USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 787 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 25 LYS NZ :NH3+ -151:sc= -2.38 (180deg=-4.5!) USER MOD Set 1.2: A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.471 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -0.0151 (180deg=-0.201) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 15:sc= 0.891 USER MOD Single : A 28 THR OG1 : rot -150:sc= -1.03 USER MOD Single : A 29 GLN : amide:sc= -0.245 X(o=-0.24,f=0) USER MOD Single : A 30 THR OG1 : rot 120:sc= 0 USER MOD Single : A 31 SER OG : rot -12:sc= 0.171! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0.772 K(o=0.77,f=-0.38) USER MOD Single : A 43 LYS NZ :NH3+ -137:sc= -2.64 (180deg=-5.03!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= -1.51 (180deg=-1.58) USER MOD Single : A 57 SER OG : rot -86:sc= 1.06 USER MOD Single : A 90 SER OG : rot -55:sc= 1.25 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot -169:sc= 0.982 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 110 ASN : amide:sc= -1.89 K(o=-1.9,f=-1!) USER MOD Single : A 111 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.36) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 MET CE :methyl -152:sc= -3.83! (180deg=-4.38!) USER MOD Single : A 116 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 126 LYS NZ :NH3+ -143:sc= 0.691 (180deg=-0.196) USER MOD ----------------------------------------------------------------- ATOM 20 N PHE A 2 -8.447 11.502 8.279 1.00 0.00 N ATOM 21 CA PHE A 2 -9.411 11.396 7.189 1.00 0.00 C ATOM 22 C PHE A 2 -10.539 10.436 7.551 1.00 0.00 C ATOM 23 O PHE A 2 -10.701 10.063 8.713 1.00 0.00 O ATOM 24 CB PHE A 2 -8.714 10.931 5.908 1.00 0.00 C ATOM 25 CG PHE A 2 -9.085 11.739 4.695 1.00 0.00 C ATOM 26 CD1 PHE A 2 -9.158 13.121 4.763 1.00 0.00 C ATOM 27 CD2 PHE A 2 -9.359 11.116 3.487 1.00 0.00 C ATOM 28 CE1 PHE A 2 -9.497 13.868 3.651 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.699 11.859 2.371 1.00 0.00 C ATOM 30 CZ PHE A 2 -9.768 13.236 2.454 1.00 0.00 C ATOM 0 HA PHE A 2 -9.842 12.383 7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.635 10.982 6.052 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -8.963 9.885 5.728 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -8.947 13.621 5.697 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -9.306 10.040 3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -9.550 14.945 3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.910 11.363 1.435 1.00 0.00 H new ATOM 0 HZ PHE A 2 -10.034 13.818 1.584 1.00 0.00 H new ATOM 40 N ASP A 3 -11.320 10.042 6.550 1.00 0.00 N ATOM 41 CA ASP A 3 -12.436 9.127 6.767 1.00 0.00 C ATOM 42 C ASP A 3 -12.340 7.904 5.856 1.00 0.00 C ATOM 43 O ASP A 3 -13.339 7.232 5.603 1.00 0.00 O ATOM 44 CB ASP A 3 -13.763 9.852 6.533 1.00 0.00 C ATOM 45 CG ASP A 3 -14.599 9.955 7.795 1.00 0.00 C ATOM 46 OD1 ASP A 3 -15.403 9.034 8.050 1.00 0.00 O ATOM 47 OD2 ASP A 3 -14.448 10.955 8.527 1.00 0.00 O ATOM 0 H ASP A 3 -11.201 10.341 5.582 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.390 8.781 7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.564 10.853 6.150 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.331 9.325 5.767 1.00 0.00 H new ATOM 52 N LEU A 4 -11.136 7.617 5.368 1.00 0.00 N ATOM 53 CA LEU A 4 -10.925 6.469 4.492 1.00 0.00 C ATOM 54 C LEU A 4 -10.452 5.259 5.291 1.00 0.00 C ATOM 55 O LEU A 4 -9.367 5.272 5.872 1.00 0.00 O ATOM 56 CB LEU A 4 -9.907 6.804 3.399 1.00 0.00 C ATOM 57 CG LEU A 4 -9.723 5.718 2.337 1.00 0.00 C ATOM 58 CD1 LEU A 4 -9.459 6.338 0.972 1.00 0.00 C ATOM 59 CD2 LEU A 4 -8.596 4.773 2.732 1.00 0.00 C ATOM 0 H LEU A 4 -10.296 8.161 5.563 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.878 6.226 4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.215 7.726 2.906 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -8.943 7.000 3.868 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.645 5.141 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.331 5.548 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.303 6.967 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.554 6.943 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.478 4.007 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.667 5.335 2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.835 4.300 3.685 1.00 0.00 H new ATOM 71 N THR A 5 -11.275 4.215 5.321 1.00 0.00 N ATOM 72 CA THR A 5 -10.941 3.000 6.056 1.00 0.00 C ATOM 73 C THR A 5 -10.726 1.824 5.108 1.00 0.00 C ATOM 74 O THR A 5 -11.616 1.459 4.341 1.00 0.00 O ATOM 75 CB THR A 5 -12.050 2.666 7.057 1.00 0.00 C ATOM 76 OG1 THR A 5 -12.225 3.725 7.982 1.00 0.00 O ATOM 77 CG2 THR A 5 -11.784 1.405 7.850 1.00 0.00 C ATOM 0 H THR A 5 -12.177 4.186 4.845 1.00 0.00 H new ATOM 0 HA THR A 5 -10.011 3.179 6.596 1.00 0.00 H new ATOM 0 HB THR A 5 -12.945 2.514 6.454 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.939 3.494 8.612 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.609 1.228 8.540 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.693 0.559 7.169 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.858 1.518 8.414 1.00 0.00 H new ATOM 85 N VAL A 6 -9.539 1.227 5.172 1.00 0.00 N ATOM 86 CA VAL A 6 -9.209 0.086 4.326 1.00 0.00 C ATOM 87 C VAL A 6 -8.475 -0.983 5.120 1.00 0.00 C ATOM 88 O VAL A 6 -7.435 -0.719 5.720 1.00 0.00 O ATOM 89 CB VAL A 6 -8.342 0.497 3.112 1.00 0.00 C ATOM 90 CG1 VAL A 6 -7.331 1.559 3.510 1.00 0.00 C ATOM 91 CG2 VAL A 6 -7.655 -0.711 2.475 1.00 0.00 C ATOM 0 H VAL A 6 -8.790 1.515 5.801 1.00 0.00 H new ATOM 0 HA VAL A 6 -10.154 -0.313 3.958 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.005 0.924 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.732 1.834 2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.855 2.439 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.680 1.167 4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.055 -0.383 1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.010 -1.192 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.409 -1.420 2.134 1.00 0.00 H new ATOM 101 N GLY A 7 -9.011 -2.194 5.096 1.00 0.00 N ATOM 102 CA GLY A 7 -8.376 -3.284 5.796 1.00 0.00 C ATOM 103 C GLY A 7 -7.727 -4.254 4.833 1.00 0.00 C ATOM 104 O GLY A 7 -8.411 -4.943 4.077 1.00 0.00 O ATOM 0 H GLY A 7 -9.871 -2.438 4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.624 -2.890 6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.115 -3.809 6.402 1.00 0.00 H new ATOM 108 N ILE A 8 -6.403 -4.311 4.866 1.00 0.00 N ATOM 109 CA ILE A 8 -5.660 -5.208 3.997 1.00 0.00 C ATOM 110 C ILE A 8 -5.384 -6.514 4.739 1.00 0.00 C ATOM 111 O ILE A 8 -4.752 -6.501 5.796 1.00 0.00 O ATOM 112 CB ILE A 8 -4.332 -4.559 3.536 1.00 0.00 C ATOM 113 CG1 ILE A 8 -4.609 -3.503 2.462 1.00 0.00 C ATOM 114 CG2 ILE A 8 -3.356 -5.607 3.012 1.00 0.00 C ATOM 115 CD1 ILE A 8 -3.638 -2.341 2.483 1.00 0.00 C ATOM 0 H ILE A 8 -5.823 -3.746 5.486 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.256 -5.413 3.108 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.872 -4.078 4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.572 -3.977 1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.621 -3.121 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.434 -5.120 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.135 -6.325 3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.801 -6.126 2.163 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.898 -1.635 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.690 -1.840 3.450 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.625 -2.710 2.320 1.00 0.00 H new ATOM 127 N THR A 9 -5.878 -7.639 4.219 1.00 0.00 N ATOM 128 CA THR A 9 -5.678 -8.912 4.907 1.00 0.00 C ATOM 129 C THR A 9 -5.528 -10.109 3.967 1.00 0.00 C ATOM 130 O THR A 9 -6.405 -10.398 3.151 1.00 0.00 O ATOM 131 CB THR A 9 -6.845 -9.151 5.872 1.00 0.00 C ATOM 132 OG1 THR A 9 -6.455 -10.000 6.936 1.00 0.00 O ATOM 133 CG2 THR A 9 -8.068 -9.764 5.218 1.00 0.00 C ATOM 0 H THR A 9 -6.405 -7.695 3.348 1.00 0.00 H new ATOM 0 HA THR A 9 -4.734 -8.833 5.445 1.00 0.00 H new ATOM 0 HB THR A 9 -7.114 -8.159 6.234 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.214 -10.137 7.540 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.849 -9.902 5.965 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.431 -9.102 4.432 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.804 -10.729 4.786 1.00 0.00 H new ATOM 141 N ASP A 10 -4.414 -10.819 4.137 1.00 0.00 N ATOM 142 CA ASP A 10 -4.097 -12.019 3.380 1.00 0.00 C ATOM 143 C ASP A 10 -4.193 -11.838 1.874 1.00 0.00 C ATOM 144 O ASP A 10 -4.990 -11.054 1.360 1.00 0.00 O ATOM 145 CB ASP A 10 -4.972 -13.191 3.802 1.00 0.00 C ATOM 146 CG ASP A 10 -5.235 -13.221 5.295 1.00 0.00 C ATOM 147 OD1 ASP A 10 -4.330 -12.835 6.064 1.00 0.00 O ATOM 148 OD2 ASP A 10 -6.345 -13.630 5.694 1.00 0.00 O ATOM 0 H ASP A 10 -3.697 -10.568 4.818 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.054 -12.232 3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.923 -13.138 3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.492 -14.123 3.504 1.00 0.00 H new ATOM 153 N PRO A 11 -3.327 -12.565 1.158 1.00 0.00 N ATOM 154 CA PRO A 11 -3.197 -12.547 -0.282 1.00 0.00 C ATOM 155 C PRO A 11 -3.772 -13.818 -0.908 1.00 0.00 C ATOM 156 O PRO A 11 -3.132 -14.869 -0.886 1.00 0.00 O ATOM 157 CB PRO A 11 -1.659 -12.524 -0.414 1.00 0.00 C ATOM 158 CG PRO A 11 -1.141 -12.920 0.954 1.00 0.00 C ATOM 159 CD PRO A 11 -2.319 -13.463 1.683 1.00 0.00 C ATOM 0 HA PRO A 11 -3.720 -11.729 -0.777 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.318 -13.219 -1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.302 -11.534 -0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.351 -13.667 0.873 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.717 -12.062 1.477 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.518 -14.508 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.215 -13.396 2.766 1.00 0.00 H new ATOM 167 N GLU A 12 -4.983 -13.728 -1.450 1.00 0.00 N ATOM 168 CA GLU A 12 -5.627 -14.894 -2.059 1.00 0.00 C ATOM 169 C GLU A 12 -5.189 -15.085 -3.508 1.00 0.00 C ATOM 170 O GLU A 12 -4.946 -14.120 -4.231 1.00 0.00 O ATOM 171 CB GLU A 12 -7.157 -14.787 -1.985 1.00 0.00 C ATOM 172 CG GLU A 12 -7.689 -13.364 -2.010 1.00 0.00 C ATOM 173 CD GLU A 12 -7.797 -12.763 -0.622 1.00 0.00 C ATOM 174 OE1 GLU A 12 -6.922 -13.054 0.220 1.00 0.00 O ATOM 175 OE2 GLU A 12 -8.758 -12.003 -0.377 1.00 0.00 O ATOM 0 H GLU A 12 -5.535 -12.871 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.310 -15.766 -1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.588 -15.338 -2.821 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.499 -15.274 -1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.033 -12.744 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.670 -13.354 -2.485 1.00 0.00 H new ATOM 182 N LYS A 13 -5.088 -16.348 -3.918 1.00 0.00 N ATOM 183 CA LYS A 13 -4.677 -16.690 -5.276 1.00 0.00 C ATOM 184 C LYS A 13 -5.744 -16.299 -6.291 1.00 0.00 C ATOM 185 O LYS A 13 -6.941 -16.349 -6.006 1.00 0.00 O ATOM 186 CB LYS A 13 -4.388 -18.187 -5.381 1.00 0.00 C ATOM 187 CG LYS A 13 -3.568 -18.562 -6.606 1.00 0.00 C ATOM 188 CD LYS A 13 -2.076 -18.478 -6.325 1.00 0.00 C ATOM 189 CE LYS A 13 -1.256 -18.968 -7.508 1.00 0.00 C ATOM 190 NZ LYS A 13 -1.436 -20.428 -7.745 1.00 0.00 N ATOM 0 H LYS A 13 -5.286 -17.154 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.769 -16.130 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.857 -18.510 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.333 -18.731 -5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.824 -19.574 -6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.822 -17.898 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.806 -17.447 -6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.837 -19.074 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.545 -18.417 -8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.201 -18.757 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.696 -20.768 -8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.367 -20.938 -6.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.371 -20.598 -8.168 1.00 0.00 H new ATOM 204 N ILE A 14 -5.295 -15.903 -7.477 1.00 0.00 N ATOM 205 CA ILE A 14 -6.196 -15.492 -8.545 1.00 0.00 C ATOM 206 C ILE A 14 -6.339 -16.579 -9.600 1.00 0.00 C ATOM 207 O ILE A 14 -7.388 -16.719 -10.227 1.00 0.00 O ATOM 208 CB ILE A 14 -5.696 -14.201 -9.219 1.00 0.00 C ATOM 209 CG1 ILE A 14 -5.281 -13.157 -8.173 1.00 0.00 C ATOM 210 CG2 ILE A 14 -6.761 -13.640 -10.144 1.00 0.00 C ATOM 211 CD1 ILE A 14 -6.161 -13.122 -6.939 1.00 0.00 C ATOM 0 H ILE A 14 -4.306 -15.858 -7.723 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.169 -15.311 -8.089 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.816 -14.447 -9.813 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.254 -13.356 -7.866 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.289 -12.171 -8.638 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.392 -12.728 -10.613 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.997 -14.374 -10.915 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -7.660 -13.415 -9.570 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.796 -12.357 -6.254 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -7.186 -12.890 -7.229 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.135 -14.094 -6.446 1.00 0.00 H new ATOM 223 N GLY A 15 -5.276 -17.347 -9.791 1.00 0.00 N ATOM 224 CA GLY A 15 -5.301 -18.413 -10.775 1.00 0.00 C ATOM 225 C GLY A 15 -4.802 -19.731 -10.217 1.00 0.00 C ATOM 226 O GLY A 15 -4.468 -19.827 -9.036 1.00 0.00 O ATOM 0 H GLY A 15 -4.397 -17.252 -9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.319 -18.540 -11.142 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.687 -18.128 -11.630 1.00 0.00 H new ATOM 230 N ASP A 16 -4.750 -20.748 -11.070 1.00 0.00 N ATOM 231 CA ASP A 16 -4.286 -22.068 -10.658 1.00 0.00 C ATOM 232 C ASP A 16 -4.182 -23.005 -11.857 1.00 0.00 C ATOM 233 O ASP A 16 -4.459 -24.199 -11.750 1.00 0.00 O ATOM 234 CB ASP A 16 -5.230 -22.661 -9.610 1.00 0.00 C ATOM 235 CG ASP A 16 -6.630 -22.883 -10.148 1.00 0.00 C ATOM 236 OD1 ASP A 16 -7.023 -22.167 -11.093 1.00 0.00 O ATOM 237 OD2 ASP A 16 -7.333 -23.772 -9.626 1.00 0.00 O ATOM 0 H ASP A 16 -5.023 -20.684 -12.051 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.294 -21.957 -10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.825 -23.610 -9.257 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.277 -21.994 -8.749 1.00 0.00 H new ATOM 242 N GLY A 17 -3.779 -22.454 -12.998 1.00 0.00 N ATOM 243 CA GLY A 17 -3.645 -23.253 -14.202 1.00 0.00 C ATOM 244 C GLY A 17 -2.245 -23.200 -14.782 1.00 0.00 C ATOM 245 O GLY A 17 -1.590 -24.231 -14.933 1.00 0.00 O ATOM 0 H GLY A 17 -3.543 -21.468 -13.110 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.903 -24.288 -13.978 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.357 -22.902 -14.948 1.00 0.00 H new ATOM 249 N MET A 18 -1.787 -21.996 -15.109 1.00 0.00 N ATOM 250 CA MET A 18 -0.456 -21.813 -15.677 1.00 0.00 C ATOM 251 C MET A 18 0.154 -20.493 -15.217 1.00 0.00 C ATOM 252 O MET A 18 1.189 -20.475 -14.550 1.00 0.00 O ATOM 253 CB MET A 18 -0.522 -21.855 -17.205 1.00 0.00 C ATOM 254 CG MET A 18 -1.346 -23.011 -17.746 1.00 0.00 C ATOM 255 SD MET A 18 -1.431 -23.024 -19.547 1.00 0.00 S ATOM 256 CE MET A 18 -1.023 -24.733 -19.896 1.00 0.00 C ATOM 0 H MET A 18 -2.317 -21.133 -14.991 1.00 0.00 H new ATOM 0 HA MET A 18 0.179 -22.627 -15.326 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.944 -20.918 -17.568 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.491 -21.924 -17.602 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.916 -23.951 -17.400 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.356 -22.953 -17.339 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.035 -24.897 -20.973 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.030 -24.957 -19.506 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.755 -25.386 -19.421 1.00 0.00 H new ATOM 266 N ASN A 19 -0.495 -19.390 -15.576 1.00 0.00 N ATOM 267 CA ASN A 19 -0.020 -18.064 -15.199 1.00 0.00 C ATOM 268 C ASN A 19 -0.881 -17.483 -14.081 1.00 0.00 C ATOM 269 O ASN A 19 -1.595 -16.499 -14.280 1.00 0.00 O ATOM 270 CB ASN A 19 -0.032 -17.130 -16.411 1.00 0.00 C ATOM 271 CG ASN A 19 1.259 -17.193 -17.204 1.00 0.00 C ATOM 272 OD1 ASN A 19 1.503 -18.150 -17.939 1.00 0.00 O ATOM 273 ND2 ASN A 19 2.094 -16.172 -17.057 1.00 0.00 N ATOM 0 H ASN A 19 -1.353 -19.389 -16.128 1.00 0.00 H new ATOM 0 HA ASN A 19 1.004 -18.157 -14.836 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.867 -17.393 -17.060 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.199 -16.106 -16.076 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.979 -16.160 -17.564 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.851 -15.400 -16.437 1.00 0.00 H new ATOM 280 N ALA A 20 -0.815 -18.104 -12.909 1.00 0.00 N ATOM 281 CA ALA A 20 -1.592 -17.658 -11.759 1.00 0.00 C ATOM 282 C ALA A 20 -0.789 -16.706 -10.879 1.00 0.00 C ATOM 283 O ALA A 20 0.435 -16.808 -10.791 1.00 0.00 O ATOM 284 CB ALA A 20 -2.063 -18.854 -10.949 1.00 0.00 C ATOM 0 H ALA A 20 -0.230 -18.920 -12.730 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.461 -17.115 -12.131 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.642 -18.508 -10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.686 -19.494 -11.574 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.199 -19.419 -10.598 1.00 0.00 H new ATOM 290 N TYR A 21 -1.488 -15.784 -10.225 1.00 0.00 N ATOM 291 CA TYR A 21 -0.844 -14.817 -9.344 1.00 0.00 C ATOM 292 C TYR A 21 -1.726 -14.523 -8.144 1.00 0.00 C ATOM 293 O TYR A 21 -2.844 -15.032 -8.049 1.00 0.00 O ATOM 294 CB TYR A 21 -0.557 -13.516 -10.096 1.00 0.00 C ATOM 295 CG TYR A 21 -1.763 -12.953 -10.821 1.00 0.00 C ATOM 296 CD1 TYR A 21 -2.796 -12.324 -10.129 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.865 -13.051 -12.203 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.892 -11.811 -10.800 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.957 -12.541 -12.877 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.967 -11.922 -12.172 1.00 0.00 C ATOM 301 OH TYR A 21 -5.056 -11.413 -12.841 1.00 0.00 O ATOM 0 H TYR A 21 -2.501 -15.686 -10.289 1.00 0.00 H new ATOM 0 HA TYR A 21 0.097 -15.246 -9.000 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.189 -12.772 -9.390 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.240 -13.692 -10.818 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.740 -12.236 -9.054 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.076 -13.535 -12.760 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.685 -11.326 -10.251 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.019 -12.627 -13.952 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.953 -11.573 -13.802 1.00 0.00 H new ATOM 311 N VAL A 22 -1.236 -13.691 -7.234 1.00 0.00 N ATOM 312 CA VAL A 22 -2.013 -13.334 -6.061 1.00 0.00 C ATOM 313 C VAL A 22 -2.460 -11.885 -6.123 1.00 0.00 C ATOM 314 O VAL A 22 -1.823 -11.038 -6.751 1.00 0.00 O ATOM 315 CB VAL A 22 -1.248 -13.552 -4.741 1.00 0.00 C ATOM 316 CG1 VAL A 22 -2.075 -13.046 -3.559 1.00 0.00 C ATOM 317 CG2 VAL A 22 -0.895 -15.020 -4.562 1.00 0.00 C ATOM 0 H VAL A 22 -0.315 -13.257 -7.286 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.877 -13.999 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.319 -12.983 -4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.522 -13.206 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.274 -11.982 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.019 -13.589 -3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.355 -15.153 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.809 -15.614 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.268 -15.347 -5.391 1.00 0.00 H new ATOM 327 N ALA A 23 -3.565 -11.629 -5.457 1.00 0.00 N ATOM 328 CA ALA A 23 -4.154 -10.317 -5.391 1.00 0.00 C ATOM 329 C ALA A 23 -4.057 -9.758 -3.977 1.00 0.00 C ATOM 330 O ALA A 23 -3.458 -10.378 -3.098 1.00 0.00 O ATOM 331 CB ALA A 23 -5.592 -10.438 -5.810 1.00 0.00 C ATOM 0 H ALA A 23 -4.084 -12.339 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.623 -9.632 -6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.066 -9.457 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.643 -10.825 -6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.111 -11.120 -5.136 1.00 0.00 H new ATOM 337 N TYR A 24 -4.649 -8.591 -3.756 1.00 0.00 N ATOM 338 CA TYR A 24 -4.624 -7.970 -2.439 1.00 0.00 C ATOM 339 C TYR A 24 -6.001 -7.463 -2.043 1.00 0.00 C ATOM 340 O TYR A 24 -6.653 -6.745 -2.800 1.00 0.00 O ATOM 341 CB TYR A 24 -3.607 -6.833 -2.405 1.00 0.00 C ATOM 342 CG TYR A 24 -2.281 -7.265 -1.841 1.00 0.00 C ATOM 343 CD1 TYR A 24 -1.500 -8.201 -2.503 1.00 0.00 C ATOM 344 CD2 TYR A 24 -1.821 -6.750 -0.639 1.00 0.00 C ATOM 345 CE1 TYR A 24 -0.289 -8.614 -1.983 1.00 0.00 C ATOM 346 CE2 TYR A 24 -0.612 -7.159 -0.109 1.00 0.00 C ATOM 347 CZ TYR A 24 0.151 -8.090 -0.786 1.00 0.00 C ATOM 348 OH TYR A 24 1.355 -8.499 -0.262 1.00 0.00 O ATOM 0 H TYR A 24 -5.149 -8.058 -4.468 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.325 -8.729 -1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.461 -6.449 -3.415 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.003 -6.013 -1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.844 -8.613 -3.440 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.415 -6.020 -0.110 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.309 -9.342 -2.510 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.266 -6.753 0.830 1.00 0.00 H new ATOM 0 HH TYR A 24 1.869 -8.969 -0.952 1.00 0.00 H new ATOM 358 N LYS A 25 -6.439 -7.844 -0.847 1.00 0.00 N ATOM 359 CA LYS A 25 -7.742 -7.430 -0.350 1.00 0.00 C ATOM 360 C LYS A 25 -7.689 -6.010 0.194 1.00 0.00 C ATOM 361 O LYS A 25 -7.463 -5.797 1.384 1.00 0.00 O ATOM 362 CB LYS A 25 -8.228 -8.386 0.744 1.00 0.00 C ATOM 363 CG LYS A 25 -9.730 -8.336 0.972 1.00 0.00 C ATOM 364 CD LYS A 25 -10.488 -9.064 -0.127 1.00 0.00 C ATOM 365 CE LYS A 25 -11.165 -8.092 -1.078 1.00 0.00 C ATOM 366 NZ LYS A 25 -12.571 -7.811 -0.678 1.00 0.00 N ATOM 0 H LYS A 25 -5.911 -8.437 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.443 -7.458 -1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.943 -9.404 0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.719 -8.146 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.967 -8.784 1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.058 -7.297 1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.800 -9.700 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.237 -9.719 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.602 -7.159 -1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.150 -8.502 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.133 -7.584 -1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.973 -8.648 -0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.591 -7.004 -0.022 1.00 0.00 H new ATOM 380 N VAL A 26 -7.909 -5.044 -0.685 1.00 0.00 N ATOM 381 CA VAL A 26 -7.898 -3.641 -0.299 1.00 0.00 C ATOM 382 C VAL A 26 -9.324 -3.115 -0.201 1.00 0.00 C ATOM 383 O VAL A 26 -9.844 -2.511 -1.139 1.00 0.00 O ATOM 384 CB VAL A 26 -7.097 -2.793 -1.305 1.00 0.00 C ATOM 385 CG1 VAL A 26 -6.890 -1.384 -0.773 1.00 0.00 C ATOM 386 CG2 VAL A 26 -5.760 -3.457 -1.618 1.00 0.00 C ATOM 0 H VAL A 26 -8.098 -5.207 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.415 -3.563 0.675 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.669 -2.725 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.322 -0.801 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.858 -0.912 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.341 -1.427 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.207 -2.844 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.181 -3.559 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.935 -4.443 -2.047 1.00 0.00 H new ATOM 396 N THR A 27 -9.955 -3.366 0.942 1.00 0.00 N ATOM 397 CA THR A 27 -11.327 -2.938 1.172 1.00 0.00 C ATOM 398 C THR A 27 -11.373 -1.505 1.684 1.00 0.00 C ATOM 399 O THR A 27 -11.723 -1.254 2.837 1.00 0.00 O ATOM 400 CB THR A 27 -12.007 -3.870 2.178 1.00 0.00 C ATOM 401 OG1 THR A 27 -11.539 -5.200 2.028 1.00 0.00 O ATOM 402 CG2 THR A 27 -13.515 -3.893 2.045 1.00 0.00 C ATOM 0 H THR A 27 -9.534 -3.866 1.725 1.00 0.00 H new ATOM 0 HA THR A 27 -11.859 -2.982 0.222 1.00 0.00 H new ATOM 0 HB THR A 27 -11.751 -3.473 3.160 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.984 -5.779 2.681 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.935 -4.573 2.786 1.00 0.00 H new ATOM 0 HG22 THR A 27 -13.910 -2.890 2.207 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.787 -4.233 1.046 1.00 0.00 H new ATOM 410 N THR A 28 -11.019 -0.567 0.813 1.00 0.00 N ATOM 411 CA THR A 28 -11.020 0.844 1.172 1.00 0.00 C ATOM 412 C THR A 28 -12.439 1.376 1.258 1.00 0.00 C ATOM 413 O THR A 28 -13.331 0.928 0.537 1.00 0.00 O ATOM 414 CB THR A 28 -10.203 1.653 0.163 1.00 0.00 C ATOM 415 OG1 THR A 28 -8.843 1.248 0.174 1.00 0.00 O ATOM 416 CG2 THR A 28 -10.247 3.149 0.412 1.00 0.00 C ATOM 0 H THR A 28 -10.728 -0.759 -0.146 1.00 0.00 H new ATOM 0 HA THR A 28 -10.558 0.948 2.154 1.00 0.00 H new ATOM 0 HB THR A 28 -10.663 1.453 -0.805 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.273 2.008 -0.066 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.647 3.661 -0.340 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.278 3.498 0.352 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.848 3.365 1.403 1.00 0.00 H new ATOM 424 N GLN A 29 -12.642 2.329 2.156 1.00 0.00 N ATOM 425 CA GLN A 29 -13.958 2.920 2.351 1.00 0.00 C ATOM 426 C GLN A 29 -13.851 4.391 2.712 1.00 0.00 C ATOM 427 O GLN A 29 -13.463 4.743 3.826 1.00 0.00 O ATOM 428 CB GLN A 29 -14.722 2.176 3.446 1.00 0.00 C ATOM 429 CG GLN A 29 -14.573 0.665 3.375 1.00 0.00 C ATOM 430 CD GLN A 29 -15.467 -0.057 4.364 1.00 0.00 C ATOM 431 OE1 GLN A 29 -15.002 -0.887 5.146 1.00 0.00 O ATOM 432 NE2 GLN A 29 -16.757 0.255 4.333 1.00 0.00 N ATOM 0 H GLN A 29 -11.914 2.709 2.760 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.502 2.833 1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.373 2.521 4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.779 2.432 3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.808 0.328 2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.534 0.397 3.567 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.098 0.949 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.407 -0.199 4.974 1.00 0.00 H new ATOM 441 N THR A 30 -14.206 5.244 1.765 1.00 0.00 N ATOM 442 CA THR A 30 -14.159 6.681 1.978 1.00 0.00 C ATOM 443 C THR A 30 -15.519 7.300 1.692 1.00 0.00 C ATOM 444 O THR A 30 -15.885 7.531 0.541 1.00 0.00 O ATOM 445 CB THR A 30 -13.103 7.309 1.076 1.00 0.00 C ATOM 446 OG1 THR A 30 -13.275 8.713 0.995 1.00 0.00 O ATOM 447 CG2 THR A 30 -13.146 6.755 -0.324 1.00 0.00 C ATOM 0 H THR A 30 -14.531 4.965 0.839 1.00 0.00 H new ATOM 0 HA THR A 30 -13.897 6.872 3.019 1.00 0.00 H new ATOM 0 HB THR A 30 -12.140 7.068 1.527 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.469 9.161 1.326 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.375 7.233 -0.928 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.970 5.680 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.124 6.951 -0.763 1.00 0.00 H new ATOM 455 N SER A 31 -16.256 7.566 2.756 1.00 0.00 N ATOM 456 CA SER A 31 -17.583 8.161 2.645 1.00 0.00 C ATOM 457 C SER A 31 -17.496 9.624 2.216 1.00 0.00 C ATOM 458 O SER A 31 -18.497 10.223 1.823 1.00 0.00 O ATOM 459 CB SER A 31 -18.325 8.054 3.979 1.00 0.00 C ATOM 460 OG SER A 31 -19.460 8.901 4.002 1.00 0.00 O ATOM 0 H SER A 31 -15.959 7.379 3.714 1.00 0.00 H new ATOM 0 HA SER A 31 -18.134 7.612 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.634 7.022 4.144 1.00 0.00 H new ATOM 0 HB3 SER A 31 -17.653 8.320 4.795 1.00 0.00 H new ATOM 0 HG SER A 31 -19.423 9.518 3.241 1.00 0.00 H new ATOM 466 N LEU A 32 -16.296 10.194 2.290 1.00 0.00 N ATOM 467 CA LEU A 32 -16.089 11.585 1.905 1.00 0.00 C ATOM 468 C LEU A 32 -16.162 11.739 0.390 1.00 0.00 C ATOM 469 O LEU A 32 -16.037 10.761 -0.346 1.00 0.00 O ATOM 470 CB LEU A 32 -14.731 12.080 2.411 1.00 0.00 C ATOM 471 CG LEU A 32 -14.737 12.673 3.822 1.00 0.00 C ATOM 472 CD1 LEU A 32 -15.418 11.727 4.798 1.00 0.00 C ATOM 473 CD2 LEU A 32 -13.315 12.976 4.275 1.00 0.00 C ATOM 0 H LEU A 32 -15.455 9.715 2.612 1.00 0.00 H new ATOM 0 HA LEU A 32 -16.879 12.185 2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.027 11.248 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.357 12.834 1.719 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.301 13.606 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.412 12.167 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.447 11.558 4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.884 10.777 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.335 13.397 5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.731 12.056 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.860 13.692 3.591 1.00 0.00 H new ATOM 485 N PRO A 33 -16.362 12.974 -0.100 1.00 0.00 N ATOM 486 CA PRO A 33 -16.443 13.244 -1.538 1.00 0.00 C ATOM 487 C PRO A 33 -15.096 13.052 -2.224 1.00 0.00 C ATOM 488 O PRO A 33 -14.527 13.994 -2.778 1.00 0.00 O ATOM 489 CB PRO A 33 -16.878 14.710 -1.603 1.00 0.00 C ATOM 490 CG PRO A 33 -16.420 15.301 -0.313 1.00 0.00 C ATOM 491 CD PRO A 33 -16.518 14.200 0.705 1.00 0.00 C ATOM 0 HA PRO A 33 -17.128 12.567 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -16.426 15.219 -2.454 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -17.959 14.797 -1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.397 15.668 -0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -17.042 16.150 -0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -15.740 14.284 1.464 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -17.475 14.219 1.226 1.00 0.00 H new ATOM 499 N LEU A 34 -14.586 11.824 -2.177 1.00 0.00 N ATOM 500 CA LEU A 34 -13.301 11.503 -2.785 1.00 0.00 C ATOM 501 C LEU A 34 -13.488 10.795 -4.121 1.00 0.00 C ATOM 502 O LEU A 34 -13.196 11.355 -5.178 1.00 0.00 O ATOM 503 CB LEU A 34 -12.474 10.629 -1.840 1.00 0.00 C ATOM 504 CG LEU A 34 -11.227 11.298 -1.261 1.00 0.00 C ATOM 505 CD1 LEU A 34 -11.609 12.269 -0.155 1.00 0.00 C ATOM 506 CD2 LEU A 34 -10.254 10.250 -0.744 1.00 0.00 C ATOM 0 H LEU A 34 -15.045 11.035 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.770 12.437 -2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -13.111 10.309 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.169 9.730 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.735 11.860 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.709 12.736 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.269 13.038 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.123 11.730 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.372 10.743 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.735 9.661 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.957 9.594 -1.562 1.00 0.00 H new ATOM 518 N PHE A 35 -13.967 9.555 -4.070 1.00 0.00 N ATOM 519 CA PHE A 35 -14.180 8.774 -5.281 1.00 0.00 C ATOM 520 C PHE A 35 -15.054 7.554 -5.012 1.00 0.00 C ATOM 521 O PHE A 35 -16.178 7.464 -5.504 1.00 0.00 O ATOM 522 CB PHE A 35 -12.835 8.327 -5.856 1.00 0.00 C ATOM 523 CG PHE A 35 -12.945 7.683 -7.208 1.00 0.00 C ATOM 524 CD1 PHE A 35 -13.762 8.228 -8.186 1.00 0.00 C ATOM 525 CD2 PHE A 35 -12.230 6.533 -7.502 1.00 0.00 C ATOM 526 CE1 PHE A 35 -13.863 7.638 -9.432 1.00 0.00 C ATOM 527 CE2 PHE A 35 -12.328 5.938 -8.745 1.00 0.00 C ATOM 528 CZ PHE A 35 -13.146 6.491 -9.711 1.00 0.00 C ATOM 0 H PHE A 35 -14.214 9.072 -3.206 1.00 0.00 H new ATOM 0 HA PHE A 35 -14.696 9.408 -6.002 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.174 9.191 -5.927 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -12.369 7.625 -5.165 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -14.326 9.124 -7.972 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -11.589 6.097 -6.751 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -14.502 8.073 -10.186 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -11.766 5.042 -8.961 1.00 0.00 H new ATOM 0 HZ PHE A 35 -13.225 6.027 -10.683 1.00 0.00 H new ATOM 538 N ARG A 36 -14.523 6.611 -4.240 1.00 0.00 N ATOM 539 CA ARG A 36 -15.250 5.385 -3.916 1.00 0.00 C ATOM 540 C ARG A 36 -16.677 5.689 -3.470 1.00 0.00 C ATOM 541 O ARG A 36 -17.638 5.243 -4.100 1.00 0.00 O ATOM 542 CB ARG A 36 -14.515 4.592 -2.827 1.00 0.00 C ATOM 543 CG ARG A 36 -12.993 4.625 -2.941 1.00 0.00 C ATOM 544 CD ARG A 36 -12.519 4.419 -4.377 1.00 0.00 C ATOM 545 NE ARG A 36 -12.034 3.061 -4.610 1.00 0.00 N ATOM 546 CZ ARG A 36 -11.982 2.488 -5.813 1.00 0.00 C ATOM 547 NH1 ARG A 36 -12.383 3.151 -6.892 1.00 0.00 N ATOM 548 NH2 ARG A 36 -11.525 1.249 -5.937 1.00 0.00 N ATOM 0 H ARG A 36 -13.592 6.671 -3.827 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.298 4.780 -4.822 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.803 4.985 -1.852 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.847 3.555 -2.863 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.623 5.581 -2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.566 3.850 -2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.339 4.632 -5.062 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.724 5.130 -4.601 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.717 2.520 -3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.734 4.105 -6.804 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.340 2.706 -7.809 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.214 0.735 -5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.485 0.810 -6.857 1.00 0.00 H new ATOM 562 N SER A 37 -16.810 6.452 -2.390 1.00 0.00 N ATOM 563 CA SER A 37 -18.123 6.818 -1.864 1.00 0.00 C ATOM 564 C SER A 37 -18.878 5.588 -1.363 1.00 0.00 C ATOM 565 O SER A 37 -19.100 5.431 -0.163 1.00 0.00 O ATOM 566 CB SER A 37 -18.946 7.532 -2.938 1.00 0.00 C ATOM 567 OG SER A 37 -20.157 8.037 -2.404 1.00 0.00 O ATOM 0 H SER A 37 -16.024 6.830 -1.860 1.00 0.00 H new ATOM 0 HA SER A 37 -17.970 7.493 -1.022 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.364 8.350 -3.362 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.165 6.841 -3.752 1.00 0.00 H new ATOM 0 HG SER A 37 -20.663 8.490 -3.111 1.00 0.00 H new ATOM 573 N LYS A 38 -19.272 4.722 -2.291 1.00 0.00 N ATOM 574 CA LYS A 38 -20.002 3.507 -1.949 1.00 0.00 C ATOM 575 C LYS A 38 -19.168 2.596 -1.052 1.00 0.00 C ATOM 576 O LYS A 38 -19.711 1.801 -0.285 1.00 0.00 O ATOM 577 CB LYS A 38 -20.405 2.759 -3.223 1.00 0.00 C ATOM 578 CG LYS A 38 -21.875 2.375 -3.264 1.00 0.00 C ATOM 579 CD LYS A 38 -22.440 2.481 -4.670 1.00 0.00 C ATOM 580 CE LYS A 38 -21.724 1.547 -5.632 1.00 0.00 C ATOM 581 NZ LYS A 38 -21.816 2.024 -7.040 1.00 0.00 N ATOM 0 H LYS A 38 -19.097 4.840 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 38 -20.899 3.795 -1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -20.177 3.382 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -19.800 1.857 -3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -21.996 1.355 -2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -22.440 3.023 -2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -23.504 2.243 -4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -22.349 3.508 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.676 1.463 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -22.155 0.549 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.316 1.360 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -22.815 2.080 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -21.382 2.966 -7.117 1.00 0.00 H new ATOM 595 N GLN A 39 -17.846 2.714 -1.156 1.00 0.00 N ATOM 596 CA GLN A 39 -16.935 1.899 -0.355 1.00 0.00 C ATOM 597 C GLN A 39 -16.971 0.441 -0.805 1.00 0.00 C ATOM 598 O GLN A 39 -18.042 -0.128 -1.017 1.00 0.00 O ATOM 599 CB GLN A 39 -17.292 1.995 1.131 1.00 0.00 C ATOM 600 CG GLN A 39 -17.522 3.420 1.611 1.00 0.00 C ATOM 601 CD GLN A 39 -18.767 3.555 2.466 1.00 0.00 C ATOM 602 OE1 GLN A 39 -18.742 3.290 3.668 1.00 0.00 O ATOM 603 NE2 GLN A 39 -19.868 3.970 1.849 1.00 0.00 N ATOM 0 H GLN A 39 -17.381 3.367 -1.787 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.925 2.283 -0.501 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.191 1.408 1.319 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -16.490 1.548 1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -16.655 3.751 2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -17.605 4.081 0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -19.845 4.179 0.851 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -20.736 4.080 2.373 1.00 0.00 H new ATOM 612 N PHE A 40 -15.792 -0.159 -0.944 1.00 0.00 N ATOM 613 CA PHE A 40 -15.685 -1.552 -1.366 1.00 0.00 C ATOM 614 C PHE A 40 -14.227 -1.994 -1.420 1.00 0.00 C ATOM 615 O PHE A 40 -13.339 -1.303 -0.922 1.00 0.00 O ATOM 616 CB PHE A 40 -16.337 -1.757 -2.735 1.00 0.00 C ATOM 617 CG PHE A 40 -16.111 -0.619 -3.689 1.00 0.00 C ATOM 618 CD1 PHE A 40 -14.895 -0.473 -4.346 1.00 0.00 C ATOM 619 CD2 PHE A 40 -17.115 0.303 -3.932 1.00 0.00 C ATOM 620 CE1 PHE A 40 -14.692 0.574 -5.225 1.00 0.00 C ATOM 621 CE2 PHE A 40 -16.916 1.350 -4.810 1.00 0.00 C ATOM 622 CZ PHE A 40 -15.703 1.486 -5.458 1.00 0.00 C ATOM 0 H PHE A 40 -14.897 0.298 -0.770 1.00 0.00 H new ATOM 0 HA PHE A 40 -16.210 -2.161 -0.630 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -15.949 -2.674 -3.179 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -17.409 -1.898 -2.599 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -14.102 -1.184 -4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -18.065 0.202 -3.429 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.743 0.679 -5.730 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -17.708 2.062 -4.990 1.00 0.00 H new ATOM 0 HZ PHE A 40 -15.546 2.304 -6.145 1.00 0.00 H new ATOM 632 N ALA A 41 -13.989 -3.157 -2.020 1.00 0.00 N ATOM 633 CA ALA A 41 -12.643 -3.695 -2.129 1.00 0.00 C ATOM 634 C ALA A 41 -12.232 -3.901 -3.582 1.00 0.00 C ATOM 635 O ALA A 41 -13.075 -3.973 -4.477 1.00 0.00 O ATOM 636 CB ALA A 41 -12.555 -5.004 -1.364 1.00 0.00 C ATOM 0 H ALA A 41 -14.713 -3.742 -2.437 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.952 -2.971 -1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.545 -5.406 -1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.791 -4.829 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.265 -5.718 -1.781 1.00 0.00 H new ATOM 642 N VAL A 42 -10.927 -4.003 -3.799 1.00 0.00 N ATOM 643 CA VAL A 42 -10.377 -4.211 -5.132 1.00 0.00 C ATOM 644 C VAL A 42 -9.141 -5.101 -5.055 1.00 0.00 C ATOM 645 O VAL A 42 -8.355 -5.005 -4.113 1.00 0.00 O ATOM 646 CB VAL A 42 -10.025 -2.867 -5.825 1.00 0.00 C ATOM 647 CG1 VAL A 42 -9.727 -1.786 -4.797 1.00 0.00 C ATOM 648 CG2 VAL A 42 -8.856 -3.028 -6.794 1.00 0.00 C ATOM 0 H VAL A 42 -10.225 -3.944 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.141 -4.703 -5.733 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.896 -2.558 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.483 -0.855 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.602 -1.634 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.882 -2.093 -4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.636 -2.068 -7.262 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.978 -3.376 -6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.118 -3.755 -7.563 1.00 0.00 H new ATOM 658 N LYS A 43 -8.979 -5.971 -6.045 1.00 0.00 N ATOM 659 CA LYS A 43 -7.842 -6.878 -6.075 1.00 0.00 C ATOM 660 C LYS A 43 -6.668 -6.265 -6.821 1.00 0.00 C ATOM 661 O LYS A 43 -6.766 -5.936 -8.003 1.00 0.00 O ATOM 662 CB LYS A 43 -8.237 -8.204 -6.716 1.00 0.00 C ATOM 663 CG LYS A 43 -9.143 -9.040 -5.834 1.00 0.00 C ATOM 664 CD LYS A 43 -8.409 -9.565 -4.612 1.00 0.00 C ATOM 665 CE LYS A 43 -9.298 -9.546 -3.378 1.00 0.00 C ATOM 666 NZ LYS A 43 -9.264 -10.843 -2.649 1.00 0.00 N ATOM 0 H LYS A 43 -9.619 -6.066 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.532 -7.060 -5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.740 -8.008 -7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.336 -8.773 -6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.996 -8.440 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.538 -9.878 -6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.068 -10.583 -4.800 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.521 -8.959 -4.431 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.976 -8.746 -2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.323 -9.322 -3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.228 -11.104 -2.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.877 -11.581 -3.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.663 -10.751 -1.805 1.00 0.00 H new ATOM 680 N ARG A 44 -5.558 -6.118 -6.115 1.00 0.00 N ATOM 681 CA ARG A 44 -4.350 -5.544 -6.700 1.00 0.00 C ATOM 682 C ARG A 44 -3.235 -6.581 -6.787 1.00 0.00 C ATOM 683 O ARG A 44 -3.083 -7.421 -5.898 1.00 0.00 O ATOM 684 CB ARG A 44 -3.882 -4.337 -5.884 1.00 0.00 C ATOM 685 CG ARG A 44 -3.332 -3.204 -6.737 1.00 0.00 C ATOM 686 CD ARG A 44 -4.428 -2.529 -7.545 1.00 0.00 C ATOM 687 NE ARG A 44 -4.662 -3.202 -8.822 1.00 0.00 N ATOM 688 CZ ARG A 44 -3.918 -3.011 -9.909 1.00 0.00 C ATOM 689 NH1 ARG A 44 -2.894 -2.167 -9.883 1.00 0.00 N ATOM 690 NH2 ARG A 44 -4.200 -3.666 -11.028 1.00 0.00 N ATOM 0 H ARG A 44 -5.466 -6.387 -5.136 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.591 -5.216 -7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.717 -3.963 -5.292 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.113 -4.659 -5.182 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.846 -2.468 -6.096 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.569 -3.593 -7.411 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.351 -2.519 -6.966 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.156 -1.490 -7.728 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.442 -3.857 -8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.673 -1.660 -9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.328 -2.026 -10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.986 -4.315 -11.055 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -3.630 -3.520 -11.862 1.00 0.00 H new ATOM 704 N ARG A 45 -2.459 -6.515 -7.863 1.00 0.00 N ATOM 705 CA ARG A 45 -1.356 -7.446 -8.072 1.00 0.00 C ATOM 706 C ARG A 45 -0.172 -7.099 -7.174 1.00 0.00 C ATOM 707 O ARG A 45 -0.109 -6.007 -6.608 1.00 0.00 O ATOM 708 CB ARG A 45 -0.922 -7.432 -9.540 1.00 0.00 C ATOM 709 CG ARG A 45 -0.771 -8.818 -10.145 1.00 0.00 C ATOM 710 CD ARG A 45 -0.311 -8.749 -11.592 1.00 0.00 C ATOM 711 NE ARG A 45 0.535 -9.885 -11.954 1.00 0.00 N ATOM 712 CZ ARG A 45 1.231 -9.960 -13.087 1.00 0.00 C ATOM 713 NH1 ARG A 45 1.185 -8.970 -13.969 1.00 0.00 N ATOM 714 NH2 ARG A 45 1.977 -11.028 -13.337 1.00 0.00 N ATOM 0 H ARG A 45 -2.574 -5.825 -8.605 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.703 -8.446 -7.812 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.653 -6.869 -10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.027 -6.903 -9.624 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.053 -9.394 -9.561 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.723 -9.346 -10.090 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.181 -8.722 -12.248 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.239 -7.822 -11.754 1.00 0.00 H new ATOM 0 HE ARG A 45 0.596 -10.666 -11.301 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.614 -8.146 -13.781 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.720 -9.033 -14.835 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.017 -11.791 -12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.510 -11.086 -14.205 1.00 0.00 H new ATOM 728 N PHE A 46 0.762 -8.035 -7.046 1.00 0.00 N ATOM 729 CA PHE A 46 1.944 -7.828 -6.216 1.00 0.00 C ATOM 730 C PHE A 46 2.855 -6.764 -6.818 1.00 0.00 C ATOM 731 O PHE A 46 3.394 -5.917 -6.105 1.00 0.00 O ATOM 732 CB PHE A 46 2.712 -9.141 -6.052 1.00 0.00 C ATOM 733 CG PHE A 46 3.345 -9.301 -4.700 1.00 0.00 C ATOM 734 CD1 PHE A 46 2.642 -9.876 -3.653 1.00 0.00 C ATOM 735 CD2 PHE A 46 4.645 -8.878 -4.475 1.00 0.00 C ATOM 736 CE1 PHE A 46 3.223 -10.025 -2.408 1.00 0.00 C ATOM 737 CE2 PHE A 46 5.232 -9.024 -3.231 1.00 0.00 C ATOM 738 CZ PHE A 46 4.519 -9.598 -2.197 1.00 0.00 C ATOM 0 H PHE A 46 0.724 -8.945 -7.506 1.00 0.00 H new ATOM 0 HA PHE A 46 1.613 -7.482 -5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.032 -9.975 -6.227 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.487 -9.197 -6.816 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.628 -10.212 -3.812 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.207 -8.429 -5.281 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.664 -10.475 -1.601 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.246 -8.690 -3.069 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.975 -9.713 -1.225 1.00 0.00 H new ATOM 748 N SER A 47 3.029 -6.815 -8.135 1.00 0.00 N ATOM 749 CA SER A 47 3.878 -5.857 -8.833 1.00 0.00 C ATOM 750 C SER A 47 3.289 -4.451 -8.771 1.00 0.00 C ATOM 751 O SER A 47 3.988 -3.488 -8.460 1.00 0.00 O ATOM 752 CB SER A 47 4.066 -6.277 -10.292 1.00 0.00 C ATOM 753 OG SER A 47 5.201 -7.113 -10.439 1.00 0.00 O ATOM 0 H SER A 47 2.593 -7.510 -8.740 1.00 0.00 H new ATOM 0 HA SER A 47 4.848 -5.846 -8.335 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.176 -6.802 -10.640 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.179 -5.391 -10.917 1.00 0.00 H new ATOM 0 HG SER A 47 5.299 -7.369 -11.380 1.00 0.00 H new ATOM 759 N ASP A 48 1.998 -4.340 -9.073 1.00 0.00 N ATOM 760 CA ASP A 48 1.318 -3.049 -9.054 1.00 0.00 C ATOM 761 C ASP A 48 1.414 -2.399 -7.678 1.00 0.00 C ATOM 762 O ASP A 48 1.809 -1.241 -7.554 1.00 0.00 O ATOM 763 CB ASP A 48 -0.148 -3.215 -9.451 1.00 0.00 C ATOM 764 CG ASP A 48 -0.315 -3.573 -10.915 1.00 0.00 C ATOM 765 OD1 ASP A 48 -0.219 -4.772 -11.247 1.00 0.00 O ATOM 766 OD2 ASP A 48 -0.543 -2.652 -11.728 1.00 0.00 O ATOM 0 H ASP A 48 1.403 -5.127 -9.333 1.00 0.00 H new ATOM 0 HA ASP A 48 1.812 -2.399 -9.776 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.602 -3.992 -8.836 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.685 -2.289 -9.243 1.00 0.00 H new ATOM 771 N PHE A 49 1.050 -3.154 -6.646 1.00 0.00 N ATOM 772 CA PHE A 49 1.099 -2.650 -5.279 1.00 0.00 C ATOM 773 C PHE A 49 2.527 -2.276 -4.899 1.00 0.00 C ATOM 774 O PHE A 49 2.763 -1.292 -4.198 1.00 0.00 O ATOM 775 CB PHE A 49 0.553 -3.698 -4.308 1.00 0.00 C ATOM 776 CG PHE A 49 -0.529 -3.175 -3.409 1.00 0.00 C ATOM 777 CD1 PHE A 49 -0.483 -1.875 -2.934 1.00 0.00 C ATOM 778 CD2 PHE A 49 -1.592 -3.982 -3.041 1.00 0.00 C ATOM 779 CE1 PHE A 49 -1.478 -1.389 -2.107 1.00 0.00 C ATOM 780 CE2 PHE A 49 -2.590 -3.503 -2.214 1.00 0.00 C ATOM 781 CZ PHE A 49 -2.533 -2.203 -1.746 1.00 0.00 C ATOM 0 H PHE A 49 0.719 -4.115 -6.731 1.00 0.00 H new ATOM 0 HA PHE A 49 0.478 -1.756 -5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.165 -4.542 -4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.372 -4.076 -3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.340 -1.234 -3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.642 -4.998 -3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.430 -0.373 -1.743 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.413 -4.143 -1.934 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.312 -1.826 -1.100 1.00 0.00 H new ATOM 791 N LEU A 50 3.473 -3.072 -5.378 1.00 0.00 N ATOM 792 CA LEU A 50 4.888 -2.847 -5.110 1.00 0.00 C ATOM 793 C LEU A 50 5.308 -1.444 -5.542 1.00 0.00 C ATOM 794 O LEU A 50 6.190 -0.834 -4.938 1.00 0.00 O ATOM 795 CB LEU A 50 5.735 -3.897 -5.835 1.00 0.00 C ATOM 796 CG LEU A 50 6.503 -4.857 -4.924 1.00 0.00 C ATOM 797 CD1 LEU A 50 7.665 -4.142 -4.254 1.00 0.00 C ATOM 798 CD2 LEU A 50 5.573 -5.462 -3.881 1.00 0.00 C ATOM 0 H LEU A 50 3.284 -3.888 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 50 5.051 -2.937 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.083 -4.481 -6.484 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.449 -3.383 -6.479 1.00 0.00 H new ATOM 0 HG LEU A 50 6.905 -5.665 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.199 -4.840 -3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.344 -3.758 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.286 -3.314 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.136 -6.142 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.142 -4.667 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.774 -6.011 -4.380 1.00 0.00 H new ATOM 810 N GLY A 51 4.681 -0.947 -6.604 1.00 0.00 N ATOM 811 CA GLY A 51 5.008 0.371 -7.119 1.00 0.00 C ATOM 812 C GLY A 51 5.062 1.445 -6.045 1.00 0.00 C ATOM 813 O GLY A 51 6.054 2.164 -5.940 1.00 0.00 O ATOM 0 H GLY A 51 3.949 -1.436 -7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.972 0.326 -7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.268 0.654 -7.868 1.00 0.00 H new ATOM 817 N LEU A 52 4.010 1.552 -5.240 1.00 0.00 N ATOM 818 CA LEU A 52 3.968 2.548 -4.175 1.00 0.00 C ATOM 819 C LEU A 52 4.995 2.212 -3.120 1.00 0.00 C ATOM 820 O LEU A 52 5.606 3.091 -2.518 1.00 0.00 O ATOM 821 CB LEU A 52 2.578 2.600 -3.534 1.00 0.00 C ATOM 822 CG LEU A 52 1.403 2.605 -4.510 1.00 0.00 C ATOM 823 CD1 LEU A 52 0.225 3.358 -3.911 1.00 0.00 C ATOM 824 CD2 LEU A 52 1.823 3.216 -5.837 1.00 0.00 C ATOM 0 H LEU A 52 3.179 0.964 -5.304 1.00 0.00 H new ATOM 0 HA LEU A 52 4.190 3.523 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.472 1.743 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.516 3.494 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 52 1.091 1.577 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.606 3.354 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.083 2.874 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.519 4.387 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.976 3.213 -6.523 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.156 4.241 -5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.638 2.632 -6.265 1.00 0.00 H new ATOM 836 N TYR A 53 5.168 0.925 -2.903 1.00 0.00 N ATOM 837 CA TYR A 53 6.117 0.447 -1.913 1.00 0.00 C ATOM 838 C TYR A 53 7.529 0.939 -2.222 1.00 0.00 C ATOM 839 O TYR A 53 8.178 1.561 -1.382 1.00 0.00 O ATOM 840 CB TYR A 53 6.097 -1.081 -1.845 1.00 0.00 C ATOM 841 CG TYR A 53 7.014 -1.651 -0.785 1.00 0.00 C ATOM 842 CD1 TYR A 53 6.915 -1.241 0.538 1.00 0.00 C ATOM 843 CD2 TYR A 53 7.979 -2.596 -1.111 1.00 0.00 C ATOM 844 CE1 TYR A 53 7.753 -1.759 1.509 1.00 0.00 C ATOM 845 CE2 TYR A 53 8.819 -3.119 -0.146 1.00 0.00 C ATOM 846 CZ TYR A 53 8.702 -2.697 1.162 1.00 0.00 C ATOM 847 OH TYR A 53 9.536 -3.214 2.127 1.00 0.00 O ATOM 0 H TYR A 53 4.665 0.189 -3.398 1.00 0.00 H new ATOM 0 HA TYR A 53 5.819 0.848 -0.944 1.00 0.00 H new ATOM 0 HB2 TYR A 53 5.078 -1.415 -1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.384 -1.484 -2.817 1.00 0.00 H new ATOM 0 HD1 TYR A 53 6.172 -0.507 0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.074 -2.927 -2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.664 -1.430 2.534 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.563 -3.854 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 53 10.146 -3.863 1.719 1.00 0.00 H new ATOM 857 N GLU A 54 7.999 0.651 -3.432 1.00 0.00 N ATOM 858 CA GLU A 54 9.338 1.058 -3.854 1.00 0.00 C ATOM 859 C GLU A 54 9.397 2.542 -4.214 1.00 0.00 C ATOM 860 O GLU A 54 10.362 3.230 -3.882 1.00 0.00 O ATOM 861 CB GLU A 54 9.809 0.212 -5.043 1.00 0.00 C ATOM 862 CG GLU A 54 8.724 -0.075 -6.069 1.00 0.00 C ATOM 863 CD GLU A 54 9.270 -0.187 -7.479 1.00 0.00 C ATOM 864 OE1 GLU A 54 9.685 0.849 -8.040 1.00 0.00 O ATOM 865 OE2 GLU A 54 9.284 -1.312 -8.022 1.00 0.00 O ATOM 0 H GLU A 54 7.473 0.137 -4.139 1.00 0.00 H new ATOM 0 HA GLU A 54 10.006 0.893 -3.008 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.634 0.726 -5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.200 -0.734 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.216 -1.003 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.977 0.718 -6.034 1.00 0.00 H new ATOM 872 N LYS A 55 8.372 3.027 -4.910 1.00 0.00 N ATOM 873 CA LYS A 55 8.323 4.427 -5.330 1.00 0.00 C ATOM 874 C LYS A 55 8.372 5.378 -4.138 1.00 0.00 C ATOM 875 O LYS A 55 9.150 6.332 -4.128 1.00 0.00 O ATOM 876 CB LYS A 55 7.062 4.694 -6.154 1.00 0.00 C ATOM 877 CG LYS A 55 7.100 4.073 -7.541 1.00 0.00 C ATOM 878 CD LYS A 55 5.707 3.969 -8.145 1.00 0.00 C ATOM 879 CE LYS A 55 5.514 4.967 -9.275 1.00 0.00 C ATOM 880 NZ LYS A 55 5.821 6.358 -8.844 1.00 0.00 N ATOM 0 H LYS A 55 7.565 2.473 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 55 9.204 4.612 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.197 4.307 -5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.922 5.771 -6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.736 4.673 -8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.548 3.081 -7.484 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.546 2.958 -8.520 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.960 4.145 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.157 4.696 -10.113 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.486 4.916 -9.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.694 7.006 -9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.179 6.632 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.805 6.409 -8.510 1.00 0.00 H new ATOM 894 N LEU A 56 7.533 5.122 -3.140 1.00 0.00 N ATOM 895 CA LEU A 56 7.482 5.968 -1.950 1.00 0.00 C ATOM 896 C LEU A 56 8.851 6.063 -1.282 1.00 0.00 C ATOM 897 O LEU A 56 9.303 7.150 -0.925 1.00 0.00 O ATOM 898 CB LEU A 56 6.450 5.427 -0.955 1.00 0.00 C ATOM 899 CG LEU A 56 5.004 5.889 -1.181 1.00 0.00 C ATOM 900 CD1 LEU A 56 4.777 7.253 -0.546 1.00 0.00 C ATOM 901 CD2 LEU A 56 4.665 5.929 -2.667 1.00 0.00 C ATOM 0 H LEU A 56 6.880 4.338 -3.130 1.00 0.00 H new ATOM 0 HA LEU A 56 7.185 6.969 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.474 4.338 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.753 5.720 0.050 1.00 0.00 H new ATOM 0 HG LEU A 56 4.341 5.167 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.747 7.566 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.966 7.191 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.455 7.980 -0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.634 6.260 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.335 6.623 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.783 4.933 -3.094 1.00 0.00 H new ATOM 913 N SER A 57 9.506 4.919 -1.115 1.00 0.00 N ATOM 914 CA SER A 57 10.822 4.876 -0.489 1.00 0.00 C ATOM 915 C SER A 57 11.903 5.358 -1.452 1.00 0.00 C ATOM 916 O SER A 57 12.897 5.955 -1.039 1.00 0.00 O ATOM 917 CB SER A 57 11.140 3.454 -0.022 1.00 0.00 C ATOM 918 OG SER A 57 10.720 2.497 -0.979 1.00 0.00 O ATOM 0 H SER A 57 9.147 4.009 -1.405 1.00 0.00 H new ATOM 0 HA SER A 57 10.806 5.543 0.373 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.212 3.355 0.149 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.646 3.262 0.930 1.00 0.00 H new ATOM 0 HG SER A 57 9.780 2.270 -0.823 1.00 0.00 H new ATOM 1417 N SER A 90 9.688 -17.642 3.260 1.00 0.00 N ATOM 1418 CA SER A 90 9.064 -16.334 3.087 1.00 0.00 C ATOM 1419 C SER A 90 7.547 -16.460 2.965 1.00 0.00 C ATOM 1420 O SER A 90 6.887 -15.590 2.397 1.00 0.00 O ATOM 1421 CB SER A 90 9.630 -15.637 1.849 1.00 0.00 C ATOM 1422 OG SER A 90 8.970 -14.405 1.610 1.00 0.00 O ATOM 0 HA SER A 90 9.288 -15.735 3.970 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.697 -15.461 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.520 -16.286 0.980 1.00 0.00 H new ATOM 0 HG SER A 90 8.004 -14.558 1.549 1.00 0.00 H new ATOM 1428 N ALA A 91 6.999 -17.547 3.502 1.00 0.00 N ATOM 1429 CA ALA A 91 5.560 -17.781 3.451 1.00 0.00 C ATOM 1430 C ALA A 91 4.813 -16.841 4.390 1.00 0.00 C ATOM 1431 O ALA A 91 3.804 -16.245 4.015 1.00 0.00 O ATOM 1432 CB ALA A 91 5.249 -19.231 3.795 1.00 0.00 C ATOM 0 H ALA A 91 7.529 -18.278 3.976 1.00 0.00 H new ATOM 0 HA ALA A 91 5.222 -17.578 2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.172 -19.392 3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.742 -19.889 3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.610 -19.452 4.799 1.00 0.00 H new ATOM 1438 N GLU A 92 5.315 -16.713 5.615 1.00 0.00 N ATOM 1439 CA GLU A 92 4.693 -15.847 6.610 1.00 0.00 C ATOM 1440 C GLU A 92 4.914 -14.376 6.269 1.00 0.00 C ATOM 1441 O GLU A 92 4.039 -13.539 6.490 1.00 0.00 O ATOM 1442 CB GLU A 92 5.252 -16.148 8.001 1.00 0.00 C ATOM 1443 CG GLU A 92 4.421 -15.561 9.131 1.00 0.00 C ATOM 1444 CD GLU A 92 4.938 -15.954 10.501 1.00 0.00 C ATOM 1445 OE1 GLU A 92 5.457 -17.082 10.638 1.00 0.00 O ATOM 1446 OE2 GLU A 92 4.824 -15.135 11.436 1.00 0.00 O ATOM 0 H GLU A 92 6.151 -17.198 5.942 1.00 0.00 H new ATOM 0 HA GLU A 92 3.621 -16.045 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 92 5.316 -17.228 8.132 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.268 -15.758 8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.416 -14.474 9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.388 -15.893 9.028 1.00 0.00 H new ATOM 1453 N PHE A 93 6.089 -14.068 5.730 1.00 0.00 N ATOM 1454 CA PHE A 93 6.424 -12.698 5.359 1.00 0.00 C ATOM 1455 C PHE A 93 5.405 -12.137 4.371 1.00 0.00 C ATOM 1456 O PHE A 93 5.054 -10.959 4.426 1.00 0.00 O ATOM 1457 CB PHE A 93 7.826 -12.639 4.753 1.00 0.00 C ATOM 1458 CG PHE A 93 8.389 -11.248 4.679 1.00 0.00 C ATOM 1459 CD1 PHE A 93 7.857 -10.317 3.802 1.00 0.00 C ATOM 1460 CD2 PHE A 93 9.448 -10.872 5.489 1.00 0.00 C ATOM 1461 CE1 PHE A 93 8.372 -9.037 3.734 1.00 0.00 C ATOM 1462 CE2 PHE A 93 9.968 -9.593 5.425 1.00 0.00 C ATOM 1463 CZ PHE A 93 9.429 -8.674 4.546 1.00 0.00 C ATOM 0 H PHE A 93 6.825 -14.748 5.540 1.00 0.00 H new ATOM 0 HA PHE A 93 6.401 -12.088 6.262 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.496 -13.262 5.345 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.798 -13.065 3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.031 -10.595 3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.872 -11.587 6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.948 -8.320 3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 93 10.794 -9.313 6.061 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.833 -7.674 4.494 1.00 0.00 H new ATOM 1473 N LEU A 94 4.934 -12.993 3.468 1.00 0.00 N ATOM 1474 CA LEU A 94 3.954 -12.586 2.467 1.00 0.00 C ATOM 1475 C LEU A 94 2.710 -12.000 3.130 1.00 0.00 C ATOM 1476 O LEU A 94 2.091 -11.075 2.605 1.00 0.00 O ATOM 1477 CB LEU A 94 3.566 -13.778 1.587 1.00 0.00 C ATOM 1478 CG LEU A 94 2.518 -13.480 0.514 1.00 0.00 C ATOM 1479 CD1 LEU A 94 3.172 -12.879 -0.722 1.00 0.00 C ATOM 1480 CD2 LEU A 94 1.753 -14.744 0.149 1.00 0.00 C ATOM 0 H LEU A 94 5.215 -13.972 3.409 1.00 0.00 H new ATOM 0 HA LEU A 94 4.407 -11.816 1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 94 4.464 -14.157 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.190 -14.576 2.228 1.00 0.00 H new ATOM 0 HG LEU A 94 1.813 -12.754 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.410 -12.674 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.675 -11.950 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.901 -13.582 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.012 -14.513 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.448 -15.492 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.251 -15.134 1.034 1.00 0.00 H new ATOM 1492 N GLU A 95 2.350 -12.547 4.287 1.00 0.00 N ATOM 1493 CA GLU A 95 1.181 -12.079 5.024 1.00 0.00 C ATOM 1494 C GLU A 95 1.487 -10.785 5.771 1.00 0.00 C ATOM 1495 O GLU A 95 0.719 -9.826 5.710 1.00 0.00 O ATOM 1496 CB GLU A 95 0.706 -13.151 6.007 1.00 0.00 C ATOM 1497 CG GLU A 95 0.257 -14.438 5.334 1.00 0.00 C ATOM 1498 CD GLU A 95 -0.835 -15.149 6.108 1.00 0.00 C ATOM 1499 OE1 GLU A 95 -0.503 -15.888 7.060 1.00 0.00 O ATOM 1500 OE2 GLU A 95 -2.022 -14.969 5.764 1.00 0.00 O ATOM 0 H GLU A 95 2.851 -13.315 4.734 1.00 0.00 H new ATOM 0 HA GLU A 95 0.387 -11.880 4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.514 -13.377 6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.120 -12.752 6.596 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.102 -14.213 4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.113 -15.104 5.224 1.00 0.00 H new ATOM 1507 N LYS A 96 2.614 -10.763 6.479 1.00 0.00 N ATOM 1508 CA LYS A 96 3.020 -9.585 7.241 1.00 0.00 C ATOM 1509 C LYS A 96 2.984 -8.329 6.373 1.00 0.00 C ATOM 1510 O LYS A 96 2.757 -7.225 6.868 1.00 0.00 O ATOM 1511 CB LYS A 96 4.425 -9.785 7.818 1.00 0.00 C ATOM 1512 CG LYS A 96 4.510 -9.536 9.315 1.00 0.00 C ATOM 1513 CD LYS A 96 3.520 -10.398 10.080 1.00 0.00 C ATOM 1514 CE LYS A 96 3.895 -10.507 11.549 1.00 0.00 C ATOM 1515 NZ LYS A 96 2.929 -11.347 12.310 1.00 0.00 N ATOM 0 H LYS A 96 3.262 -11.548 6.541 1.00 0.00 H new ATOM 0 HA LYS A 96 2.313 -9.453 8.060 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.753 -10.803 7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.117 -9.116 7.307 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.521 -9.746 9.663 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.314 -8.484 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.520 -9.973 9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.485 -11.394 9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.894 -10.933 11.637 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.933 -9.510 11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.221 -11.395 13.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.980 -10.927 12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.911 -12.306 11.908 1.00 0.00 H new ATOM 1529 N ARG A 97 3.208 -8.508 5.075 1.00 0.00 N ATOM 1530 CA ARG A 97 3.198 -7.395 4.132 1.00 0.00 C ATOM 1531 C ARG A 97 1.851 -6.680 4.144 1.00 0.00 C ATOM 1532 O ARG A 97 1.775 -5.472 3.914 1.00 0.00 O ATOM 1533 CB ARG A 97 3.513 -7.892 2.720 1.00 0.00 C ATOM 1534 CG ARG A 97 4.998 -7.910 2.397 1.00 0.00 C ATOM 1535 CD ARG A 97 5.261 -7.506 0.955 1.00 0.00 C ATOM 1536 NE ARG A 97 6.655 -7.124 0.738 1.00 0.00 N ATOM 1537 CZ ARG A 97 7.647 -7.998 0.584 1.00 0.00 C ATOM 1538 NH1 ARG A 97 7.404 -9.303 0.621 1.00 0.00 N ATOM 1539 NH2 ARG A 97 8.886 -7.566 0.391 1.00 0.00 N ATOM 0 H ARG A 97 3.399 -9.416 4.651 1.00 0.00 H new ATOM 0 HA ARG A 97 3.966 -6.686 4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.112 -8.898 2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 97 3.001 -7.257 1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.525 -7.232 3.068 1.00 0.00 H new ATOM 0 HG3 ARG A 97 5.398 -8.908 2.575 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.005 -8.334 0.294 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.611 -6.673 0.688 1.00 0.00 H new ATOM 0 HE ARG A 97 6.881 -6.130 0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.453 -9.641 0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.169 -9.968 0.502 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.078 -6.565 0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.647 -8.235 0.273 1.00 0.00 H new ATOM 1553 N ARG A 98 0.787 -7.434 4.412 1.00 0.00 N ATOM 1554 CA ARG A 98 -0.561 -6.876 4.453 1.00 0.00 C ATOM 1555 C ARG A 98 -0.634 -5.712 5.434 1.00 0.00 C ATOM 1556 O ARG A 98 -1.344 -4.731 5.212 1.00 0.00 O ATOM 1557 CB ARG A 98 -1.570 -7.960 4.851 1.00 0.00 C ATOM 1558 CG ARG A 98 -1.503 -8.352 6.321 1.00 0.00 C ATOM 1559 CD ARG A 98 -1.919 -9.799 6.537 1.00 0.00 C ATOM 1560 NE ARG A 98 -3.185 -9.899 7.261 1.00 0.00 N ATOM 1561 CZ ARG A 98 -3.340 -9.541 8.534 1.00 0.00 C ATOM 1562 NH1 ARG A 98 -2.314 -9.063 9.227 1.00 0.00 N ATOM 1563 NH2 ARG A 98 -4.526 -9.661 9.116 1.00 0.00 N ATOM 0 H ARG A 98 0.834 -8.435 4.604 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.809 -6.506 3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.576 -7.608 4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.397 -8.846 4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.488 -8.206 6.691 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.151 -7.696 6.902 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.012 -10.298 5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.140 -10.322 7.093 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.996 -10.264 6.762 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.400 -8.968 8.785 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.440 -8.791 10.202 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.318 -10.027 8.588 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -4.646 -9.387 10.091 1.00 0.00 H new ATOM 1577 N ALA A 99 0.112 -5.841 6.520 1.00 0.00 N ATOM 1578 CA ALA A 99 0.158 -4.822 7.557 1.00 0.00 C ATOM 1579 C ALA A 99 0.781 -3.530 7.038 1.00 0.00 C ATOM 1580 O ALA A 99 0.170 -2.464 7.103 1.00 0.00 O ATOM 1581 CB ALA A 99 0.939 -5.350 8.749 1.00 0.00 C ATOM 0 H ALA A 99 0.701 -6.652 6.707 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.862 -4.592 7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.975 -4.588 9.527 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.450 -6.243 9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.954 -5.599 8.438 1.00 0.00 H new ATOM 1587 N ALA A 100 1.999 -3.636 6.518 1.00 0.00 N ATOM 1588 CA ALA A 100 2.710 -2.480 5.983 1.00 0.00 C ATOM 1589 C ALA A 100 1.975 -1.890 4.786 1.00 0.00 C ATOM 1590 O ALA A 100 2.038 -0.685 4.540 1.00 0.00 O ATOM 1591 CB ALA A 100 4.130 -2.857 5.597 1.00 0.00 C ATOM 0 H ALA A 100 2.516 -4.513 6.455 1.00 0.00 H new ATOM 0 HA ALA A 100 2.751 -1.721 6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.644 -1.981 5.200 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.661 -3.222 6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.105 -3.638 4.837 1.00 0.00 H new ATOM 1597 N LEU A 101 1.284 -2.745 4.040 1.00 0.00 N ATOM 1598 CA LEU A 101 0.545 -2.306 2.864 1.00 0.00 C ATOM 1599 C LEU A 101 -0.510 -1.273 3.251 1.00 0.00 C ATOM 1600 O LEU A 101 -0.627 -0.225 2.614 1.00 0.00 O ATOM 1601 CB LEU A 101 -0.119 -3.508 2.179 1.00 0.00 C ATOM 1602 CG LEU A 101 0.583 -4.051 0.922 1.00 0.00 C ATOM 1603 CD1 LEU A 101 -0.150 -3.601 -0.334 1.00 0.00 C ATOM 1604 CD2 LEU A 101 2.047 -3.628 0.869 1.00 0.00 C ATOM 0 H LEU A 101 1.221 -3.745 4.229 1.00 0.00 H new ATOM 0 HA LEU A 101 1.244 -1.843 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.194 -4.317 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.137 -3.228 1.908 1.00 0.00 H new ATOM 0 HG LEU A 101 0.557 -5.140 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.360 -3.994 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.174 -3.974 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.162 -2.512 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.510 -4.030 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.111 -2.540 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.568 -4.011 1.746 1.00 0.00 H new ATOM 1616 N GLU A 102 -1.269 -1.568 4.300 1.00 0.00 N ATOM 1617 CA GLU A 102 -2.304 -0.656 4.769 1.00 0.00 C ATOM 1618 C GLU A 102 -1.696 0.559 5.461 1.00 0.00 C ATOM 1619 O GLU A 102 -2.161 1.684 5.281 1.00 0.00 O ATOM 1620 CB GLU A 102 -3.262 -1.368 5.723 1.00 0.00 C ATOM 1621 CG GLU A 102 -4.456 -0.517 6.121 1.00 0.00 C ATOM 1622 CD GLU A 102 -5.229 -1.106 7.285 1.00 0.00 C ATOM 1623 OE1 GLU A 102 -5.525 -2.318 7.250 1.00 0.00 O ATOM 1624 OE2 GLU A 102 -5.538 -0.353 8.234 1.00 0.00 O ATOM 0 H GLU A 102 -1.187 -2.429 4.840 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.861 -0.315 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.618 -2.284 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.718 -1.662 6.621 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -4.113 0.483 6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.122 -0.409 5.265 1.00 0.00 H new ATOM 1631 N ARG A 103 -0.657 0.325 6.259 1.00 0.00 N ATOM 1632 CA ARG A 103 0.003 1.408 6.981 1.00 0.00 C ATOM 1633 C ARG A 103 0.512 2.469 6.013 1.00 0.00 C ATOM 1634 O ARG A 103 0.283 3.662 6.210 1.00 0.00 O ATOM 1635 CB ARG A 103 1.164 0.864 7.815 1.00 0.00 C ATOM 1636 CG ARG A 103 0.785 -0.326 8.685 1.00 0.00 C ATOM 1637 CD ARG A 103 0.803 0.029 10.164 1.00 0.00 C ATOM 1638 NE ARG A 103 -0.434 -0.361 10.837 1.00 0.00 N ATOM 1639 CZ ARG A 103 -1.557 0.352 10.798 1.00 0.00 C ATOM 1640 NH1 ARG A 103 -1.603 1.494 10.123 1.00 0.00 N ATOM 1641 NH2 ARG A 103 -2.637 -0.078 11.436 1.00 0.00 N ATOM 0 H ARG A 103 -0.256 -0.599 6.421 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.728 1.866 7.648 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.974 0.572 7.147 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.548 1.661 8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.209 -0.678 8.407 1.00 0.00 H new ATOM 0 HG3 ARG A 103 1.477 -1.147 8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 103 1.648 -0.464 10.645 1.00 0.00 H new ATOM 0 HD3 ARG A 103 0.954 1.103 10.277 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.437 -1.232 11.368 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -0.775 1.829 9.631 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -2.466 2.036 10.097 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -2.607 -0.955 11.956 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.498 0.468 11.406 1.00 0.00 H new ATOM 1655 N TYR A 104 1.192 2.030 4.960 1.00 0.00 N ATOM 1656 CA TYR A 104 1.716 2.952 3.961 1.00 0.00 C ATOM 1657 C TYR A 104 0.579 3.550 3.133 1.00 0.00 C ATOM 1658 O TYR A 104 0.583 4.742 2.827 1.00 0.00 O ATOM 1659 CB TYR A 104 2.741 2.250 3.058 1.00 0.00 C ATOM 1660 CG TYR A 104 2.192 1.789 1.726 1.00 0.00 C ATOM 1661 CD1 TYR A 104 2.032 2.678 0.670 1.00 0.00 C ATOM 1662 CD2 TYR A 104 1.833 0.466 1.529 1.00 0.00 C ATOM 1663 CE1 TYR A 104 1.529 2.257 -0.546 1.00 0.00 C ATOM 1664 CE2 TYR A 104 1.327 0.035 0.316 1.00 0.00 C ATOM 1665 CZ TYR A 104 1.177 0.936 -0.717 1.00 0.00 C ATOM 1666 OH TYR A 104 0.674 0.515 -1.926 1.00 0.00 O ATOM 0 H TYR A 104 1.392 1.047 4.777 1.00 0.00 H new ATOM 0 HA TYR A 104 2.224 3.766 4.478 1.00 0.00 H new ATOM 0 HB2 TYR A 104 3.573 2.930 2.878 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.143 1.387 3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 104 2.305 3.715 0.802 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.950 -0.241 2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 104 1.412 2.960 -1.358 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.051 -1.000 0.179 1.00 0.00 H new ATOM 0 HH TYR A 104 0.319 -0.394 -1.834 1.00 0.00 H new ATOM 1676 N LEU A 105 -0.392 2.712 2.773 1.00 0.00 N ATOM 1677 CA LEU A 105 -1.530 3.158 1.978 1.00 0.00 C ATOM 1678 C LEU A 105 -2.313 4.250 2.694 1.00 0.00 C ATOM 1679 O LEU A 105 -2.772 5.206 2.070 1.00 0.00 O ATOM 1680 CB LEU A 105 -2.459 1.988 1.669 1.00 0.00 C ATOM 1681 CG LEU A 105 -3.544 2.285 0.631 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -3.202 1.631 -0.701 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -4.906 1.818 1.133 1.00 0.00 C ATOM 0 H LEU A 105 -0.412 1.723 3.020 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.137 3.565 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.859 1.149 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.939 1.670 2.594 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.591 3.363 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.984 1.853 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.250 2.019 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.126 0.552 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.665 2.037 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.877 0.744 1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.151 2.338 2.059 1.00 0.00 H new ATOM 1695 N GLN A 106 -2.472 4.104 4.008 1.00 0.00 N ATOM 1696 CA GLN A 106 -3.211 5.085 4.789 1.00 0.00 C ATOM 1697 C GLN A 106 -2.637 6.482 4.582 1.00 0.00 C ATOM 1698 O GLN A 106 -3.358 7.477 4.640 1.00 0.00 O ATOM 1699 CB GLN A 106 -3.185 4.732 6.273 1.00 0.00 C ATOM 1700 CG GLN A 106 -4.254 3.732 6.680 1.00 0.00 C ATOM 1701 CD GLN A 106 -4.792 3.985 8.074 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -4.229 3.518 9.064 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -5.889 4.730 8.160 1.00 0.00 N ATOM 0 H GLN A 106 -2.101 3.322 4.548 1.00 0.00 H new ATOM 0 HA GLN A 106 -4.245 5.072 4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.205 4.326 6.524 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.311 5.644 6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -5.076 3.774 5.965 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.840 2.725 6.632 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -6.324 5.097 7.314 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -6.296 4.935 9.072 1.00 0.00 H new ATOM 1712 N ARG A 107 -1.334 6.549 4.325 1.00 0.00 N ATOM 1713 CA ARG A 107 -0.678 7.827 4.092 1.00 0.00 C ATOM 1714 C ARG A 107 -1.128 8.401 2.757 1.00 0.00 C ATOM 1715 O ARG A 107 -1.487 9.574 2.658 1.00 0.00 O ATOM 1716 CB ARG A 107 0.845 7.670 4.096 1.00 0.00 C ATOM 1717 CG ARG A 107 1.381 6.877 5.274 1.00 0.00 C ATOM 1718 CD ARG A 107 2.722 6.237 4.944 1.00 0.00 C ATOM 1719 NE ARG A 107 3.846 7.052 5.396 1.00 0.00 N ATOM 1720 CZ ARG A 107 5.089 6.922 4.937 1.00 0.00 C ATOM 1721 NH1 ARG A 107 5.371 6.012 4.012 1.00 0.00 N ATOM 1722 NH2 ARG A 107 6.054 7.701 5.407 1.00 0.00 N ATOM 0 H ARG A 107 -0.717 5.738 4.273 1.00 0.00 H new ATOM 0 HA ARG A 107 -0.957 8.507 4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.152 7.180 3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.302 8.660 4.099 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.491 7.533 6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.665 6.104 5.551 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.778 5.253 5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.795 6.085 3.867 1.00 0.00 H new ATOM 0 HE ARG A 107 3.668 7.763 6.105 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.633 5.408 3.649 1.00 0.00 H new ATOM 0 HH12 ARG A 107 6.325 5.917 3.664 1.00 0.00 H new ATOM 0 HH21 ARG A 107 5.844 8.399 6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.006 7.602 5.056 1.00 0.00 H new ATOM 1736 N ILE A 108 -1.106 7.557 1.730 1.00 0.00 N ATOM 1737 CA ILE A 108 -1.514 7.971 0.397 1.00 0.00 C ATOM 1738 C ILE A 108 -2.996 8.330 0.376 1.00 0.00 C ATOM 1739 O ILE A 108 -3.383 9.377 -0.144 1.00 0.00 O ATOM 1740 CB ILE A 108 -1.222 6.870 -0.648 1.00 0.00 C ATOM 1741 CG1 ILE A 108 0.286 6.616 -0.739 1.00 0.00 C ATOM 1742 CG2 ILE A 108 -1.778 7.250 -2.016 1.00 0.00 C ATOM 1743 CD1 ILE A 108 0.689 5.218 -0.333 1.00 0.00 C ATOM 0 H ILE A 108 -0.810 6.583 1.798 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.932 8.854 0.134 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.718 5.954 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.616 6.798 -1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 108 0.806 7.334 -0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.558 6.457 -2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -2.857 7.386 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.317 8.179 -2.351 1.00 0.00 H new ATOM 0 HD11 ILE A 108 1.770 5.111 -0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.391 5.039 0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.197 4.494 -0.983 1.00 0.00 H new ATOM 1755 N VAL A 109 -3.825 7.470 0.955 1.00 0.00 N ATOM 1756 CA VAL A 109 -5.255 7.728 1.001 1.00 0.00 C ATOM 1757 C VAL A 109 -5.537 8.971 1.840 1.00 0.00 C ATOM 1758 O VAL A 109 -6.428 9.759 1.523 1.00 0.00 O ATOM 1759 CB VAL A 109 -6.039 6.527 1.567 1.00 0.00 C ATOM 1760 CG1 VAL A 109 -5.718 5.262 0.784 1.00 0.00 C ATOM 1761 CG2 VAL A 109 -5.744 6.333 3.046 1.00 0.00 C ATOM 0 H VAL A 109 -3.534 6.597 1.395 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.591 7.892 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.103 6.737 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.281 4.425 1.198 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -5.992 5.402 -0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -4.651 5.052 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.309 5.480 3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.678 6.151 3.184 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.033 7.229 3.595 1.00 0.00 H new ATOM 1771 N ASN A 110 -4.760 9.142 2.909 1.00 0.00 N ATOM 1772 CA ASN A 110 -4.914 10.294 3.793 1.00 0.00 C ATOM 1773 C ASN A 110 -4.920 11.607 3.004 1.00 0.00 C ATOM 1774 O ASN A 110 -5.944 12.286 2.923 1.00 0.00 O ATOM 1775 CB ASN A 110 -3.786 10.317 4.829 1.00 0.00 C ATOM 1776 CG ASN A 110 -4.229 9.783 6.179 1.00 0.00 C ATOM 1777 OD1 ASN A 110 -3.649 8.833 6.704 1.00 0.00 O ATOM 1778 ND2 ASN A 110 -5.261 10.395 6.747 1.00 0.00 N ATOM 0 H ASN A 110 -4.018 8.497 3.183 1.00 0.00 H new ATOM 0 HA ASN A 110 -5.873 10.199 4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -2.948 9.723 4.463 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -3.425 11.339 4.946 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -5.603 10.081 7.655 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.712 11.179 6.275 1.00 0.00 H new ATOM 1785 N HIS A 111 -3.770 11.962 2.431 1.00 0.00 N ATOM 1786 CA HIS A 111 -3.648 13.199 1.660 1.00 0.00 C ATOM 1787 C HIS A 111 -3.679 12.921 0.154 1.00 0.00 C ATOM 1788 O HIS A 111 -2.922 12.092 -0.347 1.00 0.00 O ATOM 1789 CB HIS A 111 -2.354 13.926 2.032 1.00 0.00 C ATOM 1790 CG HIS A 111 -2.509 15.411 2.138 1.00 0.00 C ATOM 1791 ND1 HIS A 111 -2.371 16.100 3.324 1.00 0.00 N ATOM 1792 CD2 HIS A 111 -2.788 16.343 1.196 1.00 0.00 C ATOM 1793 CE1 HIS A 111 -2.559 17.389 3.108 1.00 0.00 C ATOM 1794 NE2 HIS A 111 -2.813 17.563 1.824 1.00 0.00 N ATOM 0 H HIS A 111 -2.912 11.413 2.486 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.500 13.833 1.905 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.990 13.538 2.984 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -1.593 13.701 1.285 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -2.959 16.160 0.145 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -2.513 18.168 3.854 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.998 18.459 1.372 1.00 0.00 H new ATOM 1803 N PRO A 112 -4.567 13.610 -0.588 1.00 0.00 N ATOM 1804 CA PRO A 112 -4.700 13.431 -2.041 1.00 0.00 C ATOM 1805 C PRO A 112 -3.537 14.020 -2.847 1.00 0.00 C ATOM 1806 O PRO A 112 -3.067 13.413 -3.808 1.00 0.00 O ATOM 1807 CB PRO A 112 -5.995 14.177 -2.368 1.00 0.00 C ATOM 1808 CG PRO A 112 -6.099 15.223 -1.316 1.00 0.00 C ATOM 1809 CD PRO A 112 -5.519 14.614 -0.070 1.00 0.00 C ATOM 0 HA PRO A 112 -4.703 12.374 -2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -5.958 14.618 -3.364 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -6.855 13.507 -2.348 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.552 16.121 -1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -7.137 15.518 -1.160 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -5.019 15.361 0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.290 14.155 0.549 1.00 0.00 H new ATOM 1817 N THR A 113 -3.107 15.223 -2.475 1.00 0.00 N ATOM 1818 CA THR A 113 -2.034 15.918 -3.191 1.00 0.00 C ATOM 1819 C THR A 113 -0.644 15.353 -2.886 1.00 0.00 C ATOM 1820 O THR A 113 0.245 15.397 -3.737 1.00 0.00 O ATOM 1821 CB THR A 113 -2.063 17.409 -2.854 1.00 0.00 C ATOM 1822 OG1 THR A 113 -3.355 17.947 -3.077 1.00 0.00 O ATOM 1823 CG2 THR A 113 -1.079 18.225 -3.664 1.00 0.00 C ATOM 0 H THR A 113 -3.484 15.740 -1.681 1.00 0.00 H new ATOM 0 HA THR A 113 -2.217 15.764 -4.254 1.00 0.00 H new ATOM 0 HB THR A 113 -1.784 17.474 -1.802 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.355 18.901 -2.854 1.00 0.00 H new ATOM 0 HG21 THR A 113 -1.151 19.274 -3.375 1.00 0.00 H new ATOM 0 HG22 THR A 113 -0.067 17.866 -3.476 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.309 18.124 -4.725 1.00 0.00 H new ATOM 1831 N MET A 114 -0.448 14.847 -1.676 1.00 0.00 N ATOM 1832 CA MET A 114 0.854 14.305 -1.279 1.00 0.00 C ATOM 1833 C MET A 114 1.338 13.227 -2.248 1.00 0.00 C ATOM 1834 O MET A 114 2.539 13.023 -2.418 1.00 0.00 O ATOM 1835 CB MET A 114 0.778 13.734 0.141 1.00 0.00 C ATOM 1836 CG MET A 114 0.180 12.338 0.226 1.00 0.00 C ATOM 1837 SD MET A 114 0.482 11.553 1.818 1.00 0.00 S ATOM 1838 CE MET A 114 1.241 10.020 1.288 1.00 0.00 C ATOM 0 H MET A 114 -1.166 14.798 -0.953 1.00 0.00 H new ATOM 0 HA MET A 114 1.573 15.124 -1.304 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.782 13.712 0.565 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.185 14.408 0.759 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.894 12.395 0.051 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.599 11.718 -0.566 1.00 0.00 H new ATOM 0 HE1 MET A 114 1.044 9.242 2.026 1.00 0.00 H new ATOM 0 HE2 MET A 114 0.825 9.721 0.326 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.317 10.162 1.189 1.00 0.00 H new ATOM 1848 N LEU A 115 0.392 12.531 -2.861 1.00 0.00 N ATOM 1849 CA LEU A 115 0.704 11.454 -3.794 1.00 0.00 C ATOM 1850 C LEU A 115 1.597 11.932 -4.932 1.00 0.00 C ATOM 1851 O LEU A 115 2.637 11.332 -5.205 1.00 0.00 O ATOM 1852 CB LEU A 115 -0.591 10.871 -4.363 1.00 0.00 C ATOM 1853 CG LEU A 115 -1.530 10.199 -3.347 1.00 0.00 C ATOM 1854 CD1 LEU A 115 -1.068 10.418 -1.909 1.00 0.00 C ATOM 1855 CD2 LEU A 115 -2.953 10.705 -3.525 1.00 0.00 C ATOM 0 H LEU A 115 -0.606 12.693 -2.729 1.00 0.00 H new ATOM 0 HA LEU A 115 1.247 10.685 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.139 11.671 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -0.332 10.139 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 115 -1.504 9.127 -3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.760 9.926 -1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.071 9.998 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.043 11.486 -1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.605 10.220 -2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -2.977 11.784 -3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.298 10.474 -4.533 1.00 0.00 H new ATOM 1867 N GLN A 116 1.183 13.004 -5.596 1.00 0.00 N ATOM 1868 CA GLN A 116 1.940 13.560 -6.714 1.00 0.00 C ATOM 1869 C GLN A 116 1.907 12.611 -7.914 1.00 0.00 C ATOM 1870 O GLN A 116 1.363 12.947 -8.965 1.00 0.00 O ATOM 1871 CB GLN A 116 3.389 13.858 -6.291 1.00 0.00 C ATOM 1872 CG GLN A 116 4.412 13.730 -7.413 1.00 0.00 C ATOM 1873 CD GLN A 116 5.771 14.286 -7.030 1.00 0.00 C ATOM 1874 OE1 GLN A 116 6.015 14.612 -5.868 1.00 0.00 O ATOM 1875 NE2 GLN A 116 6.661 14.395 -8.009 1.00 0.00 N ATOM 0 H GLN A 116 0.323 13.509 -5.379 1.00 0.00 H new ATOM 0 HA GLN A 116 1.473 14.499 -7.012 1.00 0.00 H new ATOM 0 HB2 GLN A 116 3.436 14.869 -5.887 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.666 13.179 -5.484 1.00 0.00 H new ATOM 0 HG2 GLN A 116 4.517 12.680 -7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.045 14.254 -8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.413 14.112 -8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 116 7.592 14.762 -7.813 1.00 0.00 H new ATOM 1884 N ASP A 117 2.488 11.424 -7.750 1.00 0.00 N ATOM 1885 CA ASP A 117 2.515 10.436 -8.822 1.00 0.00 C ATOM 1886 C ASP A 117 1.096 10.088 -9.272 1.00 0.00 C ATOM 1887 O ASP A 117 0.261 9.690 -8.459 1.00 0.00 O ATOM 1888 CB ASP A 117 3.248 9.176 -8.363 1.00 0.00 C ATOM 1889 CG ASP A 117 4.735 9.235 -8.651 1.00 0.00 C ATOM 1890 OD1 ASP A 117 5.114 9.802 -9.699 1.00 0.00 O ATOM 1891 OD2 ASP A 117 5.521 8.718 -7.830 1.00 0.00 O ATOM 0 H ASP A 117 2.944 11.126 -6.888 1.00 0.00 H new ATOM 0 HA ASP A 117 3.049 10.864 -9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 117 3.093 9.038 -7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 117 2.818 8.307 -8.862 1.00 0.00 H new ATOM 1896 N PRO A 118 0.796 10.245 -10.575 1.00 0.00 N ATOM 1897 CA PRO A 118 -0.537 9.957 -11.121 1.00 0.00 C ATOM 1898 C PRO A 118 -0.987 8.518 -10.877 1.00 0.00 C ATOM 1899 O PRO A 118 -2.186 8.241 -10.821 1.00 0.00 O ATOM 1900 CB PRO A 118 -0.376 10.207 -12.625 1.00 0.00 C ATOM 1901 CG PRO A 118 0.805 11.105 -12.742 1.00 0.00 C ATOM 1902 CD PRO A 118 1.722 10.728 -11.615 1.00 0.00 C ATOM 0 HA PRO A 118 -1.298 10.575 -10.644 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -0.217 9.274 -13.165 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -1.268 10.671 -13.046 1.00 0.00 H new ATOM 0 HG2 PRO A 118 1.298 10.978 -13.706 1.00 0.00 H new ATOM 0 HG3 PRO A 118 0.509 12.151 -12.671 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.431 9.955 -11.914 1.00 0.00 H new ATOM 0 HD3 PRO A 118 2.307 11.580 -11.269 1.00 0.00 H new ATOM 1910 N ASP A 119 -0.032 7.603 -10.742 1.00 0.00 N ATOM 1911 CA ASP A 119 -0.361 6.198 -10.518 1.00 0.00 C ATOM 1912 C ASP A 119 -0.817 5.956 -9.093 1.00 0.00 C ATOM 1913 O ASP A 119 -1.864 5.357 -8.857 1.00 0.00 O ATOM 1914 CB ASP A 119 0.837 5.302 -10.801 1.00 0.00 C ATOM 1915 CG ASP A 119 1.715 5.819 -11.924 1.00 0.00 C ATOM 1916 OD1 ASP A 119 1.208 5.964 -13.056 1.00 0.00 O ATOM 1917 OD2 ASP A 119 2.911 6.078 -11.670 1.00 0.00 O ATOM 0 H ASP A 119 0.967 7.805 -10.783 1.00 0.00 H new ATOM 0 HA ASP A 119 -1.172 5.954 -11.204 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.435 5.208 -9.894 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.484 4.303 -11.055 1.00 0.00 H new ATOM 1922 N VAL A 120 -0.015 6.414 -8.145 1.00 0.00 N ATOM 1923 CA VAL A 120 -0.328 6.237 -6.738 1.00 0.00 C ATOM 1924 C VAL A 120 -1.657 6.887 -6.404 1.00 0.00 C ATOM 1925 O VAL A 120 -2.401 6.410 -5.547 1.00 0.00 O ATOM 1926 CB VAL A 120 0.769 6.816 -5.838 1.00 0.00 C ATOM 1927 CG1 VAL A 120 0.595 6.309 -4.416 1.00 0.00 C ATOM 1928 CG2 VAL A 120 2.140 6.454 -6.388 1.00 0.00 C ATOM 0 H VAL A 120 0.857 6.911 -8.325 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.392 5.165 -6.552 1.00 0.00 H new ATOM 0 HB VAL A 120 0.688 7.903 -5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.379 6.725 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.380 6.617 -4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.661 5.221 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.913 6.870 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 120 2.243 5.369 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 120 2.249 6.863 -7.393 1.00 0.00 H new ATOM 1938 N ARG A 121 -1.960 7.966 -7.111 1.00 0.00 N ATOM 1939 CA ARG A 121 -3.213 8.672 -6.918 1.00 0.00 C ATOM 1940 C ARG A 121 -4.383 7.730 -7.182 1.00 0.00 C ATOM 1941 O ARG A 121 -5.458 7.884 -6.603 1.00 0.00 O ATOM 1942 CB ARG A 121 -3.286 9.894 -7.840 1.00 0.00 C ATOM 1943 CG ARG A 121 -4.658 10.554 -7.884 1.00 0.00 C ATOM 1944 CD ARG A 121 -5.134 10.955 -6.496 1.00 0.00 C ATOM 1945 NE ARG A 121 -6.455 10.411 -6.191 1.00 0.00 N ATOM 1946 CZ ARG A 121 -7.247 10.883 -5.231 1.00 0.00 C ATOM 1947 NH1 ARG A 121 -6.853 11.905 -4.481 1.00 0.00 N ATOM 1948 NH2 ARG A 121 -8.433 10.330 -5.019 1.00 0.00 N ATOM 0 H ARG A 121 -1.353 8.370 -7.824 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.268 9.021 -5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.551 10.629 -7.512 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.006 9.592 -8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.617 11.436 -8.524 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.378 9.868 -8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -4.418 10.606 -5.752 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.164 12.042 -6.423 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.790 9.624 -6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -5.940 12.332 -4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -7.463 12.264 -3.746 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -8.738 9.543 -5.591 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -9.040 10.692 -4.283 1.00 0.00 H new ATOM 1962 N GLU A 122 -4.171 6.756 -8.071 1.00 0.00 N ATOM 1963 CA GLU A 122 -5.224 5.801 -8.412 1.00 0.00 C ATOM 1964 C GLU A 122 -4.847 4.368 -8.024 1.00 0.00 C ATOM 1965 O GLU A 122 -5.650 3.449 -8.192 1.00 0.00 O ATOM 1966 CB GLU A 122 -5.551 5.867 -9.911 1.00 0.00 C ATOM 1967 CG GLU A 122 -4.497 6.579 -10.751 1.00 0.00 C ATOM 1968 CD GLU A 122 -4.990 6.918 -12.145 1.00 0.00 C ATOM 1969 OE1 GLU A 122 -6.045 6.383 -12.549 1.00 0.00 O ATOM 1970 OE2 GLU A 122 -4.321 7.715 -12.833 1.00 0.00 O ATOM 0 H GLU A 122 -3.289 6.610 -8.562 1.00 0.00 H new ATOM 0 HA GLU A 122 -6.107 6.082 -7.838 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -5.676 4.852 -10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -6.507 6.375 -10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -4.193 7.495 -10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -3.612 5.948 -10.827 1.00 0.00 H new ATOM 1977 N PHE A 123 -3.634 4.172 -7.511 1.00 0.00 N ATOM 1978 CA PHE A 123 -3.187 2.840 -7.114 1.00 0.00 C ATOM 1979 C PHE A 123 -3.691 2.479 -5.723 1.00 0.00 C ATOM 1980 O PHE A 123 -3.840 1.303 -5.389 1.00 0.00 O ATOM 1981 CB PHE A 123 -1.661 2.755 -7.164 1.00 0.00 C ATOM 1982 CG PHE A 123 -1.112 2.487 -8.541 1.00 0.00 C ATOM 1983 CD1 PHE A 123 -1.942 2.481 -9.652 1.00 0.00 C ATOM 1984 CD2 PHE A 123 0.239 2.233 -8.718 1.00 0.00 C ATOM 1985 CE1 PHE A 123 -1.435 2.227 -10.913 1.00 0.00 C ATOM 1986 CE2 PHE A 123 0.750 1.976 -9.977 1.00 0.00 C ATOM 1987 CZ PHE A 123 -0.088 1.973 -11.075 1.00 0.00 C ATOM 0 H PHE A 123 -2.949 4.912 -7.362 1.00 0.00 H new ATOM 0 HA PHE A 123 -3.605 2.122 -7.819 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -1.242 3.690 -6.791 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -1.328 1.966 -6.490 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -2.997 2.677 -9.531 1.00 0.00 H new ATOM 0 HD2 PHE A 123 0.900 2.236 -7.864 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -2.092 2.227 -11.770 1.00 0.00 H new ATOM 0 HE2 PHE A 123 1.804 1.778 -10.102 1.00 0.00 H new ATOM 0 HZ PHE A 123 0.310 1.772 -12.059 1.00 0.00 H new ATOM 1997 N LEU A 124 -3.950 3.499 -4.915 1.00 0.00 N ATOM 1998 CA LEU A 124 -4.437 3.295 -3.553 1.00 0.00 C ATOM 1999 C LEU A 124 -5.657 2.377 -3.532 1.00 0.00 C ATOM 2000 O LEU A 124 -5.936 1.723 -2.527 1.00 0.00 O ATOM 2001 CB LEU A 124 -4.790 4.638 -2.911 1.00 0.00 C ATOM 2002 CG LEU A 124 -5.816 5.472 -3.680 1.00 0.00 C ATOM 2003 CD1 LEU A 124 -7.222 5.193 -3.169 1.00 0.00 C ATOM 2004 CD2 LEU A 124 -5.490 6.953 -3.567 1.00 0.00 C ATOM 0 H LEU A 124 -3.831 4.477 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 124 -3.640 2.819 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -5.172 4.454 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -3.877 5.223 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 124 -5.771 5.189 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.938 5.795 -3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -7.454 4.136 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.282 5.447 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -6.230 7.532 -4.120 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -5.507 7.250 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.499 7.140 -3.982 1.00 0.00 H new ATOM 2016 N GLU A 125 -6.382 2.332 -4.645 1.00 0.00 N ATOM 2017 CA GLU A 125 -7.570 1.493 -4.745 1.00 0.00 C ATOM 2018 C GLU A 125 -7.736 0.953 -6.162 1.00 0.00 C ATOM 2019 O GLU A 125 -7.528 -0.234 -6.414 1.00 0.00 O ATOM 2020 CB GLU A 125 -8.811 2.288 -4.334 1.00 0.00 C ATOM 2021 CG GLU A 125 -9.349 1.908 -2.965 1.00 0.00 C ATOM 2022 CD GLU A 125 -10.042 0.559 -2.966 1.00 0.00 C ATOM 2023 OE1 GLU A 125 -11.178 0.476 -3.480 1.00 0.00 O ATOM 2024 OE2 GLU A 125 -9.452 -0.412 -2.448 1.00 0.00 O ATOM 0 H GLU A 125 -6.168 2.865 -5.488 1.00 0.00 H new ATOM 0 HA GLU A 125 -7.450 0.646 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -8.570 3.351 -4.338 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -9.593 2.136 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -8.528 1.890 -2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -10.050 2.672 -2.629 1.00 0.00 H new ATOM 2031 N LYS A 126 -8.117 1.833 -7.082 1.00 0.00 N ATOM 2032 CA LYS A 126 -8.318 1.453 -8.479 1.00 0.00 C ATOM 2033 C LYS A 126 -7.156 0.609 -8.997 1.00 0.00 C ATOM 2034 O LYS A 126 -6.062 0.626 -8.432 1.00 0.00 O ATOM 2035 CB LYS A 126 -8.481 2.702 -9.347 1.00 0.00 C ATOM 2036 CG LYS A 126 -8.923 2.402 -10.770 1.00 0.00 C ATOM 2037 CD LYS A 126 -9.108 3.678 -11.576 1.00 0.00 C ATOM 2038 CE LYS A 126 -10.181 4.570 -10.971 1.00 0.00 C ATOM 2039 NZ LYS A 126 -9.605 5.586 -10.048 1.00 0.00 N ATOM 0 H LYS A 126 -8.294 2.818 -6.886 1.00 0.00 H new ATOM 0 HA LYS A 126 -9.226 0.853 -8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -9.210 3.365 -8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -7.534 3.240 -9.376 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -8.182 1.767 -11.256 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -9.859 1.843 -10.751 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -8.164 4.221 -11.620 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -9.379 3.426 -12.601 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -10.727 5.073 -11.769 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -10.901 3.956 -10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -10.247 5.726 -9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -8.681 5.256 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -9.484 6.486 -10.555 1.00 0.00 H new ATOM 2053 N GLU A 127 -7.402 -0.128 -10.075 1.00 0.00 N ATOM 2054 CA GLU A 127 -6.379 -0.980 -10.668 1.00 0.00 C ATOM 2055 C GLU A 127 -5.377 -0.152 -11.468 1.00 0.00 C ATOM 2056 O GLU A 127 -4.212 -0.035 -11.092 1.00 0.00 O ATOM 2057 CB GLU A 127 -7.023 -2.035 -11.570 1.00 0.00 C ATOM 2058 CG GLU A 127 -8.089 -2.862 -10.872 1.00 0.00 C ATOM 2059 CD GLU A 127 -9.305 -3.105 -11.746 1.00 0.00 C ATOM 2060 OE1 GLU A 127 -9.255 -4.024 -12.589 1.00 0.00 O ATOM 2061 OE2 GLU A 127 -10.306 -2.375 -11.586 1.00 0.00 O ATOM 0 H GLU A 127 -8.301 -0.152 -10.556 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.846 -1.480 -9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -7.466 -1.540 -12.434 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -6.247 -2.701 -11.947 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -7.663 -3.820 -10.574 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -8.398 -2.353 -9.959 1.00 0.00 H new ATOM 2068 N GLU A 128 -5.841 0.420 -12.574 1.00 0.00 N ATOM 2069 CA GLU A 128 -4.988 1.237 -13.428 1.00 0.00 C ATOM 2070 C GLU A 128 -3.816 0.422 -13.967 1.00 0.00 C ATOM 2071 O GLU A 128 -2.837 0.229 -13.217 1.00 0.00 O ATOM 2072 CB GLU A 128 -4.468 2.449 -12.654 1.00 0.00 C ATOM 2073 CG GLU A 128 -5.447 3.609 -12.613 1.00 0.00 C ATOM 2074 CD GLU A 128 -5.887 4.047 -13.997 1.00 0.00 C ATOM 2075 OE1 GLU A 128 -5.097 4.727 -14.684 1.00 0.00 O ATOM 2076 OE2 GLU A 128 -7.024 3.711 -14.393 1.00 0.00 O ATOM 2077 OXT GLU A 128 -3.888 -0.016 -15.134 1.00 0.00 O ATOM 0 H GLU A 128 -6.804 0.333 -12.900 1.00 0.00 H new ATOM 0 HA GLU A 128 -5.585 1.582 -14.272 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -4.234 2.145 -11.634 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -3.536 2.787 -13.107 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -6.323 3.321 -12.031 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -4.985 4.452 -12.098 1.00 0.00 H new