USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 766 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 103 SER OG : rot 170:sc=-0.00192 USER MOD Set 1.2: A 121 HIS : no HE2:sc= -1.09! C(o=-1.1!,f=-5.8!) USER MOD Set 2.1: A 87 MET CE :methyl -133:sc= -0.0557 (180deg=-0.0854) USER MOD Set 2.2: A 94 CYS SG : rot -83:sc= 1.09 USER MOD Set 3.1: A 71 MET CE :methyl 152:sc= -4.44! (180deg=-5.12!) USER MOD Set 3.2: A 74 THR OG1 : rot 66:sc= 0.576 USER MOD Single : A 25 THR OG1 : rot -140:sc= -0.926! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -135:sc= -2.4! (180deg=-4.03!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 104:sc= 1.21 USER MOD Single : A 53 SER OG : rot -30:sc= 0.0863 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0.159 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 150:sc= -0.579 USER MOD Single : A 67 THR OG1 : rot -44:sc= 0.889 USER MOD Single : A 68 HIS : no HD1:sc= -4.38! K(o=-4.4!,f=-0.76) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 73:sc= 0.775 USER MOD Single : A 83 GLN : amide:sc= -1.88 K(o=-1.9,f=-0.52) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 28:sc= 0.509 USER MOD Single : A 108 SER OG : rot 85:sc= 0.46 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N THR A 25 3.863 -6.281 5.799 1.00 1.09 N ATOM 64 CA THR A 25 3.958 -5.457 4.606 1.00 0.85 C ATOM 65 C THR A 25 4.566 -6.299 3.481 1.00 1.01 C ATOM 66 O THR A 25 4.222 -6.157 2.312 1.00 1.99 O ATOM 67 CB THR A 25 4.824 -4.208 4.865 1.00 0.70 C ATOM 68 OG1 THR A 25 6.192 -4.587 5.067 1.00 0.83 O ATOM 69 CG2 THR A 25 4.345 -3.463 6.098 1.00 0.96 C ATOM 0 HA THR A 25 2.963 -5.115 4.323 1.00 0.85 H new ATOM 0 HB THR A 25 4.739 -3.560 3.993 1.00 0.70 H new ATOM 0 HG1 THR A 25 6.579 -4.044 5.785 1.00 0.83 H new ATOM 0 HG21 THR A 25 4.972 -2.586 6.260 1.00 0.96 H new ATOM 0 HG22 THR A 25 3.311 -3.149 5.954 1.00 0.96 H new ATOM 0 HG23 THR A 25 4.408 -4.119 6.966 1.00 0.96 H new ATOM 77 N ARG A 26 5.493 -7.174 3.881 1.00 0.78 N ATOM 78 CA ARG A 26 6.089 -8.201 3.022 1.00 0.81 C ATOM 79 C ARG A 26 7.136 -7.634 2.079 1.00 0.79 C ATOM 80 O ARG A 26 8.280 -8.085 2.059 1.00 0.95 O ATOM 81 CB ARG A 26 5.037 -8.951 2.205 1.00 1.04 C ATOM 82 CG ARG A 26 5.664 -9.897 1.200 1.00 1.15 C ATOM 83 CD ARG A 26 4.631 -10.574 0.332 1.00 1.19 C ATOM 84 NE ARG A 26 5.264 -11.375 -0.715 1.00 1.65 N ATOM 85 CZ ARG A 26 5.408 -12.700 -0.660 1.00 1.90 C ATOM 86 NH1 ARG A 26 4.825 -13.404 0.307 1.00 2.06 N ATOM 87 NH2 ARG A 26 6.110 -13.327 -1.599 1.00 2.51 N ATOM 0 H ARG A 26 5.858 -7.188 4.833 1.00 0.78 H new ATOM 0 HA ARG A 26 6.575 -8.900 3.703 1.00 0.81 H new ATOM 0 HB2 ARG A 26 4.390 -9.514 2.878 1.00 1.04 H new ATOM 0 HB3 ARG A 26 4.405 -8.233 1.682 1.00 1.04 H new ATOM 0 HG2 ARG A 26 6.360 -9.345 0.569 1.00 1.15 H new ATOM 0 HG3 ARG A 26 6.244 -10.654 1.729 1.00 1.15 H new ATOM 0 HD2 ARG A 26 3.996 -11.211 0.947 1.00 1.19 H new ATOM 0 HD3 ARG A 26 3.984 -9.823 -0.122 1.00 1.19 H new ATOM 0 HE ARG A 26 5.618 -10.890 -1.540 1.00 1.65 H new ATOM 0 HH11 ARG A 26 4.262 -12.931 1.014 1.00 2.06 H new ATOM 0 HH12 ARG A 26 4.941 -14.417 0.341 1.00 2.06 H new ATOM 0 HH21 ARG A 26 6.536 -12.795 -2.358 1.00 2.51 H new ATOM 0 HH22 ARG A 26 6.222 -14.340 -1.561 1.00 2.51 H new ATOM 101 N PHE A 27 6.741 -6.648 1.309 1.00 0.72 N ATOM 102 CA PHE A 27 7.541 -6.204 0.182 1.00 0.77 C ATOM 103 C PHE A 27 7.734 -4.695 0.198 1.00 0.71 C ATOM 104 O PHE A 27 6.818 -3.940 -0.122 1.00 0.72 O ATOM 105 CB PHE A 27 6.869 -6.651 -1.119 1.00 0.88 C ATOM 106 CG PHE A 27 7.638 -6.304 -2.360 1.00 0.78 C ATOM 107 CD1 PHE A 27 8.732 -7.059 -2.747 1.00 0.89 C ATOM 108 CD2 PHE A 27 7.263 -5.224 -3.136 1.00 0.96 C ATOM 109 CE1 PHE A 27 9.440 -6.744 -3.889 1.00 1.25 C ATOM 110 CE2 PHE A 27 7.965 -4.902 -4.283 1.00 1.35 C ATOM 111 CZ PHE A 27 9.065 -5.656 -4.650 1.00 1.51 C ATOM 0 H PHE A 27 5.869 -6.134 1.439 1.00 0.72 H new ATOM 0 HA PHE A 27 8.530 -6.656 0.254 1.00 0.77 H new ATOM 0 HB2 PHE A 27 6.722 -7.731 -1.086 1.00 0.88 H new ATOM 0 HB3 PHE A 27 5.880 -6.196 -1.179 1.00 0.88 H new ATOM 0 HD1 PHE A 27 9.035 -7.905 -2.148 1.00 0.89 H new ATOM 0 HD2 PHE A 27 6.413 -4.625 -2.844 1.00 0.96 H new ATOM 0 HE1 PHE A 27 10.285 -7.347 -4.186 1.00 1.25 H new ATOM 0 HE2 PHE A 27 7.655 -4.064 -4.890 1.00 1.35 H new ATOM 0 HZ PHE A 27 9.630 -5.393 -5.532 1.00 1.51 H new ATOM 121 N PRO A 28 8.935 -4.244 0.584 1.00 0.72 N ATOM 122 CA PRO A 28 9.268 -2.826 0.627 1.00 0.81 C ATOM 123 C PRO A 28 9.719 -2.289 -0.735 1.00 1.01 C ATOM 124 O PRO A 28 9.428 -2.880 -1.778 1.00 2.02 O ATOM 125 CB PRO A 28 10.404 -2.789 1.644 1.00 0.91 C ATOM 126 CG PRO A 28 11.104 -4.096 1.479 1.00 1.03 C ATOM 127 CD PRO A 28 10.066 -5.087 1.015 1.00 0.76 C ATOM 0 HA PRO A 28 8.417 -2.198 0.891 1.00 0.81 H new ATOM 0 HB2 PRO A 28 11.077 -1.953 1.455 1.00 0.91 H new ATOM 0 HB3 PRO A 28 10.023 -2.669 2.658 1.00 0.91 H new ATOM 0 HG2 PRO A 28 11.912 -4.013 0.752 1.00 1.03 H new ATOM 0 HG3 PRO A 28 11.552 -4.417 2.419 1.00 1.03 H new ATOM 0 HD2 PRO A 28 10.440 -5.703 0.197 1.00 0.76 H new ATOM 0 HD3 PRO A 28 9.775 -5.765 1.817 1.00 0.76 H new ATOM 135 N GLY A 29 10.434 -1.172 -0.729 1.00 0.67 N ATOM 136 CA GLY A 29 10.805 -0.529 -1.973 1.00 0.68 C ATOM 137 C GLY A 29 9.756 0.482 -2.374 1.00 0.65 C ATOM 138 O GLY A 29 9.960 1.691 -2.249 1.00 0.86 O ATOM 0 H GLY A 29 10.763 -0.701 0.114 1.00 0.67 H new ATOM 0 HA2 GLY A 29 11.771 -0.036 -1.862 1.00 0.68 H new ATOM 0 HA3 GLY A 29 10.917 -1.277 -2.758 1.00 0.68 H new ATOM 142 N VAL A 30 8.613 -0.012 -2.831 1.00 0.69 N ATOM 143 CA VAL A 30 7.468 0.847 -3.044 1.00 0.68 C ATOM 144 C VAL A 30 6.684 0.949 -1.749 1.00 0.70 C ATOM 145 O VAL A 30 6.021 0.009 -1.313 1.00 0.75 O ATOM 146 CB VAL A 30 6.558 0.371 -4.200 1.00 0.70 C ATOM 147 CG1 VAL A 30 6.164 -1.092 -4.058 1.00 1.01 C ATOM 148 CG2 VAL A 30 5.321 1.249 -4.305 1.00 1.15 C ATOM 0 H VAL A 30 8.460 -0.995 -3.058 1.00 0.69 H new ATOM 0 HA VAL A 30 7.837 1.828 -3.342 1.00 0.68 H new ATOM 0 HB VAL A 30 7.135 0.462 -5.120 1.00 0.70 H new ATOM 0 HG11 VAL A 30 5.525 -1.380 -4.893 1.00 1.01 H new ATOM 0 HG12 VAL A 30 7.061 -1.712 -4.057 1.00 1.01 H new ATOM 0 HG13 VAL A 30 5.623 -1.234 -3.122 1.00 1.01 H new ATOM 0 HG21 VAL A 30 4.694 0.898 -5.124 1.00 1.15 H new ATOM 0 HG22 VAL A 30 4.760 1.200 -3.372 1.00 1.15 H new ATOM 0 HG23 VAL A 30 5.621 2.280 -4.494 1.00 1.15 H new ATOM 158 N ALA A 31 6.785 2.098 -1.125 1.00 0.71 N ATOM 159 CA ALA A 31 6.217 2.291 0.184 1.00 0.73 C ATOM 160 C ALA A 31 4.891 3.019 0.087 1.00 0.65 C ATOM 161 O ALA A 31 4.733 3.943 -0.718 1.00 0.76 O ATOM 162 CB ALA A 31 7.202 3.040 1.045 1.00 0.84 C ATOM 0 H ALA A 31 7.258 2.917 -1.507 1.00 0.71 H new ATOM 0 HA ALA A 31 6.018 1.324 0.645 1.00 0.73 H new ATOM 0 HB1 ALA A 31 6.778 3.189 2.038 1.00 0.84 H new ATOM 0 HB2 ALA A 31 8.124 2.465 1.127 1.00 0.84 H new ATOM 0 HB3 ALA A 31 7.417 4.008 0.593 1.00 0.84 H new ATOM 168 N ILE A 32 3.944 2.591 0.903 1.00 0.57 N ATOM 169 CA ILE A 32 2.574 3.058 0.811 1.00 0.48 C ATOM 170 C ILE A 32 2.064 3.486 2.173 1.00 0.44 C ATOM 171 O ILE A 32 2.196 2.744 3.141 1.00 0.54 O ATOM 172 CB ILE A 32 1.677 1.919 0.304 1.00 0.49 C ATOM 173 CG1 ILE A 32 2.321 1.245 -0.906 1.00 0.59 C ATOM 174 CG2 ILE A 32 0.298 2.439 -0.044 1.00 0.49 C ATOM 175 CD1 ILE A 32 1.783 -0.132 -1.189 1.00 0.67 C ATOM 0 H ILE A 32 4.104 1.911 1.646 1.00 0.57 H new ATOM 0 HA ILE A 32 2.548 3.905 0.126 1.00 0.48 H new ATOM 0 HB ILE A 32 1.568 1.180 1.098 1.00 0.49 H new ATOM 0 HG12 ILE A 32 2.169 1.873 -1.784 1.00 0.59 H new ATOM 0 HG13 ILE A 32 3.397 1.179 -0.744 1.00 0.59 H new ATOM 0 HG21 ILE A 32 -0.322 1.616 -0.401 1.00 0.49 H new ATOM 0 HG22 ILE A 32 -0.159 2.880 0.842 1.00 0.49 H new ATOM 0 HG23 ILE A 32 0.381 3.196 -0.824 1.00 0.49 H new ATOM 0 HD11 ILE A 32 2.287 -0.547 -2.062 1.00 0.67 H new ATOM 0 HD12 ILE A 32 1.959 -0.776 -0.327 1.00 0.67 H new ATOM 0 HD13 ILE A 32 0.712 -0.071 -1.383 1.00 0.67 H new ATOM 187 N TYR A 33 1.481 4.663 2.257 1.00 0.38 N ATOM 188 CA TYR A 33 0.853 5.105 3.483 1.00 0.38 C ATOM 189 C TYR A 33 -0.600 5.428 3.188 1.00 0.34 C ATOM 190 O TYR A 33 -0.901 6.147 2.232 1.00 0.41 O ATOM 191 CB TYR A 33 1.578 6.328 4.054 1.00 0.54 C ATOM 192 CG TYR A 33 1.070 6.764 5.412 1.00 0.58 C ATOM 193 CD1 TYR A 33 1.098 5.900 6.501 1.00 1.01 C ATOM 194 CD2 TYR A 33 0.551 8.039 5.603 1.00 0.56 C ATOM 195 CE1 TYR A 33 0.627 6.296 7.739 1.00 1.18 C ATOM 196 CE2 TYR A 33 0.078 8.442 6.838 1.00 0.64 C ATOM 197 CZ TYR A 33 0.155 7.566 7.915 1.00 0.90 C ATOM 198 OH TYR A 33 -0.359 7.962 9.131 1.00 1.11 O ATOM 0 H TYR A 33 1.429 5.332 1.489 1.00 0.38 H new ATOM 0 HA TYR A 33 0.909 4.315 4.232 1.00 0.38 H new ATOM 0 HB2 TYR A 33 2.642 6.105 4.130 1.00 0.54 H new ATOM 0 HB3 TYR A 33 1.475 7.158 3.355 1.00 0.54 H new ATOM 0 HD1 TYR A 33 1.494 4.903 6.378 1.00 1.01 H new ATOM 0 HD2 TYR A 33 0.517 8.727 4.772 1.00 0.56 H new ATOM 0 HE1 TYR A 33 0.632 5.602 8.566 1.00 1.18 H new ATOM 0 HE2 TYR A 33 -0.347 9.427 6.965 1.00 0.64 H new ATOM 0 HH TYR A 33 -0.647 8.897 9.076 1.00 1.11 H new ATOM 208 N LEU A 34 -1.499 4.891 3.988 1.00 0.33 N ATOM 209 CA LEU A 34 -2.918 5.099 3.766 1.00 0.36 C ATOM 210 C LEU A 34 -3.488 5.965 4.878 1.00 0.31 C ATOM 211 O LEU A 34 -3.075 5.855 6.033 1.00 0.35 O ATOM 212 CB LEU A 34 -3.681 3.770 3.693 1.00 0.45 C ATOM 213 CG LEU A 34 -3.223 2.806 2.594 1.00 0.64 C ATOM 214 CD1 LEU A 34 -2.131 1.874 3.101 1.00 1.18 C ATOM 215 CD2 LEU A 34 -4.405 2.015 2.061 1.00 1.06 C ATOM 0 H LEU A 34 -1.275 4.309 4.795 1.00 0.33 H new ATOM 0 HA LEU A 34 -3.039 5.603 2.807 1.00 0.36 H new ATOM 0 HB2 LEU A 34 -3.590 3.266 4.655 1.00 0.45 H new ATOM 0 HB3 LEU A 34 -4.739 3.986 3.545 1.00 0.45 H new ATOM 0 HG LEU A 34 -2.803 3.394 1.778 1.00 0.64 H new ATOM 0 HD11 LEU A 34 -1.826 1.201 2.300 1.00 1.18 H new ATOM 0 HD12 LEU A 34 -1.273 2.462 3.428 1.00 1.18 H new ATOM 0 HD13 LEU A 34 -2.511 1.290 3.939 1.00 1.18 H new ATOM 0 HD21 LEU A 34 -4.065 1.334 1.281 1.00 1.06 H new ATOM 0 HD22 LEU A 34 -4.855 1.442 2.872 1.00 1.06 H new ATOM 0 HD23 LEU A 34 -5.145 2.700 1.647 1.00 1.06 H new ATOM 227 N VAL A 35 -4.419 6.832 4.523 1.00 0.31 N ATOM 228 CA VAL A 35 -5.034 7.723 5.490 1.00 0.34 C ATOM 229 C VAL A 35 -6.143 6.997 6.238 1.00 0.46 C ATOM 230 O VAL A 35 -7.150 6.590 5.659 1.00 0.72 O ATOM 231 CB VAL A 35 -5.594 8.983 4.804 1.00 0.42 C ATOM 232 CG1 VAL A 35 -6.118 9.975 5.833 1.00 0.90 C ATOM 233 CG2 VAL A 35 -4.523 9.622 3.935 1.00 1.39 C ATOM 0 H VAL A 35 -4.766 6.938 3.570 1.00 0.31 H new ATOM 0 HA VAL A 35 -4.268 8.035 6.200 1.00 0.34 H new ATOM 0 HB VAL A 35 -6.430 8.690 4.169 1.00 0.42 H new ATOM 0 HG11 VAL A 35 -6.508 10.856 5.323 1.00 0.90 H new ATOM 0 HG12 VAL A 35 -6.914 9.510 6.414 1.00 0.90 H new ATOM 0 HG13 VAL A 35 -5.307 10.270 6.499 1.00 0.90 H new ATOM 0 HG21 VAL A 35 -4.928 10.512 3.454 1.00 1.39 H new ATOM 0 HG22 VAL A 35 -3.670 9.900 4.554 1.00 1.39 H new ATOM 0 HG23 VAL A 35 -4.202 8.912 3.173 1.00 1.39 H new ATOM 243 N GLU A 36 -5.917 6.847 7.540 1.00 0.59 N ATOM 244 CA GLU A 36 -6.787 6.071 8.423 1.00 0.77 C ATOM 245 C GLU A 36 -8.237 6.577 8.429 1.00 0.71 C ATOM 246 O GLU A 36 -9.151 5.796 8.194 1.00 0.79 O ATOM 247 CB GLU A 36 -6.227 6.089 9.851 1.00 1.03 C ATOM 248 CG GLU A 36 -4.795 5.592 9.965 1.00 1.76 C ATOM 249 CD GLU A 36 -4.654 4.122 9.631 1.00 1.96 C ATOM 250 OE1 GLU A 36 -5.141 3.281 10.413 1.00 2.34 O ATOM 251 OE2 GLU A 36 -4.059 3.801 8.582 1.00 2.24 O ATOM 0 H GLU A 36 -5.118 7.264 8.018 1.00 0.59 H new ATOM 0 HA GLU A 36 -6.805 5.052 8.036 1.00 0.77 H new ATOM 0 HB2 GLU A 36 -6.278 7.107 10.236 1.00 1.03 H new ATOM 0 HB3 GLU A 36 -6.865 5.475 10.487 1.00 1.03 H new ATOM 0 HG2 GLU A 36 -4.159 6.174 9.297 1.00 1.76 H new ATOM 0 HG3 GLU A 36 -4.435 5.765 10.979 1.00 1.76 H new ATOM 258 N PRO A 37 -8.488 7.877 8.711 1.00 0.70 N ATOM 259 CA PRO A 37 -9.857 8.389 8.831 1.00 0.83 C ATOM 260 C PRO A 37 -10.525 8.694 7.488 1.00 0.90 C ATOM 261 O PRO A 37 -11.665 9.154 7.451 1.00 1.46 O ATOM 262 CB PRO A 37 -9.669 9.673 9.635 1.00 0.91 C ATOM 263 CG PRO A 37 -8.321 10.165 9.240 1.00 0.91 C ATOM 264 CD PRO A 37 -7.488 8.938 8.971 1.00 0.73 C ATOM 0 HA PRO A 37 -10.517 7.654 9.291 1.00 0.83 H new ATOM 0 HB2 PRO A 37 -10.443 10.404 9.402 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -9.724 9.482 10.707 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -8.381 10.797 8.354 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -7.879 10.769 10.032 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -6.828 9.083 8.116 1.00 0.73 H new ATOM 0 HD3 PRO A 37 -6.855 8.690 9.823 1.00 0.73 H new ATOM 272 N ARG A 38 -9.827 8.432 6.390 1.00 0.89 N ATOM 273 CA ARG A 38 -10.361 8.731 5.067 1.00 0.93 C ATOM 274 C ARG A 38 -10.267 7.525 4.147 1.00 0.92 C ATOM 275 O ARG A 38 -9.523 7.529 3.160 1.00 1.42 O ATOM 276 CB ARG A 38 -9.642 9.931 4.443 1.00 0.99 C ATOM 277 CG ARG A 38 -10.128 11.267 4.976 1.00 1.31 C ATOM 278 CD ARG A 38 -11.607 11.458 4.684 1.00 1.06 C ATOM 279 NE ARG A 38 -12.150 12.648 5.330 1.00 1.41 N ATOM 280 CZ ARG A 38 -13.175 12.620 6.179 1.00 1.91 C ATOM 281 NH1 ARG A 38 -13.755 11.464 6.483 1.00 2.37 N ATOM 282 NH2 ARG A 38 -13.625 13.745 6.721 1.00 2.60 N ATOM 0 H ARG A 38 -8.896 8.016 6.388 1.00 0.89 H new ATOM 0 HA ARG A 38 -11.414 8.984 5.190 1.00 0.93 H new ATOM 0 HB2 ARG A 38 -8.572 9.841 4.629 1.00 0.99 H new ATOM 0 HB3 ARG A 38 -9.781 9.907 3.362 1.00 0.99 H new ATOM 0 HG2 ARG A 38 -9.955 11.320 6.051 1.00 1.31 H new ATOM 0 HG3 ARG A 38 -9.555 12.075 4.521 1.00 1.31 H new ATOM 0 HD2 ARG A 38 -11.756 11.532 3.607 1.00 1.06 H new ATOM 0 HD3 ARG A 38 -12.158 10.580 5.022 1.00 1.06 H new ATOM 0 HE ARG A 38 -11.721 13.549 5.120 1.00 1.41 H new ATOM 0 HH11 ARG A 38 -13.415 10.598 6.066 1.00 2.37 H new ATOM 0 HH12 ARG A 38 -14.540 11.443 7.134 1.00 2.37 H new ATOM 0 HH21 ARG A 38 -13.185 14.635 6.487 1.00 2.60 H new ATOM 0 HH22 ARG A 38 -14.411 13.719 7.371 1.00 2.60 H new ATOM 296 N MET A 39 -11.027 6.492 4.482 1.00 0.73 N ATOM 297 CA MET A 39 -11.073 5.284 3.679 1.00 0.74 C ATOM 298 C MET A 39 -12.177 4.361 4.170 1.00 0.74 C ATOM 299 O MET A 39 -12.267 4.076 5.363 1.00 1.05 O ATOM 300 CB MET A 39 -9.723 4.566 3.723 1.00 0.80 C ATOM 301 CG MET A 39 -9.659 3.336 2.840 1.00 1.19 C ATOM 302 SD MET A 39 -7.967 2.802 2.543 1.00 1.27 S ATOM 303 CE MET A 39 -7.310 4.261 1.734 1.00 0.61 C ATOM 0 H MET A 39 -11.622 6.469 5.310 1.00 0.73 H new ATOM 0 HA MET A 39 -11.288 5.562 2.647 1.00 0.74 H new ATOM 0 HB2 MET A 39 -8.941 5.262 3.419 1.00 0.80 H new ATOM 0 HB3 MET A 39 -9.509 4.276 4.752 1.00 0.80 H new ATOM 0 HG2 MET A 39 -10.218 2.525 3.308 1.00 1.19 H new ATOM 0 HG3 MET A 39 -10.144 3.549 1.887 1.00 1.19 H new ATOM 0 HE1 MET A 39 -6.728 3.963 0.862 1.00 0.61 H new ATOM 0 HE2 MET A 39 -8.132 4.904 1.419 1.00 0.61 H new ATOM 0 HE3 MET A 39 -6.669 4.805 2.428 1.00 0.61 H new ATOM 313 N GLY A 40 -13.026 3.924 3.247 1.00 1.32 N ATOM 314 CA GLY A 40 -14.094 3.006 3.583 1.00 1.52 C ATOM 315 C GLY A 40 -13.576 1.707 4.163 1.00 1.39 C ATOM 316 O GLY A 40 -12.695 1.069 3.581 1.00 1.36 O ATOM 0 H GLY A 40 -12.991 4.193 2.264 1.00 1.32 H new ATOM 0 HA2 GLY A 40 -14.764 3.479 4.300 1.00 1.52 H new ATOM 0 HA3 GLY A 40 -14.681 2.793 2.690 1.00 1.52 H new ATOM 320 N ARG A 41 -14.129 1.319 5.305 1.00 1.34 N ATOM 321 CA ARG A 41 -13.702 0.121 6.029 1.00 1.26 C ATOM 322 C ARG A 41 -13.778 -1.131 5.160 1.00 1.15 C ATOM 323 O ARG A 41 -12.885 -1.972 5.213 1.00 1.03 O ATOM 324 CB ARG A 41 -14.573 -0.059 7.273 1.00 1.42 C ATOM 325 CG ARG A 41 -14.268 -1.320 8.063 1.00 1.79 C ATOM 326 CD ARG A 41 -12.901 -1.256 8.728 1.00 1.72 C ATOM 327 NE ARG A 41 -12.701 -2.369 9.653 1.00 2.20 N ATOM 328 CZ ARG A 41 -11.951 -2.302 10.754 1.00 2.49 C ATOM 329 NH1 ARG A 41 -11.245 -1.213 11.020 1.00 2.51 N ATOM 330 NH2 ARG A 41 -11.897 -3.337 11.582 1.00 3.20 N ATOM 0 H ARG A 41 -14.889 1.825 5.759 1.00 1.34 H new ATOM 0 HA ARG A 41 -12.659 0.258 6.316 1.00 1.26 H new ATOM 0 HB2 ARG A 41 -14.442 0.806 7.924 1.00 1.42 H new ATOM 0 HB3 ARG A 41 -15.620 -0.076 6.971 1.00 1.42 H new ATOM 0 HG2 ARG A 41 -15.035 -1.467 8.823 1.00 1.79 H new ATOM 0 HG3 ARG A 41 -14.309 -2.183 7.399 1.00 1.79 H new ATOM 0 HD2 ARG A 41 -12.123 -1.272 7.965 1.00 1.72 H new ATOM 0 HD3 ARG A 41 -12.801 -0.313 9.265 1.00 1.72 H new ATOM 0 HE ARG A 41 -13.164 -3.253 9.444 1.00 2.20 H new ATOM 0 HH11 ARG A 41 -11.273 -0.419 10.381 1.00 2.51 H new ATOM 0 HH12 ARG A 41 -10.674 -1.169 11.864 1.00 2.51 H new ATOM 0 HH21 ARG A 41 -12.429 -4.183 11.376 1.00 3.20 H new ATOM 0 HH22 ARG A 41 -11.324 -3.287 12.424 1.00 3.20 H new ATOM 344 N SER A 42 -14.840 -1.248 4.372 1.00 1.23 N ATOM 345 CA SER A 42 -15.021 -2.405 3.499 1.00 1.19 C ATOM 346 C SER A 42 -13.802 -2.596 2.601 1.00 1.02 C ATOM 347 O SER A 42 -13.223 -3.684 2.531 1.00 0.94 O ATOM 348 CB SER A 42 -16.277 -2.231 2.641 1.00 1.38 C ATOM 349 OG SER A 42 -17.415 -1.962 3.445 1.00 2.00 O ATOM 0 H SER A 42 -15.589 -0.558 4.318 1.00 1.23 H new ATOM 0 HA SER A 42 -15.137 -3.290 4.124 1.00 1.19 H new ATOM 0 HB2 SER A 42 -16.127 -1.415 1.934 1.00 1.38 H new ATOM 0 HB3 SER A 42 -16.448 -3.134 2.055 1.00 1.38 H new ATOM 0 HG SER A 42 -18.202 -1.854 2.872 1.00 2.00 H new ATOM 355 N ARG A 43 -13.392 -1.516 1.950 1.00 1.01 N ATOM 356 CA ARG A 43 -12.260 -1.560 1.038 1.00 0.91 C ATOM 357 C ARG A 43 -10.963 -1.660 1.825 1.00 0.74 C ATOM 358 O ARG A 43 -10.050 -2.391 1.447 1.00 0.60 O ATOM 359 CB ARG A 43 -12.231 -0.310 0.158 1.00 1.08 C ATOM 360 CG ARG A 43 -11.295 -0.404 -1.040 1.00 1.13 C ATOM 361 CD ARG A 43 -11.041 0.968 -1.631 1.00 1.08 C ATOM 362 NE ARG A 43 -10.416 0.918 -2.959 1.00 0.95 N ATOM 363 CZ ARG A 43 -10.769 1.709 -3.979 1.00 1.74 C ATOM 364 NH1 ARG A 43 -11.732 2.608 -3.827 1.00 2.48 N ATOM 365 NH2 ARG A 43 -10.146 1.621 -5.149 1.00 2.23 N ATOM 0 H ARG A 43 -13.828 -0.598 2.037 1.00 1.01 H new ATOM 0 HA ARG A 43 -12.365 -2.437 0.400 1.00 0.91 H new ATOM 0 HB2 ARG A 43 -13.241 -0.110 -0.200 1.00 1.08 H new ATOM 0 HB3 ARG A 43 -11.935 0.543 0.769 1.00 1.08 H new ATOM 0 HG2 ARG A 43 -10.350 -0.855 -0.735 1.00 1.13 H new ATOM 0 HG3 ARG A 43 -11.730 -1.057 -1.797 1.00 1.13 H new ATOM 0 HD2 ARG A 43 -11.986 1.507 -1.701 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -10.400 1.535 -0.956 1.00 1.08 H new ATOM 0 HE ARG A 43 -9.669 0.241 -3.113 1.00 0.95 H new ATOM 0 HH11 ARG A 43 -12.208 2.699 -2.929 1.00 2.48 H new ATOM 0 HH12 ARG A 43 -11.997 3.208 -4.608 1.00 2.48 H new ATOM 0 HH21 ARG A 43 -9.392 0.946 -5.276 1.00 2.23 H new ATOM 0 HH22 ARG A 43 -10.422 2.228 -5.921 1.00 2.23 H new ATOM 379 N ARG A 44 -10.895 -0.937 2.938 1.00 0.81 N ATOM 380 CA ARG A 44 -9.689 -0.901 3.757 1.00 0.77 C ATOM 381 C ARG A 44 -9.386 -2.262 4.364 1.00 0.68 C ATOM 382 O ARG A 44 -8.253 -2.528 4.746 1.00 0.62 O ATOM 383 CB ARG A 44 -9.804 0.137 4.878 1.00 0.95 C ATOM 384 CG ARG A 44 -8.599 0.169 5.808 1.00 0.98 C ATOM 385 CD ARG A 44 -7.371 0.784 5.154 1.00 1.46 C ATOM 386 NE ARG A 44 -6.192 0.650 6.010 1.00 1.62 N ATOM 387 CZ ARG A 44 -5.581 1.674 6.607 1.00 2.09 C ATOM 388 NH1 ARG A 44 -6.003 2.917 6.406 1.00 2.72 N ATOM 389 NH2 ARG A 44 -4.544 1.459 7.405 1.00 2.57 N ATOM 0 H ARG A 44 -11.662 -0.367 3.294 1.00 0.81 H new ATOM 0 HA ARG A 44 -8.871 -0.619 3.094 1.00 0.77 H new ATOM 0 HB2 ARG A 44 -9.936 1.124 4.435 1.00 0.95 H new ATOM 0 HB3 ARG A 44 -10.699 -0.072 5.464 1.00 0.95 H new ATOM 0 HG2 ARG A 44 -8.851 0.736 6.704 1.00 0.98 H new ATOM 0 HG3 ARG A 44 -8.365 -0.846 6.129 1.00 0.98 H new ATOM 0 HD2 ARG A 44 -7.185 0.299 4.196 1.00 1.46 H new ATOM 0 HD3 ARG A 44 -7.555 1.838 4.947 1.00 1.46 H new ATOM 0 HE ARG A 44 -5.814 -0.285 6.159 1.00 1.62 H new ATOM 0 HH11 ARG A 44 -6.799 3.093 5.792 1.00 2.72 H new ATOM 0 HH12 ARG A 44 -5.532 3.696 6.865 1.00 2.72 H new ATOM 0 HH21 ARG A 44 -4.211 0.508 7.564 1.00 2.57 H new ATOM 0 HH22 ARG A 44 -4.079 2.245 7.860 1.00 2.57 H new ATOM 403 N ALA A 45 -10.359 -3.154 4.417 1.00 0.82 N ATOM 404 CA ALA A 45 -10.129 -4.416 5.082 1.00 0.77 C ATOM 405 C ALA A 45 -9.564 -5.375 4.053 1.00 0.61 C ATOM 406 O ALA A 45 -8.531 -6.023 4.254 1.00 0.58 O ATOM 407 CB ALA A 45 -11.417 -4.957 5.693 1.00 0.91 C ATOM 0 H ALA A 45 -11.290 -3.031 4.019 1.00 0.82 H new ATOM 0 HA ALA A 45 -9.426 -4.289 5.905 1.00 0.77 H new ATOM 0 HB1 ALA A 45 -11.214 -5.907 6.187 1.00 0.91 H new ATOM 0 HB2 ALA A 45 -11.801 -4.244 6.422 1.00 0.91 H new ATOM 0 HB3 ALA A 45 -12.157 -5.107 4.907 1.00 0.91 H new ATOM 413 N PHE A 46 -10.279 -5.435 2.937 1.00 0.63 N ATOM 414 CA PHE A 46 -9.882 -6.206 1.779 1.00 0.57 C ATOM 415 C PHE A 46 -8.497 -5.791 1.262 1.00 0.44 C ATOM 416 O PHE A 46 -7.665 -6.649 0.998 1.00 0.44 O ATOM 417 CB PHE A 46 -10.988 -6.091 0.706 1.00 0.69 C ATOM 418 CG PHE A 46 -10.553 -5.596 -0.646 1.00 0.64 C ATOM 419 CD1 PHE A 46 -10.462 -4.237 -0.907 1.00 0.57 C ATOM 420 CD2 PHE A 46 -10.260 -6.486 -1.663 1.00 0.74 C ATOM 421 CE1 PHE A 46 -10.082 -3.779 -2.149 1.00 0.61 C ATOM 422 CE2 PHE A 46 -9.883 -6.033 -2.911 1.00 0.78 C ATOM 423 CZ PHE A 46 -9.793 -4.677 -3.155 1.00 0.71 C ATOM 0 H PHE A 46 -11.163 -4.940 2.815 1.00 0.63 H new ATOM 0 HA PHE A 46 -9.777 -7.255 2.055 1.00 0.57 H new ATOM 0 HB2 PHE A 46 -11.447 -7.072 0.580 1.00 0.69 H new ATOM 0 HB3 PHE A 46 -11.762 -5.423 1.083 1.00 0.69 H new ATOM 0 HD1 PHE A 46 -10.692 -3.528 -0.126 1.00 0.57 H new ATOM 0 HD2 PHE A 46 -10.327 -7.548 -1.479 1.00 0.74 H new ATOM 0 HE1 PHE A 46 -10.010 -2.718 -2.335 1.00 0.61 H new ATOM 0 HE2 PHE A 46 -9.658 -6.739 -3.697 1.00 0.78 H new ATOM 0 HZ PHE A 46 -9.497 -4.321 -4.131 1.00 0.71 H new ATOM 433 N LEU A 47 -8.227 -4.487 1.158 1.00 0.39 N ATOM 434 CA LEU A 47 -6.941 -4.030 0.629 1.00 0.35 C ATOM 435 C LEU A 47 -5.814 -4.321 1.610 1.00 0.38 C ATOM 436 O LEU A 47 -4.749 -4.770 1.210 1.00 0.47 O ATOM 437 CB LEU A 47 -6.987 -2.536 0.278 1.00 0.36 C ATOM 438 CG LEU A 47 -6.858 -1.562 1.443 1.00 0.38 C ATOM 439 CD1 LEU A 47 -5.397 -1.213 1.707 1.00 0.44 C ATOM 440 CD2 LEU A 47 -7.654 -0.306 1.158 1.00 0.42 C ATOM 0 H LEU A 47 -8.869 -3.742 1.428 1.00 0.39 H new ATOM 0 HA LEU A 47 -6.743 -4.584 -0.288 1.00 0.35 H new ATOM 0 HB2 LEU A 47 -6.187 -2.327 -0.432 1.00 0.36 H new ATOM 0 HB3 LEU A 47 -7.928 -2.334 -0.234 1.00 0.36 H new ATOM 0 HG LEU A 47 -7.256 -2.043 2.337 1.00 0.38 H new ATOM 0 HD11 LEU A 47 -5.335 -0.517 2.543 1.00 0.44 H new ATOM 0 HD12 LEU A 47 -4.844 -2.121 1.949 1.00 0.44 H new ATOM 0 HD13 LEU A 47 -4.967 -0.752 0.818 1.00 0.44 H new ATOM 0 HD21 LEU A 47 -7.556 0.385 1.996 1.00 0.42 H new ATOM 0 HD22 LEU A 47 -7.275 0.167 0.252 1.00 0.42 H new ATOM 0 HD23 LEU A 47 -8.704 -0.564 1.021 1.00 0.42 H new ATOM 452 N THR A 48 -6.054 -4.084 2.893 1.00 0.40 N ATOM 453 CA THR A 48 -5.016 -4.252 3.896 1.00 0.48 C ATOM 454 C THR A 48 -4.607 -5.717 3.999 1.00 0.48 C ATOM 455 O THR A 48 -3.421 -6.045 3.924 1.00 0.57 O ATOM 456 CB THR A 48 -5.479 -3.719 5.265 1.00 0.59 C ATOM 457 OG1 THR A 48 -5.765 -2.321 5.164 1.00 0.64 O ATOM 458 CG2 THR A 48 -4.434 -3.930 6.342 1.00 0.69 C ATOM 0 H THR A 48 -6.954 -3.776 3.260 1.00 0.40 H new ATOM 0 HA THR A 48 -4.147 -3.671 3.586 1.00 0.48 H new ATOM 0 HB THR A 48 -6.373 -4.276 5.546 1.00 0.59 H new ATOM 0 HG1 THR A 48 -6.735 -2.187 5.138 1.00 0.64 H new ATOM 0 HG21 THR A 48 -4.804 -3.539 7.290 1.00 0.69 H new ATOM 0 HG22 THR A 48 -4.228 -4.995 6.445 1.00 0.69 H new ATOM 0 HG23 THR A 48 -3.518 -3.408 6.067 1.00 0.69 H new ATOM 466 N GLY A 49 -5.597 -6.594 4.144 1.00 0.45 N ATOM 467 CA GLY A 49 -5.325 -8.017 4.164 1.00 0.50 C ATOM 468 C GLY A 49 -4.708 -8.503 2.869 1.00 0.42 C ATOM 469 O GLY A 49 -3.714 -9.230 2.881 1.00 0.42 O ATOM 0 H GLY A 49 -6.580 -6.343 4.248 1.00 0.45 H new ATOM 0 HA2 GLY A 49 -4.653 -8.245 4.992 1.00 0.50 H new ATOM 0 HA3 GLY A 49 -6.252 -8.559 4.348 1.00 0.50 H new ATOM 473 N LEU A 50 -5.314 -8.123 1.753 1.00 0.43 N ATOM 474 CA LEU A 50 -4.801 -8.537 0.450 1.00 0.42 C ATOM 475 C LEU A 50 -3.388 -8.033 0.204 1.00 0.41 C ATOM 476 O LEU A 50 -2.489 -8.831 -0.028 1.00 0.46 O ATOM 477 CB LEU A 50 -5.712 -8.101 -0.698 1.00 0.44 C ATOM 478 CG LEU A 50 -6.991 -8.918 -0.860 1.00 0.46 C ATOM 479 CD1 LEU A 50 -7.663 -8.578 -2.177 1.00 0.58 C ATOM 480 CD2 LEU A 50 -6.685 -10.406 -0.781 1.00 0.48 C ATOM 0 H LEU A 50 -6.149 -7.538 1.720 1.00 0.43 H new ATOM 0 HA LEU A 50 -4.780 -9.627 0.475 1.00 0.42 H new ATOM 0 HB2 LEU A 50 -5.984 -7.056 -0.548 1.00 0.44 H new ATOM 0 HB3 LEU A 50 -5.147 -8.153 -1.629 1.00 0.44 H new ATOM 0 HG LEU A 50 -7.673 -8.668 -0.048 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -8.575 -9.166 -2.283 1.00 0.58 H new ATOM 0 HD12 LEU A 50 -7.912 -7.517 -2.195 1.00 0.58 H new ATOM 0 HD13 LEU A 50 -6.986 -8.806 -3.000 1.00 0.58 H new ATOM 0 HD21 LEU A 50 -7.608 -10.974 -0.898 1.00 0.48 H new ATOM 0 HD22 LEU A 50 -5.989 -10.677 -1.575 1.00 0.48 H new ATOM 0 HD23 LEU A 50 -6.239 -10.635 0.187 1.00 0.48 H new ATOM 492 N ALA A 51 -3.190 -6.723 0.273 1.00 0.38 N ATOM 493 CA ALA A 51 -1.919 -6.115 -0.118 1.00 0.39 C ATOM 494 C ALA A 51 -0.723 -6.706 0.629 1.00 0.43 C ATOM 495 O ALA A 51 0.329 -6.945 0.032 1.00 0.47 O ATOM 496 CB ALA A 51 -1.978 -4.613 0.073 1.00 0.38 C ATOM 0 H ALA A 51 -3.893 -6.058 0.596 1.00 0.38 H new ATOM 0 HA ALA A 51 -1.768 -6.341 -1.174 1.00 0.39 H new ATOM 0 HB1 ALA A 51 -1.026 -4.171 -0.221 1.00 0.38 H new ATOM 0 HB2 ALA A 51 -2.776 -4.199 -0.543 1.00 0.38 H new ATOM 0 HB3 ALA A 51 -2.174 -4.387 1.121 1.00 0.38 H new ATOM 502 N ARG A 52 -0.889 -6.963 1.925 1.00 0.45 N ATOM 503 CA ARG A 52 0.184 -7.556 2.725 1.00 0.51 C ATOM 504 C ARG A 52 0.483 -8.981 2.262 1.00 0.60 C ATOM 505 O ARG A 52 1.615 -9.455 2.362 1.00 0.75 O ATOM 506 CB ARG A 52 -0.167 -7.552 4.222 1.00 0.54 C ATOM 507 CG ARG A 52 -1.448 -8.297 4.563 1.00 1.12 C ATOM 508 CD ARG A 52 -1.723 -8.319 6.060 1.00 1.04 C ATOM 509 NE ARG A 52 -0.803 -9.206 6.779 1.00 1.51 N ATOM 510 CZ ARG A 52 -1.178 -10.035 7.758 1.00 1.87 C ATOM 511 NH1 ARG A 52 -2.455 -10.114 8.107 1.00 1.75 N ATOM 512 NH2 ARG A 52 -0.275 -10.791 8.376 1.00 2.79 N ATOM 0 H ARG A 52 -1.748 -6.772 2.441 1.00 0.45 H new ATOM 0 HA ARG A 52 1.075 -6.945 2.581 1.00 0.51 H new ATOM 0 HB2 ARG A 52 0.658 -7.997 4.778 1.00 0.54 H new ATOM 0 HB3 ARG A 52 -0.259 -6.520 4.559 1.00 0.54 H new ATOM 0 HG2 ARG A 52 -2.287 -7.827 4.049 1.00 1.12 H new ATOM 0 HG3 ARG A 52 -1.380 -9.320 4.193 1.00 1.12 H new ATOM 0 HD2 ARG A 52 -1.636 -7.308 6.459 1.00 1.04 H new ATOM 0 HD3 ARG A 52 -2.749 -8.644 6.235 1.00 1.04 H new ATOM 0 HE ARG A 52 0.182 -9.189 6.516 1.00 1.51 H new ATOM 0 HH11 ARG A 52 -3.151 -9.542 7.628 1.00 1.75 H new ATOM 0 HH12 ARG A 52 -2.741 -10.747 8.854 1.00 1.75 H new ATOM 0 HH21 ARG A 52 0.706 -10.739 8.103 1.00 2.79 H new ATOM 0 HH22 ARG A 52 -0.564 -11.423 9.123 1.00 2.79 H new ATOM 526 N SER A 53 -0.542 -9.662 1.770 1.00 0.54 N ATOM 527 CA SER A 53 -0.397 -11.019 1.264 1.00 0.61 C ATOM 528 C SER A 53 0.059 -11.017 -0.199 1.00 0.61 C ATOM 529 O SER A 53 0.422 -12.057 -0.749 1.00 0.69 O ATOM 530 CB SER A 53 -1.734 -11.759 1.409 1.00 0.63 C ATOM 531 OG SER A 53 -1.617 -13.136 1.090 1.00 1.36 O ATOM 0 H SER A 53 -1.491 -9.293 1.710 1.00 0.54 H new ATOM 0 HA SER A 53 0.368 -11.532 1.847 1.00 0.61 H new ATOM 0 HB2 SER A 53 -2.098 -11.653 2.431 1.00 0.63 H new ATOM 0 HB3 SER A 53 -2.476 -11.298 0.757 1.00 0.63 H new ATOM 0 HG SER A 53 -0.910 -13.258 0.422 1.00 1.36 H new ATOM 537 N LYS A 54 0.040 -9.848 -0.831 1.00 0.57 N ATOM 538 CA LYS A 54 0.418 -9.744 -2.236 1.00 0.60 C ATOM 539 C LYS A 54 1.874 -9.318 -2.381 1.00 0.63 C ATOM 540 O LYS A 54 2.702 -10.061 -2.914 1.00 0.76 O ATOM 541 CB LYS A 54 -0.478 -8.751 -2.987 1.00 0.56 C ATOM 542 CG LYS A 54 -1.970 -9.048 -2.900 1.00 0.54 C ATOM 543 CD LYS A 54 -2.318 -10.418 -3.452 1.00 0.60 C ATOM 544 CE LYS A 54 -3.816 -10.680 -3.375 1.00 0.64 C ATOM 545 NZ LYS A 54 -4.208 -11.989 -3.969 1.00 0.83 N ATOM 0 H LYS A 54 -0.231 -8.966 -0.397 1.00 0.57 H new ATOM 0 HA LYS A 54 0.288 -10.734 -2.674 1.00 0.60 H new ATOM 0 HB2 LYS A 54 -0.297 -7.750 -2.594 1.00 0.56 H new ATOM 0 HB3 LYS A 54 -0.184 -8.739 -4.037 1.00 0.56 H new ATOM 0 HG2 LYS A 54 -2.290 -8.986 -1.860 1.00 0.54 H new ATOM 0 HG3 LYS A 54 -2.522 -8.286 -3.450 1.00 0.54 H new ATOM 0 HD2 LYS A 54 -1.987 -10.490 -4.488 1.00 0.60 H new ATOM 0 HD3 LYS A 54 -1.783 -11.185 -2.892 1.00 0.60 H new ATOM 0 HE2 LYS A 54 -4.131 -10.651 -2.332 1.00 0.64 H new ATOM 0 HE3 LYS A 54 -4.347 -9.880 -3.891 1.00 0.64 H new ATOM 0 HZ1 LYS A 54 -5.237 -12.113 -3.888 1.00 0.83 H new ATOM 0 HZ2 LYS A 54 -3.934 -12.011 -4.972 1.00 0.83 H new ATOM 0 HZ3 LYS A 54 -3.726 -12.759 -3.462 1.00 0.83 H new ATOM 559 N GLY A 55 2.188 -8.126 -1.888 1.00 0.56 N ATOM 560 CA GLY A 55 3.521 -7.587 -2.073 1.00 0.61 C ATOM 561 C GLY A 55 3.565 -6.075 -1.993 1.00 0.54 C ATOM 562 O GLY A 55 4.083 -5.428 -2.901 1.00 0.57 O ATOM 0 H GLY A 55 1.548 -7.527 -1.367 1.00 0.56 H new ATOM 0 HA2 GLY A 55 4.184 -8.005 -1.315 1.00 0.61 H new ATOM 0 HA3 GLY A 55 3.904 -7.905 -3.043 1.00 0.61 H new ATOM 566 N PHE A 56 3.026 -5.507 -0.927 1.00 0.50 N ATOM 567 CA PHE A 56 2.970 -4.057 -0.797 1.00 0.47 C ATOM 568 C PHE A 56 3.276 -3.633 0.629 1.00 0.42 C ATOM 569 O PHE A 56 2.619 -4.076 1.570 1.00 0.65 O ATOM 570 CB PHE A 56 1.594 -3.541 -1.219 1.00 0.66 C ATOM 571 CG PHE A 56 1.293 -3.778 -2.669 1.00 0.56 C ATOM 572 CD1 PHE A 56 1.854 -2.975 -3.647 1.00 0.61 C ATOM 573 CD2 PHE A 56 0.435 -4.798 -3.053 1.00 0.53 C ATOM 574 CE1 PHE A 56 1.568 -3.182 -4.980 1.00 0.58 C ATOM 575 CE2 PHE A 56 0.148 -5.010 -4.387 1.00 0.48 C ATOM 576 CZ PHE A 56 0.758 -4.237 -5.354 1.00 0.47 C ATOM 0 H PHE A 56 2.623 -6.021 -0.144 1.00 0.50 H new ATOM 0 HA PHE A 56 3.725 -3.624 -1.453 1.00 0.47 H new ATOM 0 HB2 PHE A 56 0.829 -4.026 -0.612 1.00 0.66 H new ATOM 0 HB3 PHE A 56 1.535 -2.472 -1.012 1.00 0.66 H new ATOM 0 HD1 PHE A 56 2.524 -2.177 -3.363 1.00 0.61 H new ATOM 0 HD2 PHE A 56 -0.013 -5.432 -2.302 1.00 0.53 H new ATOM 0 HE1 PHE A 56 1.976 -2.521 -5.730 1.00 0.58 H new ATOM 0 HE2 PHE A 56 -0.553 -5.780 -4.673 1.00 0.48 H new ATOM 0 HZ PHE A 56 0.603 -4.456 -6.400 1.00 0.47 H new ATOM 586 N ARG A 57 4.256 -2.752 0.788 1.00 0.46 N ATOM 587 CA ARG A 57 4.704 -2.360 2.113 1.00 0.68 C ATOM 588 C ARG A 57 3.930 -1.163 2.603 1.00 0.79 C ATOM 589 O ARG A 57 4.130 -0.034 2.141 1.00 1.17 O ATOM 590 CB ARG A 57 6.191 -2.024 2.125 1.00 0.93 C ATOM 591 CG ARG A 57 6.800 -1.925 3.519 1.00 0.72 C ATOM 592 CD ARG A 57 6.644 -0.531 4.111 1.00 1.01 C ATOM 593 NE ARG A 57 6.700 -0.539 5.575 1.00 1.72 N ATOM 594 CZ ARG A 57 7.688 -0.004 6.291 1.00 2.00 C ATOM 595 NH1 ARG A 57 8.762 0.486 5.684 1.00 1.80 N ATOM 596 NH2 ARG A 57 7.608 0.028 7.618 1.00 3.00 N ATOM 0 H ARG A 57 4.751 -2.299 0.020 1.00 0.46 H new ATOM 0 HA ARG A 57 4.529 -3.209 2.774 1.00 0.68 H new ATOM 0 HB2 ARG A 57 6.728 -2.785 1.560 1.00 0.93 H new ATOM 0 HB3 ARG A 57 6.342 -1.077 1.607 1.00 0.93 H new ATOM 0 HG2 ARG A 57 6.324 -2.653 4.175 1.00 0.72 H new ATOM 0 HG3 ARG A 57 7.858 -2.183 3.472 1.00 0.72 H new ATOM 0 HD2 ARG A 57 7.431 0.116 3.723 1.00 1.01 H new ATOM 0 HD3 ARG A 57 5.694 -0.106 3.788 1.00 1.01 H new ATOM 0 HE ARG A 57 5.932 -0.983 6.079 1.00 1.72 H new ATOM 0 HH11 ARG A 57 8.832 0.454 4.667 1.00 1.80 H new ATOM 0 HH12 ARG A 57 9.517 0.895 6.235 1.00 1.80 H new ATOM 0 HH21 ARG A 57 6.789 -0.357 8.089 1.00 3.00 H new ATOM 0 HH22 ARG A 57 8.365 0.438 8.165 1.00 3.00 H new ATOM 610 N VAL A 58 3.049 -1.411 3.532 1.00 0.67 N ATOM 611 CA VAL A 58 2.379 -0.353 4.228 1.00 0.69 C ATOM 612 C VAL A 58 3.315 0.311 5.244 1.00 0.68 C ATOM 613 O VAL A 58 3.792 -0.329 6.183 1.00 0.73 O ATOM 614 CB VAL A 58 1.149 -0.918 4.946 1.00 0.76 C ATOM 615 CG1 VAL A 58 0.472 0.137 5.809 1.00 0.81 C ATOM 616 CG2 VAL A 58 0.160 -1.511 3.946 1.00 0.88 C ATOM 0 H VAL A 58 2.777 -2.349 3.826 1.00 0.67 H new ATOM 0 HA VAL A 58 2.070 0.402 3.505 1.00 0.69 H new ATOM 0 HB VAL A 58 1.492 -1.715 5.605 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -0.396 -0.299 6.303 1.00 0.81 H new ATOM 0 HG12 VAL A 58 1.174 0.497 6.561 1.00 0.81 H new ATOM 0 HG13 VAL A 58 0.152 0.970 5.182 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -0.705 -1.906 4.480 1.00 0.88 H new ATOM 0 HG22 VAL A 58 -0.165 -0.736 3.252 1.00 0.88 H new ATOM 0 HG23 VAL A 58 0.642 -2.316 3.391 1.00 0.88 H new ATOM 626 N LEU A 59 3.592 1.585 5.023 1.00 0.70 N ATOM 627 CA LEU A 59 4.468 2.358 5.893 1.00 0.77 C ATOM 628 C LEU A 59 3.768 2.641 7.217 1.00 0.91 C ATOM 629 O LEU A 59 2.844 3.446 7.285 1.00 1.02 O ATOM 630 CB LEU A 59 4.856 3.673 5.211 1.00 0.74 C ATOM 631 CG LEU A 59 6.283 4.182 5.471 1.00 0.87 C ATOM 632 CD1 LEU A 59 6.574 4.311 6.957 1.00 1.13 C ATOM 633 CD2 LEU A 59 7.302 3.275 4.808 1.00 0.99 C ATOM 0 H LEU A 59 3.217 2.114 4.236 1.00 0.70 H new ATOM 0 HA LEU A 59 5.373 1.782 6.088 1.00 0.77 H new ATOM 0 HB2 LEU A 59 4.727 3.551 4.136 1.00 0.74 H new ATOM 0 HB3 LEU A 59 4.155 4.444 5.531 1.00 0.74 H new ATOM 0 HG LEU A 59 6.360 5.177 5.033 1.00 0.87 H new ATOM 0 HD11 LEU A 59 7.592 4.673 7.098 1.00 1.13 H new ATOM 0 HD12 LEU A 59 5.873 5.015 7.405 1.00 1.13 H new ATOM 0 HD13 LEU A 59 6.466 3.337 7.435 1.00 1.13 H new ATOM 0 HD21 LEU A 59 8.306 3.652 5.003 1.00 0.99 H new ATOM 0 HD22 LEU A 59 7.208 2.267 5.211 1.00 0.99 H new ATOM 0 HD23 LEU A 59 7.125 3.254 3.733 1.00 0.99 H new ATOM 645 N ASP A 60 4.220 1.975 8.263 1.00 1.06 N ATOM 646 CA ASP A 60 3.634 2.115 9.591 1.00 1.31 C ATOM 647 C ASP A 60 4.245 3.287 10.358 1.00 1.32 C ATOM 648 O ASP A 60 4.452 3.209 11.571 1.00 2.09 O ATOM 649 CB ASP A 60 3.838 0.820 10.375 1.00 1.89 C ATOM 650 CG ASP A 60 5.261 0.308 10.272 1.00 2.15 C ATOM 651 OD1 ASP A 60 5.566 -0.451 9.329 1.00 2.89 O ATOM 652 OD2 ASP A 60 6.083 0.648 11.149 1.00 2.30 O ATOM 0 H ASP A 60 5.002 1.322 8.221 1.00 1.06 H new ATOM 0 HA ASP A 60 2.569 2.316 9.472 1.00 1.31 H new ATOM 0 HB2 ASP A 60 3.589 0.988 11.423 1.00 1.89 H new ATOM 0 HB3 ASP A 60 3.152 0.059 10.002 1.00 1.89 H new ATOM 657 N ALA A 61 4.500 4.384 9.656 1.00 1.32 N ATOM 658 CA ALA A 61 5.121 5.551 10.266 1.00 1.55 C ATOM 659 C ALA A 61 4.912 6.797 9.415 1.00 1.25 C ATOM 660 O ALA A 61 4.694 6.710 8.205 1.00 1.76 O ATOM 661 CB ALA A 61 6.610 5.308 10.469 1.00 2.66 C ATOM 0 H ALA A 61 4.286 4.489 8.664 1.00 1.32 H new ATOM 0 HA ALA A 61 4.646 5.715 11.233 1.00 1.55 H new ATOM 0 HB1 ALA A 61 7.063 6.188 10.926 1.00 2.66 H new ATOM 0 HB2 ALA A 61 6.752 4.446 11.121 1.00 2.66 H new ATOM 0 HB3 ALA A 61 7.082 5.116 9.505 1.00 2.66 H new ATOM 667 N CYS A 62 4.993 7.955 10.054 1.00 1.19 N ATOM 668 CA CYS A 62 4.872 9.233 9.368 1.00 1.18 C ATOM 669 C CYS A 62 6.215 9.638 8.759 1.00 1.18 C ATOM 670 O CYS A 62 6.747 10.713 9.042 1.00 1.66 O ATOM 671 CB CYS A 62 4.384 10.295 10.355 1.00 1.44 C ATOM 672 SG CYS A 62 5.220 10.230 11.958 1.00 2.09 S ATOM 0 H CYS A 62 5.144 8.035 11.060 1.00 1.19 H new ATOM 0 HA CYS A 62 4.148 9.142 8.558 1.00 1.18 H new ATOM 0 HB2 CYS A 62 4.532 11.282 9.917 1.00 1.44 H new ATOM 0 HB3 CYS A 62 3.312 10.172 10.508 1.00 1.44 H new ATOM 0 HG CYS A 62 4.749 11.163 12.731 1.00 2.09 H new ATOM 678 N SER A 63 6.755 8.765 7.921 1.00 1.03 N ATOM 679 CA SER A 63 8.066 8.976 7.335 1.00 1.07 C ATOM 680 C SER A 63 7.947 9.249 5.840 1.00 1.01 C ATOM 681 O SER A 63 6.986 8.829 5.188 1.00 1.03 O ATOM 682 CB SER A 63 8.942 7.745 7.579 1.00 1.23 C ATOM 683 OG SER A 63 10.273 7.965 7.147 1.00 1.76 O ATOM 0 H SER A 63 6.300 7.899 7.632 1.00 1.03 H new ATOM 0 HA SER A 63 8.527 9.844 7.806 1.00 1.07 H new ATOM 0 HB2 SER A 63 8.938 7.498 8.641 1.00 1.23 H new ATOM 0 HB3 SER A 63 8.523 6.888 7.051 1.00 1.23 H new ATOM 0 HG SER A 63 10.809 7.162 7.317 1.00 1.76 H new ATOM 689 N SER A 64 8.939 9.953 5.307 1.00 1.04 N ATOM 690 CA SER A 64 8.963 10.343 3.905 1.00 1.05 C ATOM 691 C SER A 64 9.259 9.143 3.008 1.00 0.99 C ATOM 692 O SER A 64 9.183 9.237 1.784 1.00 1.01 O ATOM 693 CB SER A 64 10.033 11.415 3.701 1.00 1.23 C ATOM 694 OG SER A 64 10.090 12.295 4.815 1.00 1.95 O ATOM 0 H SER A 64 9.751 10.269 5.838 1.00 1.04 H new ATOM 0 HA SER A 64 7.983 10.736 3.634 1.00 1.05 H new ATOM 0 HB2 SER A 64 11.004 10.942 3.557 1.00 1.23 H new ATOM 0 HB3 SER A 64 9.817 11.982 2.796 1.00 1.23 H new ATOM 0 HG SER A 64 11.004 12.633 4.918 1.00 1.95 H new ATOM 700 N GLU A 65 9.599 8.018 3.633 1.00 0.97 N ATOM 701 CA GLU A 65 9.904 6.787 2.913 1.00 0.96 C ATOM 702 C GLU A 65 8.675 6.281 2.155 1.00 0.83 C ATOM 703 O GLU A 65 8.800 5.632 1.113 1.00 0.86 O ATOM 704 CB GLU A 65 10.400 5.719 3.897 1.00 1.04 C ATOM 705 CG GLU A 65 10.951 4.469 3.231 1.00 1.17 C ATOM 706 CD GLU A 65 11.490 3.465 4.232 1.00 1.41 C ATOM 707 OE1 GLU A 65 12.655 3.615 4.658 1.00 1.70 O ATOM 708 OE2 GLU A 65 10.756 2.526 4.598 1.00 1.51 O ATOM 0 H GLU A 65 9.670 7.935 4.647 1.00 0.97 H new ATOM 0 HA GLU A 65 10.688 6.995 2.185 1.00 0.96 H new ATOM 0 HB2 GLU A 65 11.176 6.154 4.527 1.00 1.04 H new ATOM 0 HB3 GLU A 65 9.577 5.435 4.553 1.00 1.04 H new ATOM 0 HG2 GLU A 65 10.165 4.000 2.639 1.00 1.17 H new ATOM 0 HG3 GLU A 65 11.746 4.750 2.540 1.00 1.17 H new ATOM 715 N ALA A 66 7.491 6.610 2.670 1.00 0.78 N ATOM 716 CA ALA A 66 6.238 6.175 2.065 1.00 0.71 C ATOM 717 C ALA A 66 5.919 7.031 0.853 1.00 0.66 C ATOM 718 O ALA A 66 5.343 8.107 0.991 1.00 0.90 O ATOM 719 CB ALA A 66 5.108 6.271 3.075 1.00 0.80 C ATOM 0 H ALA A 66 7.376 7.179 3.509 1.00 0.78 H new ATOM 0 HA ALA A 66 6.344 5.137 1.749 1.00 0.71 H new ATOM 0 HB1 ALA A 66 4.177 5.944 2.612 1.00 0.80 H new ATOM 0 HB2 ALA A 66 5.331 5.635 3.932 1.00 0.80 H new ATOM 0 HB3 ALA A 66 5.004 7.304 3.408 1.00 0.80 H new ATOM 725 N THR A 67 6.276 6.557 -0.335 1.00 0.57 N ATOM 726 CA THR A 67 6.146 7.383 -1.522 1.00 0.51 C ATOM 727 C THR A 67 4.817 7.147 -2.249 1.00 0.41 C ATOM 728 O THR A 67 4.710 7.368 -3.453 1.00 0.55 O ATOM 729 CB THR A 67 7.308 7.061 -2.489 1.00 0.62 C ATOM 730 OG1 THR A 67 7.295 7.949 -3.614 1.00 0.67 O ATOM 731 CG2 THR A 67 7.220 5.613 -2.971 1.00 0.70 C ATOM 0 H THR A 67 6.651 5.622 -0.498 1.00 0.57 H new ATOM 0 HA THR A 67 6.175 8.426 -1.206 1.00 0.51 H new ATOM 0 HB THR A 67 8.244 7.197 -1.947 1.00 0.62 H new ATOM 0 HG1 THR A 67 6.377 8.047 -3.943 1.00 0.67 H new ATOM 0 HG21 THR A 67 8.046 5.405 -3.651 1.00 0.70 H new ATOM 0 HG22 THR A 67 7.276 4.941 -2.115 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.275 5.460 -3.491 1.00 0.70 H new ATOM 739 N HIS A 68 3.797 6.726 -1.515 1.00 0.50 N ATOM 740 CA HIS A 68 2.425 6.789 -2.025 1.00 0.42 C ATOM 741 C HIS A 68 1.440 7.063 -0.913 1.00 0.44 C ATOM 742 O HIS A 68 1.463 6.386 0.114 1.00 0.61 O ATOM 743 CB HIS A 68 2.031 5.473 -2.716 1.00 0.51 C ATOM 744 CG HIS A 68 2.740 5.217 -4.011 1.00 0.50 C ATOM 745 ND1 HIS A 68 3.671 4.220 -4.169 1.00 1.34 N ATOM 746 CD2 HIS A 68 2.662 5.847 -5.208 1.00 1.05 C ATOM 747 CE1 HIS A 68 4.138 4.249 -5.406 1.00 1.10 C ATOM 748 NE2 HIS A 68 3.543 5.227 -6.061 1.00 0.72 N ATOM 0 H HIS A 68 3.886 6.341 -0.575 1.00 0.50 H new ATOM 0 HA HIS A 68 2.393 7.605 -2.747 1.00 0.42 H new ATOM 0 HB2 HIS A 68 2.232 4.645 -2.036 1.00 0.51 H new ATOM 0 HB3 HIS A 68 0.957 5.481 -2.899 1.00 0.51 H new ATOM 0 HD2 HIS A 68 2.023 6.684 -5.448 1.00 1.05 H new ATOM 0 HE1 HIS A 68 4.884 3.582 -5.813 1.00 1.10 H new ATOM 0 HE2 HIS A 68 3.709 5.480 -7.035 1.00 0.72 H new ATOM 757 N VAL A 69 0.589 8.057 -1.105 1.00 0.37 N ATOM 758 CA VAL A 69 -0.539 8.259 -0.226 1.00 0.36 C ATOM 759 C VAL A 69 -1.818 7.946 -0.989 1.00 0.34 C ATOM 760 O VAL A 69 -2.155 8.639 -1.936 1.00 0.43 O ATOM 761 CB VAL A 69 -0.603 9.702 0.315 1.00 0.41 C ATOM 762 CG1 VAL A 69 -1.884 9.909 1.102 1.00 0.49 C ATOM 763 CG2 VAL A 69 0.614 10.015 1.180 1.00 0.43 C ATOM 0 H VAL A 69 0.662 8.735 -1.864 1.00 0.37 H new ATOM 0 HA VAL A 69 -0.425 7.594 0.630 1.00 0.36 H new ATOM 0 HB VAL A 69 -0.597 10.387 -0.533 1.00 0.41 H new ATOM 0 HG11 VAL A 69 -1.918 10.931 1.479 1.00 0.49 H new ATOM 0 HG12 VAL A 69 -2.742 9.733 0.453 1.00 0.49 H new ATOM 0 HG13 VAL A 69 -1.913 9.212 1.940 1.00 0.49 H new ATOM 0 HG21 VAL A 69 0.545 11.038 1.549 1.00 0.43 H new ATOM 0 HG22 VAL A 69 0.647 9.326 2.024 1.00 0.43 H new ATOM 0 HG23 VAL A 69 1.521 9.904 0.586 1.00 0.43 H new ATOM 773 N VAL A 70 -2.509 6.898 -0.574 1.00 0.35 N ATOM 774 CA VAL A 70 -3.725 6.444 -1.239 1.00 0.36 C ATOM 775 C VAL A 70 -4.924 6.683 -0.335 1.00 0.39 C ATOM 776 O VAL A 70 -4.999 6.137 0.766 1.00 0.65 O ATOM 777 CB VAL A 70 -3.653 4.945 -1.591 1.00 0.46 C ATOM 778 CG1 VAL A 70 -3.004 4.741 -2.946 1.00 0.90 C ATOM 779 CG2 VAL A 70 -2.895 4.171 -0.526 1.00 0.69 C ATOM 0 H VAL A 70 -2.245 6.335 0.235 1.00 0.35 H new ATOM 0 HA VAL A 70 -3.828 7.011 -2.164 1.00 0.36 H new ATOM 0 HB VAL A 70 -4.674 4.564 -1.632 1.00 0.46 H new ATOM 0 HG11 VAL A 70 -2.964 3.676 -3.174 1.00 0.90 H new ATOM 0 HG12 VAL A 70 -3.588 5.254 -3.710 1.00 0.90 H new ATOM 0 HG13 VAL A 70 -1.993 5.147 -2.930 1.00 0.90 H new ATOM 0 HG21 VAL A 70 -2.859 3.116 -0.799 1.00 0.69 H new ATOM 0 HG22 VAL A 70 -1.880 4.560 -0.447 1.00 0.69 H new ATOM 0 HG23 VAL A 70 -3.401 4.280 0.433 1.00 0.69 H new ATOM 789 N MET A 71 -5.839 7.524 -0.777 1.00 0.35 N ATOM 790 CA MET A 71 -7.019 7.839 0.012 1.00 0.34 C ATOM 791 C MET A 71 -8.286 7.386 -0.700 1.00 0.30 C ATOM 792 O MET A 71 -8.318 7.294 -1.929 1.00 0.37 O ATOM 793 CB MET A 71 -7.077 9.344 0.289 1.00 0.45 C ATOM 794 CG MET A 71 -5.810 9.877 0.932 1.00 1.06 C ATOM 795 SD MET A 71 -5.901 11.626 1.359 1.00 1.38 S ATOM 796 CE MET A 71 -7.206 11.626 2.583 1.00 1.68 C ATOM 0 H MET A 71 -5.790 8.002 -1.677 1.00 0.35 H new ATOM 0 HA MET A 71 -6.952 7.304 0.959 1.00 0.34 H new ATOM 0 HB2 MET A 71 -7.254 9.874 -0.647 1.00 0.45 H new ATOM 0 HB3 MET A 71 -7.925 9.556 0.940 1.00 0.45 H new ATOM 0 HG2 MET A 71 -5.600 9.302 1.834 1.00 1.06 H new ATOM 0 HG3 MET A 71 -4.973 9.720 0.251 1.00 1.06 H new ATOM 0 HE1 MET A 71 -7.057 12.456 3.274 1.00 1.68 H new ATOM 0 HE2 MET A 71 -8.170 11.735 2.087 1.00 1.68 H new ATOM 0 HE3 MET A 71 -7.187 10.687 3.135 1.00 1.68 H new ATOM 806 N GLU A 72 -9.319 7.102 0.079 1.00 0.33 N ATOM 807 CA GLU A 72 -10.597 6.648 -0.454 1.00 0.39 C ATOM 808 C GLU A 72 -11.666 7.697 -0.190 1.00 0.41 C ATOM 809 O GLU A 72 -11.683 8.313 0.880 1.00 0.49 O ATOM 810 CB GLU A 72 -10.977 5.307 0.191 1.00 0.56 C ATOM 811 CG GLU A 72 -12.431 4.886 -0.009 1.00 1.10 C ATOM 812 CD GLU A 72 -12.773 4.515 -1.437 1.00 1.59 C ATOM 813 OE1 GLU A 72 -12.681 5.397 -2.319 1.00 2.28 O ATOM 814 OE2 GLU A 72 -13.108 3.343 -1.697 1.00 1.94 O ATOM 0 H GLU A 72 -9.296 7.179 1.096 1.00 0.33 H new ATOM 0 HA GLU A 72 -10.515 6.504 -1.531 1.00 0.39 H new ATOM 0 HB2 GLU A 72 -10.330 4.529 -0.214 1.00 0.56 H new ATOM 0 HB3 GLU A 72 -10.775 5.365 1.260 1.00 0.56 H new ATOM 0 HG2 GLU A 72 -12.645 4.035 0.638 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -13.082 5.700 0.310 1.00 1.10 H new ATOM 821 N GLU A 73 -12.545 7.907 -1.173 1.00 0.51 N ATOM 822 CA GLU A 73 -13.612 8.905 -1.074 1.00 0.68 C ATOM 823 C GLU A 73 -13.030 10.284 -0.784 1.00 0.66 C ATOM 824 O GLU A 73 -13.623 11.100 -0.074 1.00 0.81 O ATOM 825 CB GLU A 73 -14.610 8.497 0.007 1.00 0.87 C ATOM 826 CG GLU A 73 -15.298 7.175 -0.285 1.00 1.08 C ATOM 827 CD GLU A 73 -16.007 6.613 0.921 1.00 1.30 C ATOM 828 OE1 GLU A 73 -16.986 7.237 1.386 1.00 1.54 O ATOM 829 OE2 GLU A 73 -15.597 5.538 1.407 1.00 1.74 O ATOM 0 H GLU A 73 -12.537 7.394 -2.054 1.00 0.51 H new ATOM 0 HA GLU A 73 -14.137 8.956 -2.028 1.00 0.68 H new ATOM 0 HB2 GLU A 73 -14.092 8.427 0.963 1.00 0.87 H new ATOM 0 HB3 GLU A 73 -15.364 9.277 0.110 1.00 0.87 H new ATOM 0 HG2 GLU A 73 -16.017 7.314 -1.093 1.00 1.08 H new ATOM 0 HG3 GLU A 73 -14.559 6.455 -0.636 1.00 1.08 H new ATOM 836 N THR A 74 -11.859 10.523 -1.343 1.00 0.57 N ATOM 837 CA THR A 74 -11.114 11.737 -1.101 1.00 0.56 C ATOM 838 C THR A 74 -10.646 12.328 -2.419 1.00 0.56 C ATOM 839 O THR A 74 -9.776 11.755 -3.082 1.00 0.75 O ATOM 840 CB THR A 74 -9.893 11.439 -0.212 1.00 0.77 C ATOM 841 OG1 THR A 74 -10.324 10.930 1.058 1.00 1.11 O ATOM 842 CG2 THR A 74 -9.041 12.681 -0.013 1.00 0.63 C ATOM 0 H THR A 74 -11.398 9.874 -1.981 1.00 0.57 H new ATOM 0 HA THR A 74 -11.763 12.451 -0.594 1.00 0.56 H new ATOM 0 HB THR A 74 -9.283 10.688 -0.714 1.00 0.77 H new ATOM 0 HG1 THR A 74 -10.752 10.058 0.932 1.00 1.11 H new ATOM 0 HG21 THR A 74 -8.187 12.439 0.619 1.00 0.63 H new ATOM 0 HG22 THR A 74 -8.687 13.038 -0.980 1.00 0.63 H new ATOM 0 HG23 THR A 74 -9.637 13.458 0.465 1.00 0.63 H new ATOM 850 N SER A 75 -11.244 13.441 -2.827 1.00 0.55 N ATOM 851 CA SER A 75 -10.847 14.117 -4.048 1.00 0.63 C ATOM 852 C SER A 75 -9.442 14.710 -3.928 1.00 0.53 C ATOM 853 O SER A 75 -8.846 14.703 -2.845 1.00 0.52 O ATOM 854 CB SER A 75 -11.861 15.215 -4.357 1.00 0.76 C ATOM 855 OG SER A 75 -13.183 14.709 -4.279 1.00 1.31 O ATOM 0 H SER A 75 -12.008 13.893 -2.325 1.00 0.55 H new ATOM 0 HA SER A 75 -10.825 13.391 -4.861 1.00 0.63 H new ATOM 0 HB2 SER A 75 -11.739 16.039 -3.654 1.00 0.76 H new ATOM 0 HB3 SER A 75 -11.678 15.617 -5.353 1.00 0.76 H new ATOM 0 HG SER A 75 -13.820 15.426 -4.478 1.00 1.31 H new ATOM 861 N ALA A 76 -8.936 15.247 -5.034 1.00 0.52 N ATOM 862 CA ALA A 76 -7.562 15.731 -5.102 1.00 0.49 C ATOM 863 C ALA A 76 -7.267 16.752 -4.011 1.00 0.40 C ATOM 864 O ALA A 76 -6.357 16.555 -3.212 1.00 0.41 O ATOM 865 CB ALA A 76 -7.279 16.327 -6.470 1.00 0.57 C ATOM 0 H ALA A 76 -9.462 15.358 -5.901 1.00 0.52 H new ATOM 0 HA ALA A 76 -6.905 14.876 -4.941 1.00 0.49 H new ATOM 0 HB1 ALA A 76 -6.250 16.684 -6.506 1.00 0.57 H new ATOM 0 HB2 ALA A 76 -7.426 15.566 -7.236 1.00 0.57 H new ATOM 0 HB3 ALA A 76 -7.958 17.160 -6.652 1.00 0.57 H new ATOM 871 N GLU A 77 -8.055 17.823 -3.965 1.00 0.42 N ATOM 872 CA GLU A 77 -7.817 18.923 -3.029 1.00 0.44 C ATOM 873 C GLU A 77 -7.802 18.447 -1.575 1.00 0.38 C ATOM 874 O GLU A 77 -6.979 18.899 -0.778 1.00 0.39 O ATOM 875 CB GLU A 77 -8.876 20.007 -3.222 1.00 0.61 C ATOM 876 CG GLU A 77 -10.299 19.510 -3.051 1.00 1.06 C ATOM 877 CD GLU A 77 -11.319 20.622 -3.160 1.00 1.33 C ATOM 878 OE1 GLU A 77 -11.517 21.357 -2.168 1.00 1.91 O ATOM 879 OE2 GLU A 77 -11.930 20.765 -4.240 1.00 1.80 O ATOM 0 H GLU A 77 -8.868 17.954 -4.567 1.00 0.42 H new ATOM 0 HA GLU A 77 -6.831 19.334 -3.244 1.00 0.44 H new ATOM 0 HB2 GLU A 77 -8.694 20.811 -2.509 1.00 0.61 H new ATOM 0 HB3 GLU A 77 -8.768 20.434 -4.219 1.00 0.61 H new ATOM 0 HG2 GLU A 77 -10.509 18.753 -3.807 1.00 1.06 H new ATOM 0 HG3 GLU A 77 -10.397 19.026 -2.079 1.00 1.06 H new ATOM 886 N GLU A 78 -8.722 17.552 -1.231 1.00 0.41 N ATOM 887 CA GLU A 78 -8.753 16.953 0.098 1.00 0.43 C ATOM 888 C GLU A 78 -7.411 16.311 0.438 1.00 0.38 C ATOM 889 O GLU A 78 -6.808 16.614 1.469 1.00 0.40 O ATOM 890 CB GLU A 78 -9.861 15.905 0.181 1.00 0.51 C ATOM 891 CG GLU A 78 -11.264 16.484 0.143 1.00 0.59 C ATOM 892 CD GLU A 78 -11.590 17.281 1.387 1.00 1.23 C ATOM 893 OE1 GLU A 78 -11.826 16.667 2.449 1.00 1.95 O ATOM 894 OE2 GLU A 78 -11.597 18.526 1.315 1.00 1.38 O ATOM 0 H GLU A 78 -9.458 17.225 -1.857 1.00 0.41 H new ATOM 0 HA GLU A 78 -8.952 17.745 0.820 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -9.746 15.204 -0.646 1.00 0.51 H new ATOM 0 HB3 GLU A 78 -9.739 15.335 1.102 1.00 0.51 H new ATOM 0 HG2 GLU A 78 -11.367 17.124 -0.733 1.00 0.59 H new ATOM 0 HG3 GLU A 78 -11.986 15.675 0.033 1.00 0.59 H new ATOM 901 N ALA A 79 -6.936 15.446 -0.449 1.00 0.34 N ATOM 902 CA ALA A 79 -5.670 14.759 -0.237 1.00 0.32 C ATOM 903 C ALA A 79 -4.496 15.731 -0.347 1.00 0.33 C ATOM 904 O ALA A 79 -3.442 15.513 0.250 1.00 0.38 O ATOM 905 CB ALA A 79 -5.520 13.609 -1.219 1.00 0.32 C ATOM 0 H ALA A 79 -7.408 15.204 -1.320 1.00 0.34 H new ATOM 0 HA ALA A 79 -5.667 14.348 0.773 1.00 0.32 H new ATOM 0 HB1 ALA A 79 -4.568 13.106 -1.047 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -6.336 12.900 -1.077 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -5.548 13.995 -2.238 1.00 0.32 H new ATOM 911 N VAL A 80 -4.688 16.810 -1.102 1.00 0.33 N ATOM 912 CA VAL A 80 -3.681 17.856 -1.226 1.00 0.39 C ATOM 913 C VAL A 80 -3.485 18.540 0.121 1.00 0.45 C ATOM 914 O VAL A 80 -2.358 18.756 0.569 1.00 0.52 O ATOM 915 CB VAL A 80 -4.080 18.904 -2.298 1.00 0.43 C ATOM 916 CG1 VAL A 80 -3.272 20.183 -2.156 1.00 0.50 C ATOM 917 CG2 VAL A 80 -3.905 18.331 -3.696 1.00 0.44 C ATOM 0 H VAL A 80 -5.538 16.981 -1.639 1.00 0.33 H new ATOM 0 HA VAL A 80 -2.747 17.392 -1.543 1.00 0.39 H new ATOM 0 HB VAL A 80 -5.131 19.149 -2.141 1.00 0.43 H new ATOM 0 HG11 VAL A 80 -3.578 20.894 -2.923 1.00 0.50 H new ATOM 0 HG12 VAL A 80 -3.445 20.615 -1.171 1.00 0.50 H new ATOM 0 HG13 VAL A 80 -2.212 19.958 -2.272 1.00 0.50 H new ATOM 0 HG21 VAL A 80 -4.190 19.080 -4.435 1.00 0.44 H new ATOM 0 HG22 VAL A 80 -2.862 18.051 -3.847 1.00 0.44 H new ATOM 0 HG23 VAL A 80 -4.537 17.451 -3.810 1.00 0.44 H new ATOM 927 N SER A 81 -4.599 18.831 0.775 1.00 0.46 N ATOM 928 CA SER A 81 -4.575 19.461 2.081 1.00 0.55 C ATOM 929 C SER A 81 -3.986 18.495 3.100 1.00 0.53 C ATOM 930 O SER A 81 -3.205 18.886 3.968 1.00 0.59 O ATOM 931 CB SER A 81 -5.987 19.880 2.482 1.00 0.59 C ATOM 932 OG SER A 81 -6.585 20.664 1.462 1.00 1.03 O ATOM 0 H SER A 81 -5.535 18.639 0.418 1.00 0.46 H new ATOM 0 HA SER A 81 -3.951 20.354 2.046 1.00 0.55 H new ATOM 0 HB2 SER A 81 -6.595 18.995 2.671 1.00 0.59 H new ATOM 0 HB3 SER A 81 -5.953 20.448 3.412 1.00 0.59 H new ATOM 0 HG SER A 81 -6.828 20.088 0.707 1.00 1.03 H new ATOM 938 N TRP A 82 -4.368 17.225 2.979 1.00 0.46 N ATOM 939 CA TRP A 82 -3.794 16.170 3.800 1.00 0.47 C ATOM 940 C TRP A 82 -2.272 16.113 3.645 1.00 0.48 C ATOM 941 O TRP A 82 -1.551 16.082 4.641 1.00 0.52 O ATOM 942 CB TRP A 82 -4.422 14.817 3.448 1.00 0.46 C ATOM 943 CG TRP A 82 -3.501 13.659 3.674 1.00 0.42 C ATOM 944 CD1 TRP A 82 -2.819 12.973 2.716 1.00 0.42 C ATOM 945 CD2 TRP A 82 -3.144 13.060 4.929 1.00 0.42 C ATOM 946 NE1 TRP A 82 -2.058 11.992 3.291 1.00 0.41 N ATOM 947 CE2 TRP A 82 -2.242 12.019 4.646 1.00 0.40 C ATOM 948 CE3 TRP A 82 -3.496 13.302 6.260 1.00 0.46 C ATOM 949 CZ2 TRP A 82 -1.689 11.222 5.639 1.00 0.41 C ATOM 950 CZ3 TRP A 82 -2.945 12.505 7.247 1.00 0.46 C ATOM 951 CH2 TRP A 82 -2.049 11.477 6.930 1.00 0.43 C ATOM 0 H TRP A 82 -5.075 16.905 2.317 1.00 0.46 H new ATOM 0 HA TRP A 82 -4.015 16.397 4.843 1.00 0.47 H new ATOM 0 HB2 TRP A 82 -5.324 14.677 4.044 1.00 0.46 H new ATOM 0 HB3 TRP A 82 -4.730 14.828 2.402 1.00 0.46 H new ATOM 0 HD1 TRP A 82 -2.871 13.174 1.656 1.00 0.42 H new ATOM 0 HE1 TRP A 82 -1.451 11.344 2.789 1.00 0.41 H new ATOM 0 HE3 TRP A 82 -4.184 14.095 6.512 1.00 0.46 H new ATOM 0 HZ2 TRP A 82 -0.998 10.428 5.398 1.00 0.41 H new ATOM 0 HZ3 TRP A 82 -3.210 12.679 8.279 1.00 0.46 H new ATOM 0 HH2 TRP A 82 -1.634 10.873 7.724 1.00 0.43 H new ATOM 962 N GLN A 83 -1.790 16.086 2.402 1.00 0.49 N ATOM 963 CA GLN A 83 -0.354 16.030 2.139 1.00 0.55 C ATOM 964 C GLN A 83 0.363 17.214 2.781 1.00 0.60 C ATOM 965 O GLN A 83 1.399 17.045 3.428 1.00 0.61 O ATOM 966 CB GLN A 83 -0.074 16.012 0.637 1.00 0.64 C ATOM 967 CG GLN A 83 1.403 15.876 0.299 1.00 0.84 C ATOM 968 CD GLN A 83 1.672 15.884 -1.191 1.00 1.04 C ATOM 969 OE1 GLN A 83 2.617 15.260 -1.666 1.00 1.48 O ATOM 970 NE2 GLN A 83 0.856 16.612 -1.936 1.00 0.98 N ATOM 0 H GLN A 83 -2.372 16.102 1.564 1.00 0.49 H new ATOM 0 HA GLN A 83 0.025 15.107 2.578 1.00 0.55 H new ATOM 0 HB2 GLN A 83 -0.621 15.185 0.183 1.00 0.64 H new ATOM 0 HB3 GLN A 83 -0.458 16.930 0.192 1.00 0.64 H new ATOM 0 HG2 GLN A 83 1.954 16.692 0.766 1.00 0.84 H new ATOM 0 HG3 GLN A 83 1.784 14.949 0.726 1.00 0.84 H new ATOM 0 HE21 GLN A 83 0.082 17.116 -1.502 1.00 0.98 H new ATOM 0 HE22 GLN A 83 1.001 16.670 -2.944 1.00 0.98 H new ATOM 979 N GLU A 84 -0.204 18.404 2.615 1.00 0.68 N ATOM 980 CA GLU A 84 0.365 19.618 3.190 1.00 0.78 C ATOM 981 C GLU A 84 0.426 19.521 4.713 1.00 0.82 C ATOM 982 O GLU A 84 1.328 20.062 5.343 1.00 0.95 O ATOM 983 CB GLU A 84 -0.459 20.831 2.771 1.00 0.86 C ATOM 984 CG GLU A 84 -0.377 21.127 1.287 1.00 0.94 C ATOM 985 CD GLU A 84 0.991 21.608 0.853 1.00 1.25 C ATOM 986 OE1 GLU A 84 1.279 22.812 1.003 1.00 1.47 O ATOM 987 OE2 GLU A 84 1.795 20.780 0.378 1.00 1.61 O ATOM 0 H GLU A 84 -1.062 18.554 2.084 1.00 0.68 H new ATOM 0 HA GLU A 84 1.382 19.733 2.815 1.00 0.78 H new ATOM 0 HB2 GLU A 84 -1.501 20.666 3.045 1.00 0.86 H new ATOM 0 HB3 GLU A 84 -0.118 21.704 3.328 1.00 0.86 H new ATOM 0 HG2 GLU A 84 -0.633 20.227 0.728 1.00 0.94 H new ATOM 0 HG3 GLU A 84 -1.119 21.883 1.032 1.00 0.94 H new ATOM 994 N ARG A 85 -0.531 18.802 5.284 1.00 0.77 N ATOM 995 CA ARG A 85 -0.590 18.596 6.725 1.00 0.87 C ATOM 996 C ARG A 85 0.437 17.551 7.155 1.00 0.80 C ATOM 997 O ARG A 85 1.243 17.793 8.054 1.00 0.93 O ATOM 998 CB ARG A 85 -1.995 18.155 7.145 1.00 0.96 C ATOM 999 CG ARG A 85 -2.109 17.839 8.625 1.00 1.23 C ATOM 1000 CD ARG A 85 -1.991 19.089 9.484 1.00 1.45 C ATOM 1001 NE ARG A 85 -1.956 18.759 10.910 1.00 2.09 N ATOM 1002 CZ ARG A 85 -2.416 19.555 11.876 1.00 2.42 C ATOM 1003 NH1 ARG A 85 -2.967 20.725 11.569 1.00 2.45 N ATOM 1004 NH2 ARG A 85 -2.322 19.180 13.150 1.00 3.26 N ATOM 0 H ARG A 85 -1.283 18.348 4.766 1.00 0.77 H new ATOM 0 HA ARG A 85 -0.358 19.540 7.217 1.00 0.87 H new ATOM 0 HB2 ARG A 85 -2.706 18.942 6.893 1.00 0.96 H new ATOM 0 HB3 ARG A 85 -2.279 17.274 6.570 1.00 0.96 H new ATOM 0 HG2 ARG A 85 -3.065 17.354 8.820 1.00 1.23 H new ATOM 0 HG3 ARG A 85 -1.329 17.131 8.906 1.00 1.23 H new ATOM 0 HD2 ARG A 85 -1.086 19.634 9.213 1.00 1.45 H new ATOM 0 HD3 ARG A 85 -2.834 19.751 9.283 1.00 1.45 H new ATOM 0 HE ARG A 85 -1.554 17.862 11.182 1.00 2.09 H new ATOM 0 HH11 ARG A 85 -3.038 21.015 10.594 1.00 2.45 H new ATOM 0 HH12 ARG A 85 -3.318 21.333 12.309 1.00 2.45 H new ATOM 0 HH21 ARG A 85 -1.898 18.283 13.388 1.00 3.26 H new ATOM 0 HH22 ARG A 85 -2.674 19.789 13.888 1.00 3.26 H new ATOM 1018 N ARG A 86 0.390 16.392 6.503 1.00 0.71 N ATOM 1019 CA ARG A 86 1.293 15.285 6.813 1.00 0.80 C ATOM 1020 C ARG A 86 2.747 15.741 6.766 1.00 0.75 C ATOM 1021 O ARG A 86 3.536 15.422 7.656 1.00 0.78 O ATOM 1022 CB ARG A 86 1.104 14.125 5.831 1.00 0.96 C ATOM 1023 CG ARG A 86 1.556 12.783 6.395 1.00 1.18 C ATOM 1024 CD ARG A 86 1.872 11.771 5.303 1.00 1.04 C ATOM 1025 NE ARG A 86 3.223 11.955 4.771 1.00 1.92 N ATOM 1026 CZ ARG A 86 3.907 11.015 4.112 1.00 2.68 C ATOM 1027 NH1 ARG A 86 3.345 9.843 3.839 1.00 2.91 N ATOM 1028 NH2 ARG A 86 5.154 11.256 3.721 1.00 3.72 N ATOM 0 H ARG A 86 -0.269 16.194 5.750 1.00 0.71 H new ATOM 0 HA ARG A 86 1.051 14.945 7.820 1.00 0.80 H new ATOM 0 HB2 ARG A 86 0.052 14.060 5.554 1.00 0.96 H new ATOM 0 HB3 ARG A 86 1.662 14.335 4.918 1.00 0.96 H new ATOM 0 HG2 ARG A 86 2.440 12.932 7.015 1.00 1.18 H new ATOM 0 HG3 ARG A 86 0.776 12.383 7.043 1.00 1.18 H new ATOM 0 HD2 ARG A 86 1.772 10.762 5.702 1.00 1.04 H new ATOM 0 HD3 ARG A 86 1.146 11.868 4.496 1.00 1.04 H new ATOM 0 HE ARG A 86 3.672 12.860 4.913 1.00 1.92 H new ATOM 0 HH11 ARG A 86 2.386 9.656 4.133 1.00 2.91 H new ATOM 0 HH12 ARG A 86 3.872 9.129 3.336 1.00 2.91 H new ATOM 0 HH21 ARG A 86 5.587 12.157 3.924 1.00 3.72 H new ATOM 0 HH22 ARG A 86 5.678 10.540 3.218 1.00 3.72 H new ATOM 1042 N MET A 87 3.099 16.488 5.728 1.00 0.77 N ATOM 1043 CA MET A 87 4.480 16.915 5.538 1.00 0.89 C ATOM 1044 C MET A 87 4.817 18.121 6.409 1.00 0.93 C ATOM 1045 O MET A 87 5.984 18.381 6.676 1.00 1.01 O ATOM 1046 CB MET A 87 4.756 17.226 4.068 1.00 1.11 C ATOM 1047 CG MET A 87 4.403 16.081 3.126 1.00 1.21 C ATOM 1048 SD MET A 87 5.040 14.483 3.682 1.00 1.69 S ATOM 1049 CE MET A 87 6.806 14.793 3.690 1.00 1.11 C ATOM 0 H MET A 87 2.452 16.810 5.008 1.00 0.77 H new ATOM 0 HA MET A 87 5.122 16.090 5.845 1.00 0.89 H new ATOM 0 HB2 MET A 87 4.189 18.111 3.780 1.00 1.11 H new ATOM 0 HB3 MET A 87 5.811 17.471 3.949 1.00 1.11 H new ATOM 0 HG2 MET A 87 3.319 16.019 3.029 1.00 1.21 H new ATOM 0 HG3 MET A 87 4.800 16.299 2.134 1.00 1.21 H new ATOM 0 HE1 MET A 87 7.322 13.969 3.197 1.00 1.11 H new ATOM 0 HE2 MET A 87 7.015 15.722 3.159 1.00 1.11 H new ATOM 0 HE3 MET A 87 7.156 14.877 4.719 1.00 1.11 H new ATOM 1059 N ALA A 88 3.799 18.855 6.854 1.00 0.97 N ATOM 1060 CA ALA A 88 4.016 19.979 7.764 1.00 1.13 C ATOM 1061 C ALA A 88 4.345 19.474 9.161 1.00 1.14 C ATOM 1062 O ALA A 88 4.951 20.184 9.966 1.00 1.29 O ATOM 1063 CB ALA A 88 2.798 20.888 7.811 1.00 1.32 C ATOM 0 H ALA A 88 2.824 18.694 6.602 1.00 0.97 H new ATOM 0 HA ALA A 88 4.860 20.558 7.388 1.00 1.13 H new ATOM 0 HB1 ALA A 88 2.987 21.715 8.495 1.00 1.32 H new ATOM 0 HB2 ALA A 88 2.598 21.280 6.814 1.00 1.32 H new ATOM 0 HB3 ALA A 88 1.934 20.321 8.158 1.00 1.32 H new ATOM 1069 N ALA A 89 3.927 18.248 9.444 1.00 1.05 N ATOM 1070 CA ALA A 89 4.265 17.594 10.697 1.00 1.18 C ATOM 1071 C ALA A 89 5.745 17.240 10.713 1.00 1.20 C ATOM 1072 O ALA A 89 6.350 17.069 11.770 1.00 1.45 O ATOM 1073 CB ALA A 89 3.413 16.350 10.888 1.00 1.25 C ATOM 0 H ALA A 89 3.351 17.685 8.818 1.00 1.05 H new ATOM 0 HA ALA A 89 4.061 18.277 11.522 1.00 1.18 H new ATOM 0 HB1 ALA A 89 3.676 15.870 11.830 1.00 1.25 H new ATOM 0 HB2 ALA A 89 2.360 16.630 10.905 1.00 1.25 H new ATOM 0 HB3 ALA A 89 3.591 15.657 10.066 1.00 1.25 H new ATOM 1079 N ALA A 90 6.315 17.137 9.521 1.00 1.01 N ATOM 1080 CA ALA A 90 7.727 16.843 9.347 1.00 1.10 C ATOM 1081 C ALA A 90 8.495 18.131 9.049 1.00 1.12 C ATOM 1082 O ALA A 90 7.901 19.132 8.649 1.00 1.00 O ATOM 1083 CB ALA A 90 7.906 15.836 8.219 1.00 1.05 C ATOM 0 H ALA A 90 5.807 17.256 8.644 1.00 1.01 H new ATOM 0 HA ALA A 90 8.124 16.411 10.266 1.00 1.10 H new ATOM 0 HB1 ALA A 90 8.966 15.618 8.091 1.00 1.05 H new ATOM 0 HB2 ALA A 90 7.373 14.917 8.464 1.00 1.05 H new ATOM 0 HB3 ALA A 90 7.507 16.251 7.294 1.00 1.05 H new ATOM 1089 N PRO A 91 9.815 18.144 9.278 1.00 1.40 N ATOM 1090 CA PRO A 91 10.657 19.297 8.949 1.00 1.57 C ATOM 1091 C PRO A 91 10.848 19.444 7.439 1.00 1.45 C ATOM 1092 O PRO A 91 11.173 18.470 6.753 1.00 1.42 O ATOM 1093 CB PRO A 91 12.000 18.980 9.628 1.00 1.91 C ATOM 1094 CG PRO A 91 11.733 17.812 10.522 1.00 1.96 C ATOM 1095 CD PRO A 91 10.592 17.067 9.898 1.00 1.67 C ATOM 0 HA PRO A 91 10.214 20.235 9.285 1.00 1.57 H new ATOM 0 HB2 PRO A 91 12.766 18.742 8.890 1.00 1.91 H new ATOM 0 HB3 PRO A 91 12.362 19.835 10.198 1.00 1.91 H new ATOM 0 HG2 PRO A 91 12.614 17.176 10.607 1.00 1.96 H new ATOM 0 HG3 PRO A 91 11.479 18.142 11.530 1.00 1.96 H new ATOM 0 HD2 PRO A 91 10.936 16.339 9.163 1.00 1.67 H new ATOM 0 HD3 PRO A 91 10.009 16.521 10.640 1.00 1.67 H new ATOM 1103 N PRO A 92 10.621 20.658 6.903 1.00 1.56 N ATOM 1104 CA PRO A 92 10.806 20.954 5.475 1.00 1.67 C ATOM 1105 C PRO A 92 12.177 20.520 4.971 1.00 1.87 C ATOM 1106 O PRO A 92 13.207 20.818 5.584 1.00 2.74 O ATOM 1107 CB PRO A 92 10.658 22.474 5.407 1.00 1.98 C ATOM 1108 CG PRO A 92 9.784 22.809 6.561 1.00 2.05 C ATOM 1109 CD PRO A 92 10.151 21.838 7.648 1.00 1.77 C ATOM 0 HA PRO A 92 10.093 20.419 4.847 1.00 1.67 H new ATOM 0 HB2 PRO A 92 11.625 22.972 5.482 1.00 1.98 H new ATOM 0 HB3 PRO A 92 10.210 22.788 4.464 1.00 1.98 H new ATOM 0 HG2 PRO A 92 9.942 23.837 6.886 1.00 2.05 H new ATOM 0 HG3 PRO A 92 8.731 22.717 6.294 1.00 2.05 H new ATOM 0 HD2 PRO A 92 10.928 22.238 8.299 1.00 1.77 H new ATOM 0 HD3 PRO A 92 9.296 21.600 8.281 1.00 1.77 H new ATOM 1117 N GLY A 93 12.182 19.824 3.846 1.00 1.48 N ATOM 1118 CA GLY A 93 13.388 19.186 3.369 1.00 1.64 C ATOM 1119 C GLY A 93 13.189 17.689 3.278 1.00 1.50 C ATOM 1120 O GLY A 93 14.009 16.964 2.711 1.00 1.68 O ATOM 0 H GLY A 93 11.365 19.689 3.251 1.00 1.48 H new ATOM 0 HA2 GLY A 93 13.656 19.584 2.390 1.00 1.64 H new ATOM 0 HA3 GLY A 93 14.216 19.409 4.041 1.00 1.64 H new ATOM 1124 N CYS A 94 12.085 17.237 3.852 1.00 1.28 N ATOM 1125 CA CYS A 94 11.683 15.843 3.781 1.00 1.27 C ATOM 1126 C CYS A 94 11.140 15.531 2.393 1.00 1.14 C ATOM 1127 O CYS A 94 10.520 16.385 1.758 1.00 1.17 O ATOM 1128 CB CYS A 94 10.628 15.560 4.851 1.00 1.33 C ATOM 1129 SG CYS A 94 9.344 16.830 4.966 1.00 2.34 S ATOM 0 H CYS A 94 11.443 17.828 4.380 1.00 1.28 H new ATOM 0 HA CYS A 94 12.547 15.204 3.964 1.00 1.27 H new ATOM 0 HB2 CYS A 94 10.158 14.600 4.639 1.00 1.33 H new ATOM 0 HB3 CYS A 94 11.121 15.467 5.819 1.00 1.33 H new ATOM 0 HG CYS A 94 9.772 17.814 5.700 1.00 2.34 H new ATOM 1135 N THR A 95 11.398 14.320 1.920 1.00 1.27 N ATOM 1136 CA THR A 95 10.976 13.908 0.590 1.00 1.33 C ATOM 1137 C THR A 95 9.455 13.786 0.505 1.00 0.96 C ATOM 1138 O THR A 95 8.848 12.979 1.210 1.00 0.86 O ATOM 1139 CB THR A 95 11.608 12.557 0.205 1.00 1.73 C ATOM 1140 OG1 THR A 95 13.030 12.618 0.392 1.00 1.72 O ATOM 1141 CG2 THR A 95 11.301 12.199 -1.241 1.00 2.23 C ATOM 0 H THR A 95 11.901 13.602 2.442 1.00 1.27 H new ATOM 0 HA THR A 95 11.313 14.677 -0.105 1.00 1.33 H new ATOM 0 HB THR A 95 11.182 11.787 0.848 1.00 1.73 H new ATOM 0 HG1 THR A 95 13.429 11.757 0.148 1.00 1.72 H new ATOM 0 HG21 THR A 95 11.760 11.241 -1.484 1.00 2.23 H new ATOM 0 HG22 THR A 95 10.222 12.129 -1.377 1.00 2.23 H new ATOM 0 HG23 THR A 95 11.701 12.970 -1.900 1.00 2.23 H new ATOM 1149 N PRO A 96 8.824 14.610 -0.345 1.00 0.93 N ATOM 1150 CA PRO A 96 7.385 14.545 -0.587 1.00 0.76 C ATOM 1151 C PRO A 96 6.998 13.259 -1.306 1.00 0.61 C ATOM 1152 O PRO A 96 7.551 12.935 -2.361 1.00 0.71 O ATOM 1153 CB PRO A 96 7.099 15.764 -1.479 1.00 1.07 C ATOM 1154 CG PRO A 96 8.321 16.615 -1.395 1.00 1.30 C ATOM 1155 CD PRO A 96 9.459 15.676 -1.129 1.00 1.27 C ATOM 0 HA PRO A 96 6.814 14.552 0.342 1.00 0.76 H new ATOM 0 HB2 PRO A 96 6.902 15.460 -2.507 1.00 1.07 H new ATOM 0 HB3 PRO A 96 6.219 16.306 -1.133 1.00 1.07 H new ATOM 0 HG2 PRO A 96 8.478 17.166 -2.322 1.00 1.30 H new ATOM 0 HG3 PRO A 96 8.229 17.353 -0.598 1.00 1.30 H new ATOM 0 HD2 PRO A 96 9.893 15.295 -2.053 1.00 1.27 H new ATOM 0 HD3 PRO A 96 10.263 16.161 -0.576 1.00 1.27 H new ATOM 1163 N PRO A 97 6.066 12.492 -0.719 1.00 0.50 N ATOM 1164 CA PRO A 97 5.531 11.272 -1.333 1.00 0.46 C ATOM 1165 C PRO A 97 4.753 11.560 -2.612 1.00 0.45 C ATOM 1166 O PRO A 97 4.806 12.659 -3.164 1.00 0.68 O ATOM 1167 CB PRO A 97 4.581 10.723 -0.261 1.00 0.59 C ATOM 1168 CG PRO A 97 4.239 11.894 0.583 1.00 0.69 C ATOM 1169 CD PRO A 97 5.474 12.742 0.603 1.00 0.64 C ATOM 0 HA PRO A 97 6.325 10.584 -1.622 1.00 0.46 H new ATOM 0 HB2 PRO A 97 3.689 10.286 -0.710 1.00 0.59 H new ATOM 0 HB3 PRO A 97 5.059 9.939 0.326 1.00 0.59 H new ATOM 0 HG2 PRO A 97 3.392 12.442 0.170 1.00 0.69 H new ATOM 0 HG3 PRO A 97 3.958 11.585 1.590 1.00 0.69 H new ATOM 0 HD2 PRO A 97 5.238 13.796 0.747 1.00 0.64 H new ATOM 0 HD3 PRO A 97 6.149 12.454 1.409 1.00 0.64 H new ATOM 1177 N ALA A 98 4.013 10.566 -3.060 1.00 0.44 N ATOM 1178 CA ALA A 98 3.196 10.706 -4.242 1.00 0.44 C ATOM 1179 C ALA A 98 1.739 10.728 -3.839 1.00 0.38 C ATOM 1180 O ALA A 98 1.248 9.784 -3.210 1.00 0.39 O ATOM 1181 CB ALA A 98 3.460 9.574 -5.223 1.00 0.54 C ATOM 0 H ALA A 98 3.963 9.648 -2.618 1.00 0.44 H new ATOM 0 HA ALA A 98 3.450 11.642 -4.740 1.00 0.44 H new ATOM 0 HB1 ALA A 98 2.832 9.703 -6.105 1.00 0.54 H new ATOM 0 HB2 ALA A 98 4.509 9.587 -5.519 1.00 0.54 H new ATOM 0 HB3 ALA A 98 3.228 8.620 -4.749 1.00 0.54 H new ATOM 1187 N LEU A 99 1.063 11.809 -4.167 1.00 0.45 N ATOM 1188 CA LEU A 99 -0.350 11.939 -3.883 1.00 0.44 C ATOM 1189 C LEU A 99 -1.137 11.182 -4.940 1.00 0.44 C ATOM 1190 O LEU A 99 -0.720 11.115 -6.095 1.00 0.61 O ATOM 1191 CB LEU A 99 -0.765 13.410 -3.833 1.00 0.52 C ATOM 1192 CG LEU A 99 -1.886 13.732 -2.839 1.00 0.41 C ATOM 1193 CD1 LEU A 99 -1.528 13.228 -1.448 1.00 0.46 C ATOM 1194 CD2 LEU A 99 -2.143 15.228 -2.802 1.00 0.46 C ATOM 0 H LEU A 99 1.474 12.617 -4.635 1.00 0.45 H new ATOM 0 HA LEU A 99 -0.564 11.512 -2.903 1.00 0.44 H new ATOM 0 HB2 LEU A 99 0.109 14.010 -3.579 1.00 0.52 H new ATOM 0 HB3 LEU A 99 -1.084 13.716 -4.829 1.00 0.52 H new ATOM 0 HG LEU A 99 -2.794 13.227 -3.169 1.00 0.41 H new ATOM 0 HD11 LEU A 99 -2.336 13.466 -0.756 1.00 0.46 H new ATOM 0 HD12 LEU A 99 -1.382 12.148 -1.479 1.00 0.46 H new ATOM 0 HD13 LEU A 99 -0.609 13.709 -1.112 1.00 0.46 H new ATOM 0 HD21 LEU A 99 -2.942 15.443 -2.092 1.00 0.46 H new ATOM 0 HD22 LEU A 99 -1.235 15.746 -2.494 1.00 0.46 H new ATOM 0 HD23 LEU A 99 -2.437 15.571 -3.794 1.00 0.46 H new ATOM 1206 N LEU A 100 -2.304 10.683 -4.548 1.00 0.44 N ATOM 1207 CA LEU A 100 -2.974 9.634 -5.332 1.00 0.39 C ATOM 1208 C LEU A 100 -4.168 9.067 -4.587 1.00 0.44 C ATOM 1209 O LEU A 100 -4.267 9.174 -3.367 1.00 0.66 O ATOM 1210 CB LEU A 100 -2.046 8.512 -5.852 1.00 0.53 C ATOM 1211 CG LEU A 100 -0.724 8.268 -5.120 1.00 0.54 C ATOM 1212 CD1 LEU A 100 -0.781 7.015 -4.271 1.00 0.79 C ATOM 1213 CD2 LEU A 100 0.403 8.177 -6.135 1.00 0.98 C ATOM 0 H LEU A 100 -2.804 10.976 -3.709 1.00 0.44 H new ATOM 0 HA LEU A 100 -3.326 10.139 -6.232 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -2.611 7.580 -5.838 1.00 0.53 H new ATOM 0 HB3 LEU A 100 -1.814 8.729 -6.895 1.00 0.53 H new ATOM 0 HG LEU A 100 -0.540 9.105 -4.446 1.00 0.54 H new ATOM 0 HD11 LEU A 100 0.175 6.874 -3.766 1.00 0.79 H new ATOM 0 HD12 LEU A 100 -1.572 7.115 -3.528 1.00 0.79 H new ATOM 0 HD13 LEU A 100 -0.986 6.154 -4.907 1.00 0.79 H new ATOM 0 HD21 LEU A 100 1.346 8.003 -5.617 1.00 0.98 H new ATOM 0 HD22 LEU A 100 0.209 7.353 -6.821 1.00 0.98 H new ATOM 0 HD23 LEU A 100 0.464 9.110 -6.696 1.00 0.98 H new ATOM 1225 N ASP A 101 -5.110 8.517 -5.327 1.00 0.41 N ATOM 1226 CA ASP A 101 -6.210 7.818 -4.691 1.00 0.44 C ATOM 1227 C ASP A 101 -5.976 6.313 -4.670 1.00 0.40 C ATOM 1228 O ASP A 101 -5.115 5.777 -5.374 1.00 0.47 O ATOM 1229 CB ASP A 101 -7.517 8.131 -5.424 1.00 0.52 C ATOM 1230 CG ASP A 101 -7.774 7.210 -6.603 1.00 1.03 C ATOM 1231 OD1 ASP A 101 -7.129 7.380 -7.669 1.00 1.92 O ATOM 1232 OD2 ASP A 101 -8.634 6.315 -6.472 1.00 1.25 O ATOM 0 H ASP A 101 -5.138 8.538 -6.346 1.00 0.41 H new ATOM 0 HA ASP A 101 -6.277 8.162 -3.659 1.00 0.44 H new ATOM 0 HB2 ASP A 101 -8.348 8.054 -4.722 1.00 0.52 H new ATOM 0 HB3 ASP A 101 -7.492 9.163 -5.775 1.00 0.52 H new ATOM 1237 N ILE A 102 -6.790 5.658 -3.850 1.00 0.46 N ATOM 1238 CA ILE A 102 -6.633 4.247 -3.480 1.00 0.42 C ATOM 1239 C ILE A 102 -6.791 3.304 -4.681 1.00 0.46 C ATOM 1240 O ILE A 102 -6.530 2.103 -4.588 1.00 0.77 O ATOM 1241 CB ILE A 102 -7.658 3.895 -2.367 1.00 0.41 C ATOM 1242 CG1 ILE A 102 -7.598 2.415 -1.973 1.00 0.42 C ATOM 1243 CG2 ILE A 102 -9.062 4.273 -2.799 1.00 0.45 C ATOM 1244 CD1 ILE A 102 -6.312 2.018 -1.294 1.00 0.44 C ATOM 0 H ILE A 102 -7.598 6.099 -3.411 1.00 0.46 H new ATOM 0 HA ILE A 102 -5.618 4.106 -3.109 1.00 0.42 H new ATOM 0 HB ILE A 102 -7.389 4.476 -1.485 1.00 0.41 H new ATOM 0 HG12 ILE A 102 -8.433 2.191 -1.309 1.00 0.42 H new ATOM 0 HG13 ILE A 102 -7.729 1.805 -2.867 1.00 0.42 H new ATOM 0 HG21 ILE A 102 -9.767 4.019 -2.007 1.00 0.45 H new ATOM 0 HG22 ILE A 102 -9.106 5.344 -2.995 1.00 0.45 H new ATOM 0 HG23 ILE A 102 -9.323 3.727 -3.706 1.00 0.45 H new ATOM 0 HD11 ILE A 102 -6.344 0.957 -1.046 1.00 0.44 H new ATOM 0 HD12 ILE A 102 -5.473 2.209 -1.963 1.00 0.44 H new ATOM 0 HD13 ILE A 102 -6.187 2.601 -0.381 1.00 0.44 H new ATOM 1256 N SER A 103 -7.164 3.861 -5.819 1.00 0.42 N ATOM 1257 CA SER A 103 -7.420 3.057 -7.012 1.00 0.51 C ATOM 1258 C SER A 103 -6.124 2.446 -7.553 1.00 0.48 C ATOM 1259 O SER A 103 -6.136 1.340 -8.101 1.00 0.58 O ATOM 1260 CB SER A 103 -8.114 3.894 -8.086 1.00 0.66 C ATOM 1261 OG SER A 103 -8.513 3.099 -9.188 1.00 1.46 O ATOM 0 H SER A 103 -7.298 4.864 -5.948 1.00 0.42 H new ATOM 0 HA SER A 103 -8.084 2.239 -6.732 1.00 0.51 H new ATOM 0 HB2 SER A 103 -8.986 4.387 -7.657 1.00 0.66 H new ATOM 0 HB3 SER A 103 -7.440 4.680 -8.428 1.00 0.66 H new ATOM 0 HG SER A 103 -9.091 3.626 -9.779 1.00 1.46 H new ATOM 1267 N TRP A 104 -5.008 3.161 -7.395 1.00 0.38 N ATOM 1268 CA TRP A 104 -3.696 2.625 -7.762 1.00 0.36 C ATOM 1269 C TRP A 104 -3.456 1.286 -7.064 1.00 0.34 C ATOM 1270 O TRP A 104 -2.999 0.319 -7.672 1.00 0.35 O ATOM 1271 CB TRP A 104 -2.584 3.620 -7.380 1.00 0.34 C ATOM 1272 CG TRP A 104 -1.221 2.989 -7.243 1.00 0.32 C ATOM 1273 CD1 TRP A 104 -0.303 2.771 -8.231 1.00 0.34 C ATOM 1274 CD2 TRP A 104 -0.631 2.489 -6.035 1.00 0.31 C ATOM 1275 NE1 TRP A 104 0.816 2.158 -7.710 1.00 0.34 N ATOM 1276 CE2 TRP A 104 0.636 1.977 -6.363 1.00 0.32 C ATOM 1277 CE3 TRP A 104 -1.061 2.418 -4.706 1.00 0.30 C ATOM 1278 CZ2 TRP A 104 1.480 1.411 -5.413 1.00 0.33 C ATOM 1279 CZ3 TRP A 104 -0.228 1.854 -3.762 1.00 0.31 C ATOM 1280 CH2 TRP A 104 1.031 1.356 -4.121 1.00 0.32 C ATOM 0 H TRP A 104 -4.986 4.108 -7.017 1.00 0.38 H new ATOM 0 HA TRP A 104 -3.677 2.471 -8.841 1.00 0.36 H new ATOM 0 HB2 TRP A 104 -2.536 4.404 -8.135 1.00 0.34 H new ATOM 0 HB3 TRP A 104 -2.848 4.101 -6.438 1.00 0.34 H new ATOM 0 HD1 TRP A 104 -0.435 3.040 -9.269 1.00 0.34 H new ATOM 0 HE1 TRP A 104 1.643 1.884 -8.240 1.00 0.34 H new ATOM 0 HE3 TRP A 104 -2.031 2.799 -4.423 1.00 0.30 H new ATOM 0 HZ2 TRP A 104 2.453 1.029 -5.685 1.00 0.33 H new ATOM 0 HZ3 TRP A 104 -0.551 1.796 -2.733 1.00 0.31 H new ATOM 0 HH2 TRP A 104 1.662 0.919 -3.361 1.00 0.32 H new ATOM 1291 N LEU A 105 -3.813 1.246 -5.794 1.00 0.34 N ATOM 1292 CA LEU A 105 -3.541 0.087 -4.964 1.00 0.32 C ATOM 1293 C LEU A 105 -4.405 -1.094 -5.383 1.00 0.31 C ATOM 1294 O LEU A 105 -3.903 -2.197 -5.583 1.00 0.34 O ATOM 1295 CB LEU A 105 -3.754 0.409 -3.487 1.00 0.33 C ATOM 1296 CG LEU A 105 -3.314 -0.692 -2.521 1.00 0.32 C ATOM 1297 CD1 LEU A 105 -1.857 -1.067 -2.757 1.00 0.34 C ATOM 1298 CD2 LEU A 105 -3.518 -0.248 -1.085 1.00 0.35 C ATOM 0 H LEU A 105 -4.294 2.006 -5.313 1.00 0.34 H new ATOM 0 HA LEU A 105 -2.495 -0.186 -5.105 1.00 0.32 H new ATOM 0 HB2 LEU A 105 -3.210 1.323 -3.247 1.00 0.33 H new ATOM 0 HB3 LEU A 105 -4.812 0.615 -3.323 1.00 0.33 H new ATOM 0 HG LEU A 105 -3.929 -1.573 -2.705 1.00 0.32 H new ATOM 0 HD11 LEU A 105 -1.566 -1.852 -2.059 1.00 0.34 H new ATOM 0 HD12 LEU A 105 -1.735 -1.427 -3.779 1.00 0.34 H new ATOM 0 HD13 LEU A 105 -1.226 -0.191 -2.603 1.00 0.34 H new ATOM 0 HD21 LEU A 105 -3.200 -1.043 -0.410 1.00 0.35 H new ATOM 0 HD22 LEU A 105 -2.928 0.648 -0.894 1.00 0.35 H new ATOM 0 HD23 LEU A 105 -4.573 -0.030 -0.918 1.00 0.35 H new ATOM 1310 N THR A 106 -5.701 -0.859 -5.516 1.00 0.35 N ATOM 1311 CA THR A 106 -6.625 -1.905 -5.924 1.00 0.37 C ATOM 1312 C THR A 106 -6.303 -2.459 -7.317 1.00 0.36 C ATOM 1313 O THR A 106 -6.434 -3.663 -7.555 1.00 0.47 O ATOM 1314 CB THR A 106 -8.079 -1.408 -5.851 1.00 0.47 C ATOM 1315 OG1 THR A 106 -8.164 -0.053 -6.312 1.00 0.50 O ATOM 1316 CG2 THR A 106 -8.596 -1.488 -4.424 1.00 0.59 C ATOM 0 H THR A 106 -6.137 0.048 -5.347 1.00 0.35 H new ATOM 0 HA THR A 106 -6.504 -2.730 -5.221 1.00 0.37 H new ATOM 0 HB THR A 106 -8.690 -2.046 -6.489 1.00 0.47 H new ATOM 0 HG1 THR A 106 -7.448 0.118 -6.959 1.00 0.50 H new ATOM 0 HG21 THR A 106 -9.626 -1.133 -4.390 1.00 0.59 H new ATOM 0 HG22 THR A 106 -8.557 -2.522 -4.080 1.00 0.59 H new ATOM 0 HG23 THR A 106 -7.976 -0.867 -3.777 1.00 0.59 H new ATOM 1324 N GLU A 107 -5.850 -1.597 -8.228 1.00 0.38 N ATOM 1325 CA GLU A 107 -5.440 -2.065 -9.550 1.00 0.39 C ATOM 1326 C GLU A 107 -4.146 -2.860 -9.443 1.00 0.33 C ATOM 1327 O GLU A 107 -3.970 -3.869 -10.126 1.00 0.43 O ATOM 1328 CB GLU A 107 -5.274 -0.915 -10.548 1.00 0.46 C ATOM 1329 CG GLU A 107 -6.593 -0.373 -11.071 1.00 0.53 C ATOM 1330 CD GLU A 107 -6.523 0.015 -12.538 1.00 0.83 C ATOM 1331 OE1 GLU A 107 -6.366 -0.878 -13.397 1.00 0.95 O ATOM 1332 OE2 GLU A 107 -6.592 1.230 -12.838 1.00 1.51 O ATOM 0 H GLU A 107 -5.759 -0.592 -8.079 1.00 0.38 H new ATOM 0 HA GLU A 107 -6.234 -2.708 -9.929 1.00 0.39 H new ATOM 0 HB2 GLU A 107 -4.722 -0.106 -10.070 1.00 0.46 H new ATOM 0 HB3 GLU A 107 -4.672 -1.258 -11.389 1.00 0.46 H new ATOM 0 HG2 GLU A 107 -7.371 -1.125 -10.934 1.00 0.53 H new ATOM 0 HG3 GLU A 107 -6.883 0.497 -10.482 1.00 0.53 H new ATOM 1339 N SER A 108 -3.250 -2.410 -8.577 1.00 0.35 N ATOM 1340 CA SER A 108 -2.025 -3.145 -8.296 1.00 0.36 C ATOM 1341 C SER A 108 -2.348 -4.530 -7.725 1.00 0.38 C ATOM 1342 O SER A 108 -1.739 -5.526 -8.117 1.00 0.46 O ATOM 1343 CB SER A 108 -1.141 -2.353 -7.330 1.00 0.45 C ATOM 1344 OG SER A 108 -0.746 -1.117 -7.902 1.00 0.88 O ATOM 0 H SER A 108 -3.348 -1.539 -8.056 1.00 0.35 H new ATOM 0 HA SER A 108 -1.479 -3.282 -9.229 1.00 0.36 H new ATOM 0 HB2 SER A 108 -1.682 -2.172 -6.401 1.00 0.45 H new ATOM 0 HB3 SER A 108 -0.258 -2.939 -7.075 1.00 0.45 H new ATOM 0 HG SER A 108 -1.446 -0.448 -7.751 1.00 0.88 H new ATOM 1350 N LEU A 109 -3.319 -4.590 -6.811 1.00 0.36 N ATOM 1351 CA LEU A 109 -3.808 -5.863 -6.270 1.00 0.43 C ATOM 1352 C LEU A 109 -4.432 -6.735 -7.357 1.00 0.52 C ATOM 1353 O LEU A 109 -4.562 -7.951 -7.199 1.00 0.75 O ATOM 1354 CB LEU A 109 -4.831 -5.614 -5.172 1.00 0.40 C ATOM 1355 CG LEU A 109 -4.278 -4.926 -3.927 1.00 0.47 C ATOM 1356 CD1 LEU A 109 -5.307 -4.948 -2.826 1.00 0.71 C ATOM 1357 CD2 LEU A 109 -3.000 -5.600 -3.460 1.00 0.86 C ATOM 0 H LEU A 109 -3.785 -3.768 -6.427 1.00 0.36 H new ATOM 0 HA LEU A 109 -2.949 -6.392 -5.858 1.00 0.43 H new ATOM 0 HB2 LEU A 109 -5.638 -5.005 -5.578 1.00 0.40 H new ATOM 0 HB3 LEU A 109 -5.268 -6.568 -4.879 1.00 0.40 H new ATOM 0 HG LEU A 109 -4.047 -3.891 -4.180 1.00 0.47 H new ATOM 0 HD11 LEU A 109 -4.904 -4.455 -1.941 1.00 0.71 H new ATOM 0 HD12 LEU A 109 -6.204 -4.424 -3.156 1.00 0.71 H new ATOM 0 HD13 LEU A 109 -5.558 -5.981 -2.583 1.00 0.71 H new ATOM 0 HD21 LEU A 109 -2.625 -5.092 -2.572 1.00 0.86 H new ATOM 0 HD22 LEU A 109 -3.205 -6.644 -3.222 1.00 0.86 H new ATOM 0 HD23 LEU A 109 -2.252 -5.548 -4.251 1.00 0.86 H new ATOM 1369 N GLY A 110 -4.794 -6.104 -8.466 1.00 0.48 N ATOM 1370 CA GLY A 110 -5.415 -6.818 -9.561 1.00 0.62 C ATOM 1371 C GLY A 110 -4.380 -7.370 -10.521 1.00 0.67 C ATOM 1372 O GLY A 110 -4.530 -8.473 -11.048 1.00 0.96 O ATOM 0 H GLY A 110 -4.667 -5.105 -8.626 1.00 0.48 H new ATOM 0 HA2 GLY A 110 -6.020 -7.635 -9.168 1.00 0.62 H new ATOM 0 HA3 GLY A 110 -6.090 -6.150 -10.096 1.00 0.62 H new ATOM 1376 N ALA A 111 -3.321 -6.601 -10.745 1.00 0.47 N ATOM 1377 CA ALA A 111 -2.237 -7.016 -11.629 1.00 0.53 C ATOM 1378 C ALA A 111 -1.240 -7.915 -10.905 1.00 0.59 C ATOM 1379 O ALA A 111 -0.590 -8.759 -11.521 1.00 0.71 O ATOM 1380 CB ALA A 111 -1.531 -5.794 -12.202 1.00 0.48 C ATOM 0 H ALA A 111 -3.189 -5.681 -10.324 1.00 0.47 H new ATOM 0 HA ALA A 111 -2.671 -7.593 -12.446 1.00 0.53 H new ATOM 0 HB1 ALA A 111 -0.724 -6.115 -12.860 1.00 0.48 H new ATOM 0 HB2 ALA A 111 -2.244 -5.194 -12.768 1.00 0.48 H new ATOM 0 HB3 ALA A 111 -1.120 -5.197 -11.388 1.00 0.48 H new ATOM 1386 N GLY A 112 -1.116 -7.727 -9.601 1.00 0.53 N ATOM 1387 CA GLY A 112 -0.221 -8.557 -8.815 1.00 0.60 C ATOM 1388 C GLY A 112 1.105 -7.879 -8.538 1.00 0.58 C ATOM 1389 O GLY A 112 2.056 -8.521 -8.090 1.00 0.66 O ATOM 0 H GLY A 112 -1.618 -7.015 -9.070 1.00 0.53 H new ATOM 0 HA2 GLY A 112 -0.701 -8.809 -7.869 1.00 0.60 H new ATOM 0 HA3 GLY A 112 -0.043 -9.494 -9.342 1.00 0.60 H new ATOM 1393 N GLN A 113 1.165 -6.582 -8.808 1.00 0.52 N ATOM 1394 CA GLN A 113 2.372 -5.797 -8.588 1.00 0.54 C ATOM 1395 C GLN A 113 2.022 -4.313 -8.640 1.00 0.50 C ATOM 1396 O GLN A 113 0.971 -3.950 -9.170 1.00 0.48 O ATOM 1397 CB GLN A 113 3.431 -6.118 -9.647 1.00 0.60 C ATOM 1398 CG GLN A 113 3.047 -5.678 -11.051 1.00 0.61 C ATOM 1399 CD GLN A 113 4.190 -5.826 -12.030 1.00 0.81 C ATOM 1400 OE1 GLN A 113 4.345 -6.868 -12.665 1.00 1.45 O ATOM 1401 NE2 GLN A 113 4.990 -4.782 -12.165 1.00 0.87 N ATOM 0 H GLN A 113 0.382 -6.047 -9.184 1.00 0.52 H new ATOM 0 HA GLN A 113 2.781 -6.047 -7.609 1.00 0.54 H new ATOM 0 HB2 GLN A 113 4.368 -5.636 -9.369 1.00 0.60 H new ATOM 0 HB3 GLN A 113 3.614 -7.192 -9.650 1.00 0.60 H new ATOM 0 HG2 GLN A 113 2.198 -6.268 -11.395 1.00 0.61 H new ATOM 0 HG3 GLN A 113 2.723 -4.637 -11.028 1.00 0.61 H new ATOM 0 HE21 GLN A 113 4.823 -3.938 -11.617 1.00 0.87 H new ATOM 0 HE22 GLN A 113 5.774 -4.821 -12.817 1.00 0.87 H new ATOM 1410 N PRO A 114 2.883 -3.443 -8.084 1.00 0.53 N ATOM 1411 CA PRO A 114 2.659 -1.994 -8.101 1.00 0.52 C ATOM 1412 C PRO A 114 2.639 -1.435 -9.518 1.00 0.54 C ATOM 1413 O PRO A 114 3.668 -1.396 -10.199 1.00 0.62 O ATOM 1414 CB PRO A 114 3.847 -1.425 -7.317 1.00 0.57 C ATOM 1415 CG PRO A 114 4.883 -2.495 -7.347 1.00 0.68 C ATOM 1416 CD PRO A 114 4.133 -3.795 -7.387 1.00 0.60 C ATOM 0 HA PRO A 114 1.693 -1.730 -7.671 1.00 0.52 H new ATOM 0 HB2 PRO A 114 4.216 -0.506 -7.773 1.00 0.57 H new ATOM 0 HB3 PRO A 114 3.563 -1.181 -6.293 1.00 0.57 H new ATOM 0 HG2 PRO A 114 5.528 -2.389 -8.219 1.00 0.68 H new ATOM 0 HG3 PRO A 114 5.525 -2.442 -6.468 1.00 0.68 H new ATOM 0 HD2 PRO A 114 4.689 -4.564 -7.922 1.00 0.60 H new ATOM 0 HD3 PRO A 114 3.941 -4.180 -6.385 1.00 0.60 H new ATOM 1424 N VAL A 115 1.463 -1.019 -9.958 1.00 0.51 N ATOM 1425 CA VAL A 115 1.286 -0.486 -11.301 1.00 0.53 C ATOM 1426 C VAL A 115 1.839 0.935 -11.404 1.00 0.49 C ATOM 1427 O VAL A 115 1.933 1.651 -10.402 1.00 0.45 O ATOM 1428 CB VAL A 115 -0.204 -0.489 -11.718 1.00 0.54 C ATOM 1429 CG1 VAL A 115 -0.750 -1.909 -11.744 1.00 0.65 C ATOM 1430 CG2 VAL A 115 -1.035 0.386 -10.791 1.00 0.47 C ATOM 0 H VAL A 115 0.609 -1.040 -9.400 1.00 0.51 H new ATOM 0 HA VAL A 115 1.841 -1.136 -11.978 1.00 0.53 H new ATOM 0 HB VAL A 115 -0.272 -0.073 -12.723 1.00 0.54 H new ATOM 0 HG11 VAL A 115 -1.799 -1.890 -12.039 1.00 0.65 H new ATOM 0 HG12 VAL A 115 -0.182 -2.504 -12.459 1.00 0.65 H new ATOM 0 HG13 VAL A 115 -0.660 -2.351 -10.752 1.00 0.65 H new ATOM 0 HG21 VAL A 115 -2.078 0.365 -11.108 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.958 0.010 -9.771 1.00 0.47 H new ATOM 0 HG23 VAL A 115 -0.665 1.411 -10.829 1.00 0.47 H new ATOM 1440 N PRO A 116 2.237 1.349 -12.620 1.00 0.56 N ATOM 1441 CA PRO A 116 2.735 2.702 -12.875 1.00 0.58 C ATOM 1442 C PRO A 116 1.633 3.743 -12.717 1.00 0.48 C ATOM 1443 O PRO A 116 0.635 3.730 -13.444 1.00 0.55 O ATOM 1444 CB PRO A 116 3.223 2.645 -14.326 1.00 0.72 C ATOM 1445 CG PRO A 116 2.462 1.524 -14.940 1.00 0.85 C ATOM 1446 CD PRO A 116 2.240 0.523 -13.842 1.00 0.69 C ATOM 0 HA PRO A 116 3.516 2.994 -12.173 1.00 0.58 H new ATOM 0 HB2 PRO A 116 3.031 3.584 -14.845 1.00 0.72 H new ATOM 0 HB3 PRO A 116 4.297 2.467 -14.375 1.00 0.72 H new ATOM 0 HG2 PRO A 116 1.513 1.873 -15.347 1.00 0.85 H new ATOM 0 HG3 PRO A 116 3.019 1.080 -15.765 1.00 0.85 H new ATOM 0 HD2 PRO A 116 1.298 -0.010 -13.969 1.00 0.69 H new ATOM 0 HD3 PRO A 116 3.030 -0.228 -13.817 1.00 0.69 H new ATOM 1454 N VAL A 117 1.812 4.638 -11.757 1.00 0.46 N ATOM 1455 CA VAL A 117 0.808 5.642 -11.461 1.00 0.44 C ATOM 1456 C VAL A 117 0.877 6.805 -12.454 1.00 0.49 C ATOM 1457 O VAL A 117 1.890 7.498 -12.563 1.00 0.61 O ATOM 1458 CB VAL A 117 0.933 6.161 -10.005 1.00 0.58 C ATOM 1459 CG1 VAL A 117 2.337 6.676 -9.711 1.00 0.99 C ATOM 1460 CG2 VAL A 117 -0.105 7.239 -9.727 1.00 1.25 C ATOM 0 H VAL A 117 2.645 4.687 -11.171 1.00 0.46 H new ATOM 0 HA VAL A 117 -0.166 5.163 -11.564 1.00 0.44 H new ATOM 0 HB VAL A 117 0.745 5.319 -9.338 1.00 0.58 H new ATOM 0 HG11 VAL A 117 2.386 7.031 -8.682 1.00 0.99 H new ATOM 0 HG12 VAL A 117 3.057 5.870 -9.851 1.00 0.99 H new ATOM 0 HG13 VAL A 117 2.573 7.496 -10.389 1.00 0.99 H new ATOM 0 HG21 VAL A 117 0.000 7.589 -8.700 1.00 1.25 H new ATOM 0 HG22 VAL A 117 0.045 8.073 -10.412 1.00 1.25 H new ATOM 0 HG23 VAL A 117 -1.104 6.827 -9.869 1.00 1.25 H new ATOM 1470 N GLU A 118 -0.197 6.977 -13.208 1.00 0.57 N ATOM 1471 CA GLU A 118 -0.323 8.107 -14.116 1.00 0.70 C ATOM 1472 C GLU A 118 -0.829 9.326 -13.358 1.00 0.71 C ATOM 1473 O GLU A 118 -1.263 9.210 -12.206 1.00 0.66 O ATOM 1474 CB GLU A 118 -1.292 7.764 -15.249 1.00 0.84 C ATOM 1475 CG GLU A 118 -0.812 6.639 -16.149 1.00 1.34 C ATOM 1476 CD GLU A 118 -1.921 6.087 -17.019 1.00 1.95 C ATOM 1477 OE1 GLU A 118 -2.246 6.710 -18.053 1.00 2.31 O ATOM 1478 OE2 GLU A 118 -2.489 5.034 -16.662 1.00 2.63 O ATOM 0 H GLU A 118 -0.998 6.345 -13.209 1.00 0.57 H new ATOM 0 HA GLU A 118 0.656 8.330 -14.541 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -2.255 7.487 -14.819 1.00 0.84 H new ATOM 0 HB3 GLU A 118 -1.458 8.655 -15.854 1.00 0.84 H new ATOM 0 HG2 GLU A 118 -0.003 7.003 -16.783 1.00 1.34 H new ATOM 0 HG3 GLU A 118 -0.400 5.837 -15.536 1.00 1.34 H new ATOM 1485 N CYS A 119 -0.796 10.483 -14.005 1.00 0.84 N ATOM 1486 CA CYS A 119 -1.305 11.713 -13.406 1.00 0.88 C ATOM 1487 C CYS A 119 -2.796 11.587 -13.098 1.00 0.79 C ATOM 1488 O CYS A 119 -3.334 12.319 -12.272 1.00 0.76 O ATOM 1489 CB CYS A 119 -1.048 12.903 -14.332 1.00 1.11 C ATOM 1490 SG CYS A 119 0.690 13.125 -14.780 1.00 2.07 S ATOM 0 H CYS A 119 -0.422 10.597 -14.947 1.00 0.84 H new ATOM 0 HA CYS A 119 -0.776 11.882 -12.468 1.00 0.88 H new ATOM 0 HB2 CYS A 119 -1.634 12.775 -15.242 1.00 1.11 H new ATOM 0 HB3 CYS A 119 -1.407 13.811 -13.848 1.00 1.11 H new ATOM 0 HG CYS A 119 0.807 14.154 -15.566 1.00 2.07 H new ATOM 1496 N ARG A 120 -3.456 10.649 -13.771 1.00 0.82 N ATOM 1497 CA ARG A 120 -4.863 10.357 -13.518 1.00 0.82 C ATOM 1498 C ARG A 120 -5.088 9.971 -12.055 1.00 0.68 C ATOM 1499 O ARG A 120 -6.096 10.334 -11.456 1.00 0.77 O ATOM 1500 CB ARG A 120 -5.346 9.218 -14.417 1.00 0.98 C ATOM 1501 CG ARG A 120 -5.137 9.464 -15.902 1.00 1.58 C ATOM 1502 CD ARG A 120 -5.857 10.711 -16.386 1.00 2.22 C ATOM 1503 NE ARG A 120 -5.741 10.871 -17.836 1.00 2.86 N ATOM 1504 CZ ARG A 120 -5.798 12.044 -18.466 1.00 3.77 C ATOM 1505 NH1 ARG A 120 -5.937 13.170 -17.776 1.00 4.23 N ATOM 1506 NH2 ARG A 120 -5.700 12.087 -19.788 1.00 4.59 N ATOM 0 H ARG A 120 -3.035 10.074 -14.501 1.00 0.82 H new ATOM 0 HA ARG A 120 -5.431 11.260 -13.739 1.00 0.82 H new ATOM 0 HB2 ARG A 120 -4.826 8.302 -14.135 1.00 0.98 H new ATOM 0 HB3 ARG A 120 -6.407 9.051 -14.234 1.00 0.98 H new ATOM 0 HG2 ARG A 120 -4.071 9.561 -16.106 1.00 1.58 H new ATOM 0 HG3 ARG A 120 -5.492 8.601 -16.465 1.00 1.58 H new ATOM 0 HD2 ARG A 120 -6.910 10.655 -16.109 1.00 2.22 H new ATOM 0 HD3 ARG A 120 -5.442 11.588 -15.888 1.00 2.22 H new ATOM 0 HE ARG A 120 -5.608 10.032 -18.400 1.00 2.86 H new ATOM 0 HH11 ARG A 120 -6.001 13.140 -16.758 1.00 4.23 H new ATOM 0 HH12 ARG A 120 -5.980 14.065 -18.264 1.00 4.23 H new ATOM 0 HH21 ARG A 120 -5.581 11.224 -20.319 1.00 4.59 H new ATOM 0 HH22 ARG A 120 -5.743 12.983 -20.274 1.00 4.59 H new ATOM 1520 N HIS A 121 -4.144 9.229 -11.487 1.00 0.57 N ATOM 1521 CA HIS A 121 -4.249 8.809 -10.094 1.00 0.56 C ATOM 1522 C HIS A 121 -3.435 9.720 -9.197 1.00 0.50 C ATOM 1523 O HIS A 121 -3.794 9.944 -8.050 1.00 0.63 O ATOM 1524 CB HIS A 121 -3.818 7.354 -9.924 1.00 0.66 C ATOM 1525 CG HIS A 121 -4.819 6.393 -10.472 1.00 0.72 C ATOM 1526 ND1 HIS A 121 -6.064 6.200 -9.907 1.00 1.34 N ATOM 1527 CD2 HIS A 121 -4.775 5.592 -11.563 1.00 1.33 C ATOM 1528 CE1 HIS A 121 -6.738 5.328 -10.632 1.00 1.34 C ATOM 1529 NE2 HIS A 121 -5.981 4.945 -11.638 1.00 1.22 N ATOM 0 H HIS A 121 -3.303 8.907 -11.966 1.00 0.57 H new ATOM 0 HA HIS A 121 -5.295 8.884 -9.798 1.00 0.56 H new ATOM 0 HB2 HIS A 121 -2.861 7.201 -10.424 1.00 0.66 H new ATOM 0 HB3 HIS A 121 -3.662 7.146 -8.865 1.00 0.66 H new ATOM 0 HD1 HIS A 121 -6.408 6.659 -9.063 1.00 1.34 H new ATOM 0 HD2 HIS A 121 -3.945 5.483 -12.246 1.00 1.33 H new ATOM 0 HE1 HIS A 121 -7.743 4.986 -10.433 1.00 1.34 H new ATOM 1538 N ARG A 122 -2.355 10.265 -9.741 1.00 0.49 N ATOM 1539 CA ARG A 122 -1.543 11.262 -9.046 1.00 0.50 C ATOM 1540 C ARG A 122 -2.227 12.627 -9.138 1.00 0.62 C ATOM 1541 O ARG A 122 -1.566 13.655 -9.231 1.00 1.05 O ATOM 1542 CB ARG A 122 -0.136 11.343 -9.650 1.00 0.64 C ATOM 1543 CG ARG A 122 0.894 11.967 -8.714 1.00 0.75 C ATOM 1544 CD ARG A 122 2.050 12.581 -9.487 1.00 0.95 C ATOM 1545 NE ARG A 122 1.609 13.717 -10.292 1.00 1.67 N ATOM 1546 CZ ARG A 122 2.363 14.328 -11.206 1.00 2.32 C ATOM 1547 NH1 ARG A 122 3.618 13.936 -11.412 1.00 2.38 N ATOM 1548 NH2 ARG A 122 1.865 15.348 -11.897 1.00 3.30 N ATOM 0 H ARG A 122 -2.016 10.031 -10.674 1.00 0.49 H new ATOM 0 HA ARG A 122 -1.447 10.966 -8.001 1.00 0.50 H new ATOM 0 HB2 ARG A 122 0.192 10.340 -9.921 1.00 0.64 H new ATOM 0 HB3 ARG A 122 -0.178 11.925 -10.571 1.00 0.64 H new ATOM 0 HG2 ARG A 122 0.416 12.733 -8.104 1.00 0.75 H new ATOM 0 HG3 ARG A 122 1.274 11.207 -8.031 1.00 0.75 H new ATOM 0 HD2 ARG A 122 2.824 12.905 -8.791 1.00 0.95 H new ATOM 0 HD3 ARG A 122 2.498 11.827 -10.134 1.00 0.95 H new ATOM 0 HE ARG A 122 0.662 14.066 -10.145 1.00 1.67 H new ATOM 0 HH11 ARG A 122 4.007 13.165 -10.869 1.00 2.38 H new ATOM 0 HH12 ARG A 122 4.191 14.407 -12.112 1.00 2.38 H new ATOM 0 HH21 ARG A 122 0.909 15.661 -11.727 1.00 3.30 H new ATOM 0 HH22 ARG A 122 2.439 15.818 -12.597 1.00 3.30 H new ATOM 1562 N LEU A 123 -3.560 12.601 -9.170 1.00 0.57 N ATOM 1563 CA LEU A 123 -4.397 13.735 -9.577 1.00 0.82 C ATOM 1564 C LEU A 123 -4.279 14.989 -8.696 1.00 0.73 C ATOM 1565 O LEU A 123 -5.138 15.870 -8.786 1.00 1.31 O ATOM 1566 CB LEU A 123 -5.871 13.295 -9.635 1.00 1.23 C ATOM 1567 CG LEU A 123 -6.600 13.145 -8.281 1.00 0.98 C ATOM 1568 CD1 LEU A 123 -8.081 12.891 -8.506 1.00 1.12 C ATOM 1569 CD2 LEU A 123 -6.007 12.020 -7.442 1.00 1.47 C ATOM 0 H LEU A 123 -4.100 11.776 -8.909 1.00 0.57 H new ATOM 0 HA LEU A 123 -4.023 14.028 -10.558 1.00 0.82 H new ATOM 0 HB2 LEU A 123 -6.419 14.018 -10.239 1.00 1.23 H new ATOM 0 HB3 LEU A 123 -5.921 12.340 -10.157 1.00 1.23 H new ATOM 0 HG LEU A 123 -6.469 14.079 -7.734 1.00 0.98 H new ATOM 0 HD11 LEU A 123 -8.583 12.787 -7.544 1.00 1.12 H new ATOM 0 HD12 LEU A 123 -8.515 13.728 -9.053 1.00 1.12 H new ATOM 0 HD13 LEU A 123 -8.210 11.975 -9.083 1.00 1.12 H new ATOM 0 HD21 LEU A 123 -6.547 11.947 -6.498 1.00 1.47 H new ATOM 0 HD22 LEU A 123 -6.093 11.078 -7.983 1.00 1.47 H new ATOM 0 HD23 LEU A 123 -4.956 12.229 -7.243 1.00 1.47 H new ATOM 1581 N GLU A 124 -3.247 15.096 -7.867 1.00 0.59 N ATOM 1582 CA GLU A 124 -3.027 16.323 -7.108 1.00 0.63 C ATOM 1583 C GLU A 124 -2.854 17.514 -8.056 1.00 0.79 C ATOM 1584 O GLU A 124 -1.931 17.488 -8.899 1.00 1.47 O ATOM 1585 CB GLU A 124 -1.822 16.212 -6.157 1.00 0.93 C ATOM 1586 CG GLU A 124 -0.490 15.917 -6.827 1.00 1.70 C ATOM 1587 CD GLU A 124 0.676 16.556 -6.091 1.00 2.39 C ATOM 1588 OE1 GLU A 124 0.887 16.226 -4.901 1.00 2.69 O ATOM 1589 OE2 GLU A 124 1.400 17.376 -6.697 1.00 3.01 O ATOM 1590 OXT GLU A 124 -3.655 18.470 -7.964 1.00 1.11 O ATOM 0 H GLU A 124 -2.559 14.361 -7.704 1.00 0.59 H new ATOM 0 HA GLU A 124 -3.911 16.484 -6.490 1.00 0.63 H new ATOM 0 HB2 GLU A 124 -1.732 17.145 -5.601 1.00 0.93 H new ATOM 0 HB3 GLU A 124 -2.026 15.426 -5.429 1.00 0.93 H new ATOM 0 HG2 GLU A 124 -0.340 14.838 -6.875 1.00 1.70 H new ATOM 0 HG3 GLU A 124 -0.513 16.282 -7.854 1.00 1.70 H new