942 1.00 0.00 H new ATOM 652 N GLN A 68 -1.590 5.258 6.762 1.00 0.00 N ATOM 653 CA GLN A 68 -0.610 4.246 6.384 1.00 0.00 C ATOM 654 C GLN A 68 0.295 4.801 5.290 1.00 0.00 C ATOM 655 O GLN A 68 1.515 4.804 5.416 1.00 0.00 O ATOM 656 CB GLN A 68 -1.355 2.986 5.918 1.00 0.00 C ATOM 657 CG GLN A 68 -2.149 2.323 7.051 1.00 0.00 C ATOM 658 CD GLN A 68 -1.307 1.520 8.038 1.00 0.00 C ATOM 659 OE1 GLN A 68 -0.150 1.810 8.336 1.00 0.00 O ATOM 660 NE2 GLN A 68 -1.915 0.494 8.605 1.00 0.00 N ATOM 0 H GLN A 68 -2.552 4.990 6.554 1.00 0.00 H new ATOM 0 HA GLN A 68 0.018 3.981 7.234 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.034 3.248 5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.638 2.271 5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.687 3.096 7.599 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.898 1.663 6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.875 0.265 8.348 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.424 -0.069 9.300 1.00 0.00 H new ATOM 669 N LEU A 69 -0.294 5.360 4.236 1.00 0.00 N ATOM 670 CA LEU A 69 0.476 5.913 3.129 1.00 0.00 C ATOM 671 C LEU A 69 1.387 7.030 3.631 1.00 0.00 C ATOM 672 O LEU A 69 2.591 7.017 3.376 1.00 0.00 O ATOM 673 CB LEU A 69 -0.455 6.396 2.016 1.00 0.00 C ATOM 674 CG LEU A 69 -1.367 5.280 1.492 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.435 5.865 0.571 1.00 0.00 C ATOM 676 CD2 LEU A 69 -0.601 4.154 0.822 1.00 0.00 C ATOM 0 H LEU A 69 -1.305 5.441 4.127 1.00 0.00 H new ATOM 0 HA LEU A 69 1.108 5.131 2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.067 7.217 2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.141 6.791 1.193 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.857 4.828 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.077 5.064 0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.035 6.588 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.956 6.361 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.301 3.395 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.041 4.549 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.090 3.708 1.537 1.00 0.00 H new ATOM 688 N ALA A 70 0.837 7.980 4.383 1.00 0.00 N ATOM 689 CA ALA A 70 1.622 9.057 4.958 1.00 0.00 C ATOM 690 C ALA A 70 2.596 8.557 6.035 1.00 0.00 C ATOM 691 O ALA A 70 3.531 9.287 6.379 1.00 0.00 O ATOM 692 CB ALA A 70 0.680 10.107 5.532 1.00 0.00 C ATOM 0 H ALA A 70 -0.157 8.021 4.607 1.00 0.00 H new ATOM 0 HA ALA A 70 2.231 9.495 4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.262 10.920 5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.045 10.499 4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.057 9.654 6.304 1.00 0.00 H new ATOM 698 N SER A 71 2.422 7.340 6.559 1.00 0.00 N ATOM 699 CA SER A 71 3.380 6.717 7.477 1.00 0.00 C ATOM 700 C SER A 71 4.628 6.323 6.684 1.00 0.00 C ATOM 701 O SER A 71 5.736 6.436 7.196 1.00 0.00 O ATOM 702 CB SER A 71 2.720 5.533 8.209 1.00 0.00 C ATOM 703 OG SER A 71 3.471 4.990 9.280 1.00 0.00 O ATOM 0 H SER A 71 1.610 6.757 6.358 1.00 0.00 H new ATOM 0 HA SER A 71 3.690 7.415 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.753 5.858 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.526 4.742 7.485 1.00 0.00 H new ATOM 0 HG SER A 71 2.975 4.248 9.684 1.00 0.00 H new ATOM 709 N MET A 72 4.474 5.950 5.410 1.00 0.00 N ATOM 710 CA MET A 72 5.583 5.721 4.480 1.00 0.00 C ATOM 711 C MET A 72 6.167 7.040 3.959 1.00 0.00 C ATOM 712 O MET A 72 7.070 7.014 3.132 1.00 0.00 O ATOM 713 CB MET A 72 5.151 4.891 3.258 1.00 0.00 C ATOM 714 CG MET A 72 3.899 4.054 3.393 1.00 0.00 C ATOM 715 SD MET A 72 3.985 2.455 2.580 1.00 0.00 S ATOM 716 CE MET A 72 2.262 2.408 2.121 1.00 0.00 C ATOM 0 H MET A 72 3.558 5.796 4.989 1.00 0.00 H new ATOM 0 HA MET A 72 6.334 5.175 5.051 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.011 5.573 2.420 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.974 4.226 2.994 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.693 3.899 4.452 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.057 4.612 2.983 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.954 1.374 1.968 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.662 2.851 2.916 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.116 2.971 1.199 1.00 0.00 H new ATOM 726 N GLY A 73 5.604 8.197 4.323 1.00 0.00 N ATOM 727 CA GLY A 73 6.032 9.465 3.758 1.00 0.00 C ATOM 728 C GLY A 73 5.430 9.700 2.376 1.00 0.00 C ATOM 729 O GLY A 73 5.927 10.564 1.645 1.00 0.00 O ATOM 0 H GLY A 73 4.851 8.273 5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.741 10.277 4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.120 9.484 3.689 1.00 0.00 H new ATOM 733 N LEU A 74 4.373 8.968 1.982 1.00 0.00 N ATOM 734 CA LEU A 74 3.623 9.345 0.793 1.00 0.00 C ATOM 735 C LEU A 74 3.140 10.792 0.970 1.00 0.00 C ATOM 736 O LEU A 74 2.644 11.169 2.032 1.00 0.00 O ATOM 737 CB LEU A 74 2.459 8.393 0.473 1.00 0.00 C ATOM 738 CG LEU A 74 1.510 8.994 -0.586 1.00 0.00 C ATOM 739 CD1 LEU A 74 1.148 8.064 -1.723 1.00 0.00 C ATOM 740 CD2 LEU A 74 0.264 9.568 0.084 1.00 0.00 C ATOM 0 H LEU A 74 4.033 8.135 2.462 1.00 0.00 H new ATOM 0 HA LEU A 74 4.285 9.269 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.853 7.443 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.900 8.181 1.385 1.00 0.00 H new ATOM 0 HG LEU A 74 2.073 9.796 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.479 8.577 -2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.054 7.765 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.651 7.179 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.396 9.988 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.258 8.776 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.555 10.350 0.785 1.00 0.00 H new ATOM 752 N ASN A 75 3.229 11.583 -0.096 1.00 0.00 N ATOM 753 CA ASN A 75 2.674 12.921 -0.139 1.00 0.00 C ATOM 754 C ASN A 75 1.165 12.897 -0.395 1.00 0.00 C ATOM 755 O ASN A 75 0.746 12.760 -1.544 1.00 0.00 O ATOM 756 CB ASN A 75 3.352 13.699 -1.266 1.00 0.00 C ATOM 757 CG ASN A 75 3.170 15.183 -1.037 1.00 0.00 C ATOM 758 OD1 ASN A 75 2.219 15.614 -0.385 1.00 0.00 O ATOM 759 ND2 ASN A 75 4.114 15.965 -1.513 1.00 0.00 N ATOM 0 H ASN A 75 3.694 11.305 -0.960 1.00 0.00 H new ATOM 0 HA ASN A 75 2.850 13.395 0.827 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.413 13.454 -1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.925 13.414 -2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.075 16.971 -1.347 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.885 15.566 -2.049 1.00 0.00 H new ATOM 766 N THR A 76 0.319 13.025 0.625 1.00 0.00 N ATOM 767 CA THR A 76 -1.130 13.054 0.416 1.00 0.00 C ATOM 768 C THR A 76 -1.553 14.253 -0.441 1.00 0.00 C ATOM 769 O THR A 76 -2.535 14.144 -1.174 1.00 0.00 O ATOM 770 CB THR A 76 -1.859 13.021 1.764 1.00 0.00 C ATOM 771 OG1 THR A 76 -1.625 14.168 2.557 1.00 0.00 O ATOM 772 CG2 THR A 76 -1.457 11.783 2.563 1.00 0.00 C ATOM 0 H THR A 76 0.608 13.110 1.600 1.00 0.00 H new ATOM 0 HA THR A 76 -1.417 12.162 -0.142 1.00 0.00 H new ATOM 0 HB THR A 76 -2.922 12.995 1.524 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.117 14.088 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.985 11.778 3.516 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.716 10.886 2.000 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.382 11.800 2.744 1.00 0.00 H new ATOM 780 N ALA A 77 -0.814 15.369 -0.399 1.00 0.00 N ATOM 781 CA ALA A 77 -1.137 16.551 -1.180 1.00 0.00 C ATOM 782 C ALA A 77 -0.795 16.376 -2.659 1.00 0.00 C ATOM 783 O ALA A 77 -1.336 17.126 -3.474 1.00 0.00 O ATOM 784 CB ALA A 77 -0.388 17.766 -0.631 1.00 0.00 C ATOM 0 H ALA A 77 0.021 15.469 0.178 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.213 16.704 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.638 18.646 -1.224 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.677 17.934 0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.686 17.586 -0.684 1.00 0.00 H new ATOM 790 N SER A 78 0.067 15.419 -3.035 1.00 0.00 N ATOM 791 CA SER A 78 0.375 15.242 -4.448 1.00 0.00 C ATOM 792 C SER A 78 -0.808 14.633 -5.198 1.00 0.00 C ATOM 793 O SER A 78 -0.799 14.669 -6.427 1.00 0.00 O ATOM 794 CB SER A 78 1.639 14.400 -4.626 1.00 0.00 C ATOM 795 OG SER A 78 2.732 15.109 -4.085 1.00 0.00 O ATOM 0 H SER A 78 0.545 14.780 -2.400 1.00 0.00 H new ATOM 0 HA SER A 78 0.564 16.225 -4.878 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.527 13.438 -4.125 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.809 14.191 -5.682 1.00 0.00 H new ATOM 0 HG SER A 78 3.550 14.580 -4.191 1.00 0.00 H new ATOM 801 N VAL A 79 -1.812 14.106 -4.485 1.00 0.00 N ATOM 802 CA VAL A 79 -2.931 13.400 -5.062 1.00 0.00 C ATOM 803 C VAL A 79 -4.182 14.209 -4.748 1.00 0.00 C ATOM 804 O VAL A 79 -4.707 14.146 -3.625 1.00 0.00 O ATOM 805 CB VAL A 79 -2.963 11.973 -4.488 1.00 0.00 C ATOM 806 CG1 VAL A 79 -3.925 11.080 -5.268 1.00 0.00 C ATOM 807 CG2 VAL A 79 -1.567 11.339 -4.474 1.00 0.00 C ATOM 0 H VAL A 79 -1.857 14.168 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.857 13.297 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.317 12.056 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.923 10.079 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.931 11.496 -5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.608 11.026 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.629 10.332 -4.062 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.179 11.292 -5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.900 11.942 -3.859 1.00 0.00 H new ATOM 817 N ALA A 80 -4.667 14.969 -5.733 1.00 0.00 N ATOM 818 CA ALA A 80 -6.048 15.417 -5.718 1.00 0.00 C ATOM 819 C ALA A 80 -6.898 14.164 -5.534 1.00 0.00 C ATOM 820 O ALA A 80 -6.793 13.225 -6.320 1.00 0.00 O ATOM 821 CB ALA A 80 -6.401 16.133 -7.021 1.00 0.00 C ATOM 0 H ALA A 80 -4.125 15.280 -6.539 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.224 16.133 -4.915 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.440 16.460 -6.987 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.752 17.000 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.262 15.451 -7.860 1.00 0.00 H new ATOM 827 N GLY A 81 -7.659 14.113 -4.444 1.00 0.00 N ATOM 828 CA GLY A 81 -8.446 12.947 -4.087 1.00 0.00 C ATOM 829 C GLY A 81 -7.891 12.150 -2.908 1.00 0.00 C ATOM 830 O GLY A 81 -8.583 11.255 -2.434 1.00 0.00 O ATOM 0 H GLY A 81 -7.744 14.886 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.460 13.267 -3.849 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.515 12.290 -4.954 1.00 0.00 H new ATOM 834 N MET A 82 -6.702 12.454 -2.362 1.00 0.00 N ATOM 835 CA MET A 82 -6.217 11.751 -1.170 1.00 0.00 C ATOM 836 C MET A 82 -6.340 12.597 0.074 1.00 0.00 C ATOM 837 O MET A 82 -6.659 12.102 1.156 1.00 0.00 O ATOM 838 CB MET A 82 -4.780 11.280 -1.335 1.00 0.00 C ATOM 839 CG MET A 82 -4.478 10.301 -0.195 1.00 0.00 C ATOM 840 SD MET A 82 -3.011 9.273 -0.393 1.00 0.00 S ATOM 841 CE MET A 82 -3.293 8.588 -2.043 1.00 0.00 C ATOM 0 H MET A 82 -6.071 13.170 -2.722 1.00 0.00 H new ATOM 0 HA MET A 82 -6.855 10.875 -1.053 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.645 10.795 -2.302 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.094 12.126 -1.304 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.374 10.872 0.728 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.340 9.646 -0.069 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.535 7.835 -2.259 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.281 8.130 -2.083 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.233 9.386 -2.783 1.00 0.00 H new ATOM 851 N ASN A 83 -6.091 13.889 -0.062 1.00 0.00 N ATOM 852 CA ASN A 83 -6.017 14.763 1.085 1.00 0.00 C ATOM 853 C ASN A 83 -7.381 15.187 1.641 1.00 0.00 C ATOM 854 O ASN A 83 -7.485 16.186 2.348 1.00 0.00 O ATOM 855 CB ASN A 83 -5.118 15.943 0.730 1.00 0.00 C ATOM 856 CG ASN A 83 -5.783 16.995 -0.145 1.00 0.00 C ATOM 857 OD1 ASN A 83 -5.706 16.934 -1.365 1.00 0.00 O ATOM 858 ND2 ASN A 83 -6.432 17.976 0.452 1.00 0.00 N ATOM 0 H ASN A 83 -5.937 14.351 -0.958 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.578 14.208 1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.778 16.416 1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.232 15.568 0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.882 18.703 -0.105 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.484 18.008 1.470 1.00 0.00 H new ATOM 865 N LEU A 84 -8.441 14.450 1.315 1.00 0.00 N ATOM 866 CA LEU A 84 -9.826 14.711 1.677 1.00 0.00 C ATOM 867 C LEU A 84 -10.554 13.432 2.149 1.00 0.00 C ATOM 868 O LEU A 84 -11.783 13.446 2.252 1.00 0.00 O ATOM 869 CB LEU A 84 -10.573 15.421 0.531 1.00 0.00 C ATOM 870 CG LEU A 84 -10.247 14.938 -0.891 1.00 0.00 C ATOM 871 CD1 LEU A 84 -8.917 15.533 -1.370 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.251 13.410 -1.002 1.00 0.00 C ATOM 0 H LEU A 84 -8.346 13.602 0.756 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.821 15.389 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.644 15.304 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.356 16.488 0.589 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.040 15.297 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.703 15.180 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.985 16.621 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.116 15.222 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.015 13.119 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.504 12.994 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.236 13.028 -0.734 1.00 0.00 H new ATOM 884 N LEU A 85 -9.853 12.308 2.351 1.00 0.00 N ATOM 885 CA LEU A 85 -10.416 11.013 2.766 1.00 0.00 C ATOM 886 C LEU A 85 -9.926 10.549 4.132 1.00 0.00 C ATOM 887 O LEU A 85 -9.245 11.301 4.839 1.00 0.00 O ATOM 888 CB LEU A 85 -10.322 9.957 1.660 1.00 0.00 C ATOM 889 CG LEU A 85 -8.934 9.811 1.040 1.00 0.00 C ATOM 890 CD1 LEU A 85 -7.973 9.321 2.112 1.00 0.00 C ATOM 891 CD2 LEU A 85 -8.873 8.855 -0.132 1.00 0.00 C ATOM 0 H LEU A 85 -8.841 12.273 2.226 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.484 11.172 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -10.627 8.993 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.033 10.209 0.873 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.663 10.794 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.976 9.212 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -7.940 10.042 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.313 8.358 2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -7.852 8.810 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.183 7.862 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.539 9.204 -0.921 1.00 0.00 H new ATOM 903 N ALA A 86 -10.351 9.350 4.541 1.00 0.00 N ATOM 904 CA ALA A 86 -10.215 8.939 5.920 1.00 0.00 C ATOM 905 C ALA A 86 -8.803 8.458 6.280 1.00 0.00 C ATOM 906 O ALA A 86 -8.019 8.023 5.430 1.00 0.00 O ATOM 907 CB ALA A 86 -11.250 7.871 6.283 1.00 0.00 C ATOM 0 H ALA A 86 -10.788 8.658 3.932 1.00 0.00 H new ATOM 0 HA ALA A 86 -10.400 9.834 6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.123 7.581 7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.253 8.272 6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.112 6.998 5.645 1.00 0.00 H new ATOM 913 N ASP A 87 -8.513 8.457 7.580 1.00 0.00 N ATOM 914 CA ASP A 87 -7.285 7.903 8.151 1.00 0.00 C ATOM 915 C ASP A 87 -7.403 6.403 8.389 1.00 0.00 C ATOM 916 O ASP A 87 -6.393 5.770 8.690 1.00 0.00 O ATOM 917 CB ASP A 87 -6.925 8.620 9.458 1.00 0.00 C ATOM 918 CG ASP A 87 -6.190 9.925 9.178 1.00 0.00 C ATOM 919 OD1 ASP A 87 -6.869 10.937 8.899 1.00 0.00 O ATOM 920 OD2 ASP A 87 -4.940 9.934 9.144 1.00 0.00 O ATOM 0 H ASP A 87 -9.139 8.850 8.282 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.486 8.065 7.427 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.832 8.824 10.027 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.301 7.972 10.073 1.00 0.00 H new ATOM 926 N ASP A 88 -8.578 5.797 8.189 1.00 0.00 N ATOM 927 CA ASP A 88 -8.793 4.353 8.231 1.00 0.00 C ATOM 928 C ASP A 88 -9.410 3.874 6.910 1.00 0.00 C ATOM 929 O ASP A 88 -10.097 2.850 6.830 1.00 0.00 O ATOM 930 CB ASP A 88 -9.795 4.108 9.367 1.00 0.00 C ATOM 931 CG ASP A 88 -11.252 4.341 8.951 1.00 0.00 C ATOM 932 OD1 ASP A 88 -11.523 5.334 8.239 1.00 0.00 O ATOM 933 OD2 ASP A 88 -12.118 3.490 9.258 1.00 0.00 O ATOM 0 H ASP A 88 -9.431 6.318 7.987 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.855 3.819 8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.686 3.084 9.724 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.554 4.765 10.203 1.00 0.00 H new ATOM 939 N ALA A 89 -9.002 4.524 5.824 1.00 0.00 N ATOM 940 CA ALA A 89 -9.665 4.362 4.549 1.00 0.00 C ATOM 941 C ALA A 89 -9.161 3.110 3.845 1.00 0.00 C ATOM 942 O ALA A 89 -8.014 2.706 4.030 1.00 0.00 O ATOM 943 CB ALA A 89 -9.369 5.601 3.696 1.00 0.00 C ATOM 0 H ALA A 89 -8.212 5.169 5.809 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.739 4.255 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.859 5.502 2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.744 6.490 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.293 5.693 3.550 1.00 0.00 H new ATOM 949 N CYS A 90 -9.964 2.577 2.932 1.00 0.00 N ATOM 950 CA CYS A 90 -9.427 1.809 1.823 1.00 0.00 C ATOM 951 C CYS A 90 -9.097 2.839 0.749 1.00 0.00 C ATOM 952 O CYS A 90 -9.951 3.152 -0.084 1.00 0.00 O ATOM 953 CB CYS A 90 -10.448 0.769 1.357 1.00 0.00 C ATOM 954 SG CYS A 90 -10.880 -0.449 2.630 1.00 0.00 S ATOM 0 H CYS A 90 -10.980 2.663 2.939 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.537 1.239 2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.354 1.282 1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.050 0.247 0.487 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.930 -0.507 3.516 1.00 0.00 H new ATOM 960 N VAL A 91 -7.931 3.484 0.830 1.00 0.00 N ATOM 961 CA VAL A 91 -7.515 4.411 -0.216 1.00 0.00 C ATOM 962 C VAL A 91 -7.307 3.555 -1.470 1.00 0.00 C ATOM 963 O VAL A 91 -6.709 2.478 -1.378 1.00 0.00 O ATOM 964 CB VAL A 91 -6.238 5.177 0.185 1.00 0.00 C ATOM 965 CG1 VAL A 91 -5.831 6.213 -0.870 1.00 0.00 C ATOM 966 CG2 VAL A 91 -6.439 5.928 1.507 1.00 0.00 C ATOM 0 H VAL A 91 -7.269 3.382 1.599 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.265 5.182 -0.392 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.456 4.424 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.927 6.728 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.641 5.711 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.635 6.938 -0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.523 6.459 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.255 6.642 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.682 5.217 2.296 1.00 0.00 H new ATOM 976 N PRO A 92 -7.768 3.982 -2.654 1.00 0.00 N ATOM 977 CA PRO A 92 -7.540 3.242 -3.882 1.00 0.00 C ATOM 978 C PRO A 92 -6.140 3.568 -4.383 1.00 0.00 C ATOM 979 O PRO A 92 -5.965 4.181 -5.437 1.00 0.00 O ATOM 980 CB PRO A 92 -8.645 3.685 -4.822 1.00 0.00 C ATOM 981 CG PRO A 92 -8.813 5.147 -4.433 1.00 0.00 C ATOM 982 CD PRO A 92 -8.524 5.189 -2.932 1.00 0.00 C ATOM 0 HA PRO A 92 -7.576 2.158 -3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.363 3.570 -5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.562 3.114 -4.674 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.124 5.785 -4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.820 5.501 -4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.955 6.080 -2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.448 5.216 -2.354 1.00 0.00 H new ATOM 990 N LEU A 93 -5.141 3.225 -3.575 1.00 0.00 N ATOM 991 CA LEU A 93 -3.760 3.641 -3.711 1.00 0.00 C ATOM 992 C LEU A 93 -3.263 3.411 -5.132 1.00 0.00 C ATOM 993 O LEU A 93 -2.662 4.303 -5.718 1.00 0.00 O ATOM 994 CB LEU A 93 -2.943 2.894 -2.643 1.00 0.00 C ATOM 995 CG LEU A 93 -1.441 3.216 -2.555 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.573 2.367 -3.473 1.00 0.00 C ATOM 997 CD2 LEU A 93 -1.126 4.708 -2.704 1.00 0.00 C ATOM 0 H LEU A 93 -5.287 2.618 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.649 4.712 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.390 3.099 -1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.049 1.824 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.172 2.938 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.472 2.653 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.692 1.315 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.876 2.524 -4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.049 4.862 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.478 5.059 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.626 5.266 -1.912 1.00 0.00 H new ATOM 1009 N THR A 94 -3.585 2.258 -5.704 1.00 0.00 N ATOM 1010 CA THR A 94 -3.078 1.806 -6.988 1.00 0.00 C ATOM 1011 C THR A 94 -3.857 2.395 -8.175 1.00 0.00 C ATOM 1012 O THR A 94 -3.517 2.109 -9.325 1.00 0.00 O ATOM 1013 CB THR A 94 -3.095 0.269 -6.952 1.00 0.00 C ATOM 1014 OG1 THR A 94 -4.374 -0.159 -6.507 1.00 0.00 O ATOM 1015 CG2 THR A 94 -2.025 -0.250 -5.982 1.00 0.00 C ATOM 0 H THR A 94 -4.226 1.593 -5.272 1.00 0.00 H new ATOM 0 HA THR A 94 -2.061 2.164 -7.147 1.00 0.00 H new ATOM 0 HB THR A 94 -2.887 -0.120 -7.949 1.00 0.00 H new ATOM 0 HG1 THR A 94 -4.335 -0.365 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.047 -1.340 -5.965 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.042 0.088 -6.310 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.225 0.132 -4.981 1.00 0.00 H new ATOM 1023 N THR A 95 -4.893 3.212 -7.942 1.00 0.00 N ATOM 1024 CA THR A 95 -5.678 3.864 -8.986 1.00 0.00 C ATOM 1025 C THR A 95 -5.536 5.382 -8.862 1.00 0.00 C ATOM 1026 O THR A 95 -5.373 6.076 -9.870 1.00 0.00 O ATOM 1027 CB THR A 95 -7.133 3.375 -8.868 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.196 1.961 -8.868 1.00 0.00 O ATOM 1029 CG2 THR A 95 -8.024 3.865 -10.003 1.00 0.00 C ATOM 0 H THR A 95 -5.211 3.440 -7.000 1.00 0.00 H new ATOM 0 HA THR A 95 -5.319 3.604 -9.982 1.00 0.00 H new ATOM 0 HB THR A 95 -7.495 3.787 -7.926 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.130 1.675 -8.790 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.036 3.486 -9.861 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.042 4.955 -10.007 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.632 3.505 -10.954 1.00 0.00 H new ATOM 1037 N MET A 96 -5.539 5.902 -7.634 1.00 0.00 N ATOM 1038 CA MET A 96 -5.264 7.299 -7.344 1.00 0.00 C ATOM 1039 C MET A 96 -3.780 7.632 -7.498 1.00 0.00 C ATOM 1040 O MET A 96 -3.457 8.794 -7.739 1.00 0.00 O ATOM 1041 CB MET A 96 -5.761 7.631 -5.931 1.00 0.00 C ATOM 1042 CG MET A 96 -7.068 8.422 -6.014 1.00 0.00 C ATOM 1043 SD MET A 96 -8.026 8.552 -4.483 1.00 0.00 S ATOM 1044 CE MET A 96 -6.697 8.915 -3.320 1.00 0.00 C ATOM 0 H MET A 96 -5.737 5.348 -6.801 1.00 0.00 H new ATOM 0 HA MET A 96 -5.798 7.914 -8.068 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.916 6.712 -5.365 1.00 0.00 H new ATOM 0 HB3 MET A 96 -5.008 8.211 -5.397 1.00 0.00 H new ATOM 0 HG2 MET A 96 -6.837 9.430 -6.359 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.699 7.961 -6.774 1.00 0.00 H new ATOM 0 HE1 MET A 96 -7.119 9.320 -2.400 1.00 0.00 H new ATOM 0 HE2 MET A 96 -6.149 8.000 -3.096 1.00 0.00 H new ATOM 0 HE3 MET A 96 -6.018 9.645 -3.760 1.00 0.00 H new ATOM 1054 N VAL A 97 -2.886 6.649 -7.416 1.00 0.00 N ATOM 1055 CA VAL A 97 -1.489 6.789 -7.784 1.00 0.00 C ATOM 1056 C VAL A 97 -1.250 5.743 -8.862 1.00 0.00 C ATOM 1057 O VAL A 97 -1.387 4.544 -8.618 1.00 0.00 O ATOM 1058 CB VAL A 97 -0.552 6.658 -6.566 1.00 0.00 C ATOM 1059 CG1 VAL A 97 0.881 7.002 -6.994 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -1.002 7.574 -5.416 1.00 0.00 C ATOM 0 H VAL A 97 -3.123 5.714 -7.084 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.263 7.784 -8.167 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.590 5.631 -6.202 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.548 6.911 -6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.201 6.316 -7.778 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.912 8.024 -7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.322 7.459 -4.572 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.992 8.611 -5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.012 7.302 -5.108 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.982 6.211 -10.076 1.00 0.00 N ATOM 1071 CA GLN A 98 -0.520 5.357 -11.152 1.00 0.00 C ATOM 1072 C GLN A 98 0.906 4.899 -10.843 1.00 0.00 C ATOM 1073 O GLN A 98 1.566 5.476 -9.979 1.00 0.00 O ATOM 1074 CB GLN A 98 -0.598 6.152 -12.464 1.00 0.00 C ATOM 1075 CG GLN A 98 -0.867 5.207 -13.636 1.00 0.00 C ATOM 1076 CD GLN A 98 -1.049 5.932 -14.963 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -1.371 7.113 -15.037 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -0.863 5.212 -16.047 1.00 0.00 N ATOM 0 H GLN A 98 -1.080 7.192 -10.337 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.141 4.467 -11.252 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.390 6.898 -12.399 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.335 6.691 -12.628 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.039 4.504 -13.724 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.761 4.621 -13.424 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.595 4.231 -15.968 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.986 5.634 -16.967 1.00 0.00 H new ATOM 1087 N ASP A 99 1.389 3.872 -11.548 1.00 0.00 N ATOM 1088 CA ASP A 99 2.725 3.261 -11.443 1.00 0.00 C ATOM 1089 C ASP A 99 2.890 2.449 -10.146 1.00 0.00 C ATOM 1090 O ASP A 99 3.517 1.384 -10.140 1.00 0.00 O ATOM 1091 CB ASP A 99 3.819 4.332 -11.608 1.00 0.00 C ATOM 1092 CG ASP A 99 5.184 3.768 -11.995 1.00 0.00 C ATOM 1093 OD1 ASP A 99 5.768 2.942 -11.264 1.00 0.00 O ATOM 1094 OD2 ASP A 99 5.716 4.188 -13.049 1.00 0.00 O ATOM 0 H ASP A 99 0.820 3.411 -12.258 1.00 0.00 H new ATOM 0 HA ASP A 99 2.835 2.546 -12.258 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.503 5.046 -12.369 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.917 4.884 -10.673 1.00 0.00 H new ATOM 1100 N ALA A 100 2.222 2.887 -9.075 1.00 0.00 N ATOM 1101 CA ALA A 100 2.102 2.225 -7.789 1.00 0.00 C ATOM 1102 C ALA A 100 1.599 0.789 -7.937 1.00 0.00 C ATOM 1103 O ALA A 100 0.883 0.454 -8.889 1.00 0.00 O ATOM 1104 CB ALA A 100 1.122 3.005 -6.918 1.00 0.00 C ATOM 0 H ALA A 100 1.719 3.774 -9.093 1.00 0.00 H new ATOM 0 HA ALA A 100 3.091 2.194 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.026 2.514 -5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.491 4.021 -6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.148 3.038 -7.406 1.00 0.00 H new ATOM 1110 N THR A 101 1.905 -0.041 -6.945 1.00 0.00 N ATOM 1111 CA THR A 101 1.429 -1.418 -6.843 1.00 0.00 C ATOM 1112 C THR A 101 1.283 -1.797 -5.366 1.00 0.00 C ATOM 1113 O THR A 101 1.846 -1.125 -4.495 1.00 0.00 O ATOM 1114 CB THR A 101 2.389 -2.376 -7.588 1.00 0.00 C ATOM 1115 OG1 THR A 101 3.757 -2.100 -7.325 1.00 0.00 O ATOM 1116 CG2 THR A 101 2.200 -2.304 -9.101 1.00 0.00 C ATOM 0 H THR A 101 2.507 0.232 -6.168 1.00 0.00 H new ATOM 0 HA THR A 101 0.452 -1.506 -7.317 1.00 0.00 H new ATOM 0 HB THR A 101 2.136 -3.368 -7.214 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.319 -2.734 -7.818 1.00 0.00 H new ATOM 0 HG21 THR A 101 2.892 -2.991 -9.587 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.176 -2.581 -9.353 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.396 -1.288 -9.444 1.00 0.00 H new ATOM 1124 N ALA A 102 0.544 -2.874 -5.083 1.00 0.00 N ATOM 1125 CA ALA A 102 0.283 -3.422 -3.761 1.00 0.00 C ATOM 1126 C ALA A 102 0.309 -4.957 -3.828 1.00 0.00 C ATOM 1127 O ALA A 102 -0.692 -5.629 -3.561 1.00 0.00 O ATOM 1128 CB ALA A 102 -1.047 -2.870 -3.226 1.00 0.00 C ATOM 0 H ALA A 102 0.088 -3.414 -5.818 1.00 0.00 H new ATOM 0 HA ALA A 102 1.060 -3.117 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -1.240 -3.282 -2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.991 -1.783 -3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.856 -3.152 -3.900 1.00 0.00 H new ATOM 1134 N HIS A 103 1.451 -5.504 -4.231 1.00 0.00 N ATOM 1135 CA HIS A 103 1.707 -6.924 -4.439 1.00 0.00 C ATOM 1136 C HIS A 103 1.919 -7.601 -3.075 1.00 0.00 C ATOM 1137 O HIS A 103 2.958 -7.401 -2.440 1.00 0.00 O ATOM 1138 CB HIS A 103 2.980 -6.985 -5.302 1.00 0.00 C ATOM 1139 CG HIS A 103 3.448 -8.339 -5.776 1.00 0.00 C ATOM 1140 ND1 HIS A 103 3.375 -9.545 -5.132 1.00 0.00 N flip ATOM 1141 CD2 HIS A 103 4.125 -8.550 -6.954 1.00 0.00 C flip ATOM 1142 CE1 HIS A 103 3.955 -10.505 -5.962 1.00 0.00 C flip ATOM 1143 NE2 HIS A 103 4.431 -9.848 -7.031 1.00 0.00 N flip ATOM 0 H HIS A 103 2.272 -4.933 -4.433 1.00 0.00 H new ATOM 0 HA HIS A 103 0.882 -7.440 -4.929 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.818 -6.361 -6.181 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.792 -6.531 -4.733 1.00 0.00 H new ATOM 0 HD2 HIS A 103 4.367 -7.797 -7.689 1.00 0.00 H new ATOM 0 HE1 HIS A 103 4.010 -11.568 -5.780 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.953 -10.279 -7.794 1.00 0.00 H new ATOM 1152 N LEU A 104 0.988 -8.454 -2.644 1.00 0.00 N ATOM 1153 CA LEU A 104 1.140 -9.297 -1.454 1.00 0.00 C ATOM 1154 C LEU A 104 2.037 -10.457 -1.894 1.00 0.00 C ATOM 1155 O LEU A 104 1.581 -11.377 -2.573 1.00 0.00 O ATOM 1156 CB LEU A 104 -0.238 -9.739 -0.927 1.00 0.00 C ATOM 1157 CG LEU A 104 -0.280 -11.047 -0.111 1.00 0.00 C ATOM 1158 CD1 LEU A 104 0.452 -10.838 1.213 1.00 0.00 C ATOM 1159 CD2 LEU A 104 -1.736 -11.498 0.042 1.00 0.00 C ATOM 0 H LEU A 104 0.094 -8.581 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 104 1.598 -8.775 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.638 -8.937 -0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.909 -9.848 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 104 0.240 -11.856 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.425 -11.760 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.488 -10.563 1.016 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.034 -10.041 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.772 -12.423 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.304 -10.725 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -2.170 -11.668 -0.943 1.00 0.00 H new ATOM 1171 N ASP A 105 3.329 -10.371 -1.573 1.00 0.00 N ATOM 1172 CA ASP A 105 4.249 -11.501 -1.664 1.00 0.00 C ATOM 1173 C ASP A 105 3.984 -12.326 -0.418 1.00 0.00 C ATOM 1174 O ASP A 105 4.503 -12.013 0.660 1.00 0.00 O ATOM 1175 CB ASP A 105 5.729 -11.074 -1.675 1.00 0.00 C ATOM 1176 CG ASP A 105 6.679 -12.220 -2.002 1.00 0.00 C ATOM 1177 OD1 ASP A 105 7.823 -11.927 -2.422 1.00 0.00 O ATOM 1178 OD2 ASP A 105 6.327 -13.400 -1.771 1.00 0.00 O ATOM 0 H ASP A 105 3.766 -9.511 -1.241 1.00 0.00 H new ATOM 0 HA ASP A 105 4.083 -12.041 -2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.866 -10.277 -2.406 1.00 0.00 H new ATOM 0 HB3 ASP A 105 5.989 -10.661 -0.700 1.00 0.00 H new ATOM 1184 N VAL A 106 3.078 -13.295 -0.489 1.00 0.00 N ATOM 1185 CA VAL A 106 2.869 -14.183 0.637 1.00 0.00 C ATOM 1186 C VAL A 106 4.095 -15.088 0.838 1.00 0.00 C ATOM 1187 O VAL A 106 4.391 -15.490 1.964 1.00 0.00 O ATOM 1188 CB VAL A 106 1.547 -14.939 0.417 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.685 -16.243 -0.364 1.00 0.00 C ATOM 1190 CG2 VAL A 106 0.884 -15.192 1.760 1.00 0.00 C ATOM 0 H VAL A 106 2.489 -13.480 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 106 2.771 -13.630 1.571 1.00 0.00 H new ATOM 0 HB VAL A 106 0.925 -14.297 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.705 -16.708 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.098 -16.034 -1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.351 -16.919 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.053 -15.728 1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.546 -15.790 2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.682 -14.240 2.251 1.00 0.00 H new ATOM 1200 N GLY A 107 4.840 -15.380 -0.233 1.00 0.00 N ATOM 1201 CA GLY A 107 5.932 -16.333 -0.213 1.00 0.00 C ATOM 1202 C GLY A 107 7.097 -15.817 0.620 1.00 0.00 C ATOM 1203 O GLY A 107 7.691 -16.586 1.381 1.00 0.00 O ATOM 0 H GLY A 107 4.692 -14.950 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.583 -17.282 0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.268 -16.527 -1.232 1.00 0.00 H new ATOM 1207 N GLN A 108 7.415 -14.527 0.516 1.00 0.00 N ATOM 1208 CA GLN A 108 8.427 -13.853 1.319 1.00 0.00 C ATOM 1209 C GLN A 108 7.806 -13.160 2.537 1.00 0.00 C ATOM 1210 O GLN A 108 8.531 -12.687 3.410 1.00 0.00 O ATOM 1211 CB GLN A 108 9.200 -12.868 0.416 1.00 0.00 C ATOM 1212 CG GLN A 108 10.578 -12.473 0.956 1.00 0.00 C ATOM 1213 CD GLN A 108 11.533 -13.660 1.067 1.00 0.00 C ATOM 1214 OE1 GLN A 108 12.173 -14.042 0.096 1.00 0.00 O ATOM 1215 NE2 GLN A 108 11.674 -14.273 2.235 1.00 0.00 N ATOM 0 H GLN A 108 6.959 -13.905 -0.152 1.00 0.00 H new ATOM 0 HA GLN A 108 9.127 -14.587 1.718 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.323 -13.316 -0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.601 -11.967 0.284 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.017 -11.719 0.302 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.461 -12.014 1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.141 -13.956 3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.315 -15.061 2.323 1.00 0.00 H new ATOM 1224 N GLN A 109 6.473 -13.117 2.625 1.00 0.00 N ATOM 1225 CA GLN A 109 5.713 -12.271 3.535 1.00 0.00 C ATOM 1226 C GLN A 109 6.172 -10.810 3.456 1.00 0.00 C ATOM 1227 O GLN A 109 6.461 -10.164 4.468 1.00 0.00 O ATOM 1228 CB GLN A 109 5.703 -12.830 4.962 1.00 0.00 C ATOM 1229 CG GLN A 109 5.100 -14.240 5.029 1.00 0.00 C ATOM 1230 CD GLN A 109 4.679 -14.582 6.453 1.00 0.00 C ATOM 1231 OE1 GLN A 109 5.508 -14.928 7.292 1.00 0.00 O ATOM 1232 NE2 GLN A 109 3.403 -14.459 6.784 1.00 0.00 N ATOM 0 H GLN A 109 5.874 -13.697 2.037 1.00 0.00 H new ATOM 0 HA GLN A 109 4.673 -12.280 3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.722 -12.854 5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.133 -12.162 5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.238 -14.304 4.365 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.829 -14.969 4.676 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.720 -14.171 6.083 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.103 -14.652 7.740 1.00 0.00 H new ATOM 1241 N ARG A 110 6.197 -10.271 2.235 1.00 0.00 N ATOM 1242 CA ARG A 110 6.685 -8.931 1.940 1.00 0.00 C ATOM 1243 C ARG A 110 5.755 -8.196 0.986 1.00 0.00 C ATOM 1244 O ARG A 110 5.718 -8.490 -0.207 1.00 0.00 O ATOM 1245 CB ARG A 110 8.126 -9.015 1.437 1.00 0.00 C ATOM 1246 CG ARG A 110 8.708 -7.598 1.296 1.00 0.00 C ATOM 1247 CD ARG A 110 9.530 -7.423 0.016 1.00 0.00 C ATOM 1248 NE ARG A 110 10.974 -7.436 0.262 1.00 0.00 N ATOM 1249 CZ ARG A 110 11.904 -6.881 -0.521 1.00 0.00 C ATOM 1250 NH1 ARG A 110 11.567 -6.361 -1.703 1.00 0.00 N ATOM 1251 NH2 ARG A 110 13.165 -6.849 -0.096 1.00 0.00 N ATOM 0 H ARG A 110 5.870 -10.770 1.408 1.00 0.00 H new ATOM 0 HA ARG A 110 6.689 -8.335 2.853 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.730 -9.600 2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 110 8.157 -9.529 0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.894 -6.873 1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.336 -7.380 2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.278 -8.220 -0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.256 -6.482 -0.461 1.00 0.00 H new ATOM 0 HE ARG A 110 11.298 -7.910 1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.596 -6.386 -2.013 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.281 -5.939 -2.297 1.00 0.00 H new ATOM 0 HH21 ARG A 110 13.407 -7.244 0.813 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.889 -6.430 -0.679 1.00 0.00 H new ATOM 1265 N LEU A 111 4.987 -7.239 1.497 1.00 0.00 N ATOM 1266 CA LEU A 111 4.010 -6.540 0.686 1.00 0.00 C ATOM 1267 C LEU A 111 4.809 -5.516 -0.104 1.00 0.00 C ATOM 1268 O LEU A 111 5.127 -4.453 0.427 1.00 0.00 O ATOM 1269 CB LEU A 111 2.892 -5.951 1.560 1.00 0.00 C ATOM 1270 CG LEU A 111 1.964 -4.936 0.882 1.00 0.00 C ATOM 1271 CD1 LEU A 111 1.159 -5.540 -0.268 1.00 0.00 C ATOM 1272 CD2 LEU A 111 1.065 -4.259 1.934 1.00 0.00 C ATOM 0 H LEU A 111 5.026 -6.933 2.469 1.00 0.00 H new ATOM 0 HA LEU A 111 3.475 -7.192 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.283 -6.773 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.350 -5.471 2.425 1.00 0.00 H new ATOM 0 HG LEU A 111 2.589 -4.171 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.521 -4.773 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.841 -5.924 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.540 -6.354 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.409 -3.540 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.462 -5.015 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.686 -3.743 2.666 1.00 0.00 H new ATOM 1284 N ASN A 112 5.194 -5.886 -1.328 1.00 0.00 N ATOM 1285 CA ASN A 112 5.992 -5.090 -2.250 1.00 0.00 C ATOM 1286 C ASN A 112 5.080 -3.982 -2.767 1.00 0.00 C ATOM 1287 O ASN A 112 4.380 -4.115 -3.777 1.00 0.00 O ATOM 1288 CB ASN A 112 6.584 -5.936 -3.388 1.00 0.00 C ATOM 1289 CG ASN A 112 7.753 -6.815 -2.955 1.00 0.00 C ATOM 1290 OD1 ASN A 112 8.900 -6.377 -2.868 1.00 0.00 O ATOM 1291 ND2 ASN A 112 7.490 -8.074 -2.643 1.00 0.00 N ATOM 0 H ASN A 112 4.943 -6.795 -1.717 1.00 0.00 H new ATOM 0 HA ASN A 112 6.859 -4.668 -1.741 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.800 -6.569 -3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.916 -5.273 -4.187 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.240 -8.689 -2.328 1.00 0.00 H new ATOM 0 HD22 ASN A 112 6.537 -8.430 -2.718 1.00 0.00 H new ATOM 1298 N LEU A 113 5.020 -2.920 -1.982 1.00 0.00 N ATOM 1299 CA LEU A 113 4.322 -1.678 -2.209 1.00 0.00 C ATOM 1300 C LEU A 113 5.282 -0.796 -3.007 1.00 0.00 C ATOM 1301 O LEU A 113 6.478 -0.750 -2.718 1.00 0.00 O ATOM 1302 CB LEU A 113 3.967 -1.088 -0.820 1.00 0.00 C ATOM 1303 CG LEU A 113 2.528 -0.589 -0.637 1.00 0.00 C ATOM 1304 CD1 LEU A 113 2.201 0.639 -1.492 1.00 0.00 C ATOM 1305 CD2 LEU A 113 1.501 -1.713 -0.843 1.00 0.00 C ATOM 0 H LEU A 113 5.507 -2.911 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 113 3.392 -1.780 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.163 -1.850 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.644 -0.258 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 113 2.456 -0.263 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.169 0.941 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.869 1.457 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.332 0.394 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.495 -1.317 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.597 -2.113 -1.852 1.00 0.00 H new ATOM 0 HD23 LEU A 113 1.681 -2.508 -0.119 1.00 0.00 H new ATOM 1317 N THR A 114 4.786 -0.064 -3.991 1.00 0.00 N ATOM 1318 CA THR A 114 5.621 0.814 -4.805 1.00 0.00 C ATOM 1319 C THR A 114 4.863 2.111 -5.009 1.00 0.00 C ATOM 1320 O THR A 114 3.636 2.075 -5.094 1.00 0.00 O ATOM 1321 CB THR A 114 5.927 0.125 -6.142 1.00 0.00 C ATOM 1322 OG1 THR A 114 6.531 -1.138 -5.927 1.00 0.00 O ATOM 1323 CG2 THR A 114 6.850 0.977 -7.012 1.00 0.00 C ATOM 0 H THR A 114 3.799 -0.059 -4.250 1.00 0.00 H new ATOM 0 HA THR A 114 6.572 1.026 -4.317 1.00 0.00 H new ATOM 0 HB THR A 114 4.977 -0.006 -6.660 1.00 0.00 H new ATOM 0 HG1 THR A 114 6.717 -1.563 -6.790 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.046 0.459 -7.951 1.00 0.00 H new ATOM 0 HG22 THR A 114 6.373 1.935 -7.219 1.00 0.00 H new ATOM 0 HG23 THR A 114 7.791 1.146 -6.488 1.00 0.00 H new ATOM 1331 N ILE A 115 5.580 3.237 -5.093 1.00 0.00 N ATOM 1332 CA ILE A 115 5.033 4.555 -5.391 1.00 0.00 C ATOM 1333 C ILE A 115 6.061 5.323 -6.221 1.00 0.00 C ATOM 1334 O ILE A 115 7.241 5.350 -5.842 1.00 0.00 O ATOM 1335 CB ILE A 115 4.677 5.272 -4.065 1.00 0.00 C ATOM 1336 CG1 ILE A 115 3.344 4.748 -3.498 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.622 6.806 -4.133 1.00 0.00 C ATOM 1338 CD1 ILE A 115 2.100 5.168 -4.281 1.00 0.00 C ATOM 0 H ILE A 115 6.590 3.251 -4.950 1.00 0.00 H new ATOM 0 HA ILE A 115 4.114 4.486 -5.972 1.00 0.00 H new ATOM 0 HB ILE A 115 5.510 5.030 -3.405 1.00 0.00 H new ATOM 0 HG12 ILE A 115 3.384 3.659 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.242 5.095 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.365 7.205 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.595 7.192 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.867 7.111 -4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.213 4.751 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.028 6.256 -4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.171 4.797 -5.304 1.00 0.00 H new ATOM 1350 N PRO A 116 5.623 5.988 -7.304 1.00 0.00 N ATOM 1351 CA PRO A 116 6.515 6.742 -8.157 1.00 0.00 C ATOM 1352 C PRO A 116 7.091 7.909 -7.360 1.00 0.00 C ATOM 1353 O PRO A 116 6.390 8.534 -6.562 1.00 0.00 O ATOM 1354 CB PRO A 116 5.673 7.191 -9.351 1.00 0.00 C ATOM 1355 CG PRO A 116 4.252 7.241 -8.808 1.00 0.00 C ATOM 1356 CD PRO A 116 4.237 6.186 -7.708 1.00 0.00 C ATOM 0 HA PRO A 116 7.367 6.163 -8.514 1.00 0.00 H new ATOM 0 HB2 PRO A 116 5.993 8.166 -9.720 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.757 6.492 -10.183 1.00 0.00 H new ATOM 0 HG2 PRO A 116 4.010 8.229 -8.416 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.520 7.018 -9.585 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.630 6.514 -6.864 1.00 0.00 H new ATOM 0 HD3 PRO A 116 3.802 5.255 -8.070 1.00 0.00 H new ATOM 1364 N GLN A 117 8.373 8.212 -7.555 1.00 0.00 N ATOM 1365 CA GLN A 117 9.113 9.070 -6.628 1.00 0.00 C ATOM 1366 C GLN A 117 8.654 10.535 -6.603 1.00 0.00 C ATOM 1367 O GLN A 117 9.061 11.265 -5.706 1.00 0.00 O ATOM 1368 CB GLN A 117 10.622 8.944 -6.890 1.00 0.00 C ATOM 1369 CG GLN A 117 11.172 7.554 -6.547 1.00 0.00 C ATOM 1370 CD GLN A 117 10.959 7.203 -5.079 1.00 0.00 C ATOM 1371 OE1 GLN A 117 11.693 7.659 -4.200 1.00 0.00 O ATOM 1372 NE2 GLN A 117 9.941 6.419 -4.777 1.00 0.00 N ATOM 0 H GLN A 117 8.922 7.877 -8.346 1.00 0.00 H new ATOM 0 HA GLN A 117 8.887 8.706 -5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.823 9.160 -7.939 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.152 9.694 -6.303 1.00 0.00 H new ATOM 0 HG2 GLN A 117 10.685 6.807 -7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.237 7.518 -6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.344 6.051 -5.517 1.00 0.00 H new ATOM 0 HE22 GLN A 117 9.751 6.182 -3.803 1.00 0.00 H new ATOM 1381 N ALA A 118 7.786 10.966 -7.521 1.00 0.00 N ATOM 1382 CA ALA A 118 7.106 12.251 -7.416 1.00 0.00 C ATOM 1383 C ALA A 118 6.076 12.257 -6.278 1.00 0.00 C ATOM 1384 O ALA A 118 5.946 13.248 -5.562 1.00 0.00 O ATOM 1385 CB ALA A 118 6.399 12.539 -8.736 1.00 0.00 C ATOM 0 H ALA A 118 7.538 10.433 -8.354 1.00 0.00 H new ATOM 0 HA ALA A 118 7.850 13.017 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.885 13.498 -8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 118 7.132 12.573 -9.542 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.673 11.752 -8.939 1.00 0.00 H new ATOM 1391 N PHE A 119 5.342 11.159 -6.074 1.00 0.00 N ATOM 1392 CA PHE A 119 4.213 11.083 -5.147 1.00 0.00 C ATOM 1393 C PHE A 119 4.710 10.799 -3.714 1.00 0.00 C ATOM 1394 O PHE A 119 4.031 10.182 -2.885 1.00 0.00 O ATOM 1395 CB PHE A 119 3.301 9.951 -5.666 1.00 0.00 C ATOM 1396 CG PHE A 119 2.353 10.315 -6.796 1.00 0.00 C ATOM 1397 CD1 PHE A 119 2.846 10.577 -8.082 1.00 0.00 C ATOM 1398 CD2 PHE A 119 0.963 10.282 -6.600 1.00 0.00 C ATOM 1399 CE1 PHE A 119 1.969 10.743 -9.161 1.00 0.00 C ATOM 1400 CE2 PHE A 119 0.076 10.460 -7.680 1.00 0.00 C ATOM 1401 CZ PHE A 119 0.579 10.668 -8.974 1.00 0.00 C ATOM 0 H PHE A 119 5.521 10.280 -6.560 1.00 0.00 H new ATOM 0 HA PHE A 119 3.666 12.025 -5.102 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.933 9.129 -6.001 1.00 0.00 H new ATOM 0 HB3 PHE A 119 2.709 9.578 -4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 119 3.911 10.651 -8.242 1.00 0.00 H new ATOM 0 HD2 PHE A 119 0.569 10.118 -5.608 1.00 0.00 H new ATOM 0 HE1 PHE A 119 2.366 10.931 -10.148 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -0.991 10.436 -7.512 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.093 10.769 -9.813 1.00 0.00 H new ATOM 1411 N MET A 120 5.850 11.374 -3.344 1.00 0.00 N ATOM 1412 CA MET A 120 6.618 11.061 -2.153 1.00 0.00 C ATOM 1413 C MET A 120 7.040 12.400 -1.581 1.00 0.00 C ATOM 1414 O MET A 120 7.674 13.197 -2.273 1.00 0.00 O ATOM 1415 CB MET A 120 7.811 10.168 -2.531 1.00 0.00 C ATOM 1416 CG MET A 120 7.354 8.761 -2.931 1.00 0.00 C ATOM 1417 SD MET A 120 7.917 7.448 -1.815 1.00 0.00 S ATOM 1418 CE MET A 120 6.824 7.785 -0.408 1.00 0.00 C ATOM 0 H MET A 120 6.283 12.111 -3.901 1.00 0.00 H new ATOM 0 HA MET A 120 6.051 10.502 -1.409 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.360 10.622 -3.356 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.499 10.102 -1.688 1.00 0.00 H new ATOM 0 HG2 MET A 120 6.265 8.744 -2.973 1.00 0.00 H new ATOM 0 HG3 MET A 120 7.715 8.547 -3.937 1.00 0.00 H new ATOM 0 HE1 MET A 120 7.050 7.092 0.402 1.00 0.00 H new ATOM 0 HE2 MET A 120 6.978 8.808 -0.064 1.00 0.00 H new ATOM 0 HE3 MET A 120 5.786 7.658 -0.715 1.00 0.00 H new ATOM 1428 N SER A 121 6.567 12.704 -0.375 1.00 0.00 N ATOM 1429 CA SER A 121 6.858 13.965 0.295 1.00 0.00 C ATOM 1430 C SER A 121 8.365 13.999 0.561 1.00 0.00 C ATOM 1431 O SER A 121 8.851 13.361 1.500 1.00 0.00 O ATOM 1432 CB SER A 121 5.988 14.096 1.552 1.00 0.00 C ATOM 1433 OG SER A 121 6.145 15.343 2.198 1.00 0.00 O ATOM 0 H SER A 121 5.969 12.079 0.166 1.00 0.00 H new ATOM 0 HA SER A 121 6.609 14.833 -0.316 1.00 0.00 H new ATOM 0 HB2 SER A 121 4.941 13.962 1.280 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.241 13.297 2.248 1.00 0.00 H new ATOM 0 HG SER A 121 5.569 15.376 2.990 1.00 0.00 H new ATOM 1439 N ASN A 122 9.104 14.691 -0.309 1.00 0.00 N ATOM 1440 CA ASN A 122 10.552 14.641 -0.476 1.00 0.00 C ATOM 1441 C ASN A 122 11.055 13.206 -0.615 1.00 0.00 C ATOM 1442 O ASN A 122 11.136 12.691 -1.729 1.00 0.00 O ATOM 1443 CB ASN A 122 11.284 15.444 0.610 1.00 0.00 C ATOM 1444 CG ASN A 122 10.858 16.900 0.579 1.00 0.00 C ATOM 1445 OD1 ASN A 122 10.937 17.551 -0.462 1.00 0.00 O ATOM 1446 ND2 ASN A 122 10.396 17.436 1.688 1.00 0.00 N ATOM 0 H ASN A 122 8.672 15.347 -0.960 1.00 0.00 H new ATOM 0 HA ASN A 122 10.793 15.134 -1.418 1.00 0.00 H new ATOM 0 HB2 ASN A 122 11.070 15.018 1.590 1.00 0.00 H new ATOM 0 HB3 ASN A 122 12.361 15.372 0.459 1.00 0.00 H new ATOM 0 HD21 ASN A 122 10.094 18.410 1.696 1.00 0.00 H new ATOM 0 HD22 ASN A 122 10.339 16.877 2.539 1.00 0.00 H new ATOM 1453 N ARG A 123 11.405 12.547 0.488 1.00 0.00 N ATOM 1454 CA ARG A 123 11.888 11.180 0.503 1.00 0.00 C ATOM 1455 C ARG A 123 11.289 10.464 1.699 1.00 0.00 C ATOM 1456 O ARG A 123 11.218 11.037 2.784 1.00 0.00 O ATOM 1457 CB ARG A 123 13.409 11.149 0.520 1.00 0.00 C ATOM 1458 CG ARG A 123 13.957 10.606 -0.815 1.00 0.00 C ATOM 1459 CD ARG A 123 13.713 9.093 -1.000 1.00 0.00 C ATOM 1460 NE ARG A 123 13.703 8.717 -2.422 1.00 0.00 N ATOM 1461 CZ ARG A 123 14.756 8.464 -3.208 1.00 0.00 C ATOM 1462 NH1 ARG A 123 15.974 8.321 -2.699 1.00 0.00 N ATOM 1463 NH2 ARG A 123 14.553 8.372 -4.514 1.00 0.00 N ATOM 0 H ARG A 123 11.357 12.966 1.417 1.00 0.00 H new ATOM 0 HA ARG A 123 11.576 10.662 -0.404 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.796 12.152 0.697 1.00 0.00 H new ATOM 0 HB3 ARG A 123 13.756 10.524 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 123 13.491 11.146 -1.639 1.00 0.00 H new ATOM 0 HG3 ARG A 123 15.027 10.804 -0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 123 14.490 8.532 -0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 123 12.762 8.819 -0.544 1.00 0.00 H new ATOM 0 HE ARG A 123 12.785 8.640 -2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 123 16.119 8.404 -1.693 1.00 0.00 H new ATOM 0 HH12 ARG A 123 16.764 8.128 -3.314 1.00 0.00 H new ATOM 0 HH21 ARG A 123 13.614 8.493 -4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 123 15.336 8.180 -5.139 1.00 0.00 H new ATOM 1477 N ALA A 124 10.913 9.207 1.483 1.00 0.00 N ATOM 1478 CA ALA A 124 10.620 8.250 2.528 1.00 0.00 C ATOM 1479 C ALA A 124 11.974 7.854 3.114 1.00 0.00 C ATOM 1480 O ALA A 124 12.606 6.936 2.585 1.00 0.00 O ATOM 1481 CB ALA A 124 9.884 7.055 1.908 1.00 0.00 C ATOM 0 H ALA A 124 10.803 8.821 0.545 1.00 0.00 H new ATOM 0 HA ALA A 124 9.976 8.648 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 124 9.657 6.325 2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.957 7.397 1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 124 10.515 6.593 1.149 1.00 0.00 H new ATOM 1487 N ARG A 125 12.491 8.618 4.073 1.00 0.00 N ATOM 1488 CA ARG A 125 13.835 8.503 4.620 1.00 0.00 C ATOM 1489 C ARG A 125 13.776 8.933 6.067 1.00 0.00 C ATOM 1490 O ARG A 125 13.089 9.930 6.385 1.00 0.00 O ATOM 1491 CB ARG A 125 14.826 9.363 3.833 1.00 0.00 C ATOM 1492 CG ARG A 125 15.470 8.556 2.693 1.00 0.00 C ATOM 1493 CD ARG A 125 16.267 9.435 1.734 1.00 0.00 C ATOM 1494 NE ARG A 125 17.181 10.310 2.471 1.00 0.00 N ATOM 1495 CZ ARG A 125 18.117 11.132 2.001 1.00 0.00 C ATOM 1496 NH1 ARG A 125 18.259 11.381 0.703 1.00 0.00 N ATOM 1497 NH2 ARG A 125 18.943 11.700 2.866 1.00 0.00 N ATOM 0 H ARG A 125 11.956 9.369 4.509 1.00 0.00 H new ATOM 0 HA ARG A 125 14.185 7.473 4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 125 14.313 10.233 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 125 15.601 9.736 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 125 16.127 7.796 3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 125 14.692 8.031 2.139 1.00 0.00 H new ATOM 0 HD2 ARG A 125 16.833 8.809 1.044 1.00 0.00 H new ATOM 0 HD3 ARG A 125 15.585 10.037 1.133 1.00 0.00 H new ATOM 0 HE ARG A 125 17.088 10.286 3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 125 17.638 10.936 0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 125 18.989 12.017 0.383 1.00 0.00 H new ATOM 0 HH21 ARG A 125 18.852 11.503 3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 125 19.670 12.334 2.536 1.00 0.00 H new TER 1511 ARG A 125