USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=21 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 64 SER OG : rot 150:sc= 0 USER MOD Set 1.2: A 94 CYS SG : rot 180:sc= -1.27 USER MOD Single : A 25 THR OG1 : rot 51:sc= 0.922 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 175:sc= -0.162 (180deg=-0.184) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 46:sc= 1.18 USER MOD Single : A 53 SER OG : rot 94:sc= 0.904 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 67 THR OG1 : rot -50:sc= 0.556 USER MOD Single : A 68 HIS : no HD1:sc= -4.72! C(o=-4.7!,f=-6.9!) USER MOD Single : A 71 MET CE :methyl -149:sc= -1.68 (180deg=-4.12!) USER MOD Single : A 74 THR OG1 : rot 91:sc= 0.0871 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -2.29! K(o=-2.3!,f=-1.4) USER MOD Single : A 87 MET CE :methyl 153:sc= -2.42! (180deg=-4.66!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 103 SER OG : rot 67:sc= 1.25 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0574 USER MOD Single : A 108 SER OG : rot -1:sc= -0.879 USER MOD Single : A 113 GLN : amide:sc= -0.0182 K(o=-0.018,f=-2.4!) USER MOD Single : A 119 CYS SG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 1.03 K(o=1.3,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 63 N THR A 25 3.975 -6.775 5.545 1.00 1.09 N ATOM 64 CA THR A 25 4.371 -5.721 4.612 1.00 0.85 C ATOM 65 C THR A 25 5.587 -6.169 3.793 1.00 1.01 C ATOM 66 O THR A 25 6.695 -5.665 3.963 1.00 1.99 O ATOM 67 CB THR A 25 4.639 -4.385 5.357 1.00 0.70 C ATOM 68 OG1 THR A 25 5.836 -4.443 6.141 1.00 0.83 O ATOM 69 CG2 THR A 25 3.482 -4.061 6.280 1.00 0.96 C ATOM 0 HA THR A 25 3.548 -5.540 3.921 1.00 0.85 H new ATOM 0 HB THR A 25 4.752 -3.613 4.596 1.00 0.70 H new ATOM 0 HG1 THR A 25 6.576 -4.764 5.585 1.00 0.83 H new ATOM 0 HG21 THR A 25 3.681 -3.122 6.797 1.00 0.96 H new ATOM 0 HG22 THR A 25 2.566 -3.967 5.696 1.00 0.96 H new ATOM 0 HG23 THR A 25 3.365 -4.861 7.012 1.00 0.96 H new ATOM 77 N ARG A 26 5.351 -7.119 2.893 1.00 0.78 N ATOM 78 CA ARG A 26 6.426 -7.884 2.264 1.00 0.81 C ATOM 79 C ARG A 26 7.420 -7.012 1.489 1.00 0.79 C ATOM 80 O ARG A 26 8.627 -7.242 1.552 1.00 0.95 O ATOM 81 CB ARG A 26 5.840 -8.950 1.339 1.00 1.04 C ATOM 82 CG ARG A 26 6.870 -9.949 0.836 1.00 1.15 C ATOM 83 CD ARG A 26 6.921 -9.990 -0.679 1.00 1.19 C ATOM 84 NE ARG A 26 5.685 -10.512 -1.263 1.00 1.65 N ATOM 85 CZ ARG A 26 5.435 -10.556 -2.571 1.00 1.90 C ATOM 86 NH1 ARG A 26 6.334 -10.121 -3.448 1.00 2.06 N ATOM 87 NH2 ARG A 26 4.283 -11.048 -3.005 1.00 2.51 N ATOM 0 H ARG A 26 4.416 -7.380 2.580 1.00 0.78 H new ATOM 0 HA ARG A 26 6.985 -8.353 3.073 1.00 0.81 H new ATOM 0 HB2 ARG A 26 5.053 -9.487 1.869 1.00 1.04 H new ATOM 0 HB3 ARG A 26 5.372 -8.461 0.484 1.00 1.04 H new ATOM 0 HG2 ARG A 26 7.853 -9.685 1.226 1.00 1.15 H new ATOM 0 HG3 ARG A 26 6.631 -10.941 1.219 1.00 1.15 H new ATOM 0 HD2 ARG A 26 7.105 -8.986 -1.061 1.00 1.19 H new ATOM 0 HD3 ARG A 26 7.760 -10.610 -0.995 1.00 1.19 H new ATOM 0 HE ARG A 26 4.969 -10.865 -0.628 1.00 1.65 H new ATOM 0 HH11 ARG A 26 7.226 -9.749 -3.122 1.00 2.06 H new ATOM 0 HH12 ARG A 26 6.132 -10.159 -4.447 1.00 2.06 H new ATOM 0 HH21 ARG A 26 3.592 -11.391 -2.338 1.00 2.51 H new ATOM 0 HH22 ARG A 26 4.088 -11.083 -4.006 1.00 2.51 H new ATOM 101 N PHE A 27 6.922 -6.026 0.758 1.00 0.72 N ATOM 102 CA PHE A 27 7.786 -5.211 -0.093 1.00 0.77 C ATOM 103 C PHE A 27 7.776 -3.752 0.358 1.00 0.71 C ATOM 104 O PHE A 27 6.927 -2.965 -0.060 1.00 0.72 O ATOM 105 CB PHE A 27 7.331 -5.335 -1.550 1.00 0.88 C ATOM 106 CG PHE A 27 8.239 -4.671 -2.547 1.00 0.78 C ATOM 107 CD1 PHE A 27 9.437 -5.263 -2.915 1.00 0.89 C ATOM 108 CD2 PHE A 27 7.886 -3.462 -3.125 1.00 0.96 C ATOM 109 CE1 PHE A 27 10.266 -4.661 -3.842 1.00 1.25 C ATOM 110 CE2 PHE A 27 8.714 -2.856 -4.050 1.00 1.35 C ATOM 111 CZ PHE A 27 9.904 -3.455 -4.408 1.00 1.51 C ATOM 0 H PHE A 27 5.935 -5.770 0.734 1.00 0.72 H new ATOM 0 HA PHE A 27 8.811 -5.573 -0.009 1.00 0.77 H new ATOM 0 HB2 PHE A 27 7.247 -6.392 -1.802 1.00 0.88 H new ATOM 0 HB3 PHE A 27 6.334 -4.905 -1.643 1.00 0.88 H new ATOM 0 HD1 PHE A 27 9.726 -6.205 -2.472 1.00 0.89 H new ATOM 0 HD2 PHE A 27 6.955 -2.989 -2.850 1.00 0.96 H new ATOM 0 HE1 PHE A 27 11.196 -5.133 -4.123 1.00 1.25 H new ATOM 0 HE2 PHE A 27 8.430 -1.913 -4.493 1.00 1.35 H new ATOM 0 HZ PHE A 27 10.552 -2.981 -5.130 1.00 1.51 H new ATOM 121 N PRO A 28 8.738 -3.365 1.210 1.00 0.72 N ATOM 122 CA PRO A 28 8.801 -2.026 1.785 1.00 0.81 C ATOM 123 C PRO A 28 9.360 -0.990 0.809 1.00 1.01 C ATOM 124 O PRO A 28 9.477 0.189 1.145 1.00 2.02 O ATOM 125 CB PRO A 28 9.716 -2.188 3.009 1.00 0.91 C ATOM 126 CG PRO A 28 10.123 -3.630 3.047 1.00 1.03 C ATOM 127 CD PRO A 28 9.849 -4.195 1.684 1.00 0.76 C ATOM 0 HA PRO A 28 7.809 -1.652 2.040 1.00 0.81 H new ATOM 0 HB2 PRO A 28 10.589 -1.540 2.929 1.00 0.91 H new ATOM 0 HB3 PRO A 28 9.194 -1.908 3.924 1.00 0.91 H new ATOM 0 HG2 PRO A 28 11.179 -3.727 3.300 1.00 1.03 H new ATOM 0 HG3 PRO A 28 9.561 -4.170 3.809 1.00 1.03 H new ATOM 0 HD2 PRO A 28 10.719 -4.119 1.031 1.00 0.76 H new ATOM 0 HD3 PRO A 28 9.576 -5.249 1.730 1.00 0.76 H new ATOM 135 N GLY A 29 9.698 -1.432 -0.403 1.00 0.67 N ATOM 136 CA GLY A 29 10.081 -0.505 -1.460 1.00 0.68 C ATOM 137 C GLY A 29 8.900 0.342 -1.892 1.00 0.65 C ATOM 138 O GLY A 29 9.052 1.386 -2.522 1.00 0.86 O ATOM 0 H GLY A 29 9.714 -2.416 -0.672 1.00 0.67 H new ATOM 0 HA2 GLY A 29 10.887 0.140 -1.109 1.00 0.68 H new ATOM 0 HA3 GLY A 29 10.467 -1.061 -2.315 1.00 0.68 H new ATOM 142 N VAL A 30 7.719 -0.123 -1.519 1.00 0.69 N ATOM 143 CA VAL A 30 6.490 0.614 -1.740 1.00 0.68 C ATOM 144 C VAL A 30 5.773 0.794 -0.411 1.00 0.70 C ATOM 145 O VAL A 30 5.228 -0.156 0.148 1.00 0.75 O ATOM 146 CB VAL A 30 5.548 -0.072 -2.760 1.00 0.70 C ATOM 147 CG1 VAL A 30 4.212 0.652 -2.825 1.00 1.01 C ATOM 148 CG2 VAL A 30 6.180 -0.106 -4.146 1.00 1.15 C ATOM 0 H VAL A 30 7.587 -1.022 -1.055 1.00 0.69 H new ATOM 0 HA VAL A 30 6.759 1.580 -2.167 1.00 0.68 H new ATOM 0 HB VAL A 30 5.383 -1.096 -2.425 1.00 0.70 H new ATOM 0 HG11 VAL A 30 3.564 0.155 -3.547 1.00 1.01 H new ATOM 0 HG12 VAL A 30 3.741 0.635 -1.842 1.00 1.01 H new ATOM 0 HG13 VAL A 30 4.373 1.685 -3.132 1.00 1.01 H new ATOM 0 HG21 VAL A 30 5.499 -0.593 -4.844 1.00 1.15 H new ATOM 0 HG22 VAL A 30 6.377 0.912 -4.481 1.00 1.15 H new ATOM 0 HG23 VAL A 30 7.117 -0.662 -4.105 1.00 1.15 H new ATOM 158 N ALA A 31 5.789 2.019 0.091 1.00 0.71 N ATOM 159 CA ALA A 31 5.206 2.326 1.385 1.00 0.73 C ATOM 160 C ALA A 31 3.893 3.039 1.193 1.00 0.65 C ATOM 161 O ALA A 31 3.858 4.239 0.906 1.00 0.76 O ATOM 162 CB ALA A 31 6.145 3.169 2.223 1.00 0.84 C ATOM 0 H ALA A 31 6.203 2.821 -0.383 1.00 0.71 H new ATOM 0 HA ALA A 31 5.035 1.390 1.917 1.00 0.73 H new ATOM 0 HB1 ALA A 31 5.681 3.383 3.186 1.00 0.84 H new ATOM 0 HB2 ALA A 31 7.077 2.627 2.382 1.00 0.84 H new ATOM 0 HB3 ALA A 31 6.354 4.105 1.705 1.00 0.84 H new ATOM 168 N ILE A 32 2.821 2.297 1.336 1.00 0.57 N ATOM 169 CA ILE A 32 1.502 2.819 1.073 1.00 0.48 C ATOM 170 C ILE A 32 0.854 3.315 2.338 1.00 0.44 C ATOM 171 O ILE A 32 0.585 2.536 3.248 1.00 0.54 O ATOM 172 CB ILE A 32 0.605 1.733 0.484 1.00 0.49 C ATOM 173 CG1 ILE A 32 1.391 0.925 -0.546 1.00 0.59 C ATOM 174 CG2 ILE A 32 -0.631 2.352 -0.138 1.00 0.49 C ATOM 175 CD1 ILE A 32 0.636 -0.244 -1.119 1.00 0.67 C ATOM 0 H ILE A 32 2.838 1.322 1.636 1.00 0.57 H new ATOM 0 HA ILE A 32 1.617 3.642 0.368 1.00 0.48 H new ATOM 0 HB ILE A 32 0.279 1.062 1.279 1.00 0.49 H new ATOM 0 HG12 ILE A 32 1.688 1.586 -1.360 1.00 0.59 H new ATOM 0 HG13 ILE A 32 2.307 0.559 -0.082 1.00 0.59 H new ATOM 0 HG21 ILE A 32 -1.261 1.566 -0.554 1.00 0.49 H new ATOM 0 HG22 ILE A 32 -1.187 2.898 0.624 1.00 0.49 H new ATOM 0 HG23 ILE A 32 -0.334 3.038 -0.932 1.00 0.49 H new ATOM 0 HD11 ILE A 32 1.265 -0.764 -1.842 1.00 0.67 H new ATOM 0 HD12 ILE A 32 0.362 -0.929 -0.317 1.00 0.67 H new ATOM 0 HD13 ILE A 32 -0.267 0.113 -1.614 1.00 0.67 H new ATOM 187 N TYR A 33 0.582 4.599 2.386 1.00 0.38 N ATOM 188 CA TYR A 33 -0.098 5.150 3.528 1.00 0.38 C ATOM 189 C TYR A 33 -1.553 5.376 3.193 1.00 0.34 C ATOM 190 O TYR A 33 -1.905 5.874 2.122 1.00 0.41 O ATOM 191 CB TYR A 33 0.548 6.465 3.983 1.00 0.54 C ATOM 192 CG TYR A 33 -0.061 7.026 5.254 1.00 0.58 C ATOM 193 CD1 TYR A 33 0.415 6.653 6.503 1.00 1.01 C ATOM 194 CD2 TYR A 33 -1.107 7.938 5.200 1.00 0.56 C ATOM 195 CE1 TYR A 33 -0.134 7.174 7.660 1.00 1.18 C ATOM 196 CE2 TYR A 33 -1.658 8.465 6.352 1.00 0.64 C ATOM 197 CZ TYR A 33 -1.187 8.037 7.588 1.00 0.90 C ATOM 198 OH TYR A 33 -1.713 8.602 8.728 1.00 1.11 O ATOM 0 H TYR A 33 0.819 5.271 1.656 1.00 0.38 H new ATOM 0 HA TYR A 33 -0.018 4.438 4.349 1.00 0.38 H new ATOM 0 HB2 TYR A 33 1.614 6.302 4.141 1.00 0.54 H new ATOM 0 HB3 TYR A 33 0.453 7.203 3.186 1.00 0.54 H new ATOM 0 HD1 TYR A 33 1.227 5.945 6.572 1.00 1.01 H new ATOM 0 HD2 TYR A 33 -1.497 8.241 4.239 1.00 0.56 H new ATOM 0 HE1 TYR A 33 0.272 6.897 8.622 1.00 1.18 H new ATOM 0 HE2 TYR A 33 -2.446 9.201 6.293 1.00 0.64 H new ATOM 0 HH TYR A 33 -2.457 9.192 8.487 1.00 1.11 H new ATOM 208 N LEU A 34 -2.380 5.014 4.145 1.00 0.33 N ATOM 209 CA LEU A 34 -3.814 5.099 3.997 1.00 0.36 C ATOM 210 C LEU A 34 -4.343 6.043 5.052 1.00 0.31 C ATOM 211 O LEU A 34 -3.997 5.916 6.231 1.00 0.35 O ATOM 212 CB LEU A 34 -4.476 3.743 4.204 1.00 0.45 C ATOM 213 CG LEU A 34 -3.594 2.521 3.931 1.00 0.64 C ATOM 214 CD1 LEU A 34 -4.218 1.278 4.538 1.00 1.18 C ATOM 215 CD2 LEU A 34 -3.377 2.329 2.439 1.00 1.06 C ATOM 0 H LEU A 34 -2.076 4.651 5.048 1.00 0.33 H new ATOM 0 HA LEU A 34 -4.038 5.448 2.989 1.00 0.36 H new ATOM 0 HB2 LEU A 34 -4.833 3.687 5.232 1.00 0.45 H new ATOM 0 HB3 LEU A 34 -5.353 3.686 3.559 1.00 0.45 H new ATOM 0 HG LEU A 34 -2.623 2.691 4.395 1.00 0.64 H new ATOM 0 HD11 LEU A 34 -3.582 0.416 4.337 1.00 1.18 H new ATOM 0 HD12 LEU A 34 -4.320 1.411 5.615 1.00 1.18 H new ATOM 0 HD13 LEU A 34 -5.202 1.113 4.098 1.00 1.18 H new ATOM 0 HD21 LEU A 34 -2.748 1.455 2.272 1.00 1.06 H new ATOM 0 HD22 LEU A 34 -4.339 2.183 1.947 1.00 1.06 H new ATOM 0 HD23 LEU A 34 -2.889 3.212 2.026 1.00 1.06 H new ATOM 227 N VAL A 35 -5.170 6.976 4.651 1.00 0.31 N ATOM 228 CA VAL A 35 -5.757 7.902 5.595 1.00 0.34 C ATOM 229 C VAL A 35 -6.925 7.252 6.335 1.00 0.46 C ATOM 230 O VAL A 35 -8.090 7.470 6.011 1.00 0.72 O ATOM 231 CB VAL A 35 -6.210 9.199 4.910 1.00 0.42 C ATOM 232 CG1 VAL A 35 -5.010 10.065 4.567 1.00 0.90 C ATOM 233 CG2 VAL A 35 -7.021 8.909 3.661 1.00 1.39 C ATOM 0 H VAL A 35 -5.453 7.117 3.681 1.00 0.31 H new ATOM 0 HA VAL A 35 -4.986 8.162 6.320 1.00 0.34 H new ATOM 0 HB VAL A 35 -6.848 9.739 5.609 1.00 0.42 H new ATOM 0 HG11 VAL A 35 -5.349 10.981 4.082 1.00 0.90 H new ATOM 0 HG12 VAL A 35 -4.470 10.316 5.480 1.00 0.90 H new ATOM 0 HG13 VAL A 35 -4.349 9.520 3.893 1.00 0.90 H new ATOM 0 HG21 VAL A 35 -7.327 9.848 3.199 1.00 1.39 H new ATOM 0 HG22 VAL A 35 -6.414 8.339 2.957 1.00 1.39 H new ATOM 0 HG23 VAL A 35 -7.906 8.331 3.928 1.00 1.39 H new ATOM 243 N GLU A 36 -6.579 6.459 7.347 1.00 0.59 N ATOM 244 CA GLU A 36 -7.545 5.685 8.133 1.00 0.77 C ATOM 245 C GLU A 36 -8.757 6.521 8.591 1.00 0.71 C ATOM 246 O GLU A 36 -9.893 6.075 8.432 1.00 0.79 O ATOM 247 CB GLU A 36 -6.840 5.051 9.339 1.00 1.03 C ATOM 248 CG GLU A 36 -7.710 4.085 10.128 1.00 1.76 C ATOM 249 CD GLU A 36 -6.958 3.414 11.261 1.00 1.96 C ATOM 250 OE1 GLU A 36 -6.853 4.015 12.352 1.00 2.34 O ATOM 251 OE2 GLU A 36 -6.478 2.275 11.076 1.00 2.24 O ATOM 0 H GLU A 36 -5.613 6.333 7.649 1.00 0.59 H new ATOM 0 HA GLU A 36 -7.940 4.904 7.483 1.00 0.77 H new ATOM 0 HB2 GLU A 36 -5.952 4.523 8.991 1.00 1.03 H new ATOM 0 HB3 GLU A 36 -6.499 5.843 10.005 1.00 1.03 H new ATOM 0 HG2 GLU A 36 -8.567 4.622 10.534 1.00 1.76 H new ATOM 0 HG3 GLU A 36 -8.102 3.322 9.455 1.00 1.76 H new ATOM 258 N PRO A 37 -8.547 7.736 9.165 1.00 0.70 N ATOM 259 CA PRO A 37 -9.654 8.604 9.609 1.00 0.83 C ATOM 260 C PRO A 37 -10.746 8.800 8.558 1.00 0.90 C ATOM 261 O PRO A 37 -11.914 8.993 8.894 1.00 1.46 O ATOM 262 CB PRO A 37 -8.961 9.933 9.903 1.00 0.91 C ATOM 263 CG PRO A 37 -7.580 9.554 10.297 1.00 0.91 C ATOM 264 CD PRO A 37 -7.234 8.342 9.478 1.00 0.73 C ATOM 0 HA PRO A 37 -10.177 8.166 10.459 1.00 0.83 H new ATOM 0 HB2 PRO A 37 -8.960 10.582 9.027 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -9.467 10.476 10.702 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -6.882 10.368 10.103 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -7.525 9.333 11.363 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -6.693 8.614 8.571 1.00 0.73 H new ATOM 0 HD3 PRO A 37 -6.598 7.653 10.034 1.00 0.73 H new ATOM 272 N ARG A 38 -10.363 8.742 7.293 1.00 0.89 N ATOM 273 CA ARG A 38 -11.302 8.948 6.198 1.00 0.93 C ATOM 274 C ARG A 38 -11.227 7.815 5.180 1.00 0.92 C ATOM 275 O ARG A 38 -11.400 8.029 3.979 1.00 1.42 O ATOM 276 CB ARG A 38 -11.057 10.300 5.517 1.00 0.99 C ATOM 277 CG ARG A 38 -11.585 11.478 6.316 1.00 1.31 C ATOM 278 CD ARG A 38 -11.354 12.791 5.592 1.00 1.06 C ATOM 279 NE ARG A 38 -12.035 13.904 6.254 1.00 1.41 N ATOM 280 CZ ARG A 38 -11.519 15.124 6.379 1.00 1.91 C ATOM 281 NH1 ARG A 38 -10.323 15.393 5.873 1.00 2.37 N ATOM 282 NH2 ARG A 38 -12.204 16.082 6.995 1.00 2.60 N ATOM 0 H ARG A 38 -9.405 8.553 6.996 1.00 0.89 H new ATOM 0 HA ARG A 38 -12.306 8.951 6.622 1.00 0.93 H new ATOM 0 HB2 ARG A 38 -9.987 10.429 5.356 1.00 0.99 H new ATOM 0 HB3 ARG A 38 -11.529 10.295 4.535 1.00 0.99 H new ATOM 0 HG2 ARG A 38 -12.651 11.346 6.500 1.00 1.31 H new ATOM 0 HG3 ARG A 38 -11.095 11.507 7.289 1.00 1.31 H new ATOM 0 HD2 ARG A 38 -10.285 12.996 5.544 1.00 1.06 H new ATOM 0 HD3 ARG A 38 -11.709 12.707 4.565 1.00 1.06 H new ATOM 0 HE ARG A 38 -12.962 13.734 6.644 1.00 1.41 H new ATOM 0 HH11 ARG A 38 -9.799 14.665 5.388 1.00 2.37 H new ATOM 0 HH12 ARG A 38 -9.927 16.328 5.969 1.00 2.37 H new ATOM 0 HH21 ARG A 38 -13.130 15.884 7.375 1.00 2.60 H new ATOM 0 HH22 ARG A 38 -11.804 17.016 7.088 1.00 2.60 H new ATOM 296 N MET A 39 -10.974 6.612 5.670 1.00 0.73 N ATOM 297 CA MET A 39 -10.970 5.419 4.842 1.00 0.74 C ATOM 298 C MET A 39 -11.607 4.279 5.599 1.00 0.74 C ATOM 299 O MET A 39 -11.166 3.929 6.694 1.00 1.05 O ATOM 300 CB MET A 39 -9.552 5.039 4.402 1.00 0.80 C ATOM 301 CG MET A 39 -9.080 5.832 3.201 1.00 1.19 C ATOM 302 SD MET A 39 -7.376 5.481 2.731 1.00 1.27 S ATOM 303 CE MET A 39 -7.565 3.881 1.960 1.00 0.61 C ATOM 0 H MET A 39 -10.766 6.436 6.653 1.00 0.73 H new ATOM 0 HA MET A 39 -11.545 5.628 3.940 1.00 0.74 H new ATOM 0 HB2 MET A 39 -8.863 5.200 5.232 1.00 0.80 H new ATOM 0 HB3 MET A 39 -9.522 3.976 4.164 1.00 0.80 H new ATOM 0 HG2 MET A 39 -9.733 5.618 2.355 1.00 1.19 H new ATOM 0 HG3 MET A 39 -9.177 6.896 3.417 1.00 1.19 H new ATOM 0 HE1 MET A 39 -6.611 3.566 1.536 1.00 0.61 H new ATOM 0 HE2 MET A 39 -7.889 3.154 2.705 1.00 0.61 H new ATOM 0 HE3 MET A 39 -8.311 3.945 1.168 1.00 0.61 H new ATOM 313 N GLY A 40 -12.656 3.722 5.018 1.00 1.32 N ATOM 314 CA GLY A 40 -13.388 2.655 5.663 1.00 1.52 C ATOM 315 C GLY A 40 -12.491 1.499 6.028 1.00 1.39 C ATOM 316 O GLY A 40 -11.855 0.910 5.158 1.00 1.36 O ATOM 0 H GLY A 40 -13.016 3.993 4.103 1.00 1.32 H new ATOM 0 HA2 GLY A 40 -13.871 3.038 6.562 1.00 1.52 H new ATOM 0 HA3 GLY A 40 -14.180 2.305 5.000 1.00 1.52 H new ATOM 320 N ARG A 41 -12.418 1.193 7.320 1.00 1.34 N ATOM 321 CA ARG A 41 -11.581 0.105 7.822 1.00 1.26 C ATOM 322 C ARG A 41 -11.894 -1.213 7.125 1.00 1.15 C ATOM 323 O ARG A 41 -11.019 -2.060 6.996 1.00 1.03 O ATOM 324 CB ARG A 41 -11.755 -0.037 9.334 1.00 1.42 C ATOM 325 CG ARG A 41 -10.912 -1.143 9.945 1.00 1.79 C ATOM 326 CD ARG A 41 -11.138 -1.245 11.446 1.00 1.72 C ATOM 327 NE ARG A 41 -12.559 -1.337 11.768 1.00 2.20 N ATOM 328 CZ ARG A 41 -13.211 -2.480 11.961 1.00 2.49 C ATOM 329 NH1 ARG A 41 -12.562 -3.636 11.947 1.00 2.51 N ATOM 330 NH2 ARG A 41 -14.516 -2.456 12.191 1.00 3.20 N ATOM 0 H ARG A 41 -12.934 1.689 8.047 1.00 1.34 H new ATOM 0 HA ARG A 41 -10.543 0.354 7.603 1.00 1.26 H new ATOM 0 HB2 ARG A 41 -11.498 0.909 9.811 1.00 1.42 H new ATOM 0 HB3 ARG A 41 -12.805 -0.230 9.553 1.00 1.42 H new ATOM 0 HG2 ARG A 41 -11.158 -2.094 9.473 1.00 1.79 H new ATOM 0 HG3 ARG A 41 -9.858 -0.952 9.746 1.00 1.79 H new ATOM 0 HD2 ARG A 41 -10.618 -2.121 11.835 1.00 1.72 H new ATOM 0 HD3 ARG A 41 -10.708 -0.374 11.940 1.00 1.72 H new ATOM 0 HE ARG A 41 -13.086 -0.468 11.850 1.00 2.20 H new ATOM 0 HH11 ARG A 41 -11.555 -3.653 11.787 1.00 2.51 H new ATOM 0 HH12 ARG A 41 -13.070 -4.508 12.096 1.00 2.51 H new ATOM 0 HH21 ARG A 41 -15.013 -1.566 12.219 1.00 3.20 H new ATOM 0 HH22 ARG A 41 -15.024 -3.328 12.340 1.00 3.20 H new ATOM 344 N SER A 42 -13.128 -1.380 6.668 1.00 1.23 N ATOM 345 CA SER A 42 -13.489 -2.562 5.894 1.00 1.19 C ATOM 346 C SER A 42 -12.697 -2.584 4.586 1.00 1.02 C ATOM 347 O SER A 42 -12.156 -3.618 4.184 1.00 0.94 O ATOM 348 CB SER A 42 -14.994 -2.575 5.611 1.00 1.38 C ATOM 349 OG SER A 42 -15.380 -3.738 4.900 1.00 2.00 O ATOM 0 H SER A 42 -13.890 -0.719 6.818 1.00 1.23 H new ATOM 0 HA SER A 42 -13.243 -3.454 6.471 1.00 1.19 H new ATOM 0 HB2 SER A 42 -15.542 -2.524 6.552 1.00 1.38 H new ATOM 0 HB3 SER A 42 -15.265 -1.689 5.036 1.00 1.38 H new ATOM 0 HG SER A 42 -16.346 -3.716 4.737 1.00 2.00 H new ATOM 355 N ARG A 43 -12.600 -1.424 3.946 1.00 1.01 N ATOM 356 CA ARG A 43 -11.853 -1.304 2.705 1.00 0.91 C ATOM 357 C ARG A 43 -10.367 -1.370 3.009 1.00 0.74 C ATOM 358 O ARG A 43 -9.618 -2.065 2.326 1.00 0.60 O ATOM 359 CB ARG A 43 -12.164 0.010 1.988 1.00 1.08 C ATOM 360 CG ARG A 43 -11.590 0.074 0.579 1.00 1.13 C ATOM 361 CD ARG A 43 -11.433 1.508 0.113 1.00 1.08 C ATOM 362 NE ARG A 43 -11.238 1.610 -1.335 1.00 0.95 N ATOM 363 CZ ARG A 43 -12.084 2.242 -2.152 1.00 1.74 C ATOM 364 NH1 ARG A 43 -13.178 2.813 -1.663 1.00 2.48 N ATOM 365 NH2 ARG A 43 -11.838 2.298 -3.457 1.00 2.23 N ATOM 0 H ARG A 43 -13.029 -0.556 4.267 1.00 1.01 H new ATOM 0 HA ARG A 43 -12.146 -2.125 2.050 1.00 0.91 H new ATOM 0 HB2 ARG A 43 -13.245 0.143 1.940 1.00 1.08 H new ATOM 0 HB3 ARG A 43 -11.766 0.839 2.573 1.00 1.08 H new ATOM 0 HG2 ARG A 43 -10.622 -0.426 0.555 1.00 1.13 H new ATOM 0 HG3 ARG A 43 -12.244 -0.464 -0.107 1.00 1.13 H new ATOM 0 HD2 ARG A 43 -12.317 2.078 0.398 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -10.583 1.961 0.623 1.00 1.08 H new ATOM 0 HE ARG A 43 -10.410 1.174 -1.742 1.00 0.95 H new ATOM 0 HH11 ARG A 43 -13.373 2.769 -0.663 1.00 2.48 H new ATOM 0 HH12 ARG A 43 -13.824 3.296 -2.288 1.00 2.48 H new ATOM 0 HH21 ARG A 43 -11.001 1.857 -3.837 1.00 2.23 H new ATOM 0 HH22 ARG A 43 -12.487 2.782 -4.078 1.00 2.23 H new ATOM 379 N ARG A 44 -9.942 -0.624 4.027 1.00 0.81 N ATOM 380 CA ARG A 44 -8.564 -0.690 4.486 1.00 0.77 C ATOM 381 C ARG A 44 -8.150 -2.141 4.739 1.00 0.68 C ATOM 382 O ARG A 44 -7.253 -2.639 4.075 1.00 0.62 O ATOM 383 CB ARG A 44 -8.363 0.152 5.751 1.00 0.95 C ATOM 384 CG ARG A 44 -6.957 0.058 6.323 1.00 0.98 C ATOM 385 CD ARG A 44 -6.714 1.088 7.414 1.00 1.46 C ATOM 386 NE ARG A 44 -5.385 0.935 8.003 1.00 1.62 N ATOM 387 CZ ARG A 44 -4.470 1.903 8.064 1.00 2.09 C ATOM 388 NH1 ARG A 44 -4.734 3.109 7.567 1.00 2.72 N ATOM 389 NH2 ARG A 44 -3.288 1.660 8.620 1.00 2.57 N ATOM 0 H ARG A 44 -10.531 0.028 4.544 1.00 0.81 H new ATOM 0 HA ARG A 44 -7.929 -0.279 3.701 1.00 0.77 H new ATOM 0 HB2 ARG A 44 -8.586 1.195 5.524 1.00 0.95 H new ATOM 0 HB3 ARG A 44 -9.078 -0.169 6.509 1.00 0.95 H new ATOM 0 HG2 ARG A 44 -6.796 -0.942 6.726 1.00 0.98 H new ATOM 0 HG3 ARG A 44 -6.230 0.199 5.523 1.00 0.98 H new ATOM 0 HD2 ARG A 44 -6.817 2.091 7.000 1.00 1.46 H new ATOM 0 HD3 ARG A 44 -7.472 0.984 8.190 1.00 1.46 H new ATOM 0 HE ARG A 44 -5.141 0.025 8.394 1.00 1.62 H new ATOM 0 HH11 ARG A 44 -5.640 3.296 7.137 1.00 2.72 H new ATOM 0 HH12 ARG A 44 -4.031 3.846 7.616 1.00 2.72 H new ATOM 0 HH21 ARG A 44 -3.083 0.735 8.998 1.00 2.57 H new ATOM 0 HH22 ARG A 44 -2.586 2.398 8.668 1.00 2.57 H new ATOM 403 N ALA A 45 -8.817 -2.821 5.675 1.00 0.82 N ATOM 404 CA ALA A 45 -8.551 -4.243 5.957 1.00 0.77 C ATOM 405 C ALA A 45 -8.575 -5.132 4.706 1.00 0.61 C ATOM 406 O ALA A 45 -7.965 -6.205 4.683 1.00 0.58 O ATOM 407 CB ALA A 45 -9.545 -4.773 6.973 1.00 0.91 C ATOM 0 H ALA A 45 -9.549 -2.412 6.255 1.00 0.82 H new ATOM 0 HA ALA A 45 -7.538 -4.286 6.357 1.00 0.77 H new ATOM 0 HB1 ALA A 45 -9.337 -5.824 7.172 1.00 0.91 H new ATOM 0 HB2 ALA A 45 -9.457 -4.204 7.899 1.00 0.91 H new ATOM 0 HB3 ALA A 45 -10.556 -4.672 6.580 1.00 0.91 H new ATOM 413 N PHE A 46 -9.242 -4.661 3.669 1.00 0.63 N ATOM 414 CA PHE A 46 -9.363 -5.421 2.440 1.00 0.57 C ATOM 415 C PHE A 46 -8.071 -5.289 1.641 1.00 0.44 C ATOM 416 O PHE A 46 -7.462 -6.286 1.245 1.00 0.44 O ATOM 417 CB PHE A 46 -10.610 -4.955 1.662 1.00 0.69 C ATOM 418 CG PHE A 46 -10.429 -4.791 0.181 1.00 0.64 C ATOM 419 CD1 PHE A 46 -10.611 -5.870 -0.665 1.00 0.74 C ATOM 420 CD2 PHE A 46 -10.070 -3.570 -0.364 1.00 0.57 C ATOM 421 CE1 PHE A 46 -10.442 -5.742 -2.023 1.00 0.78 C ATOM 422 CE2 PHE A 46 -9.897 -3.433 -1.729 1.00 0.61 C ATOM 423 CZ PHE A 46 -10.102 -4.449 -2.555 1.00 0.71 C ATOM 0 H PHE A 46 -9.709 -3.754 3.654 1.00 0.63 H new ATOM 0 HA PHE A 46 -9.505 -6.481 2.650 1.00 0.57 H new ATOM 0 HB2 PHE A 46 -11.412 -5.672 1.834 1.00 0.69 H new ATOM 0 HB3 PHE A 46 -10.940 -4.003 2.077 1.00 0.69 H new ATOM 0 HD1 PHE A 46 -10.890 -6.828 -0.252 1.00 0.74 H new ATOM 0 HD2 PHE A 46 -9.924 -2.717 0.282 1.00 0.57 H new ATOM 0 HE1 PHE A 46 -10.562 -6.593 -2.677 1.00 0.78 H new ATOM 0 HE2 PHE A 46 -9.589 -2.479 -2.130 1.00 0.61 H new ATOM 0 HZ PHE A 46 -10.014 -4.307 -3.622 1.00 0.71 H new ATOM 433 N LEU A 47 -7.611 -4.056 1.495 1.00 0.39 N ATOM 434 CA LEU A 47 -6.368 -3.767 0.797 1.00 0.35 C ATOM 435 C LEU A 47 -5.179 -4.110 1.681 1.00 0.38 C ATOM 436 O LEU A 47 -4.075 -4.297 1.194 1.00 0.47 O ATOM 437 CB LEU A 47 -6.326 -2.296 0.389 1.00 0.36 C ATOM 438 CG LEU A 47 -6.290 -1.312 1.551 1.00 0.38 C ATOM 439 CD1 LEU A 47 -4.871 -0.843 1.813 1.00 0.44 C ATOM 440 CD2 LEU A 47 -7.214 -0.143 1.287 1.00 0.42 C ATOM 0 H LEU A 47 -8.087 -3.230 1.856 1.00 0.39 H new ATOM 0 HA LEU A 47 -6.317 -4.379 -0.104 1.00 0.35 H new ATOM 0 HB2 LEU A 47 -5.448 -2.132 -0.235 1.00 0.36 H new ATOM 0 HB3 LEU A 47 -7.199 -2.079 -0.226 1.00 0.36 H new ATOM 0 HG LEU A 47 -6.643 -1.822 2.447 1.00 0.38 H new ATOM 0 HD11 LEU A 47 -4.868 -0.141 2.647 1.00 0.44 H new ATOM 0 HD12 LEU A 47 -4.244 -1.700 2.058 1.00 0.44 H new ATOM 0 HD13 LEU A 47 -4.480 -0.350 0.923 1.00 0.44 H new ATOM 0 HD21 LEU A 47 -7.175 0.549 2.128 1.00 0.42 H new ATOM 0 HD22 LEU A 47 -6.900 0.371 0.379 1.00 0.42 H new ATOM 0 HD23 LEU A 47 -8.234 -0.506 1.164 1.00 0.42 H new ATOM 452 N THR A 48 -5.417 -4.228 2.980 1.00 0.40 N ATOM 453 CA THR A 48 -4.329 -4.441 3.919 1.00 0.48 C ATOM 454 C THR A 48 -3.779 -5.853 3.755 1.00 0.48 C ATOM 455 O THR A 48 -2.610 -6.029 3.414 1.00 0.57 O ATOM 456 CB THR A 48 -4.760 -4.209 5.385 1.00 0.59 C ATOM 457 OG1 THR A 48 -5.170 -2.850 5.563 1.00 0.64 O ATOM 458 CG2 THR A 48 -3.623 -4.519 6.347 1.00 0.69 C ATOM 0 H THR A 48 -6.344 -4.180 3.403 1.00 0.40 H new ATOM 0 HA THR A 48 -3.554 -3.709 3.693 1.00 0.48 H new ATOM 0 HB THR A 48 -5.592 -4.879 5.601 1.00 0.59 H new ATOM 0 HG1 THR A 48 -5.757 -2.586 4.824 1.00 0.64 H new ATOM 0 HG21 THR A 48 -3.955 -4.347 7.371 1.00 0.69 H new ATOM 0 HG22 THR A 48 -3.324 -5.561 6.233 1.00 0.69 H new ATOM 0 HG23 THR A 48 -2.774 -3.872 6.127 1.00 0.69 H new ATOM 466 N GLY A 49 -4.625 -6.869 3.953 1.00 0.45 N ATOM 467 CA GLY A 49 -4.172 -8.239 3.781 1.00 0.50 C ATOM 468 C GLY A 49 -3.896 -8.570 2.330 1.00 0.42 C ATOM 469 O GLY A 49 -3.143 -9.500 2.023 1.00 0.42 O ATOM 0 H GLY A 49 -5.603 -6.767 4.226 1.00 0.45 H new ATOM 0 HA2 GLY A 49 -3.267 -8.397 4.367 1.00 0.50 H new ATOM 0 HA3 GLY A 49 -4.927 -8.922 4.171 1.00 0.50 H new ATOM 473 N LEU A 50 -4.481 -7.782 1.439 1.00 0.43 N ATOM 474 CA LEU A 50 -4.267 -7.983 0.020 1.00 0.42 C ATOM 475 C LEU A 50 -2.907 -7.456 -0.382 1.00 0.41 C ATOM 476 O LEU A 50 -2.068 -8.209 -0.852 1.00 0.46 O ATOM 477 CB LEU A 50 -5.350 -7.324 -0.829 1.00 0.44 C ATOM 478 CG LEU A 50 -6.639 -8.125 -0.973 1.00 0.46 C ATOM 479 CD1 LEU A 50 -7.570 -7.439 -1.950 1.00 0.58 C ATOM 480 CD2 LEU A 50 -6.336 -9.542 -1.435 1.00 0.48 C ATOM 0 H LEU A 50 -5.101 -7.006 1.674 1.00 0.43 H new ATOM 0 HA LEU A 50 -4.315 -9.056 -0.164 1.00 0.42 H new ATOM 0 HB2 LEU A 50 -5.591 -6.354 -0.394 1.00 0.44 H new ATOM 0 HB3 LEU A 50 -4.945 -7.135 -1.823 1.00 0.44 H new ATOM 0 HG LEU A 50 -7.128 -8.178 -0.000 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -8.488 -8.019 -2.046 1.00 0.58 H new ATOM 0 HD12 LEU A 50 -7.808 -6.440 -1.585 1.00 0.58 H new ATOM 0 HD13 LEU A 50 -7.085 -7.364 -2.923 1.00 0.58 H new ATOM 0 HD21 LEU A 50 -7.267 -10.100 -1.533 1.00 0.48 H new ATOM 0 HD22 LEU A 50 -5.830 -9.510 -2.400 1.00 0.48 H new ATOM 0 HD23 LEU A 50 -5.694 -10.033 -0.704 1.00 0.48 H new ATOM 492 N ALA A 51 -2.670 -6.179 -0.128 1.00 0.38 N ATOM 493 CA ALA A 51 -1.461 -5.516 -0.602 1.00 0.39 C ATOM 494 C ALA A 51 -0.216 -6.106 0.050 1.00 0.43 C ATOM 495 O ALA A 51 0.835 -6.226 -0.586 1.00 0.47 O ATOM 496 CB ALA A 51 -1.547 -4.019 -0.352 1.00 0.38 C ATOM 0 H ALA A 51 -3.299 -5.578 0.405 1.00 0.38 H new ATOM 0 HA ALA A 51 -1.380 -5.683 -1.676 1.00 0.39 H new ATOM 0 HB1 ALA A 51 -0.637 -3.537 -0.711 1.00 0.38 H new ATOM 0 HB2 ALA A 51 -2.407 -3.610 -0.882 1.00 0.38 H new ATOM 0 HB3 ALA A 51 -1.658 -3.834 0.717 1.00 0.38 H new ATOM 502 N ARG A 52 -0.353 -6.497 1.313 1.00 0.45 N ATOM 503 CA ARG A 52 0.729 -7.151 2.036 1.00 0.51 C ATOM 504 C ARG A 52 1.136 -8.445 1.343 1.00 0.60 C ATOM 505 O ARG A 52 2.323 -8.737 1.200 1.00 0.75 O ATOM 506 CB ARG A 52 0.310 -7.441 3.480 1.00 0.54 C ATOM 507 CG ARG A 52 0.358 -6.218 4.382 1.00 1.12 C ATOM 508 CD ARG A 52 -0.352 -6.449 5.710 1.00 1.04 C ATOM 509 NE ARG A 52 0.206 -7.574 6.462 1.00 1.51 N ATOM 510 CZ ARG A 52 0.016 -7.756 7.774 1.00 1.87 C ATOM 511 NH1 ARG A 52 -0.634 -6.850 8.492 1.00 1.75 N ATOM 512 NH2 ARG A 52 0.489 -8.840 8.372 1.00 2.79 N ATOM 0 H ARG A 52 -1.206 -6.371 1.857 1.00 0.45 H new ATOM 0 HA ARG A 52 1.585 -6.477 2.046 1.00 0.51 H new ATOM 0 HB2 ARG A 52 -0.702 -7.845 3.482 1.00 0.54 H new ATOM 0 HB3 ARG A 52 0.962 -8.212 3.891 1.00 0.54 H new ATOM 0 HG2 ARG A 52 1.397 -5.949 4.571 1.00 1.12 H new ATOM 0 HG3 ARG A 52 -0.102 -5.373 3.869 1.00 1.12 H new ATOM 0 HD2 ARG A 52 -0.285 -5.545 6.315 1.00 1.04 H new ATOM 0 HD3 ARG A 52 -1.411 -6.631 5.524 1.00 1.04 H new ATOM 0 HE ARG A 52 0.771 -8.257 5.958 1.00 1.51 H new ATOM 0 HH11 ARG A 52 -0.993 -6.007 8.045 1.00 1.75 H new ATOM 0 HH12 ARG A 52 -0.775 -6.996 9.492 1.00 1.75 H new ATOM 0 HH21 ARG A 52 1.000 -9.539 7.832 1.00 2.79 H new ATOM 0 HH22 ARG A 52 0.342 -8.976 9.372 1.00 2.79 H new ATOM 526 N SER A 53 0.143 -9.218 0.919 1.00 0.54 N ATOM 527 CA SER A 53 0.398 -10.466 0.216 1.00 0.61 C ATOM 528 C SER A 53 0.733 -10.225 -1.263 1.00 0.61 C ATOM 529 O SER A 53 1.383 -11.056 -1.903 1.00 0.69 O ATOM 530 CB SER A 53 -0.826 -11.379 0.337 1.00 0.63 C ATOM 531 OG SER A 53 -1.199 -11.548 1.696 1.00 1.36 O ATOM 0 H SER A 53 -0.845 -9.001 1.050 1.00 0.54 H new ATOM 0 HA SER A 53 1.263 -10.945 0.675 1.00 0.61 H new ATOM 0 HB2 SER A 53 -1.659 -10.953 -0.223 1.00 0.63 H new ATOM 0 HB3 SER A 53 -0.606 -12.350 -0.107 1.00 0.63 H new ATOM 0 HG SER A 53 -1.890 -10.893 1.929 1.00 1.36 H new ATOM 537 N LYS A 54 0.304 -9.082 -1.792 1.00 0.57 N ATOM 538 CA LYS A 54 0.476 -8.785 -3.211 1.00 0.60 C ATOM 539 C LYS A 54 1.920 -8.455 -3.558 1.00 0.63 C ATOM 540 O LYS A 54 2.502 -9.100 -4.429 1.00 0.76 O ATOM 541 CB LYS A 54 -0.432 -7.640 -3.669 1.00 0.56 C ATOM 542 CG LYS A 54 -1.911 -7.998 -3.731 1.00 0.54 C ATOM 543 CD LYS A 54 -2.175 -9.179 -4.643 1.00 0.60 C ATOM 544 CE LYS A 54 -3.662 -9.501 -4.707 1.00 0.64 C ATOM 545 NZ LYS A 54 -3.945 -10.684 -5.559 1.00 0.83 N ATOM 0 H LYS A 54 -0.164 -8.348 -1.261 1.00 0.57 H new ATOM 0 HA LYS A 54 0.191 -9.693 -3.742 1.00 0.60 H new ATOM 0 HB2 LYS A 54 -0.303 -6.796 -2.991 1.00 0.56 H new ATOM 0 HB3 LYS A 54 -0.109 -7.308 -4.656 1.00 0.56 H new ATOM 0 HG2 LYS A 54 -2.270 -8.228 -2.728 1.00 0.54 H new ATOM 0 HG3 LYS A 54 -2.478 -7.136 -4.082 1.00 0.54 H new ATOM 0 HD2 LYS A 54 -1.804 -8.959 -5.644 1.00 0.60 H new ATOM 0 HD3 LYS A 54 -1.626 -10.050 -4.284 1.00 0.60 H new ATOM 0 HE2 LYS A 54 -4.036 -9.684 -3.700 1.00 0.64 H new ATOM 0 HE3 LYS A 54 -4.202 -8.638 -5.096 1.00 0.64 H new ATOM 0 HZ1 LYS A 54 -4.969 -10.865 -5.573 1.00 0.83 H new ATOM 0 HZ2 LYS A 54 -3.613 -10.502 -6.527 1.00 0.83 H new ATOM 0 HZ3 LYS A 54 -3.452 -11.515 -5.174 1.00 0.83 H new ATOM 559 N GLY A 55 2.517 -7.468 -2.888 1.00 0.56 N ATOM 560 CA GLY A 55 3.860 -7.048 -3.252 1.00 0.61 C ATOM 561 C GLY A 55 4.158 -5.618 -2.814 1.00 0.54 C ATOM 562 O GLY A 55 4.873 -4.892 -3.504 1.00 0.57 O ATOM 0 H GLY A 55 2.100 -6.958 -2.109 1.00 0.56 H new ATOM 0 HA2 GLY A 55 4.585 -7.723 -2.798 1.00 0.61 H new ATOM 0 HA3 GLY A 55 3.983 -7.128 -4.332 1.00 0.61 H new ATOM 566 N PHE A 56 3.613 -5.215 -1.663 1.00 0.50 N ATOM 567 CA PHE A 56 3.868 -3.885 -1.100 1.00 0.47 C ATOM 568 C PHE A 56 3.861 -3.969 0.418 1.00 0.42 C ATOM 569 O PHE A 56 3.341 -4.940 0.973 1.00 0.65 O ATOM 570 CB PHE A 56 2.767 -2.898 -1.519 1.00 0.66 C ATOM 571 CG PHE A 56 2.251 -3.063 -2.923 1.00 0.56 C ATOM 572 CD1 PHE A 56 1.242 -3.964 -3.206 1.00 0.53 C ATOM 573 CD2 PHE A 56 2.789 -2.320 -3.963 1.00 0.61 C ATOM 574 CE1 PHE A 56 0.781 -4.120 -4.497 1.00 0.48 C ATOM 575 CE2 PHE A 56 2.330 -2.475 -5.254 1.00 0.58 C ATOM 576 CZ PHE A 56 1.271 -3.362 -5.505 1.00 0.47 C ATOM 0 H PHE A 56 2.989 -5.793 -1.100 1.00 0.50 H new ATOM 0 HA PHE A 56 4.834 -3.540 -1.469 1.00 0.47 H new ATOM 0 HB2 PHE A 56 1.930 -2.999 -0.828 1.00 0.66 H new ATOM 0 HB3 PHE A 56 3.151 -1.884 -1.408 1.00 0.66 H new ATOM 0 HD1 PHE A 56 0.810 -4.551 -2.409 1.00 0.53 H new ATOM 0 HD2 PHE A 56 3.578 -1.611 -3.759 1.00 0.61 H new ATOM 0 HE1 PHE A 56 0.019 -4.857 -4.706 1.00 0.48 H new ATOM 0 HE2 PHE A 56 2.780 -1.920 -6.064 1.00 0.58 H new ATOM 0 HZ PHE A 56 0.850 -3.439 -6.497 1.00 0.47 H new ATOM 586 N ARG A 57 4.461 -3.000 1.113 1.00 0.46 N ATOM 587 CA ARG A 57 4.241 -2.872 2.543 1.00 0.68 C ATOM 588 C ARG A 57 2.959 -2.099 2.825 1.00 0.79 C ATOM 589 O ARG A 57 2.232 -1.714 1.913 1.00 1.17 O ATOM 590 CB ARG A 57 5.427 -2.142 3.216 1.00 0.93 C ATOM 591 CG ARG A 57 5.390 -0.623 3.116 1.00 0.72 C ATOM 592 CD ARG A 57 6.151 0.025 4.270 1.00 1.01 C ATOM 593 NE ARG A 57 5.507 -0.242 5.562 1.00 1.72 N ATOM 594 CZ ARG A 57 6.141 -0.254 6.737 1.00 2.00 C ATOM 595 NH1 ARG A 57 7.406 0.129 6.829 1.00 1.80 N ATOM 596 NH2 ARG A 57 5.485 -0.593 7.840 1.00 3.00 N ATOM 0 H ARG A 57 5.092 -2.306 0.711 1.00 0.46 H new ATOM 0 HA ARG A 57 4.154 -3.878 2.954 1.00 0.68 H new ATOM 0 HB2 ARG A 57 5.455 -2.421 4.269 1.00 0.93 H new ATOM 0 HB3 ARG A 57 6.355 -2.498 2.767 1.00 0.93 H new ATOM 0 HG2 ARG A 57 5.825 -0.308 2.168 1.00 0.72 H new ATOM 0 HG3 ARG A 57 4.355 -0.281 3.122 1.00 0.72 H new ATOM 0 HD2 ARG A 57 7.174 -0.351 4.288 1.00 1.01 H new ATOM 0 HD3 ARG A 57 6.210 1.101 4.108 1.00 1.01 H new ATOM 0 HE ARG A 57 4.505 -0.432 5.562 1.00 1.72 H new ATOM 0 HH11 ARG A 57 7.907 0.438 5.996 1.00 1.80 H new ATOM 0 HH12 ARG A 57 7.879 0.115 7.733 1.00 1.80 H new ATOM 0 HH21 ARG A 57 4.498 -0.844 7.789 1.00 3.00 H new ATOM 0 HH22 ARG A 57 5.968 -0.603 8.738 1.00 3.00 H new ATOM 610 N VAL A 58 2.714 -1.850 4.101 1.00 0.67 N ATOM 611 CA VAL A 58 1.609 -1.028 4.530 1.00 0.69 C ATOM 612 C VAL A 58 2.157 0.027 5.476 1.00 0.68 C ATOM 613 O VAL A 58 2.761 -0.302 6.501 1.00 0.73 O ATOM 614 CB VAL A 58 0.493 -1.840 5.230 1.00 0.76 C ATOM 615 CG1 VAL A 58 -0.572 -0.911 5.801 1.00 0.81 C ATOM 616 CG2 VAL A 58 -0.137 -2.830 4.265 1.00 0.88 C ATOM 0 H VAL A 58 3.281 -2.216 4.866 1.00 0.67 H new ATOM 0 HA VAL A 58 1.150 -0.576 3.651 1.00 0.69 H new ATOM 0 HB VAL A 58 0.945 -2.396 6.051 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -1.347 -1.502 6.289 1.00 0.81 H new ATOM 0 HG12 VAL A 58 -0.117 -0.239 6.528 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -1.015 -0.326 4.995 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -0.919 -3.390 4.778 1.00 0.88 H new ATOM 0 HG22 VAL A 58 -0.570 -2.291 3.422 1.00 0.88 H new ATOM 0 HG23 VAL A 58 0.625 -3.520 3.902 1.00 0.88 H new ATOM 626 N LEU A 59 1.998 1.280 5.106 1.00 0.70 N ATOM 627 CA LEU A 59 2.582 2.384 5.846 1.00 0.77 C ATOM 628 C LEU A 59 1.498 3.071 6.675 1.00 0.91 C ATOM 629 O LEU A 59 0.454 3.458 6.151 1.00 1.02 O ATOM 630 CB LEU A 59 3.245 3.350 4.852 1.00 0.74 C ATOM 631 CG LEU A 59 4.267 4.338 5.423 1.00 0.87 C ATOM 632 CD1 LEU A 59 3.576 5.494 6.114 1.00 1.13 C ATOM 633 CD2 LEU A 59 5.224 3.639 6.378 1.00 0.99 C ATOM 0 H LEU A 59 1.462 1.564 4.286 1.00 0.70 H new ATOM 0 HA LEU A 59 3.346 2.027 6.536 1.00 0.77 H new ATOM 0 HB2 LEU A 59 3.739 2.758 4.082 1.00 0.74 H new ATOM 0 HB3 LEU A 59 2.459 3.922 4.359 1.00 0.74 H new ATOM 0 HG LEU A 59 4.846 4.737 4.590 1.00 0.87 H new ATOM 0 HD11 LEU A 59 4.324 6.181 6.510 1.00 1.13 H new ATOM 0 HD12 LEU A 59 2.944 6.020 5.399 1.00 1.13 H new ATOM 0 HD13 LEU A 59 2.962 5.115 6.931 1.00 1.13 H new ATOM 0 HD21 LEU A 59 5.940 4.362 6.770 1.00 0.99 H new ATOM 0 HD22 LEU A 59 4.661 3.202 7.203 1.00 0.99 H new ATOM 0 HD23 LEU A 59 5.758 2.851 5.846 1.00 0.99 H new ATOM 645 N ASP A 60 1.743 3.213 7.967 1.00 1.06 N ATOM 646 CA ASP A 60 0.768 3.810 8.870 1.00 1.31 C ATOM 647 C ASP A 60 1.487 4.530 10.002 1.00 1.32 C ATOM 648 O ASP A 60 1.054 4.520 11.155 1.00 2.09 O ATOM 649 CB ASP A 60 -0.204 2.750 9.421 1.00 1.89 C ATOM 650 CG ASP A 60 0.468 1.689 10.277 1.00 2.15 C ATOM 651 OD1 ASP A 60 1.207 0.851 9.723 1.00 2.89 O ATOM 652 OD2 ASP A 60 0.283 1.700 11.514 1.00 2.30 O ATOM 0 H ASP A 60 2.611 2.923 8.417 1.00 1.06 H new ATOM 0 HA ASP A 60 0.176 4.535 8.311 1.00 1.31 H new ATOM 0 HB2 ASP A 60 -0.973 3.248 10.012 1.00 1.89 H new ATOM 0 HB3 ASP A 60 -0.709 2.264 8.586 1.00 1.89 H new ATOM 657 N ALA A 61 2.582 5.179 9.643 1.00 1.32 N ATOM 658 CA ALA A 61 3.398 5.911 10.591 1.00 1.55 C ATOM 659 C ALA A 61 3.609 7.333 10.100 1.00 1.25 C ATOM 660 O ALA A 61 3.415 7.626 8.918 1.00 1.76 O ATOM 661 CB ALA A 61 4.736 5.210 10.781 1.00 2.66 C ATOM 0 H ALA A 61 2.929 5.212 8.684 1.00 1.32 H new ATOM 0 HA ALA A 61 2.885 5.944 11.552 1.00 1.55 H new ATOM 0 HB1 ALA A 61 5.341 5.768 11.495 1.00 2.66 H new ATOM 0 HB2 ALA A 61 4.568 4.201 11.158 1.00 2.66 H new ATOM 0 HB3 ALA A 61 5.258 5.158 9.826 1.00 2.66 H new ATOM 667 N CYS A 62 4.006 8.214 11.004 1.00 1.19 N ATOM 668 CA CYS A 62 4.186 9.620 10.677 1.00 1.18 C ATOM 669 C CYS A 62 5.542 9.872 10.022 1.00 1.18 C ATOM 670 O CYS A 62 5.912 11.021 9.767 1.00 1.66 O ATOM 671 CB CYS A 62 4.033 10.474 11.935 1.00 1.44 C ATOM 672 SG CYS A 62 2.430 10.288 12.751 1.00 2.09 S ATOM 0 H CYS A 62 4.211 7.979 11.975 1.00 1.19 H new ATOM 0 HA CYS A 62 3.416 9.901 9.959 1.00 1.18 H new ATOM 0 HB2 CYS A 62 4.822 10.211 12.640 1.00 1.44 H new ATOM 0 HB3 CYS A 62 4.177 11.522 11.672 1.00 1.44 H new ATOM 0 HG CYS A 62 2.390 11.045 13.807 1.00 2.09 H new ATOM 678 N SER A 63 6.261 8.798 9.729 1.00 1.03 N ATOM 679 CA SER A 63 7.564 8.880 9.084 1.00 1.07 C ATOM 680 C SER A 63 7.426 9.307 7.624 1.00 1.01 C ATOM 681 O SER A 63 6.323 9.319 7.068 1.00 1.03 O ATOM 682 CB SER A 63 8.251 7.516 9.175 1.00 1.23 C ATOM 683 OG SER A 63 7.370 6.484 8.757 1.00 1.76 O ATOM 0 H SER A 63 5.958 7.845 9.932 1.00 1.03 H new ATOM 0 HA SER A 63 8.167 9.631 9.594 1.00 1.07 H new ATOM 0 HB2 SER A 63 9.146 7.511 8.553 1.00 1.23 H new ATOM 0 HB3 SER A 63 8.574 7.333 10.200 1.00 1.23 H new ATOM 0 HG SER A 63 7.826 5.619 8.820 1.00 1.76 H new ATOM 689 N SER A 64 8.543 9.664 7.005 1.00 1.04 N ATOM 690 CA SER A 64 8.547 10.065 5.606 1.00 1.05 C ATOM 691 C SER A 64 8.852 8.872 4.711 1.00 0.99 C ATOM 692 O SER A 64 9.027 9.018 3.501 1.00 1.01 O ATOM 693 CB SER A 64 9.563 11.187 5.361 1.00 1.23 C ATOM 694 OG SER A 64 10.869 10.800 5.768 1.00 1.95 O ATOM 0 H SER A 64 9.460 9.684 7.451 1.00 1.04 H new ATOM 0 HA SER A 64 7.555 10.443 5.360 1.00 1.05 H new ATOM 0 HB2 SER A 64 9.572 11.447 4.303 1.00 1.23 H new ATOM 0 HB3 SER A 64 9.260 12.081 5.907 1.00 1.23 H new ATOM 0 HG SER A 64 11.534 11.256 5.211 1.00 1.95 H new ATOM 700 N GLU A 65 8.925 7.691 5.328 1.00 0.97 N ATOM 701 CA GLU A 65 9.156 6.447 4.603 1.00 0.96 C ATOM 702 C GLU A 65 8.069 6.247 3.555 1.00 0.83 C ATOM 703 O GLU A 65 8.305 5.644 2.506 1.00 0.86 O ATOM 704 CB GLU A 65 9.159 5.260 5.571 1.00 1.04 C ATOM 705 CG GLU A 65 9.565 3.946 4.922 1.00 1.17 C ATOM 706 CD GLU A 65 9.254 2.741 5.787 1.00 1.41 C ATOM 707 OE1 GLU A 65 9.572 2.773 6.997 1.00 1.70 O ATOM 708 OE2 GLU A 65 8.677 1.767 5.266 1.00 1.51 O ATOM 0 H GLU A 65 8.826 7.573 6.336 1.00 0.97 H new ATOM 0 HA GLU A 65 10.127 6.506 4.111 1.00 0.96 H new ATOM 0 HB2 GLU A 65 9.841 5.475 6.394 1.00 1.04 H new ATOM 0 HB3 GLU A 65 8.164 5.151 6.002 1.00 1.04 H new ATOM 0 HG2 GLU A 65 9.050 3.844 3.967 1.00 1.17 H new ATOM 0 HG3 GLU A 65 10.633 3.967 4.708 1.00 1.17 H new ATOM 715 N ALA A 66 6.883 6.779 3.846 1.00 0.78 N ATOM 716 CA ALA A 66 5.749 6.663 2.946 1.00 0.71 C ATOM 717 C ALA A 66 6.091 7.229 1.583 1.00 0.66 C ATOM 718 O ALA A 66 6.756 8.257 1.471 1.00 0.90 O ATOM 719 CB ALA A 66 4.537 7.371 3.510 1.00 0.80 C ATOM 0 H ALA A 66 6.687 7.296 4.703 1.00 0.78 H new ATOM 0 HA ALA A 66 5.513 5.604 2.839 1.00 0.71 H new ATOM 0 HB1 ALA A 66 3.701 7.270 2.818 1.00 0.80 H new ATOM 0 HB2 ALA A 66 4.270 6.927 4.469 1.00 0.80 H new ATOM 0 HB3 ALA A 66 4.765 8.427 3.651 1.00 0.80 H new ATOM 725 N THR A 67 5.622 6.563 0.553 1.00 0.57 N ATOM 726 CA THR A 67 6.003 6.904 -0.797 1.00 0.51 C ATOM 727 C THR A 67 4.926 6.447 -1.765 1.00 0.41 C ATOM 728 O THR A 67 5.232 5.991 -2.861 1.00 0.55 O ATOM 729 CB THR A 67 7.347 6.220 -1.148 1.00 0.62 C ATOM 730 OG1 THR A 67 7.832 6.660 -2.422 1.00 0.67 O ATOM 731 CG2 THR A 67 7.197 4.699 -1.134 1.00 0.70 C ATOM 0 H THR A 67 4.974 5.779 0.626 1.00 0.57 H new ATOM 0 HA THR A 67 6.119 7.985 -0.875 1.00 0.51 H new ATOM 0 HB THR A 67 8.076 6.506 -0.389 1.00 0.62 H new ATOM 0 HG1 THR A 67 7.117 6.584 -3.088 1.00 0.67 H new ATOM 0 HG21 THR A 67 8.152 4.237 -1.383 1.00 0.70 H new ATOM 0 HG22 THR A 67 6.884 4.373 -0.142 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.447 4.401 -1.867 1.00 0.70 H new ATOM 739 N HIS A 68 3.652 6.657 -1.420 1.00 0.50 N ATOM 740 CA HIS A 68 2.557 5.905 -2.029 1.00 0.42 C ATOM 741 C HIS A 68 1.339 6.089 -1.160 1.00 0.44 C ATOM 742 O HIS A 68 0.873 5.168 -0.505 1.00 0.61 O ATOM 743 CB HIS A 68 2.866 4.419 -2.264 1.00 0.51 C ATOM 744 CG HIS A 68 3.276 4.140 -3.685 1.00 0.50 C ATOM 745 ND1 HIS A 68 4.473 3.544 -4.031 1.00 1.34 N ATOM 746 CD2 HIS A 68 2.647 4.412 -4.853 1.00 1.05 C ATOM 747 CE1 HIS A 68 4.559 3.464 -5.347 1.00 1.10 C ATOM 748 NE2 HIS A 68 3.466 3.984 -5.866 1.00 0.72 N ATOM 0 H HIS A 68 3.357 7.341 -0.723 1.00 0.50 H new ATOM 0 HA HIS A 68 2.387 6.299 -3.031 1.00 0.42 H new ATOM 0 HB2 HIS A 68 3.663 4.105 -1.590 1.00 0.51 H new ATOM 0 HB3 HIS A 68 1.987 3.824 -2.018 1.00 0.51 H new ATOM 0 HD2 HIS A 68 1.680 4.879 -4.966 1.00 1.05 H new ATOM 0 HE1 HIS A 68 5.385 3.044 -5.902 1.00 1.10 H new ATOM 0 HE2 HIS A 68 3.261 4.057 -6.863 1.00 0.72 H new ATOM 757 N VAL A 69 0.849 7.318 -1.150 1.00 0.37 N ATOM 758 CA VAL A 69 -0.312 7.669 -0.367 1.00 0.36 C ATOM 759 C VAL A 69 -1.568 7.451 -1.198 1.00 0.34 C ATOM 760 O VAL A 69 -1.649 7.883 -2.343 1.00 0.43 O ATOM 761 CB VAL A 69 -0.271 9.137 0.110 1.00 0.41 C ATOM 762 CG1 VAL A 69 -1.533 9.471 0.891 1.00 0.49 C ATOM 763 CG2 VAL A 69 0.965 9.399 0.965 1.00 0.43 C ATOM 0 H VAL A 69 1.246 8.092 -1.683 1.00 0.37 H new ATOM 0 HA VAL A 69 -0.318 7.030 0.516 1.00 0.36 H new ATOM 0 HB VAL A 69 -0.218 9.780 -0.769 1.00 0.41 H new ATOM 0 HG11 VAL A 69 -1.492 10.509 1.222 1.00 0.49 H new ATOM 0 HG12 VAL A 69 -2.405 9.328 0.252 1.00 0.49 H new ATOM 0 HG13 VAL A 69 -1.608 8.816 1.759 1.00 0.49 H new ATOM 0 HG21 VAL A 69 0.970 10.440 1.288 1.00 0.43 H new ATOM 0 HG22 VAL A 69 0.948 8.748 1.839 1.00 0.43 H new ATOM 0 HG23 VAL A 69 1.862 9.197 0.380 1.00 0.43 H new ATOM 773 N VAL A 70 -2.532 6.796 -0.602 1.00 0.35 N ATOM 774 CA VAL A 70 -3.786 6.489 -1.246 1.00 0.36 C ATOM 775 C VAL A 70 -4.933 7.000 -0.389 1.00 0.39 C ATOM 776 O VAL A 70 -4.813 7.098 0.834 1.00 0.65 O ATOM 777 CB VAL A 70 -3.953 4.983 -1.473 1.00 0.46 C ATOM 778 CG1 VAL A 70 -3.008 4.486 -2.556 1.00 0.90 C ATOM 779 CG2 VAL A 70 -3.736 4.221 -0.183 1.00 0.69 C ATOM 0 H VAL A 70 -2.468 6.456 0.357 1.00 0.35 H new ATOM 0 HA VAL A 70 -3.792 6.979 -2.220 1.00 0.36 H new ATOM 0 HB VAL A 70 -4.974 4.804 -1.810 1.00 0.46 H new ATOM 0 HG11 VAL A 70 -3.147 3.414 -2.697 1.00 0.90 H new ATOM 0 HG12 VAL A 70 -3.220 5.005 -3.491 1.00 0.90 H new ATOM 0 HG13 VAL A 70 -1.978 4.682 -2.258 1.00 0.90 H new ATOM 0 HG21 VAL A 70 -3.859 3.154 -0.366 1.00 0.69 H new ATOM 0 HG22 VAL A 70 -2.729 4.412 0.187 1.00 0.69 H new ATOM 0 HG23 VAL A 70 -4.464 4.548 0.560 1.00 0.69 H new ATOM 789 N MET A 71 -6.033 7.335 -1.032 1.00 0.35 N ATOM 790 CA MET A 71 -7.200 7.853 -0.332 1.00 0.34 C ATOM 791 C MET A 71 -8.461 7.541 -1.122 1.00 0.30 C ATOM 792 O MET A 71 -8.427 7.490 -2.351 1.00 0.37 O ATOM 793 CB MET A 71 -7.073 9.366 -0.123 1.00 0.45 C ATOM 794 CG MET A 71 -8.206 9.956 0.708 1.00 1.06 C ATOM 795 SD MET A 71 -8.017 11.724 1.029 1.00 1.38 S ATOM 796 CE MET A 71 -6.298 11.814 1.528 1.00 1.68 C ATOM 0 H MET A 71 -6.147 7.259 -2.043 1.00 0.35 H new ATOM 0 HA MET A 71 -7.262 7.372 0.644 1.00 0.34 H new ATOM 0 HB2 MET A 71 -6.123 9.580 0.367 1.00 0.45 H new ATOM 0 HB3 MET A 71 -7.049 9.859 -1.095 1.00 0.45 H new ATOM 0 HG2 MET A 71 -9.151 9.787 0.192 1.00 1.06 H new ATOM 0 HG3 MET A 71 -8.263 9.426 1.659 1.00 1.06 H new ATOM 0 HE1 MET A 71 -6.169 12.626 2.243 1.00 1.68 H new ATOM 0 HE2 MET A 71 -6.004 10.872 1.991 1.00 1.68 H new ATOM 0 HE3 MET A 71 -5.674 11.998 0.653 1.00 1.68 H new ATOM 806 N GLU A 72 -9.561 7.304 -0.428 1.00 0.33 N ATOM 807 CA GLU A 72 -10.841 7.146 -1.091 1.00 0.39 C ATOM 808 C GLU A 72 -11.676 8.403 -0.876 1.00 0.41 C ATOM 809 O GLU A 72 -11.383 9.184 0.031 1.00 0.49 O ATOM 810 CB GLU A 72 -11.581 5.912 -0.571 1.00 0.56 C ATOM 811 CG GLU A 72 -11.909 5.965 0.910 1.00 1.10 C ATOM 812 CD GLU A 72 -12.797 4.819 1.346 1.00 1.59 C ATOM 813 OE1 GLU A 72 -13.980 4.793 0.960 1.00 2.28 O ATOM 814 OE2 GLU A 72 -12.304 3.930 2.075 1.00 1.94 O ATOM 0 H GLU A 72 -9.593 7.217 0.588 1.00 0.33 H new ATOM 0 HA GLU A 72 -10.672 7.002 -2.158 1.00 0.39 H new ATOM 0 HB2 GLU A 72 -12.507 5.793 -1.133 1.00 0.56 H new ATOM 0 HB3 GLU A 72 -10.974 5.028 -0.766 1.00 0.56 H new ATOM 0 HG2 GLU A 72 -10.983 5.943 1.485 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -12.403 6.910 1.136 1.00 1.10 H new ATOM 821 N GLU A 73 -12.691 8.603 -1.720 1.00 0.51 N ATOM 822 CA GLU A 73 -13.594 9.759 -1.612 1.00 0.68 C ATOM 823 C GLU A 73 -12.879 11.072 -1.943 1.00 0.66 C ATOM 824 O GLU A 73 -13.426 12.157 -1.737 1.00 0.81 O ATOM 825 CB GLU A 73 -14.193 9.843 -0.205 1.00 0.87 C ATOM 826 CG GLU A 73 -15.029 8.636 0.163 1.00 1.08 C ATOM 827 CD GLU A 73 -16.378 8.629 -0.513 1.00 1.30 C ATOM 828 OE1 GLU A 73 -17.216 9.491 -0.179 1.00 1.74 O ATOM 829 OE2 GLU A 73 -16.604 7.761 -1.380 1.00 1.54 O ATOM 0 H GLU A 73 -12.912 7.975 -2.493 1.00 0.51 H new ATOM 0 HA GLU A 73 -14.392 9.613 -2.340 1.00 0.68 H new ATOM 0 HB2 GLU A 73 -13.386 9.952 0.520 1.00 0.87 H new ATOM 0 HB3 GLU A 73 -14.810 10.739 -0.133 1.00 0.87 H new ATOM 0 HG2 GLU A 73 -14.488 7.729 -0.107 1.00 1.08 H new ATOM 0 HG3 GLU A 73 -15.169 8.613 1.244 1.00 1.08 H new ATOM 836 N THR A 74 -11.669 10.968 -2.471 1.00 0.57 N ATOM 837 CA THR A 74 -10.805 12.117 -2.643 1.00 0.56 C ATOM 838 C THR A 74 -11.202 13.016 -3.807 1.00 0.56 C ATOM 839 O THR A 74 -11.385 12.560 -4.939 1.00 0.75 O ATOM 840 CB THR A 74 -9.365 11.667 -2.881 1.00 0.77 C ATOM 841 OG1 THR A 74 -9.204 10.303 -2.465 1.00 1.11 O ATOM 842 CG2 THR A 74 -8.409 12.558 -2.119 1.00 0.63 C ATOM 0 H THR A 74 -11.263 10.088 -2.790 1.00 0.57 H new ATOM 0 HA THR A 74 -10.903 12.690 -1.721 1.00 0.56 H new ATOM 0 HB THR A 74 -9.142 11.742 -3.945 1.00 0.77 H new ATOM 0 HG1 THR A 74 -9.383 9.707 -3.222 1.00 1.11 H new ATOM 0 HG21 THR A 74 -7.385 12.228 -2.296 1.00 0.63 H new ATOM 0 HG22 THR A 74 -8.522 13.588 -2.458 1.00 0.63 H new ATOM 0 HG23 THR A 74 -8.630 12.501 -1.053 1.00 0.63 H new ATOM 850 N SER A 75 -11.361 14.292 -3.501 1.00 0.55 N ATOM 851 CA SER A 75 -11.303 15.329 -4.510 1.00 0.63 C ATOM 852 C SER A 75 -9.861 15.813 -4.569 1.00 0.53 C ATOM 853 O SER A 75 -9.181 15.789 -3.551 1.00 0.52 O ATOM 854 CB SER A 75 -12.254 16.476 -4.161 1.00 0.76 C ATOM 855 OG SER A 75 -13.573 15.992 -3.967 1.00 1.31 O ATOM 0 H SER A 75 -11.532 14.634 -2.555 1.00 0.55 H new ATOM 0 HA SER A 75 -11.616 14.944 -5.481 1.00 0.63 H new ATOM 0 HB2 SER A 75 -11.909 16.979 -3.257 1.00 0.76 H new ATOM 0 HB3 SER A 75 -12.247 17.217 -4.960 1.00 0.76 H new ATOM 0 HG SER A 75 -14.166 16.739 -3.743 1.00 1.31 H new ATOM 861 N ALA A 76 -9.408 16.235 -5.743 1.00 0.52 N ATOM 862 CA ALA A 76 -7.999 16.594 -5.972 1.00 0.49 C ATOM 863 C ALA A 76 -7.365 17.392 -4.822 1.00 0.40 C ATOM 864 O ALA A 76 -6.250 17.112 -4.400 1.00 0.41 O ATOM 865 CB ALA A 76 -7.887 17.387 -7.255 1.00 0.57 C ATOM 0 H ALA A 76 -10.000 16.341 -6.567 1.00 0.52 H new ATOM 0 HA ALA A 76 -7.447 15.656 -6.037 1.00 0.49 H new ATOM 0 HB1 ALA A 76 -6.845 17.655 -7.428 1.00 0.57 H new ATOM 0 HB2 ALA A 76 -8.250 16.785 -8.088 1.00 0.57 H new ATOM 0 HB3 ALA A 76 -8.486 18.294 -7.175 1.00 0.57 H new ATOM 871 N GLU A 77 -8.076 18.381 -4.311 1.00 0.42 N ATOM 872 CA GLU A 77 -7.525 19.248 -3.278 1.00 0.44 C ATOM 873 C GLU A 77 -7.541 18.559 -1.913 1.00 0.38 C ATOM 874 O GLU A 77 -6.666 18.800 -1.080 1.00 0.39 O ATOM 875 CB GLU A 77 -8.283 20.578 -3.222 1.00 0.61 C ATOM 876 CG GLU A 77 -9.790 20.425 -3.308 1.00 1.06 C ATOM 877 CD GLU A 77 -10.290 20.314 -4.731 1.00 1.33 C ATOM 878 OE1 GLU A 77 -10.426 21.358 -5.399 1.00 1.91 O ATOM 879 OE2 GLU A 77 -10.551 19.184 -5.184 1.00 1.80 O ATOM 0 H GLU A 77 -9.031 18.605 -4.590 1.00 0.42 H new ATOM 0 HA GLU A 77 -6.487 19.457 -3.537 1.00 0.44 H new ATOM 0 HB2 GLU A 77 -8.031 21.091 -2.294 1.00 0.61 H new ATOM 0 HB3 GLU A 77 -7.944 21.214 -4.040 1.00 0.61 H new ATOM 0 HG2 GLU A 77 -10.092 19.538 -2.752 1.00 1.06 H new ATOM 0 HG3 GLU A 77 -10.265 21.280 -2.827 1.00 1.06 H new ATOM 886 N GLU A 78 -8.556 17.728 -1.695 1.00 0.41 N ATOM 887 CA GLU A 78 -8.665 16.915 -0.480 1.00 0.43 C ATOM 888 C GLU A 78 -7.334 16.271 -0.100 1.00 0.38 C ATOM 889 O GLU A 78 -6.835 16.495 1.006 1.00 0.40 O ATOM 890 CB GLU A 78 -9.726 15.825 -0.643 1.00 0.51 C ATOM 891 CG GLU A 78 -11.148 16.351 -0.676 1.00 0.59 C ATOM 892 CD GLU A 78 -11.606 16.879 0.669 1.00 1.23 C ATOM 893 OE1 GLU A 78 -11.237 18.020 1.018 1.00 1.38 O ATOM 894 OE2 GLU A 78 -12.332 16.155 1.381 1.00 1.95 O ATOM 0 H GLU A 78 -9.326 17.597 -2.351 1.00 0.41 H new ATOM 0 HA GLU A 78 -8.960 17.592 0.322 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -9.531 15.276 -1.564 1.00 0.51 H new ATOM 0 HB3 GLU A 78 -9.631 15.114 0.178 1.00 0.51 H new ATOM 0 HG2 GLU A 78 -11.220 17.146 -1.418 1.00 0.59 H new ATOM 0 HG3 GLU A 78 -11.819 15.554 -0.997 1.00 0.59 H new ATOM 901 N ALA A 79 -6.747 15.495 -1.004 1.00 0.34 N ATOM 902 CA ALA A 79 -5.495 14.826 -0.691 1.00 0.32 C ATOM 903 C ALA A 79 -4.307 15.769 -0.844 1.00 0.33 C ATOM 904 O ALA A 79 -3.240 15.516 -0.291 1.00 0.38 O ATOM 905 CB ALA A 79 -5.284 13.577 -1.519 1.00 0.32 C ATOM 0 H ALA A 79 -7.110 15.317 -1.940 1.00 0.34 H new ATOM 0 HA ALA A 79 -5.564 14.519 0.353 1.00 0.32 H new ATOM 0 HB1 ALA A 79 -4.335 13.116 -1.246 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -6.096 12.875 -1.331 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -5.269 13.840 -2.577 1.00 0.32 H new ATOM 911 N VAL A 80 -4.478 16.855 -1.592 1.00 0.33 N ATOM 912 CA VAL A 80 -3.410 17.832 -1.754 1.00 0.39 C ATOM 913 C VAL A 80 -3.149 18.572 -0.443 1.00 0.45 C ATOM 914 O VAL A 80 -2.001 18.712 -0.018 1.00 0.52 O ATOM 915 CB VAL A 80 -3.725 18.835 -2.889 1.00 0.43 C ATOM 916 CG1 VAL A 80 -2.823 20.054 -2.821 1.00 0.50 C ATOM 917 CG2 VAL A 80 -3.568 18.157 -4.236 1.00 0.44 C ATOM 0 H VAL A 80 -5.339 17.078 -2.091 1.00 0.33 H new ATOM 0 HA VAL A 80 -2.507 17.288 -2.032 1.00 0.39 H new ATOM 0 HB VAL A 80 -4.755 19.169 -2.763 1.00 0.43 H new ATOM 0 HG11 VAL A 80 -3.072 20.737 -3.633 1.00 0.50 H new ATOM 0 HG12 VAL A 80 -2.965 20.559 -1.866 1.00 0.50 H new ATOM 0 HG13 VAL A 80 -1.783 19.743 -2.915 1.00 0.50 H new ATOM 0 HG21 VAL A 80 -3.791 18.869 -5.030 1.00 0.44 H new ATOM 0 HG22 VAL A 80 -2.544 17.800 -4.346 1.00 0.44 H new ATOM 0 HG23 VAL A 80 -4.255 17.314 -4.301 1.00 0.44 H new ATOM 927 N SER A 81 -4.211 19.050 0.199 1.00 0.46 N ATOM 928 CA SER A 81 -4.095 19.620 1.536 1.00 0.55 C ATOM 929 C SER A 81 -3.564 18.562 2.507 1.00 0.53 C ATOM 930 O SER A 81 -2.718 18.843 3.360 1.00 0.59 O ATOM 931 CB SER A 81 -5.455 20.147 2.010 1.00 0.59 C ATOM 932 OG SER A 81 -5.331 20.859 3.229 1.00 1.03 O ATOM 0 H SER A 81 -5.157 19.054 -0.183 1.00 0.46 H new ATOM 0 HA SER A 81 -3.395 20.455 1.506 1.00 0.55 H new ATOM 0 HB2 SER A 81 -5.882 20.798 1.247 1.00 0.59 H new ATOM 0 HB3 SER A 81 -6.146 19.314 2.141 1.00 0.59 H new ATOM 0 HG SER A 81 -6.212 21.185 3.508 1.00 1.03 H new ATOM 938 N TRP A 82 -4.115 17.360 2.392 1.00 0.46 N ATOM 939 CA TRP A 82 -3.572 16.207 3.106 1.00 0.47 C ATOM 940 C TRP A 82 -2.049 16.123 2.923 1.00 0.48 C ATOM 941 O TRP A 82 -1.319 15.939 3.894 1.00 0.52 O ATOM 942 CB TRP A 82 -4.232 14.904 2.664 1.00 0.46 C ATOM 943 CG TRP A 82 -3.387 13.706 2.963 1.00 0.42 C ATOM 944 CD1 TRP A 82 -2.851 12.848 2.052 1.00 0.42 C ATOM 945 CD2 TRP A 82 -2.946 13.258 4.252 1.00 0.42 C ATOM 946 NE1 TRP A 82 -2.108 11.893 2.691 1.00 0.41 N ATOM 947 CE2 TRP A 82 -2.150 12.117 4.039 1.00 0.40 C ATOM 948 CE3 TRP A 82 -3.146 13.702 5.564 1.00 0.46 C ATOM 949 CZ2 TRP A 82 -1.552 11.421 5.082 1.00 0.41 C ATOM 950 CZ3 TRP A 82 -2.551 13.007 6.599 1.00 0.46 C ATOM 951 CH2 TRP A 82 -1.763 11.877 6.351 1.00 0.43 C ATOM 0 H TRP A 82 -4.932 17.157 1.816 1.00 0.46 H new ATOM 0 HA TRP A 82 -3.793 16.348 4.164 1.00 0.47 H new ATOM 0 HB2 TRP A 82 -5.195 14.800 3.164 1.00 0.46 H new ATOM 0 HB3 TRP A 82 -4.432 14.946 1.593 1.00 0.46 H new ATOM 0 HD1 TRP A 82 -2.991 12.912 0.983 1.00 0.42 H new ATOM 0 HE1 TRP A 82 -1.603 11.134 2.234 1.00 0.41 H new ATOM 0 HE3 TRP A 82 -3.754 14.572 5.764 1.00 0.46 H new ATOM 0 HZ2 TRP A 82 -0.942 10.550 4.895 1.00 0.41 H new ATOM 0 HZ3 TRP A 82 -2.696 13.341 7.616 1.00 0.46 H new ATOM 0 HH2 TRP A 82 -1.312 11.355 7.182 1.00 0.43 H new ATOM 962 N GLN A 83 -1.580 16.267 1.682 1.00 0.49 N ATOM 963 CA GLN A 83 -0.148 16.273 1.386 1.00 0.55 C ATOM 964 C GLN A 83 0.572 17.332 2.216 1.00 0.60 C ATOM 965 O GLN A 83 1.649 17.082 2.755 1.00 0.61 O ATOM 966 CB GLN A 83 0.088 16.535 -0.103 1.00 0.64 C ATOM 967 CG GLN A 83 1.557 16.646 -0.483 1.00 0.84 C ATOM 968 CD GLN A 83 1.758 17.088 -1.916 1.00 1.04 C ATOM 969 OE1 GLN A 83 2.740 16.727 -2.561 1.00 1.48 O ATOM 970 NE2 GLN A 83 0.835 17.894 -2.421 1.00 0.98 N ATOM 0 H GLN A 83 -2.176 16.382 0.862 1.00 0.49 H new ATOM 0 HA GLN A 83 0.254 15.293 1.644 1.00 0.55 H new ATOM 0 HB2 GLN A 83 -0.367 15.730 -0.680 1.00 0.64 H new ATOM 0 HB3 GLN A 83 -0.421 17.457 -0.385 1.00 0.64 H new ATOM 0 HG2 GLN A 83 2.048 17.355 0.184 1.00 0.84 H new ATOM 0 HG3 GLN A 83 2.041 15.681 -0.334 1.00 0.84 H new ATOM 0 HE21 GLN A 83 0.034 18.171 -1.853 1.00 0.98 H new ATOM 0 HE22 GLN A 83 0.926 18.237 -3.377 1.00 0.98 H new ATOM 979 N GLU A 84 -0.034 18.512 2.314 1.00 0.68 N ATOM 980 CA GLU A 84 0.497 19.593 3.139 1.00 0.78 C ATOM 981 C GLU A 84 0.652 19.130 4.585 1.00 0.82 C ATOM 982 O GLU A 84 1.698 19.318 5.203 1.00 0.95 O ATOM 983 CB GLU A 84 -0.435 20.801 3.080 1.00 0.86 C ATOM 984 CG GLU A 84 -0.574 21.384 1.689 1.00 0.94 C ATOM 985 CD GLU A 84 0.600 22.254 1.299 1.00 1.25 C ATOM 986 OE1 GLU A 84 0.748 23.349 1.879 1.00 1.47 O ATOM 987 OE2 GLU A 84 1.371 21.857 0.401 1.00 1.61 O ATOM 0 H GLU A 84 -0.900 18.745 1.828 1.00 0.68 H new ATOM 0 HA GLU A 84 1.476 19.877 2.753 1.00 0.78 H new ATOM 0 HB2 GLU A 84 -1.420 20.509 3.444 1.00 0.86 H new ATOM 0 HB3 GLU A 84 -0.062 21.572 3.754 1.00 0.86 H new ATOM 0 HG2 GLU A 84 -0.675 20.573 0.968 1.00 0.94 H new ATOM 0 HG3 GLU A 84 -1.490 21.972 1.636 1.00 0.94 H new ATOM 994 N ARG A 85 -0.406 18.525 5.113 1.00 0.77 N ATOM 995 CA ARG A 85 -0.398 18.002 6.477 1.00 0.87 C ATOM 996 C ARG A 85 0.613 16.865 6.610 1.00 0.80 C ATOM 997 O ARG A 85 1.317 16.761 7.613 1.00 0.93 O ATOM 998 CB ARG A 85 -1.798 17.516 6.873 1.00 0.96 C ATOM 999 CG ARG A 85 -2.008 17.433 8.375 1.00 1.23 C ATOM 1000 CD ARG A 85 -1.928 18.812 9.007 1.00 1.45 C ATOM 1001 NE ARG A 85 -1.966 18.764 10.468 1.00 2.09 N ATOM 1002 CZ ARG A 85 -2.245 19.812 11.239 1.00 2.42 C ATOM 1003 NH1 ARG A 85 -2.624 20.965 10.699 1.00 2.45 N ATOM 1004 NH2 ARG A 85 -2.172 19.690 12.557 1.00 3.26 N ATOM 0 H ARG A 85 -1.285 18.383 4.615 1.00 0.77 H new ATOM 0 HA ARG A 85 -0.105 18.807 7.151 1.00 0.87 H new ATOM 0 HB2 ARG A 85 -2.542 18.189 6.447 1.00 0.96 H new ATOM 0 HB3 ARG A 85 -1.970 16.533 6.435 1.00 0.96 H new ATOM 0 HG2 ARG A 85 -2.980 16.987 8.587 1.00 1.23 H new ATOM 0 HG3 ARG A 85 -1.254 16.781 8.817 1.00 1.23 H new ATOM 0 HD2 ARG A 85 -1.008 19.301 8.687 1.00 1.45 H new ATOM 0 HD3 ARG A 85 -2.756 19.422 8.646 1.00 1.45 H new ATOM 0 HE ARG A 85 -1.767 17.873 10.924 1.00 2.09 H new ATOM 0 HH11 ARG A 85 -2.703 21.052 9.686 1.00 2.45 H new ATOM 0 HH12 ARG A 85 -2.836 21.763 11.298 1.00 2.45 H new ATOM 0 HH21 ARG A 85 -1.904 18.798 12.973 1.00 3.26 H new ATOM 0 HH22 ARG A 85 -2.384 20.488 13.156 1.00 3.26 H new ATOM 1018 N ARG A 86 0.665 16.010 5.595 1.00 0.71 N ATOM 1019 CA ARG A 86 1.653 14.942 5.512 1.00 0.80 C ATOM 1020 C ARG A 86 3.059 15.522 5.654 1.00 0.75 C ATOM 1021 O ARG A 86 3.854 15.059 6.470 1.00 0.78 O ATOM 1022 CB ARG A 86 1.496 14.211 4.164 1.00 0.96 C ATOM 1023 CG ARG A 86 2.413 13.011 3.949 1.00 1.18 C ATOM 1024 CD ARG A 86 2.022 11.811 4.807 1.00 1.04 C ATOM 1025 NE ARG A 86 2.311 12.042 6.225 1.00 1.92 N ATOM 1026 CZ ARG A 86 3.333 11.488 6.877 1.00 2.68 C ATOM 1027 NH1 ARG A 86 4.084 10.571 6.279 1.00 2.91 N ATOM 1028 NH2 ARG A 86 3.590 11.837 8.132 1.00 3.72 N ATOM 0 H ARG A 86 0.021 16.038 4.804 1.00 0.71 H new ATOM 0 HA ARG A 86 1.496 14.229 6.321 1.00 0.80 H new ATOM 0 HB2 ARG A 86 0.463 13.876 4.072 1.00 0.96 H new ATOM 0 HB3 ARG A 86 1.672 14.927 3.361 1.00 0.96 H new ATOM 0 HG2 ARG A 86 2.389 12.724 2.898 1.00 1.18 H new ATOM 0 HG3 ARG A 86 3.439 13.297 4.178 1.00 1.18 H new ATOM 0 HD2 ARG A 86 0.959 11.604 4.681 1.00 1.04 H new ATOM 0 HD3 ARG A 86 2.561 10.928 4.465 1.00 1.04 H new ATOM 0 HE ARG A 86 1.692 12.665 6.745 1.00 1.92 H new ATOM 0 HH11 ARG A 86 3.879 10.290 5.320 1.00 2.91 H new ATOM 0 HH12 ARG A 86 4.866 10.147 6.778 1.00 2.91 H new ATOM 0 HH21 ARG A 86 3.005 12.530 8.599 1.00 3.72 H new ATOM 0 HH22 ARG A 86 4.372 11.412 8.629 1.00 3.72 H new ATOM 1042 N MET A 87 3.349 16.532 4.840 1.00 0.77 N ATOM 1043 CA MET A 87 4.624 17.246 4.901 1.00 0.89 C ATOM 1044 C MET A 87 4.868 17.870 6.275 1.00 0.93 C ATOM 1045 O MET A 87 5.979 17.808 6.799 1.00 1.01 O ATOM 1046 CB MET A 87 4.687 18.332 3.822 1.00 1.11 C ATOM 1047 CG MET A 87 4.756 17.798 2.397 1.00 1.21 C ATOM 1048 SD MET A 87 6.421 17.316 1.876 1.00 1.69 S ATOM 1049 CE MET A 87 6.725 15.836 2.840 1.00 1.11 C ATOM 0 H MET A 87 2.712 16.879 4.123 1.00 0.77 H new ATOM 0 HA MET A 87 5.409 16.511 4.722 1.00 0.89 H new ATOM 0 HB2 MET A 87 3.809 18.972 3.916 1.00 1.11 H new ATOM 0 HB3 MET A 87 5.560 18.959 4.005 1.00 1.11 H new ATOM 0 HG2 MET A 87 4.095 16.936 2.310 1.00 1.21 H new ATOM 0 HG3 MET A 87 4.378 18.560 1.715 1.00 1.21 H new ATOM 0 HE1 MET A 87 7.433 15.197 2.312 1.00 1.11 H new ATOM 0 HE2 MET A 87 7.139 16.112 3.810 1.00 1.11 H new ATOM 0 HE3 MET A 87 5.788 15.298 2.985 1.00 1.11 H new ATOM 1059 N ALA A 88 3.835 18.474 6.854 1.00 0.97 N ATOM 1060 CA ALA A 88 3.947 19.091 8.174 1.00 1.13 C ATOM 1061 C ALA A 88 4.331 18.075 9.252 1.00 1.14 C ATOM 1062 O ALA A 88 4.877 18.440 10.292 1.00 1.29 O ATOM 1063 CB ALA A 88 2.643 19.779 8.548 1.00 1.32 C ATOM 0 H ALA A 88 2.910 18.550 6.431 1.00 0.97 H new ATOM 0 HA ALA A 88 4.745 19.831 8.119 1.00 1.13 H new ATOM 0 HB1 ALA A 88 2.741 20.234 9.534 1.00 1.32 H new ATOM 0 HB2 ALA A 88 2.415 20.551 7.813 1.00 1.32 H new ATOM 0 HB3 ALA A 88 1.837 19.046 8.566 1.00 1.32 H new ATOM 1069 N ALA A 89 4.039 16.803 9.004 1.00 1.05 N ATOM 1070 CA ALA A 89 4.366 15.748 9.956 1.00 1.18 C ATOM 1071 C ALA A 89 5.644 15.024 9.541 1.00 1.20 C ATOM 1072 O ALA A 89 6.080 14.075 10.193 1.00 1.45 O ATOM 1073 CB ALA A 89 3.205 14.768 10.076 1.00 1.25 C ATOM 0 H ALA A 89 3.578 16.478 8.154 1.00 1.05 H new ATOM 0 HA ALA A 89 4.538 16.202 10.932 1.00 1.18 H new ATOM 0 HB1 ALA A 89 3.462 13.985 10.790 1.00 1.25 H new ATOM 0 HB2 ALA A 89 2.317 15.297 10.421 1.00 1.25 H new ATOM 0 HB3 ALA A 89 3.005 14.320 9.103 1.00 1.25 H new ATOM 1079 N ALA A 90 6.240 15.483 8.452 1.00 1.01 N ATOM 1080 CA ALA A 90 7.448 14.879 7.918 1.00 1.10 C ATOM 1081 C ALA A 90 8.676 15.686 8.327 1.00 1.12 C ATOM 1082 O ALA A 90 8.557 16.841 8.742 1.00 1.00 O ATOM 1083 CB ALA A 90 7.350 14.786 6.402 1.00 1.05 C ATOM 0 H ALA A 90 5.901 16.282 7.916 1.00 1.01 H new ATOM 0 HA ALA A 90 7.552 13.874 8.328 1.00 1.10 H new ATOM 0 HB1 ALA A 90 8.258 14.332 6.006 1.00 1.05 H new ATOM 0 HB2 ALA A 90 6.490 14.174 6.130 1.00 1.05 H new ATOM 0 HB3 ALA A 90 7.231 15.785 5.983 1.00 1.05 H new ATOM 1089 N PRO A 91 9.870 15.073 8.256 1.00 1.40 N ATOM 1090 CA PRO A 91 11.132 15.767 8.524 1.00 1.57 C ATOM 1091 C PRO A 91 11.421 16.848 7.482 1.00 1.45 C ATOM 1092 O PRO A 91 11.279 16.614 6.278 1.00 1.42 O ATOM 1093 CB PRO A 91 12.191 14.656 8.438 1.00 1.91 C ATOM 1094 CG PRO A 91 11.433 13.378 8.533 1.00 1.96 C ATOM 1095 CD PRO A 91 10.089 13.655 7.934 1.00 1.67 C ATOM 0 HA PRO A 91 11.115 16.279 9.486 1.00 1.57 H new ATOM 0 HB2 PRO A 91 12.746 14.715 7.502 1.00 1.91 H new ATOM 0 HB3 PRO A 91 12.918 14.743 9.246 1.00 1.91 H new ATOM 0 HG2 PRO A 91 11.944 12.580 7.995 1.00 1.96 H new ATOM 0 HG3 PRO A 91 11.340 13.055 9.570 1.00 1.96 H new ATOM 0 HD2 PRO A 91 10.083 13.480 6.858 1.00 1.67 H new ATOM 0 HD3 PRO A 91 9.316 13.019 8.365 1.00 1.67 H new ATOM 1103 N PRO A 92 11.815 18.049 7.934 1.00 1.56 N ATOM 1104 CA PRO A 92 12.152 19.159 7.039 1.00 1.67 C ATOM 1105 C PRO A 92 13.326 18.815 6.130 1.00 1.87 C ATOM 1106 O PRO A 92 14.410 18.472 6.602 1.00 2.74 O ATOM 1107 CB PRO A 92 12.526 20.302 7.992 1.00 1.98 C ATOM 1108 CG PRO A 92 12.829 19.645 9.296 1.00 2.05 C ATOM 1109 CD PRO A 92 11.964 18.417 9.352 1.00 1.77 C ATOM 0 HA PRO A 92 11.328 19.410 6.371 1.00 1.67 H new ATOM 0 HB2 PRO A 92 13.388 20.857 7.622 1.00 1.98 H new ATOM 0 HB3 PRO A 92 11.707 21.015 8.092 1.00 1.98 H new ATOM 0 HG2 PRO A 92 13.885 19.382 9.364 1.00 2.05 H new ATOM 0 HG3 PRO A 92 12.612 20.313 10.129 1.00 2.05 H new ATOM 0 HD2 PRO A 92 12.433 17.619 9.928 1.00 1.77 H new ATOM 0 HD3 PRO A 92 11.001 18.623 9.818 1.00 1.77 H new ATOM 1117 N GLY A 93 13.103 18.898 4.827 1.00 1.48 N ATOM 1118 CA GLY A 93 14.130 18.542 3.871 1.00 1.64 C ATOM 1119 C GLY A 93 13.764 17.303 3.080 1.00 1.50 C ATOM 1120 O GLY A 93 14.438 16.951 2.111 1.00 1.68 O ATOM 0 H GLY A 93 12.224 19.207 4.413 1.00 1.48 H new ATOM 0 HA2 GLY A 93 14.292 19.374 3.186 1.00 1.64 H new ATOM 0 HA3 GLY A 93 15.070 18.373 4.395 1.00 1.64 H new ATOM 1124 N CYS A 94 12.694 16.642 3.495 1.00 1.28 N ATOM 1125 CA CYS A 94 12.224 15.447 2.811 1.00 1.27 C ATOM 1126 C CYS A 94 11.117 15.796 1.821 1.00 1.14 C ATOM 1127 O CYS A 94 10.138 16.456 2.176 1.00 1.17 O ATOM 1128 CB CYS A 94 11.721 14.422 3.831 1.00 1.33 C ATOM 1129 SG CYS A 94 12.973 13.913 5.037 1.00 2.34 S ATOM 0 H CYS A 94 12.134 16.913 4.303 1.00 1.28 H new ATOM 0 HA CYS A 94 13.056 15.014 2.256 1.00 1.27 H new ATOM 0 HB2 CYS A 94 10.867 14.842 4.363 1.00 1.33 H new ATOM 0 HB3 CYS A 94 11.363 13.540 3.299 1.00 1.33 H new ATOM 0 HG CYS A 94 12.457 13.048 5.859 1.00 2.34 H new ATOM 1135 N THR A 95 11.290 15.364 0.579 1.00 1.27 N ATOM 1136 CA THR A 95 10.302 15.590 -0.464 1.00 1.33 C ATOM 1137 C THR A 95 9.061 14.727 -0.237 1.00 0.96 C ATOM 1138 O THR A 95 9.147 13.639 0.337 1.00 0.86 O ATOM 1139 CB THR A 95 10.897 15.284 -1.852 1.00 1.73 C ATOM 1140 OG1 THR A 95 11.635 14.053 -1.810 1.00 1.72 O ATOM 1141 CG2 THR A 95 11.804 16.414 -2.315 1.00 2.23 C ATOM 0 H THR A 95 12.115 14.850 0.269 1.00 1.27 H new ATOM 0 HA THR A 95 10.012 16.640 -0.424 1.00 1.33 H new ATOM 0 HB THR A 95 10.075 15.189 -2.562 1.00 1.73 H new ATOM 0 HG1 THR A 95 12.008 13.865 -2.696 1.00 1.72 H new ATOM 0 HG21 THR A 95 12.212 16.174 -3.297 1.00 2.23 H new ATOM 0 HG22 THR A 95 11.231 17.339 -2.376 1.00 2.23 H new ATOM 0 HG23 THR A 95 12.621 16.540 -1.604 1.00 2.23 H new ATOM 1149 N PRO A 96 7.889 15.217 -0.665 1.00 0.93 N ATOM 1150 CA PRO A 96 6.623 14.497 -0.503 1.00 0.76 C ATOM 1151 C PRO A 96 6.586 13.185 -1.284 1.00 0.61 C ATOM 1152 O PRO A 96 7.168 13.077 -2.365 1.00 0.71 O ATOM 1153 CB PRO A 96 5.577 15.473 -1.052 1.00 1.07 C ATOM 1154 CG PRO A 96 6.334 16.404 -1.932 1.00 1.30 C ATOM 1155 CD PRO A 96 7.703 16.518 -1.331 1.00 1.27 C ATOM 0 HA PRO A 96 6.457 14.212 0.536 1.00 0.76 H new ATOM 0 HB2 PRO A 96 4.802 14.947 -1.610 1.00 1.07 H new ATOM 0 HB3 PRO A 96 5.079 16.011 -0.245 1.00 1.07 H new ATOM 0 HG2 PRO A 96 6.386 16.022 -2.952 1.00 1.30 H new ATOM 0 HG3 PRO A 96 5.847 17.378 -1.981 1.00 1.30 H new ATOM 0 HD2 PRO A 96 8.463 16.693 -2.092 1.00 1.27 H new ATOM 0 HD3 PRO A 96 7.764 17.345 -0.623 1.00 1.27 H new ATOM 1163 N PRO A 97 5.918 12.163 -0.716 1.00 0.50 N ATOM 1164 CA PRO A 97 5.676 10.879 -1.393 1.00 0.46 C ATOM 1165 C PRO A 97 4.816 11.031 -2.651 1.00 0.45 C ATOM 1166 O PRO A 97 4.691 12.121 -3.205 1.00 0.68 O ATOM 1167 CB PRO A 97 4.914 10.063 -0.343 1.00 0.59 C ATOM 1168 CG PRO A 97 4.372 11.062 0.615 1.00 0.69 C ATOM 1169 CD PRO A 97 5.371 12.174 0.647 1.00 0.64 C ATOM 0 HA PRO A 97 6.606 10.422 -1.730 1.00 0.46 H new ATOM 0 HB2 PRO A 97 4.113 9.483 -0.801 1.00 0.59 H new ATOM 0 HB3 PRO A 97 5.573 9.355 0.159 1.00 0.59 H new ATOM 0 HG2 PRO A 97 3.395 11.423 0.294 1.00 0.69 H new ATOM 0 HG3 PRO A 97 4.241 10.625 1.605 1.00 0.69 H new ATOM 0 HD2 PRO A 97 4.905 13.129 0.887 1.00 0.64 H new ATOM 0 HD3 PRO A 97 6.145 12.000 1.394 1.00 0.64 H new ATOM 1177 N ALA A 98 4.194 9.942 -3.086 1.00 0.44 N ATOM 1178 CA ALA A 98 3.348 9.983 -4.267 1.00 0.44 C ATOM 1179 C ALA A 98 1.939 10.366 -3.856 1.00 0.38 C ATOM 1180 O ALA A 98 1.354 9.725 -2.979 1.00 0.39 O ATOM 1181 CB ALA A 98 3.341 8.632 -4.971 1.00 0.54 C ATOM 0 H ALA A 98 4.260 9.027 -2.641 1.00 0.44 H new ATOM 0 HA ALA A 98 3.741 10.724 -4.962 1.00 0.44 H new ATOM 0 HB1 ALA A 98 2.702 8.684 -5.852 1.00 0.54 H new ATOM 0 HB2 ALA A 98 4.356 8.374 -5.274 1.00 0.54 H new ATOM 0 HB3 ALA A 98 2.960 7.870 -4.291 1.00 0.54 H new ATOM 1187 N LEU A 99 1.401 11.413 -4.460 1.00 0.45 N ATOM 1188 CA LEU A 99 0.057 11.849 -4.135 1.00 0.44 C ATOM 1189 C LEU A 99 -0.912 11.353 -5.193 1.00 0.44 C ATOM 1190 O LEU A 99 -0.778 11.672 -6.379 1.00 0.61 O ATOM 1191 CB LEU A 99 -0.015 13.370 -4.008 1.00 0.52 C ATOM 1192 CG LEU A 99 -1.261 13.895 -3.294 1.00 0.41 C ATOM 1193 CD1 LEU A 99 -1.294 13.395 -1.856 1.00 0.46 C ATOM 1194 CD2 LEU A 99 -1.291 15.413 -3.333 1.00 0.46 C ATOM 0 H LEU A 99 1.871 11.972 -5.172 1.00 0.45 H new ATOM 0 HA LEU A 99 -0.221 11.425 -3.170 1.00 0.44 H new ATOM 0 HB2 LEU A 99 0.868 13.718 -3.472 1.00 0.52 H new ATOM 0 HB3 LEU A 99 0.026 13.806 -5.006 1.00 0.52 H new ATOM 0 HG LEU A 99 -2.145 13.520 -3.810 1.00 0.41 H new ATOM 0 HD11 LEU A 99 -2.186 13.776 -1.359 1.00 0.46 H new ATOM 0 HD12 LEU A 99 -1.313 12.305 -1.850 1.00 0.46 H new ATOM 0 HD13 LEU A 99 -0.407 13.746 -1.328 1.00 0.46 H new ATOM 0 HD21 LEU A 99 -2.184 15.773 -2.821 1.00 0.46 H new ATOM 0 HD22 LEU A 99 -0.404 15.807 -2.837 1.00 0.46 H new ATOM 0 HD23 LEU A 99 -1.307 15.750 -4.369 1.00 0.46 H new ATOM 1206 N LEU A 100 -1.877 10.571 -4.745 1.00 0.44 N ATOM 1207 CA LEU A 100 -2.820 9.893 -5.614 1.00 0.39 C ATOM 1208 C LEU A 100 -3.879 9.243 -4.740 1.00 0.44 C ATOM 1209 O LEU A 100 -3.897 9.476 -3.530 1.00 0.66 O ATOM 1210 CB LEU A 100 -2.091 8.869 -6.502 1.00 0.53 C ATOM 1211 CG LEU A 100 -0.925 8.126 -5.836 1.00 0.54 C ATOM 1212 CD1 LEU A 100 -1.387 6.840 -5.178 1.00 0.79 C ATOM 1213 CD2 LEU A 100 0.173 7.839 -6.843 1.00 0.98 C ATOM 0 H LEU A 100 -2.029 10.387 -3.753 1.00 0.44 H new ATOM 0 HA LEU A 100 -3.302 10.600 -6.289 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -2.817 8.133 -6.848 1.00 0.53 H new ATOM 0 HB3 LEU A 100 -1.713 9.384 -7.385 1.00 0.53 H new ATOM 0 HG LEU A 100 -0.525 8.775 -5.057 1.00 0.54 H new ATOM 0 HD11 LEU A 100 -0.535 6.341 -4.717 1.00 0.79 H new ATOM 0 HD12 LEU A 100 -2.130 7.069 -4.414 1.00 0.79 H new ATOM 0 HD13 LEU A 100 -1.828 6.185 -5.929 1.00 0.79 H new ATOM 0 HD21 LEU A 100 0.990 7.312 -6.350 1.00 0.98 H new ATOM 0 HD22 LEU A 100 -0.224 7.221 -7.648 1.00 0.98 H new ATOM 0 HD23 LEU A 100 0.543 8.778 -7.255 1.00 0.98 H new ATOM 1225 N ASP A 101 -4.757 8.441 -5.315 1.00 0.41 N ATOM 1226 CA ASP A 101 -5.856 7.894 -4.542 1.00 0.44 C ATOM 1227 C ASP A 101 -5.839 6.367 -4.569 1.00 0.40 C ATOM 1228 O ASP A 101 -5.078 5.752 -5.317 1.00 0.47 O ATOM 1229 CB ASP A 101 -7.191 8.428 -5.070 1.00 0.52 C ATOM 1230 CG ASP A 101 -7.704 7.659 -6.268 1.00 1.03 C ATOM 1231 OD1 ASP A 101 -6.977 7.551 -7.273 1.00 1.25 O ATOM 1232 OD2 ASP A 101 -8.846 7.156 -6.206 1.00 1.92 O ATOM 0 H ASP A 101 -4.733 8.158 -6.295 1.00 0.41 H new ATOM 0 HA ASP A 101 -5.737 8.211 -3.506 1.00 0.44 H new ATOM 0 HB2 ASP A 101 -7.933 8.386 -4.273 1.00 0.52 H new ATOM 0 HB3 ASP A 101 -7.074 9.477 -5.342 1.00 0.52 H new ATOM 1237 N ILE A 102 -6.674 5.781 -3.711 1.00 0.46 N ATOM 1238 CA ILE A 102 -6.782 4.328 -3.539 1.00 0.42 C ATOM 1239 C ILE A 102 -7.009 3.576 -4.859 1.00 0.46 C ATOM 1240 O ILE A 102 -6.817 2.359 -4.925 1.00 0.77 O ATOM 1241 CB ILE A 102 -7.924 3.997 -2.539 1.00 0.41 C ATOM 1242 CG1 ILE A 102 -8.008 2.499 -2.257 1.00 0.42 C ATOM 1243 CG2 ILE A 102 -9.259 4.501 -3.061 1.00 0.45 C ATOM 1244 CD1 ILE A 102 -6.774 1.945 -1.592 1.00 0.44 C ATOM 0 H ILE A 102 -7.304 6.308 -3.106 1.00 0.46 H new ATOM 0 HA ILE A 102 -5.824 3.987 -3.145 1.00 0.42 H new ATOM 0 HB ILE A 102 -7.692 4.506 -1.603 1.00 0.41 H new ATOM 0 HG12 ILE A 102 -8.872 2.304 -1.622 1.00 0.42 H new ATOM 0 HG13 ILE A 102 -8.175 1.969 -3.195 1.00 0.42 H new ATOM 0 HG21 ILE A 102 -10.045 4.259 -2.345 1.00 0.45 H new ATOM 0 HG22 ILE A 102 -9.212 5.582 -3.196 1.00 0.45 H new ATOM 0 HG23 ILE A 102 -9.479 4.025 -4.016 1.00 0.45 H new ATOM 0 HD11 ILE A 102 -6.902 0.876 -1.421 1.00 0.44 H new ATOM 0 HD12 ILE A 102 -5.909 2.109 -2.235 1.00 0.44 H new ATOM 0 HD13 ILE A 102 -6.617 2.449 -0.638 1.00 0.44 H new ATOM 1256 N SER A 103 -7.370 4.292 -5.912 1.00 0.42 N ATOM 1257 CA SER A 103 -7.631 3.660 -7.200 1.00 0.51 C ATOM 1258 C SER A 103 -6.352 3.082 -7.805 1.00 0.48 C ATOM 1259 O SER A 103 -6.404 2.140 -8.596 1.00 0.58 O ATOM 1260 CB SER A 103 -8.281 4.647 -8.165 1.00 0.66 C ATOM 1261 OG SER A 103 -9.514 5.115 -7.646 1.00 1.46 O ATOM 0 H SER A 103 -7.489 5.305 -5.903 1.00 0.42 H new ATOM 0 HA SER A 103 -8.323 2.836 -7.030 1.00 0.51 H new ATOM 0 HB2 SER A 103 -7.611 5.489 -8.339 1.00 0.66 H new ATOM 0 HB3 SER A 103 -8.445 4.166 -9.129 1.00 0.66 H new ATOM 0 HG SER A 103 -9.348 5.655 -6.845 1.00 1.46 H new ATOM 1267 N TRP A 104 -5.206 3.640 -7.426 1.00 0.38 N ATOM 1268 CA TRP A 104 -3.921 3.087 -7.842 1.00 0.36 C ATOM 1269 C TRP A 104 -3.724 1.708 -7.231 1.00 0.34 C ATOM 1270 O TRP A 104 -3.240 0.786 -7.889 1.00 0.35 O ATOM 1271 CB TRP A 104 -2.758 4.008 -7.424 1.00 0.34 C ATOM 1272 CG TRP A 104 -1.413 3.319 -7.400 1.00 0.32 C ATOM 1273 CD1 TRP A 104 -0.552 3.140 -8.448 1.00 0.34 C ATOM 1274 CD2 TRP A 104 -0.781 2.709 -6.263 1.00 0.31 C ATOM 1275 NE1 TRP A 104 0.568 2.452 -8.029 1.00 0.34 N ATOM 1276 CE2 TRP A 104 0.447 2.176 -6.698 1.00 0.32 C ATOM 1277 CE3 TRP A 104 -1.138 2.559 -4.920 1.00 0.30 C ATOM 1278 CZ2 TRP A 104 1.316 1.506 -5.841 1.00 0.33 C ATOM 1279 CZ3 TRP A 104 -0.274 1.895 -4.072 1.00 0.31 C ATOM 1280 CH2 TRP A 104 0.939 1.375 -4.534 1.00 0.32 C ATOM 0 H TRP A 104 -5.140 4.469 -6.836 1.00 0.38 H new ATOM 0 HA TRP A 104 -3.925 3.008 -8.929 1.00 0.36 H new ATOM 0 HB2 TRP A 104 -2.711 4.853 -8.111 1.00 0.34 H new ATOM 0 HB3 TRP A 104 -2.966 4.414 -6.434 1.00 0.34 H new ATOM 0 HD1 TRP A 104 -0.724 3.487 -9.456 1.00 0.34 H new ATOM 0 HE1 TRP A 104 1.359 2.192 -8.619 1.00 0.34 H new ATOM 0 HE3 TRP A 104 -2.073 2.955 -4.552 1.00 0.30 H new ATOM 0 HZ2 TRP A 104 2.254 1.105 -6.196 1.00 0.33 H new ATOM 0 HZ3 TRP A 104 -0.540 1.775 -3.032 1.00 0.31 H new ATOM 0 HH2 TRP A 104 1.591 0.860 -3.844 1.00 0.32 H new ATOM 1291 N LEU A 105 -4.142 1.564 -5.982 1.00 0.34 N ATOM 1292 CA LEU A 105 -3.807 0.386 -5.205 1.00 0.32 C ATOM 1293 C LEU A 105 -4.602 -0.825 -5.656 1.00 0.31 C ATOM 1294 O LEU A 105 -4.049 -1.904 -5.802 1.00 0.34 O ATOM 1295 CB LEU A 105 -4.023 0.640 -3.713 1.00 0.33 C ATOM 1296 CG LEU A 105 -3.543 -0.487 -2.796 1.00 0.32 C ATOM 1297 CD1 LEU A 105 -2.119 -0.889 -3.151 1.00 0.34 C ATOM 1298 CD2 LEU A 105 -3.625 -0.051 -1.344 1.00 0.35 C ATOM 0 H LEU A 105 -4.713 2.249 -5.488 1.00 0.34 H new ATOM 0 HA LEU A 105 -2.751 0.174 -5.373 1.00 0.32 H new ATOM 0 HB2 LEU A 105 -3.507 1.559 -3.437 1.00 0.33 H new ATOM 0 HB3 LEU A 105 -5.086 0.806 -3.537 1.00 0.33 H new ATOM 0 HG LEU A 105 -4.190 -1.352 -2.937 1.00 0.32 H new ATOM 0 HD11 LEU A 105 -1.792 -1.692 -2.490 1.00 0.34 H new ATOM 0 HD12 LEU A 105 -2.085 -1.234 -4.185 1.00 0.34 H new ATOM 0 HD13 LEU A 105 -1.458 -0.030 -3.033 1.00 0.34 H new ATOM 0 HD21 LEU A 105 -3.281 -0.861 -0.701 1.00 0.35 H new ATOM 0 HD22 LEU A 105 -2.996 0.826 -1.191 1.00 0.35 H new ATOM 0 HD23 LEU A 105 -4.657 0.196 -1.096 1.00 0.35 H new ATOM 1310 N THR A 106 -5.884 -0.647 -5.895 1.00 0.35 N ATOM 1311 CA THR A 106 -6.736 -1.757 -6.281 1.00 0.37 C ATOM 1312 C THR A 106 -6.250 -2.415 -7.579 1.00 0.36 C ATOM 1313 O THR A 106 -6.063 -3.634 -7.636 1.00 0.47 O ATOM 1314 CB THR A 106 -8.188 -1.278 -6.417 1.00 0.47 C ATOM 1315 OG1 THR A 106 -8.207 0.054 -6.952 1.00 0.50 O ATOM 1316 CG2 THR A 106 -8.880 -1.295 -5.061 1.00 0.59 C ATOM 0 H THR A 106 -6.360 0.253 -5.830 1.00 0.35 H new ATOM 0 HA THR A 106 -6.687 -2.515 -5.499 1.00 0.37 H new ATOM 0 HB THR A 106 -8.719 -1.950 -7.091 1.00 0.47 H new ATOM 0 HG1 THR A 106 -9.134 0.358 -7.040 1.00 0.50 H new ATOM 0 HG21 THR A 106 -9.909 -0.953 -5.173 1.00 0.59 H new ATOM 0 HG22 THR A 106 -8.876 -2.310 -4.663 1.00 0.59 H new ATOM 0 HG23 THR A 106 -8.351 -0.634 -4.374 1.00 0.59 H new ATOM 1324 N GLU A 107 -6.051 -1.603 -8.612 1.00 0.38 N ATOM 1325 CA GLU A 107 -5.490 -2.075 -9.879 1.00 0.39 C ATOM 1326 C GLU A 107 -4.080 -2.661 -9.714 1.00 0.33 C ATOM 1327 O GLU A 107 -3.798 -3.752 -10.214 1.00 0.43 O ATOM 1328 CB GLU A 107 -5.495 -0.922 -10.888 1.00 0.46 C ATOM 1329 CG GLU A 107 -6.903 -0.505 -11.296 1.00 0.53 C ATOM 1330 CD GLU A 107 -6.963 0.846 -11.977 1.00 0.83 C ATOM 1331 OE1 GLU A 107 -6.354 1.009 -13.055 1.00 0.95 O ATOM 1332 OE2 GLU A 107 -7.637 1.755 -11.439 1.00 1.51 O ATOM 0 H GLU A 107 -6.271 -0.607 -8.599 1.00 0.38 H new ATOM 0 HA GLU A 107 -6.114 -2.889 -10.248 1.00 0.39 H new ATOM 0 HB2 GLU A 107 -4.977 -0.065 -10.457 1.00 0.46 H new ATOM 0 HB3 GLU A 107 -4.937 -1.219 -11.776 1.00 0.46 H new ATOM 0 HG2 GLU A 107 -7.316 -1.259 -11.966 1.00 0.53 H new ATOM 0 HG3 GLU A 107 -7.538 -0.484 -10.410 1.00 0.53 H new ATOM 1339 N SER A 108 -3.192 -1.929 -9.038 1.00 0.35 N ATOM 1340 CA SER A 108 -1.838 -2.436 -8.775 1.00 0.36 C ATOM 1341 C SER A 108 -1.884 -3.796 -8.065 1.00 0.38 C ATOM 1342 O SER A 108 -1.110 -4.697 -8.392 1.00 0.46 O ATOM 1343 CB SER A 108 -0.995 -1.430 -7.977 1.00 0.45 C ATOM 1344 OG SER A 108 -1.637 -1.041 -6.784 1.00 0.88 O ATOM 0 H SER A 108 -3.379 -0.997 -8.667 1.00 0.35 H new ATOM 0 HA SER A 108 -1.353 -2.573 -9.742 1.00 0.36 H new ATOM 0 HB2 SER A 108 -0.027 -1.872 -7.742 1.00 0.45 H new ATOM 0 HB3 SER A 108 -0.802 -0.550 -8.590 1.00 0.45 H new ATOM 0 HG SER A 108 -2.510 -1.482 -6.723 1.00 0.88 H new ATOM 1350 N LEU A 109 -2.790 -3.940 -7.097 1.00 0.36 N ATOM 1351 CA LEU A 109 -3.045 -5.233 -6.455 1.00 0.43 C ATOM 1352 C LEU A 109 -3.400 -6.297 -7.485 1.00 0.52 C ATOM 1353 O LEU A 109 -2.930 -7.434 -7.411 1.00 0.75 O ATOM 1354 CB LEU A 109 -4.179 -5.135 -5.441 1.00 0.40 C ATOM 1355 CG LEU A 109 -3.904 -4.242 -4.236 1.00 0.47 C ATOM 1356 CD1 LEU A 109 -4.930 -4.502 -3.159 1.00 0.71 C ATOM 1357 CD2 LEU A 109 -2.502 -4.465 -3.702 1.00 0.86 C ATOM 0 H LEU A 109 -3.362 -3.175 -6.738 1.00 0.36 H new ATOM 0 HA LEU A 109 -2.126 -5.516 -5.941 1.00 0.43 H new ATOM 0 HB2 LEU A 109 -5.068 -4.765 -5.951 1.00 0.40 H new ATOM 0 HB3 LEU A 109 -4.411 -6.138 -5.083 1.00 0.40 H new ATOM 0 HG LEU A 109 -3.978 -3.202 -4.552 1.00 0.47 H new ATOM 0 HD11 LEU A 109 -4.728 -3.861 -2.301 1.00 0.71 H new ATOM 0 HD12 LEU A 109 -5.926 -4.287 -3.546 1.00 0.71 H new ATOM 0 HD13 LEU A 109 -4.878 -5.546 -2.851 1.00 0.71 H new ATOM 0 HD21 LEU A 109 -2.332 -3.816 -2.843 1.00 0.86 H new ATOM 0 HD22 LEU A 109 -2.390 -5.506 -3.398 1.00 0.86 H new ATOM 0 HD23 LEU A 109 -1.775 -4.234 -4.481 1.00 0.86 H new ATOM 1369 N GLY A 110 -4.245 -5.919 -8.438 1.00 0.48 N ATOM 1370 CA GLY A 110 -4.665 -6.836 -9.481 1.00 0.62 C ATOM 1371 C GLY A 110 -3.495 -7.326 -10.307 1.00 0.67 C ATOM 1372 O GLY A 110 -3.350 -8.529 -10.533 1.00 0.96 O ATOM 0 H GLY A 110 -4.650 -4.985 -8.506 1.00 0.48 H new ATOM 0 HA2 GLY A 110 -5.174 -7.688 -9.031 1.00 0.62 H new ATOM 0 HA3 GLY A 110 -5.386 -6.341 -10.131 1.00 0.62 H new ATOM 1376 N ALA A 111 -2.661 -6.396 -10.750 1.00 0.47 N ATOM 1377 CA ALA A 111 -1.458 -6.738 -11.496 1.00 0.53 C ATOM 1378 C ALA A 111 -0.452 -7.474 -10.614 1.00 0.59 C ATOM 1379 O ALA A 111 0.377 -8.241 -11.101 1.00 0.71 O ATOM 1380 CB ALA A 111 -0.826 -5.486 -12.084 1.00 0.48 C ATOM 0 H ALA A 111 -2.796 -5.395 -10.605 1.00 0.47 H new ATOM 0 HA ALA A 111 -1.745 -7.404 -12.309 1.00 0.53 H new ATOM 0 HB1 ALA A 111 0.072 -5.758 -12.639 1.00 0.48 H new ATOM 0 HB2 ALA A 111 -1.535 -5.002 -12.756 1.00 0.48 H new ATOM 0 HB3 ALA A 111 -0.562 -4.800 -11.280 1.00 0.48 H new ATOM 1386 N GLY A 112 -0.537 -7.231 -9.311 1.00 0.53 N ATOM 1387 CA GLY A 112 0.317 -7.912 -8.359 1.00 0.60 C ATOM 1388 C GLY A 112 1.663 -7.241 -8.203 1.00 0.58 C ATOM 1389 O GLY A 112 2.605 -7.838 -7.688 1.00 0.66 O ATOM 0 H GLY A 112 -1.190 -6.567 -8.895 1.00 0.53 H new ATOM 0 HA2 GLY A 112 -0.181 -7.948 -7.390 1.00 0.60 H new ATOM 0 HA3 GLY A 112 0.464 -8.943 -8.681 1.00 0.60 H new ATOM 1393 N GLN A 113 1.750 -5.996 -8.643 1.00 0.52 N ATOM 1394 CA GLN A 113 3.001 -5.255 -8.615 1.00 0.54 C ATOM 1395 C GLN A 113 2.732 -3.760 -8.746 1.00 0.50 C ATOM 1396 O GLN A 113 1.709 -3.357 -9.302 1.00 0.48 O ATOM 1397 CB GLN A 113 3.939 -5.758 -9.721 1.00 0.60 C ATOM 1398 CG GLN A 113 3.254 -5.994 -11.055 1.00 0.61 C ATOM 1399 CD GLN A 113 3.537 -4.907 -12.068 1.00 0.81 C ATOM 1400 OE1 GLN A 113 3.739 -3.743 -11.724 1.00 1.45 O ATOM 1401 NE2 GLN A 113 3.575 -5.295 -13.327 1.00 0.87 N ATOM 0 H GLN A 113 0.962 -5.474 -9.027 1.00 0.52 H new ATOM 0 HA GLN A 113 3.495 -5.421 -7.657 1.00 0.54 H new ATOM 0 HB2 GLN A 113 4.741 -5.033 -9.860 1.00 0.60 H new ATOM 0 HB3 GLN A 113 4.403 -6.688 -9.394 1.00 0.60 H new ATOM 0 HG2 GLN A 113 3.579 -6.953 -11.459 1.00 0.61 H new ATOM 0 HG3 GLN A 113 2.178 -6.064 -10.897 1.00 0.61 H new ATOM 0 HE21 GLN A 113 3.401 -6.271 -13.565 1.00 0.87 H new ATOM 0 HE22 GLN A 113 3.779 -4.619 -14.063 1.00 0.87 H new ATOM 1410 N PRO A 114 3.635 -2.920 -8.199 1.00 0.53 N ATOM 1411 CA PRO A 114 3.454 -1.465 -8.176 1.00 0.52 C ATOM 1412 C PRO A 114 3.521 -0.830 -9.558 1.00 0.54 C ATOM 1413 O PRO A 114 4.574 -0.357 -9.993 1.00 0.62 O ATOM 1414 CB PRO A 114 4.603 -0.961 -7.298 1.00 0.57 C ATOM 1415 CG PRO A 114 5.633 -2.035 -7.337 1.00 0.68 C ATOM 1416 CD PRO A 114 4.897 -3.332 -7.551 1.00 0.60 C ATOM 0 HA PRO A 114 2.466 -1.200 -7.799 1.00 0.52 H new ATOM 0 HB2 PRO A 114 5.002 -0.020 -7.676 1.00 0.57 H new ATOM 0 HB3 PRO A 114 4.266 -0.777 -6.278 1.00 0.57 H new ATOM 0 HG2 PRO A 114 6.347 -1.858 -8.141 1.00 0.68 H new ATOM 0 HG3 PRO A 114 6.201 -2.061 -6.407 1.00 0.68 H new ATOM 0 HD2 PRO A 114 5.466 -4.015 -8.182 1.00 0.60 H new ATOM 0 HD3 PRO A 114 4.713 -3.847 -6.608 1.00 0.60 H new ATOM 1424 N VAL A 115 2.389 -0.830 -10.241 1.00 0.51 N ATOM 1425 CA VAL A 115 2.266 -0.197 -11.543 1.00 0.53 C ATOM 1426 C VAL A 115 2.536 1.305 -11.448 1.00 0.49 C ATOM 1427 O VAL A 115 2.264 1.933 -10.421 1.00 0.45 O ATOM 1428 CB VAL A 115 0.863 -0.429 -12.149 1.00 0.54 C ATOM 1429 CG1 VAL A 115 0.623 -1.912 -12.372 1.00 0.65 C ATOM 1430 CG2 VAL A 115 -0.226 0.161 -11.259 1.00 0.47 C ATOM 0 H VAL A 115 1.530 -1.268 -9.909 1.00 0.51 H new ATOM 0 HA VAL A 115 3.010 -0.654 -12.195 1.00 0.53 H new ATOM 0 HB VAL A 115 0.822 0.081 -13.111 1.00 0.54 H new ATOM 0 HG11 VAL A 115 -0.369 -2.060 -12.799 1.00 0.65 H new ATOM 0 HG12 VAL A 115 1.375 -2.303 -13.057 1.00 0.65 H new ATOM 0 HG13 VAL A 115 0.690 -2.439 -11.420 1.00 0.65 H new ATOM 0 HG21 VAL A 115 -1.202 -0.018 -11.711 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.189 -0.311 -10.277 1.00 0.47 H new ATOM 0 HG23 VAL A 115 -0.067 1.234 -11.152 1.00 0.47 H new ATOM 1440 N PRO A 116 3.104 1.885 -12.514 1.00 0.56 N ATOM 1441 CA PRO A 116 3.365 3.324 -12.595 1.00 0.58 C ATOM 1442 C PRO A 116 2.065 4.114 -12.689 1.00 0.48 C ATOM 1443 O PRO A 116 1.231 3.848 -13.559 1.00 0.55 O ATOM 1444 CB PRO A 116 4.187 3.478 -13.885 1.00 0.72 C ATOM 1445 CG PRO A 116 4.603 2.095 -14.260 1.00 0.85 C ATOM 1446 CD PRO A 116 3.537 1.185 -13.726 1.00 0.69 C ATOM 0 HA PRO A 116 3.882 3.703 -11.714 1.00 0.58 H new ATOM 0 HB2 PRO A 116 3.594 3.937 -14.676 1.00 0.72 H new ATOM 0 HB3 PRO A 116 5.054 4.119 -13.724 1.00 0.72 H new ATOM 0 HG2 PRO A 116 4.696 1.995 -15.341 1.00 0.85 H new ATOM 0 HG3 PRO A 116 5.575 1.850 -13.832 1.00 0.85 H new ATOM 0 HD2 PRO A 116 2.719 1.057 -14.435 1.00 0.69 H new ATOM 0 HD3 PRO A 116 3.925 0.191 -13.504 1.00 0.69 H new ATOM 1454 N VAL A 117 1.889 5.075 -11.794 1.00 0.46 N ATOM 1455 CA VAL A 117 0.644 5.823 -11.719 1.00 0.44 C ATOM 1456 C VAL A 117 0.514 6.805 -12.885 1.00 0.49 C ATOM 1457 O VAL A 117 1.432 7.572 -13.188 1.00 0.61 O ATOM 1458 CB VAL A 117 0.507 6.572 -10.374 1.00 0.58 C ATOM 1459 CG1 VAL A 117 1.608 7.610 -10.200 1.00 0.99 C ATOM 1460 CG2 VAL A 117 -0.872 7.209 -10.255 1.00 1.25 C ATOM 0 H VAL A 117 2.592 5.355 -11.110 1.00 0.46 H new ATOM 0 HA VAL A 117 -0.166 5.097 -11.786 1.00 0.44 H new ATOM 0 HB VAL A 117 0.618 5.843 -9.571 1.00 0.58 H new ATOM 0 HG11 VAL A 117 1.481 8.118 -9.244 1.00 0.99 H new ATOM 0 HG12 VAL A 117 2.580 7.117 -10.223 1.00 0.99 H new ATOM 0 HG13 VAL A 117 1.552 8.339 -11.008 1.00 0.99 H new ATOM 0 HG21 VAL A 117 -0.950 7.732 -9.302 1.00 1.25 H new ATOM 0 HG22 VAL A 117 -1.017 7.917 -11.071 1.00 1.25 H new ATOM 0 HG23 VAL A 117 -1.637 6.434 -10.307 1.00 1.25 H new ATOM 1470 N GLU A 118 -0.623 6.747 -13.556 1.00 0.57 N ATOM 1471 CA GLU A 118 -0.921 7.656 -14.651 1.00 0.70 C ATOM 1472 C GLU A 118 -1.485 8.967 -14.125 1.00 0.71 C ATOM 1473 O GLU A 118 -1.919 9.030 -12.974 1.00 0.66 O ATOM 1474 CB GLU A 118 -1.911 7.012 -15.614 1.00 0.84 C ATOM 1475 CG GLU A 118 -3.053 6.322 -14.898 1.00 1.34 C ATOM 1476 CD GLU A 118 -4.131 5.840 -15.839 1.00 1.95 C ATOM 1477 OE1 GLU A 118 -3.845 4.936 -16.641 1.00 2.31 O ATOM 1478 OE2 GLU A 118 -5.258 6.373 -15.787 1.00 2.63 O ATOM 0 H GLU A 118 -1.363 6.073 -13.359 1.00 0.57 H new ATOM 0 HA GLU A 118 0.007 7.867 -15.182 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -2.313 7.775 -16.281 1.00 0.84 H new ATOM 0 HB3 GLU A 118 -1.387 6.288 -16.238 1.00 0.84 H new ATOM 0 HG2 GLU A 118 -2.663 5.474 -14.336 1.00 1.34 H new ATOM 0 HG3 GLU A 118 -3.490 7.010 -14.175 1.00 1.34 H new ATOM 1485 N CYS A 119 -1.507 9.997 -14.960 1.00 0.84 N ATOM 1486 CA CYS A 119 -1.973 11.318 -14.546 1.00 0.88 C ATOM 1487 C CYS A 119 -3.398 11.257 -13.994 1.00 0.79 C ATOM 1488 O CYS A 119 -3.726 11.937 -13.023 1.00 0.76 O ATOM 1489 CB CYS A 119 -1.906 12.291 -15.728 1.00 1.11 C ATOM 1490 SG CYS A 119 -2.408 13.982 -15.329 1.00 2.07 S ATOM 0 H CYS A 119 -1.206 9.945 -15.933 1.00 0.84 H new ATOM 0 HA CYS A 119 -1.320 11.673 -13.749 1.00 0.88 H new ATOM 0 HB2 CYS A 119 -0.886 12.308 -16.112 1.00 1.11 H new ATOM 0 HB3 CYS A 119 -2.542 11.915 -16.529 1.00 1.11 H new ATOM 0 HG CYS A 119 -2.314 14.725 -16.392 1.00 2.07 H new ATOM 1496 N ARG A 120 -4.223 10.408 -14.598 1.00 0.82 N ATOM 1497 CA ARG A 120 -5.628 10.284 -14.213 1.00 0.82 C ATOM 1498 C ARG A 120 -5.744 9.844 -12.758 1.00 0.68 C ATOM 1499 O ARG A 120 -6.532 10.389 -11.986 1.00 0.77 O ATOM 1500 CB ARG A 120 -6.361 9.269 -15.105 1.00 0.98 C ATOM 1501 CG ARG A 120 -6.396 9.615 -16.591 1.00 1.58 C ATOM 1502 CD ARG A 120 -5.036 9.447 -17.256 1.00 2.22 C ATOM 1503 NE ARG A 120 -5.115 9.508 -18.712 1.00 2.86 N ATOM 1504 CZ ARG A 120 -4.427 10.364 -19.466 1.00 3.77 C ATOM 1505 NH1 ARG A 120 -3.696 11.316 -18.900 1.00 4.23 N ATOM 1506 NH2 ARG A 120 -4.485 10.275 -20.787 1.00 4.59 N ATOM 0 H ARG A 120 -3.942 9.792 -15.361 1.00 0.82 H new ATOM 0 HA ARG A 120 -6.090 11.263 -14.339 1.00 0.82 H new ATOM 0 HB2 ARG A 120 -5.886 8.295 -14.986 1.00 0.98 H new ATOM 0 HB3 ARG A 120 -7.386 9.169 -14.748 1.00 0.98 H new ATOM 0 HG2 ARG A 120 -7.124 8.978 -17.093 1.00 1.58 H new ATOM 0 HG3 ARG A 120 -6.734 10.644 -16.714 1.00 1.58 H new ATOM 0 HD2 ARG A 120 -4.362 10.226 -16.899 1.00 2.22 H new ATOM 0 HD3 ARG A 120 -4.605 8.491 -16.958 1.00 2.22 H new ATOM 0 HE ARG A 120 -5.738 8.852 -19.183 1.00 2.86 H new ATOM 0 HH11 ARG A 120 -3.659 11.394 -17.884 1.00 4.23 H new ATOM 0 HH12 ARG A 120 -3.171 11.969 -19.481 1.00 4.23 H new ATOM 0 HH21 ARG A 120 -5.056 9.552 -21.225 1.00 4.59 H new ATOM 0 HH22 ARG A 120 -3.959 10.930 -21.366 1.00 4.59 H new ATOM 1520 N HIS A 121 -4.930 8.864 -12.395 1.00 0.57 N ATOM 1521 CA HIS A 121 -4.954 8.295 -11.054 1.00 0.56 C ATOM 1522 C HIS A 121 -4.115 9.133 -10.097 1.00 0.50 C ATOM 1523 O HIS A 121 -4.151 8.938 -8.887 1.00 0.63 O ATOM 1524 CB HIS A 121 -4.437 6.856 -11.089 1.00 0.66 C ATOM 1525 CG HIS A 121 -5.435 5.857 -11.599 1.00 0.72 C ATOM 1526 ND1 HIS A 121 -5.820 5.765 -12.923 1.00 1.34 N ATOM 1527 CD2 HIS A 121 -6.118 4.891 -10.948 1.00 1.33 C ATOM 1528 CE1 HIS A 121 -6.693 4.784 -13.054 1.00 1.34 C ATOM 1529 NE2 HIS A 121 -6.892 4.234 -11.872 1.00 1.22 N ATOM 0 H HIS A 121 -4.239 8.443 -13.016 1.00 0.57 H new ATOM 0 HA HIS A 121 -5.983 8.295 -10.695 1.00 0.56 H new ATOM 0 HB2 HIS A 121 -3.547 6.817 -11.717 1.00 0.66 H new ATOM 0 HB3 HIS A 121 -4.131 6.567 -10.084 1.00 0.66 H new ATOM 0 HD2 HIS A 121 -6.065 4.674 -9.891 1.00 1.33 H new ATOM 0 HE1 HIS A 121 -7.166 4.482 -13.977 1.00 1.34 H new ATOM 0 HE2 HIS A 121 -7.516 3.451 -11.677 1.00 1.22 H new ATOM 1538 N ARG A 122 -3.365 10.069 -10.659 1.00 0.49 N ATOM 1539 CA ARG A 122 -2.525 10.971 -9.888 1.00 0.50 C ATOM 1540 C ARG A 122 -3.199 12.341 -9.816 1.00 0.62 C ATOM 1541 O ARG A 122 -2.537 13.375 -9.715 1.00 1.05 O ATOM 1542 CB ARG A 122 -1.162 11.098 -10.563 1.00 0.64 C ATOM 1543 CG ARG A 122 -0.062 11.577 -9.637 1.00 0.75 C ATOM 1544 CD ARG A 122 1.016 12.313 -10.408 1.00 0.95 C ATOM 1545 NE ARG A 122 1.550 11.530 -11.520 1.00 1.67 N ATOM 1546 CZ ARG A 122 2.845 11.265 -11.686 1.00 2.32 C ATOM 1547 NH1 ARG A 122 3.724 11.618 -10.757 1.00 2.38 N ATOM 1548 NH2 ARG A 122 3.257 10.629 -12.774 1.00 3.30 N ATOM 0 H ARG A 122 -3.322 10.224 -11.666 1.00 0.49 H new ATOM 0 HA ARG A 122 -2.388 10.580 -8.880 1.00 0.50 H new ATOM 0 HB2 ARG A 122 -0.880 10.129 -10.976 1.00 0.64 H new ATOM 0 HB3 ARG A 122 -1.245 11.790 -11.401 1.00 0.64 H new ATOM 0 HG2 ARG A 122 -0.483 12.234 -8.876 1.00 0.75 H new ATOM 0 HG3 ARG A 122 0.376 10.726 -9.116 1.00 0.75 H new ATOM 0 HD2 ARG A 122 0.608 13.249 -10.791 1.00 0.95 H new ATOM 0 HD3 ARG A 122 1.828 12.573 -9.730 1.00 0.95 H new ATOM 0 HE ARG A 122 0.893 11.165 -12.209 1.00 1.67 H new ATOM 0 HH11 ARG A 122 3.409 12.094 -9.912 1.00 2.38 H new ATOM 0 HH12 ARG A 122 4.715 11.413 -10.888 1.00 2.38 H new ATOM 0 HH21 ARG A 122 2.583 10.343 -13.484 1.00 3.30 H new ATOM 0 HH22 ARG A 122 4.248 10.426 -12.901 1.00 3.30 H new ATOM 1562 N LEU A 123 -4.526 12.314 -9.906 1.00 0.57 N ATOM 1563 CA LEU A 123 -5.349 13.515 -10.088 1.00 0.82 C ATOM 1564 C LEU A 123 -5.037 14.614 -9.073 1.00 0.73 C ATOM 1565 O LEU A 123 -5.014 15.791 -9.432 1.00 1.31 O ATOM 1566 CB LEU A 123 -6.850 13.166 -10.039 1.00 1.23 C ATOM 1567 CG LEU A 123 -7.412 12.726 -8.677 1.00 0.98 C ATOM 1568 CD1 LEU A 123 -8.931 12.730 -8.710 1.00 1.12 C ATOM 1569 CD2 LEU A 123 -6.911 11.342 -8.287 1.00 1.47 C ATOM 0 H LEU A 123 -5.069 11.452 -9.855 1.00 0.57 H new ATOM 0 HA LEU A 123 -5.098 13.907 -11.074 1.00 0.82 H new ATOM 0 HB2 LEU A 123 -7.413 14.037 -10.374 1.00 1.23 H new ATOM 0 HB3 LEU A 123 -7.038 12.369 -10.758 1.00 1.23 H new ATOM 0 HG LEU A 123 -7.062 13.438 -7.929 1.00 0.98 H new ATOM 0 HD11 LEU A 123 -9.317 12.417 -7.740 1.00 1.12 H new ATOM 0 HD12 LEU A 123 -9.287 13.735 -8.935 1.00 1.12 H new ATOM 0 HD13 LEU A 123 -9.280 12.041 -9.479 1.00 1.12 H new ATOM 0 HD21 LEU A 123 -7.328 11.063 -7.319 1.00 1.47 H new ATOM 0 HD22 LEU A 123 -7.223 10.617 -9.039 1.00 1.47 H new ATOM 0 HD23 LEU A 123 -5.823 11.354 -8.223 1.00 1.47 H new ATOM 1581 N GLU A 124 -4.818 14.219 -7.826 1.00 0.59 N ATOM 1582 CA GLU A 124 -4.486 15.140 -6.740 1.00 0.63 C ATOM 1583 C GLU A 124 -3.310 16.050 -7.109 1.00 0.79 C ATOM 1584 O GLU A 124 -2.150 15.663 -6.851 1.00 1.47 O ATOM 1585 CB GLU A 124 -4.132 14.333 -5.492 1.00 0.93 C ATOM 1586 CG GLU A 124 -5.103 13.198 -5.180 1.00 1.70 C ATOM 1587 CD GLU A 124 -6.523 13.669 -4.939 1.00 2.39 C ATOM 1588 OE1 GLU A 124 -6.755 14.399 -3.956 1.00 2.69 O ATOM 1589 OE2 GLU A 124 -7.405 13.316 -5.742 1.00 3.01 O ATOM 1590 OXT GLU A 124 -3.542 17.147 -7.662 1.00 1.11 O ATOM 0 H GLU A 124 -4.865 13.243 -7.534 1.00 0.59 H new ATOM 0 HA GLU A 124 -5.353 15.773 -6.553 1.00 0.63 H new ATOM 0 HB2 GLU A 124 -3.132 13.916 -5.615 1.00 0.93 H new ATOM 0 HB3 GLU A 124 -4.093 15.007 -4.637 1.00 0.93 H new ATOM 0 HG2 GLU A 124 -5.099 12.489 -6.008 1.00 1.70 H new ATOM 0 HG3 GLU A 124 -4.752 12.661 -4.299 1.00 1.70 H new