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 125:sc= 0.815 USER MOD Set 1.2: A 121 HIS : no HD1:sc= 0.316 K(o=1.1,f=-2.6) USER MOD Set 2.1: A 71 MET CE :methyl -118:sc= -2.57 (180deg=-1.97) USER MOD Set 2.2: A 74 THR OG1 : rot 100:sc= -0.0125 USER MOD Single : A 25 THR OG1 : rot -35:sc= 0.0499 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -175:sc= -1.95 (180deg=-2.07) USER MOD Single : A 42 SER OG : rot 180:sc= -0.029 USER MOD Single : A 48 THR OG1 : rot 86:sc= 1.22 USER MOD Single : A 53 SER OG : rot -20:sc= 0.167 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 50:sc= -0.0277 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 160:sc= 0 USER MOD Single : A 67 THR OG1 : rot -44:sc= 1.16 USER MOD Single : A 68 HIS : no HD1:sc= -1.43 X(o=-1.4,f=-1.5) 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= -1.22 X(o=-1.2,f=-0.83) USER MOD Single : A 87 MET CE :methyl 145:sc= -0.815 (180deg=-3!) USER MOD Single : A 94 CYS SG : rot 78:sc= 0.174 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0555 USER MOD Single : A 108 SER OG : rot 96:sc= 0.559 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 63 N THR A 25 4.428 -6.279 5.666 1.00 1.09 N ATOM 64 CA THR A 25 4.677 -5.428 4.515 1.00 0.85 C ATOM 65 C THR A 25 5.117 -6.278 3.335 1.00 1.01 C ATOM 66 O THR A 25 4.954 -5.892 2.181 1.00 1.99 O ATOM 67 CB THR A 25 5.748 -4.366 4.818 1.00 0.70 C ATOM 68 OG1 THR A 25 6.979 -4.998 5.186 1.00 0.83 O ATOM 69 CG2 THR A 25 5.289 -3.446 5.940 1.00 0.96 C ATOM 0 HA THR A 25 3.749 -4.910 4.273 1.00 0.85 H new ATOM 0 HB THR A 25 5.904 -3.771 3.918 1.00 0.70 H new ATOM 0 HG1 THR A 25 6.789 -5.814 5.694 1.00 0.83 H new ATOM 0 HG21 THR A 25 6.060 -2.702 6.139 1.00 0.96 H new ATOM 0 HG22 THR A 25 4.368 -2.944 5.645 1.00 0.96 H new ATOM 0 HG23 THR A 25 5.109 -4.033 6.841 1.00 0.96 H new ATOM 77 N ARG A 26 5.680 -7.440 3.650 1.00 0.78 N ATOM 78 CA ARG A 26 6.129 -8.393 2.641 1.00 0.81 C ATOM 79 C ARG A 26 7.228 -7.822 1.744 1.00 0.79 C ATOM 80 O ARG A 26 8.413 -8.071 1.969 1.00 0.95 O ATOM 81 CB ARG A 26 4.942 -8.851 1.790 1.00 1.04 C ATOM 82 CG ARG A 26 4.934 -10.344 1.502 1.00 1.15 C ATOM 83 CD ARG A 26 6.112 -10.757 0.637 1.00 1.19 C ATOM 84 NE ARG A 26 6.116 -12.192 0.372 1.00 1.65 N ATOM 85 CZ ARG A 26 6.647 -12.740 -0.715 1.00 1.90 C ATOM 86 NH1 ARG A 26 7.218 -11.977 -1.636 1.00 2.06 N ATOM 87 NH2 ARG A 26 6.608 -14.054 -0.880 1.00 2.51 N ATOM 0 H ARG A 26 5.838 -7.747 4.610 1.00 0.78 H new ATOM 0 HA ARG A 26 6.556 -9.245 3.169 1.00 0.81 H new ATOM 0 HB2 ARG A 26 4.017 -8.584 2.300 1.00 1.04 H new ATOM 0 HB3 ARG A 26 4.953 -8.308 0.845 1.00 1.04 H new ATOM 0 HG2 ARG A 26 4.962 -10.896 2.442 1.00 1.15 H new ATOM 0 HG3 ARG A 26 4.004 -10.613 1.002 1.00 1.15 H new ATOM 0 HD2 ARG A 26 6.077 -10.214 -0.307 1.00 1.19 H new ATOM 0 HD3 ARG A 26 7.042 -10.477 1.132 1.00 1.19 H new ATOM 0 HE ARG A 26 5.686 -12.809 1.061 1.00 1.65 H new ATOM 0 HH11 ARG A 26 7.251 -10.965 -1.511 1.00 2.06 H new ATOM 0 HH12 ARG A 26 7.625 -12.402 -2.469 1.00 2.06 H new ATOM 0 HH21 ARG A 26 6.170 -14.644 -0.172 1.00 2.51 H new ATOM 0 HH22 ARG A 26 7.016 -14.476 -1.715 1.00 2.51 H new ATOM 101 N PHE A 27 6.832 -7.057 0.730 1.00 0.72 N ATOM 102 CA PHE A 27 7.784 -6.483 -0.215 1.00 0.77 C ATOM 103 C PHE A 27 8.038 -4.997 0.054 1.00 0.71 C ATOM 104 O PHE A 27 7.160 -4.164 -0.176 1.00 0.72 O ATOM 105 CB PHE A 27 7.262 -6.671 -1.642 1.00 0.88 C ATOM 106 CG PHE A 27 8.171 -6.121 -2.703 1.00 0.78 C ATOM 107 CD1 PHE A 27 9.346 -6.776 -3.034 1.00 0.89 C ATOM 108 CD2 PHE A 27 7.847 -4.953 -3.375 1.00 0.96 C ATOM 109 CE1 PHE A 27 10.182 -6.275 -4.013 1.00 1.25 C ATOM 110 CE2 PHE A 27 8.680 -4.447 -4.354 1.00 1.35 C ATOM 111 CZ PHE A 27 9.848 -5.109 -4.674 1.00 1.51 C ATOM 0 H PHE A 27 5.858 -6.821 0.542 1.00 0.72 H new ATOM 0 HA PHE A 27 8.733 -7.004 -0.090 1.00 0.77 H new ATOM 0 HB2 PHE A 27 7.109 -7.735 -1.825 1.00 0.88 H new ATOM 0 HB3 PHE A 27 6.288 -6.190 -1.728 1.00 0.88 H new ATOM 0 HD1 PHE A 27 9.611 -7.689 -2.521 1.00 0.89 H new ATOM 0 HD2 PHE A 27 6.933 -4.432 -3.130 1.00 0.96 H new ATOM 0 HE1 PHE A 27 11.096 -6.794 -4.261 1.00 1.25 H new ATOM 0 HE2 PHE A 27 8.418 -3.534 -4.868 1.00 1.35 H new ATOM 0 HZ PHE A 27 10.500 -4.716 -5.440 1.00 1.51 H new ATOM 121 N PRO A 28 9.246 -4.637 0.544 1.00 0.72 N ATOM 122 CA PRO A 28 9.600 -3.243 0.815 1.00 0.81 C ATOM 123 C PRO A 28 9.793 -2.456 -0.478 1.00 1.01 C ATOM 124 O PRO A 28 9.439 -2.929 -1.557 1.00 2.02 O ATOM 125 CB PRO A 28 10.926 -3.332 1.587 1.00 0.91 C ATOM 126 CG PRO A 28 11.104 -4.775 1.926 1.00 1.03 C ATOM 127 CD PRO A 28 10.352 -5.547 0.881 1.00 0.76 C ATOM 0 HA PRO A 28 8.818 -2.725 1.370 1.00 0.81 H new ATOM 0 HB2 PRO A 28 11.756 -2.967 0.982 1.00 0.91 H new ATOM 0 HB3 PRO A 28 10.896 -2.720 2.488 1.00 0.91 H new ATOM 0 HG2 PRO A 28 12.159 -5.047 1.927 1.00 1.03 H new ATOM 0 HG3 PRO A 28 10.718 -4.991 2.922 1.00 1.03 H new ATOM 0 HD2 PRO A 28 10.974 -5.767 0.014 1.00 0.76 H new ATOM 0 HD3 PRO A 28 9.990 -6.501 1.264 1.00 0.76 H new ATOM 135 N GLY A 29 10.361 -1.262 -0.369 1.00 0.67 N ATOM 136 CA GLY A 29 10.581 -0.442 -1.547 1.00 0.68 C ATOM 137 C GLY A 29 9.355 0.367 -1.917 1.00 0.65 C ATOM 138 O GLY A 29 9.432 1.584 -2.083 1.00 0.86 O ATOM 0 H GLY A 29 10.672 -0.847 0.509 1.00 0.67 H new ATOM 0 HA2 GLY A 29 11.419 0.232 -1.367 1.00 0.68 H new ATOM 0 HA3 GLY A 29 10.860 -1.080 -2.385 1.00 0.68 H new ATOM 142 N VAL A 30 8.221 -0.315 -2.055 1.00 0.69 N ATOM 143 CA VAL A 30 6.969 0.347 -2.394 1.00 0.68 C ATOM 144 C VAL A 30 6.148 0.606 -1.136 1.00 0.70 C ATOM 145 O VAL A 30 5.241 -0.158 -0.804 1.00 0.75 O ATOM 146 CB VAL A 30 6.132 -0.488 -3.384 1.00 0.70 C ATOM 147 CG1 VAL A 30 4.865 0.256 -3.780 1.00 1.01 C ATOM 148 CG2 VAL A 30 6.954 -0.841 -4.613 1.00 1.15 C ATOM 0 H VAL A 30 8.146 -1.325 -1.937 1.00 0.69 H new ATOM 0 HA VAL A 30 7.223 1.294 -2.871 1.00 0.68 H new ATOM 0 HB VAL A 30 5.841 -1.414 -2.889 1.00 0.70 H new ATOM 0 HG11 VAL A 30 4.290 -0.351 -4.479 1.00 1.01 H new ATOM 0 HG12 VAL A 30 4.265 0.452 -2.891 1.00 1.01 H new ATOM 0 HG13 VAL A 30 5.131 1.201 -4.254 1.00 1.01 H new ATOM 0 HG21 VAL A 30 6.347 -1.430 -5.300 1.00 1.15 H new ATOM 0 HG22 VAL A 30 7.278 0.074 -5.109 1.00 1.15 H new ATOM 0 HG23 VAL A 30 7.827 -1.420 -4.313 1.00 1.15 H new ATOM 158 N ALA A 31 6.481 1.680 -0.432 1.00 0.71 N ATOM 159 CA ALA A 31 5.777 2.039 0.791 1.00 0.73 C ATOM 160 C ALA A 31 4.442 2.696 0.471 1.00 0.65 C ATOM 161 O ALA A 31 4.383 3.672 -0.276 1.00 0.76 O ATOM 162 CB ALA A 31 6.638 2.959 1.641 1.00 0.84 C ATOM 0 H ALA A 31 7.235 2.318 -0.688 1.00 0.71 H new ATOM 0 HA ALA A 31 5.578 1.129 1.356 1.00 0.73 H new ATOM 0 HB1 ALA A 31 6.101 3.221 2.553 1.00 0.84 H new ATOM 0 HB2 ALA A 31 7.567 2.451 1.900 1.00 0.84 H new ATOM 0 HB3 ALA A 31 6.864 3.866 1.081 1.00 0.84 H new ATOM 168 N ILE A 32 3.371 2.152 1.040 1.00 0.57 N ATOM 169 CA ILE A 32 2.032 2.680 0.807 1.00 0.48 C ATOM 170 C ILE A 32 1.376 3.138 2.104 1.00 0.44 C ATOM 171 O ILE A 32 1.054 2.321 2.968 1.00 0.54 O ATOM 172 CB ILE A 32 1.125 1.625 0.147 1.00 0.49 C ATOM 173 CG1 ILE A 32 1.815 1.020 -1.076 1.00 0.59 C ATOM 174 CG2 ILE A 32 -0.211 2.244 -0.238 1.00 0.49 C ATOM 175 CD1 ILE A 32 1.110 -0.202 -1.623 1.00 0.67 C ATOM 0 H ILE A 32 3.404 1.347 1.665 1.00 0.57 H new ATOM 0 HA ILE A 32 2.148 3.535 0.140 1.00 0.48 H new ATOM 0 HB ILE A 32 0.938 0.825 0.864 1.00 0.49 H new ATOM 0 HG12 ILE A 32 1.877 1.775 -1.859 1.00 0.59 H new ATOM 0 HG13 ILE A 32 2.838 0.752 -0.811 1.00 0.59 H new ATOM 0 HG21 ILE A 32 -0.842 1.487 -0.703 1.00 0.49 H new ATOM 0 HG22 ILE A 32 -0.704 2.629 0.654 1.00 0.49 H new ATOM 0 HG23 ILE A 32 -0.045 3.060 -0.941 1.00 0.49 H new ATOM 0 HD11 ILE A 32 1.654 -0.579 -2.489 1.00 0.67 H new ATOM 0 HD12 ILE A 32 1.072 -0.974 -0.855 1.00 0.67 H new ATOM 0 HD13 ILE A 32 0.096 0.065 -1.920 1.00 0.67 H new ATOM 187 N TYR A 33 1.180 4.445 2.237 1.00 0.38 N ATOM 188 CA TYR A 33 0.546 4.997 3.425 1.00 0.38 C ATOM 189 C TYR A 33 -0.936 5.247 3.167 1.00 0.34 C ATOM 190 O TYR A 33 -1.302 5.940 2.218 1.00 0.41 O ATOM 191 CB TYR A 33 1.227 6.296 3.856 1.00 0.54 C ATOM 192 CG TYR A 33 0.748 6.798 5.199 1.00 0.58 C ATOM 193 CD1 TYR A 33 1.180 6.199 6.376 1.00 1.01 C ATOM 194 CD2 TYR A 33 -0.141 7.862 5.291 1.00 0.56 C ATOM 195 CE1 TYR A 33 0.743 6.648 7.607 1.00 1.18 C ATOM 196 CE2 TYR A 33 -0.583 8.315 6.519 1.00 0.64 C ATOM 197 CZ TYR A 33 -0.138 7.706 7.673 1.00 0.90 C ATOM 198 OH TYR A 33 -0.578 8.152 8.897 1.00 1.11 O ATOM 0 H TYR A 33 1.450 5.138 1.539 1.00 0.38 H new ATOM 0 HA TYR A 33 0.650 4.270 4.231 1.00 0.38 H new ATOM 0 HB2 TYR A 33 2.305 6.138 3.897 1.00 0.54 H new ATOM 0 HB3 TYR A 33 1.045 7.062 3.102 1.00 0.54 H new ATOM 0 HD1 TYR A 33 1.869 5.369 6.328 1.00 1.01 H new ATOM 0 HD2 TYR A 33 -0.492 8.342 4.389 1.00 0.56 H new ATOM 0 HE1 TYR A 33 1.090 6.173 8.513 1.00 1.18 H new ATOM 0 HE2 TYR A 33 -1.274 9.143 6.575 1.00 0.64 H new ATOM 0 HH TYR A 33 -1.193 8.904 8.769 1.00 1.11 H new ATOM 208 N LEU A 34 -1.781 4.678 4.019 1.00 0.33 N ATOM 209 CA LEU A 34 -3.224 4.829 3.881 1.00 0.36 C ATOM 210 C LEU A 34 -3.755 5.880 4.850 1.00 0.31 C ATOM 211 O LEU A 34 -3.354 5.923 6.013 1.00 0.35 O ATOM 212 CB LEU A 34 -3.919 3.494 4.145 1.00 0.45 C ATOM 213 CG LEU A 34 -3.315 2.289 3.423 1.00 0.64 C ATOM 214 CD1 LEU A 34 -3.691 1.001 4.136 1.00 1.18 C ATOM 215 CD2 LEU A 34 -3.776 2.247 1.975 1.00 1.06 C ATOM 0 H LEU A 34 -1.491 4.107 4.813 1.00 0.33 H new ATOM 0 HA LEU A 34 -3.435 5.154 2.862 1.00 0.36 H new ATOM 0 HB2 LEU A 34 -3.902 3.300 5.217 1.00 0.45 H new ATOM 0 HB3 LEU A 34 -4.966 3.584 3.854 1.00 0.45 H new ATOM 0 HG LEU A 34 -2.230 2.389 3.436 1.00 0.64 H new ATOM 0 HD11 LEU A 34 -3.253 0.153 3.610 1.00 1.18 H new ATOM 0 HD12 LEU A 34 -3.314 1.028 5.158 1.00 1.18 H new ATOM 0 HD13 LEU A 34 -4.776 0.897 4.152 1.00 1.18 H new ATOM 0 HD21 LEU A 34 -3.336 1.383 1.478 1.00 1.06 H new ATOM 0 HD22 LEU A 34 -4.863 2.170 1.941 1.00 1.06 H new ATOM 0 HD23 LEU A 34 -3.461 3.158 1.466 1.00 1.06 H new ATOM 227 N VAL A 35 -4.659 6.723 4.364 1.00 0.31 N ATOM 228 CA VAL A 35 -5.250 7.766 5.192 1.00 0.34 C ATOM 229 C VAL A 35 -6.454 7.226 5.955 1.00 0.46 C ATOM 230 O VAL A 35 -7.589 7.312 5.486 1.00 0.72 O ATOM 231 CB VAL A 35 -5.689 8.974 4.343 1.00 0.42 C ATOM 232 CG1 VAL A 35 -6.137 10.123 5.234 1.00 0.90 C ATOM 233 CG2 VAL A 35 -4.562 9.411 3.421 1.00 1.39 C ATOM 0 H VAL A 35 -4.998 6.704 3.402 1.00 0.31 H new ATOM 0 HA VAL A 35 -4.486 8.092 5.898 1.00 0.34 H new ATOM 0 HB VAL A 35 -6.538 8.674 3.728 1.00 0.42 H new ATOM 0 HG11 VAL A 35 -6.443 10.966 4.614 1.00 0.90 H new ATOM 0 HG12 VAL A 35 -6.978 9.801 5.849 1.00 0.90 H new ATOM 0 HG13 VAL A 35 -5.312 10.427 5.878 1.00 0.90 H new ATOM 0 HG21 VAL A 35 -4.888 10.265 2.828 1.00 1.39 H new ATOM 0 HG22 VAL A 35 -3.693 9.693 4.016 1.00 1.39 H new ATOM 0 HG23 VAL A 35 -4.296 8.589 2.757 1.00 1.39 H new ATOM 243 N GLU A 36 -6.195 6.665 7.132 1.00 0.59 N ATOM 244 CA GLU A 36 -7.250 6.096 7.967 1.00 0.77 C ATOM 245 C GLU A 36 -8.393 7.090 8.217 1.00 0.71 C ATOM 246 O GLU A 36 -9.560 6.727 8.074 1.00 0.79 O ATOM 247 CB GLU A 36 -6.674 5.612 9.298 1.00 1.03 C ATOM 248 CG GLU A 36 -5.605 4.545 9.141 1.00 1.76 C ATOM 249 CD GLU A 36 -5.125 4.004 10.472 1.00 1.96 C ATOM 250 OE1 GLU A 36 -4.281 4.666 11.112 1.00 2.34 O ATOM 251 OE2 GLU A 36 -5.594 2.920 10.875 1.00 2.24 O ATOM 0 H GLU A 36 -5.259 6.592 7.531 1.00 0.59 H new ATOM 0 HA GLU A 36 -7.667 5.248 7.424 1.00 0.77 H new ATOM 0 HB2 GLU A 36 -6.252 6.463 9.833 1.00 1.03 H new ATOM 0 HB3 GLU A 36 -7.483 5.218 9.913 1.00 1.03 H new ATOM 0 HG2 GLU A 36 -6.000 3.725 8.541 1.00 1.76 H new ATOM 0 HG3 GLU A 36 -4.758 4.961 8.595 1.00 1.76 H new ATOM 258 N PRO A 37 -8.090 8.354 8.600 1.00 0.70 N ATOM 259 CA PRO A 37 -9.130 9.362 8.856 1.00 0.83 C ATOM 260 C PRO A 37 -10.080 9.544 7.674 1.00 0.90 C ATOM 261 O PRO A 37 -11.170 10.097 7.822 1.00 1.46 O ATOM 262 CB PRO A 37 -8.339 10.649 9.105 1.00 0.91 C ATOM 263 CG PRO A 37 -6.990 10.194 9.540 1.00 0.91 C ATOM 264 CD PRO A 37 -6.734 8.898 8.823 1.00 0.73 C ATOM 0 HA PRO A 37 -9.769 9.071 9.690 1.00 0.83 H new ATOM 0 HB2 PRO A 37 -8.278 11.256 8.202 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -8.814 11.263 9.870 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -6.230 10.934 9.290 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -6.956 10.055 10.621 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -6.206 9.057 7.883 1.00 0.73 H new ATOM 0 HD3 PRO A 37 -6.124 8.222 9.422 1.00 0.73 H new ATOM 272 N ARG A 38 -9.660 9.080 6.500 1.00 0.89 N ATOM 273 CA ARG A 38 -10.473 9.189 5.292 1.00 0.93 C ATOM 274 C ARG A 38 -10.464 7.876 4.515 1.00 0.92 C ATOM 275 O ARG A 38 -10.384 7.870 3.287 1.00 1.42 O ATOM 276 CB ARG A 38 -9.955 10.323 4.403 1.00 0.99 C ATOM 277 CG ARG A 38 -9.960 11.683 5.081 1.00 1.31 C ATOM 278 CD ARG A 38 -11.375 12.178 5.336 1.00 1.06 C ATOM 279 NE ARG A 38 -11.774 13.208 4.382 1.00 1.41 N ATOM 280 CZ ARG A 38 -13.022 13.638 4.237 1.00 1.91 C ATOM 281 NH1 ARG A 38 -14.000 13.109 4.961 1.00 2.37 N ATOM 282 NH2 ARG A 38 -13.294 14.596 3.363 1.00 2.60 N ATOM 0 H ARG A 38 -8.759 8.624 6.359 1.00 0.89 H new ATOM 0 HA ARG A 38 -11.498 9.410 5.591 1.00 0.93 H new ATOM 0 HB2 ARG A 38 -8.939 10.089 4.086 1.00 0.99 H new ATOM 0 HB3 ARG A 38 -10.566 10.374 3.502 1.00 0.99 H new ATOM 0 HG2 ARG A 38 -9.420 11.621 6.026 1.00 1.31 H new ATOM 0 HG3 ARG A 38 -9.429 12.403 4.458 1.00 1.31 H new ATOM 0 HD2 ARG A 38 -12.069 11.340 5.276 1.00 1.06 H new ATOM 0 HD3 ARG A 38 -11.443 12.576 6.349 1.00 1.06 H new ATOM 0 HE ARG A 38 -11.052 13.622 3.792 1.00 1.41 H new ATOM 0 HH11 ARG A 38 -13.795 12.369 5.632 1.00 2.37 H new ATOM 0 HH12 ARG A 38 -14.957 13.442 4.846 1.00 2.37 H new ATOM 0 HH21 ARG A 38 -12.545 15.002 2.802 1.00 2.60 H new ATOM 0 HH22 ARG A 38 -14.252 14.927 3.251 1.00 2.60 H new ATOM 296 N MET A 39 -10.552 6.766 5.239 1.00 0.73 N ATOM 297 CA MET A 39 -10.546 5.446 4.618 1.00 0.74 C ATOM 298 C MET A 39 -11.400 4.467 5.415 1.00 0.74 C ATOM 299 O MET A 39 -11.175 4.264 6.607 1.00 1.05 O ATOM 300 CB MET A 39 -9.112 4.918 4.524 1.00 0.80 C ATOM 301 CG MET A 39 -8.998 3.561 3.847 1.00 1.19 C ATOM 302 SD MET A 39 -9.052 3.672 2.049 1.00 1.27 S ATOM 303 CE MET A 39 -7.508 4.515 1.717 1.00 0.61 C ATOM 0 H MET A 39 -10.628 6.753 6.256 1.00 0.73 H new ATOM 0 HA MET A 39 -10.966 5.539 3.617 1.00 0.74 H new ATOM 0 HB2 MET A 39 -8.505 5.639 3.976 1.00 0.80 H new ATOM 0 HB3 MET A 39 -8.694 4.848 5.528 1.00 0.80 H new ATOM 0 HG2 MET A 39 -8.065 3.086 4.149 1.00 1.19 H new ATOM 0 HG3 MET A 39 -9.809 2.919 4.192 1.00 1.19 H new ATOM 0 HE1 MET A 39 -7.436 4.737 0.652 1.00 0.61 H new ATOM 0 HE2 MET A 39 -7.472 5.445 2.285 1.00 0.61 H new ATOM 0 HE3 MET A 39 -6.675 3.877 2.011 1.00 0.61 H new ATOM 313 N GLY A 40 -12.384 3.868 4.753 1.00 1.32 N ATOM 314 CA GLY A 40 -13.238 2.907 5.422 1.00 1.52 C ATOM 315 C GLY A 40 -12.444 1.726 5.941 1.00 1.39 C ATOM 316 O GLY A 40 -11.629 1.158 5.216 1.00 1.36 O ATOM 0 H GLY A 40 -12.604 4.030 3.770 1.00 1.32 H new ATOM 0 HA2 GLY A 40 -13.754 3.392 6.250 1.00 1.52 H new ATOM 0 HA3 GLY A 40 -14.004 2.556 4.731 1.00 1.52 H new ATOM 320 N ARG A 41 -12.672 1.359 7.198 1.00 1.34 N ATOM 321 CA ARG A 41 -11.957 0.241 7.806 1.00 1.26 C ATOM 322 C ARG A 41 -12.247 -1.062 7.067 1.00 1.15 C ATOM 323 O ARG A 41 -11.411 -1.966 7.034 1.00 1.03 O ATOM 324 CB ARG A 41 -12.336 0.107 9.282 1.00 1.42 C ATOM 325 CG ARG A 41 -11.537 -0.952 10.021 1.00 1.79 C ATOM 326 CD ARG A 41 -12.371 -2.189 10.300 1.00 1.72 C ATOM 327 NE ARG A 41 -13.489 -1.903 11.195 1.00 2.20 N ATOM 328 CZ ARG A 41 -13.771 -2.624 12.276 1.00 2.49 C ATOM 329 NH1 ARG A 41 -13.012 -3.660 12.601 1.00 2.51 N ATOM 330 NH2 ARG A 41 -14.811 -2.308 13.035 1.00 3.20 N ATOM 0 H ARG A 41 -13.344 1.817 7.814 1.00 1.34 H new ATOM 0 HA ARG A 41 -10.888 0.443 7.732 1.00 1.26 H new ATOM 0 HB2 ARG A 41 -12.191 1.069 9.774 1.00 1.42 H new ATOM 0 HB3 ARG A 41 -13.397 -0.133 9.356 1.00 1.42 H new ATOM 0 HG2 ARG A 41 -10.663 -1.227 9.430 1.00 1.79 H new ATOM 0 HG3 ARG A 41 -11.169 -0.541 10.961 1.00 1.79 H new ATOM 0 HD2 ARG A 41 -12.752 -2.589 9.360 1.00 1.72 H new ATOM 0 HD3 ARG A 41 -11.740 -2.960 10.743 1.00 1.72 H new ATOM 0 HE ARG A 41 -14.087 -1.105 10.979 1.00 2.20 H new ATOM 0 HH11 ARG A 41 -12.209 -3.906 12.022 1.00 2.51 H new ATOM 0 HH12 ARG A 41 -13.230 -4.212 13.431 1.00 2.51 H new ATOM 0 HH21 ARG A 41 -15.397 -1.510 12.790 1.00 3.20 H new ATOM 0 HH22 ARG A 41 -15.025 -2.863 13.864 1.00 3.20 H new ATOM 344 N SER A 42 -13.433 -1.153 6.475 1.00 1.23 N ATOM 345 CA SER A 42 -13.827 -2.346 5.734 1.00 1.19 C ATOM 346 C SER A 42 -12.963 -2.515 4.487 1.00 1.02 C ATOM 347 O SER A 42 -12.511 -3.616 4.177 1.00 0.94 O ATOM 348 CB SER A 42 -15.301 -2.262 5.337 1.00 1.38 C ATOM 349 OG SER A 42 -15.536 -1.159 4.480 1.00 2.00 O ATOM 0 H SER A 42 -14.138 -0.416 6.494 1.00 1.23 H new ATOM 0 HA SER A 42 -13.682 -3.212 6.380 1.00 1.19 H new ATOM 0 HB2 SER A 42 -15.600 -3.184 4.838 1.00 1.38 H new ATOM 0 HB3 SER A 42 -15.917 -2.169 6.231 1.00 1.38 H new ATOM 0 HG SER A 42 -16.485 -1.128 4.239 1.00 2.00 H new ATOM 355 N ARG A 43 -12.737 -1.412 3.781 1.00 1.01 N ATOM 356 CA ARG A 43 -11.926 -1.431 2.570 1.00 0.91 C ATOM 357 C ARG A 43 -10.441 -1.476 2.913 1.00 0.74 C ATOM 358 O ARG A 43 -9.642 -2.054 2.178 1.00 0.60 O ATOM 359 CB ARG A 43 -12.225 -0.202 1.714 1.00 1.08 C ATOM 360 CG ARG A 43 -11.369 -0.114 0.463 1.00 1.13 C ATOM 361 CD ARG A 43 -11.593 1.195 -0.269 1.00 1.08 C ATOM 362 NE ARG A 43 -10.766 1.300 -1.465 1.00 0.95 N ATOM 363 CZ ARG A 43 -11.259 1.488 -2.684 1.00 1.74 C ATOM 364 NH1 ARG A 43 -12.568 1.569 -2.869 1.00 2.48 N ATOM 365 NH2 ARG A 43 -10.441 1.590 -3.722 1.00 2.23 N ATOM 0 H ARG A 43 -13.105 -0.493 4.027 1.00 1.01 H new ATOM 0 HA ARG A 43 -12.179 -2.329 2.006 1.00 0.91 H new ATOM 0 HB2 ARG A 43 -13.276 -0.217 1.425 1.00 1.08 H new ATOM 0 HB3 ARG A 43 -12.072 0.695 2.314 1.00 1.08 H new ATOM 0 HG2 ARG A 43 -10.317 -0.206 0.733 1.00 1.13 H new ATOM 0 HG3 ARG A 43 -11.603 -0.948 -0.199 1.00 1.13 H new ATOM 0 HD2 ARG A 43 -12.644 1.280 -0.546 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -11.371 2.027 0.399 1.00 1.08 H new ATOM 0 HE ARG A 43 -9.754 1.225 -1.360 1.00 0.95 H new ATOM 0 HH11 ARG A 43 -13.201 1.487 -2.074 1.00 2.48 H new ATOM 0 HH12 ARG A 43 -12.943 1.713 -3.807 1.00 2.48 H new ATOM 0 HH21 ARG A 43 -9.432 1.524 -3.585 1.00 2.23 H new ATOM 0 HH22 ARG A 43 -10.820 1.734 -4.658 1.00 2.23 H new ATOM 379 N ARG A 44 -10.082 -0.856 4.030 1.00 0.81 N ATOM 380 CA ARG A 44 -8.695 -0.824 4.473 1.00 0.77 C ATOM 381 C ARG A 44 -8.189 -2.235 4.744 1.00 0.68 C ATOM 382 O ARG A 44 -7.178 -2.657 4.187 1.00 0.62 O ATOM 383 CB ARG A 44 -8.561 0.035 5.731 1.00 0.95 C ATOM 384 CG ARG A 44 -7.185 -0.029 6.369 1.00 0.98 C ATOM 385 CD ARG A 44 -7.065 0.941 7.530 1.00 1.46 C ATOM 386 NE ARG A 44 -6.005 0.552 8.455 1.00 1.62 N ATOM 387 CZ ARG A 44 -4.784 1.072 8.440 1.00 2.09 C ATOM 388 NH1 ARG A 44 -4.462 1.993 7.541 1.00 2.72 N ATOM 389 NH2 ARG A 44 -3.880 0.671 9.322 1.00 2.57 N ATOM 0 H ARG A 44 -10.733 -0.368 4.646 1.00 0.81 H new ATOM 0 HA ARG A 44 -8.089 -0.384 3.681 1.00 0.77 H new ATOM 0 HB2 ARG A 44 -8.787 1.071 5.479 1.00 0.95 H new ATOM 0 HB3 ARG A 44 -9.305 -0.285 6.460 1.00 0.95 H new ATOM 0 HG2 ARG A 44 -6.992 -1.043 6.719 1.00 0.98 H new ATOM 0 HG3 ARG A 44 -6.425 0.200 5.622 1.00 0.98 H new ATOM 0 HD2 ARG A 44 -6.865 1.942 7.148 1.00 1.46 H new ATOM 0 HD3 ARG A 44 -8.014 0.988 8.064 1.00 1.46 H new ATOM 0 HE ARG A 44 -6.215 -0.161 9.154 1.00 1.62 H new ATOM 0 HH11 ARG A 44 -5.154 2.303 6.859 1.00 2.72 H new ATOM 0 HH12 ARG A 44 -3.523 2.391 7.532 1.00 2.72 H new ATOM 0 HH21 ARG A 44 -4.122 -0.038 10.014 1.00 2.57 H new ATOM 0 HH22 ARG A 44 -2.942 1.072 9.309 1.00 2.57 H new ATOM 403 N ALA A 45 -8.900 -2.959 5.602 1.00 0.82 N ATOM 404 CA ALA A 45 -8.526 -4.327 5.939 1.00 0.77 C ATOM 405 C ALA A 45 -8.550 -5.212 4.698 1.00 0.61 C ATOM 406 O ALA A 45 -7.812 -6.193 4.605 1.00 0.58 O ATOM 407 CB ALA A 45 -9.460 -4.881 7.003 1.00 0.91 C ATOM 0 H ALA A 45 -9.738 -2.621 6.076 1.00 0.82 H new ATOM 0 HA ALA A 45 -7.510 -4.320 6.335 1.00 0.77 H new ATOM 0 HB1 ALA A 45 -9.170 -5.903 7.245 1.00 0.91 H new ATOM 0 HB2 ALA A 45 -9.397 -4.264 7.899 1.00 0.91 H new ATOM 0 HB3 ALA A 45 -10.484 -4.874 6.628 1.00 0.91 H new ATOM 413 N PHE A 46 -9.406 -4.850 3.749 1.00 0.63 N ATOM 414 CA PHE A 46 -9.542 -5.597 2.504 1.00 0.57 C ATOM 415 C PHE A 46 -8.291 -5.445 1.638 1.00 0.44 C ATOM 416 O PHE A 46 -7.769 -6.428 1.113 1.00 0.44 O ATOM 417 CB PHE A 46 -10.793 -5.119 1.750 1.00 0.69 C ATOM 418 CG PHE A 46 -10.642 -5.065 0.253 1.00 0.64 C ATOM 419 CD1 PHE A 46 -10.782 -6.209 -0.517 1.00 0.74 C ATOM 420 CD2 PHE A 46 -10.367 -3.863 -0.383 1.00 0.57 C ATOM 421 CE1 PHE A 46 -10.649 -6.155 -1.892 1.00 0.78 C ATOM 422 CE2 PHE A 46 -10.232 -3.805 -1.756 1.00 0.61 C ATOM 423 CZ PHE A 46 -10.373 -4.951 -2.512 1.00 0.71 C ATOM 0 H PHE A 46 -10.020 -4.038 3.819 1.00 0.63 H new ATOM 0 HA PHE A 46 -9.654 -6.656 2.737 1.00 0.57 H new ATOM 0 HB2 PHE A 46 -11.623 -5.782 1.994 1.00 0.69 H new ATOM 0 HB3 PHE A 46 -11.061 -4.126 2.111 1.00 0.69 H new ATOM 0 HD1 PHE A 46 -10.997 -7.153 -0.038 1.00 0.74 H new ATOM 0 HD2 PHE A 46 -10.257 -2.962 0.203 1.00 0.57 H new ATOM 0 HE1 PHE A 46 -10.761 -7.053 -2.481 1.00 0.78 H new ATOM 0 HE2 PHE A 46 -10.016 -2.863 -2.238 1.00 0.61 H new ATOM 0 HZ PHE A 46 -10.268 -4.907 -3.586 1.00 0.71 H new ATOM 433 N LEU A 47 -7.815 -4.211 1.493 1.00 0.39 N ATOM 434 CA LEU A 47 -6.631 -3.942 0.687 1.00 0.35 C ATOM 435 C LEU A 47 -5.358 -4.259 1.461 1.00 0.38 C ATOM 436 O LEU A 47 -4.302 -4.479 0.874 1.00 0.47 O ATOM 437 CB LEU A 47 -6.619 -2.481 0.223 1.00 0.36 C ATOM 438 CG LEU A 47 -6.716 -1.435 1.338 1.00 0.38 C ATOM 439 CD1 LEU A 47 -5.347 -1.147 1.936 1.00 0.44 C ATOM 440 CD2 LEU A 47 -7.347 -0.157 0.810 1.00 0.42 C ATOM 0 H LEU A 47 -8.231 -3.385 1.923 1.00 0.39 H new ATOM 0 HA LEU A 47 -6.667 -4.589 -0.189 1.00 0.35 H new ATOM 0 HB2 LEU A 47 -5.702 -2.304 -0.339 1.00 0.36 H new ATOM 0 HB3 LEU A 47 -7.450 -2.330 -0.467 1.00 0.36 H new ATOM 0 HG LEU A 47 -7.350 -1.837 2.128 1.00 0.38 H new ATOM 0 HD11 LEU A 47 -5.444 -0.401 2.725 1.00 0.44 H new ATOM 0 HD12 LEU A 47 -4.932 -2.065 2.353 1.00 0.44 H new ATOM 0 HD13 LEU A 47 -4.683 -0.769 1.159 1.00 0.44 H new ATOM 0 HD21 LEU A 47 -7.409 0.577 1.613 1.00 0.42 H new ATOM 0 HD22 LEU A 47 -6.737 0.243 0.000 1.00 0.42 H new ATOM 0 HD23 LEU A 47 -8.348 -0.373 0.437 1.00 0.42 H new ATOM 452 N THR A 48 -5.465 -4.276 2.784 1.00 0.40 N ATOM 453 CA THR A 48 -4.321 -4.569 3.636 1.00 0.48 C ATOM 454 C THR A 48 -3.910 -6.029 3.492 1.00 0.48 C ATOM 455 O THR A 48 -2.824 -6.329 2.999 1.00 0.57 O ATOM 456 CB THR A 48 -4.626 -4.259 5.117 1.00 0.59 C ATOM 457 OG1 THR A 48 -4.864 -2.857 5.285 1.00 0.64 O ATOM 458 CG2 THR A 48 -3.478 -4.687 6.017 1.00 0.69 C ATOM 0 H THR A 48 -6.332 -4.090 3.289 1.00 0.40 H new ATOM 0 HA THR A 48 -3.500 -3.929 3.314 1.00 0.48 H new ATOM 0 HB THR A 48 -5.516 -4.821 5.400 1.00 0.59 H new ATOM 0 HG1 THR A 48 -5.805 -2.660 5.096 1.00 0.64 H new ATOM 0 HG21 THR A 48 -3.723 -4.456 7.054 1.00 0.69 H new ATOM 0 HG22 THR A 48 -3.315 -5.760 5.913 1.00 0.69 H new ATOM 0 HG23 THR A 48 -2.572 -4.153 5.730 1.00 0.69 H new ATOM 466 N GLY A 49 -4.792 -6.931 3.914 1.00 0.45 N ATOM 467 CA GLY A 49 -4.509 -8.352 3.827 1.00 0.50 C ATOM 468 C GLY A 49 -4.114 -8.789 2.428 1.00 0.42 C ATOM 469 O GLY A 49 -3.333 -9.726 2.264 1.00 0.42 O ATOM 0 H GLY A 49 -5.701 -6.701 4.316 1.00 0.45 H new ATOM 0 HA2 GLY A 49 -3.706 -8.601 4.521 1.00 0.50 H new ATOM 0 HA3 GLY A 49 -5.389 -8.913 4.143 1.00 0.50 H new ATOM 473 N LEU A 50 -4.651 -8.110 1.418 1.00 0.43 N ATOM 474 CA LEU A 50 -4.347 -8.441 0.030 1.00 0.42 C ATOM 475 C LEU A 50 -2.974 -7.915 -0.375 1.00 0.41 C ATOM 476 O LEU A 50 -2.105 -8.684 -0.776 1.00 0.46 O ATOM 477 CB LEU A 50 -5.417 -7.874 -0.906 1.00 0.44 C ATOM 478 CG LEU A 50 -6.785 -8.558 -0.828 1.00 0.46 C ATOM 479 CD1 LEU A 50 -7.758 -7.900 -1.791 1.00 0.58 C ATOM 480 CD2 LEU A 50 -6.663 -10.045 -1.130 1.00 0.48 C ATOM 0 H LEU A 50 -5.297 -7.329 1.535 1.00 0.43 H new ATOM 0 HA LEU A 50 -4.339 -9.528 -0.056 1.00 0.42 H new ATOM 0 HB2 LEU A 50 -5.546 -6.815 -0.684 1.00 0.44 H new ATOM 0 HB3 LEU A 50 -5.053 -7.943 -1.931 1.00 0.44 H new ATOM 0 HG LEU A 50 -7.167 -8.447 0.187 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -8.726 -8.396 -1.725 1.00 0.58 H new ATOM 0 HD12 LEU A 50 -7.871 -6.847 -1.531 1.00 0.58 H new ATOM 0 HD13 LEU A 50 -7.376 -7.984 -2.808 1.00 0.58 H new ATOM 0 HD21 LEU A 50 -7.647 -10.511 -1.069 1.00 0.48 H new ATOM 0 HD22 LEU A 50 -6.259 -10.181 -2.133 1.00 0.48 H new ATOM 0 HD23 LEU A 50 -5.996 -10.510 -0.404 1.00 0.48 H new ATOM 492 N ALA A 51 -2.789 -6.601 -0.271 1.00 0.38 N ATOM 493 CA ALA A 51 -1.520 -5.971 -0.630 1.00 0.39 C ATOM 494 C ALA A 51 -0.345 -6.662 0.051 1.00 0.43 C ATOM 495 O ALA A 51 0.758 -6.705 -0.490 1.00 0.47 O ATOM 496 CB ALA A 51 -1.544 -4.492 -0.274 1.00 0.38 C ATOM 0 H ALA A 51 -3.502 -5.951 0.059 1.00 0.38 H new ATOM 0 HA ALA A 51 -1.389 -6.073 -1.707 1.00 0.39 H new ATOM 0 HB1 ALA A 51 -0.592 -4.037 -0.547 1.00 0.38 H new ATOM 0 HB2 ALA A 51 -2.351 -4.000 -0.817 1.00 0.38 H new ATOM 0 HB3 ALA A 51 -1.706 -4.378 0.798 1.00 0.38 H new ATOM 502 N ARG A 52 -0.592 -7.202 1.238 1.00 0.45 N ATOM 503 CA ARG A 52 0.443 -7.897 1.992 1.00 0.51 C ATOM 504 C ARG A 52 0.762 -9.243 1.354 1.00 0.60 C ATOM 505 O ARG A 52 1.907 -9.693 1.365 1.00 0.75 O ATOM 506 CB ARG A 52 -0.009 -8.105 3.437 1.00 0.54 C ATOM 507 CG ARG A 52 -0.167 -6.812 4.216 1.00 1.12 C ATOM 508 CD ARG A 52 -1.089 -6.985 5.415 1.00 1.04 C ATOM 509 NE ARG A 52 -0.860 -8.241 6.120 1.00 1.51 N ATOM 510 CZ ARG A 52 -1.345 -8.506 7.331 1.00 1.87 C ATOM 511 NH1 ARG A 52 -2.093 -7.610 7.961 1.00 1.75 N ATOM 512 NH2 ARG A 52 -1.078 -9.666 7.913 1.00 2.79 N ATOM 0 H ARG A 52 -1.501 -7.172 1.699 1.00 0.45 H new ATOM 0 HA ARG A 52 1.344 -7.283 1.982 1.00 0.51 H new ATOM 0 HB2 ARG A 52 -0.959 -8.639 3.438 1.00 0.54 H new ATOM 0 HB3 ARG A 52 0.714 -8.741 3.947 1.00 0.54 H new ATOM 0 HG2 ARG A 52 0.811 -6.470 4.555 1.00 1.12 H new ATOM 0 HG3 ARG A 52 -0.565 -6.038 3.560 1.00 1.12 H new ATOM 0 HD2 ARG A 52 -0.943 -6.153 6.104 1.00 1.04 H new ATOM 0 HD3 ARG A 52 -2.126 -6.944 5.081 1.00 1.04 H new ATOM 0 HE ARG A 52 -0.297 -8.956 5.660 1.00 1.51 H new ATOM 0 HH11 ARG A 52 -2.298 -6.715 7.518 1.00 1.75 H new ATOM 0 HH12 ARG A 52 -2.463 -7.816 8.889 1.00 1.75 H new ATOM 0 HH21 ARG A 52 -0.501 -10.356 7.433 1.00 2.79 H new ATOM 0 HH22 ARG A 52 -1.450 -9.869 8.841 1.00 2.79 H new ATOM 526 N SER A 53 -0.263 -9.877 0.799 1.00 0.54 N ATOM 527 CA SER A 53 -0.107 -11.175 0.157 1.00 0.61 C ATOM 528 C SER A 53 0.262 -11.022 -1.317 1.00 0.61 C ATOM 529 O SER A 53 0.673 -11.986 -1.965 1.00 0.69 O ATOM 530 CB SER A 53 -1.399 -11.981 0.292 1.00 0.63 C ATOM 531 OG SER A 53 -1.235 -13.294 -0.213 1.00 1.36 O ATOM 0 H SER A 53 -1.215 -9.511 0.781 1.00 0.54 H new ATOM 0 HA SER A 53 0.705 -11.705 0.655 1.00 0.61 H new ATOM 0 HB2 SER A 53 -1.696 -12.025 1.340 1.00 0.63 H new ATOM 0 HB3 SER A 53 -2.203 -11.479 -0.246 1.00 0.63 H new ATOM 0 HG SER A 53 -0.465 -13.318 -0.819 1.00 1.36 H new ATOM 537 N LYS A 54 0.114 -9.809 -1.842 1.00 0.57 N ATOM 538 CA LYS A 54 0.432 -9.536 -3.241 1.00 0.60 C ATOM 539 C LYS A 54 1.906 -9.186 -3.410 1.00 0.63 C ATOM 540 O LYS A 54 2.600 -9.756 -4.251 1.00 0.76 O ATOM 541 CB LYS A 54 -0.435 -8.390 -3.774 1.00 0.56 C ATOM 542 CG LYS A 54 -1.917 -8.723 -3.849 1.00 0.54 C ATOM 543 CD LYS A 54 -2.198 -9.810 -4.873 1.00 0.60 C ATOM 544 CE LYS A 54 -3.667 -10.194 -4.891 1.00 0.64 C ATOM 545 NZ LYS A 54 -3.940 -11.297 -5.851 1.00 0.83 N ATOM 0 H LYS A 54 -0.224 -9.000 -1.321 1.00 0.57 H new ATOM 0 HA LYS A 54 0.222 -10.440 -3.812 1.00 0.60 H new ATOM 0 HB2 LYS A 54 -0.300 -7.518 -3.134 1.00 0.56 H new ATOM 0 HB3 LYS A 54 -0.084 -8.114 -4.768 1.00 0.56 H new ATOM 0 HG2 LYS A 54 -2.267 -9.047 -2.869 1.00 0.54 H new ATOM 0 HG3 LYS A 54 -2.479 -7.826 -4.108 1.00 0.54 H new ATOM 0 HD2 LYS A 54 -1.899 -9.464 -5.863 1.00 0.60 H new ATOM 0 HD3 LYS A 54 -1.594 -10.689 -4.647 1.00 0.60 H new ATOM 0 HE2 LYS A 54 -3.975 -10.499 -3.891 1.00 0.64 H new ATOM 0 HE3 LYS A 54 -4.267 -9.324 -5.158 1.00 0.64 H new ATOM 0 HZ1 LYS A 54 -4.954 -11.530 -5.833 1.00 0.83 H new ATOM 0 HZ2 LYS A 54 -3.670 -10.998 -6.810 1.00 0.83 H new ATOM 0 HZ3 LYS A 54 -3.388 -12.136 -5.582 1.00 0.83 H new ATOM 559 N GLY A 55 2.375 -8.242 -2.601 1.00 0.56 N ATOM 560 CA GLY A 55 3.761 -7.820 -2.670 1.00 0.61 C ATOM 561 C GLY A 55 3.908 -6.321 -2.512 1.00 0.54 C ATOM 562 O GLY A 55 4.615 -5.672 -3.284 1.00 0.57 O ATOM 0 H GLY A 55 1.817 -7.760 -1.896 1.00 0.56 H new ATOM 0 HA2 GLY A 55 4.332 -8.324 -1.891 1.00 0.61 H new ATOM 0 HA3 GLY A 55 4.186 -8.127 -3.626 1.00 0.61 H new ATOM 566 N PHE A 56 3.236 -5.769 -1.507 1.00 0.50 N ATOM 567 CA PHE A 56 3.282 -4.335 -1.248 1.00 0.47 C ATOM 568 C PHE A 56 3.520 -4.048 0.226 1.00 0.42 C ATOM 569 O PHE A 56 2.944 -4.698 1.098 1.00 0.65 O ATOM 570 CB PHE A 56 1.977 -3.674 -1.689 1.00 0.66 C ATOM 571 CG PHE A 56 1.671 -3.870 -3.143 1.00 0.56 C ATOM 572 CD1 PHE A 56 2.246 -3.052 -4.098 1.00 0.61 C ATOM 573 CD2 PHE A 56 0.808 -4.872 -3.553 1.00 0.53 C ATOM 574 CE1 PHE A 56 1.967 -3.229 -5.438 1.00 0.58 C ATOM 575 CE2 PHE A 56 0.524 -5.055 -4.892 1.00 0.48 C ATOM 576 CZ PHE A 56 1.105 -4.232 -5.837 1.00 0.47 C ATOM 0 H PHE A 56 2.652 -6.295 -0.857 1.00 0.50 H new ATOM 0 HA PHE A 56 4.112 -3.923 -1.821 1.00 0.47 H new ATOM 0 HB2 PHE A 56 1.156 -4.076 -1.095 1.00 0.66 H new ATOM 0 HB3 PHE A 56 2.030 -2.606 -1.477 1.00 0.66 H new ATOM 0 HD1 PHE A 56 2.921 -2.266 -3.792 1.00 0.61 H new ATOM 0 HD2 PHE A 56 0.352 -5.518 -2.817 1.00 0.53 H new ATOM 0 HE1 PHE A 56 2.422 -2.584 -6.174 1.00 0.58 H new ATOM 0 HE2 PHE A 56 -0.151 -5.840 -5.200 1.00 0.48 H new ATOM 0 HZ PHE A 56 0.886 -4.372 -6.885 1.00 0.47 H new ATOM 586 N ARG A 57 4.366 -3.063 0.494 1.00 0.46 N ATOM 587 CA ARG A 57 4.682 -2.675 1.861 1.00 0.68 C ATOM 588 C ARG A 57 3.633 -1.709 2.403 1.00 0.79 C ATOM 589 O ARG A 57 3.387 -0.657 1.816 1.00 1.17 O ATOM 590 CB ARG A 57 6.068 -2.029 1.917 1.00 0.93 C ATOM 591 CG ARG A 57 6.323 -1.242 3.192 1.00 0.72 C ATOM 592 CD ARG A 57 7.711 -0.634 3.210 1.00 1.01 C ATOM 593 NE ARG A 57 7.953 0.108 4.442 1.00 1.72 N ATOM 594 CZ ARG A 57 9.046 -0.025 5.182 1.00 2.00 C ATOM 595 NH1 ARG A 57 10.024 -0.828 4.792 1.00 1.80 N ATOM 596 NH2 ARG A 57 9.167 0.655 6.312 1.00 3.00 N ATOM 0 H ARG A 57 4.847 -2.516 -0.220 1.00 0.46 H new ATOM 0 HA ARG A 57 4.681 -3.571 2.482 1.00 0.68 H new ATOM 0 HB2 ARG A 57 6.826 -2.807 1.823 1.00 0.93 H new ATOM 0 HB3 ARG A 57 6.185 -1.365 1.061 1.00 0.93 H new ATOM 0 HG2 ARG A 57 5.579 -0.451 3.286 1.00 0.72 H new ATOM 0 HG3 ARG A 57 6.202 -1.898 4.054 1.00 0.72 H new ATOM 0 HD2 ARG A 57 8.456 -1.423 3.107 1.00 1.01 H new ATOM 0 HD3 ARG A 57 7.829 0.031 2.354 1.00 1.01 H new ATOM 0 HE ARG A 57 7.240 0.768 4.753 1.00 1.72 H new ATOM 0 HH11 ARG A 57 9.939 -1.348 3.919 1.00 1.80 H new ATOM 0 HH12 ARG A 57 10.862 -0.926 5.365 1.00 1.80 H new ATOM 0 HH21 ARG A 57 8.420 1.281 6.613 1.00 3.00 H new ATOM 0 HH22 ARG A 57 10.007 0.553 6.881 1.00 3.00 H new ATOM 610 N VAL A 58 3.019 -2.073 3.524 1.00 0.67 N ATOM 611 CA VAL A 58 2.006 -1.229 4.144 1.00 0.69 C ATOM 612 C VAL A 58 2.647 -0.240 5.111 1.00 0.68 C ATOM 613 O VAL A 58 2.909 -0.566 6.270 1.00 0.73 O ATOM 614 CB VAL A 58 0.950 -2.065 4.893 1.00 0.76 C ATOM 615 CG1 VAL A 58 -0.111 -1.163 5.508 1.00 0.81 C ATOM 616 CG2 VAL A 58 0.315 -3.083 3.958 1.00 0.88 C ATOM 0 H VAL A 58 3.205 -2.945 4.020 1.00 0.67 H new ATOM 0 HA VAL A 58 1.509 -0.683 3.342 1.00 0.69 H new ATOM 0 HB VAL A 58 1.447 -2.604 5.700 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -0.847 -1.772 6.032 1.00 0.81 H new ATOM 0 HG12 VAL A 58 0.359 -0.476 6.212 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -0.605 -0.594 4.721 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -0.428 -3.664 4.504 1.00 0.88 H new ATOM 0 HG22 VAL A 58 -0.167 -2.565 3.129 1.00 0.88 H new ATOM 0 HG23 VAL A 58 1.085 -3.750 3.570 1.00 0.88 H new ATOM 626 N LEU A 59 2.902 0.968 4.621 1.00 0.70 N ATOM 627 CA LEU A 59 3.515 2.012 5.431 1.00 0.77 C ATOM 628 C LEU A 59 2.498 2.604 6.403 1.00 0.91 C ATOM 629 O LEU A 59 1.461 3.123 5.991 1.00 1.02 O ATOM 630 CB LEU A 59 4.080 3.112 4.522 1.00 0.74 C ATOM 631 CG LEU A 59 5.242 3.930 5.099 1.00 0.87 C ATOM 632 CD1 LEU A 59 4.789 4.745 6.299 1.00 1.13 C ATOM 633 CD2 LEU A 59 6.404 3.020 5.474 1.00 0.99 C ATOM 0 H LEU A 59 2.692 1.248 3.663 1.00 0.70 H new ATOM 0 HA LEU A 59 4.328 1.573 6.009 1.00 0.77 H new ATOM 0 HB2 LEU A 59 4.413 2.652 3.592 1.00 0.74 H new ATOM 0 HB3 LEU A 59 3.271 3.797 4.268 1.00 0.74 H new ATOM 0 HG LEU A 59 5.583 4.623 4.330 1.00 0.87 H new ATOM 0 HD11 LEU A 59 5.631 5.316 6.690 1.00 1.13 H new ATOM 0 HD12 LEU A 59 3.996 5.429 5.996 1.00 1.13 H new ATOM 0 HD13 LEU A 59 4.414 4.075 7.073 1.00 1.13 H new ATOM 0 HD21 LEU A 59 7.218 3.619 5.881 1.00 0.99 H new ATOM 0 HD22 LEU A 59 6.075 2.299 6.222 1.00 0.99 H new ATOM 0 HD23 LEU A 59 6.752 2.490 4.587 1.00 0.99 H new ATOM 645 N ASP A 60 2.799 2.520 7.696 1.00 1.06 N ATOM 646 CA ASP A 60 1.911 3.057 8.723 1.00 1.31 C ATOM 647 C ASP A 60 2.652 4.060 9.599 1.00 1.32 C ATOM 648 O ASP A 60 3.858 4.249 9.451 1.00 2.09 O ATOM 649 CB ASP A 60 1.334 1.929 9.582 1.00 1.89 C ATOM 650 CG ASP A 60 2.368 1.306 10.499 1.00 2.15 C ATOM 651 OD1 ASP A 60 3.208 0.528 10.004 1.00 2.89 O ATOM 652 OD2 ASP A 60 2.333 1.593 11.713 1.00 2.30 O ATOM 0 H ASP A 60 3.649 2.086 8.057 1.00 1.06 H new ATOM 0 HA ASP A 60 1.087 3.570 8.226 1.00 1.31 H new ATOM 0 HB2 ASP A 60 0.511 2.318 10.181 1.00 1.89 H new ATOM 0 HB3 ASP A 60 0.919 1.159 8.932 1.00 1.89 H new ATOM 657 N ALA A 61 1.920 4.703 10.507 1.00 1.32 N ATOM 658 CA ALA A 61 2.504 5.691 11.411 1.00 1.55 C ATOM 659 C ALA A 61 3.064 6.886 10.647 1.00 1.25 C ATOM 660 O ALA A 61 3.226 6.839 9.428 1.00 1.76 O ATOM 661 CB ALA A 61 3.587 5.050 12.268 1.00 2.66 C ATOM 0 H ALA A 61 0.919 4.557 10.636 1.00 1.32 H new ATOM 0 HA ALA A 61 1.710 6.058 12.062 1.00 1.55 H new ATOM 0 HB1 ALA A 61 4.013 5.799 12.936 1.00 2.66 H new ATOM 0 HB2 ALA A 61 3.154 4.242 12.857 1.00 2.66 H new ATOM 0 HB3 ALA A 61 4.371 4.650 11.625 1.00 2.66 H new ATOM 667 N CYS A 62 3.359 7.956 11.377 1.00 1.19 N ATOM 668 CA CYS A 62 3.893 9.175 10.779 1.00 1.18 C ATOM 669 C CYS A 62 5.327 8.976 10.293 1.00 1.18 C ATOM 670 O CYS A 62 6.283 9.339 10.979 1.00 1.66 O ATOM 671 CB CYS A 62 3.835 10.323 11.788 1.00 1.44 C ATOM 672 SG CYS A 62 4.507 9.912 13.415 1.00 2.09 S ATOM 0 H CYS A 62 3.237 8.004 12.389 1.00 1.19 H new ATOM 0 HA CYS A 62 3.277 9.423 9.914 1.00 1.18 H new ATOM 0 HB2 CYS A 62 4.383 11.174 11.385 1.00 1.44 H new ATOM 0 HB3 CYS A 62 2.798 10.638 11.904 1.00 1.44 H new ATOM 0 HG CYS A 62 5.681 9.372 13.276 1.00 2.09 H new ATOM 678 N SER A 63 5.467 8.401 9.103 1.00 1.03 N ATOM 679 CA SER A 63 6.781 8.155 8.517 1.00 1.07 C ATOM 680 C SER A 63 6.840 8.692 7.090 1.00 1.01 C ATOM 681 O SER A 63 5.975 8.392 6.267 1.00 1.03 O ATOM 682 CB SER A 63 7.098 6.659 8.533 1.00 1.23 C ATOM 683 OG SER A 63 8.374 6.401 7.977 1.00 1.76 O ATOM 0 H SER A 63 4.685 8.096 8.524 1.00 1.03 H new ATOM 0 HA SER A 63 7.528 8.678 9.114 1.00 1.07 H new ATOM 0 HB2 SER A 63 7.063 6.288 9.557 1.00 1.23 H new ATOM 0 HB3 SER A 63 6.337 6.117 7.971 1.00 1.23 H new ATOM 0 HG SER A 63 8.553 5.438 8.001 1.00 1.76 H new ATOM 689 N SER A 64 7.865 9.488 6.805 1.00 1.04 N ATOM 690 CA SER A 64 8.034 10.077 5.479 1.00 1.05 C ATOM 691 C SER A 64 8.578 9.060 4.484 1.00 0.99 C ATOM 692 O SER A 64 8.669 9.340 3.288 1.00 1.01 O ATOM 693 CB SER A 64 8.973 11.281 5.554 1.00 1.23 C ATOM 694 OG SER A 64 8.449 12.285 6.403 1.00 1.95 O ATOM 0 H SER A 64 8.592 9.741 7.474 1.00 1.04 H new ATOM 0 HA SER A 64 7.053 10.402 5.131 1.00 1.05 H new ATOM 0 HB2 SER A 64 9.949 10.963 5.921 1.00 1.23 H new ATOM 0 HB3 SER A 64 9.126 11.689 4.555 1.00 1.23 H new ATOM 0 HG SER A 64 9.172 12.880 6.691 1.00 1.95 H new ATOM 700 N GLU A 65 8.941 7.882 4.979 1.00 0.97 N ATOM 701 CA GLU A 65 9.479 6.831 4.124 1.00 0.96 C ATOM 702 C GLU A 65 8.448 6.391 3.087 1.00 0.83 C ATOM 703 O GLU A 65 8.783 5.717 2.112 1.00 0.86 O ATOM 704 CB GLU A 65 9.921 5.633 4.968 1.00 1.04 C ATOM 705 CG GLU A 65 10.768 4.630 4.202 1.00 1.17 C ATOM 706 CD GLU A 65 11.227 3.473 5.066 1.00 1.41 C ATOM 707 OE1 GLU A 65 12.168 3.665 5.865 1.00 1.70 O ATOM 708 OE2 GLU A 65 10.647 2.377 4.944 1.00 1.51 O ATOM 0 H GLU A 65 8.873 7.631 5.965 1.00 0.97 H new ATOM 0 HA GLU A 65 10.345 7.232 3.598 1.00 0.96 H new ATOM 0 HB2 GLU A 65 10.487 5.993 5.827 1.00 1.04 H new ATOM 0 HB3 GLU A 65 9.037 5.128 5.358 1.00 1.04 H new ATOM 0 HG2 GLU A 65 10.194 4.244 3.360 1.00 1.17 H new ATOM 0 HG3 GLU A 65 11.639 5.137 3.788 1.00 1.17 H new ATOM 715 N ALA A 66 7.193 6.776 3.303 1.00 0.78 N ATOM 716 CA ALA A 66 6.117 6.425 2.385 1.00 0.71 C ATOM 717 C ALA A 66 6.353 7.040 1.010 1.00 0.66 C ATOM 718 O ALA A 66 6.918 8.128 0.899 1.00 0.90 O ATOM 719 CB ALA A 66 4.774 6.871 2.944 1.00 0.80 C ATOM 0 H ALA A 66 6.898 7.331 4.106 1.00 0.78 H new ATOM 0 HA ALA A 66 6.105 5.341 2.275 1.00 0.71 H new ATOM 0 HB1 ALA A 66 3.982 6.601 2.246 1.00 0.80 H new ATOM 0 HB2 ALA A 66 4.597 6.380 3.901 1.00 0.80 H new ATOM 0 HB3 ALA A 66 4.780 7.952 3.086 1.00 0.80 H new ATOM 725 N THR A 67 5.924 6.335 -0.032 1.00 0.57 N ATOM 726 CA THR A 67 6.092 6.814 -1.399 1.00 0.51 C ATOM 727 C THR A 67 4.792 6.694 -2.189 1.00 0.41 C ATOM 728 O THR A 67 4.772 6.890 -3.404 1.00 0.55 O ATOM 729 CB THR A 67 7.204 6.040 -2.133 1.00 0.62 C ATOM 730 OG1 THR A 67 7.376 6.561 -3.457 1.00 0.67 O ATOM 731 CG2 THR A 67 6.874 4.555 -2.208 1.00 0.70 C ATOM 0 H THR A 67 5.458 5.431 0.044 1.00 0.57 H new ATOM 0 HA THR A 67 6.376 7.864 -1.334 1.00 0.51 H new ATOM 0 HB THR A 67 8.130 6.164 -1.571 1.00 0.62 H new ATOM 0 HG1 THR A 67 6.498 6.707 -3.868 1.00 0.67 H new ATOM 0 HG21 THR A 67 7.674 4.030 -2.731 1.00 0.70 H new ATOM 0 HG22 THR A 67 6.775 4.153 -1.200 1.00 0.70 H new ATOM 0 HG23 THR A 67 5.937 4.417 -2.748 1.00 0.70 H new ATOM 739 N HIS A 68 3.707 6.373 -1.491 1.00 0.50 N ATOM 740 CA HIS A 68 2.403 6.225 -2.127 1.00 0.42 C ATOM 741 C HIS A 68 1.274 6.538 -1.150 1.00 0.44 C ATOM 742 O HIS A 68 0.939 5.720 -0.293 1.00 0.61 O ATOM 743 CB HIS A 68 2.235 4.809 -2.679 1.00 0.51 C ATOM 744 CG HIS A 68 2.806 4.629 -4.051 1.00 0.50 C ATOM 745 ND1 HIS A 68 3.991 3.968 -4.295 1.00 1.34 N ATOM 746 CD2 HIS A 68 2.346 5.028 -5.259 1.00 1.05 C ATOM 747 CE1 HIS A 68 4.234 3.967 -5.593 1.00 1.10 C ATOM 748 NE2 HIS A 68 3.250 4.604 -6.200 1.00 0.72 N ATOM 0 H HIS A 68 3.705 6.210 -0.484 1.00 0.50 H new ATOM 0 HA HIS A 68 2.352 6.938 -2.950 1.00 0.42 H new ATOM 0 HB2 HIS A 68 2.714 4.104 -2.000 1.00 0.51 H new ATOM 0 HB3 HIS A 68 1.174 4.560 -2.701 1.00 0.51 H new ATOM 0 HD2 HIS A 68 1.436 5.578 -5.448 1.00 1.05 H new ATOM 0 HE1 HIS A 68 5.091 3.521 -6.075 1.00 1.10 H new ATOM 0 HE2 HIS A 68 3.174 4.756 -7.206 1.00 0.72 H new ATOM 757 N VAL A 69 0.692 7.725 -1.287 1.00 0.37 N ATOM 758 CA VAL A 69 -0.404 8.145 -0.420 1.00 0.36 C ATOM 759 C VAL A 69 -1.749 7.934 -1.103 1.00 0.34 C ATOM 760 O VAL A 69 -2.159 8.727 -1.950 1.00 0.43 O ATOM 761 CB VAL A 69 -0.272 9.625 -0.018 1.00 0.41 C ATOM 762 CG1 VAL A 69 -1.426 10.041 0.882 1.00 0.49 C ATOM 763 CG2 VAL A 69 1.060 9.871 0.670 1.00 0.43 C ATOM 0 H VAL A 69 0.961 8.413 -1.990 1.00 0.37 H new ATOM 0 HA VAL A 69 -0.351 7.530 0.478 1.00 0.36 H new ATOM 0 HB VAL A 69 -0.310 10.232 -0.922 1.00 0.41 H new ATOM 0 HG11 VAL A 69 -1.314 11.090 1.155 1.00 0.49 H new ATOM 0 HG12 VAL A 69 -2.369 9.902 0.353 1.00 0.49 H new ATOM 0 HG13 VAL A 69 -1.423 9.429 1.784 1.00 0.49 H new ATOM 0 HG21 VAL A 69 1.137 10.922 0.948 1.00 0.43 H new ATOM 0 HG22 VAL A 69 1.127 9.253 1.566 1.00 0.43 H new ATOM 0 HG23 VAL A 69 1.873 9.614 -0.009 1.00 0.43 H new ATOM 773 N VAL A 70 -2.433 6.861 -0.724 1.00 0.35 N ATOM 774 CA VAL A 70 -3.734 6.535 -1.295 1.00 0.36 C ATOM 775 C VAL A 70 -4.851 6.757 -0.279 1.00 0.39 C ATOM 776 O VAL A 70 -4.739 6.354 0.878 1.00 0.65 O ATOM 777 CB VAL A 70 -3.779 5.073 -1.773 1.00 0.46 C ATOM 778 CG1 VAL A 70 -2.991 4.904 -3.061 1.00 0.90 C ATOM 779 CG2 VAL A 70 -3.245 4.148 -0.697 1.00 0.69 C ATOM 0 H VAL A 70 -2.106 6.199 -0.020 1.00 0.35 H new ATOM 0 HA VAL A 70 -3.884 7.198 -2.147 1.00 0.36 H new ATOM 0 HB VAL A 70 -4.818 4.809 -1.972 1.00 0.46 H new ATOM 0 HG11 VAL A 70 -3.036 3.863 -3.381 1.00 0.90 H new ATOM 0 HG12 VAL A 70 -3.419 5.541 -3.835 1.00 0.90 H new ATOM 0 HG13 VAL A 70 -1.952 5.187 -2.892 1.00 0.90 H new ATOM 0 HG21 VAL A 70 -3.284 3.118 -1.051 1.00 0.69 H new ATOM 0 HG22 VAL A 70 -2.213 4.414 -0.467 1.00 0.69 H new ATOM 0 HG23 VAL A 70 -3.854 4.246 0.202 1.00 0.69 H new ATOM 789 N MET A 71 -5.928 7.403 -0.717 1.00 0.35 N ATOM 790 CA MET A 71 -7.061 7.671 0.162 1.00 0.34 C ATOM 791 C MET A 71 -8.390 7.434 -0.552 1.00 0.30 C ATOM 792 O MET A 71 -8.487 7.550 -1.774 1.00 0.37 O ATOM 793 CB MET A 71 -6.992 9.097 0.711 1.00 0.45 C ATOM 794 CG MET A 71 -6.573 10.137 -0.313 1.00 1.06 C ATOM 795 SD MET A 71 -5.825 11.593 0.444 1.00 1.38 S ATOM 796 CE MET A 71 -7.008 11.968 1.736 1.00 1.68 C ATOM 0 H MET A 71 -6.040 7.749 -1.670 1.00 0.35 H new ATOM 0 HA MET A 71 -7.004 6.974 0.998 1.00 0.34 H new ATOM 0 HB2 MET A 71 -7.969 9.369 1.110 1.00 0.45 H new ATOM 0 HB3 MET A 71 -6.290 9.120 1.544 1.00 0.45 H new ATOM 0 HG2 MET A 71 -5.864 9.690 -1.010 1.00 1.06 H new ATOM 0 HG3 MET A 71 -7.444 10.441 -0.894 1.00 1.06 H new ATOM 0 HE1 MET A 71 -7.437 12.954 1.561 1.00 1.68 H new ATOM 0 HE2 MET A 71 -7.801 11.221 1.731 1.00 1.68 H new ATOM 0 HE3 MET A 71 -6.506 11.957 2.703 1.00 1.68 H new ATOM 806 N GLU A 72 -9.410 7.097 0.233 1.00 0.33 N ATOM 807 CA GLU A 72 -10.745 6.814 -0.289 1.00 0.39 C ATOM 808 C GLU A 72 -11.632 8.058 -0.271 1.00 0.41 C ATOM 809 O GLU A 72 -11.567 8.864 0.658 1.00 0.49 O ATOM 810 CB GLU A 72 -11.388 5.699 0.545 1.00 0.56 C ATOM 811 CG GLU A 72 -12.868 5.486 0.275 1.00 1.10 C ATOM 812 CD GLU A 72 -13.137 4.906 -1.098 1.00 1.59 C ATOM 813 OE1 GLU A 72 -13.075 3.668 -1.239 1.00 1.94 O ATOM 814 OE2 GLU A 72 -13.413 5.689 -2.029 1.00 2.28 O ATOM 0 H GLU A 72 -9.335 7.012 1.247 1.00 0.33 H new ATOM 0 HA GLU A 72 -10.647 6.495 -1.327 1.00 0.39 H new ATOM 0 HB2 GLU A 72 -10.858 4.766 0.352 1.00 0.56 H new ATOM 0 HB3 GLU A 72 -11.254 5.929 1.602 1.00 0.56 H new ATOM 0 HG2 GLU A 72 -13.278 4.819 1.033 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -13.391 6.438 0.371 1.00 1.10 H new ATOM 821 N GLU A 73 -12.461 8.196 -1.305 1.00 0.51 N ATOM 822 CA GLU A 73 -13.380 9.329 -1.423 1.00 0.68 C ATOM 823 C GLU A 73 -12.668 10.652 -1.168 1.00 0.66 C ATOM 824 O GLU A 73 -13.025 11.397 -0.254 1.00 0.81 O ATOM 825 CB GLU A 73 -14.547 9.165 -0.447 1.00 0.87 C ATOM 826 CG GLU A 73 -15.397 7.934 -0.721 1.00 1.08 C ATOM 827 CD GLU A 73 -16.458 7.710 0.338 1.00 1.30 C ATOM 828 OE1 GLU A 73 -16.094 7.336 1.473 1.00 1.74 O ATOM 829 OE2 GLU A 73 -17.653 7.907 0.034 1.00 1.54 O ATOM 0 H GLU A 73 -12.515 7.533 -2.078 1.00 0.51 H new ATOM 0 HA GLU A 73 -13.763 9.344 -2.443 1.00 0.68 H new ATOM 0 HB2 GLU A 73 -14.156 9.108 0.569 1.00 0.87 H new ATOM 0 HB3 GLU A 73 -15.179 10.052 -0.496 1.00 0.87 H new ATOM 0 HG2 GLU A 73 -15.877 8.038 -1.694 1.00 1.08 H new ATOM 0 HG3 GLU A 73 -14.752 7.057 -0.775 1.00 1.08 H new ATOM 836 N THR A 74 -11.661 10.941 -1.984 1.00 0.57 N ATOM 837 CA THR A 74 -10.897 12.171 -1.842 1.00 0.56 C ATOM 838 C THR A 74 -10.659 12.837 -3.191 1.00 0.56 C ATOM 839 O THR A 74 -10.227 12.191 -4.146 1.00 0.75 O ATOM 840 CB THR A 74 -9.537 11.903 -1.172 1.00 0.77 C ATOM 841 OG1 THR A 74 -9.733 11.254 0.090 1.00 1.11 O ATOM 842 CG2 THR A 74 -8.770 13.200 -0.965 1.00 0.63 C ATOM 0 H THR A 74 -11.356 10.340 -2.750 1.00 0.57 H new ATOM 0 HA THR A 74 -11.487 12.838 -1.214 1.00 0.56 H new ATOM 0 HB THR A 74 -8.955 11.256 -1.828 1.00 0.77 H new ATOM 0 HG1 THR A 74 -9.578 10.291 -0.010 1.00 1.11 H new ATOM 0 HG21 THR A 74 -7.813 12.985 -0.490 1.00 0.63 H new ATOM 0 HG22 THR A 74 -8.598 13.679 -1.929 1.00 0.63 H new ATOM 0 HG23 THR A 74 -9.349 13.867 -0.327 1.00 0.63 H new ATOM 850 N SER A 75 -10.944 14.133 -3.260 1.00 0.55 N ATOM 851 CA SER A 75 -10.752 14.892 -4.488 1.00 0.63 C ATOM 852 C SER A 75 -9.318 15.400 -4.580 1.00 0.53 C ATOM 853 O SER A 75 -8.473 15.051 -3.755 1.00 0.52 O ATOM 854 CB SER A 75 -11.733 16.065 -4.551 1.00 0.76 C ATOM 855 OG SER A 75 -13.075 15.610 -4.577 1.00 1.31 O ATOM 0 H SER A 75 -11.309 14.679 -2.479 1.00 0.55 H new ATOM 0 HA SER A 75 -10.944 14.232 -5.334 1.00 0.63 H new ATOM 0 HB2 SER A 75 -11.583 16.715 -3.689 1.00 0.76 H new ATOM 0 HB3 SER A 75 -11.532 16.663 -5.440 1.00 0.76 H new ATOM 0 HG SER A 75 -13.681 16.380 -4.615 1.00 1.31 H new ATOM 861 N ALA A 76 -9.050 16.227 -5.584 1.00 0.52 N ATOM 862 CA ALA A 76 -7.716 16.775 -5.788 1.00 0.49 C ATOM 863 C ALA A 76 -7.259 17.604 -4.591 1.00 0.40 C ATOM 864 O ALA A 76 -6.402 17.170 -3.820 1.00 0.41 O ATOM 865 CB ALA A 76 -7.680 17.611 -7.057 1.00 0.57 C ATOM 0 H ALA A 76 -9.740 16.533 -6.270 1.00 0.52 H new ATOM 0 HA ALA A 76 -7.025 15.939 -5.892 1.00 0.49 H new ATOM 0 HB1 ALA A 76 -6.678 18.015 -7.198 1.00 0.57 H new ATOM 0 HB2 ALA A 76 -7.944 16.987 -7.911 1.00 0.57 H new ATOM 0 HB3 ALA A 76 -8.393 18.431 -6.973 1.00 0.57 H new ATOM 871 N GLU A 77 -7.836 18.795 -4.435 1.00 0.42 N ATOM 872 CA GLU A 77 -7.470 19.684 -3.335 1.00 0.44 C ATOM 873 C GLU A 77 -7.688 19.014 -1.982 1.00 0.38 C ATOM 874 O GLU A 77 -7.065 19.389 -0.989 1.00 0.39 O ATOM 875 CB GLU A 77 -8.257 20.997 -3.407 1.00 0.61 C ATOM 876 CG GLU A 77 -9.751 20.845 -3.170 1.00 1.06 C ATOM 877 CD GLU A 77 -10.459 20.154 -4.317 1.00 1.33 C ATOM 878 OE1 GLU A 77 -10.282 20.589 -5.474 1.00 1.80 O ATOM 879 OE2 GLU A 77 -11.191 19.178 -4.059 1.00 1.91 O ATOM 0 H GLU A 77 -8.557 19.165 -5.055 1.00 0.42 H new ATOM 0 HA GLU A 77 -6.408 19.908 -3.437 1.00 0.44 H new ATOM 0 HB2 GLU A 77 -7.853 21.690 -2.669 1.00 0.61 H new ATOM 0 HB3 GLU A 77 -8.100 21.447 -4.387 1.00 0.61 H new ATOM 0 HG2 GLU A 77 -9.913 20.277 -2.254 1.00 1.06 H new ATOM 0 HG3 GLU A 77 -10.192 21.830 -3.017 1.00 1.06 H new ATOM 886 N GLU A 78 -8.573 18.022 -1.946 1.00 0.41 N ATOM 887 CA GLU A 78 -8.858 17.302 -0.710 1.00 0.43 C ATOM 888 C GLU A 78 -7.622 16.543 -0.236 1.00 0.38 C ATOM 889 O GLU A 78 -7.320 16.512 0.958 1.00 0.40 O ATOM 890 CB GLU A 78 -10.027 16.336 -0.911 1.00 0.51 C ATOM 891 CG GLU A 78 -11.377 17.025 -1.024 1.00 0.59 C ATOM 892 CD GLU A 78 -11.783 17.728 0.256 1.00 1.23 C ATOM 893 OE1 GLU A 78 -12.317 17.051 1.160 1.00 1.95 O ATOM 894 OE2 GLU A 78 -11.569 18.954 0.354 1.00 1.38 O ATOM 0 H GLU A 78 -9.103 17.700 -2.756 1.00 0.41 H new ATOM 0 HA GLU A 78 -9.134 18.029 0.054 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -9.851 15.750 -1.813 1.00 0.51 H new ATOM 0 HB3 GLU A 78 -10.055 15.635 -0.076 1.00 0.51 H new ATOM 0 HG2 GLU A 78 -11.343 17.750 -1.837 1.00 0.59 H new ATOM 0 HG3 GLU A 78 -12.136 16.288 -1.285 1.00 0.59 H new ATOM 901 N ALA A 79 -6.911 15.933 -1.180 1.00 0.34 N ATOM 902 CA ALA A 79 -5.702 15.181 -0.861 1.00 0.32 C ATOM 903 C ALA A 79 -4.505 16.115 -0.738 1.00 0.33 C ATOM 904 O ALA A 79 -3.580 15.857 0.033 1.00 0.38 O ATOM 905 CB ALA A 79 -5.440 14.119 -1.917 1.00 0.32 C ATOM 0 H ALA A 79 -7.151 15.945 -2.171 1.00 0.34 H new ATOM 0 HA ALA A 79 -5.851 14.685 0.098 1.00 0.32 H new ATOM 0 HB1 ALA A 79 -4.534 13.568 -1.662 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -6.284 13.430 -1.958 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -5.313 14.596 -2.889 1.00 0.32 H new ATOM 911 N VAL A 80 -4.528 17.201 -1.509 1.00 0.33 N ATOM 912 CA VAL A 80 -3.450 18.182 -1.476 1.00 0.39 C ATOM 913 C VAL A 80 -3.347 18.806 -0.090 1.00 0.45 C ATOM 914 O VAL A 80 -2.253 18.955 0.454 1.00 0.52 O ATOM 915 CB VAL A 80 -3.660 19.291 -2.528 1.00 0.43 C ATOM 916 CG1 VAL A 80 -2.631 20.401 -2.359 1.00 0.50 C ATOM 917 CG2 VAL A 80 -3.592 18.712 -3.933 1.00 0.44 C ATOM 0 H VAL A 80 -5.280 17.422 -2.162 1.00 0.33 H new ATOM 0 HA VAL A 80 -2.523 17.659 -1.712 1.00 0.39 H new ATOM 0 HB VAL A 80 -4.651 19.720 -2.377 1.00 0.43 H new ATOM 0 HG11 VAL A 80 -2.799 21.171 -3.112 1.00 0.50 H new ATOM 0 HG12 VAL A 80 -2.727 20.838 -1.365 1.00 0.50 H new ATOM 0 HG13 VAL A 80 -1.629 19.989 -2.479 1.00 0.50 H new ATOM 0 HG21 VAL A 80 -3.742 19.508 -4.662 1.00 0.44 H new ATOM 0 HG22 VAL A 80 -2.615 18.255 -4.091 1.00 0.44 H new ATOM 0 HG23 VAL A 80 -4.370 17.958 -4.054 1.00 0.44 H new ATOM 927 N SER A 81 -4.496 19.170 0.472 1.00 0.46 N ATOM 928 CA SER A 81 -4.539 19.756 1.804 1.00 0.55 C ATOM 929 C SER A 81 -3.972 18.765 2.810 1.00 0.53 C ATOM 930 O SER A 81 -3.285 19.145 3.760 1.00 0.59 O ATOM 931 CB SER A 81 -5.974 20.127 2.179 1.00 0.59 C ATOM 932 OG SER A 81 -6.027 20.724 3.462 1.00 1.03 O ATOM 0 H SER A 81 -5.407 19.069 0.025 1.00 0.46 H new ATOM 0 HA SER A 81 -3.938 20.665 1.814 1.00 0.55 H new ATOM 0 HB2 SER A 81 -6.381 20.814 1.437 1.00 0.59 H new ATOM 0 HB3 SER A 81 -6.600 19.235 2.164 1.00 0.59 H new ATOM 0 HG SER A 81 -6.955 20.953 3.678 1.00 1.03 H new ATOM 938 N TRP A 82 -4.268 17.488 2.586 1.00 0.46 N ATOM 939 CA TRP A 82 -3.775 16.425 3.448 1.00 0.47 C ATOM 940 C TRP A 82 -2.259 16.317 3.321 1.00 0.48 C ATOM 941 O TRP A 82 -1.563 16.041 4.298 1.00 0.52 O ATOM 942 CB TRP A 82 -4.446 15.094 3.083 1.00 0.46 C ATOM 943 CG TRP A 82 -3.618 13.891 3.418 1.00 0.42 C ATOM 944 CD1 TRP A 82 -3.005 13.052 2.533 1.00 0.42 C ATOM 945 CD2 TRP A 82 -3.303 13.396 4.725 1.00 0.42 C ATOM 946 NE1 TRP A 82 -2.329 12.067 3.209 1.00 0.41 N ATOM 947 CE2 TRP A 82 -2.496 12.256 4.554 1.00 0.40 C ATOM 948 CE3 TRP A 82 -3.623 13.807 6.024 1.00 0.46 C ATOM 949 CZ2 TRP A 82 -2.006 11.523 5.631 1.00 0.41 C ATOM 950 CZ3 TRP A 82 -3.135 13.076 7.092 1.00 0.46 C ATOM 951 CH2 TRP A 82 -2.332 11.946 6.889 1.00 0.43 C ATOM 0 H TRP A 82 -4.849 17.166 1.812 1.00 0.46 H new ATOM 0 HA TRP A 82 -4.022 16.660 4.483 1.00 0.47 H new ATOM 0 HB2 TRP A 82 -5.401 15.024 3.604 1.00 0.46 H new ATOM 0 HB3 TRP A 82 -4.664 15.088 2.015 1.00 0.46 H new ATOM 0 HD1 TRP A 82 -3.046 13.149 1.458 1.00 0.42 H new ATOM 0 HE1 TRP A 82 -1.790 11.316 2.779 1.00 0.41 H new ATOM 0 HE3 TRP A 82 -4.239 14.678 6.189 1.00 0.46 H new ATOM 0 HZ2 TRP A 82 -1.389 10.650 5.478 1.00 0.41 H new ATOM 0 HZ3 TRP A 82 -3.377 13.381 8.099 1.00 0.46 H new ATOM 0 HH2 TRP A 82 -1.963 11.398 7.744 1.00 0.43 H new ATOM 962 N GLN A 83 -1.758 16.540 2.107 1.00 0.49 N ATOM 963 CA GLN A 83 -0.325 16.486 1.854 1.00 0.55 C ATOM 964 C GLN A 83 0.383 17.553 2.672 1.00 0.60 C ATOM 965 O GLN A 83 1.452 17.319 3.233 1.00 0.61 O ATOM 966 CB GLN A 83 -0.031 16.688 0.365 1.00 0.64 C ATOM 967 CG GLN A 83 1.451 16.641 0.028 1.00 0.84 C ATOM 968 CD GLN A 83 1.727 16.903 -1.441 1.00 1.04 C ATOM 969 OE1 GLN A 83 2.691 16.382 -2.003 1.00 1.48 O ATOM 970 NE2 GLN A 83 0.889 17.720 -2.070 1.00 0.98 N ATOM 0 H GLN A 83 -2.324 16.759 1.287 1.00 0.49 H new ATOM 0 HA GLN A 83 0.043 15.503 2.148 1.00 0.55 H new ATOM 0 HB2 GLN A 83 -0.550 15.919 -0.207 1.00 0.64 H new ATOM 0 HB3 GLN A 83 -0.437 17.649 0.050 1.00 0.64 H new ATOM 0 HG2 GLN A 83 1.980 17.380 0.630 1.00 0.84 H new ATOM 0 HG3 GLN A 83 1.850 15.664 0.300 1.00 0.84 H new ATOM 0 HE21 GLN A 83 0.103 18.130 -1.567 1.00 0.98 H new ATOM 0 HE22 GLN A 83 1.032 17.937 -3.056 1.00 0.98 H new ATOM 979 N GLU A 84 -0.229 18.733 2.731 1.00 0.68 N ATOM 980 CA GLU A 84 0.320 19.846 3.491 1.00 0.78 C ATOM 981 C GLU A 84 0.362 19.497 4.972 1.00 0.82 C ATOM 982 O GLU A 84 1.307 19.846 5.680 1.00 0.95 O ATOM 983 CB GLU A 84 -0.525 21.102 3.271 1.00 0.86 C ATOM 984 CG GLU A 84 -0.456 21.642 1.852 1.00 0.94 C ATOM 985 CD GLU A 84 0.915 22.189 1.504 1.00 1.25 C ATOM 986 OE1 GLU A 84 1.203 23.346 1.875 1.00 1.47 O ATOM 987 OE2 GLU A 84 1.699 21.460 0.862 1.00 1.61 O ATOM 0 H GLU A 84 -1.109 18.941 2.259 1.00 0.68 H new ATOM 0 HA GLU A 84 1.335 20.041 3.146 1.00 0.78 H new ATOM 0 HB2 GLU A 84 -1.563 20.878 3.515 1.00 0.86 H new ATOM 0 HB3 GLU A 84 -0.195 21.877 3.962 1.00 0.86 H new ATOM 0 HG2 GLU A 84 -0.715 20.848 1.152 1.00 0.94 H new ATOM 0 HG3 GLU A 84 -1.199 22.430 1.730 1.00 0.94 H new ATOM 994 N ARG A 85 -0.675 18.803 5.432 1.00 0.77 N ATOM 995 CA ARG A 85 -0.765 18.387 6.826 1.00 0.87 C ATOM 996 C ARG A 85 0.315 17.360 7.140 1.00 0.80 C ATOM 997 O ARG A 85 0.864 17.332 8.242 1.00 0.93 O ATOM 998 CB ARG A 85 -2.148 17.795 7.112 1.00 0.96 C ATOM 999 CG ARG A 85 -2.339 17.375 8.559 1.00 1.23 C ATOM 1000 CD ARG A 85 -2.677 18.560 9.446 1.00 1.45 C ATOM 1001 NE ARG A 85 -4.099 18.889 9.400 1.00 2.09 N ATOM 1002 CZ ARG A 85 -4.824 19.168 10.480 1.00 2.42 C ATOM 1003 NH1 ARG A 85 -4.256 19.184 11.678 1.00 2.45 N ATOM 1004 NH2 ARG A 85 -6.117 19.434 10.361 1.00 3.26 N ATOM 0 H ARG A 85 -1.467 18.517 4.856 1.00 0.77 H new ATOM 0 HA ARG A 85 -0.616 19.261 7.461 1.00 0.87 H new ATOM 0 HB2 ARG A 85 -2.910 18.530 6.851 1.00 0.96 H new ATOM 0 HB3 ARG A 85 -2.305 16.930 6.467 1.00 0.96 H new ATOM 0 HG2 ARG A 85 -3.136 16.634 8.621 1.00 1.23 H new ATOM 0 HG3 ARG A 85 -1.430 16.896 8.922 1.00 1.23 H new ATOM 0 HD2 ARG A 85 -2.389 18.338 10.474 1.00 1.45 H new ATOM 0 HD3 ARG A 85 -2.094 19.426 9.132 1.00 1.45 H new ATOM 0 HE ARG A 85 -4.561 18.906 8.491 1.00 2.09 H new ATOM 0 HH11 ARG A 85 -3.261 18.982 11.773 1.00 2.45 H new ATOM 0 HH12 ARG A 85 -4.814 19.398 12.504 1.00 2.45 H new ATOM 0 HH21 ARG A 85 -6.557 19.425 9.441 1.00 3.26 H new ATOM 0 HH22 ARG A 85 -6.672 19.648 11.190 1.00 3.26 H new ATOM 1018 N ARG A 86 0.612 16.514 6.160 1.00 0.71 N ATOM 1019 CA ARG A 86 1.628 15.484 6.320 1.00 0.80 C ATOM 1020 C ARG A 86 3.020 16.103 6.387 1.00 0.75 C ATOM 1021 O ARG A 86 3.829 15.745 7.243 1.00 0.78 O ATOM 1022 CB ARG A 86 1.557 14.489 5.163 1.00 0.96 C ATOM 1023 CG ARG A 86 1.293 13.062 5.608 1.00 1.18 C ATOM 1024 CD ARG A 86 1.591 12.076 4.497 1.00 1.04 C ATOM 1025 NE ARG A 86 2.963 12.207 4.015 1.00 1.92 N ATOM 1026 CZ ARG A 86 3.863 11.235 4.082 1.00 2.68 C ATOM 1027 NH1 ARG A 86 3.535 10.057 4.591 1.00 2.91 N ATOM 1028 NH2 ARG A 86 5.093 11.441 3.639 1.00 3.72 N ATOM 0 H ARG A 86 0.162 16.523 5.245 1.00 0.71 H new ATOM 0 HA ARG A 86 1.437 14.959 7.256 1.00 0.80 H new ATOM 0 HB2 ARG A 86 0.770 14.799 4.476 1.00 0.96 H new ATOM 0 HB3 ARG A 86 2.495 14.521 4.609 1.00 0.96 H new ATOM 0 HG2 ARG A 86 1.908 12.830 6.478 1.00 1.18 H new ATOM 0 HG3 ARG A 86 0.253 12.962 5.917 1.00 1.18 H new ATOM 0 HD2 ARG A 86 1.427 11.061 4.857 1.00 1.04 H new ATOM 0 HD3 ARG A 86 0.898 12.237 3.671 1.00 1.04 H new ATOM 0 HE ARG A 86 3.245 13.097 3.603 1.00 1.92 H new ATOM 0 HH11 ARG A 86 2.588 9.895 4.933 1.00 2.91 H new ATOM 0 HH12 ARG A 86 4.230 9.312 4.641 1.00 2.91 H new ATOM 0 HH21 ARG A 86 5.349 12.347 3.246 1.00 3.72 H new ATOM 0 HH22 ARG A 86 5.785 10.694 3.690 1.00 3.72 H new ATOM 1042 N MET A 87 3.289 17.033 5.476 1.00 0.77 N ATOM 1043 CA MET A 87 4.579 17.710 5.433 1.00 0.89 C ATOM 1044 C MET A 87 4.784 18.545 6.690 1.00 0.93 C ATOM 1045 O MET A 87 5.912 18.745 7.137 1.00 1.01 O ATOM 1046 CB MET A 87 4.676 18.603 4.193 1.00 1.11 C ATOM 1047 CG MET A 87 4.555 17.848 2.878 1.00 1.21 C ATOM 1048 SD MET A 87 6.142 17.247 2.263 1.00 1.69 S ATOM 1049 CE MET A 87 6.419 15.822 3.313 1.00 1.11 C ATOM 0 H MET A 87 2.630 17.335 4.758 1.00 0.77 H new ATOM 0 HA MET A 87 5.360 16.952 5.382 1.00 0.89 H new ATOM 0 HB2 MET A 87 3.892 19.359 4.240 1.00 1.11 H new ATOM 0 HB3 MET A 87 5.630 19.131 4.211 1.00 1.11 H new ATOM 0 HG2 MET A 87 3.879 17.003 3.011 1.00 1.21 H new ATOM 0 HG3 MET A 87 4.105 18.501 2.130 1.00 1.21 H new ATOM 0 HE1 MET A 87 6.924 15.042 2.742 1.00 1.11 H new ATOM 0 HE2 MET A 87 7.040 16.110 4.161 1.00 1.11 H new ATOM 0 HE3 MET A 87 5.462 15.445 3.675 1.00 1.11 H new ATOM 1059 N ALA A 88 3.683 19.030 7.255 1.00 0.97 N ATOM 1060 CA ALA A 88 3.736 19.838 8.467 1.00 1.13 C ATOM 1061 C ALA A 88 4.224 19.007 9.647 1.00 1.14 C ATOM 1062 O ALA A 88 4.818 19.532 10.587 1.00 1.29 O ATOM 1063 CB ALA A 88 2.369 20.435 8.767 1.00 1.32 C ATOM 0 H ALA A 88 2.742 18.877 6.892 1.00 0.97 H new ATOM 0 HA ALA A 88 4.443 20.652 8.306 1.00 1.13 H new ATOM 0 HB1 ALA A 88 2.426 21.035 9.675 1.00 1.32 H new ATOM 0 HB2 ALA A 88 2.056 21.065 7.934 1.00 1.32 H new ATOM 0 HB3 ALA A 88 1.644 19.633 8.907 1.00 1.32 H new ATOM 1069 N ALA A 89 3.965 17.703 9.588 1.00 1.05 N ATOM 1070 CA ALA A 89 4.381 16.791 10.645 1.00 1.18 C ATOM 1071 C ALA A 89 5.790 16.272 10.386 1.00 1.20 C ATOM 1072 O ALA A 89 6.460 15.782 11.294 1.00 1.45 O ATOM 1073 CB ALA A 89 3.400 15.634 10.762 1.00 1.25 C ATOM 0 H ALA A 89 3.468 17.256 8.818 1.00 1.05 H new ATOM 0 HA ALA A 89 4.388 17.338 11.588 1.00 1.18 H new ATOM 0 HB1 ALA A 89 3.724 14.961 11.556 1.00 1.25 H new ATOM 0 HB2 ALA A 89 2.408 16.020 10.996 1.00 1.25 H new ATOM 0 HB3 ALA A 89 3.364 15.091 9.818 1.00 1.25 H new ATOM 1079 N ALA A 90 6.230 16.384 9.137 1.00 1.01 N ATOM 1080 CA ALA A 90 7.559 15.929 8.747 1.00 1.10 C ATOM 1081 C ALA A 90 8.548 17.095 8.714 1.00 1.12 C ATOM 1082 O ALA A 90 8.161 18.236 8.463 1.00 1.00 O ATOM 1083 CB ALA A 90 7.500 15.247 7.388 1.00 1.05 C ATOM 0 H ALA A 90 5.684 16.787 8.376 1.00 1.01 H new ATOM 0 HA ALA A 90 7.907 15.211 9.489 1.00 1.10 H new ATOM 0 HB1 ALA A 90 8.498 14.911 7.106 1.00 1.05 H new ATOM 0 HB2 ALA A 90 6.829 14.389 7.440 1.00 1.05 H new ATOM 0 HB3 ALA A 90 7.130 15.952 6.643 1.00 1.05 H new ATOM 1089 N PRO A 91 9.845 16.826 8.972 1.00 1.40 N ATOM 1090 CA PRO A 91 10.879 17.866 8.966 1.00 1.57 C ATOM 1091 C PRO A 91 10.986 18.563 7.609 1.00 1.45 C ATOM 1092 O PRO A 91 11.061 17.897 6.575 1.00 1.42 O ATOM 1093 CB PRO A 91 12.173 17.101 9.269 1.00 1.91 C ATOM 1094 CG PRO A 91 11.732 15.828 9.904 1.00 1.96 C ATOM 1095 CD PRO A 91 10.403 15.499 9.290 1.00 1.67 C ATOM 0 HA PRO A 91 10.660 18.655 9.685 1.00 1.57 H new ATOM 0 HB2 PRO A 91 12.741 16.911 8.358 1.00 1.91 H new ATOM 0 HB3 PRO A 91 12.821 17.670 9.936 1.00 1.91 H new ATOM 0 HG2 PRO A 91 12.453 15.031 9.723 1.00 1.96 H new ATOM 0 HG3 PRO A 91 11.646 15.940 10.985 1.00 1.96 H new ATOM 0 HD2 PRO A 91 10.513 14.883 8.397 1.00 1.67 H new ATOM 0 HD3 PRO A 91 9.765 14.948 9.981 1.00 1.67 H new ATOM 1103 N PRO A 92 10.996 19.914 7.587 1.00 1.56 N ATOM 1104 CA PRO A 92 11.097 20.680 6.339 1.00 1.67 C ATOM 1105 C PRO A 92 12.328 20.293 5.527 1.00 1.87 C ATOM 1106 O PRO A 92 13.453 20.647 5.878 1.00 2.74 O ATOM 1107 CB PRO A 92 11.206 22.132 6.810 1.00 1.98 C ATOM 1108 CG PRO A 92 10.600 22.140 8.170 1.00 2.05 C ATOM 1109 CD PRO A 92 10.906 20.797 8.766 1.00 1.77 C ATOM 0 HA PRO A 92 10.246 20.498 5.682 1.00 1.67 H new ATOM 0 HB2 PRO A 92 12.245 22.461 6.838 1.00 1.98 H new ATOM 0 HB3 PRO A 92 10.676 22.806 6.137 1.00 1.98 H new ATOM 0 HG2 PRO A 92 11.018 22.942 8.779 1.00 2.05 H new ATOM 0 HG3 PRO A 92 9.524 22.308 8.117 1.00 2.05 H new ATOM 0 HD2 PRO A 92 11.838 20.811 9.330 1.00 1.77 H new ATOM 0 HD3 PRO A 92 10.123 20.474 9.452 1.00 1.77 H new ATOM 1117 N GLY A 93 12.104 19.566 4.442 1.00 1.48 N ATOM 1118 CA GLY A 93 13.201 19.133 3.599 1.00 1.64 C ATOM 1119 C GLY A 93 12.994 17.724 3.089 1.00 1.50 C ATOM 1120 O GLY A 93 13.696 17.268 2.189 1.00 1.68 O ATOM 0 H GLY A 93 11.180 19.267 4.129 1.00 1.48 H new ATOM 0 HA2 GLY A 93 13.301 19.814 2.754 1.00 1.64 H new ATOM 0 HA3 GLY A 93 14.133 19.183 4.161 1.00 1.64 H new ATOM 1124 N CYS A 94 12.021 17.034 3.677 1.00 1.28 N ATOM 1125 CA CYS A 94 11.705 15.669 3.286 1.00 1.27 C ATOM 1126 C CYS A 94 10.876 15.656 2.009 1.00 1.14 C ATOM 1127 O CYS A 94 9.828 16.299 1.932 1.00 1.17 O ATOM 1128 CB CYS A 94 10.940 14.961 4.405 1.00 1.33 C ATOM 1129 SG CYS A 94 11.821 14.907 5.983 1.00 2.34 S ATOM 0 H CYS A 94 11.437 17.402 4.428 1.00 1.28 H new ATOM 0 HA CYS A 94 12.641 15.141 3.103 1.00 1.27 H new ATOM 0 HB2 CYS A 94 9.984 15.464 4.552 1.00 1.33 H new ATOM 0 HB3 CYS A 94 10.718 13.941 4.090 1.00 1.33 H new ATOM 0 HG CYS A 94 11.727 16.062 6.572 1.00 2.34 H new ATOM 1135 N THR A 95 11.352 14.926 1.007 1.00 1.27 N ATOM 1136 CA THR A 95 10.646 14.830 -0.263 1.00 1.33 C ATOM 1137 C THR A 95 9.255 14.227 -0.069 1.00 0.96 C ATOM 1138 O THR A 95 9.122 13.145 0.504 1.00 0.86 O ATOM 1139 CB THR A 95 11.428 13.976 -1.276 1.00 1.73 C ATOM 1140 OG1 THR A 95 12.056 12.876 -0.609 1.00 1.72 O ATOM 1141 CG2 THR A 95 12.478 14.812 -1.990 1.00 2.23 C ATOM 0 H THR A 95 12.221 14.394 1.050 1.00 1.27 H new ATOM 0 HA THR A 95 10.551 15.843 -0.654 1.00 1.33 H new ATOM 0 HB THR A 95 10.725 13.595 -2.017 1.00 1.73 H new ATOM 0 HG1 THR A 95 12.550 12.337 -1.261 1.00 1.72 H new ATOM 0 HG21 THR A 95 13.018 14.187 -2.701 1.00 2.23 H new ATOM 0 HG22 THR A 95 11.992 15.630 -2.522 1.00 2.23 H new ATOM 0 HG23 THR A 95 13.178 15.219 -1.260 1.00 2.23 H new ATOM 1149 N PRO A 96 8.196 14.914 -0.542 1.00 0.93 N ATOM 1150 CA PRO A 96 6.822 14.427 -0.400 1.00 0.76 C ATOM 1151 C PRO A 96 6.559 13.177 -1.239 1.00 0.61 C ATOM 1152 O PRO A 96 7.058 13.060 -2.359 1.00 0.71 O ATOM 1153 CB PRO A 96 5.972 15.596 -0.904 1.00 1.07 C ATOM 1154 CG PRO A 96 6.869 16.343 -1.828 1.00 1.30 C ATOM 1155 CD PRO A 96 8.249 16.207 -1.254 1.00 1.27 C ATOM 0 HA PRO A 96 6.600 14.134 0.626 1.00 0.76 H new ATOM 0 HB2 PRO A 96 5.078 15.243 -1.419 1.00 1.07 H new ATOM 0 HB3 PRO A 96 5.638 16.227 -0.080 1.00 1.07 H new ATOM 0 HG2 PRO A 96 6.822 15.932 -2.836 1.00 1.30 H new ATOM 0 HG3 PRO A 96 6.575 17.390 -1.897 1.00 1.30 H new ATOM 0 HD2 PRO A 96 9.011 16.206 -2.034 1.00 1.27 H new ATOM 0 HD3 PRO A 96 8.486 17.029 -0.578 1.00 1.27 H new ATOM 1163 N PRO A 97 5.772 12.220 -0.708 1.00 0.50 N ATOM 1164 CA PRO A 97 5.446 10.984 -1.425 1.00 0.46 C ATOM 1165 C PRO A 97 4.527 11.240 -2.611 1.00 0.45 C ATOM 1166 O PRO A 97 4.151 12.380 -2.881 1.00 0.68 O ATOM 1167 CB PRO A 97 4.728 10.137 -0.372 1.00 0.59 C ATOM 1168 CG PRO A 97 4.166 11.124 0.590 1.00 0.69 C ATOM 1169 CD PRO A 97 5.136 12.269 0.625 1.00 0.64 C ATOM 0 HA PRO A 97 6.333 10.506 -1.840 1.00 0.46 H new ATOM 0 HB2 PRO A 97 3.942 9.530 -0.821 1.00 0.59 H new ATOM 0 HB3 PRO A 97 5.417 9.452 0.121 1.00 0.59 H new ATOM 0 HG2 PRO A 97 3.179 11.459 0.272 1.00 0.69 H new ATOM 0 HG3 PRO A 97 4.050 10.681 1.579 1.00 0.69 H new ATOM 0 HD2 PRO A 97 4.630 13.219 0.794 1.00 0.64 H new ATOM 0 HD3 PRO A 97 5.868 12.151 1.424 1.00 0.64 H new ATOM 1177 N ALA A 98 4.168 10.174 -3.317 1.00 0.44 N ATOM 1178 CA ALA A 98 3.290 10.286 -4.474 1.00 0.44 C ATOM 1179 C ALA A 98 1.831 10.417 -4.049 1.00 0.38 C ATOM 1180 O ALA A 98 1.184 9.426 -3.711 1.00 0.39 O ATOM 1181 CB ALA A 98 3.466 9.083 -5.390 1.00 0.54 C ATOM 0 H ALA A 98 4.472 9.223 -3.108 1.00 0.44 H new ATOM 0 HA ALA A 98 3.565 11.189 -5.019 1.00 0.44 H new ATOM 0 HB1 ALA A 98 2.804 9.181 -6.250 1.00 0.54 H new ATOM 0 HB2 ALA A 98 4.500 9.034 -5.732 1.00 0.54 H new ATOM 0 HB3 ALA A 98 3.221 8.172 -4.845 1.00 0.54 H new ATOM 1187 N LEU A 99 1.325 11.645 -4.057 1.00 0.45 N ATOM 1188 CA LEU A 99 -0.062 11.903 -3.686 1.00 0.44 C ATOM 1189 C LEU A 99 -0.993 11.442 -4.802 1.00 0.44 C ATOM 1190 O LEU A 99 -0.925 11.947 -5.923 1.00 0.61 O ATOM 1191 CB LEU A 99 -0.269 13.395 -3.410 1.00 0.52 C ATOM 1192 CG LEU A 99 -1.622 13.768 -2.803 1.00 0.41 C ATOM 1193 CD1 LEU A 99 -1.772 13.162 -1.416 1.00 0.46 C ATOM 1194 CD2 LEU A 99 -1.780 15.281 -2.746 1.00 0.46 C ATOM 0 H LEU A 99 1.854 12.478 -4.316 1.00 0.45 H new ATOM 0 HA LEU A 99 -0.293 11.345 -2.778 1.00 0.44 H new ATOM 0 HB2 LEU A 99 0.518 13.735 -2.737 1.00 0.52 H new ATOM 0 HB3 LEU A 99 -0.147 13.941 -4.346 1.00 0.52 H new ATOM 0 HG LEU A 99 -2.409 13.363 -3.440 1.00 0.41 H new ATOM 0 HD11 LEU A 99 -2.741 13.439 -1.001 1.00 0.46 H new ATOM 0 HD12 LEU A 99 -1.703 12.076 -1.484 1.00 0.46 H new ATOM 0 HD13 LEU A 99 -0.979 13.536 -0.768 1.00 0.46 H new ATOM 0 HD21 LEU A 99 -2.748 15.530 -2.311 1.00 0.46 H new ATOM 0 HD22 LEU A 99 -0.987 15.707 -2.132 1.00 0.46 H new ATOM 0 HD23 LEU A 99 -1.719 15.691 -3.754 1.00 0.46 H new ATOM 1206 N LEU A 100 -1.857 10.478 -4.498 1.00 0.44 N ATOM 1207 CA LEU A 100 -2.780 9.951 -5.498 1.00 0.39 C ATOM 1208 C LEU A 100 -4.024 9.336 -4.857 1.00 0.44 C ATOM 1209 O LEU A 100 -4.242 9.459 -3.650 1.00 0.66 O ATOM 1210 CB LEU A 100 -2.067 8.915 -6.373 1.00 0.53 C ATOM 1211 CG LEU A 100 -0.853 8.243 -5.728 1.00 0.54 C ATOM 1212 CD1 LEU A 100 -1.285 7.297 -4.623 1.00 0.79 C ATOM 1213 CD2 LEU A 100 -0.034 7.505 -6.772 1.00 0.98 C ATOM 0 H LEU A 100 -1.937 10.049 -3.576 1.00 0.44 H new ATOM 0 HA LEU A 100 -3.110 10.785 -6.118 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -2.784 8.143 -6.652 1.00 0.53 H new ATOM 0 HB3 LEU A 100 -1.747 9.400 -7.295 1.00 0.53 H new ATOM 0 HG LEU A 100 -0.229 9.020 -5.287 1.00 0.54 H new ATOM 0 HD11 LEU A 100 -0.406 6.831 -4.179 1.00 0.79 H new ATOM 0 HD12 LEU A 100 -1.826 7.854 -3.858 1.00 0.79 H new ATOM 0 HD13 LEU A 100 -1.934 6.526 -5.037 1.00 0.79 H new ATOM 0 HD21 LEU A 100 0.825 7.034 -6.294 1.00 0.98 H new ATOM 0 HD22 LEU A 100 -0.651 6.741 -7.245 1.00 0.98 H new ATOM 0 HD23 LEU A 100 0.313 8.210 -7.528 1.00 0.98 H new ATOM 1225 N ASP A 101 -4.834 8.675 -5.682 1.00 0.41 N ATOM 1226 CA ASP A 101 -6.068 8.046 -5.222 1.00 0.44 C ATOM 1227 C ASP A 101 -5.862 6.561 -4.928 1.00 0.40 C ATOM 1228 O ASP A 101 -4.891 5.953 -5.381 1.00 0.47 O ATOM 1229 CB ASP A 101 -7.161 8.224 -6.278 1.00 0.52 C ATOM 1230 CG ASP A 101 -8.501 7.674 -5.832 1.00 1.03 C ATOM 1231 OD1 ASP A 101 -9.144 8.305 -4.968 1.00 1.92 O ATOM 1232 OD2 ASP A 101 -8.907 6.613 -6.349 1.00 1.25 O ATOM 0 H ASP A 101 -4.655 8.561 -6.680 1.00 0.41 H new ATOM 0 HA ASP A 101 -6.372 8.531 -4.294 1.00 0.44 H new ATOM 0 HB2 ASP A 101 -7.267 9.284 -6.510 1.00 0.52 H new ATOM 0 HB3 ASP A 101 -6.856 7.725 -7.198 1.00 0.52 H new ATOM 1237 N ILE A 102 -6.792 5.989 -4.169 1.00 0.46 N ATOM 1238 CA ILE A 102 -6.736 4.579 -3.797 1.00 0.42 C ATOM 1239 C ILE A 102 -6.923 3.670 -5.013 1.00 0.46 C ATOM 1240 O ILE A 102 -6.659 2.470 -4.949 1.00 0.77 O ATOM 1241 CB ILE A 102 -7.810 4.252 -2.732 1.00 0.41 C ATOM 1242 CG1 ILE A 102 -7.701 2.798 -2.261 1.00 0.42 C ATOM 1243 CG2 ILE A 102 -9.202 4.532 -3.280 1.00 0.45 C ATOM 1244 CD1 ILE A 102 -6.362 2.459 -1.640 1.00 0.44 C ATOM 0 H ILE A 102 -7.601 6.486 -3.796 1.00 0.46 H new ATOM 0 HA ILE A 102 -5.747 4.393 -3.378 1.00 0.42 H new ATOM 0 HB ILE A 102 -7.636 4.896 -1.870 1.00 0.41 H new ATOM 0 HG12 ILE A 102 -8.489 2.601 -1.534 1.00 0.42 H new ATOM 0 HG13 ILE A 102 -7.876 2.136 -3.109 1.00 0.42 H new ATOM 0 HG21 ILE A 102 -9.947 4.297 -2.519 1.00 0.45 H new ATOM 0 HG22 ILE A 102 -9.281 5.584 -3.552 1.00 0.45 H new ATOM 0 HG23 ILE A 102 -9.377 3.915 -4.161 1.00 0.45 H new ATOM 0 HD11 ILE A 102 -6.359 1.414 -1.331 1.00 0.44 H new ATOM 0 HD12 ILE A 102 -5.570 2.624 -2.371 1.00 0.44 H new ATOM 0 HD13 ILE A 102 -6.192 3.095 -0.771 1.00 0.44 H new ATOM 1256 N SER A 103 -7.366 4.254 -6.123 1.00 0.42 N ATOM 1257 CA SER A 103 -7.590 3.494 -7.349 1.00 0.51 C ATOM 1258 C SER A 103 -6.293 2.861 -7.845 1.00 0.48 C ATOM 1259 O SER A 103 -6.315 1.893 -8.604 1.00 0.58 O ATOM 1260 CB SER A 103 -8.180 4.396 -8.435 1.00 0.66 C ATOM 1261 OG SER A 103 -7.277 5.427 -8.791 1.00 1.46 O ATOM 0 H SER A 103 -7.577 5.249 -6.199 1.00 0.42 H new ATOM 0 HA SER A 103 -8.299 2.696 -7.125 1.00 0.51 H new ATOM 0 HB2 SER A 103 -8.421 3.800 -9.315 1.00 0.66 H new ATOM 0 HB3 SER A 103 -9.114 4.833 -8.081 1.00 0.66 H new ATOM 0 HG SER A 103 -7.117 5.402 -9.758 1.00 1.46 H new ATOM 1267 N TRP A 104 -5.165 3.416 -7.412 1.00 0.38 N ATOM 1268 CA TRP A 104 -3.859 2.901 -7.807 1.00 0.36 C ATOM 1269 C TRP A 104 -3.595 1.547 -7.159 1.00 0.34 C ATOM 1270 O TRP A 104 -3.167 0.605 -7.821 1.00 0.35 O ATOM 1271 CB TRP A 104 -2.755 3.893 -7.417 1.00 0.34 C ATOM 1272 CG TRP A 104 -1.375 3.296 -7.428 1.00 0.32 C ATOM 1273 CD1 TRP A 104 -0.540 3.172 -8.501 1.00 0.34 C ATOM 1274 CD2 TRP A 104 -0.675 2.739 -6.308 1.00 0.31 C ATOM 1275 NE1 TRP A 104 0.636 2.573 -8.118 1.00 0.34 N ATOM 1276 CE2 TRP A 104 0.578 2.298 -6.776 1.00 0.32 C ATOM 1277 CE3 TRP A 104 -0.985 2.574 -4.956 1.00 0.30 C ATOM 1278 CZ2 TRP A 104 1.517 1.700 -5.940 1.00 0.33 C ATOM 1279 CZ3 TRP A 104 -0.051 1.980 -4.127 1.00 0.31 C ATOM 1280 CH2 TRP A 104 1.187 1.551 -4.621 1.00 0.32 C ATOM 0 H TRP A 104 -5.129 4.222 -6.788 1.00 0.38 H new ATOM 0 HA TRP A 104 -3.856 2.774 -8.890 1.00 0.36 H new ATOM 0 HB2 TRP A 104 -2.781 4.740 -8.103 1.00 0.34 H new ATOM 0 HB3 TRP A 104 -2.965 4.283 -6.421 1.00 0.34 H new ATOM 0 HD1 TRP A 104 -0.770 3.497 -9.505 1.00 0.34 H new ATOM 0 HE1 TRP A 104 1.424 2.367 -8.732 1.00 0.34 H new ATOM 0 HE3 TRP A 104 -1.936 2.904 -4.565 1.00 0.30 H new ATOM 0 HZ2 TRP A 104 2.471 1.366 -6.319 1.00 0.33 H new ATOM 0 HZ3 TRP A 104 -0.280 1.845 -3.080 1.00 0.31 H new ATOM 0 HH2 TRP A 104 1.896 1.093 -3.947 1.00 0.32 H new ATOM 1291 N LEU A 105 -3.859 1.459 -5.860 1.00 0.34 N ATOM 1292 CA LEU A 105 -3.634 0.228 -5.113 1.00 0.32 C ATOM 1293 C LEU A 105 -4.531 -0.900 -5.616 1.00 0.31 C ATOM 1294 O LEU A 105 -4.056 -2.002 -5.880 1.00 0.34 O ATOM 1295 CB LEU A 105 -3.870 0.463 -3.619 1.00 0.33 C ATOM 1296 CG LEU A 105 -3.581 -0.736 -2.714 1.00 0.32 C ATOM 1297 CD1 LEU A 105 -2.125 -1.161 -2.832 1.00 0.34 C ATOM 1298 CD2 LEU A 105 -3.920 -0.399 -1.270 1.00 0.35 C ATOM 0 H LEU A 105 -4.230 2.228 -5.302 1.00 0.34 H new ATOM 0 HA LEU A 105 -2.598 -0.072 -5.268 1.00 0.32 H new ATOM 0 HB2 LEU A 105 -3.248 1.298 -3.297 1.00 0.33 H new ATOM 0 HB3 LEU A 105 -4.908 0.764 -3.475 1.00 0.33 H new ATOM 0 HG LEU A 105 -4.206 -1.569 -3.035 1.00 0.32 H new ATOM 0 HD11 LEU A 105 -1.941 -2.015 -2.180 1.00 0.34 H new ATOM 0 HD12 LEU A 105 -1.910 -1.439 -3.864 1.00 0.34 H new ATOM 0 HD13 LEU A 105 -1.479 -0.334 -2.537 1.00 0.34 H new ATOM 0 HD21 LEU A 105 -3.710 -1.261 -0.636 1.00 0.35 H new ATOM 0 HD22 LEU A 105 -3.317 0.448 -0.943 1.00 0.35 H new ATOM 0 HD23 LEU A 105 -4.977 -0.142 -1.195 1.00 0.35 H new ATOM 1310 N THR A 106 -5.825 -0.617 -5.745 1.00 0.35 N ATOM 1311 CA THR A 106 -6.786 -1.615 -6.212 1.00 0.37 C ATOM 1312 C THR A 106 -6.299 -2.309 -7.481 1.00 0.36 C ATOM 1313 O THR A 106 -6.220 -3.537 -7.535 1.00 0.47 O ATOM 1314 CB THR A 106 -8.166 -0.986 -6.477 1.00 0.47 C ATOM 1315 OG1 THR A 106 -8.032 0.154 -7.334 1.00 0.50 O ATOM 1316 CG2 THR A 106 -8.825 -0.571 -5.172 1.00 0.59 C ATOM 0 H THR A 106 -6.233 0.294 -5.533 1.00 0.35 H new ATOM 0 HA THR A 106 -6.879 -2.355 -5.417 1.00 0.37 H new ATOM 0 HB THR A 106 -8.794 -1.731 -6.965 1.00 0.47 H new ATOM 0 HG1 THR A 106 -8.915 0.546 -7.498 1.00 0.50 H new ATOM 0 HG21 THR A 106 -9.799 -0.129 -5.381 1.00 0.59 H new ATOM 0 HG22 THR A 106 -8.953 -1.446 -4.535 1.00 0.59 H new ATOM 0 HG23 THR A 106 -8.196 0.160 -4.663 1.00 0.59 H new ATOM 1324 N GLU A 107 -5.973 -1.520 -8.501 1.00 0.38 N ATOM 1325 CA GLU A 107 -5.488 -2.070 -9.762 1.00 0.39 C ATOM 1326 C GLU A 107 -4.150 -2.774 -9.565 1.00 0.33 C ATOM 1327 O GLU A 107 -3.868 -3.782 -10.212 1.00 0.43 O ATOM 1328 CB GLU A 107 -5.351 -0.967 -10.812 1.00 0.46 C ATOM 1329 CG GLU A 107 -6.685 -0.398 -11.264 1.00 0.53 C ATOM 1330 CD GLU A 107 -6.539 0.635 -12.362 1.00 0.83 C ATOM 1331 OE1 GLU A 107 -6.377 0.238 -13.535 1.00 0.95 O ATOM 1332 OE2 GLU A 107 -6.587 1.841 -12.049 1.00 1.51 O ATOM 0 H GLU A 107 -6.036 -0.502 -8.479 1.00 0.38 H new ATOM 0 HA GLU A 107 -6.216 -2.801 -10.114 1.00 0.39 H new ATOM 0 HB2 GLU A 107 -4.740 -0.162 -10.405 1.00 0.46 H new ATOM 0 HB3 GLU A 107 -4.821 -1.363 -11.678 1.00 0.46 H new ATOM 0 HG2 GLU A 107 -7.321 -1.210 -11.617 1.00 0.53 H new ATOM 0 HG3 GLU A 107 -7.190 0.054 -10.411 1.00 0.53 H new ATOM 1339 N SER A 108 -3.327 -2.234 -8.668 1.00 0.35 N ATOM 1340 CA SER A 108 -2.023 -2.821 -8.382 1.00 0.36 C ATOM 1341 C SER A 108 -2.189 -4.218 -7.797 1.00 0.38 C ATOM 1342 O SER A 108 -1.346 -5.091 -7.999 1.00 0.46 O ATOM 1343 CB SER A 108 -1.236 -1.935 -7.412 1.00 0.45 C ATOM 1344 OG SER A 108 -0.974 -0.664 -7.980 1.00 0.88 O ATOM 0 H SER A 108 -3.540 -1.394 -8.130 1.00 0.35 H new ATOM 0 HA SER A 108 -1.466 -2.894 -9.316 1.00 0.36 H new ATOM 0 HB2 SER A 108 -1.799 -1.814 -6.487 1.00 0.45 H new ATOM 0 HB3 SER A 108 -0.296 -2.421 -7.152 1.00 0.45 H new ATOM 0 HG SER A 108 -1.661 -0.028 -7.690 1.00 0.88 H new ATOM 1350 N LEU A 109 -3.286 -4.420 -7.071 1.00 0.36 N ATOM 1351 CA LEU A 109 -3.573 -5.714 -6.465 1.00 0.43 C ATOM 1352 C LEU A 109 -4.066 -6.690 -7.525 1.00 0.52 C ATOM 1353 O LEU A 109 -3.785 -7.886 -7.462 1.00 0.75 O ATOM 1354 CB LEU A 109 -4.625 -5.575 -5.358 1.00 0.40 C ATOM 1355 CG LEU A 109 -4.249 -4.644 -4.200 1.00 0.47 C ATOM 1356 CD1 LEU A 109 -5.343 -4.638 -3.143 1.00 0.71 C ATOM 1357 CD2 LEU A 109 -2.921 -5.058 -3.586 1.00 0.86 C ATOM 0 H LEU A 109 -3.989 -3.704 -6.889 1.00 0.36 H new ATOM 0 HA LEU A 109 -2.653 -6.096 -6.023 1.00 0.43 H new ATOM 0 HB2 LEU A 109 -5.551 -5.214 -5.805 1.00 0.40 H new ATOM 0 HB3 LEU A 109 -4.832 -6.565 -4.952 1.00 0.40 H new ATOM 0 HG LEU A 109 -4.144 -3.634 -4.596 1.00 0.47 H new ATOM 0 HD11 LEU A 109 -5.059 -3.972 -2.329 1.00 0.71 H new ATOM 0 HD12 LEU A 109 -6.276 -4.291 -3.587 1.00 0.71 H new ATOM 0 HD13 LEU A 109 -5.479 -5.647 -2.755 1.00 0.71 H new ATOM 0 HD21 LEU A 109 -2.673 -4.384 -2.766 1.00 0.86 H new ATOM 0 HD22 LEU A 109 -2.997 -6.077 -3.207 1.00 0.86 H new ATOM 0 HD23 LEU A 109 -2.139 -5.010 -4.344 1.00 0.86 H new ATOM 1369 N GLY A 110 -4.805 -6.165 -8.500 1.00 0.48 N ATOM 1370 CA GLY A 110 -5.324 -6.997 -9.568 1.00 0.62 C ATOM 1371 C GLY A 110 -4.222 -7.579 -10.430 1.00 0.67 C ATOM 1372 O GLY A 110 -4.292 -8.738 -10.838 1.00 0.96 O ATOM 0 H GLY A 110 -5.052 -5.178 -8.568 1.00 0.48 H new ATOM 0 HA2 GLY A 110 -5.914 -7.807 -9.140 1.00 0.62 H new ATOM 0 HA3 GLY A 110 -5.997 -6.407 -10.191 1.00 0.62 H new ATOM 1376 N ALA A 111 -3.201 -6.772 -10.706 1.00 0.47 N ATOM 1377 CA ALA A 111 -2.079 -7.213 -11.523 1.00 0.53 C ATOM 1378 C ALA A 111 -1.039 -7.941 -10.677 1.00 0.59 C ATOM 1379 O ALA A 111 -0.212 -8.689 -11.200 1.00 0.71 O ATOM 1380 CB ALA A 111 -1.445 -6.030 -12.241 1.00 0.48 C ATOM 0 H ALA A 111 -3.129 -5.810 -10.375 1.00 0.47 H new ATOM 0 HA ALA A 111 -2.459 -7.911 -12.269 1.00 0.53 H new ATOM 0 HB1 ALA A 111 -0.608 -6.378 -12.847 1.00 0.48 H new ATOM 0 HB2 ALA A 111 -2.186 -5.555 -12.884 1.00 0.48 H new ATOM 0 HB3 ALA A 111 -1.086 -5.309 -11.507 1.00 0.48 H new ATOM 1386 N GLY A 112 -1.091 -7.717 -9.367 1.00 0.53 N ATOM 1387 CA GLY A 112 -0.154 -8.361 -8.463 1.00 0.60 C ATOM 1388 C GLY A 112 1.220 -7.718 -8.488 1.00 0.58 C ATOM 1389 O GLY A 112 2.210 -8.344 -8.107 1.00 0.66 O ATOM 0 H GLY A 112 -1.766 -7.100 -8.915 1.00 0.53 H new ATOM 0 HA2 GLY A 112 -0.550 -8.323 -7.448 1.00 0.60 H new ATOM 0 HA3 GLY A 112 -0.063 -9.414 -8.730 1.00 0.60 H new ATOM 1393 N GLN A 113 1.279 -6.467 -8.933 1.00 0.52 N ATOM 1394 CA GLN A 113 2.542 -5.740 -9.010 1.00 0.54 C ATOM 1395 C GLN A 113 2.298 -4.231 -9.041 1.00 0.50 C ATOM 1396 O GLN A 113 1.256 -3.779 -9.518 1.00 0.48 O ATOM 1397 CB GLN A 113 3.323 -6.169 -10.254 1.00 0.60 C ATOM 1398 CG GLN A 113 2.593 -5.886 -11.558 1.00 0.61 C ATOM 1399 CD GLN A 113 3.423 -6.231 -12.779 1.00 0.81 C ATOM 1400 OE1 GLN A 113 3.377 -7.356 -13.276 1.00 1.45 O ATOM 1401 NE2 GLN A 113 4.187 -5.263 -13.270 1.00 0.87 N ATOM 0 H GLN A 113 0.467 -5.935 -9.246 1.00 0.52 H new ATOM 0 HA GLN A 113 3.128 -5.977 -8.122 1.00 0.54 H new ATOM 0 HB2 GLN A 113 4.283 -5.654 -10.266 1.00 0.60 H new ATOM 0 HB3 GLN A 113 3.535 -7.236 -10.190 1.00 0.60 H new ATOM 0 HG2 GLN A 113 1.665 -6.457 -11.581 1.00 0.61 H new ATOM 0 HG3 GLN A 113 2.320 -4.831 -11.595 1.00 0.61 H new ATOM 0 HE21 GLN A 113 4.195 -4.345 -12.826 1.00 0.87 H new ATOM 0 HE22 GLN A 113 4.766 -5.438 -14.091 1.00 0.87 H new ATOM 1410 N PRO A 114 3.256 -3.428 -8.535 1.00 0.53 N ATOM 1411 CA PRO A 114 3.129 -1.965 -8.517 1.00 0.52 C ATOM 1412 C PRO A 114 3.069 -1.376 -9.921 1.00 0.54 C ATOM 1413 O PRO A 114 4.101 -1.101 -10.534 1.00 0.62 O ATOM 1414 CB PRO A 114 4.398 -1.498 -7.795 1.00 0.57 C ATOM 1415 CG PRO A 114 5.361 -2.622 -7.953 1.00 0.68 C ATOM 1416 CD PRO A 114 4.532 -3.873 -7.944 1.00 0.60 C ATOM 0 HA PRO A 114 2.208 -1.644 -8.030 1.00 0.52 H new ATOM 0 HB2 PRO A 114 4.787 -0.579 -8.234 1.00 0.57 H new ATOM 0 HB3 PRO A 114 4.201 -1.291 -6.743 1.00 0.57 H new ATOM 0 HG2 PRO A 114 5.920 -2.530 -8.884 1.00 0.68 H new ATOM 0 HG3 PRO A 114 6.090 -2.630 -7.143 1.00 0.68 H new ATOM 0 HD2 PRO A 114 4.993 -4.667 -8.531 1.00 0.60 H new ATOM 0 HD3 PRO A 114 4.396 -4.260 -6.934 1.00 0.60 H new ATOM 1424 N VAL A 115 1.855 -1.186 -10.423 1.00 0.51 N ATOM 1425 CA VAL A 115 1.656 -0.632 -11.756 1.00 0.53 C ATOM 1426 C VAL A 115 2.153 0.811 -11.834 1.00 0.49 C ATOM 1427 O VAL A 115 2.105 1.543 -10.843 1.00 0.45 O ATOM 1428 CB VAL A 115 0.171 -0.675 -12.166 1.00 0.54 C ATOM 1429 CG1 VAL A 115 -0.326 -2.111 -12.220 1.00 0.65 C ATOM 1430 CG2 VAL A 115 -0.673 0.153 -11.209 1.00 0.47 C ATOM 0 H VAL A 115 0.992 -1.408 -9.926 1.00 0.51 H new ATOM 0 HA VAL A 115 2.234 -1.249 -12.444 1.00 0.53 H new ATOM 0 HB VAL A 115 0.076 -0.244 -13.162 1.00 0.54 H new ATOM 0 HG11 VAL A 115 -1.376 -2.122 -12.511 1.00 0.65 H new ATOM 0 HG12 VAL A 115 0.259 -2.671 -12.950 1.00 0.65 H new ATOM 0 HG13 VAL A 115 -0.217 -2.571 -11.238 1.00 0.65 H new ATOM 0 HG21 VAL A 115 -1.718 0.110 -11.515 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.574 -0.245 -10.199 1.00 0.47 H new ATOM 0 HG23 VAL A 115 -0.332 1.188 -11.226 1.00 0.47 H new ATOM 1440 N PRO A 116 2.644 1.242 -13.013 1.00 0.56 N ATOM 1441 CA PRO A 116 3.142 2.608 -13.206 1.00 0.58 C ATOM 1442 C PRO A 116 2.033 3.638 -13.042 1.00 0.48 C ATOM 1443 O PRO A 116 1.113 3.707 -13.858 1.00 0.55 O ATOM 1444 CB PRO A 116 3.665 2.611 -14.650 1.00 0.72 C ATOM 1445 CG PRO A 116 3.808 1.173 -15.020 1.00 0.85 C ATOM 1446 CD PRO A 116 2.752 0.443 -14.245 1.00 0.69 C ATOM 0 HA PRO A 116 3.903 2.873 -12.472 1.00 0.58 H new ATOM 0 HB2 PRO A 116 2.972 3.122 -15.318 1.00 0.72 H new ATOM 0 HB3 PRO A 116 4.620 3.132 -14.721 1.00 0.72 H new ATOM 0 HG2 PRO A 116 3.674 1.030 -16.092 1.00 0.85 H new ATOM 0 HG3 PRO A 116 4.802 0.802 -14.770 1.00 0.85 H new ATOM 0 HD2 PRO A 116 1.807 0.404 -14.786 1.00 0.69 H new ATOM 0 HD3 PRO A 116 3.042 -0.587 -14.036 1.00 0.69 H new ATOM 1454 N VAL A 117 2.123 4.435 -11.983 1.00 0.46 N ATOM 1455 CA VAL A 117 1.121 5.456 -11.708 1.00 0.44 C ATOM 1456 C VAL A 117 1.055 6.495 -12.825 1.00 0.49 C ATOM 1457 O VAL A 117 2.076 7.031 -13.253 1.00 0.61 O ATOM 1458 CB VAL A 117 1.399 6.172 -10.371 1.00 0.58 C ATOM 1459 CG1 VAL A 117 2.820 6.715 -10.336 1.00 0.99 C ATOM 1460 CG2 VAL A 117 0.391 7.290 -10.142 1.00 1.25 C ATOM 0 H VAL A 117 2.880 4.393 -11.301 1.00 0.46 H new ATOM 0 HA VAL A 117 0.163 4.940 -11.646 1.00 0.44 H new ATOM 0 HB VAL A 117 1.293 5.445 -9.566 1.00 0.58 H new ATOM 0 HG11 VAL A 117 2.995 7.216 -9.384 1.00 0.99 H new ATOM 0 HG12 VAL A 117 3.527 5.893 -10.448 1.00 0.99 H new ATOM 0 HG13 VAL A 117 2.958 7.426 -11.151 1.00 0.99 H new ATOM 0 HG21 VAL A 117 0.604 7.783 -9.194 1.00 1.25 H new ATOM 0 HG22 VAL A 117 0.462 8.016 -10.952 1.00 1.25 H new ATOM 0 HG23 VAL A 117 -0.616 6.873 -10.116 1.00 1.25 H new ATOM 1470 N GLU A 118 -0.159 6.770 -13.290 1.00 0.57 N ATOM 1471 CA GLU A 118 -0.371 7.753 -14.342 1.00 0.70 C ATOM 1472 C GLU A 118 -0.911 9.048 -13.750 1.00 0.71 C ATOM 1473 O GLU A 118 -1.264 9.097 -12.571 1.00 0.66 O ATOM 1474 CB GLU A 118 -1.353 7.223 -15.386 1.00 0.84 C ATOM 1475 CG GLU A 118 -0.864 5.986 -16.115 1.00 1.34 C ATOM 1476 CD GLU A 118 -1.803 5.569 -17.228 1.00 1.95 C ATOM 1477 OE1 GLU A 118 -2.767 4.830 -16.944 1.00 2.63 O ATOM 1478 OE2 GLU A 118 -1.576 5.988 -18.382 1.00 2.31 O ATOM 0 H GLU A 118 -1.012 6.324 -12.953 1.00 0.57 H new ATOM 0 HA GLU A 118 0.587 7.946 -14.824 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -2.300 6.994 -14.897 1.00 0.84 H new ATOM 0 HB3 GLU A 118 -1.552 8.008 -16.115 1.00 0.84 H new ATOM 0 HG2 GLU A 118 0.126 6.178 -16.530 1.00 1.34 H new ATOM 0 HG3 GLU A 118 -0.758 5.166 -15.405 1.00 1.34 H new ATOM 1485 N CYS A 119 -0.977 10.092 -14.568 1.00 0.84 N ATOM 1486 CA CYS A 119 -1.490 11.379 -14.114 1.00 0.88 C ATOM 1487 C CYS A 119 -2.942 11.238 -13.677 1.00 0.79 C ATOM 1488 O CYS A 119 -3.455 12.049 -12.904 1.00 0.76 O ATOM 1489 CB CYS A 119 -1.378 12.422 -15.226 1.00 1.11 C ATOM 1490 SG CYS A 119 0.314 12.716 -15.790 1.00 2.07 S ATOM 0 H CYS A 119 -0.683 10.073 -15.545 1.00 0.84 H new ATOM 0 HA CYS A 119 -0.893 11.710 -13.264 1.00 0.88 H new ATOM 0 HB2 CYS A 119 -1.982 12.100 -16.074 1.00 1.11 H new ATOM 0 HB3 CYS A 119 -1.801 13.362 -14.872 1.00 1.11 H new ATOM 0 HG CYS A 119 0.308 13.611 -16.733 1.00 2.07 H new ATOM 1496 N ARG A 120 -3.595 10.195 -14.181 1.00 0.82 N ATOM 1497 CA ARG A 120 -4.988 9.922 -13.856 1.00 0.82 C ATOM 1498 C ARG A 120 -5.168 9.720 -12.355 1.00 0.68 C ATOM 1499 O ARG A 120 -5.879 10.479 -11.696 1.00 0.77 O ATOM 1500 CB ARG A 120 -5.461 8.673 -14.599 1.00 0.98 C ATOM 1501 CG ARG A 120 -6.964 8.620 -14.804 1.00 1.58 C ATOM 1502 CD ARG A 120 -7.378 9.423 -16.023 1.00 2.22 C ATOM 1503 NE ARG A 120 -6.781 8.894 -17.245 1.00 2.86 N ATOM 1504 CZ ARG A 120 -6.610 9.607 -18.350 1.00 3.77 C ATOM 1505 NH1 ARG A 120 -6.977 10.880 -18.386 1.00 4.23 N ATOM 1506 NH2 ARG A 120 -6.068 9.048 -19.423 1.00 4.59 N ATOM 0 H ARG A 120 -3.176 9.521 -14.821 1.00 0.82 H new ATOM 0 HA ARG A 120 -5.584 10.781 -14.166 1.00 0.82 H new ATOM 0 HB2 ARG A 120 -4.969 8.630 -15.570 1.00 0.98 H new ATOM 0 HB3 ARG A 120 -5.147 7.789 -14.043 1.00 0.98 H new ATOM 0 HG2 ARG A 120 -7.282 7.584 -14.922 1.00 1.58 H new ATOM 0 HG3 ARG A 120 -7.469 9.009 -13.920 1.00 1.58 H new ATOM 0 HD2 ARG A 120 -8.464 9.412 -16.114 1.00 2.22 H new ATOM 0 HD3 ARG A 120 -7.079 10.463 -15.893 1.00 2.22 H new ATOM 0 HE ARG A 120 -6.478 7.920 -17.249 1.00 2.86 H new ATOM 0 HH11 ARG A 120 -7.393 11.314 -17.562 1.00 4.23 H new ATOM 0 HH12 ARG A 120 -6.844 11.425 -19.238 1.00 4.23 H new ATOM 0 HH21 ARG A 120 -5.782 8.069 -19.399 1.00 4.59 H new ATOM 0 HH22 ARG A 120 -5.937 9.597 -20.273 1.00 4.59 H new ATOM 1520 N HIS A 121 -4.520 8.688 -11.823 1.00 0.57 N ATOM 1521 CA HIS A 121 -4.605 8.379 -10.399 1.00 0.56 C ATOM 1522 C HIS A 121 -3.923 9.458 -9.569 1.00 0.50 C ATOM 1523 O HIS A 121 -4.279 9.683 -8.411 1.00 0.63 O ATOM 1524 CB HIS A 121 -3.977 7.015 -10.116 1.00 0.66 C ATOM 1525 CG HIS A 121 -4.588 5.910 -10.916 1.00 0.72 C ATOM 1526 ND1 HIS A 121 -5.907 5.916 -11.321 1.00 1.34 N ATOM 1527 CD2 HIS A 121 -4.055 4.763 -11.398 1.00 1.33 C ATOM 1528 CE1 HIS A 121 -6.157 4.821 -12.014 1.00 1.34 C ATOM 1529 NE2 HIS A 121 -5.050 4.105 -12.076 1.00 1.22 N ATOM 0 H HIS A 121 -3.929 8.051 -12.357 1.00 0.57 H new ATOM 0 HA HIS A 121 -5.658 8.347 -10.118 1.00 0.56 H new ATOM 0 HB2 HIS A 121 -2.909 7.062 -10.329 1.00 0.66 H new ATOM 0 HB3 HIS A 121 -4.080 6.787 -9.055 1.00 0.66 H new ATOM 0 HD2 HIS A 121 -3.036 4.428 -11.272 1.00 1.33 H new ATOM 0 HE1 HIS A 121 -7.106 4.556 -12.455 1.00 1.34 H new ATOM 0 HE2 HIS A 121 -4.950 3.208 -12.551 1.00 1.22 H new ATOM 1538 N ARG A 122 -2.938 10.118 -10.164 1.00 0.49 N ATOM 1539 CA ARG A 122 -2.216 11.186 -9.487 1.00 0.50 C ATOM 1540 C ARG A 122 -2.927 12.516 -9.723 1.00 0.62 C ATOM 1541 O ARG A 122 -2.313 13.504 -10.125 1.00 1.05 O ATOM 1542 CB ARG A 122 -0.775 11.253 -10.000 1.00 0.64 C ATOM 1543 CG ARG A 122 0.257 11.411 -8.896 1.00 0.75 C ATOM 1544 CD ARG A 122 1.672 11.363 -9.445 1.00 0.95 C ATOM 1545 NE ARG A 122 1.928 12.439 -10.397 1.00 1.67 N ATOM 1546 CZ ARG A 122 3.070 13.119 -10.450 1.00 2.32 C ATOM 1547 NH1 ARG A 122 4.053 12.837 -9.607 1.00 2.38 N ATOM 1548 NH2 ARG A 122 3.228 14.083 -11.346 1.00 3.30 N ATOM 0 H ARG A 122 -2.621 9.932 -11.115 1.00 0.49 H new ATOM 0 HA ARG A 122 -2.193 10.982 -8.416 1.00 0.50 H new ATOM 0 HB2 ARG A 122 -0.556 10.346 -10.563 1.00 0.64 H new ATOM 0 HB3 ARG A 122 -0.684 12.089 -10.694 1.00 0.64 H new ATOM 0 HG2 ARG A 122 0.098 12.358 -8.381 1.00 0.75 H new ATOM 0 HG3 ARG A 122 0.125 10.620 -8.158 1.00 0.75 H new ATOM 0 HD2 ARG A 122 2.383 11.432 -8.621 1.00 0.95 H new ATOM 0 HD3 ARG A 122 1.839 10.402 -9.931 1.00 0.95 H new ATOM 0 HE ARG A 122 1.191 12.683 -11.058 1.00 1.67 H new ATOM 0 HH11 ARG A 122 3.935 12.097 -8.915 1.00 2.38 H new ATOM 0 HH12 ARG A 122 4.928 13.360 -9.650 1.00 2.38 H new ATOM 0 HH21 ARG A 122 2.473 14.304 -11.996 1.00 3.30 H new ATOM 0 HH22 ARG A 122 4.104 14.604 -11.386 1.00 3.30 H new ATOM 1562 N LEU A 123 -4.231 12.525 -9.457 1.00 0.57 N ATOM 1563 CA LEU A 123 -5.061 13.711 -9.662 1.00 0.82 C ATOM 1564 C LEU A 123 -4.793 14.806 -8.628 1.00 0.73 C ATOM 1565 O LEU A 123 -5.649 15.659 -8.391 1.00 1.31 O ATOM 1566 CB LEU A 123 -6.547 13.329 -9.634 1.00 1.23 C ATOM 1567 CG LEU A 123 -7.113 12.963 -8.256 1.00 0.98 C ATOM 1568 CD1 LEU A 123 -8.632 13.008 -8.280 1.00 1.12 C ATOM 1569 CD2 LEU A 123 -6.636 11.585 -7.821 1.00 1.47 C ATOM 0 H LEU A 123 -4.739 11.718 -9.096 1.00 0.57 H new ATOM 0 HA LEU A 123 -4.797 14.114 -10.640 1.00 0.82 H new ATOM 0 HB2 LEU A 123 -7.125 14.162 -10.034 1.00 1.23 H new ATOM 0 HB3 LEU A 123 -6.699 12.484 -10.305 1.00 1.23 H new ATOM 0 HG LEU A 123 -6.749 13.695 -7.535 1.00 0.98 H new ATOM 0 HD11 LEU A 123 -9.019 12.746 -7.295 1.00 1.12 H new ATOM 0 HD12 LEU A 123 -8.962 14.013 -8.544 1.00 1.12 H new ATOM 0 HD13 LEU A 123 -9.005 12.298 -9.018 1.00 1.12 H new ATOM 0 HD21 LEU A 123 -7.051 11.349 -6.841 1.00 1.47 H new ATOM 0 HD22 LEU A 123 -6.967 10.840 -8.544 1.00 1.47 H new ATOM 0 HD23 LEU A 123 -5.547 11.578 -7.765 1.00 1.47 H new ATOM 1581 N GLU A 124 -3.614 14.792 -8.016 1.00 0.59 N ATOM 1582 CA GLU A 124 -3.268 15.804 -7.024 1.00 0.63 C ATOM 1583 C GLU A 124 -3.235 17.194 -7.658 1.00 0.79 C ATOM 1584 O GLU A 124 -2.220 17.530 -8.301 1.00 1.47 O ATOM 1585 CB GLU A 124 -1.920 15.487 -6.375 1.00 0.93 C ATOM 1586 CG GLU A 124 -0.840 15.099 -7.369 1.00 1.70 C ATOM 1587 CD GLU A 124 0.550 15.452 -6.883 1.00 2.39 C ATOM 1588 OE1 GLU A 124 1.025 14.810 -5.925 1.00 2.69 O ATOM 1589 OE2 GLU A 124 1.163 16.371 -7.462 1.00 3.01 O ATOM 1590 OXT GLU A 124 -4.228 17.935 -7.506 1.00 1.11 O ATOM 0 H GLU A 124 -2.887 14.097 -8.187 1.00 0.59 H new ATOM 0 HA GLU A 124 -4.036 15.794 -6.251 1.00 0.63 H new ATOM 0 HB2 GLU A 124 -1.585 16.357 -5.810 1.00 0.93 H new ATOM 0 HB3 GLU A 124 -2.053 14.674 -5.661 1.00 0.93 H new ATOM 0 HG2 GLU A 124 -0.894 14.027 -7.559 1.00 1.70 H new ATOM 0 HG3 GLU A 124 -1.028 15.600 -8.318 1.00 1.70 H new