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 103 SER OG : rot -140:sc= -0.217 USER MOD Set 1.2: A 121 HIS : no HD1:sc= -0.291 X(o=-0.51,f=-0.19) USER MOD Set 2.1: A 71 MET CE :methyl -106:sc= -2.54! (180deg=-2.94) USER MOD Set 2.2: A 74 THR OG1 : rot 68:sc= 0.837 USER MOD Single : A 25 THR OG1 : rot 56:sc= 1.03 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 164:sc= -1.73! (180deg=-1.87) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0663 USER MOD Single : A 48 THR OG1 : rot 56:sc= 1.17 USER MOD Single : A 53 SER OG : rot 180:sc= 0 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 160:sc= -0.049 USER MOD Single : A 64 SER OG : rot 140:sc= -0.495 USER MOD Single : A 67 THR OG1 : rot -58:sc= 0.379 USER MOD Single : A 68 HIS : no HD1:sc= -8.68! C(o=-8.7!,f=-11!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 69:sc= 0.462 USER MOD Single : A 83 GLN : amide:sc= -2.03! K(o=-2!,f=-0.38) USER MOD Single : A 87 MET CE :methyl 161:sc= -2.31! (180deg=-3.02!) USER MOD Single : A 94 CYS SG : rot 74:sc= 0.572 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 34:sc= -1.11! USER MOD Single : A 108 SER OG : rot 70:sc= 0.102 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 CYS SG : rot 180:sc= 0.0336 USER MOD ----------------------------------------------------------------- ATOM 63 N THR A 25 4.055 -6.535 4.096 1.00 1.09 N ATOM 64 CA THR A 25 4.723 -5.425 3.404 1.00 0.85 C ATOM 65 C THR A 25 6.064 -5.883 2.798 1.00 1.01 C ATOM 66 O THR A 25 7.138 -5.412 3.176 1.00 1.99 O ATOM 67 CB THR A 25 4.917 -4.205 4.357 1.00 0.70 C ATOM 68 OG1 THR A 25 5.997 -4.417 5.272 1.00 0.83 O ATOM 69 CG2 THR A 25 3.661 -3.964 5.170 1.00 0.96 C ATOM 0 HA THR A 25 4.081 -5.103 2.584 1.00 0.85 H new ATOM 0 HB THR A 25 5.139 -3.344 3.726 1.00 0.70 H new ATOM 0 HG1 THR A 25 6.816 -4.615 4.771 1.00 0.83 H new ATOM 0 HG21 THR A 25 3.813 -3.110 5.830 1.00 0.96 H new ATOM 0 HG22 THR A 25 2.827 -3.760 4.499 1.00 0.96 H new ATOM 0 HG23 THR A 25 3.439 -4.848 5.767 1.00 0.96 H new ATOM 77 N ARG A 26 5.988 -6.810 1.844 1.00 0.78 N ATOM 78 CA ARG A 26 7.178 -7.517 1.369 1.00 0.81 C ATOM 79 C ARG A 26 8.043 -6.698 0.410 1.00 0.79 C ATOM 80 O ARG A 26 9.252 -6.911 0.349 1.00 0.95 O ATOM 81 CB ARG A 26 6.795 -8.846 0.727 1.00 1.04 C ATOM 82 CG ARG A 26 6.356 -9.891 1.739 1.00 1.15 C ATOM 83 CD ARG A 26 6.226 -11.262 1.101 1.00 1.19 C ATOM 84 NE ARG A 26 5.866 -12.290 2.080 1.00 1.65 N ATOM 85 CZ ARG A 26 5.373 -13.490 1.758 1.00 1.90 C ATOM 86 NH1 ARG A 26 5.190 -13.822 0.486 1.00 2.06 N ATOM 87 NH2 ARG A 26 5.064 -14.362 2.709 1.00 2.51 N ATOM 0 H ARG A 26 5.120 -7.088 1.386 1.00 0.78 H new ATOM 0 HA ARG A 26 7.788 -7.697 2.254 1.00 0.81 H new ATOM 0 HB2 ARG A 26 5.989 -8.679 0.013 1.00 1.04 H new ATOM 0 HB3 ARG A 26 7.646 -9.229 0.163 1.00 1.04 H new ATOM 0 HG2 ARG A 26 7.078 -9.935 2.555 1.00 1.15 H new ATOM 0 HG3 ARG A 26 5.400 -9.599 2.174 1.00 1.15 H new ATOM 0 HD2 ARG A 26 5.469 -11.227 0.317 1.00 1.19 H new ATOM 0 HD3 ARG A 26 7.168 -11.530 0.623 1.00 1.19 H new ATOM 0 HE ARG A 26 6.000 -12.077 3.069 1.00 1.65 H new ATOM 0 HH11 ARG A 26 5.426 -13.160 -0.253 1.00 2.06 H new ATOM 0 HH12 ARG A 26 4.813 -14.739 0.247 1.00 2.06 H new ATOM 0 HH21 ARG A 26 5.202 -14.118 3.690 1.00 2.51 H new ATOM 0 HH22 ARG A 26 4.688 -15.277 2.460 1.00 2.51 H new ATOM 101 N PHE A 27 7.446 -5.789 -0.352 1.00 0.72 N ATOM 102 CA PHE A 27 8.226 -4.898 -1.214 1.00 0.77 C ATOM 103 C PHE A 27 8.288 -3.514 -0.589 1.00 0.71 C ATOM 104 O PHE A 27 7.440 -2.670 -0.869 1.00 0.72 O ATOM 105 CB PHE A 27 7.620 -4.784 -2.619 1.00 0.88 C ATOM 106 CG PHE A 27 7.647 -6.046 -3.440 1.00 0.78 C ATOM 107 CD1 PHE A 27 8.369 -7.158 -3.037 1.00 0.89 C ATOM 108 CD2 PHE A 27 6.941 -6.110 -4.629 1.00 0.96 C ATOM 109 CE1 PHE A 27 8.380 -8.308 -3.805 1.00 1.25 C ATOM 110 CE2 PHE A 27 6.946 -7.252 -5.398 1.00 1.35 C ATOM 111 CZ PHE A 27 7.668 -8.355 -4.987 1.00 1.51 C ATOM 0 H PHE A 27 6.437 -5.647 -0.394 1.00 0.72 H new ATOM 0 HA PHE A 27 9.225 -5.322 -1.309 1.00 0.77 H new ATOM 0 HB2 PHE A 27 6.585 -4.455 -2.524 1.00 0.88 H new ATOM 0 HB3 PHE A 27 8.153 -4.005 -3.164 1.00 0.88 H new ATOM 0 HD1 PHE A 27 8.929 -7.126 -2.114 1.00 0.89 H new ATOM 0 HD2 PHE A 27 6.377 -5.250 -4.959 1.00 0.96 H new ATOM 0 HE1 PHE A 27 8.945 -9.169 -3.480 1.00 1.25 H new ATOM 0 HE2 PHE A 27 6.386 -7.285 -6.321 1.00 1.35 H new ATOM 0 HZ PHE A 27 7.676 -9.252 -5.588 1.00 1.51 H new ATOM 121 N PRO A 28 9.293 -3.256 0.261 1.00 0.72 N ATOM 122 CA PRO A 28 9.347 -2.032 1.049 1.00 0.81 C ATOM 123 C PRO A 28 9.818 -0.818 0.253 1.00 1.01 C ATOM 124 O PRO A 28 9.825 0.301 0.767 1.00 2.02 O ATOM 125 CB PRO A 28 10.322 -2.383 2.167 1.00 0.91 C ATOM 126 CG PRO A 28 11.245 -3.388 1.566 1.00 1.03 C ATOM 127 CD PRO A 28 10.456 -4.125 0.514 1.00 0.76 C ATOM 0 HA PRO A 28 8.361 -1.734 1.405 1.00 0.81 H new ATOM 0 HB2 PRO A 28 10.865 -1.502 2.509 1.00 0.91 H new ATOM 0 HB3 PRO A 28 9.801 -2.792 3.032 1.00 0.91 H new ATOM 0 HG2 PRO A 28 12.115 -2.900 1.127 1.00 1.03 H new ATOM 0 HG3 PRO A 28 11.615 -4.077 2.326 1.00 1.03 H new ATOM 0 HD2 PRO A 28 11.044 -4.277 -0.391 1.00 0.76 H new ATOM 0 HD3 PRO A 28 10.148 -5.110 0.864 1.00 0.76 H new ATOM 135 N GLY A 29 10.205 -1.038 -0.999 1.00 0.67 N ATOM 136 CA GLY A 29 10.530 0.070 -1.876 1.00 0.68 C ATOM 137 C GLY A 29 9.325 0.955 -2.099 1.00 0.65 C ATOM 138 O GLY A 29 9.395 2.174 -1.943 1.00 0.86 O ATOM 0 H GLY A 29 10.299 -1.962 -1.421 1.00 0.67 H new ATOM 0 HA2 GLY A 29 11.341 0.656 -1.443 1.00 0.68 H new ATOM 0 HA3 GLY A 29 10.888 -0.311 -2.832 1.00 0.68 H new ATOM 142 N VAL A 30 8.214 0.335 -2.461 1.00 0.69 N ATOM 143 CA VAL A 30 6.947 1.034 -2.563 1.00 0.68 C ATOM 144 C VAL A 30 6.346 1.201 -1.173 1.00 0.70 C ATOM 145 O VAL A 30 6.020 0.216 -0.513 1.00 0.75 O ATOM 146 CB VAL A 30 5.943 0.266 -3.454 1.00 0.70 C ATOM 147 CG1 VAL A 30 4.624 1.007 -3.534 1.00 1.01 C ATOM 148 CG2 VAL A 30 6.498 0.033 -4.849 1.00 1.15 C ATOM 0 H VAL A 30 8.166 -0.658 -2.690 1.00 0.69 H new ATOM 0 HA VAL A 30 7.137 2.006 -3.018 1.00 0.68 H new ATOM 0 HB VAL A 30 5.775 -0.707 -2.992 1.00 0.70 H new ATOM 0 HG11 VAL A 30 3.932 0.450 -4.165 1.00 1.01 H new ATOM 0 HG12 VAL A 30 4.202 1.108 -2.534 1.00 1.01 H new ATOM 0 HG13 VAL A 30 4.788 1.997 -3.960 1.00 1.01 H new ATOM 0 HG21 VAL A 30 5.765 -0.509 -5.446 1.00 1.15 H new ATOM 0 HG22 VAL A 30 6.712 0.992 -5.320 1.00 1.15 H new ATOM 0 HG23 VAL A 30 7.416 -0.551 -4.783 1.00 1.15 H new ATOM 158 N ALA A 31 6.204 2.439 -0.720 1.00 0.71 N ATOM 159 CA ALA A 31 5.643 2.703 0.592 1.00 0.73 C ATOM 160 C ALA A 31 4.254 3.286 0.436 1.00 0.65 C ATOM 161 O ALA A 31 4.086 4.380 -0.105 1.00 0.76 O ATOM 162 CB ALA A 31 6.533 3.653 1.375 1.00 0.84 C ATOM 0 H ALA A 31 6.470 3.273 -1.243 1.00 0.71 H new ATOM 0 HA ALA A 31 5.581 1.767 1.147 1.00 0.73 H new ATOM 0 HB1 ALA A 31 6.094 3.838 2.356 1.00 0.84 H new ATOM 0 HB2 ALA A 31 7.521 3.209 1.497 1.00 0.84 H new ATOM 0 HB3 ALA A 31 6.624 4.595 0.835 1.00 0.84 H new ATOM 168 N ILE A 32 3.270 2.562 0.922 1.00 0.57 N ATOM 169 CA ILE A 32 1.883 2.892 0.671 1.00 0.48 C ATOM 170 C ILE A 32 1.176 3.194 1.975 1.00 0.44 C ATOM 171 O ILE A 32 0.982 2.293 2.787 1.00 0.54 O ATOM 172 CB ILE A 32 1.163 1.699 0.028 1.00 0.49 C ATOM 173 CG1 ILE A 32 2.036 1.062 -1.055 1.00 0.59 C ATOM 174 CG2 ILE A 32 -0.160 2.141 -0.551 1.00 0.49 C ATOM 175 CD1 ILE A 32 1.493 -0.244 -1.590 1.00 0.67 C ATOM 0 H ILE A 32 3.407 1.732 1.499 1.00 0.57 H new ATOM 0 HA ILE A 32 1.859 3.758 0.009 1.00 0.48 H new ATOM 0 HB ILE A 32 0.975 0.950 0.798 1.00 0.49 H new ATOM 0 HG12 ILE A 32 2.144 1.765 -1.881 1.00 0.59 H new ATOM 0 HG13 ILE A 32 3.033 0.891 -0.650 1.00 0.59 H new ATOM 0 HG21 ILE A 32 -0.662 1.287 -1.005 1.00 0.49 H new ATOM 0 HG22 ILE A 32 -0.786 2.551 0.242 1.00 0.49 H new ATOM 0 HG23 ILE A 32 0.012 2.905 -1.309 1.00 0.49 H new ATOM 0 HD11 ILE A 32 2.167 -0.633 -2.353 1.00 0.67 H new ATOM 0 HD12 ILE A 32 1.412 -0.965 -0.776 1.00 0.67 H new ATOM 0 HD13 ILE A 32 0.508 -0.077 -2.027 1.00 0.67 H new ATOM 187 N TYR A 33 0.780 4.430 2.196 1.00 0.38 N ATOM 188 CA TYR A 33 0.059 4.760 3.403 1.00 0.38 C ATOM 189 C TYR A 33 -1.343 5.212 3.040 1.00 0.34 C ATOM 190 O TYR A 33 -1.528 6.046 2.151 1.00 0.41 O ATOM 191 CB TYR A 33 0.784 5.858 4.188 1.00 0.54 C ATOM 192 CG TYR A 33 0.082 6.257 5.469 1.00 0.58 C ATOM 193 CD1 TYR A 33 -0.096 5.350 6.505 1.00 1.01 C ATOM 194 CD2 TYR A 33 -0.405 7.547 5.639 1.00 0.56 C ATOM 195 CE1 TYR A 33 -0.738 5.719 7.673 1.00 1.18 C ATOM 196 CE2 TYR A 33 -1.047 7.921 6.799 1.00 0.64 C ATOM 197 CZ TYR A 33 -1.202 6.978 7.827 1.00 0.90 C ATOM 198 OH TYR A 33 -1.856 7.381 8.969 1.00 1.11 O ATOM 0 H TYR A 33 0.943 5.213 1.563 1.00 0.38 H new ATOM 0 HA TYR A 33 0.005 3.875 4.037 1.00 0.38 H new ATOM 0 HB2 TYR A 33 1.791 5.516 4.428 1.00 0.54 H new ATOM 0 HB3 TYR A 33 0.889 6.737 3.553 1.00 0.54 H new ATOM 0 HD1 TYR A 33 0.273 4.341 6.397 1.00 1.01 H new ATOM 0 HD2 TYR A 33 -0.278 8.270 4.847 1.00 0.56 H new ATOM 0 HE1 TYR A 33 -0.869 4.997 8.466 1.00 1.18 H new ATOM 0 HE2 TYR A 33 -1.426 8.926 6.916 1.00 0.64 H new ATOM 0 HH TYR A 33 -2.110 8.324 8.885 1.00 1.11 H new ATOM 208 N LEU A 34 -2.319 4.650 3.718 1.00 0.33 N ATOM 209 CA LEU A 34 -3.706 4.997 3.485 1.00 0.36 C ATOM 210 C LEU A 34 -4.163 5.944 4.581 1.00 0.31 C ATOM 211 O LEU A 34 -3.758 5.803 5.736 1.00 0.35 O ATOM 212 CB LEU A 34 -4.579 3.742 3.497 1.00 0.45 C ATOM 213 CG LEU A 34 -3.844 2.440 3.190 1.00 0.64 C ATOM 214 CD1 LEU A 34 -4.613 1.263 3.762 1.00 1.18 C ATOM 215 CD2 LEU A 34 -3.650 2.281 1.692 1.00 1.06 C ATOM 0 H LEU A 34 -2.177 3.945 4.441 1.00 0.33 H new ATOM 0 HA LEU A 34 -3.800 5.475 2.510 1.00 0.36 H new ATOM 0 HB2 LEU A 34 -5.048 3.654 4.477 1.00 0.45 H new ATOM 0 HB3 LEU A 34 -5.381 3.869 2.770 1.00 0.45 H new ATOM 0 HG LEU A 34 -2.860 2.471 3.657 1.00 0.64 H new ATOM 0 HD11 LEU A 34 -4.082 0.338 3.538 1.00 1.18 H new ATOM 0 HD12 LEU A 34 -4.703 1.378 4.842 1.00 1.18 H new ATOM 0 HD13 LEU A 34 -5.607 1.227 3.317 1.00 1.18 H new ATOM 0 HD21 LEU A 34 -3.124 1.348 1.490 1.00 1.06 H new ATOM 0 HD22 LEU A 34 -4.622 2.264 1.199 1.00 1.06 H new ATOM 0 HD23 LEU A 34 -3.064 3.117 1.310 1.00 1.06 H new ATOM 227 N VAL A 35 -4.985 6.910 4.227 1.00 0.31 N ATOM 228 CA VAL A 35 -5.485 7.861 5.204 1.00 0.34 C ATOM 229 C VAL A 35 -6.646 7.261 5.971 1.00 0.46 C ATOM 230 O VAL A 35 -7.807 7.373 5.569 1.00 0.72 O ATOM 231 CB VAL A 35 -5.930 9.167 4.541 1.00 0.42 C ATOM 232 CG1 VAL A 35 -6.274 10.221 5.586 1.00 0.90 C ATOM 233 CG2 VAL A 35 -4.848 9.666 3.608 1.00 1.39 C ATOM 0 H VAL A 35 -5.321 7.059 3.276 1.00 0.31 H new ATOM 0 HA VAL A 35 -4.669 8.087 5.891 1.00 0.34 H new ATOM 0 HB VAL A 35 -6.832 8.972 3.960 1.00 0.42 H new ATOM 0 HG11 VAL A 35 -6.587 11.139 5.088 1.00 0.90 H new ATOM 0 HG12 VAL A 35 -7.084 9.856 6.217 1.00 0.90 H new ATOM 0 HG13 VAL A 35 -5.397 10.423 6.201 1.00 0.90 H new ATOM 0 HG21 VAL A 35 -5.172 10.596 3.140 1.00 1.39 H new ATOM 0 HG22 VAL A 35 -3.933 9.844 4.174 1.00 1.39 H new ATOM 0 HG23 VAL A 35 -4.659 8.918 2.838 1.00 1.39 H new ATOM 243 N GLU A 36 -6.307 6.610 7.063 1.00 0.59 N ATOM 244 CA GLU A 36 -7.280 5.940 7.911 1.00 0.77 C ATOM 245 C GLU A 36 -8.374 6.899 8.407 1.00 0.71 C ATOM 246 O GLU A 36 -9.557 6.559 8.327 1.00 0.79 O ATOM 247 CB GLU A 36 -6.572 5.256 9.081 1.00 1.03 C ATOM 248 CG GLU A 36 -5.508 4.270 8.626 1.00 1.76 C ATOM 249 CD GLU A 36 -4.918 3.469 9.763 1.00 1.96 C ATOM 250 OE1 GLU A 36 -5.678 2.810 10.495 1.00 2.24 O ATOM 251 OE2 GLU A 36 -3.688 3.540 9.960 1.00 2.34 O ATOM 0 H GLU A 36 -5.345 6.528 7.392 1.00 0.59 H new ATOM 0 HA GLU A 36 -7.781 5.181 7.310 1.00 0.77 H new ATOM 0 HB2 GLU A 36 -6.112 6.014 9.715 1.00 1.03 H new ATOM 0 HB3 GLU A 36 -7.309 4.734 9.691 1.00 1.03 H new ATOM 0 HG2 GLU A 36 -5.942 3.587 7.895 1.00 1.76 H new ATOM 0 HG3 GLU A 36 -4.710 4.813 8.120 1.00 1.76 H new ATOM 258 N PRO A 37 -8.026 8.109 8.913 1.00 0.70 N ATOM 259 CA PRO A 37 -9.033 9.108 9.307 1.00 0.83 C ATOM 260 C PRO A 37 -9.693 9.794 8.103 1.00 0.90 C ATOM 261 O PRO A 37 -9.795 11.021 8.051 1.00 1.46 O ATOM 262 CB PRO A 37 -8.223 10.117 10.126 1.00 0.91 C ATOM 263 CG PRO A 37 -6.846 10.027 9.571 1.00 0.91 C ATOM 264 CD PRO A 37 -6.653 8.588 9.186 1.00 0.73 C ATOM 0 HA PRO A 37 -9.861 8.656 9.854 1.00 0.83 H new ATOM 0 HB2 PRO A 37 -8.626 11.125 10.026 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -8.240 9.871 11.188 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -6.729 10.682 8.708 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -6.106 10.337 10.309 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -6.014 8.491 8.309 1.00 0.73 H new ATOM 0 HD3 PRO A 37 -6.183 8.019 9.988 1.00 0.73 H new ATOM 272 N ARG A 38 -10.144 8.987 7.148 1.00 0.89 N ATOM 273 CA ARG A 38 -10.820 9.475 5.949 1.00 0.93 C ATOM 274 C ARG A 38 -11.308 8.286 5.132 1.00 0.92 C ATOM 275 O ARG A 38 -12.410 8.298 4.590 1.00 1.42 O ATOM 276 CB ARG A 38 -9.888 10.353 5.104 1.00 0.99 C ATOM 277 CG ARG A 38 -10.577 11.061 3.937 1.00 1.31 C ATOM 278 CD ARG A 38 -11.731 11.942 4.403 1.00 1.06 C ATOM 279 NE ARG A 38 -12.129 12.922 3.386 1.00 1.41 N ATOM 280 CZ ARG A 38 -13.375 13.067 2.924 1.00 1.91 C ATOM 281 NH1 ARG A 38 -14.329 12.214 3.288 1.00 2.37 N ATOM 282 NH2 ARG A 38 -13.661 14.058 2.083 1.00 2.60 N ATOM 0 H ARG A 38 -10.051 7.972 7.183 1.00 0.89 H new ATOM 0 HA ARG A 38 -11.669 10.089 6.250 1.00 0.93 H new ATOM 0 HB2 ARG A 38 -9.430 11.103 5.749 1.00 0.99 H new ATOM 0 HB3 ARG A 38 -9.081 9.734 4.713 1.00 0.99 H new ATOM 0 HG2 ARG A 38 -9.849 11.671 3.402 1.00 1.31 H new ATOM 0 HG3 ARG A 38 -10.950 10.318 3.232 1.00 1.31 H new ATOM 0 HD2 ARG A 38 -12.586 11.314 4.654 1.00 1.06 H new ATOM 0 HD3 ARG A 38 -11.441 12.465 5.314 1.00 1.06 H new ATOM 0 HE ARG A 38 -11.406 13.534 3.006 1.00 1.41 H new ATOM 0 HH11 ARG A 38 -14.111 11.445 3.922 1.00 2.37 H new ATOM 0 HH12 ARG A 38 -15.278 12.329 2.933 1.00 2.37 H new ATOM 0 HH21 ARG A 38 -12.930 14.706 1.791 1.00 2.60 H new ATOM 0 HH22 ARG A 38 -14.612 14.169 1.730 1.00 2.60 H new ATOM 296 N MET A 39 -10.472 7.259 5.051 1.00 0.73 N ATOM 297 CA MET A 39 -10.843 6.013 4.392 1.00 0.74 C ATOM 298 C MET A 39 -11.614 5.112 5.352 1.00 0.74 C ATOM 299 O MET A 39 -12.808 4.869 5.178 1.00 1.05 O ATOM 300 CB MET A 39 -9.592 5.288 3.875 1.00 0.80 C ATOM 301 CG MET A 39 -9.868 3.905 3.299 1.00 1.19 C ATOM 302 SD MET A 39 -8.384 3.101 2.661 1.00 1.27 S ATOM 303 CE MET A 39 -7.936 4.216 1.334 1.00 0.61 C ATOM 0 H MET A 39 -9.527 7.265 5.436 1.00 0.73 H new ATOM 0 HA MET A 39 -11.485 6.250 3.544 1.00 0.74 H new ATOM 0 HB2 MET A 39 -9.121 5.902 3.108 1.00 0.80 H new ATOM 0 HB3 MET A 39 -8.876 5.193 4.692 1.00 0.80 H new ATOM 0 HG2 MET A 39 -10.312 3.277 4.072 1.00 1.19 H new ATOM 0 HG3 MET A 39 -10.602 3.991 2.498 1.00 1.19 H new ATOM 0 HE1 MET A 39 -6.907 4.025 1.030 1.00 0.61 H new ATOM 0 HE2 MET A 39 -8.600 4.056 0.485 1.00 0.61 H new ATOM 0 HE3 MET A 39 -8.028 5.246 1.678 1.00 0.61 H new ATOM 313 N GLY A 40 -10.928 4.632 6.379 1.00 1.32 N ATOM 314 CA GLY A 40 -11.564 3.780 7.362 1.00 1.52 C ATOM 315 C GLY A 40 -10.942 2.401 7.422 1.00 1.39 C ATOM 316 O GLY A 40 -10.039 2.087 6.650 1.00 1.36 O ATOM 0 H GLY A 40 -9.940 4.818 6.549 1.00 1.32 H new ATOM 0 HA2 GLY A 40 -11.496 4.249 8.344 1.00 1.52 H new ATOM 0 HA3 GLY A 40 -12.624 3.687 7.126 1.00 1.52 H new ATOM 320 N ARG A 41 -11.443 1.584 8.334 1.00 1.34 N ATOM 321 CA ARG A 41 -10.910 0.239 8.528 1.00 1.26 C ATOM 322 C ARG A 41 -11.504 -0.724 7.504 1.00 1.15 C ATOM 323 O ARG A 41 -10.913 -1.762 7.197 1.00 1.03 O ATOM 324 CB ARG A 41 -11.169 -0.276 9.944 1.00 1.42 C ATOM 325 CG ARG A 41 -12.592 -0.743 10.187 1.00 1.79 C ATOM 326 CD ARG A 41 -12.698 -1.481 11.505 1.00 1.72 C ATOM 327 NE ARG A 41 -14.007 -2.095 11.692 1.00 2.20 N ATOM 328 CZ ARG A 41 -14.427 -2.602 12.847 1.00 2.49 C ATOM 329 NH1 ARG A 41 -13.643 -2.573 13.917 1.00 2.51 N ATOM 330 NH2 ARG A 41 -15.628 -3.148 12.931 1.00 3.20 N ATOM 0 H ARG A 41 -12.217 1.825 8.953 1.00 1.34 H new ATOM 0 HA ARG A 41 -9.831 0.293 8.385 1.00 1.26 H new ATOM 0 HB2 ARG A 41 -10.488 -1.102 10.148 1.00 1.42 H new ATOM 0 HB3 ARG A 41 -10.932 0.515 10.655 1.00 1.42 H new ATOM 0 HG2 ARG A 41 -13.265 0.114 10.190 1.00 1.79 H new ATOM 0 HG3 ARG A 41 -12.910 -1.395 9.373 1.00 1.79 H new ATOM 0 HD2 ARG A 41 -11.928 -2.251 11.550 1.00 1.72 H new ATOM 0 HD3 ARG A 41 -12.504 -0.788 12.324 1.00 1.72 H new ATOM 0 HE ARG A 41 -14.637 -2.138 10.891 1.00 2.20 H new ATOM 0 HH11 ARG A 41 -12.712 -2.160 13.856 1.00 2.51 H new ATOM 0 HH12 ARG A 41 -13.971 -2.964 14.800 1.00 2.51 H new ATOM 0 HH21 ARG A 41 -16.232 -3.180 12.110 1.00 3.20 H new ATOM 0 HH22 ARG A 41 -15.951 -3.537 13.817 1.00 3.20 H new ATOM 344 N SER A 42 -12.674 -0.367 6.981 1.00 1.23 N ATOM 345 CA SER A 42 -13.419 -1.231 6.076 1.00 1.19 C ATOM 346 C SER A 42 -12.619 -1.560 4.818 1.00 1.02 C ATOM 347 O SER A 42 -12.353 -2.732 4.527 1.00 0.94 O ATOM 348 CB SER A 42 -14.748 -0.560 5.721 1.00 1.38 C ATOM 349 OG SER A 42 -14.601 0.854 5.659 1.00 2.00 O ATOM 0 H SER A 42 -13.129 0.526 7.173 1.00 1.23 H new ATOM 0 HA SER A 42 -13.613 -2.178 6.580 1.00 1.19 H new ATOM 0 HB2 SER A 42 -15.105 -0.935 4.762 1.00 1.38 H new ATOM 0 HB3 SER A 42 -15.501 -0.819 6.465 1.00 1.38 H new ATOM 0 HG SER A 42 -15.462 1.263 5.429 1.00 2.00 H new ATOM 355 N ARG A 43 -12.200 -0.534 4.088 1.00 1.01 N ATOM 356 CA ARG A 43 -11.409 -0.759 2.892 1.00 0.91 C ATOM 357 C ARG A 43 -9.988 -1.089 3.286 1.00 0.74 C ATOM 358 O ARG A 43 -9.322 -1.882 2.623 1.00 0.60 O ATOM 359 CB ARG A 43 -11.412 0.466 1.983 1.00 1.08 C ATOM 360 CG ARG A 43 -10.848 0.189 0.597 1.00 1.13 C ATOM 361 CD ARG A 43 -10.672 1.468 -0.199 1.00 1.08 C ATOM 362 NE ARG A 43 -10.433 1.212 -1.621 1.00 0.95 N ATOM 363 CZ ARG A 43 -11.286 1.549 -2.595 1.00 1.74 C ATOM 364 NH1 ARG A 43 -12.388 2.240 -2.319 1.00 2.48 N ATOM 365 NH2 ARG A 43 -11.017 1.229 -3.856 1.00 2.23 N ATOM 0 H ARG A 43 -12.392 0.445 4.300 1.00 1.01 H new ATOM 0 HA ARG A 43 -11.851 -1.590 2.343 1.00 0.91 H new ATOM 0 HB2 ARG A 43 -12.433 0.835 1.885 1.00 1.08 H new ATOM 0 HB3 ARG A 43 -10.830 1.259 2.452 1.00 1.08 H new ATOM 0 HG2 ARG A 43 -9.888 -0.318 0.689 1.00 1.13 H new ATOM 0 HG3 ARG A 43 -11.515 -0.486 0.060 1.00 1.13 H new ATOM 0 HD2 ARG A 43 -11.562 2.087 -0.089 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -9.837 2.036 0.211 1.00 1.08 H new ATOM 0 HE ARG A 43 -9.563 0.749 -1.885 1.00 0.95 H new ATOM 0 HH11 ARG A 43 -12.589 2.518 -1.358 1.00 2.48 H new ATOM 0 HH12 ARG A 43 -13.033 2.493 -3.068 1.00 2.48 H new ATOM 0 HH21 ARG A 43 -10.159 0.726 -4.083 1.00 2.23 H new ATOM 0 HH22 ARG A 43 -11.668 1.487 -4.598 1.00 2.23 H new ATOM 379 N ARG A 44 -9.536 -0.482 4.382 1.00 0.81 N ATOM 380 CA ARG A 44 -8.179 -0.683 4.864 1.00 0.77 C ATOM 381 C ARG A 44 -7.883 -2.163 4.996 1.00 0.68 C ATOM 382 O ARG A 44 -6.998 -2.679 4.333 1.00 0.62 O ATOM 383 CB ARG A 44 -7.971 -0.020 6.222 1.00 0.95 C ATOM 384 CG ARG A 44 -6.511 0.089 6.627 1.00 0.98 C ATOM 385 CD ARG A 44 -6.334 -0.069 8.129 1.00 1.46 C ATOM 386 NE ARG A 44 -5.157 0.644 8.626 1.00 1.62 N ATOM 387 CZ ARG A 44 -3.899 0.203 8.541 1.00 2.09 C ATOM 388 NH1 ARG A 44 -3.631 -0.988 8.016 1.00 2.72 N ATOM 389 NH2 ARG A 44 -2.906 0.962 8.995 1.00 2.57 N ATOM 0 H ARG A 44 -10.095 0.154 4.951 1.00 0.81 H new ATOM 0 HA ARG A 44 -7.503 -0.229 4.139 1.00 0.77 H new ATOM 0 HB2 ARG A 44 -8.409 0.978 6.201 1.00 0.95 H new ATOM 0 HB3 ARG A 44 -8.509 -0.588 6.981 1.00 0.95 H new ATOM 0 HG2 ARG A 44 -5.931 -0.675 6.109 1.00 0.98 H new ATOM 0 HG3 ARG A 44 -6.117 1.056 6.313 1.00 0.98 H new ATOM 0 HD2 ARG A 44 -7.223 0.302 8.639 1.00 1.46 H new ATOM 0 HD3 ARG A 44 -6.245 -1.128 8.373 1.00 1.46 H new ATOM 0 HE ARG A 44 -5.309 1.549 9.072 1.00 1.62 H new ATOM 0 HH11 ARG A 44 -4.390 -1.576 7.672 1.00 2.72 H new ATOM 0 HH12 ARG A 44 -2.666 -1.314 7.957 1.00 2.72 H new ATOM 0 HH21 ARG A 44 -3.108 1.874 9.405 1.00 2.57 H new ATOM 0 HH22 ARG A 44 -1.943 0.632 8.934 1.00 2.57 H new ATOM 403 N ALA A 45 -8.654 -2.846 5.834 1.00 0.82 N ATOM 404 CA ALA A 45 -8.430 -4.257 6.096 1.00 0.77 C ATOM 405 C ALA A 45 -8.520 -5.077 4.815 1.00 0.61 C ATOM 406 O ALA A 45 -7.656 -5.913 4.543 1.00 0.58 O ATOM 407 CB ALA A 45 -9.432 -4.763 7.119 1.00 0.91 C ATOM 0 H ALA A 45 -9.440 -2.442 6.343 1.00 0.82 H new ATOM 0 HA ALA A 45 -7.423 -4.372 6.497 1.00 0.77 H new ATOM 0 HB1 ALA A 45 -9.255 -5.822 7.308 1.00 0.91 H new ATOM 0 HB2 ALA A 45 -9.317 -4.204 8.048 1.00 0.91 H new ATOM 0 HB3 ALA A 45 -10.443 -4.627 6.736 1.00 0.91 H new ATOM 413 N PHE A 46 -9.577 -4.829 4.046 1.00 0.63 N ATOM 414 CA PHE A 46 -9.805 -5.535 2.797 1.00 0.57 C ATOM 415 C PHE A 46 -8.592 -5.440 1.862 1.00 0.44 C ATOM 416 O PHE A 46 -8.170 -6.449 1.297 1.00 0.44 O ATOM 417 CB PHE A 46 -11.100 -5.018 2.145 1.00 0.69 C ATOM 418 CG PHE A 46 -10.987 -4.648 0.696 1.00 0.64 C ATOM 419 CD1 PHE A 46 -11.161 -5.595 -0.298 1.00 0.74 C ATOM 420 CD2 PHE A 46 -10.707 -3.346 0.335 1.00 0.57 C ATOM 421 CE1 PHE A 46 -11.057 -5.244 -1.627 1.00 0.78 C ATOM 422 CE2 PHE A 46 -10.601 -2.989 -0.986 1.00 0.61 C ATOM 423 CZ PHE A 46 -10.774 -3.938 -1.973 1.00 0.71 C ATOM 0 H PHE A 46 -10.292 -4.138 4.272 1.00 0.63 H new ATOM 0 HA PHE A 46 -9.933 -6.597 3.005 1.00 0.57 H new ATOM 0 HB2 PHE A 46 -11.869 -5.783 2.248 1.00 0.69 H new ATOM 0 HB3 PHE A 46 -11.443 -4.145 2.700 1.00 0.69 H new ATOM 0 HD1 PHE A 46 -11.380 -6.618 -0.030 1.00 0.74 H new ATOM 0 HD2 PHE A 46 -10.569 -2.598 1.102 1.00 0.57 H new ATOM 0 HE1 PHE A 46 -11.197 -5.989 -2.396 1.00 0.78 H new ATOM 0 HE2 PHE A 46 -10.382 -1.966 -1.253 1.00 0.61 H new ATOM 0 HZ PHE A 46 -10.688 -3.660 -3.013 1.00 0.71 H new ATOM 433 N LEU A 47 -8.007 -4.255 1.728 1.00 0.39 N ATOM 434 CA LEU A 47 -6.833 -4.096 0.879 1.00 0.35 C ATOM 435 C LEU A 47 -5.577 -4.531 1.619 1.00 0.38 C ATOM 436 O LEU A 47 -4.614 -4.935 0.994 1.00 0.47 O ATOM 437 CB LEU A 47 -6.698 -2.646 0.402 1.00 0.36 C ATOM 438 CG LEU A 47 -6.200 -1.663 1.454 1.00 0.38 C ATOM 439 CD1 LEU A 47 -4.691 -1.472 1.352 1.00 0.44 C ATOM 440 CD2 LEU A 47 -6.923 -0.334 1.317 1.00 0.42 C ATOM 0 H LEU A 47 -8.321 -3.401 2.189 1.00 0.39 H new ATOM 0 HA LEU A 47 -6.958 -4.733 0.003 1.00 0.35 H new ATOM 0 HB2 LEU A 47 -6.016 -2.621 -0.448 1.00 0.36 H new ATOM 0 HB3 LEU A 47 -7.669 -2.307 0.041 1.00 0.36 H new ATOM 0 HG LEU A 47 -6.417 -2.076 2.439 1.00 0.38 H new ATOM 0 HD11 LEU A 47 -4.361 -0.766 2.114 1.00 0.44 H new ATOM 0 HD12 LEU A 47 -4.192 -2.429 1.504 1.00 0.44 H new ATOM 0 HD13 LEU A 47 -4.439 -1.084 0.365 1.00 0.44 H new ATOM 0 HD21 LEU A 47 -6.557 0.359 2.075 1.00 0.42 H new ATOM 0 HD22 LEU A 47 -6.737 0.081 0.326 1.00 0.42 H new ATOM 0 HD23 LEU A 47 -7.994 -0.487 1.451 1.00 0.42 H new ATOM 452 N THR A 48 -5.584 -4.461 2.948 1.00 0.40 N ATOM 453 CA THR A 48 -4.410 -4.839 3.721 1.00 0.48 C ATOM 454 C THR A 48 -4.094 -6.310 3.511 1.00 0.48 C ATOM 455 O THR A 48 -2.992 -6.657 3.091 1.00 0.57 O ATOM 456 CB THR A 48 -4.582 -4.546 5.229 1.00 0.59 C ATOM 457 OG1 THR A 48 -4.749 -3.139 5.442 1.00 0.64 O ATOM 458 CG2 THR A 48 -3.377 -5.028 6.023 1.00 0.69 C ATOM 0 H THR A 48 -6.380 -4.150 3.504 1.00 0.40 H new ATOM 0 HA THR A 48 -3.579 -4.231 3.363 1.00 0.48 H new ATOM 0 HB THR A 48 -5.467 -5.081 5.572 1.00 0.59 H new ATOM 0 HG1 THR A 48 -5.510 -2.816 4.915 1.00 0.64 H new ATOM 0 HG21 THR A 48 -3.526 -4.808 7.080 1.00 0.69 H new ATOM 0 HG22 THR A 48 -3.259 -6.103 5.889 1.00 0.69 H new ATOM 0 HG23 THR A 48 -2.481 -4.518 5.670 1.00 0.69 H new ATOM 466 N GLY A 49 -5.069 -7.174 3.777 1.00 0.45 N ATOM 467 CA GLY A 49 -4.866 -8.593 3.565 1.00 0.50 C ATOM 468 C GLY A 49 -4.527 -8.902 2.121 1.00 0.42 C ATOM 469 O GLY A 49 -3.606 -9.672 1.840 1.00 0.42 O ATOM 0 H GLY A 49 -5.990 -6.918 4.133 1.00 0.45 H new ATOM 0 HA2 GLY A 49 -4.062 -8.946 4.211 1.00 0.50 H new ATOM 0 HA3 GLY A 49 -5.767 -9.136 3.851 1.00 0.50 H new ATOM 473 N LEU A 50 -5.268 -8.281 1.214 1.00 0.43 N ATOM 474 CA LEU A 50 -5.036 -8.474 -0.212 1.00 0.42 C ATOM 475 C LEU A 50 -3.632 -8.026 -0.606 1.00 0.41 C ATOM 476 O LEU A 50 -2.834 -8.826 -1.088 1.00 0.46 O ATOM 477 CB LEU A 50 -6.075 -7.732 -1.050 1.00 0.44 C ATOM 478 CG LEU A 50 -7.469 -8.359 -1.052 1.00 0.46 C ATOM 479 CD1 LEU A 50 -8.395 -7.591 -1.980 1.00 0.58 C ATOM 480 CD2 LEU A 50 -7.396 -9.823 -1.463 1.00 0.48 C ATOM 0 H LEU A 50 -6.031 -7.642 1.438 1.00 0.43 H new ATOM 0 HA LEU A 50 -5.131 -9.541 -0.413 1.00 0.42 H new ATOM 0 HB2 LEU A 50 -6.153 -6.709 -0.682 1.00 0.44 H new ATOM 0 HB3 LEU A 50 -5.717 -7.674 -2.078 1.00 0.44 H new ATOM 0 HG LEU A 50 -7.872 -8.306 -0.041 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -9.383 -8.051 -1.970 1.00 0.58 H new ATOM 0 HD12 LEU A 50 -8.472 -6.557 -1.643 1.00 0.58 H new ATOM 0 HD13 LEU A 50 -7.995 -7.614 -2.994 1.00 0.58 H new ATOM 0 HD21 LEU A 50 -8.398 -10.253 -1.459 1.00 0.48 H new ATOM 0 HD22 LEU A 50 -6.973 -9.899 -2.465 1.00 0.48 H new ATOM 0 HD23 LEU A 50 -6.765 -10.367 -0.760 1.00 0.48 H new ATOM 492 N ALA A 51 -3.330 -6.760 -0.352 1.00 0.38 N ATOM 493 CA ALA A 51 -2.071 -6.155 -0.778 1.00 0.39 C ATOM 494 C ALA A 51 -0.850 -6.838 -0.167 1.00 0.43 C ATOM 495 O ALA A 51 0.188 -6.966 -0.822 1.00 0.47 O ATOM 496 CB ALA A 51 -2.072 -4.669 -0.454 1.00 0.38 C ATOM 0 H ALA A 51 -3.947 -6.124 0.153 1.00 0.38 H new ATOM 0 HA ALA A 51 -1.996 -6.293 -1.857 1.00 0.39 H new ATOM 0 HB1 ALA A 51 -1.129 -4.226 -0.775 1.00 0.38 H new ATOM 0 HB2 ALA A 51 -2.897 -4.184 -0.975 1.00 0.38 H new ATOM 0 HB3 ALA A 51 -2.190 -4.531 0.621 1.00 0.38 H new ATOM 502 N ARG A 52 -0.966 -7.275 1.085 1.00 0.45 N ATOM 503 CA ARG A 52 0.132 -7.976 1.745 1.00 0.51 C ATOM 504 C ARG A 52 0.456 -9.267 1.008 1.00 0.60 C ATOM 505 O ARG A 52 1.623 -9.577 0.766 1.00 0.75 O ATOM 506 CB ARG A 52 -0.205 -8.299 3.203 1.00 0.54 C ATOM 507 CG ARG A 52 -0.289 -7.086 4.113 1.00 1.12 C ATOM 508 CD ARG A 52 -0.483 -7.496 5.567 1.00 1.04 C ATOM 509 NE ARG A 52 -1.611 -8.414 5.743 1.00 1.51 N ATOM 510 CZ ARG A 52 -1.688 -9.316 6.726 1.00 1.87 C ATOM 511 NH1 ARG A 52 -0.723 -9.389 7.635 1.00 1.75 N ATOM 512 NH2 ARG A 52 -2.733 -10.133 6.811 1.00 2.79 N ATOM 0 H ARG A 52 -1.801 -7.157 1.658 1.00 0.45 H new ATOM 0 HA ARG A 52 0.998 -7.315 1.727 1.00 0.51 H new ATOM 0 HB2 ARG A 52 -1.158 -8.828 3.234 1.00 0.54 H new ATOM 0 HB3 ARG A 52 0.550 -8.980 3.595 1.00 0.54 H new ATOM 0 HG2 ARG A 52 0.621 -6.494 4.018 1.00 1.12 H new ATOM 0 HG3 ARG A 52 -1.117 -6.450 3.799 1.00 1.12 H new ATOM 0 HD2 ARG A 52 0.428 -7.970 5.933 1.00 1.04 H new ATOM 0 HD3 ARG A 52 -0.645 -6.605 6.174 1.00 1.04 H new ATOM 0 HE ARG A 52 -2.382 -8.362 5.077 1.00 1.51 H new ATOM 0 HH11 ARG A 52 0.076 -8.757 7.583 1.00 1.75 H new ATOM 0 HH12 ARG A 52 -0.781 -10.077 8.386 1.00 1.75 H new ATOM 0 HH21 ARG A 52 -3.484 -10.074 6.123 1.00 2.79 H new ATOM 0 HH22 ARG A 52 -2.784 -10.819 7.564 1.00 2.79 H new ATOM 526 N SER A 53 -0.586 -9.999 0.639 1.00 0.54 N ATOM 527 CA SER A 53 -0.432 -11.282 -0.026 1.00 0.61 C ATOM 528 C SER A 53 0.017 -11.085 -1.472 1.00 0.61 C ATOM 529 O SER A 53 0.663 -11.960 -2.059 1.00 0.69 O ATOM 530 CB SER A 53 -1.756 -12.051 0.026 1.00 0.63 C ATOM 531 OG SER A 53 -1.628 -13.363 -0.504 1.00 1.36 O ATOM 0 H SER A 53 -1.555 -9.721 0.792 1.00 0.54 H new ATOM 0 HA SER A 53 0.334 -11.860 0.490 1.00 0.61 H new ATOM 0 HB2 SER A 53 -2.102 -12.109 1.058 1.00 0.63 H new ATOM 0 HB3 SER A 53 -2.515 -11.505 -0.535 1.00 0.63 H new ATOM 0 HG SER A 53 -2.492 -13.822 -0.452 1.00 1.36 H new ATOM 537 N LYS A 54 -0.311 -9.928 -2.037 1.00 0.57 N ATOM 538 CA LYS A 54 0.058 -9.614 -3.410 1.00 0.60 C ATOM 539 C LYS A 54 1.550 -9.331 -3.524 1.00 0.63 C ATOM 540 O LYS A 54 2.267 -10.017 -4.251 1.00 0.76 O ATOM 541 CB LYS A 54 -0.727 -8.405 -3.933 1.00 0.56 C ATOM 542 CG LYS A 54 -2.236 -8.585 -3.948 1.00 0.54 C ATOM 543 CD LYS A 54 -2.670 -9.702 -4.879 1.00 0.60 C ATOM 544 CE LYS A 54 -4.183 -9.861 -4.885 1.00 0.64 C ATOM 545 NZ LYS A 54 -4.629 -10.957 -5.786 1.00 0.83 N ATOM 0 H LYS A 54 -0.833 -9.191 -1.563 1.00 0.57 H new ATOM 0 HA LYS A 54 -0.188 -10.486 -4.016 1.00 0.60 H new ATOM 0 HB2 LYS A 54 -0.484 -7.538 -3.318 1.00 0.56 H new ATOM 0 HB3 LYS A 54 -0.391 -8.182 -4.946 1.00 0.56 H new ATOM 0 HG2 LYS A 54 -2.585 -8.800 -2.938 1.00 0.54 H new ATOM 0 HG3 LYS A 54 -2.709 -7.653 -4.257 1.00 0.54 H new ATOM 0 HD2 LYS A 54 -2.320 -9.492 -5.890 1.00 0.60 H new ATOM 0 HD3 LYS A 54 -2.205 -10.638 -4.569 1.00 0.60 H new ATOM 0 HE2 LYS A 54 -4.529 -10.063 -3.871 1.00 0.64 H new ATOM 0 HE3 LYS A 54 -4.644 -8.924 -5.199 1.00 0.64 H new ATOM 0 HZ1 LYS A 54 -5.666 -11.029 -5.758 1.00 0.83 H new ATOM 0 HZ2 LYS A 54 -4.322 -10.754 -6.759 1.00 0.83 H new ATOM 0 HZ3 LYS A 54 -4.211 -11.856 -5.472 1.00 0.83 H new ATOM 559 N GLY A 55 2.018 -8.318 -2.801 1.00 0.56 N ATOM 560 CA GLY A 55 3.414 -7.938 -2.909 1.00 0.61 C ATOM 561 C GLY A 55 3.664 -6.481 -2.578 1.00 0.54 C ATOM 562 O GLY A 55 4.453 -5.831 -3.245 1.00 0.57 O ATOM 0 H GLY A 55 1.464 -7.760 -2.151 1.00 0.56 H new ATOM 0 HA2 GLY A 55 4.006 -8.562 -2.240 1.00 0.61 H new ATOM 0 HA3 GLY A 55 3.761 -8.138 -3.923 1.00 0.61 H new ATOM 566 N PHE A 56 2.999 -5.941 -1.570 1.00 0.50 N ATOM 567 CA PHE A 56 3.085 -4.503 -1.336 1.00 0.47 C ATOM 568 C PHE A 56 3.408 -4.163 0.106 1.00 0.42 C ATOM 569 O PHE A 56 3.028 -4.884 1.032 1.00 0.65 O ATOM 570 CB PHE A 56 1.784 -3.829 -1.760 1.00 0.66 C ATOM 571 CG PHE A 56 1.418 -4.134 -3.181 1.00 0.56 C ATOM 572 CD1 PHE A 56 2.177 -3.636 -4.228 1.00 0.61 C ATOM 573 CD2 PHE A 56 0.325 -4.926 -3.471 1.00 0.53 C ATOM 574 CE1 PHE A 56 1.850 -3.931 -5.533 1.00 0.58 C ATOM 575 CE2 PHE A 56 -0.004 -5.222 -4.778 1.00 0.48 C ATOM 576 CZ PHE A 56 0.757 -4.724 -5.810 1.00 0.47 C ATOM 0 H PHE A 56 2.409 -6.456 -0.916 1.00 0.50 H new ATOM 0 HA PHE A 56 3.910 -4.126 -1.941 1.00 0.47 H new ATOM 0 HB2 PHE A 56 0.978 -4.155 -1.102 1.00 0.66 H new ATOM 0 HB3 PHE A 56 1.880 -2.750 -1.636 1.00 0.66 H new ATOM 0 HD1 PHE A 56 3.033 -3.011 -4.019 1.00 0.61 H new ATOM 0 HD2 PHE A 56 -0.279 -5.318 -2.666 1.00 0.53 H new ATOM 0 HE1 PHE A 56 2.451 -3.540 -6.341 1.00 0.58 H new ATOM 0 HE2 PHE A 56 -0.860 -5.845 -4.991 1.00 0.48 H new ATOM 0 HZ PHE A 56 0.499 -4.953 -6.833 1.00 0.47 H new ATOM 586 N ARG A 57 4.137 -3.065 0.281 1.00 0.46 N ATOM 587 CA ARG A 57 4.480 -2.559 1.600 1.00 0.68 C ATOM 588 C ARG A 57 3.520 -1.483 2.027 1.00 0.79 C ATOM 589 O ARG A 57 3.547 -0.367 1.507 1.00 1.17 O ATOM 590 CB ARG A 57 5.871 -1.949 1.620 1.00 0.93 C ATOM 591 CG ARG A 57 6.288 -1.371 2.968 1.00 0.72 C ATOM 592 CD ARG A 57 7.311 -0.260 2.791 1.00 1.01 C ATOM 593 NE ARG A 57 7.891 0.173 4.058 1.00 1.72 N ATOM 594 CZ ARG A 57 8.808 1.135 4.173 1.00 2.00 C ATOM 595 NH1 ARG A 57 9.292 1.744 3.098 1.00 1.80 N ATOM 596 NH2 ARG A 57 9.274 1.470 5.364 1.00 3.00 N ATOM 0 H ARG A 57 4.505 -2.504 -0.488 1.00 0.46 H new ATOM 0 HA ARG A 57 4.434 -3.412 2.277 1.00 0.68 H new ATOM 0 HB2 ARG A 57 6.593 -2.711 1.327 1.00 0.93 H new ATOM 0 HB3 ARG A 57 5.919 -1.160 0.870 1.00 0.93 H new ATOM 0 HG2 ARG A 57 5.412 -0.984 3.489 1.00 0.72 H new ATOM 0 HG3 ARG A 57 6.707 -2.160 3.592 1.00 0.72 H new ATOM 0 HD2 ARG A 57 8.106 -0.605 2.130 1.00 1.01 H new ATOM 0 HD3 ARG A 57 6.837 0.591 2.302 1.00 1.01 H new ATOM 0 HE ARG A 57 7.575 -0.290 4.910 1.00 1.72 H new ATOM 0 HH11 ARG A 57 8.963 1.478 2.170 1.00 1.80 H new ATOM 0 HH12 ARG A 57 9.993 2.478 3.200 1.00 1.80 H new ATOM 0 HH21 ARG A 57 8.932 0.992 6.198 1.00 3.00 H new ATOM 0 HH22 ARG A 57 9.975 2.206 5.449 1.00 3.00 H new ATOM 610 N VAL A 58 2.677 -1.809 2.965 1.00 0.67 N ATOM 611 CA VAL A 58 1.917 -0.810 3.645 1.00 0.69 C ATOM 612 C VAL A 58 2.803 -0.034 4.613 1.00 0.68 C ATOM 613 O VAL A 58 3.460 -0.608 5.485 1.00 0.73 O ATOM 614 CB VAL A 58 0.764 -1.469 4.407 1.00 0.76 C ATOM 615 CG1 VAL A 58 0.030 -0.464 5.282 1.00 0.81 C ATOM 616 CG2 VAL A 58 -0.200 -2.152 3.445 1.00 0.88 C ATOM 0 H VAL A 58 2.501 -2.765 3.274 1.00 0.67 H new ATOM 0 HA VAL A 58 1.513 -0.114 2.910 1.00 0.69 H new ATOM 0 HB VAL A 58 1.192 -2.228 5.061 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -0.782 -0.965 5.809 1.00 0.81 H new ATOM 0 HG12 VAL A 58 0.724 -0.037 6.007 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -0.378 0.332 4.659 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -1.011 -2.613 4.009 1.00 0.88 H new ATOM 0 HG22 VAL A 58 -0.611 -1.414 2.756 1.00 0.88 H new ATOM 0 HG23 VAL A 58 0.331 -2.918 2.881 1.00 0.88 H new ATOM 626 N LEU A 59 2.806 1.272 4.431 1.00 0.70 N ATOM 627 CA LEU A 59 3.629 2.184 5.202 1.00 0.77 C ATOM 628 C LEU A 59 2.828 2.660 6.416 1.00 0.91 C ATOM 629 O LEU A 59 1.649 2.983 6.296 1.00 1.02 O ATOM 630 CB LEU A 59 4.035 3.339 4.268 1.00 0.74 C ATOM 631 CG LEU A 59 5.053 4.360 4.788 1.00 0.87 C ATOM 632 CD1 LEU A 59 4.363 5.453 5.582 1.00 1.13 C ATOM 633 CD2 LEU A 59 6.130 3.688 5.622 1.00 0.99 C ATOM 0 H LEU A 59 2.227 1.737 3.732 1.00 0.70 H new ATOM 0 HA LEU A 59 4.535 1.710 5.580 1.00 0.77 H new ATOM 0 HB2 LEU A 59 4.436 2.903 3.353 1.00 0.74 H new ATOM 0 HB3 LEU A 59 3.130 3.880 3.993 1.00 0.74 H new ATOM 0 HG LEU A 59 5.536 4.817 3.924 1.00 0.87 H new ATOM 0 HD11 LEU A 59 5.105 6.166 5.941 1.00 1.13 H new ATOM 0 HD12 LEU A 59 3.644 5.968 4.944 1.00 1.13 H new ATOM 0 HD13 LEU A 59 3.843 5.012 6.432 1.00 1.13 H new ATOM 0 HD21 LEU A 59 6.837 4.438 5.976 1.00 0.99 H new ATOM 0 HD22 LEU A 59 5.671 3.190 6.476 1.00 0.99 H new ATOM 0 HD23 LEU A 59 6.656 2.953 5.013 1.00 0.99 H new ATOM 645 N ASP A 60 3.449 2.646 7.589 1.00 1.06 N ATOM 646 CA ASP A 60 2.747 2.974 8.827 1.00 1.31 C ATOM 647 C ASP A 60 2.736 4.474 9.098 1.00 1.32 C ATOM 648 O ASP A 60 3.347 5.255 8.372 1.00 2.09 O ATOM 649 CB ASP A 60 3.366 2.232 10.013 1.00 1.89 C ATOM 650 CG ASP A 60 3.156 0.734 9.935 1.00 2.15 C ATOM 651 OD1 ASP A 60 2.057 0.258 10.294 1.00 2.30 O ATOM 652 OD2 ASP A 60 4.091 0.018 9.517 1.00 2.89 O ATOM 0 H ASP A 60 4.434 2.412 7.711 1.00 1.06 H new ATOM 0 HA ASP A 60 1.713 2.651 8.703 1.00 1.31 H new ATOM 0 HB2 ASP A 60 4.434 2.444 10.052 1.00 1.89 H new ATOM 0 HB3 ASP A 60 2.932 2.609 10.939 1.00 1.89 H new ATOM 657 N ALA A 61 2.055 4.869 10.164 1.00 1.32 N ATOM 658 CA ALA A 61 1.870 6.277 10.471 1.00 1.55 C ATOM 659 C ALA A 61 3.119 6.870 11.106 1.00 1.25 C ATOM 660 O ALA A 61 3.992 6.139 11.581 1.00 1.76 O ATOM 661 CB ALA A 61 0.666 6.469 11.384 1.00 2.66 C ATOM 0 H ALA A 61 1.621 4.231 10.831 1.00 1.32 H new ATOM 0 HA ALA A 61 1.687 6.804 9.535 1.00 1.55 H new ATOM 0 HB1 ALA A 61 0.542 7.529 11.604 1.00 2.66 H new ATOM 0 HB2 ALA A 61 -0.230 6.094 10.889 1.00 2.66 H new ATOM 0 HB3 ALA A 61 0.823 5.922 12.313 1.00 2.66 H new ATOM 667 N CYS A 62 3.201 8.199 11.075 1.00 1.19 N ATOM 668 CA CYS A 62 4.318 8.946 11.655 1.00 1.18 C ATOM 669 C CYS A 62 5.602 8.732 10.853 1.00 1.18 C ATOM 670 O CYS A 62 6.680 9.162 11.258 1.00 1.66 O ATOM 671 CB CYS A 62 4.527 8.566 13.124 1.00 1.44 C ATOM 672 SG CYS A 62 3.064 8.826 14.159 1.00 2.09 S ATOM 0 H CYS A 62 2.491 8.792 10.645 1.00 1.19 H new ATOM 0 HA CYS A 62 4.067 10.006 11.610 1.00 1.18 H new ATOM 0 HB2 CYS A 62 4.819 7.517 13.181 1.00 1.44 H new ATOM 0 HB3 CYS A 62 5.355 9.150 13.527 1.00 1.44 H new ATOM 0 HG CYS A 62 3.330 8.477 15.383 1.00 2.09 H new ATOM 678 N SER A 63 5.478 8.072 9.714 1.00 1.03 N ATOM 679 CA SER A 63 6.602 7.877 8.824 1.00 1.07 C ATOM 680 C SER A 63 6.418 8.714 7.565 1.00 1.01 C ATOM 681 O SER A 63 5.394 8.620 6.885 1.00 1.03 O ATOM 682 CB SER A 63 6.759 6.397 8.465 1.00 1.23 C ATOM 683 OG SER A 63 7.837 6.204 7.565 1.00 1.76 O ATOM 0 H SER A 63 4.604 7.661 9.386 1.00 1.03 H new ATOM 0 HA SER A 63 7.510 8.199 9.333 1.00 1.07 H new ATOM 0 HB2 SER A 63 6.929 5.815 9.371 1.00 1.23 H new ATOM 0 HB3 SER A 63 5.836 6.028 8.017 1.00 1.23 H new ATOM 0 HG SER A 63 8.126 5.268 7.596 1.00 1.76 H new ATOM 689 N SER A 64 7.398 9.550 7.271 1.00 1.04 N ATOM 690 CA SER A 64 7.375 10.361 6.065 1.00 1.05 C ATOM 691 C SER A 64 8.083 9.634 4.929 1.00 0.99 C ATOM 692 O SER A 64 8.268 10.179 3.841 1.00 1.01 O ATOM 693 CB SER A 64 8.024 11.715 6.330 1.00 1.23 C ATOM 694 OG SER A 64 7.427 12.337 7.454 1.00 1.95 O ATOM 0 H SER A 64 8.224 9.686 7.854 1.00 1.04 H new ATOM 0 HA SER A 64 6.339 10.529 5.770 1.00 1.05 H new ATOM 0 HB2 SER A 64 9.092 11.586 6.503 1.00 1.23 H new ATOM 0 HB3 SER A 64 7.918 12.354 5.453 1.00 1.23 H new ATOM 0 HG SER A 64 8.120 12.774 7.992 1.00 1.95 H new ATOM 700 N GLU A 65 8.452 8.386 5.196 1.00 0.97 N ATOM 701 CA GLU A 65 9.146 7.543 4.229 1.00 0.96 C ATOM 702 C GLU A 65 8.155 6.985 3.201 1.00 0.83 C ATOM 703 O GLU A 65 8.504 6.176 2.340 1.00 0.86 O ATOM 704 CB GLU A 65 9.856 6.412 4.985 1.00 1.04 C ATOM 705 CG GLU A 65 10.738 5.520 4.131 1.00 1.17 C ATOM 706 CD GLU A 65 11.513 4.525 4.964 1.00 1.41 C ATOM 707 OE1 GLU A 65 10.941 3.480 5.333 1.00 1.51 O ATOM 708 OE2 GLU A 65 12.705 4.770 5.240 1.00 1.70 O ATOM 0 H GLU A 65 8.278 7.929 6.091 1.00 0.97 H new ATOM 0 HA GLU A 65 9.886 8.130 3.685 1.00 0.96 H new ATOM 0 HB2 GLU A 65 10.466 6.851 5.774 1.00 1.04 H new ATOM 0 HB3 GLU A 65 9.103 5.793 5.472 1.00 1.04 H new ATOM 0 HG2 GLU A 65 10.121 4.985 3.408 1.00 1.17 H new ATOM 0 HG3 GLU A 65 11.434 6.136 3.562 1.00 1.17 H new ATOM 715 N ALA A 66 6.909 7.427 3.298 1.00 0.78 N ATOM 716 CA ALA A 66 5.871 7.003 2.375 1.00 0.71 C ATOM 717 C ALA A 66 6.103 7.565 0.984 1.00 0.66 C ATOM 718 O ALA A 66 6.591 8.681 0.823 1.00 0.90 O ATOM 719 CB ALA A 66 4.505 7.434 2.871 1.00 0.80 C ATOM 0 H ALA A 66 6.593 8.083 4.012 1.00 0.78 H new ATOM 0 HA ALA A 66 5.910 5.915 2.322 1.00 0.71 H new ATOM 0 HB1 ALA A 66 3.742 7.107 2.165 1.00 0.80 H new ATOM 0 HB2 ALA A 66 4.314 6.986 3.846 1.00 0.80 H new ATOM 0 HB3 ALA A 66 4.476 8.520 2.959 1.00 0.80 H new ATOM 725 N THR A 67 5.727 6.790 -0.013 1.00 0.57 N ATOM 726 CA THR A 67 5.833 7.215 -1.389 1.00 0.51 C ATOM 727 C THR A 67 4.646 6.671 -2.176 1.00 0.41 C ATOM 728 O THR A 67 4.824 5.969 -3.156 1.00 0.55 O ATOM 729 CB THR A 67 7.174 6.751 -2.023 1.00 0.62 C ATOM 730 OG1 THR A 67 7.267 7.191 -3.388 1.00 0.67 O ATOM 731 CG2 THR A 67 7.328 5.238 -1.955 1.00 0.70 C ATOM 0 H THR A 67 5.342 5.853 0.109 1.00 0.57 H new ATOM 0 HA THR A 67 5.821 8.304 -1.422 1.00 0.51 H new ATOM 0 HB THR A 67 7.982 7.202 -1.447 1.00 0.62 H new ATOM 0 HG1 THR A 67 6.511 6.833 -3.899 1.00 0.67 H new ATOM 0 HG21 THR A 67 8.276 4.948 -2.407 1.00 0.70 H new ATOM 0 HG22 THR A 67 7.309 4.917 -0.914 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.509 4.764 -2.496 1.00 0.70 H new ATOM 739 N HIS A 68 3.434 7.082 -1.766 1.00 0.50 N ATOM 740 CA HIS A 68 2.161 6.539 -2.294 1.00 0.42 C ATOM 741 C HIS A 68 1.030 6.761 -1.294 1.00 0.44 C ATOM 742 O HIS A 68 0.824 5.934 -0.409 1.00 0.61 O ATOM 743 CB HIS A 68 2.209 5.037 -2.657 1.00 0.51 C ATOM 744 CG HIS A 68 2.580 4.757 -4.094 1.00 0.50 C ATOM 745 ND1 HIS A 68 2.007 5.405 -5.165 1.00 1.34 N ATOM 746 CD2 HIS A 68 3.509 3.928 -4.621 1.00 1.05 C ATOM 747 CE1 HIS A 68 2.570 4.986 -6.283 1.00 1.10 C ATOM 748 NE2 HIS A 68 3.488 4.090 -5.983 1.00 0.72 N ATOM 0 H HIS A 68 3.304 7.803 -1.056 1.00 0.50 H new ATOM 0 HA HIS A 68 1.983 7.086 -3.220 1.00 0.42 H new ATOM 0 HB2 HIS A 68 2.928 4.540 -2.005 1.00 0.51 H new ATOM 0 HB3 HIS A 68 1.234 4.594 -2.453 1.00 0.51 H new ATOM 0 HD2 HIS A 68 4.152 3.259 -4.069 1.00 1.05 H new ATOM 0 HE1 HIS A 68 2.320 5.322 -7.278 1.00 1.10 H new ATOM 0 HE2 HIS A 68 4.083 3.599 -6.651 1.00 0.72 H new ATOM 757 N VAL A 69 0.311 7.877 -1.404 1.00 0.37 N ATOM 758 CA VAL A 69 -0.863 8.103 -0.579 1.00 0.36 C ATOM 759 C VAL A 69 -2.123 7.833 -1.395 1.00 0.34 C ATOM 760 O VAL A 69 -2.474 8.603 -2.285 1.00 0.43 O ATOM 761 CB VAL A 69 -0.911 9.546 -0.033 1.00 0.41 C ATOM 762 CG1 VAL A 69 -2.216 9.783 0.703 1.00 0.49 C ATOM 763 CG2 VAL A 69 0.279 9.816 0.885 1.00 0.43 C ATOM 0 H VAL A 69 0.524 8.633 -2.055 1.00 0.37 H new ATOM 0 HA VAL A 69 -0.808 7.421 0.269 1.00 0.36 H new ATOM 0 HB VAL A 69 -0.854 10.237 -0.874 1.00 0.41 H new ATOM 0 HG11 VAL A 69 -2.239 10.804 1.084 1.00 0.49 H new ATOM 0 HG12 VAL A 69 -3.052 9.632 0.020 1.00 0.49 H new ATOM 0 HG13 VAL A 69 -2.297 9.084 1.535 1.00 0.49 H new ATOM 0 HG21 VAL A 69 0.226 10.839 1.259 1.00 0.43 H new ATOM 0 HG22 VAL A 69 0.256 9.121 1.725 1.00 0.43 H new ATOM 0 HG23 VAL A 69 1.206 9.681 0.328 1.00 0.43 H new ATOM 773 N VAL A 70 -2.786 6.733 -1.095 1.00 0.35 N ATOM 774 CA VAL A 70 -3.963 6.316 -1.831 1.00 0.36 C ATOM 775 C VAL A 70 -5.222 6.481 -0.973 1.00 0.39 C ATOM 776 O VAL A 70 -5.436 5.747 -0.010 1.00 0.65 O ATOM 777 CB VAL A 70 -3.813 4.845 -2.279 1.00 0.46 C ATOM 778 CG1 VAL A 70 -2.910 4.736 -3.496 1.00 0.90 C ATOM 779 CG2 VAL A 70 -3.253 3.994 -1.153 1.00 0.69 C ATOM 0 H VAL A 70 -2.524 6.104 -0.336 1.00 0.35 H new ATOM 0 HA VAL A 70 -4.062 6.948 -2.714 1.00 0.36 H new ATOM 0 HB VAL A 70 -4.805 4.479 -2.543 1.00 0.46 H new ATOM 0 HG11 VAL A 70 -2.821 3.690 -3.791 1.00 0.90 H new ATOM 0 HG12 VAL A 70 -3.337 5.310 -4.318 1.00 0.90 H new ATOM 0 HG13 VAL A 70 -1.923 5.130 -3.253 1.00 0.90 H new ATOM 0 HG21 VAL A 70 -3.156 2.962 -1.491 1.00 0.69 H new ATOM 0 HG22 VAL A 70 -2.274 4.374 -0.862 1.00 0.69 H new ATOM 0 HG23 VAL A 70 -3.927 4.034 -0.297 1.00 0.69 H new ATOM 789 N MET A 71 -6.034 7.473 -1.308 1.00 0.35 N ATOM 790 CA MET A 71 -7.236 7.782 -0.534 1.00 0.34 C ATOM 791 C MET A 71 -8.501 7.483 -1.333 1.00 0.30 C ATOM 792 O MET A 71 -8.545 7.706 -2.544 1.00 0.37 O ATOM 793 CB MET A 71 -7.243 9.261 -0.145 1.00 0.45 C ATOM 794 CG MET A 71 -5.976 9.716 0.547 1.00 1.06 C ATOM 795 SD MET A 71 -5.996 11.468 0.986 1.00 1.38 S ATOM 796 CE MET A 71 -7.381 11.532 2.119 1.00 1.68 C ATOM 0 H MET A 71 -5.885 8.082 -2.113 1.00 0.35 H new ATOM 0 HA MET A 71 -7.223 7.156 0.358 1.00 0.34 H new ATOM 0 HB2 MET A 71 -7.392 9.862 -1.042 1.00 0.45 H new ATOM 0 HB3 MET A 71 -8.093 9.451 0.511 1.00 0.45 H new ATOM 0 HG2 MET A 71 -5.830 9.123 1.450 1.00 1.06 H new ATOM 0 HG3 MET A 71 -5.124 9.521 -0.104 1.00 1.06 H new ATOM 0 HE1 MET A 71 -8.231 12.005 1.628 1.00 1.68 H new ATOM 0 HE2 MET A 71 -7.653 10.520 2.419 1.00 1.68 H new ATOM 0 HE3 MET A 71 -7.103 12.110 3.001 1.00 1.68 H new ATOM 806 N GLU A 72 -9.531 6.986 -0.655 1.00 0.33 N ATOM 807 CA GLU A 72 -10.827 6.786 -1.288 1.00 0.39 C ATOM 808 C GLU A 72 -11.761 7.925 -0.896 1.00 0.41 C ATOM 809 O GLU A 72 -11.572 8.553 0.147 1.00 0.49 O ATOM 810 CB GLU A 72 -11.443 5.435 -0.902 1.00 0.56 C ATOM 811 CG GLU A 72 -11.863 5.328 0.553 1.00 1.10 C ATOM 812 CD GLU A 72 -12.610 4.040 0.845 1.00 1.59 C ATOM 813 OE1 GLU A 72 -13.146 3.428 -0.103 1.00 2.28 O ATOM 814 OE2 GLU A 72 -12.656 3.623 2.020 1.00 1.94 O ATOM 0 H GLU A 72 -9.493 6.716 0.328 1.00 0.33 H new ATOM 0 HA GLU A 72 -10.685 6.781 -2.369 1.00 0.39 H new ATOM 0 HB2 GLU A 72 -12.313 5.253 -1.533 1.00 0.56 H new ATOM 0 HB3 GLU A 72 -10.722 4.646 -1.118 1.00 0.56 H new ATOM 0 HG2 GLU A 72 -10.979 5.385 1.189 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -12.495 6.178 0.809 1.00 1.10 H new ATOM 821 N GLU A 73 -12.743 8.203 -1.754 1.00 0.51 N ATOM 822 CA GLU A 73 -13.695 9.298 -1.543 1.00 0.68 C ATOM 823 C GLU A 73 -12.974 10.645 -1.454 1.00 0.66 C ATOM 824 O GLU A 73 -13.513 11.617 -0.924 1.00 0.81 O ATOM 825 CB GLU A 73 -14.519 9.078 -0.267 1.00 0.87 C ATOM 826 CG GLU A 73 -15.248 7.747 -0.219 1.00 1.08 C ATOM 827 CD GLU A 73 -16.236 7.667 0.927 1.00 1.30 C ATOM 828 OE1 GLU A 73 -15.982 8.273 1.992 1.00 1.74 O ATOM 829 OE2 GLU A 73 -17.293 7.022 0.758 1.00 1.54 O ATOM 0 H GLU A 73 -12.902 7.678 -2.614 1.00 0.51 H new ATOM 0 HA GLU A 73 -14.367 9.310 -2.401 1.00 0.68 H new ATOM 0 HB2 GLU A 73 -13.857 9.148 0.596 1.00 0.87 H new ATOM 0 HB3 GLU A 73 -15.249 9.883 -0.176 1.00 0.87 H new ATOM 0 HG2 GLU A 73 -15.775 7.591 -1.160 1.00 1.08 H new ATOM 0 HG3 GLU A 73 -14.520 6.941 -0.124 1.00 1.08 H new ATOM 836 N THR A 74 -11.762 10.701 -1.983 1.00 0.57 N ATOM 837 CA THR A 74 -10.929 11.871 -1.840 1.00 0.56 C ATOM 838 C THR A 74 -10.532 12.437 -3.197 1.00 0.56 C ATOM 839 O THR A 74 -9.955 11.740 -4.033 1.00 0.75 O ATOM 840 CB THR A 74 -9.670 11.513 -1.038 1.00 0.77 C ATOM 841 OG1 THR A 74 -10.044 10.886 0.198 1.00 1.11 O ATOM 842 CG2 THR A 74 -8.839 12.743 -0.746 1.00 0.63 C ATOM 0 H THR A 74 -11.337 9.943 -2.517 1.00 0.57 H new ATOM 0 HA THR A 74 -11.500 12.633 -1.310 1.00 0.56 H new ATOM 0 HB THR A 74 -9.071 10.826 -1.637 1.00 0.77 H new ATOM 0 HG1 THR A 74 -10.435 10.007 0.013 1.00 1.11 H new ATOM 0 HG21 THR A 74 -7.954 12.458 -0.177 1.00 0.63 H new ATOM 0 HG22 THR A 74 -8.533 13.207 -1.684 1.00 0.63 H new ATOM 0 HG23 THR A 74 -9.430 13.452 -0.166 1.00 0.63 H new ATOM 850 N SER A 75 -10.865 13.699 -3.421 1.00 0.55 N ATOM 851 CA SER A 75 -10.485 14.376 -4.644 1.00 0.63 C ATOM 852 C SER A 75 -9.041 14.872 -4.558 1.00 0.53 C ATOM 853 O SER A 75 -8.359 14.648 -3.554 1.00 0.52 O ATOM 854 CB SER A 75 -11.427 15.547 -4.902 1.00 0.76 C ATOM 855 OG SER A 75 -12.782 15.132 -4.882 1.00 1.31 O ATOM 0 H SER A 75 -11.399 14.273 -2.768 1.00 0.55 H new ATOM 0 HA SER A 75 -10.558 13.669 -5.471 1.00 0.63 H new ATOM 0 HB2 SER A 75 -11.269 16.317 -4.147 1.00 0.76 H new ATOM 0 HB3 SER A 75 -11.196 15.996 -5.868 1.00 0.76 H new ATOM 0 HG SER A 75 -13.363 15.904 -5.049 1.00 1.31 H new ATOM 861 N ALA A 76 -8.596 15.557 -5.606 1.00 0.52 N ATOM 862 CA ALA A 76 -7.221 16.032 -5.705 1.00 0.49 C ATOM 863 C ALA A 76 -6.829 16.906 -4.524 1.00 0.40 C ATOM 864 O ALA A 76 -5.943 16.565 -3.744 1.00 0.41 O ATOM 865 CB ALA A 76 -7.041 16.834 -6.980 1.00 0.57 C ATOM 0 H ALA A 76 -9.177 15.798 -6.409 1.00 0.52 H new ATOM 0 HA ALA A 76 -6.579 15.151 -5.710 1.00 0.49 H new ATOM 0 HB1 ALA A 76 -6.011 17.185 -7.047 1.00 0.57 H new ATOM 0 HB2 ALA A 76 -7.266 16.204 -7.841 1.00 0.57 H new ATOM 0 HB3 ALA A 76 -7.716 17.690 -6.970 1.00 0.57 H new ATOM 871 N GLU A 77 -7.523 18.023 -4.390 1.00 0.42 N ATOM 872 CA GLU A 77 -7.170 19.042 -3.416 1.00 0.44 C ATOM 873 C GLU A 77 -7.440 18.571 -1.987 1.00 0.38 C ATOM 874 O GLU A 77 -6.716 18.948 -1.064 1.00 0.39 O ATOM 875 CB GLU A 77 -7.893 20.359 -3.736 1.00 0.61 C ATOM 876 CG GLU A 77 -9.410 20.319 -3.614 1.00 1.06 C ATOM 877 CD GLU A 77 -10.065 19.194 -4.386 1.00 1.33 C ATOM 878 OE1 GLU A 77 -9.969 19.195 -5.630 1.00 1.80 O ATOM 879 OE2 GLU A 77 -10.682 18.314 -3.755 1.00 1.91 O ATOM 0 H GLU A 77 -8.344 18.249 -4.951 1.00 0.42 H new ATOM 0 HA GLU A 77 -6.098 19.225 -3.484 1.00 0.44 H new ATOM 0 HB2 GLU A 77 -7.512 21.133 -3.070 1.00 0.61 H new ATOM 0 HB3 GLU A 77 -7.635 20.657 -4.752 1.00 0.61 H new ATOM 0 HG2 GLU A 77 -9.676 20.225 -2.561 1.00 1.06 H new ATOM 0 HG3 GLU A 77 -9.816 21.268 -3.962 1.00 1.06 H new ATOM 886 N GLU A 78 -8.497 17.779 -1.803 1.00 0.41 N ATOM 887 CA GLU A 78 -8.703 17.044 -0.552 1.00 0.43 C ATOM 888 C GLU A 78 -7.409 16.384 -0.073 1.00 0.38 C ATOM 889 O GLU A 78 -6.921 16.667 1.024 1.00 0.40 O ATOM 890 CB GLU A 78 -9.771 15.965 -0.745 1.00 0.51 C ATOM 891 CG GLU A 78 -11.192 16.490 -0.793 1.00 0.59 C ATOM 892 CD GLU A 78 -11.652 17.009 0.548 1.00 1.23 C ATOM 893 OE1 GLU A 78 -12.075 16.188 1.391 1.00 1.95 O ATOM 894 OE2 GLU A 78 -11.590 18.237 0.762 1.00 1.38 O ATOM 0 H GLU A 78 -9.224 17.629 -2.503 1.00 0.41 H new ATOM 0 HA GLU A 78 -9.029 17.761 0.201 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -9.564 15.428 -1.671 1.00 0.51 H new ATOM 0 HB3 GLU A 78 -9.691 15.243 0.067 1.00 0.51 H new ATOM 0 HG2 GLU A 78 -11.258 17.288 -1.532 1.00 0.59 H new ATOM 0 HG3 GLU A 78 -11.861 15.695 -1.122 1.00 0.59 H new ATOM 901 N ALA A 79 -6.846 15.522 -0.910 1.00 0.34 N ATOM 902 CA ALA A 79 -5.630 14.801 -0.562 1.00 0.32 C ATOM 903 C ALA A 79 -4.423 15.732 -0.539 1.00 0.33 C ATOM 904 O ALA A 79 -3.421 15.442 0.109 1.00 0.38 O ATOM 905 CB ALA A 79 -5.408 13.644 -1.521 1.00 0.32 C ATOM 0 H ALA A 79 -7.214 15.305 -1.836 1.00 0.34 H new ATOM 0 HA ALA A 79 -5.751 14.396 0.443 1.00 0.32 H new ATOM 0 HB1 ALA A 79 -4.495 13.115 -1.248 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -6.254 12.959 -1.467 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -5.315 14.027 -2.537 1.00 0.32 H new ATOM 911 N VAL A 80 -4.522 16.864 -1.232 1.00 0.33 N ATOM 912 CA VAL A 80 -3.449 17.851 -1.231 1.00 0.39 C ATOM 913 C VAL A 80 -3.385 18.542 0.127 1.00 0.45 C ATOM 914 O VAL A 80 -2.306 18.814 0.648 1.00 0.52 O ATOM 915 CB VAL A 80 -3.621 18.901 -2.357 1.00 0.43 C ATOM 916 CG1 VAL A 80 -2.665 20.070 -2.167 1.00 0.50 C ATOM 917 CG2 VAL A 80 -3.396 18.264 -3.718 1.00 0.44 C ATOM 0 H VAL A 80 -5.331 17.118 -1.799 1.00 0.33 H new ATOM 0 HA VAL A 80 -2.514 17.324 -1.420 1.00 0.39 H new ATOM 0 HB VAL A 80 -4.642 19.280 -2.306 1.00 0.43 H new ATOM 0 HG11 VAL A 80 -2.808 20.791 -2.972 1.00 0.50 H new ATOM 0 HG12 VAL A 80 -2.864 20.551 -1.209 1.00 0.50 H new ATOM 0 HG13 VAL A 80 -1.638 19.706 -2.184 1.00 0.50 H new ATOM 0 HG21 VAL A 80 -3.521 19.016 -4.497 1.00 0.44 H new ATOM 0 HG22 VAL A 80 -2.386 17.856 -3.766 1.00 0.44 H new ATOM 0 HG23 VAL A 80 -4.119 17.462 -3.869 1.00 0.44 H new ATOM 927 N SER A 81 -4.549 18.799 0.704 1.00 0.46 N ATOM 928 CA SER A 81 -4.617 19.344 2.051 1.00 0.55 C ATOM 929 C SER A 81 -4.075 18.321 3.046 1.00 0.53 C ATOM 930 O SER A 81 -3.309 18.658 3.949 1.00 0.59 O ATOM 931 CB SER A 81 -6.059 19.726 2.388 1.00 0.59 C ATOM 932 OG SER A 81 -6.583 20.620 1.415 1.00 1.03 O ATOM 0 H SER A 81 -5.455 18.640 0.263 1.00 0.46 H new ATOM 0 HA SER A 81 -4.005 20.244 2.112 1.00 0.55 H new ATOM 0 HB2 SER A 81 -6.677 18.829 2.435 1.00 0.59 H new ATOM 0 HB3 SER A 81 -6.097 20.191 3.373 1.00 0.59 H new ATOM 0 HG SER A 81 -6.693 20.148 0.563 1.00 1.03 H new ATOM 938 N TRP A 82 -4.488 17.071 2.881 1.00 0.46 N ATOM 939 CA TRP A 82 -3.902 15.971 3.634 1.00 0.47 C ATOM 940 C TRP A 82 -2.378 15.910 3.451 1.00 0.48 C ATOM 941 O TRP A 82 -1.644 15.624 4.398 1.00 0.52 O ATOM 942 CB TRP A 82 -4.553 14.652 3.220 1.00 0.46 C ATOM 943 CG TRP A 82 -3.671 13.471 3.434 1.00 0.42 C ATOM 944 CD1 TRP A 82 -3.015 12.772 2.469 1.00 0.42 C ATOM 945 CD2 TRP A 82 -3.322 12.859 4.683 1.00 0.42 C ATOM 946 NE1 TRP A 82 -2.284 11.765 3.035 1.00 0.41 N ATOM 947 CE2 TRP A 82 -2.456 11.794 4.391 1.00 0.40 C ATOM 948 CE3 TRP A 82 -3.658 13.107 6.017 1.00 0.46 C ATOM 949 CZ2 TRP A 82 -1.919 10.976 5.375 1.00 0.41 C ATOM 950 CZ3 TRP A 82 -3.123 12.293 6.998 1.00 0.46 C ATOM 951 CH2 TRP A 82 -2.262 11.238 6.670 1.00 0.43 C ATOM 0 H TRP A 82 -5.226 16.794 2.233 1.00 0.46 H new ATOM 0 HA TRP A 82 -4.093 16.143 4.693 1.00 0.47 H new ATOM 0 HB2 TRP A 82 -5.475 14.516 3.785 1.00 0.46 H new ATOM 0 HB3 TRP A 82 -4.829 14.705 2.167 1.00 0.46 H new ATOM 0 HD1 TRP A 82 -3.064 12.982 1.411 1.00 0.42 H new ATOM 0 HE1 TRP A 82 -1.703 11.098 2.527 1.00 0.41 H new ATOM 0 HE3 TRP A 82 -4.322 13.918 6.276 1.00 0.46 H new ATOM 0 HZ2 TRP A 82 -1.254 10.162 5.125 1.00 0.41 H new ATOM 0 HZ3 TRP A 82 -3.373 12.473 8.033 1.00 0.46 H new ATOM 0 HH2 TRP A 82 -1.861 10.619 7.459 1.00 0.43 H new ATOM 962 N GLN A 83 -1.909 16.173 2.237 1.00 0.49 N ATOM 963 CA GLN A 83 -0.476 16.216 1.954 1.00 0.55 C ATOM 964 C GLN A 83 0.218 17.249 2.838 1.00 0.60 C ATOM 965 O GLN A 83 1.379 17.085 3.214 1.00 0.61 O ATOM 966 CB GLN A 83 -0.246 16.542 0.482 1.00 0.64 C ATOM 967 CG GLN A 83 1.217 16.612 0.079 1.00 0.84 C ATOM 968 CD GLN A 83 1.396 17.102 -1.343 1.00 1.04 C ATOM 969 OE1 GLN A 83 2.349 16.732 -2.026 1.00 1.48 O ATOM 970 NE2 GLN A 83 0.479 17.940 -1.797 1.00 0.98 N ATOM 0 H GLN A 83 -2.502 16.361 1.428 1.00 0.49 H new ATOM 0 HA GLN A 83 -0.049 15.237 2.173 1.00 0.55 H new ATOM 0 HB2 GLN A 83 -0.743 15.787 -0.127 1.00 0.64 H new ATOM 0 HB3 GLN A 83 -0.720 17.497 0.255 1.00 0.64 H new ATOM 0 HG2 GLN A 83 1.748 17.277 0.760 1.00 0.84 H new ATOM 0 HG3 GLN A 83 1.668 15.625 0.181 1.00 0.84 H new ATOM 0 HE21 GLN A 83 -0.296 18.222 -1.197 1.00 0.98 H new ATOM 0 HE22 GLN A 83 0.547 18.305 -2.747 1.00 0.98 H new ATOM 979 N GLU A 84 -0.506 18.300 3.176 1.00 0.68 N ATOM 980 CA GLU A 84 0.000 19.315 4.083 1.00 0.78 C ATOM 981 C GLU A 84 0.125 18.761 5.504 1.00 0.82 C ATOM 982 O GLU A 84 0.972 19.201 6.278 1.00 0.95 O ATOM 983 CB GLU A 84 -0.892 20.549 4.050 1.00 0.86 C ATOM 984 CG GLU A 84 -0.716 21.363 2.784 1.00 0.94 C ATOM 985 CD GLU A 84 0.678 21.939 2.661 1.00 1.25 C ATOM 986 OE1 GLU A 84 0.931 23.025 3.225 1.00 1.47 O ATOM 987 OE2 GLU A 84 1.528 21.309 1.999 1.00 1.61 O ATOM 0 H GLU A 84 -1.451 18.474 2.834 1.00 0.68 H new ATOM 0 HA GLU A 84 0.997 19.608 3.753 1.00 0.78 H new ATOM 0 HB2 GLU A 84 -1.934 20.242 4.138 1.00 0.86 H new ATOM 0 HB3 GLU A 84 -0.671 21.176 4.914 1.00 0.86 H new ATOM 0 HG2 GLU A 84 -0.925 20.734 1.918 1.00 0.94 H new ATOM 0 HG3 GLU A 84 -1.444 22.174 2.772 1.00 0.94 H new ATOM 994 N ARG A 85 -0.715 17.789 5.839 1.00 0.77 N ATOM 995 CA ARG A 85 -0.596 17.080 7.114 1.00 0.87 C ATOM 996 C ARG A 85 0.599 16.129 7.068 1.00 0.80 C ATOM 997 O ARG A 85 1.198 15.809 8.093 1.00 0.93 O ATOM 998 CB ARG A 85 -1.869 16.289 7.422 1.00 0.96 C ATOM 999 CG ARG A 85 -3.092 17.150 7.658 1.00 1.23 C ATOM 1000 CD ARG A 85 -3.044 17.773 9.039 1.00 1.45 C ATOM 1001 NE ARG A 85 -3.115 16.767 10.101 1.00 2.09 N ATOM 1002 CZ ARG A 85 -4.211 16.501 10.812 1.00 2.42 C ATOM 1003 NH1 ARG A 85 -5.358 17.110 10.533 1.00 2.45 N ATOM 1004 NH2 ARG A 85 -4.165 15.609 11.791 1.00 3.26 N ATOM 0 H ARG A 85 -1.485 17.472 5.250 1.00 0.77 H new ATOM 0 HA ARG A 85 -0.448 17.818 7.902 1.00 0.87 H new ATOM 0 HB2 ARG A 85 -2.071 15.610 6.594 1.00 0.96 H new ATOM 0 HB3 ARG A 85 -1.696 15.673 8.304 1.00 0.96 H new ATOM 0 HG2 ARG A 85 -3.145 17.933 6.901 1.00 1.23 H new ATOM 0 HG3 ARG A 85 -3.994 16.547 7.556 1.00 1.23 H new ATOM 0 HD2 ARG A 85 -2.124 18.347 9.145 1.00 1.45 H new ATOM 0 HD3 ARG A 85 -3.871 18.474 9.149 1.00 1.45 H new ATOM 0 HE ARG A 85 -2.270 16.235 10.310 1.00 2.09 H new ATOM 0 HH11 ARG A 85 -5.404 17.786 9.771 1.00 2.45 H new ATOM 0 HH12 ARG A 85 -6.193 16.902 11.081 1.00 2.45 H new ATOM 0 HH21 ARG A 85 -3.291 15.126 12.000 1.00 3.26 H new ATOM 0 HH22 ARG A 85 -5.003 15.405 12.335 1.00 3.26 H new ATOM 1018 N ARG A 86 0.921 15.680 5.863 1.00 0.71 N ATOM 1019 CA ARG A 86 2.107 14.859 5.640 1.00 0.80 C ATOM 1020 C ARG A 86 3.346 15.691 5.920 1.00 0.75 C ATOM 1021 O ARG A 86 4.234 15.287 6.668 1.00 0.78 O ATOM 1022 CB ARG A 86 2.162 14.343 4.199 1.00 0.96 C ATOM 1023 CG ARG A 86 1.035 13.397 3.831 1.00 1.18 C ATOM 1024 CD ARG A 86 1.151 12.070 4.567 1.00 1.04 C ATOM 1025 NE ARG A 86 2.444 11.418 4.346 1.00 1.92 N ATOM 1026 CZ ARG A 86 3.104 10.733 5.283 1.00 2.68 C ATOM 1027 NH1 ARG A 86 2.646 10.688 6.529 1.00 2.91 N ATOM 1028 NH2 ARG A 86 4.242 10.124 4.979 1.00 3.72 N ATOM 0 H ARG A 86 0.377 15.870 5.021 1.00 0.71 H new ATOM 0 HA ARG A 86 2.063 14.000 6.310 1.00 0.80 H new ATOM 0 HB2 ARG A 86 2.142 15.195 3.519 1.00 0.96 H new ATOM 0 HB3 ARG A 86 3.113 13.834 4.044 1.00 0.96 H new ATOM 0 HG2 ARG A 86 0.078 13.862 4.067 1.00 1.18 H new ATOM 0 HG3 ARG A 86 1.046 13.219 2.756 1.00 1.18 H new ATOM 0 HD2 ARG A 86 1.009 12.237 5.635 1.00 1.04 H new ATOM 0 HD3 ARG A 86 0.352 11.405 4.239 1.00 1.04 H new ATOM 0 HE ARG A 86 2.866 11.492 3.420 1.00 1.92 H new ATOM 0 HH11 ARG A 86 1.786 11.178 6.774 1.00 2.91 H new ATOM 0 HH12 ARG A 86 3.154 10.163 7.241 1.00 2.91 H new ATOM 0 HH21 ARG A 86 4.612 10.179 4.030 1.00 3.72 H new ATOM 0 HH22 ARG A 86 4.747 9.600 5.694 1.00 3.72 H new ATOM 1042 N MET A 87 3.374 16.868 5.313 1.00 0.77 N ATOM 1043 CA MET A 87 4.493 17.787 5.442 1.00 0.89 C ATOM 1044 C MET A 87 4.604 18.339 6.858 1.00 0.93 C ATOM 1045 O MET A 87 5.701 18.583 7.342 1.00 1.01 O ATOM 1046 CB MET A 87 4.346 18.935 4.444 1.00 1.11 C ATOM 1047 CG MET A 87 4.452 18.519 2.979 1.00 1.21 C ATOM 1048 SD MET A 87 6.108 17.964 2.503 1.00 1.69 S ATOM 1049 CE MET A 87 6.061 16.219 2.923 1.00 1.11 C ATOM 0 H MET A 87 2.621 17.212 4.717 1.00 0.77 H new ATOM 0 HA MET A 87 5.406 17.233 5.226 1.00 0.89 H new ATOM 0 HB2 MET A 87 3.381 19.416 4.603 1.00 1.11 H new ATOM 0 HB3 MET A 87 5.112 19.681 4.653 1.00 1.11 H new ATOM 0 HG2 MET A 87 3.739 17.718 2.785 1.00 1.21 H new ATOM 0 HG3 MET A 87 4.165 19.361 2.349 1.00 1.21 H new ATOM 0 HE1 MET A 87 6.854 15.695 2.390 1.00 1.11 H new ATOM 0 HE2 MET A 87 6.205 16.099 3.997 1.00 1.11 H new ATOM 0 HE3 MET A 87 5.095 15.802 2.637 1.00 1.11 H new ATOM 1059 N ALA A 88 3.471 18.548 7.520 1.00 0.97 N ATOM 1060 CA ALA A 88 3.471 19.044 8.894 1.00 1.13 C ATOM 1061 C ALA A 88 4.214 18.104 9.840 1.00 1.14 C ATOM 1062 O ALA A 88 4.774 18.539 10.845 1.00 1.29 O ATOM 1063 CB ALA A 88 2.046 19.246 9.375 1.00 1.32 C ATOM 0 H ALA A 88 2.543 18.383 7.130 1.00 0.97 H new ATOM 0 HA ALA A 88 3.996 19.999 8.899 1.00 1.13 H new ATOM 0 HB1 ALA A 88 2.057 19.616 10.400 1.00 1.32 H new ATOM 0 HB2 ALA A 88 1.545 19.970 8.733 1.00 1.32 H new ATOM 0 HB3 ALA A 88 1.511 18.297 9.337 1.00 1.32 H new ATOM 1069 N ALA A 89 4.223 16.822 9.511 1.00 1.05 N ATOM 1070 CA ALA A 89 4.883 15.832 10.350 1.00 1.18 C ATOM 1071 C ALA A 89 6.366 15.726 10.007 1.00 1.20 C ATOM 1072 O ALA A 89 7.175 15.292 10.826 1.00 1.45 O ATOM 1073 CB ALA A 89 4.205 14.477 10.202 1.00 1.25 C ATOM 0 H ALA A 89 3.783 16.443 8.673 1.00 1.05 H new ATOM 0 HA ALA A 89 4.798 16.155 11.388 1.00 1.18 H new ATOM 0 HB1 ALA A 89 4.709 13.747 10.835 1.00 1.25 H new ATOM 0 HB2 ALA A 89 3.160 14.558 10.503 1.00 1.25 H new ATOM 0 HB3 ALA A 89 4.259 14.155 9.162 1.00 1.25 H new ATOM 1079 N ALA A 90 6.716 16.139 8.802 1.00 1.01 N ATOM 1080 CA ALA A 90 8.086 16.038 8.324 1.00 1.10 C ATOM 1081 C ALA A 90 8.806 17.373 8.438 1.00 1.12 C ATOM 1082 O ALA A 90 8.241 18.419 8.134 1.00 1.00 O ATOM 1083 CB ALA A 90 8.095 15.557 6.881 1.00 1.05 C ATOM 0 H ALA A 90 6.067 16.550 8.132 1.00 1.01 H new ATOM 0 HA ALA A 90 8.615 15.317 8.947 1.00 1.10 H new ATOM 0 HB1 ALA A 90 9.124 15.483 6.528 1.00 1.05 H new ATOM 0 HB2 ALA A 90 7.620 14.578 6.821 1.00 1.05 H new ATOM 0 HB3 ALA A 90 7.548 16.265 6.258 1.00 1.05 H new ATOM 1089 N PRO A 91 10.061 17.362 8.905 1.00 1.40 N ATOM 1090 CA PRO A 91 10.897 18.561 8.933 1.00 1.57 C ATOM 1091 C PRO A 91 11.050 19.155 7.536 1.00 1.45 C ATOM 1092 O PRO A 91 11.553 18.488 6.630 1.00 1.42 O ATOM 1093 CB PRO A 91 12.244 18.051 9.457 1.00 1.91 C ATOM 1094 CG PRO A 91 11.914 16.799 10.195 1.00 1.96 C ATOM 1095 CD PRO A 91 10.757 16.190 9.459 1.00 1.67 C ATOM 0 HA PRO A 91 10.474 19.354 9.549 1.00 1.57 H new ATOM 0 HB2 PRO A 91 12.939 17.857 8.640 1.00 1.91 H new ATOM 0 HB3 PRO A 91 12.717 18.783 10.111 1.00 1.91 H new ATOM 0 HG2 PRO A 91 12.766 16.120 10.216 1.00 1.96 H new ATOM 0 HG3 PRO A 91 11.651 17.012 11.231 1.00 1.96 H new ATOM 0 HD2 PRO A 91 11.091 15.511 8.674 1.00 1.67 H new ATOM 0 HD3 PRO A 91 10.113 15.616 10.125 1.00 1.67 H new ATOM 1103 N PRO A 92 10.588 20.408 7.350 1.00 1.56 N ATOM 1104 CA PRO A 92 10.597 21.099 6.053 1.00 1.67 C ATOM 1105 C PRO A 92 11.882 20.880 5.270 1.00 1.87 C ATOM 1106 O PRO A 92 12.976 21.241 5.716 1.00 2.74 O ATOM 1107 CB PRO A 92 10.439 22.557 6.453 1.00 1.98 C ATOM 1108 CG PRO A 92 9.575 22.493 7.659 1.00 2.05 C ATOM 1109 CD PRO A 92 10.013 21.263 8.408 1.00 1.77 C ATOM 0 HA PRO A 92 9.818 20.733 5.384 1.00 1.67 H new ATOM 0 HB2 PRO A 92 11.401 23.020 6.673 1.00 1.98 H new ATOM 0 HB3 PRO A 92 9.977 23.143 5.659 1.00 1.98 H new ATOM 0 HG2 PRO A 92 9.691 23.387 8.272 1.00 2.05 H new ATOM 0 HG3 PRO A 92 8.522 22.430 7.384 1.00 2.05 H new ATOM 0 HD2 PRO A 92 10.748 21.501 9.177 1.00 1.77 H new ATOM 0 HD3 PRO A 92 9.175 20.776 8.907 1.00 1.77 H new ATOM 1117 N GLY A 93 11.733 20.279 4.104 1.00 1.48 N ATOM 1118 CA GLY A 93 12.873 19.877 3.314 1.00 1.64 C ATOM 1119 C GLY A 93 12.734 18.438 2.869 1.00 1.50 C ATOM 1120 O GLY A 93 13.356 18.011 1.893 1.00 1.68 O ATOM 0 H GLY A 93 10.829 20.060 3.685 1.00 1.48 H new ATOM 0 HA2 GLY A 93 12.965 20.525 2.442 1.00 1.64 H new ATOM 0 HA3 GLY A 93 13.786 19.996 3.897 1.00 1.64 H new ATOM 1124 N CYS A 94 11.911 17.692 3.598 1.00 1.28 N ATOM 1125 CA CYS A 94 11.621 16.306 3.250 1.00 1.27 C ATOM 1126 C CYS A 94 10.744 16.239 2.003 1.00 1.14 C ATOM 1127 O CYS A 94 9.753 16.962 1.893 1.00 1.17 O ATOM 1128 CB CYS A 94 10.928 15.596 4.415 1.00 1.33 C ATOM 1129 SG CYS A 94 11.942 15.453 5.907 1.00 2.34 S ATOM 0 H CYS A 94 11.432 18.025 4.435 1.00 1.28 H new ATOM 0 HA CYS A 94 12.565 15.802 3.042 1.00 1.27 H new ATOM 0 HB2 CYS A 94 10.013 16.135 4.662 1.00 1.33 H new ATOM 0 HB3 CYS A 94 10.633 14.597 4.093 1.00 1.33 H new ATOM 0 HG CYS A 94 12.023 16.612 6.490 1.00 2.34 H new ATOM 1135 N THR A 95 11.129 15.382 1.064 1.00 1.27 N ATOM 1136 CA THR A 95 10.396 15.211 -0.182 1.00 1.33 C ATOM 1137 C THR A 95 8.996 14.644 0.064 1.00 0.96 C ATOM 1138 O THR A 95 8.839 13.619 0.732 1.00 0.86 O ATOM 1139 CB THR A 95 11.164 14.281 -1.145 1.00 1.73 C ATOM 1140 OG1 THR A 95 12.461 14.829 -1.416 1.00 1.72 O ATOM 1141 CG2 THR A 95 10.411 14.095 -2.455 1.00 2.23 C ATOM 0 H THR A 95 11.955 14.789 1.146 1.00 1.27 H new ATOM 0 HA THR A 95 10.296 16.197 -0.635 1.00 1.33 H new ATOM 0 HB THR A 95 11.263 13.308 -0.665 1.00 1.73 H new ATOM 0 HG1 THR A 95 12.946 14.235 -2.026 1.00 1.72 H new ATOM 0 HG21 THR A 95 10.979 13.435 -3.111 1.00 2.23 H new ATOM 0 HG22 THR A 95 9.434 13.654 -2.254 1.00 2.23 H new ATOM 0 HG23 THR A 95 10.280 15.062 -2.940 1.00 2.23 H new ATOM 1149 N PRO A 96 7.965 15.333 -0.457 1.00 0.93 N ATOM 1150 CA PRO A 96 6.573 14.875 -0.384 1.00 0.76 C ATOM 1151 C PRO A 96 6.362 13.553 -1.117 1.00 0.61 C ATOM 1152 O PRO A 96 6.974 13.305 -2.158 1.00 0.71 O ATOM 1153 CB PRO A 96 5.784 15.994 -1.077 1.00 1.07 C ATOM 1154 CG PRO A 96 6.688 17.178 -1.069 1.00 1.30 C ATOM 1155 CD PRO A 96 8.081 16.629 -1.145 1.00 1.27 C ATOM 0 HA PRO A 96 6.262 14.691 0.645 1.00 0.76 H new ATOM 0 HB2 PRO A 96 5.514 15.712 -2.095 1.00 1.07 H new ATOM 0 HB3 PRO A 96 4.855 16.205 -0.548 1.00 1.07 H new ATOM 0 HG2 PRO A 96 6.480 17.835 -1.914 1.00 1.30 H new ATOM 0 HG3 PRO A 96 6.550 17.769 -0.164 1.00 1.30 H new ATOM 0 HD2 PRO A 96 8.412 16.510 -2.177 1.00 1.27 H new ATOM 0 HD3 PRO A 96 8.800 17.284 -0.653 1.00 1.27 H new ATOM 1163 N PRO A 97 5.491 12.685 -0.571 1.00 0.50 N ATOM 1164 CA PRO A 97 5.187 11.379 -1.164 1.00 0.46 C ATOM 1165 C PRO A 97 4.387 11.489 -2.458 1.00 0.45 C ATOM 1166 O PRO A 97 4.142 12.582 -2.971 1.00 0.68 O ATOM 1167 CB PRO A 97 4.343 10.685 -0.092 1.00 0.59 C ATOM 1168 CG PRO A 97 3.741 11.795 0.698 1.00 0.69 C ATOM 1169 CD PRO A 97 4.743 12.914 0.677 1.00 0.64 C ATOM 0 HA PRO A 97 6.098 10.845 -1.433 1.00 0.46 H new ATOM 0 HB2 PRO A 97 3.574 10.056 -0.540 1.00 0.59 H new ATOM 0 HB3 PRO A 97 4.956 10.039 0.537 1.00 0.59 H new ATOM 0 HG2 PRO A 97 2.793 12.113 0.264 1.00 0.69 H new ATOM 0 HG3 PRO A 97 3.533 11.478 1.720 1.00 0.69 H new ATOM 0 HD2 PRO A 97 4.256 13.889 0.679 1.00 0.64 H new ATOM 0 HD3 PRO A 97 5.397 12.883 1.548 1.00 0.64 H new ATOM 1177 N ALA A 98 3.947 10.343 -2.953 1.00 0.44 N ATOM 1178 CA ALA A 98 3.167 10.296 -4.172 1.00 0.44 C ATOM 1179 C ALA A 98 1.698 10.441 -3.834 1.00 0.38 C ATOM 1180 O ALA A 98 1.061 9.481 -3.406 1.00 0.39 O ATOM 1181 CB ALA A 98 3.407 8.998 -4.925 1.00 0.54 C ATOM 0 H ALA A 98 4.119 9.433 -2.526 1.00 0.44 H new ATOM 0 HA ALA A 98 3.477 11.118 -4.817 1.00 0.44 H new ATOM 0 HB1 ALA A 98 2.809 8.990 -5.836 1.00 0.54 H new ATOM 0 HB2 ALA A 98 4.463 8.917 -5.184 1.00 0.54 H new ATOM 0 HB3 ALA A 98 3.122 8.155 -4.296 1.00 0.54 H new ATOM 1187 N LEU A 99 1.188 11.647 -3.975 1.00 0.45 N ATOM 1188 CA LEU A 99 -0.218 11.930 -3.737 1.00 0.44 C ATOM 1189 C LEU A 99 -1.040 11.333 -4.873 1.00 0.44 C ATOM 1190 O LEU A 99 -0.566 11.290 -6.007 1.00 0.61 O ATOM 1191 CB LEU A 99 -0.423 13.438 -3.627 1.00 0.52 C ATOM 1192 CG LEU A 99 -1.631 13.881 -2.808 1.00 0.41 C ATOM 1193 CD1 LEU A 99 -1.583 13.276 -1.413 1.00 0.46 C ATOM 1194 CD2 LEU A 99 -1.667 15.392 -2.731 1.00 0.46 C ATOM 0 H LEU A 99 1.734 12.461 -4.258 1.00 0.45 H new ATOM 0 HA LEU A 99 -0.546 11.480 -2.800 1.00 0.44 H new ATOM 0 HB2 LEU A 99 0.472 13.877 -3.187 1.00 0.52 H new ATOM 0 HB3 LEU A 99 -0.518 13.848 -4.632 1.00 0.52 H new ATOM 0 HG LEU A 99 -2.539 13.529 -3.297 1.00 0.41 H new ATOM 0 HD11 LEU A 99 -2.453 13.604 -0.844 1.00 0.46 H new ATOM 0 HD12 LEU A 99 -1.587 12.189 -1.488 1.00 0.46 H new ATOM 0 HD13 LEU A 99 -0.675 13.602 -0.906 1.00 0.46 H new ATOM 0 HD21 LEU A 99 -2.531 15.706 -2.145 1.00 0.46 H new ATOM 0 HD22 LEU A 99 -0.755 15.754 -2.256 1.00 0.46 H new ATOM 0 HD23 LEU A 99 -1.741 15.806 -3.737 1.00 0.46 H new ATOM 1206 N LEU A 100 -2.285 10.929 -4.605 1.00 0.44 N ATOM 1207 CA LEU A 100 -2.981 10.013 -5.515 1.00 0.39 C ATOM 1208 C LEU A 100 -4.437 9.858 -5.093 1.00 0.44 C ATOM 1209 O LEU A 100 -4.952 10.600 -4.257 1.00 0.66 O ATOM 1210 CB LEU A 100 -2.395 8.593 -5.540 1.00 0.53 C ATOM 1211 CG LEU A 100 -0.880 8.420 -5.565 1.00 0.54 C ATOM 1212 CD1 LEU A 100 -0.516 7.103 -4.908 1.00 0.79 C ATOM 1213 CD2 LEU A 100 -0.357 8.450 -6.991 1.00 0.98 C ATOM 0 H LEU A 100 -2.822 11.213 -3.786 1.00 0.44 H new ATOM 0 HA LEU A 100 -2.869 10.463 -6.502 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -2.772 8.066 -4.664 1.00 0.53 H new ATOM 0 HB3 LEU A 100 -2.799 8.085 -6.416 1.00 0.53 H new ATOM 0 HG LEU A 100 -0.422 9.244 -5.017 1.00 0.54 H new ATOM 0 HD11 LEU A 100 0.566 6.975 -4.924 1.00 0.79 H new ATOM 0 HD12 LEU A 100 -0.866 7.102 -3.876 1.00 0.79 H new ATOM 0 HD13 LEU A 100 -0.986 6.283 -5.451 1.00 0.79 H new ATOM 0 HD21 LEU A 100 0.726 8.325 -6.984 1.00 0.98 H new ATOM 0 HD22 LEU A 100 -0.812 7.641 -7.563 1.00 0.98 H new ATOM 0 HD23 LEU A 100 -0.609 9.406 -7.451 1.00 0.98 H new ATOM 1225 N ASP A 101 -5.067 8.858 -5.691 1.00 0.41 N ATOM 1226 CA ASP A 101 -6.372 8.360 -5.288 1.00 0.44 C ATOM 1227 C ASP A 101 -6.159 6.895 -4.898 1.00 0.40 C ATOM 1228 O ASP A 101 -5.015 6.491 -4.739 1.00 0.47 O ATOM 1229 CB ASP A 101 -7.426 8.537 -6.393 1.00 0.52 C ATOM 1230 CG ASP A 101 -7.417 7.443 -7.435 1.00 1.03 C ATOM 1231 OD1 ASP A 101 -6.680 7.554 -8.430 1.00 1.92 O ATOM 1232 OD2 ASP A 101 -8.178 6.471 -7.268 1.00 1.25 O ATOM 0 H ASP A 101 -4.675 8.359 -6.489 1.00 0.41 H new ATOM 0 HA ASP A 101 -6.771 8.927 -4.447 1.00 0.44 H new ATOM 0 HB2 ASP A 101 -8.414 8.579 -5.934 1.00 0.52 H new ATOM 0 HB3 ASP A 101 -7.262 9.495 -6.886 1.00 0.52 H new ATOM 1237 N ILE A 102 -7.196 6.078 -4.767 1.00 0.46 N ATOM 1238 CA ILE A 102 -7.002 4.769 -4.135 1.00 0.42 C ATOM 1239 C ILE A 102 -6.897 3.694 -5.225 1.00 0.46 C ATOM 1240 O ILE A 102 -6.500 2.551 -4.976 1.00 0.77 O ATOM 1241 CB ILE A 102 -8.140 4.437 -3.129 1.00 0.41 C ATOM 1242 CG1 ILE A 102 -8.045 2.993 -2.620 1.00 0.42 C ATOM 1243 CG2 ILE A 102 -9.500 4.678 -3.760 1.00 0.45 C ATOM 1244 CD1 ILE A 102 -6.772 2.674 -1.869 1.00 0.44 C ATOM 0 H ILE A 102 -8.147 6.281 -5.075 1.00 0.46 H new ATOM 0 HA ILE A 102 -6.076 4.794 -3.560 1.00 0.42 H new ATOM 0 HB ILE A 102 -8.021 5.103 -2.274 1.00 0.41 H new ATOM 0 HG12 ILE A 102 -8.896 2.795 -1.968 1.00 0.42 H new ATOM 0 HG13 ILE A 102 -8.130 2.316 -3.470 1.00 0.42 H new ATOM 0 HG21 ILE A 102 -10.283 4.440 -3.040 1.00 0.45 H new ATOM 0 HG22 ILE A 102 -9.584 5.724 -4.055 1.00 0.45 H new ATOM 0 HG23 ILE A 102 -9.611 4.043 -4.639 1.00 0.45 H new ATOM 0 HD11 ILE A 102 -6.791 1.633 -1.547 1.00 0.44 H new ATOM 0 HD12 ILE A 102 -5.914 2.836 -2.522 1.00 0.44 H new ATOM 0 HD13 ILE A 102 -6.692 3.323 -0.997 1.00 0.44 H new ATOM 1256 N SER A 103 -7.177 4.101 -6.456 1.00 0.42 N ATOM 1257 CA SER A 103 -7.310 3.161 -7.565 1.00 0.51 C ATOM 1258 C SER A 103 -5.967 2.568 -7.979 1.00 0.48 C ATOM 1259 O SER A 103 -5.924 1.456 -8.504 1.00 0.58 O ATOM 1260 CB SER A 103 -7.983 3.825 -8.768 1.00 0.66 C ATOM 1261 OG SER A 103 -7.232 4.934 -9.225 1.00 1.46 O ATOM 0 H SER A 103 -7.317 5.078 -6.714 1.00 0.42 H new ATOM 0 HA SER A 103 -7.940 2.345 -7.212 1.00 0.51 H new ATOM 0 HB2 SER A 103 -8.092 3.099 -9.574 1.00 0.66 H new ATOM 0 HB3 SER A 103 -8.987 4.150 -8.493 1.00 0.66 H new ATOM 0 HG SER A 103 -7.840 5.661 -9.474 1.00 1.46 H new ATOM 1267 N TRP A 104 -4.874 3.299 -7.752 1.00 0.38 N ATOM 1268 CA TRP A 104 -3.546 2.783 -8.076 1.00 0.36 C ATOM 1269 C TRP A 104 -3.315 1.430 -7.412 1.00 0.34 C ATOM 1270 O TRP A 104 -2.838 0.480 -8.041 1.00 0.35 O ATOM 1271 CB TRP A 104 -2.436 3.756 -7.642 1.00 0.34 C ATOM 1272 CG TRP A 104 -1.084 3.099 -7.633 1.00 0.32 C ATOM 1273 CD1 TRP A 104 -0.244 2.928 -8.695 1.00 0.34 C ATOM 1274 CD2 TRP A 104 -0.438 2.488 -6.508 1.00 0.31 C ATOM 1275 NE1 TRP A 104 0.880 2.241 -8.298 1.00 0.34 N ATOM 1276 CE2 TRP A 104 0.784 1.963 -6.961 1.00 0.32 C ATOM 1277 CE3 TRP A 104 -0.781 2.332 -5.162 1.00 0.30 C ATOM 1278 CZ2 TRP A 104 1.664 1.291 -6.115 1.00 0.33 C ATOM 1279 CZ3 TRP A 104 0.088 1.668 -4.323 1.00 0.31 C ATOM 1280 CH2 TRP A 104 1.298 1.153 -4.802 1.00 0.32 C ATOM 0 H TRP A 104 -4.882 4.237 -7.351 1.00 0.38 H new ATOM 0 HA TRP A 104 -3.505 2.670 -9.159 1.00 0.36 H new ATOM 0 HB2 TRP A 104 -2.419 4.611 -8.317 1.00 0.34 H new ATOM 0 HB3 TRP A 104 -2.659 4.140 -6.647 1.00 0.34 H new ATOM 0 HD1 TRP A 104 -0.434 3.280 -9.698 1.00 0.34 H new ATOM 0 HE1 TRP A 104 1.659 1.981 -8.902 1.00 0.34 H new ATOM 0 HE3 TRP A 104 -1.713 2.726 -4.785 1.00 0.30 H new ATOM 0 HZ2 TRP A 104 2.599 0.894 -6.481 1.00 0.33 H new ATOM 0 HZ3 TRP A 104 -0.168 1.543 -3.281 1.00 0.31 H new ATOM 0 HH2 TRP A 104 1.958 0.635 -4.122 1.00 0.32 H new ATOM 1291 N LEU A 105 -3.657 1.347 -6.135 1.00 0.34 N ATOM 1292 CA LEU A 105 -3.381 0.153 -5.362 1.00 0.32 C ATOM 1293 C LEU A 105 -4.281 -0.983 -5.805 1.00 0.31 C ATOM 1294 O LEU A 105 -3.820 -2.099 -6.014 1.00 0.34 O ATOM 1295 CB LEU A 105 -3.553 0.429 -3.870 1.00 0.33 C ATOM 1296 CG LEU A 105 -3.103 -0.703 -2.950 1.00 0.32 C ATOM 1297 CD1 LEU A 105 -1.683 -1.137 -3.293 1.00 0.34 C ATOM 1298 CD2 LEU A 105 -3.185 -0.258 -1.502 1.00 0.35 C ATOM 0 H LEU A 105 -4.124 2.091 -5.617 1.00 0.34 H new ATOM 0 HA LEU A 105 -2.346 -0.141 -5.536 1.00 0.32 H new ATOM 0 HB2 LEU A 105 -2.993 1.329 -3.615 1.00 0.33 H new ATOM 0 HB3 LEU A 105 -4.604 0.641 -3.674 1.00 0.33 H new ATOM 0 HG LEU A 105 -3.766 -1.556 -3.094 1.00 0.32 H new ATOM 0 HD11 LEU A 105 -1.379 -1.945 -2.627 1.00 0.34 H new ATOM 0 HD12 LEU A 105 -1.648 -1.485 -4.325 1.00 0.34 H new ATOM 0 HD13 LEU A 105 -1.005 -0.292 -3.172 1.00 0.34 H new ATOM 0 HD21 LEU A 105 -2.862 -1.072 -0.852 1.00 0.35 H new ATOM 0 HD22 LEU A 105 -2.538 0.606 -1.350 1.00 0.35 H new ATOM 0 HD23 LEU A 105 -4.213 0.012 -1.262 1.00 0.35 H new ATOM 1310 N THR A 106 -5.565 -0.695 -5.933 1.00 0.35 N ATOM 1311 CA THR A 106 -6.516 -1.670 -6.439 1.00 0.37 C ATOM 1312 C THR A 106 -6.137 -2.171 -7.842 1.00 0.36 C ATOM 1313 O THR A 106 -6.366 -3.340 -8.164 1.00 0.47 O ATOM 1314 CB THR A 106 -7.946 -1.101 -6.417 1.00 0.47 C ATOM 1315 OG1 THR A 106 -7.937 0.262 -6.847 1.00 0.50 O ATOM 1316 CG2 THR A 106 -8.527 -1.176 -5.014 1.00 0.59 C ATOM 0 H THR A 106 -5.974 0.208 -5.693 1.00 0.35 H new ATOM 0 HA THR A 106 -6.482 -2.533 -5.775 1.00 0.37 H new ATOM 0 HB THR A 106 -8.561 -1.695 -7.093 1.00 0.47 H new ATOM 0 HG1 THR A 106 -7.241 0.386 -7.525 1.00 0.50 H new ATOM 0 HG21 THR A 106 -9.538 -0.770 -5.017 1.00 0.59 H new ATOM 0 HG22 THR A 106 -8.555 -2.215 -4.687 1.00 0.59 H new ATOM 0 HG23 THR A 106 -7.905 -0.597 -4.331 1.00 0.59 H new ATOM 1324 N GLU A 107 -5.541 -1.303 -8.670 1.00 0.38 N ATOM 1325 CA GLU A 107 -4.995 -1.743 -9.956 1.00 0.39 C ATOM 1326 C GLU A 107 -3.837 -2.707 -9.731 1.00 0.33 C ATOM 1327 O GLU A 107 -3.757 -3.764 -10.360 1.00 0.43 O ATOM 1328 CB GLU A 107 -4.495 -0.572 -10.811 1.00 0.46 C ATOM 1329 CG GLU A 107 -5.588 0.326 -11.363 1.00 0.53 C ATOM 1330 CD GLU A 107 -5.089 1.210 -12.494 1.00 0.83 C ATOM 1331 OE1 GLU A 107 -4.148 1.999 -12.261 1.00 1.51 O ATOM 1332 OE2 GLU A 107 -5.642 1.138 -13.615 1.00 0.95 O ATOM 0 H GLU A 107 -5.427 -0.308 -8.475 1.00 0.38 H new ATOM 0 HA GLU A 107 -5.808 -2.235 -10.490 1.00 0.39 H new ATOM 0 HB2 GLU A 107 -3.815 0.033 -10.211 1.00 0.46 H new ATOM 0 HB3 GLU A 107 -3.916 -0.970 -11.644 1.00 0.46 H new ATOM 0 HG2 GLU A 107 -6.414 -0.288 -11.722 1.00 0.53 H new ATOM 0 HG3 GLU A 107 -5.981 0.952 -10.562 1.00 0.53 H new ATOM 1339 N SER A 108 -2.944 -2.336 -8.820 1.00 0.35 N ATOM 1340 CA SER A 108 -1.785 -3.154 -8.512 1.00 0.36 C ATOM 1341 C SER A 108 -2.223 -4.512 -7.956 1.00 0.38 C ATOM 1342 O SER A 108 -1.716 -5.551 -8.380 1.00 0.46 O ATOM 1343 CB SER A 108 -0.859 -2.415 -7.535 1.00 0.45 C ATOM 1344 OG SER A 108 -0.462 -1.160 -8.069 1.00 0.88 O ATOM 0 H SER A 108 -3.004 -1.471 -8.283 1.00 0.35 H new ATOM 0 HA SER A 108 -1.224 -3.338 -9.429 1.00 0.36 H new ATOM 0 HB2 SER A 108 -1.371 -2.265 -6.584 1.00 0.45 H new ATOM 0 HB3 SER A 108 0.022 -3.024 -7.331 1.00 0.45 H new ATOM 0 HG SER A 108 -1.232 -0.554 -8.088 1.00 0.88 H new ATOM 1350 N LEU A 109 -3.172 -4.497 -7.015 1.00 0.36 N ATOM 1351 CA LEU A 109 -3.785 -5.724 -6.496 1.00 0.43 C ATOM 1352 C LEU A 109 -4.361 -6.596 -7.608 1.00 0.52 C ATOM 1353 O LEU A 109 -4.437 -7.818 -7.472 1.00 0.75 O ATOM 1354 CB LEU A 109 -4.899 -5.389 -5.506 1.00 0.40 C ATOM 1355 CG LEU A 109 -4.471 -4.577 -4.286 1.00 0.47 C ATOM 1356 CD1 LEU A 109 -5.518 -4.679 -3.203 1.00 0.71 C ATOM 1357 CD2 LEU A 109 -3.133 -5.054 -3.765 1.00 0.86 C ATOM 0 H LEU A 109 -3.535 -3.642 -6.594 1.00 0.36 H new ATOM 0 HA LEU A 109 -2.993 -6.281 -5.996 1.00 0.43 H new ATOM 0 HB2 LEU A 109 -5.677 -4.837 -6.034 1.00 0.40 H new ATOM 0 HB3 LEU A 109 -5.348 -6.321 -5.162 1.00 0.40 H new ATOM 0 HG LEU A 109 -4.369 -3.534 -4.585 1.00 0.47 H new ATOM 0 HD11 LEU A 109 -5.204 -4.097 -2.337 1.00 0.71 H new ATOM 0 HD12 LEU A 109 -6.466 -4.292 -3.576 1.00 0.71 H new ATOM 0 HD13 LEU A 109 -5.641 -5.722 -2.913 1.00 0.71 H new ATOM 0 HD21 LEU A 109 -2.849 -4.461 -2.896 1.00 0.86 H new ATOM 0 HD22 LEU A 109 -3.207 -6.103 -3.480 1.00 0.86 H new ATOM 0 HD23 LEU A 109 -2.378 -4.942 -4.544 1.00 0.86 H new ATOM 1369 N GLY A 110 -4.748 -5.968 -8.709 1.00 0.48 N ATOM 1370 CA GLY A 110 -5.357 -6.696 -9.800 1.00 0.62 C ATOM 1371 C GLY A 110 -4.325 -7.437 -10.623 1.00 0.67 C ATOM 1372 O GLY A 110 -4.541 -8.577 -11.028 1.00 0.96 O ATOM 0 H GLY A 110 -4.650 -4.965 -8.865 1.00 0.48 H new ATOM 0 HA2 GLY A 110 -6.084 -7.405 -9.404 1.00 0.62 H new ATOM 0 HA3 GLY A 110 -5.904 -6.003 -10.440 1.00 0.62 H new ATOM 1376 N ALA A 111 -3.184 -6.794 -10.835 1.00 0.47 N ATOM 1377 CA ALA A 111 -2.121 -7.370 -11.648 1.00 0.53 C ATOM 1378 C ALA A 111 -1.200 -8.261 -10.816 1.00 0.59 C ATOM 1379 O ALA A 111 -0.618 -9.217 -11.324 1.00 0.71 O ATOM 1380 CB ALA A 111 -1.316 -6.267 -12.319 1.00 0.48 C ATOM 0 H ALA A 111 -2.971 -5.872 -10.455 1.00 0.47 H new ATOM 0 HA ALA A 111 -2.586 -7.991 -12.413 1.00 0.53 H new ATOM 0 HB1 ALA A 111 -0.525 -6.710 -12.924 1.00 0.48 H new ATOM 0 HB2 ALA A 111 -1.972 -5.675 -12.957 1.00 0.48 H new ATOM 0 HB3 ALA A 111 -0.874 -5.625 -11.558 1.00 0.48 H new ATOM 1386 N GLY A 112 -1.072 -7.937 -9.538 1.00 0.53 N ATOM 1387 CA GLY A 112 -0.205 -8.706 -8.666 1.00 0.60 C ATOM 1388 C GLY A 112 1.163 -8.069 -8.533 1.00 0.58 C ATOM 1389 O GLY A 112 2.104 -8.688 -8.034 1.00 0.66 O ATOM 0 H GLY A 112 -1.552 -7.157 -9.089 1.00 0.53 H new ATOM 0 HA2 GLY A 112 -0.664 -8.792 -7.681 1.00 0.60 H new ATOM 0 HA3 GLY A 112 -0.099 -9.717 -9.058 1.00 0.60 H new ATOM 1393 N GLN A 113 1.265 -6.827 -8.983 1.00 0.52 N ATOM 1394 CA GLN A 113 2.512 -6.078 -8.938 1.00 0.54 C ATOM 1395 C GLN A 113 2.195 -4.588 -8.985 1.00 0.50 C ATOM 1396 O GLN A 113 1.145 -4.201 -9.502 1.00 0.48 O ATOM 1397 CB GLN A 113 3.414 -6.461 -10.118 1.00 0.60 C ATOM 1398 CG GLN A 113 2.836 -6.096 -11.477 1.00 0.61 C ATOM 1399 CD GLN A 113 3.802 -6.373 -12.610 1.00 0.81 C ATOM 1400 OE1 GLN A 113 3.813 -7.462 -13.181 1.00 1.45 O ATOM 1401 NE2 GLN A 113 4.620 -5.387 -12.948 1.00 0.87 N ATOM 0 H GLN A 113 0.485 -6.310 -9.390 1.00 0.52 H new ATOM 0 HA GLN A 113 3.041 -6.315 -8.015 1.00 0.54 H new ATOM 0 HB2 GLN A 113 4.379 -5.969 -10.000 1.00 0.60 H new ATOM 0 HB3 GLN A 113 3.598 -7.535 -10.089 1.00 0.60 H new ATOM 0 HG2 GLN A 113 1.917 -6.659 -11.641 1.00 0.61 H new ATOM 0 HG3 GLN A 113 2.568 -5.040 -11.482 1.00 0.61 H new ATOM 0 HE21 GLN A 113 4.580 -4.498 -12.450 1.00 0.87 H new ATOM 0 HE22 GLN A 113 5.290 -5.517 -13.706 1.00 0.87 H new ATOM 1410 N PRO A 114 3.073 -3.735 -8.428 1.00 0.53 N ATOM 1411 CA PRO A 114 2.857 -2.287 -8.427 1.00 0.52 C ATOM 1412 C PRO A 114 2.869 -1.721 -9.839 1.00 0.54 C ATOM 1413 O PRO A 114 3.916 -1.653 -10.488 1.00 0.62 O ATOM 1414 CB PRO A 114 4.022 -1.728 -7.604 1.00 0.57 C ATOM 1415 CG PRO A 114 5.059 -2.799 -7.602 1.00 0.68 C ATOM 1416 CD PRO A 114 4.331 -4.109 -7.755 1.00 0.60 C ATOM 0 HA PRO A 114 1.885 -2.020 -8.012 1.00 0.52 H new ATOM 0 HB2 PRO A 114 4.408 -0.809 -8.045 1.00 0.57 H new ATOM 0 HB3 PRO A 114 3.705 -1.487 -6.589 1.00 0.57 H new ATOM 0 HG2 PRO A 114 5.767 -2.653 -8.417 1.00 0.68 H new ATOM 0 HG3 PRO A 114 5.632 -2.781 -6.675 1.00 0.68 H new ATOM 0 HD2 PRO A 114 4.906 -4.820 -8.348 1.00 0.60 H new ATOM 0 HD3 PRO A 114 4.144 -4.578 -6.789 1.00 0.60 H new ATOM 1424 N VAL A 115 1.696 -1.332 -10.308 1.00 0.51 N ATOM 1425 CA VAL A 115 1.542 -0.820 -11.660 1.00 0.53 C ATOM 1426 C VAL A 115 2.121 0.585 -11.784 1.00 0.49 C ATOM 1427 O VAL A 115 2.198 1.327 -10.797 1.00 0.45 O ATOM 1428 CB VAL A 115 0.058 -0.800 -12.090 1.00 0.54 C ATOM 1429 CG1 VAL A 115 -0.504 -2.211 -12.134 1.00 0.65 C ATOM 1430 CG2 VAL A 115 -0.768 0.078 -11.161 1.00 0.47 C ATOM 0 H VAL A 115 0.831 -1.361 -9.769 1.00 0.51 H new ATOM 0 HA VAL A 115 2.091 -1.493 -12.319 1.00 0.53 H new ATOM 0 HB VAL A 115 0.002 -0.375 -13.092 1.00 0.54 H new ATOM 0 HG11 VAL A 115 -1.550 -2.177 -12.439 1.00 0.65 H new ATOM 0 HG12 VAL A 115 0.063 -2.806 -12.850 1.00 0.65 H new ATOM 0 HG13 VAL A 115 -0.429 -2.664 -11.145 1.00 0.65 H new ATOM 0 HG21 VAL A 115 -1.808 0.074 -11.486 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.705 -0.308 -10.144 1.00 0.47 H new ATOM 0 HG23 VAL A 115 -0.383 1.098 -11.187 1.00 0.47 H new ATOM 1440 N PRO A 116 2.555 0.959 -13.001 1.00 0.56 N ATOM 1441 CA PRO A 116 3.071 2.300 -13.279 1.00 0.58 C ATOM 1442 C PRO A 116 2.032 3.367 -12.967 1.00 0.48 C ATOM 1443 O PRO A 116 0.983 3.432 -13.610 1.00 0.55 O ATOM 1444 CB PRO A 116 3.382 2.275 -14.779 1.00 0.72 C ATOM 1445 CG PRO A 116 3.512 0.833 -15.122 1.00 0.85 C ATOM 1446 CD PRO A 116 2.577 0.104 -14.199 1.00 0.69 C ATOM 0 HA PRO A 116 3.941 2.542 -12.669 1.00 0.58 H new ATOM 0 HB2 PRO A 116 2.586 2.747 -15.355 1.00 0.72 H new ATOM 0 HB3 PRO A 116 4.301 2.818 -15.001 1.00 0.72 H new ATOM 0 HG2 PRO A 116 3.249 0.654 -16.165 1.00 0.85 H new ATOM 0 HG3 PRO A 116 4.538 0.491 -14.989 1.00 0.85 H new ATOM 0 HD2 PRO A 116 1.584 -0.005 -14.635 1.00 0.69 H new ATOM 0 HD3 PRO A 116 2.937 -0.899 -13.971 1.00 0.69 H new ATOM 1454 N VAL A 117 2.320 4.183 -11.967 1.00 0.46 N ATOM 1455 CA VAL A 117 1.380 5.198 -11.527 1.00 0.44 C ATOM 1456 C VAL A 117 1.194 6.289 -12.580 1.00 0.49 C ATOM 1457 O VAL A 117 2.101 7.072 -12.865 1.00 0.61 O ATOM 1458 CB VAL A 117 1.792 5.821 -10.171 1.00 0.58 C ATOM 1459 CG1 VAL A 117 3.230 6.323 -10.203 1.00 0.99 C ATOM 1460 CG2 VAL A 117 0.838 6.946 -9.792 1.00 1.25 C ATOM 0 H VAL A 117 3.196 4.162 -11.446 1.00 0.46 H new ATOM 0 HA VAL A 117 0.424 4.694 -11.386 1.00 0.44 H new ATOM 0 HB VAL A 117 1.732 5.041 -9.412 1.00 0.58 H new ATOM 0 HG11 VAL A 117 3.486 6.754 -9.235 1.00 0.99 H new ATOM 0 HG12 VAL A 117 3.901 5.492 -10.419 1.00 0.99 H new ATOM 0 HG13 VAL A 117 3.333 7.083 -10.978 1.00 0.99 H new ATOM 0 HG21 VAL A 117 1.141 7.374 -8.836 1.00 1.25 H new ATOM 0 HG22 VAL A 117 0.864 7.719 -10.560 1.00 1.25 H new ATOM 0 HG23 VAL A 117 -0.175 6.552 -9.708 1.00 1.25 H new ATOM 1470 N GLU A 118 0.010 6.304 -13.174 1.00 0.57 N ATOM 1471 CA GLU A 118 -0.376 7.355 -14.097 1.00 0.70 C ATOM 1472 C GLU A 118 -0.614 8.649 -13.343 1.00 0.71 C ATOM 1473 O GLU A 118 -1.163 8.639 -12.238 1.00 0.66 O ATOM 1474 CB GLU A 118 -1.657 6.960 -14.835 1.00 0.84 C ATOM 1475 CG GLU A 118 -1.430 5.986 -15.976 1.00 1.34 C ATOM 1476 CD GLU A 118 -0.695 6.624 -17.134 1.00 1.95 C ATOM 1477 OE1 GLU A 118 -1.352 7.271 -17.980 1.00 2.63 O ATOM 1478 OE2 GLU A 118 0.542 6.484 -17.208 1.00 2.31 O ATOM 0 H GLU A 118 -0.705 5.591 -13.029 1.00 0.57 H new ATOM 0 HA GLU A 118 0.430 7.498 -14.817 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -2.353 6.516 -14.123 1.00 0.84 H new ATOM 0 HB3 GLU A 118 -2.132 7.860 -15.226 1.00 0.84 H new ATOM 0 HG2 GLU A 118 -0.860 5.131 -15.613 1.00 1.34 H new ATOM 0 HG3 GLU A 118 -2.391 5.605 -16.323 1.00 1.34 H new ATOM 1485 N CYS A 119 -0.206 9.755 -13.951 1.00 0.84 N ATOM 1486 CA CYS A 119 -0.471 11.087 -13.413 1.00 0.88 C ATOM 1487 C CYS A 119 -1.977 11.298 -13.252 1.00 0.79 C ATOM 1488 O CYS A 119 -2.420 12.150 -12.488 1.00 0.76 O ATOM 1489 CB CYS A 119 0.097 12.152 -14.350 1.00 1.11 C ATOM 1490 SG CYS A 119 1.843 11.930 -14.757 1.00 2.07 S ATOM 0 H CYS A 119 0.316 9.757 -14.827 1.00 0.84 H new ATOM 0 HA CYS A 119 0.009 11.173 -12.438 1.00 0.88 H new ATOM 0 HB2 CYS A 119 -0.482 12.153 -15.274 1.00 1.11 H new ATOM 0 HB3 CYS A 119 -0.035 13.131 -13.890 1.00 1.11 H new ATOM 0 HG CYS A 119 2.226 12.881 -15.556 1.00 2.07 H new ATOM 1496 N ARG A 120 -2.750 10.511 -13.996 1.00 0.82 N ATOM 1497 CA ARG A 120 -4.205 10.548 -13.928 1.00 0.82 C ATOM 1498 C ARG A 120 -4.701 10.014 -12.578 1.00 0.68 C ATOM 1499 O ARG A 120 -5.769 10.397 -12.106 1.00 0.77 O ATOM 1500 CB ARG A 120 -4.789 9.717 -15.073 1.00 0.98 C ATOM 1501 CG ARG A 120 -6.229 10.062 -15.416 1.00 1.58 C ATOM 1502 CD ARG A 120 -6.354 11.490 -15.928 1.00 2.22 C ATOM 1503 NE ARG A 120 -5.453 11.754 -17.054 1.00 2.86 N ATOM 1504 CZ ARG A 120 -5.852 12.215 -18.243 1.00 3.77 C ATOM 1505 NH1 ARG A 120 -7.136 12.434 -18.479 1.00 4.23 N ATOM 1506 NH2 ARG A 120 -4.961 12.469 -19.195 1.00 4.59 N ATOM 0 H ARG A 120 -2.384 9.831 -14.662 1.00 0.82 H new ATOM 0 HA ARG A 120 -4.536 11.582 -14.024 1.00 0.82 H new ATOM 0 HB2 ARG A 120 -4.172 9.856 -15.961 1.00 0.98 H new ATOM 0 HB3 ARG A 120 -4.733 8.661 -14.808 1.00 0.98 H new ATOM 0 HG2 ARG A 120 -6.600 9.370 -16.172 1.00 1.58 H new ATOM 0 HG3 ARG A 120 -6.855 9.935 -14.533 1.00 1.58 H new ATOM 0 HD2 ARG A 120 -7.383 11.675 -16.237 1.00 2.22 H new ATOM 0 HD3 ARG A 120 -6.134 12.185 -15.118 1.00 2.22 H new ATOM 0 HE ARG A 120 -4.458 11.574 -16.921 1.00 2.86 H new ATOM 0 HH11 ARG A 120 -7.827 12.251 -17.751 1.00 4.23 H new ATOM 0 HH12 ARG A 120 -7.435 12.786 -19.389 1.00 4.23 H new ATOM 0 HH21 ARG A 120 -3.969 12.312 -19.020 1.00 4.59 H new ATOM 0 HH22 ARG A 120 -5.269 12.821 -20.101 1.00 4.59 H new ATOM 1520 N HIS A 121 -3.920 9.127 -11.964 1.00 0.57 N ATOM 1521 CA HIS A 121 -4.246 8.609 -10.631 1.00 0.56 C ATOM 1522 C HIS A 121 -3.443 9.360 -9.583 1.00 0.50 C ATOM 1523 O HIS A 121 -3.764 9.355 -8.401 1.00 0.63 O ATOM 1524 CB HIS A 121 -3.981 7.106 -10.541 1.00 0.66 C ATOM 1525 CG HIS A 121 -4.963 6.290 -11.321 1.00 0.72 C ATOM 1526 ND1 HIS A 121 -4.665 5.064 -11.862 1.00 1.34 N ATOM 1527 CD2 HIS A 121 -6.256 6.534 -11.634 1.00 1.33 C ATOM 1528 CE1 HIS A 121 -5.735 4.586 -12.475 1.00 1.34 C ATOM 1529 NE2 HIS A 121 -6.718 5.458 -12.350 1.00 1.22 N ATOM 0 H HIS A 121 -3.060 8.752 -12.364 1.00 0.57 H new ATOM 0 HA HIS A 121 -5.309 8.765 -10.447 1.00 0.56 H new ATOM 0 HB2 HIS A 121 -2.975 6.898 -10.905 1.00 0.66 H new ATOM 0 HB3 HIS A 121 -4.012 6.799 -9.495 1.00 0.66 H new ATOM 0 HD2 HIS A 121 -6.822 7.415 -11.369 1.00 1.33 H new ATOM 0 HE1 HIS A 121 -5.795 3.640 -12.992 1.00 1.34 H new ATOM 0 HE2 HIS A 121 -7.661 5.350 -12.723 1.00 1.22 H new ATOM 1538 N ARG A 122 -2.394 10.005 -10.055 1.00 0.49 N ATOM 1539 CA ARG A 122 -1.591 10.928 -9.266 1.00 0.50 C ATOM 1540 C ARG A 122 -2.229 12.312 -9.330 1.00 0.62 C ATOM 1541 O ARG A 122 -1.541 13.323 -9.421 1.00 1.05 O ATOM 1542 CB ARG A 122 -0.152 10.969 -9.782 1.00 0.64 C ATOM 1543 CG ARG A 122 0.808 11.652 -8.827 1.00 0.75 C ATOM 1544 CD ARG A 122 2.222 11.685 -9.369 1.00 0.95 C ATOM 1545 NE ARG A 122 3.119 12.349 -8.436 1.00 1.67 N ATOM 1546 CZ ARG A 122 4.423 12.107 -8.354 1.00 2.32 C ATOM 1547 NH1 ARG A 122 4.998 11.254 -9.197 1.00 2.38 N ATOM 1548 NH2 ARG A 122 5.152 12.720 -7.431 1.00 3.30 N ATOM 0 H ARG A 122 -2.067 9.902 -11.016 1.00 0.49 H new ATOM 0 HA ARG A 122 -1.559 10.591 -8.230 1.00 0.50 H new ATOM 0 HB2 ARG A 122 0.191 9.950 -9.964 1.00 0.64 H new ATOM 0 HB3 ARG A 122 -0.131 11.488 -10.740 1.00 0.64 H new ATOM 0 HG2 ARG A 122 0.468 12.670 -8.639 1.00 0.75 H new ATOM 0 HG3 ARG A 122 0.799 11.131 -7.870 1.00 0.75 H new ATOM 0 HD2 ARG A 122 2.569 10.668 -9.553 1.00 0.95 H new ATOM 0 HD3 ARG A 122 2.237 12.205 -10.327 1.00 0.95 H new ATOM 0 HE ARG A 122 2.722 13.045 -7.805 1.00 1.67 H new ATOM 0 HH11 ARG A 122 4.438 10.784 -9.908 1.00 2.38 H new ATOM 0 HH12 ARG A 122 5.999 11.070 -9.132 1.00 2.38 H new ATOM 0 HH21 ARG A 122 4.712 13.376 -6.786 1.00 3.30 H new ATOM 0 HH22 ARG A 122 6.153 12.536 -7.366 1.00 3.30 H new ATOM 1562 N LEU A 123 -3.558 12.319 -9.383 1.00 0.57 N ATOM 1563 CA LEU A 123 -4.356 13.499 -9.769 1.00 0.82 C ATOM 1564 C LEU A 123 -4.178 14.728 -8.856 1.00 0.73 C ATOM 1565 O LEU A 123 -4.900 15.711 -9.017 1.00 1.31 O ATOM 1566 CB LEU A 123 -5.848 13.138 -9.842 1.00 1.23 C ATOM 1567 CG LEU A 123 -6.572 12.965 -8.498 1.00 0.98 C ATOM 1568 CD1 LEU A 123 -8.071 12.847 -8.720 1.00 1.12 C ATOM 1569 CD2 LEU A 123 -6.064 11.747 -7.741 1.00 1.47 C ATOM 0 H LEU A 123 -4.125 11.502 -9.159 1.00 0.57 H new ATOM 0 HA LEU A 123 -3.974 13.787 -10.748 1.00 0.82 H new ATOM 0 HB2 LEU A 123 -6.361 13.915 -10.410 1.00 1.23 H new ATOM 0 HB3 LEU A 123 -5.949 12.211 -10.407 1.00 1.23 H new ATOM 0 HG LEU A 123 -6.363 13.848 -7.894 1.00 0.98 H new ATOM 0 HD11 LEU A 123 -8.572 12.725 -7.760 1.00 1.12 H new ATOM 0 HD12 LEU A 123 -8.438 13.749 -9.209 1.00 1.12 H new ATOM 0 HD13 LEU A 123 -8.279 11.982 -9.350 1.00 1.12 H new ATOM 0 HD21 LEU A 123 -6.599 11.657 -6.796 1.00 1.47 H new ATOM 0 HD22 LEU A 123 -6.231 10.851 -8.339 1.00 1.47 H new ATOM 0 HD23 LEU A 123 -4.998 11.859 -7.545 1.00 1.47 H new ATOM 1581 N GLU A 124 -3.246 14.663 -7.905 1.00 0.59 N ATOM 1582 CA GLU A 124 -2.872 15.820 -7.080 1.00 0.63 C ATOM 1583 C GLU A 124 -2.715 17.088 -7.927 1.00 0.79 C ATOM 1584 O GLU A 124 -1.852 17.105 -8.835 1.00 1.47 O ATOM 1585 CB GLU A 124 -1.562 15.541 -6.323 1.00 0.93 C ATOM 1586 CG GLU A 124 -0.430 15.037 -7.216 1.00 1.70 C ATOM 1587 CD GLU A 124 0.939 15.125 -6.572 1.00 2.39 C ATOM 1588 OE1 GLU A 124 1.504 16.239 -6.529 1.00 3.01 O ATOM 1589 OE2 GLU A 124 1.467 14.085 -6.128 1.00 2.69 O ATOM 1590 OXT GLU A 124 -3.449 18.069 -7.679 1.00 1.11 O ATOM 0 H GLU A 124 -2.729 13.812 -7.683 1.00 0.59 H new ATOM 0 HA GLU A 124 -3.677 15.983 -6.364 1.00 0.63 H new ATOM 0 HB2 GLU A 124 -1.240 16.455 -5.824 1.00 0.93 H new ATOM 0 HB3 GLU A 124 -1.753 14.803 -5.544 1.00 0.93 H new ATOM 0 HG2 GLU A 124 -0.628 14.000 -7.488 1.00 1.70 H new ATOM 0 HG3 GLU A 124 -0.424 15.614 -8.141 1.00 1.70 H new