USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 121 HIS : no HD1:sc= -0.282! C(o=-0.28!,f=-4.8!) USER MOD Set 2.1: A 64 SER OG : rot -101:sc= 0.673 USER MOD Set 2.2: A 87 MET CE :methyl 138:sc= -3.13! (180deg=-5.42!) USER MOD Set 3.1: A 71 MET CE :methyl -129:sc= -0.845 (180deg=-0.907) USER MOD Set 3.2: A 74 THR OG1 : rot 84:sc= 0.703 USER MOD Single : A 25 THR OG1 : rot -160:sc= 0 USER MOD Single : A 33 TYR OH : rot 90:sc= 1.29 USER MOD Single : A 39 MET CE :methyl -124:sc= -0.121 (180deg=-3.82!) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0414 USER MOD Single : A 48 THR OG1 : rot 54:sc= 1.21 USER MOD Single : A 53 SER OG : rot 81:sc= 1.04 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 67:sc= 0.271 USER MOD Single : A 67 THR OG1 : rot -55:sc= 0.195 USER MOD Single : A 68 HIS : no HE2:sc= -3.85! C(o=-3.8!,f=-6.5!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 66:sc= 1.22 USER MOD Single : A 83 GLN : amide:sc= -0.997 K(o=-1,f=-5.5!) USER MOD Single : A 94 CYS SG : rot -170:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 150:sc= -1.13 USER MOD Single : A 108 SER OG : rot 67:sc= -0.184! USER MOD Single : A 113 GLN : amide:sc= -1.12! K(o=-1.1!,f=-0.026) USER MOD Single : A 119 CYS SG : rot -25:sc= 0.094 USER MOD ----------------------------------------------------------------- ATOM 63 N THR A 25 4.557 -4.887 6.460 1.00 1.09 N ATOM 64 CA THR A 25 4.783 -4.800 5.031 1.00 0.85 C ATOM 65 C THR A 25 5.337 -6.140 4.557 1.00 1.01 C ATOM 66 O THR A 25 5.784 -6.946 5.375 1.00 1.99 O ATOM 67 CB THR A 25 5.768 -3.662 4.674 1.00 0.70 C ATOM 68 OG1 THR A 25 7.104 -4.166 4.579 1.00 0.83 O ATOM 69 CG2 THR A 25 5.745 -2.561 5.721 1.00 0.96 C ATOM 0 HA THR A 25 3.840 -4.573 4.534 1.00 0.85 H new ATOM 0 HB THR A 25 5.451 -3.253 3.714 1.00 0.70 H new ATOM 0 HG1 THR A 25 7.740 -3.426 4.671 1.00 0.83 H new ATOM 0 HG21 THR A 25 6.448 -1.777 5.440 1.00 0.96 H new ATOM 0 HG22 THR A 25 4.741 -2.142 5.786 1.00 0.96 H new ATOM 0 HG23 THR A 25 6.029 -2.973 6.689 1.00 0.96 H new ATOM 77 N ARG A 26 5.301 -6.393 3.257 1.00 0.78 N ATOM 78 CA ARG A 26 5.667 -7.709 2.751 1.00 0.81 C ATOM 79 C ARG A 26 6.704 -7.616 1.629 1.00 0.79 C ATOM 80 O ARG A 26 7.620 -8.434 1.554 1.00 0.95 O ATOM 81 CB ARG A 26 4.400 -8.422 2.275 1.00 1.04 C ATOM 82 CG ARG A 26 4.514 -9.935 2.191 1.00 1.15 C ATOM 83 CD ARG A 26 5.156 -10.392 0.896 1.00 1.19 C ATOM 84 NE ARG A 26 5.002 -11.829 0.697 1.00 1.65 N ATOM 85 CZ ARG A 26 5.620 -12.517 -0.257 1.00 1.90 C ATOM 86 NH1 ARG A 26 6.460 -11.900 -1.083 1.00 2.06 N ATOM 87 NH2 ARG A 26 5.402 -13.817 -0.385 1.00 2.51 N ATOM 0 H ARG A 26 5.027 -5.718 2.543 1.00 0.78 H new ATOM 0 HA ARG A 26 6.130 -8.283 3.554 1.00 0.81 H new ATOM 0 HB2 ARG A 26 3.583 -8.170 2.951 1.00 1.04 H new ATOM 0 HB3 ARG A 26 4.131 -8.037 1.292 1.00 1.04 H new ATOM 0 HG2 ARG A 26 5.101 -10.300 3.034 1.00 1.15 H new ATOM 0 HG3 ARG A 26 3.522 -10.377 2.278 1.00 1.15 H new ATOM 0 HD2 ARG A 26 4.707 -9.858 0.059 1.00 1.19 H new ATOM 0 HD3 ARG A 26 6.216 -10.137 0.905 1.00 1.19 H new ATOM 0 HE ARG A 26 4.382 -12.336 1.329 1.00 1.65 H new ATOM 0 HH11 ARG A 26 6.630 -10.899 -0.984 1.00 2.06 H new ATOM 0 HH12 ARG A 26 6.935 -12.428 -1.816 1.00 2.06 H new ATOM 0 HH21 ARG A 26 4.759 -14.291 0.249 1.00 2.51 H new ATOM 0 HH22 ARG A 26 5.877 -14.344 -1.118 1.00 2.51 H new ATOM 101 N PHE A 27 6.561 -6.625 0.763 1.00 0.72 N ATOM 102 CA PHE A 27 7.460 -6.470 -0.377 1.00 0.77 C ATOM 103 C PHE A 27 7.960 -5.032 -0.469 1.00 0.71 C ATOM 104 O PHE A 27 7.216 -4.133 -0.863 1.00 0.72 O ATOM 105 CB PHE A 27 6.733 -6.882 -1.661 1.00 0.88 C ATOM 106 CG PHE A 27 7.487 -6.603 -2.932 1.00 0.78 C ATOM 107 CD1 PHE A 27 8.505 -7.442 -3.356 1.00 0.89 C ATOM 108 CD2 PHE A 27 7.158 -5.507 -3.712 1.00 0.96 C ATOM 109 CE1 PHE A 27 9.182 -7.187 -4.534 1.00 1.25 C ATOM 110 CE2 PHE A 27 7.832 -5.245 -4.888 1.00 1.35 C ATOM 111 CZ PHE A 27 8.846 -6.088 -5.303 1.00 1.51 C ATOM 0 H PHE A 27 5.832 -5.914 0.825 1.00 0.72 H new ATOM 0 HA PHE A 27 8.328 -7.116 -0.243 1.00 0.77 H new ATOM 0 HB2 PHE A 27 6.515 -7.949 -1.612 1.00 0.88 H new ATOM 0 HB3 PHE A 27 5.776 -6.363 -1.702 1.00 0.88 H new ATOM 0 HD1 PHE A 27 8.772 -8.303 -2.761 1.00 0.89 H new ATOM 0 HD2 PHE A 27 6.363 -4.848 -3.396 1.00 0.96 H new ATOM 0 HE1 PHE A 27 9.975 -7.847 -4.854 1.00 1.25 H new ATOM 0 HE2 PHE A 27 7.568 -4.383 -5.483 1.00 1.35 H new ATOM 0 HZ PHE A 27 9.374 -5.889 -6.224 1.00 1.51 H new ATOM 121 N PRO A 28 9.229 -4.799 -0.097 1.00 0.72 N ATOM 122 CA PRO A 28 9.816 -3.456 -0.070 1.00 0.81 C ATOM 123 C PRO A 28 10.049 -2.881 -1.465 1.00 1.01 C ATOM 124 O PRO A 28 9.810 -3.542 -2.479 1.00 2.02 O ATOM 125 CB PRO A 28 11.141 -3.661 0.663 1.00 0.91 C ATOM 126 CG PRO A 28 11.497 -5.083 0.405 1.00 1.03 C ATOM 127 CD PRO A 28 10.194 -5.829 0.326 1.00 0.76 C ATOM 0 HA PRO A 28 9.155 -2.737 0.413 1.00 0.81 H new ATOM 0 HB2 PRO A 28 11.910 -2.986 0.288 1.00 0.91 H new ATOM 0 HB3 PRO A 28 11.038 -3.466 1.730 1.00 0.91 H new ATOM 0 HG2 PRO A 28 12.060 -5.182 -0.523 1.00 1.03 H new ATOM 0 HG3 PRO A 28 12.125 -5.479 1.203 1.00 1.03 H new ATOM 0 HD2 PRO A 28 10.245 -6.649 -0.390 1.00 0.76 H new ATOM 0 HD3 PRO A 28 9.921 -6.263 1.288 1.00 0.76 H new ATOM 135 N GLY A 29 10.531 -1.650 -1.506 1.00 0.67 N ATOM 136 CA GLY A 29 10.683 -0.945 -2.761 1.00 0.68 C ATOM 137 C GLY A 29 9.660 0.159 -2.881 1.00 0.65 C ATOM 138 O GLY A 29 9.970 1.330 -2.660 1.00 0.86 O ATOM 0 H GLY A 29 10.823 -1.121 -0.684 1.00 0.67 H new ATOM 0 HA2 GLY A 29 11.687 -0.526 -2.829 1.00 0.68 H new ATOM 0 HA3 GLY A 29 10.572 -1.642 -3.591 1.00 0.68 H new ATOM 142 N VAL A 30 8.432 -0.219 -3.188 1.00 0.69 N ATOM 143 CA VAL A 30 7.332 0.727 -3.215 1.00 0.68 C ATOM 144 C VAL A 30 6.846 0.973 -1.789 1.00 0.70 C ATOM 145 O VAL A 30 6.816 0.056 -0.970 1.00 0.75 O ATOM 146 CB VAL A 30 6.177 0.226 -4.125 1.00 0.70 C ATOM 147 CG1 VAL A 30 5.696 -1.158 -3.723 1.00 1.01 C ATOM 148 CG2 VAL A 30 5.008 1.195 -4.139 1.00 1.15 C ATOM 0 H VAL A 30 8.172 -1.177 -3.423 1.00 0.69 H new ATOM 0 HA VAL A 30 7.683 1.668 -3.639 1.00 0.68 H new ATOM 0 HB VAL A 30 6.588 0.166 -5.133 1.00 0.70 H new ATOM 0 HG11 VAL A 30 4.888 -1.469 -4.385 1.00 1.01 H new ATOM 0 HG12 VAL A 30 6.521 -1.866 -3.799 1.00 1.01 H new ATOM 0 HG13 VAL A 30 5.333 -1.133 -2.695 1.00 1.01 H new ATOM 0 HG21 VAL A 30 4.222 0.807 -4.787 1.00 1.15 H new ATOM 0 HG22 VAL A 30 4.620 1.311 -3.127 1.00 1.15 H new ATOM 0 HG23 VAL A 30 5.342 2.163 -4.513 1.00 1.15 H new ATOM 158 N ALA A 31 6.518 2.215 -1.478 1.00 0.71 N ATOM 159 CA ALA A 31 6.091 2.578 -0.141 1.00 0.73 C ATOM 160 C ALA A 31 4.730 3.242 -0.210 1.00 0.65 C ATOM 161 O ALA A 31 4.577 4.304 -0.814 1.00 0.76 O ATOM 162 CB ALA A 31 7.111 3.494 0.503 1.00 0.84 C ATOM 0 H ALA A 31 6.540 2.992 -2.139 1.00 0.71 H new ATOM 0 HA ALA A 31 6.012 1.681 0.473 1.00 0.73 H new ATOM 0 HB1 ALA A 31 6.779 3.760 1.507 1.00 0.84 H new ATOM 0 HB2 ALA A 31 8.072 2.984 0.562 1.00 0.84 H new ATOM 0 HB3 ALA A 31 7.217 4.399 -0.096 1.00 0.84 H new ATOM 168 N ILE A 32 3.759 2.615 0.419 1.00 0.57 N ATOM 169 CA ILE A 32 2.364 2.977 0.252 1.00 0.48 C ATOM 170 C ILE A 32 1.771 3.432 1.568 1.00 0.44 C ATOM 171 O ILE A 32 1.703 2.642 2.501 1.00 0.54 O ATOM 172 CB ILE A 32 1.571 1.743 -0.203 1.00 0.49 C ATOM 173 CG1 ILE A 32 2.335 0.983 -1.287 1.00 0.59 C ATOM 174 CG2 ILE A 32 0.201 2.147 -0.695 1.00 0.49 C ATOM 175 CD1 ILE A 32 1.821 -0.419 -1.513 1.00 0.67 C ATOM 0 H ILE A 32 3.913 1.838 1.062 1.00 0.57 H new ATOM 0 HA ILE A 32 2.307 3.780 -0.483 1.00 0.48 H new ATOM 0 HB ILE A 32 1.444 1.079 0.652 1.00 0.49 H new ATOM 0 HG12 ILE A 32 2.274 1.540 -2.222 1.00 0.59 H new ATOM 0 HG13 ILE A 32 3.389 0.936 -1.013 1.00 0.59 H new ATOM 0 HG21 ILE A 32 -0.347 1.260 -1.013 1.00 0.49 H new ATOM 0 HG22 ILE A 32 -0.344 2.641 0.110 1.00 0.49 H new ATOM 0 HG23 ILE A 32 0.304 2.832 -1.537 1.00 0.49 H new ATOM 0 HD11 ILE A 32 2.408 -0.900 -2.295 1.00 0.67 H new ATOM 0 HD12 ILE A 32 1.908 -0.992 -0.590 1.00 0.67 H new ATOM 0 HD13 ILE A 32 0.775 -0.378 -1.818 1.00 0.67 H new ATOM 187 N TYR A 33 1.313 4.668 1.674 1.00 0.38 N ATOM 188 CA TYR A 33 0.716 5.134 2.906 1.00 0.38 C ATOM 189 C TYR A 33 -0.724 5.517 2.602 1.00 0.34 C ATOM 190 O TYR A 33 -0.978 6.301 1.684 1.00 0.41 O ATOM 191 CB TYR A 33 1.485 6.356 3.435 1.00 0.54 C ATOM 192 CG TYR A 33 1.088 6.811 4.832 1.00 0.58 C ATOM 193 CD1 TYR A 33 -0.164 7.359 5.093 1.00 0.56 C ATOM 194 CD2 TYR A 33 1.982 6.704 5.888 1.00 1.01 C ATOM 195 CE1 TYR A 33 -0.512 7.780 6.365 1.00 0.64 C ATOM 196 CE2 TYR A 33 1.642 7.121 7.161 1.00 1.18 C ATOM 197 CZ TYR A 33 0.395 7.658 7.396 1.00 0.90 C ATOM 198 OH TYR A 33 0.058 8.078 8.665 1.00 1.11 O ATOM 0 H TYR A 33 1.344 5.360 0.925 1.00 0.38 H new ATOM 0 HA TYR A 33 0.753 4.355 3.667 1.00 0.38 H new ATOM 0 HB2 TYR A 33 2.550 6.124 3.434 1.00 0.54 H new ATOM 0 HB3 TYR A 33 1.338 7.186 2.744 1.00 0.54 H new ATOM 0 HD1 TYR A 33 -0.878 7.458 4.288 1.00 0.56 H new ATOM 0 HD2 TYR A 33 2.962 6.287 5.712 1.00 1.01 H new ATOM 0 HE1 TYR A 33 -1.489 8.202 6.549 1.00 0.64 H new ATOM 0 HE2 TYR A 33 2.352 7.026 7.969 1.00 1.18 H new ATOM 0 HH TYR A 33 -0.350 7.336 9.158 1.00 1.11 H new ATOM 208 N LEU A 34 -1.663 4.970 3.345 1.00 0.33 N ATOM 209 CA LEU A 34 -3.059 5.291 3.129 1.00 0.36 C ATOM 210 C LEU A 34 -3.561 6.118 4.294 1.00 0.31 C ATOM 211 O LEU A 34 -3.114 5.936 5.425 1.00 0.35 O ATOM 212 CB LEU A 34 -3.918 4.029 2.983 1.00 0.45 C ATOM 213 CG LEU A 34 -3.437 3.015 1.944 1.00 0.64 C ATOM 214 CD1 LEU A 34 -2.444 2.039 2.555 1.00 1.18 C ATOM 215 CD2 LEU A 34 -4.622 2.277 1.347 1.00 1.06 C ATOM 0 H LEU A 34 -1.488 4.306 4.099 1.00 0.33 H new ATOM 0 HA LEU A 34 -3.140 5.854 2.199 1.00 0.36 H new ATOM 0 HB2 LEU A 34 -3.969 3.532 3.952 1.00 0.45 H new ATOM 0 HB3 LEU A 34 -4.933 4.331 2.726 1.00 0.45 H new ATOM 0 HG LEU A 34 -2.925 3.554 1.147 1.00 0.64 H new ATOM 0 HD11 LEU A 34 -2.118 1.329 1.795 1.00 1.18 H new ATOM 0 HD12 LEU A 34 -1.581 2.587 2.934 1.00 1.18 H new ATOM 0 HD13 LEU A 34 -2.920 1.501 3.374 1.00 1.18 H new ATOM 0 HD21 LEU A 34 -4.268 1.558 0.609 1.00 1.06 H new ATOM 0 HD22 LEU A 34 -5.159 1.752 2.137 1.00 1.06 H new ATOM 0 HD23 LEU A 34 -5.291 2.991 0.866 1.00 1.06 H new ATOM 227 N VAL A 35 -4.474 7.031 4.014 1.00 0.31 N ATOM 228 CA VAL A 35 -5.022 7.889 5.047 1.00 0.34 C ATOM 229 C VAL A 35 -5.731 7.062 6.114 1.00 0.46 C ATOM 230 O VAL A 35 -6.555 6.209 5.810 1.00 0.72 O ATOM 231 CB VAL A 35 -5.989 8.933 4.458 1.00 0.42 C ATOM 232 CG1 VAL A 35 -5.254 9.852 3.503 1.00 0.90 C ATOM 233 CG2 VAL A 35 -7.155 8.262 3.753 1.00 1.39 C ATOM 0 H VAL A 35 -4.851 7.197 3.081 1.00 0.31 H new ATOM 0 HA VAL A 35 -4.189 8.420 5.507 1.00 0.34 H new ATOM 0 HB VAL A 35 -6.388 9.526 5.281 1.00 0.42 H new ATOM 0 HG11 VAL A 35 -5.950 10.584 3.095 1.00 0.90 H new ATOM 0 HG12 VAL A 35 -4.456 10.368 4.037 1.00 0.90 H new ATOM 0 HG13 VAL A 35 -4.826 9.265 2.690 1.00 0.90 H new ATOM 0 HG21 VAL A 35 -7.821 9.023 3.347 1.00 1.39 H new ATOM 0 HG22 VAL A 35 -6.780 7.638 2.942 1.00 1.39 H new ATOM 0 HG23 VAL A 35 -7.702 7.642 4.464 1.00 1.39 H new ATOM 243 N GLU A 36 -5.361 7.287 7.360 1.00 0.59 N ATOM 244 CA GLU A 36 -5.910 6.526 8.476 1.00 0.77 C ATOM 245 C GLU A 36 -7.196 7.151 9.039 1.00 0.71 C ATOM 246 O GLU A 36 -8.220 6.479 9.113 1.00 0.79 O ATOM 247 CB GLU A 36 -4.858 6.377 9.572 1.00 1.03 C ATOM 248 CG GLU A 36 -3.609 5.641 9.114 1.00 1.76 C ATOM 249 CD GLU A 36 -2.486 5.732 10.121 1.00 1.96 C ATOM 250 OE1 GLU A 36 -1.700 6.700 10.061 1.00 2.34 O ATOM 251 OE2 GLU A 36 -2.376 4.823 10.973 1.00 2.24 O ATOM 0 H GLU A 36 -4.678 7.995 7.630 1.00 0.59 H new ATOM 0 HA GLU A 36 -6.181 5.540 8.098 1.00 0.77 H new ATOM 0 HB2 GLU A 36 -4.576 7.367 9.932 1.00 1.03 H new ATOM 0 HB3 GLU A 36 -5.296 5.844 10.416 1.00 1.03 H new ATOM 0 HG2 GLU A 36 -3.852 4.593 8.938 1.00 1.76 H new ATOM 0 HG3 GLU A 36 -3.275 6.055 8.163 1.00 1.76 H new ATOM 258 N PRO A 37 -7.182 8.445 9.436 1.00 0.70 N ATOM 259 CA PRO A 37 -8.335 9.071 10.104 1.00 0.83 C ATOM 260 C PRO A 37 -9.506 9.377 9.163 1.00 0.90 C ATOM 261 O PRO A 37 -10.549 9.868 9.595 1.00 1.46 O ATOM 262 CB PRO A 37 -7.753 10.370 10.657 1.00 0.91 C ATOM 263 CG PRO A 37 -6.641 10.711 9.731 1.00 0.91 C ATOM 264 CD PRO A 37 -6.057 9.399 9.289 1.00 0.73 C ATOM 0 HA PRO A 37 -8.761 8.406 10.855 1.00 0.83 H new ATOM 0 HB2 PRO A 37 -8.503 11.160 10.683 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -7.392 10.239 11.677 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -7.005 11.284 8.878 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -5.891 11.324 10.230 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -5.703 9.445 8.259 1.00 0.73 H new ATOM 0 HD3 PRO A 37 -5.205 9.112 9.906 1.00 0.73 H new ATOM 272 N ARG A 38 -9.336 9.081 7.882 1.00 0.89 N ATOM 273 CA ARG A 38 -10.355 9.383 6.884 1.00 0.93 C ATOM 274 C ARG A 38 -10.368 8.291 5.815 1.00 0.92 C ATOM 275 O ARG A 38 -10.076 8.538 4.644 1.00 1.42 O ATOM 276 CB ARG A 38 -10.077 10.768 6.275 1.00 0.99 C ATOM 277 CG ARG A 38 -11.152 11.283 5.327 1.00 1.31 C ATOM 278 CD ARG A 38 -10.874 12.724 4.920 1.00 1.06 C ATOM 279 NE ARG A 38 -11.715 13.165 3.805 1.00 1.41 N ATOM 280 CZ ARG A 38 -11.724 14.407 3.318 1.00 1.91 C ATOM 281 NH1 ARG A 38 -11.006 15.364 3.894 1.00 2.37 N ATOM 282 NH2 ARG A 38 -12.468 14.697 2.259 1.00 2.60 N ATOM 0 H ARG A 38 -8.501 8.631 7.508 1.00 0.89 H new ATOM 0 HA ARG A 38 -11.341 9.407 7.349 1.00 0.93 H new ATOM 0 HB2 ARG A 38 -9.954 11.486 7.086 1.00 0.99 H new ATOM 0 HB3 ARG A 38 -9.129 10.728 5.738 1.00 0.99 H new ATOM 0 HG2 ARG A 38 -11.192 10.652 4.439 1.00 1.31 H new ATOM 0 HG3 ARG A 38 -12.128 11.219 5.808 1.00 1.31 H new ATOM 0 HD2 ARG A 38 -11.039 13.378 5.776 1.00 1.06 H new ATOM 0 HD3 ARG A 38 -9.825 12.823 4.641 1.00 1.06 H new ATOM 0 HE ARG A 38 -12.334 12.478 3.373 1.00 1.41 H new ATOM 0 HH11 ARG A 38 -10.441 15.153 4.716 1.00 2.37 H new ATOM 0 HH12 ARG A 38 -11.020 16.310 3.514 1.00 2.37 H new ATOM 0 HH21 ARG A 38 -13.032 13.971 1.818 1.00 2.60 H new ATOM 0 HH22 ARG A 38 -12.476 15.646 1.886 1.00 2.60 H new ATOM 296 N MET A 39 -10.702 7.076 6.233 1.00 0.73 N ATOM 297 CA MET A 39 -10.656 5.912 5.359 1.00 0.74 C ATOM 298 C MET A 39 -11.622 4.843 5.842 1.00 0.74 C ATOM 299 O MET A 39 -11.687 4.550 7.039 1.00 1.05 O ATOM 300 CB MET A 39 -9.241 5.327 5.326 1.00 0.80 C ATOM 301 CG MET A 39 -9.110 4.050 4.514 1.00 1.19 C ATOM 302 SD MET A 39 -9.332 4.312 2.743 1.00 1.27 S ATOM 303 CE MET A 39 -7.802 5.135 2.308 1.00 0.61 C ATOM 0 H MET A 39 -11.011 6.871 7.183 1.00 0.73 H new ATOM 0 HA MET A 39 -10.943 6.232 4.357 1.00 0.74 H new ATOM 0 HB2 MET A 39 -8.561 6.075 4.917 1.00 0.80 H new ATOM 0 HB3 MET A 39 -8.919 5.128 6.348 1.00 0.80 H new ATOM 0 HG2 MET A 39 -8.127 3.614 4.690 1.00 1.19 H new ATOM 0 HG3 MET A 39 -9.847 3.327 4.864 1.00 1.19 H new ATOM 0 HE1 MET A 39 -8.025 6.089 1.830 1.00 0.61 H new ATOM 0 HE2 MET A 39 -7.214 5.310 3.209 1.00 0.61 H new ATOM 0 HE3 MET A 39 -7.234 4.508 1.620 1.00 0.61 H new ATOM 313 N GLY A 40 -12.374 4.280 4.911 1.00 1.32 N ATOM 314 CA GLY A 40 -13.252 3.169 5.221 1.00 1.52 C ATOM 315 C GLY A 40 -12.485 1.952 5.701 1.00 1.39 C ATOM 316 O GLY A 40 -11.727 1.346 4.942 1.00 1.36 O ATOM 0 H GLY A 40 -12.393 4.575 3.935 1.00 1.32 H new ATOM 0 HA2 GLY A 40 -13.964 3.474 5.988 1.00 1.52 H new ATOM 0 HA3 GLY A 40 -13.830 2.906 4.335 1.00 1.52 H new ATOM 320 N ARG A 41 -12.686 1.607 6.968 1.00 1.34 N ATOM 321 CA ARG A 41 -11.975 0.484 7.583 1.00 1.26 C ATOM 322 C ARG A 41 -12.319 -0.824 6.875 1.00 1.15 C ATOM 323 O ARG A 41 -11.512 -1.752 6.850 1.00 1.03 O ATOM 324 CB ARG A 41 -12.262 0.360 9.088 1.00 1.42 C ATOM 325 CG ARG A 41 -13.566 -0.343 9.435 1.00 1.79 C ATOM 326 CD ARG A 41 -13.489 -0.969 10.818 1.00 1.72 C ATOM 327 NE ARG A 41 -14.730 -1.640 11.194 1.00 2.20 N ATOM 328 CZ ARG A 41 -14.790 -2.845 11.764 1.00 2.49 C ATOM 329 NH1 ARG A 41 -13.689 -3.573 11.923 1.00 2.51 N ATOM 330 NH2 ARG A 41 -15.962 -3.329 12.157 1.00 3.20 N ATOM 0 H ARG A 41 -13.335 2.087 7.592 1.00 1.34 H new ATOM 0 HA ARG A 41 -10.910 0.687 7.470 1.00 1.26 H new ATOM 0 HB2 ARG A 41 -11.439 -0.180 9.557 1.00 1.42 H new ATOM 0 HB3 ARG A 41 -12.277 1.359 9.524 1.00 1.42 H new ATOM 0 HG2 ARG A 41 -14.390 0.370 9.399 1.00 1.79 H new ATOM 0 HG3 ARG A 41 -13.778 -1.113 8.693 1.00 1.79 H new ATOM 0 HD2 ARG A 41 -12.669 -1.686 10.844 1.00 1.72 H new ATOM 0 HD3 ARG A 41 -13.260 -0.196 11.552 1.00 1.72 H new ATOM 0 HE ARG A 41 -15.609 -1.156 11.009 1.00 2.20 H new ATOM 0 HH11 ARG A 41 -12.789 -3.211 11.608 1.00 2.51 H new ATOM 0 HH12 ARG A 41 -13.745 -4.493 12.360 1.00 2.51 H new ATOM 0 HH21 ARG A 41 -16.811 -2.780 12.023 1.00 3.20 H new ATOM 0 HH22 ARG A 41 -16.013 -4.250 12.593 1.00 3.20 H new ATOM 344 N SER A 42 -13.503 -0.879 6.281 1.00 1.23 N ATOM 345 CA SER A 42 -13.937 -2.049 5.542 1.00 1.19 C ATOM 346 C SER A 42 -13.022 -2.301 4.345 1.00 1.02 C ATOM 347 O SER A 42 -12.417 -3.372 4.224 1.00 0.94 O ATOM 348 CB SER A 42 -15.381 -1.846 5.084 1.00 1.38 C ATOM 349 OG SER A 42 -15.556 -0.532 4.573 1.00 2.00 O ATOM 0 H SER A 42 -14.183 -0.119 6.299 1.00 1.23 H new ATOM 0 HA SER A 42 -13.884 -2.924 6.190 1.00 1.19 H new ATOM 0 HB2 SER A 42 -15.633 -2.578 4.317 1.00 1.38 H new ATOM 0 HB3 SER A 42 -16.061 -2.012 5.919 1.00 1.38 H new ATOM 0 HG SER A 42 -16.484 -0.415 4.282 1.00 2.00 H new ATOM 355 N ARG A 43 -12.899 -1.294 3.485 1.00 1.01 N ATOM 356 CA ARG A 43 -12.057 -1.401 2.302 1.00 0.91 C ATOM 357 C ARG A 43 -10.584 -1.347 2.703 1.00 0.74 C ATOM 358 O ARG A 43 -9.741 -1.975 2.068 1.00 0.60 O ATOM 359 CB ARG A 43 -12.398 -0.291 1.290 1.00 1.08 C ATOM 360 CG ARG A 43 -11.950 -0.585 -0.146 1.00 1.13 C ATOM 361 CD ARG A 43 -10.467 -0.301 -0.375 1.00 1.08 C ATOM 362 NE ARG A 43 -10.207 1.114 -0.657 1.00 0.95 N ATOM 363 CZ ARG A 43 -9.958 2.031 0.271 1.00 1.74 C ATOM 364 NH1 ARG A 43 -9.864 1.686 1.547 1.00 2.48 N ATOM 365 NH2 ARG A 43 -9.786 3.294 -0.082 1.00 2.23 N ATOM 0 H ARG A 43 -13.372 -0.396 3.587 1.00 1.01 H new ATOM 0 HA ARG A 43 -12.247 -2.359 1.819 1.00 0.91 H new ATOM 0 HB2 ARG A 43 -13.476 -0.129 1.296 1.00 1.08 H new ATOM 0 HB3 ARG A 43 -11.935 0.639 1.619 1.00 1.08 H new ATOM 0 HG2 ARG A 43 -12.155 -1.630 -0.379 1.00 1.13 H new ATOM 0 HG3 ARG A 43 -12.541 0.017 -0.836 1.00 1.13 H new ATOM 0 HD2 ARG A 43 -9.901 -0.603 0.507 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -10.108 -0.907 -1.207 1.00 1.08 H new ATOM 0 HE ARG A 43 -10.218 1.415 -1.632 1.00 0.95 H new ATOM 0 HH11 ARG A 43 -9.983 0.711 1.822 1.00 2.48 H new ATOM 0 HH12 ARG A 43 -9.673 2.395 2.254 1.00 2.48 H new ATOM 0 HH21 ARG A 43 -9.845 3.561 -1.065 1.00 2.23 H new ATOM 0 HH22 ARG A 43 -9.595 4.001 0.628 1.00 2.23 H new ATOM 379 N ARG A 44 -10.272 -0.596 3.760 1.00 0.81 N ATOM 380 CA ARG A 44 -8.899 -0.516 4.252 1.00 0.77 C ATOM 381 C ARG A 44 -8.400 -1.895 4.647 1.00 0.68 C ATOM 382 O ARG A 44 -7.367 -2.345 4.170 1.00 0.62 O ATOM 383 CB ARG A 44 -8.783 0.429 5.447 1.00 0.95 C ATOM 384 CG ARG A 44 -7.346 0.681 5.882 1.00 0.98 C ATOM 385 CD ARG A 44 -7.266 1.774 6.934 1.00 1.46 C ATOM 386 NE ARG A 44 -8.020 1.443 8.141 1.00 1.62 N ATOM 387 CZ ARG A 44 -8.504 2.354 8.985 1.00 2.09 C ATOM 388 NH1 ARG A 44 -8.353 3.648 8.728 1.00 2.72 N ATOM 389 NH2 ARG A 44 -9.143 1.977 10.082 1.00 2.57 N ATOM 0 H ARG A 44 -10.945 -0.040 4.287 1.00 0.81 H new ATOM 0 HA ARG A 44 -8.285 -0.121 3.443 1.00 0.77 H new ATOM 0 HB2 ARG A 44 -9.250 1.381 5.195 1.00 0.95 H new ATOM 0 HB3 ARG A 44 -9.341 0.012 6.286 1.00 0.95 H new ATOM 0 HG2 ARG A 44 -6.918 -0.240 6.279 1.00 0.98 H new ATOM 0 HG3 ARG A 44 -6.747 0.963 5.016 1.00 0.98 H new ATOM 0 HD2 ARG A 44 -6.222 1.946 7.197 1.00 1.46 H new ATOM 0 HD3 ARG A 44 -7.647 2.706 6.515 1.00 1.46 H new ATOM 0 HE ARG A 44 -8.185 0.458 8.350 1.00 1.62 H new ATOM 0 HH11 ARG A 44 -7.866 3.947 7.883 1.00 2.72 H new ATOM 0 HH12 ARG A 44 -8.724 4.343 9.375 1.00 2.72 H new ATOM 0 HH21 ARG A 44 -9.267 0.985 10.285 1.00 2.57 H new ATOM 0 HH22 ARG A 44 -9.511 2.679 10.724 1.00 2.57 H new ATOM 403 N ALA A 45 -9.153 -2.573 5.501 1.00 0.82 N ATOM 404 CA ALA A 45 -8.770 -3.900 5.954 1.00 0.77 C ATOM 405 C ALA A 45 -8.698 -4.863 4.775 1.00 0.61 C ATOM 406 O ALA A 45 -7.767 -5.663 4.667 1.00 0.58 O ATOM 407 CB ALA A 45 -9.745 -4.408 7.005 1.00 0.91 C ATOM 0 H ALA A 45 -10.029 -2.227 5.892 1.00 0.82 H new ATOM 0 HA ALA A 45 -7.781 -3.839 6.409 1.00 0.77 H new ATOM 0 HB1 ALA A 45 -9.442 -5.403 7.332 1.00 0.91 H new ATOM 0 HB2 ALA A 45 -9.746 -3.730 7.858 1.00 0.91 H new ATOM 0 HB3 ALA A 45 -10.747 -4.456 6.579 1.00 0.91 H new ATOM 413 N PHE A 46 -9.693 -4.768 3.898 1.00 0.63 N ATOM 414 CA PHE A 46 -9.759 -5.577 2.697 1.00 0.57 C ATOM 415 C PHE A 46 -8.481 -5.458 1.857 1.00 0.44 C ATOM 416 O PHE A 46 -7.980 -6.458 1.352 1.00 0.44 O ATOM 417 CB PHE A 46 -11.023 -5.177 1.921 1.00 0.69 C ATOM 418 CG PHE A 46 -10.868 -5.093 0.435 1.00 0.64 C ATOM 419 CD1 PHE A 46 -10.438 -3.922 -0.147 1.00 0.57 C ATOM 420 CD2 PHE A 46 -11.171 -6.171 -0.374 1.00 0.74 C ATOM 421 CE1 PHE A 46 -10.299 -3.819 -1.506 1.00 0.61 C ATOM 422 CE2 PHE A 46 -11.040 -6.078 -1.743 1.00 0.78 C ATOM 423 CZ PHE A 46 -10.601 -4.899 -2.313 1.00 0.71 C ATOM 0 H PHE A 46 -10.476 -4.124 4.006 1.00 0.63 H new ATOM 0 HA PHE A 46 -9.825 -6.632 2.961 1.00 0.57 H new ATOM 0 HB2 PHE A 46 -11.810 -5.897 2.146 1.00 0.69 H new ATOM 0 HB3 PHE A 46 -11.362 -4.209 2.289 1.00 0.69 H new ATOM 0 HD1 PHE A 46 -10.207 -3.072 0.477 1.00 0.57 H new ATOM 0 HD2 PHE A 46 -11.513 -7.094 0.070 1.00 0.74 H new ATOM 0 HE1 PHE A 46 -9.954 -2.895 -1.946 1.00 0.61 H new ATOM 0 HE2 PHE A 46 -11.280 -6.925 -2.368 1.00 0.78 H new ATOM 0 HZ PHE A 46 -10.494 -4.822 -3.385 1.00 0.71 H new ATOM 433 N LEU A 47 -7.933 -4.252 1.743 1.00 0.39 N ATOM 434 CA LEU A 47 -6.706 -4.048 0.976 1.00 0.35 C ATOM 435 C LEU A 47 -5.494 -4.379 1.833 1.00 0.38 C ATOM 436 O LEU A 47 -4.482 -4.841 1.326 1.00 0.47 O ATOM 437 CB LEU A 47 -6.622 -2.607 0.459 1.00 0.36 C ATOM 438 CG LEU A 47 -6.345 -1.547 1.526 1.00 0.38 C ATOM 439 CD1 LEU A 47 -4.853 -1.255 1.631 1.00 0.44 C ATOM 440 CD2 LEU A 47 -7.122 -0.275 1.231 1.00 0.42 C ATOM 0 H LEU A 47 -8.314 -3.407 2.168 1.00 0.39 H new ATOM 0 HA LEU A 47 -6.720 -4.716 0.115 1.00 0.35 H new ATOM 0 HB2 LEU A 47 -5.837 -2.554 -0.295 1.00 0.36 H new ATOM 0 HB3 LEU A 47 -7.560 -2.362 -0.039 1.00 0.36 H new ATOM 0 HG LEU A 47 -6.679 -1.939 2.487 1.00 0.38 H new ATOM 0 HD11 LEU A 47 -4.683 -0.498 2.397 1.00 0.44 H new ATOM 0 HD12 LEU A 47 -4.322 -2.168 1.899 1.00 0.44 H new ATOM 0 HD13 LEU A 47 -4.485 -0.890 0.672 1.00 0.44 H new ATOM 0 HD21 LEU A 47 -6.912 0.467 2.001 1.00 0.42 H new ATOM 0 HD22 LEU A 47 -6.823 0.117 0.259 1.00 0.42 H new ATOM 0 HD23 LEU A 47 -8.190 -0.495 1.221 1.00 0.42 H new ATOM 452 N THR A 48 -5.614 -4.151 3.136 1.00 0.40 N ATOM 453 CA THR A 48 -4.519 -4.392 4.062 1.00 0.48 C ATOM 454 C THR A 48 -4.100 -5.857 4.018 1.00 0.48 C ATOM 455 O THR A 48 -2.924 -6.175 3.842 1.00 0.57 O ATOM 456 CB THR A 48 -4.921 -3.993 5.499 1.00 0.59 C ATOM 457 OG1 THR A 48 -5.204 -2.590 5.559 1.00 0.64 O ATOM 458 CG2 THR A 48 -3.825 -4.318 6.494 1.00 0.69 C ATOM 0 H THR A 48 -6.464 -3.798 3.575 1.00 0.40 H new ATOM 0 HA THR A 48 -3.672 -3.776 3.759 1.00 0.48 H new ATOM 0 HB THR A 48 -5.810 -4.566 5.761 1.00 0.59 H new ATOM 0 HG1 THR A 48 -5.875 -2.362 4.882 1.00 0.64 H new ATOM 0 HG21 THR A 48 -4.143 -4.024 7.494 1.00 0.69 H new ATOM 0 HG22 THR A 48 -3.625 -5.389 6.477 1.00 0.69 H new ATOM 0 HG23 THR A 48 -2.918 -3.775 6.227 1.00 0.69 H new ATOM 466 N GLY A 49 -5.075 -6.747 4.152 1.00 0.45 N ATOM 467 CA GLY A 49 -4.792 -8.164 4.075 1.00 0.50 C ATOM 468 C GLY A 49 -4.406 -8.584 2.674 1.00 0.42 C ATOM 469 O GLY A 49 -3.433 -9.317 2.483 1.00 0.42 O ATOM 0 H GLY A 49 -6.055 -6.512 4.312 1.00 0.45 H new ATOM 0 HA2 GLY A 49 -3.985 -8.411 4.764 1.00 0.50 H new ATOM 0 HA3 GLY A 49 -5.668 -8.728 4.395 1.00 0.50 H new ATOM 473 N LEU A 50 -5.164 -8.107 1.692 1.00 0.43 N ATOM 474 CA LEU A 50 -4.911 -8.460 0.295 1.00 0.42 C ATOM 475 C LEU A 50 -3.520 -8.036 -0.155 1.00 0.41 C ATOM 476 O LEU A 50 -2.735 -8.864 -0.603 1.00 0.46 O ATOM 477 CB LEU A 50 -5.957 -7.852 -0.636 1.00 0.44 C ATOM 478 CG LEU A 50 -7.284 -8.605 -0.705 1.00 0.46 C ATOM 479 CD1 LEU A 50 -8.201 -7.958 -1.725 1.00 0.58 C ATOM 480 CD2 LEU A 50 -7.054 -10.068 -1.052 1.00 0.48 C ATOM 0 H LEU A 50 -5.955 -7.478 1.834 1.00 0.43 H new ATOM 0 HA LEU A 50 -4.977 -9.546 0.236 1.00 0.42 H new ATOM 0 HB2 LEU A 50 -6.155 -6.829 -0.315 1.00 0.44 H new ATOM 0 HB3 LEU A 50 -5.537 -7.796 -1.640 1.00 0.44 H new ATOM 0 HG LEU A 50 -7.760 -8.557 0.275 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -9.144 -8.504 -1.765 1.00 0.58 H new ATOM 0 HD12 LEU A 50 -8.392 -6.924 -1.438 1.00 0.58 H new ATOM 0 HD13 LEU A 50 -7.727 -7.980 -2.706 1.00 0.58 H new ATOM 0 HD21 LEU A 50 -8.012 -10.586 -1.096 1.00 0.48 H new ATOM 0 HD22 LEU A 50 -6.558 -10.139 -2.020 1.00 0.48 H new ATOM 0 HD23 LEU A 50 -6.427 -10.529 -0.289 1.00 0.48 H new ATOM 492 N ALA A 51 -3.219 -6.753 -0.024 1.00 0.38 N ATOM 493 CA ALA A 51 -1.966 -6.202 -0.519 1.00 0.39 C ATOM 494 C ALA A 51 -0.749 -6.832 0.159 1.00 0.43 C ATOM 495 O ALA A 51 0.269 -7.081 -0.494 1.00 0.47 O ATOM 496 CB ALA A 51 -1.961 -4.693 -0.357 1.00 0.38 C ATOM 0 H ALA A 51 -3.830 -6.070 0.424 1.00 0.38 H new ATOM 0 HA ALA A 51 -1.893 -6.445 -1.579 1.00 0.39 H new ATOM 0 HB1 ALA A 51 -1.019 -4.290 -0.730 1.00 0.38 H new ATOM 0 HB2 ALA A 51 -2.789 -4.264 -0.922 1.00 0.38 H new ATOM 0 HB3 ALA A 51 -2.071 -4.440 0.697 1.00 0.38 H new ATOM 502 N ARG A 52 -0.854 -7.105 1.459 1.00 0.45 N ATOM 503 CA ARG A 52 0.225 -7.781 2.179 1.00 0.51 C ATOM 504 C ARG A 52 0.424 -9.195 1.639 1.00 0.60 C ATOM 505 O ARG A 52 1.541 -9.704 1.597 1.00 0.75 O ATOM 506 CB ARG A 52 -0.061 -7.832 3.683 1.00 0.54 C ATOM 507 CG ARG A 52 0.126 -6.500 4.398 1.00 1.12 C ATOM 508 CD ARG A 52 -0.133 -6.637 5.892 1.00 1.04 C ATOM 509 NE ARG A 52 0.033 -5.370 6.607 1.00 1.51 N ATOM 510 CZ ARG A 52 -0.618 -5.063 7.729 1.00 1.87 C ATOM 511 NH1 ARG A 52 -1.464 -5.938 8.261 1.00 1.75 N ATOM 512 NH2 ARG A 52 -0.418 -3.892 8.323 1.00 2.79 N ATOM 0 H ARG A 52 -1.666 -6.872 2.030 1.00 0.45 H new ATOM 0 HA ARG A 52 1.139 -7.208 2.023 1.00 0.51 H new ATOM 0 HB2 ARG A 52 -1.085 -8.173 3.836 1.00 0.54 H new ATOM 0 HB3 ARG A 52 0.594 -8.573 4.141 1.00 0.54 H new ATOM 0 HG2 ARG A 52 1.140 -6.135 4.234 1.00 1.12 H new ATOM 0 HG3 ARG A 52 -0.552 -5.759 3.975 1.00 1.12 H new ATOM 0 HD2 ARG A 52 -1.145 -7.010 6.050 1.00 1.04 H new ATOM 0 HD3 ARG A 52 0.548 -7.378 6.309 1.00 1.04 H new ATOM 0 HE ARG A 52 0.684 -4.684 6.225 1.00 1.51 H new ATOM 0 HH11 ARG A 52 -1.614 -6.841 7.811 1.00 1.75 H new ATOM 0 HH12 ARG A 52 -1.964 -5.707 9.119 1.00 1.75 H new ATOM 0 HH21 ARG A 52 0.237 -3.221 7.921 1.00 2.79 H new ATOM 0 HH22 ARG A 52 -0.919 -3.663 9.181 1.00 2.79 H new ATOM 526 N SER A 53 -0.664 -9.822 1.216 1.00 0.54 N ATOM 527 CA SER A 53 -0.598 -11.165 0.664 1.00 0.61 C ATOM 528 C SER A 53 -0.224 -11.131 -0.822 1.00 0.61 C ATOM 529 O SER A 53 0.082 -12.164 -1.419 1.00 0.69 O ATOM 530 CB SER A 53 -1.940 -11.878 0.856 1.00 0.63 C ATOM 531 OG SER A 53 -2.325 -11.879 2.226 1.00 1.36 O ATOM 0 H SER A 53 -1.602 -9.422 1.245 1.00 0.54 H new ATOM 0 HA SER A 53 0.178 -11.716 1.196 1.00 0.61 H new ATOM 0 HB2 SER A 53 -2.707 -11.384 0.259 1.00 0.63 H new ATOM 0 HB3 SER A 53 -1.866 -12.904 0.494 1.00 0.63 H new ATOM 0 HG SER A 53 -2.735 -11.018 2.451 1.00 1.36 H new ATOM 537 N LYS A 54 -0.242 -9.940 -1.410 1.00 0.57 N ATOM 538 CA LYS A 54 0.058 -9.779 -2.827 1.00 0.60 C ATOM 539 C LYS A 54 1.541 -9.536 -3.064 1.00 0.63 C ATOM 540 O LYS A 54 2.217 -10.327 -3.726 1.00 0.76 O ATOM 541 CB LYS A 54 -0.738 -8.613 -3.420 1.00 0.56 C ATOM 542 CG LYS A 54 -2.212 -8.907 -3.627 1.00 0.54 C ATOM 543 CD LYS A 54 -2.418 -9.914 -4.740 1.00 0.60 C ATOM 544 CE LYS A 54 -3.890 -10.175 -4.991 1.00 0.64 C ATOM 545 NZ LYS A 54 -4.101 -11.168 -6.077 1.00 0.83 N ATOM 0 H LYS A 54 -0.462 -9.070 -0.925 1.00 0.57 H new ATOM 0 HA LYS A 54 -0.228 -10.709 -3.319 1.00 0.60 H new ATOM 0 HB2 LYS A 54 -0.640 -7.749 -2.762 1.00 0.56 H new ATOM 0 HB3 LYS A 54 -0.296 -8.336 -4.377 1.00 0.56 H new ATOM 0 HG2 LYS A 54 -2.643 -9.290 -2.702 1.00 0.54 H new ATOM 0 HG3 LYS A 54 -2.740 -7.984 -3.866 1.00 0.54 H new ATOM 0 HD2 LYS A 54 -1.952 -9.547 -5.654 1.00 0.60 H new ATOM 0 HD3 LYS A 54 -1.921 -10.849 -4.482 1.00 0.60 H new ATOM 0 HE2 LYS A 54 -4.356 -10.536 -4.074 1.00 0.64 H new ATOM 0 HE3 LYS A 54 -4.385 -9.240 -5.253 1.00 0.64 H new ATOM 0 HZ1 LYS A 54 -5.121 -11.318 -6.217 1.00 0.83 H new ATOM 0 HZ2 LYS A 54 -3.679 -10.813 -6.959 1.00 0.83 H new ATOM 0 HZ3 LYS A 54 -3.651 -12.069 -5.816 1.00 0.83 H new ATOM 559 N GLY A 55 2.042 -8.436 -2.523 1.00 0.56 N ATOM 560 CA GLY A 55 3.404 -8.036 -2.798 1.00 0.61 C ATOM 561 C GLY A 55 3.608 -6.550 -2.627 1.00 0.54 C ATOM 562 O GLY A 55 3.994 -5.864 -3.570 1.00 0.57 O ATOM 0 H GLY A 55 1.529 -7.814 -1.899 1.00 0.56 H new ATOM 0 HA2 GLY A 55 4.080 -8.573 -2.132 1.00 0.61 H new ATOM 0 HA3 GLY A 55 3.666 -8.322 -3.817 1.00 0.61 H new ATOM 566 N PHE A 56 3.347 -6.037 -1.433 1.00 0.50 N ATOM 567 CA PHE A 56 3.394 -4.596 -1.220 1.00 0.47 C ATOM 568 C PHE A 56 3.979 -4.229 0.138 1.00 0.42 C ATOM 569 O PHE A 56 3.864 -4.980 1.111 1.00 0.65 O ATOM 570 CB PHE A 56 1.994 -3.995 -1.365 1.00 0.66 C ATOM 571 CG PHE A 56 1.454 -4.081 -2.763 1.00 0.56 C ATOM 572 CD1 PHE A 56 1.857 -3.179 -3.732 1.00 0.61 C ATOM 573 CD2 PHE A 56 0.549 -5.069 -3.110 1.00 0.53 C ATOM 574 CE1 PHE A 56 1.368 -3.260 -5.018 1.00 0.58 C ATOM 575 CE2 PHE A 56 0.058 -5.157 -4.396 1.00 0.48 C ATOM 576 CZ PHE A 56 0.466 -4.252 -5.349 1.00 0.47 C ATOM 0 H PHE A 56 3.104 -6.586 -0.608 1.00 0.50 H new ATOM 0 HA PHE A 56 4.053 -4.180 -1.982 1.00 0.47 H new ATOM 0 HB2 PHE A 56 1.313 -4.510 -0.687 1.00 0.66 H new ATOM 0 HB3 PHE A 56 2.021 -2.950 -1.057 1.00 0.66 H new ATOM 0 HD1 PHE A 56 2.563 -2.402 -3.478 1.00 0.61 H new ATOM 0 HD2 PHE A 56 0.223 -5.780 -2.365 1.00 0.53 H new ATOM 0 HE1 PHE A 56 1.689 -2.549 -5.765 1.00 0.58 H new ATOM 0 HE2 PHE A 56 -0.645 -5.935 -4.655 1.00 0.48 H new ATOM 0 HZ PHE A 56 0.081 -4.318 -6.356 1.00 0.47 H new ATOM 586 N ARG A 57 4.642 -3.084 0.178 1.00 0.46 N ATOM 587 CA ARG A 57 5.155 -2.531 1.416 1.00 0.68 C ATOM 588 C ARG A 57 4.367 -1.301 1.797 1.00 0.79 C ATOM 589 O ARG A 57 4.512 -0.233 1.196 1.00 1.17 O ATOM 590 CB ARG A 57 6.621 -2.161 1.272 1.00 0.93 C ATOM 591 CG ARG A 57 7.295 -1.714 2.558 1.00 0.72 C ATOM 592 CD ARG A 57 7.562 -0.217 2.567 1.00 1.01 C ATOM 593 NE ARG A 57 8.400 0.196 1.442 1.00 1.72 N ATOM 594 CZ ARG A 57 9.721 0.373 1.524 1.00 2.00 C ATOM 595 NH1 ARG A 57 10.369 0.063 2.642 1.00 1.80 N ATOM 596 NH2 ARG A 57 10.397 0.830 0.475 1.00 3.00 N ATOM 0 H ARG A 57 4.838 -2.515 -0.646 1.00 0.46 H new ATOM 0 HA ARG A 57 5.055 -3.288 2.194 1.00 0.68 H new ATOM 0 HB2 ARG A 57 7.161 -3.021 0.875 1.00 0.93 H new ATOM 0 HB3 ARG A 57 6.709 -1.362 0.536 1.00 0.93 H new ATOM 0 HG2 ARG A 57 6.665 -1.976 3.408 1.00 0.72 H new ATOM 0 HG3 ARG A 57 8.235 -2.251 2.681 1.00 0.72 H new ATOM 0 HD2 ARG A 57 6.615 0.321 2.530 1.00 1.01 H new ATOM 0 HD3 ARG A 57 8.049 0.059 3.502 1.00 1.01 H new ATOM 0 HE ARG A 57 7.949 0.358 0.542 1.00 1.72 H new ATOM 0 HH11 ARG A 57 9.857 -0.311 3.441 1.00 1.80 H new ATOM 0 HH12 ARG A 57 11.378 0.199 2.701 1.00 1.80 H new ATOM 0 HH21 ARG A 57 9.907 1.046 -0.393 1.00 3.00 H new ATOM 0 HH22 ARG A 57 11.406 0.965 0.538 1.00 3.00 H new ATOM 610 N VAL A 58 3.533 -1.461 2.788 1.00 0.67 N ATOM 611 CA VAL A 58 2.796 -0.365 3.342 1.00 0.69 C ATOM 612 C VAL A 58 3.700 0.506 4.211 1.00 0.68 C ATOM 613 O VAL A 58 4.392 0.022 5.102 1.00 0.73 O ATOM 614 CB VAL A 58 1.633 -0.913 4.177 1.00 0.76 C ATOM 615 CG1 VAL A 58 0.929 0.191 4.955 1.00 0.81 C ATOM 616 CG2 VAL A 58 0.642 -1.665 3.293 1.00 0.88 C ATOM 0 H VAL A 58 3.347 -2.359 3.234 1.00 0.67 H new ATOM 0 HA VAL A 58 2.408 0.251 2.531 1.00 0.69 H new ATOM 0 HB VAL A 58 2.051 -1.611 4.903 1.00 0.76 H new ATOM 0 HG11 VAL A 58 0.111 -0.237 5.534 1.00 0.81 H new ATOM 0 HG12 VAL A 58 1.639 0.671 5.629 1.00 0.81 H new ATOM 0 HG13 VAL A 58 0.533 0.931 4.259 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -0.176 -2.046 3.905 1.00 0.88 H new ATOM 0 HG22 VAL A 58 0.244 -0.989 2.536 1.00 0.88 H new ATOM 0 HG23 VAL A 58 1.149 -2.498 2.806 1.00 0.88 H new ATOM 626 N LEU A 59 3.691 1.786 3.921 1.00 0.70 N ATOM 627 CA LEU A 59 4.508 2.758 4.617 1.00 0.77 C ATOM 628 C LEU A 59 3.806 3.148 5.916 1.00 0.91 C ATOM 629 O LEU A 59 2.700 3.683 5.887 1.00 1.02 O ATOM 630 CB LEU A 59 4.698 3.964 3.682 1.00 0.74 C ATOM 631 CG LEU A 59 5.831 4.938 4.014 1.00 0.87 C ATOM 632 CD1 LEU A 59 5.441 5.863 5.144 1.00 1.13 C ATOM 633 CD2 LEU A 59 7.111 4.187 4.335 1.00 0.99 C ATOM 0 H LEU A 59 3.109 2.189 3.186 1.00 0.70 H new ATOM 0 HA LEU A 59 5.488 2.357 4.876 1.00 0.77 H new ATOM 0 HB2 LEU A 59 4.863 3.586 2.673 1.00 0.74 H new ATOM 0 HB3 LEU A 59 3.764 4.526 3.663 1.00 0.74 H new ATOM 0 HG LEU A 59 6.015 5.554 3.134 1.00 0.87 H new ATOM 0 HD11 LEU A 59 6.265 6.544 5.358 1.00 1.13 H new ATOM 0 HD12 LEU A 59 4.561 6.438 4.856 1.00 1.13 H new ATOM 0 HD13 LEU A 59 5.215 5.275 6.034 1.00 1.13 H new ATOM 0 HD21 LEU A 59 7.902 4.900 4.568 1.00 0.99 H new ATOM 0 HD22 LEU A 59 6.945 3.536 5.193 1.00 0.99 H new ATOM 0 HD23 LEU A 59 7.406 3.586 3.475 1.00 0.99 H new ATOM 645 N ASP A 60 4.433 2.849 7.050 1.00 1.06 N ATOM 646 CA ASP A 60 3.797 3.052 8.351 1.00 1.31 C ATOM 647 C ASP A 60 3.822 4.529 8.765 1.00 1.32 C ATOM 648 O ASP A 60 4.198 5.400 7.980 1.00 2.09 O ATOM 649 CB ASP A 60 4.497 2.176 9.403 1.00 1.89 C ATOM 650 CG ASP A 60 3.588 1.768 10.549 1.00 2.15 C ATOM 651 OD1 ASP A 60 3.403 2.577 11.486 1.00 2.30 O ATOM 652 OD2 ASP A 60 3.034 0.648 10.508 1.00 2.89 O ATOM 0 H ASP A 60 5.377 2.467 7.096 1.00 1.06 H new ATOM 0 HA ASP A 60 2.750 2.758 8.277 1.00 1.31 H new ATOM 0 HB2 ASP A 60 4.884 1.279 8.919 1.00 1.89 H new ATOM 0 HB3 ASP A 60 5.354 2.717 9.804 1.00 1.89 H new ATOM 657 N ALA A 61 3.465 4.807 10.010 1.00 1.32 N ATOM 658 CA ALA A 61 3.164 6.168 10.435 1.00 1.55 C ATOM 659 C ALA A 61 4.417 7.018 10.639 1.00 1.25 C ATOM 660 O ALA A 61 5.516 6.501 10.854 1.00 1.76 O ATOM 661 CB ALA A 61 2.343 6.140 11.714 1.00 2.66 C ATOM 0 H ALA A 61 3.376 4.107 10.746 1.00 1.32 H new ATOM 0 HA ALA A 61 2.592 6.633 9.632 1.00 1.55 H new ATOM 0 HB1 ALA A 61 2.121 7.160 12.026 1.00 2.66 H new ATOM 0 HB2 ALA A 61 1.411 5.604 11.536 1.00 2.66 H new ATOM 0 HB3 ALA A 61 2.908 5.635 12.498 1.00 2.66 H new ATOM 667 N CYS A 62 4.221 8.335 10.545 1.00 1.19 N ATOM 668 CA CYS A 62 5.265 9.327 10.792 1.00 1.18 C ATOM 669 C CYS A 62 6.501 9.087 9.929 1.00 1.18 C ATOM 670 O CYS A 62 7.634 9.139 10.412 1.00 1.66 O ATOM 671 CB CYS A 62 5.634 9.337 12.278 1.00 1.44 C ATOM 672 SG CYS A 62 4.241 9.713 13.370 1.00 2.09 S ATOM 0 H CYS A 62 3.322 8.745 10.292 1.00 1.19 H new ATOM 0 HA CYS A 62 4.869 10.304 10.514 1.00 1.18 H new ATOM 0 HB2 CYS A 62 6.044 8.364 12.548 1.00 1.44 H new ATOM 0 HB3 CYS A 62 6.422 10.072 12.443 1.00 1.44 H new ATOM 0 HG CYS A 62 4.642 9.698 14.606 1.00 2.09 H new ATOM 678 N SER A 63 6.280 8.828 8.648 1.00 1.03 N ATOM 679 CA SER A 63 7.376 8.611 7.717 1.00 1.07 C ATOM 680 C SER A 63 7.084 9.298 6.385 1.00 1.01 C ATOM 681 O SER A 63 6.043 9.059 5.769 1.00 1.03 O ATOM 682 CB SER A 63 7.588 7.111 7.502 1.00 1.23 C ATOM 683 OG SER A 63 7.673 6.420 8.740 1.00 1.76 O ATOM 0 H SER A 63 5.352 8.763 8.231 1.00 1.03 H new ATOM 0 HA SER A 63 8.285 9.041 8.137 1.00 1.07 H new ATOM 0 HB2 SER A 63 6.765 6.706 6.913 1.00 1.23 H new ATOM 0 HB3 SER A 63 8.501 6.949 6.929 1.00 1.23 H new ATOM 0 HG SER A 63 6.806 6.458 9.196 1.00 1.76 H new ATOM 689 N SER A 64 7.989 10.164 5.951 1.00 1.04 N ATOM 690 CA SER A 64 7.843 10.835 4.668 1.00 1.05 C ATOM 691 C SER A 64 8.641 10.089 3.599 1.00 0.99 C ATOM 692 O SER A 64 8.735 10.523 2.449 1.00 1.01 O ATOM 693 CB SER A 64 8.300 12.296 4.768 1.00 1.23 C ATOM 694 OG SER A 64 7.733 13.082 3.731 1.00 1.95 O ATOM 0 H SER A 64 8.831 10.418 6.468 1.00 1.04 H new ATOM 0 HA SER A 64 6.790 10.831 4.385 1.00 1.05 H new ATOM 0 HB2 SER A 64 8.012 12.705 5.737 1.00 1.23 H new ATOM 0 HB3 SER A 64 9.387 12.345 4.712 1.00 1.23 H new ATOM 0 HG SER A 64 8.397 13.218 3.023 1.00 1.95 H new ATOM 700 N GLU A 65 9.192 8.944 3.995 1.00 0.97 N ATOM 701 CA GLU A 65 9.950 8.078 3.095 1.00 0.96 C ATOM 702 C GLU A 65 8.999 7.319 2.162 1.00 0.83 C ATOM 703 O GLU A 65 9.417 6.491 1.352 1.00 0.86 O ATOM 704 CB GLU A 65 10.789 7.090 3.915 1.00 1.04 C ATOM 705 CG GLU A 65 11.766 6.272 3.089 1.00 1.17 C ATOM 706 CD GLU A 65 12.562 5.290 3.921 1.00 1.41 C ATOM 707 OE1 GLU A 65 13.618 5.682 4.463 1.00 1.70 O ATOM 708 OE2 GLU A 65 12.146 4.116 4.023 1.00 1.51 O ATOM 0 H GLU A 65 9.126 8.590 4.949 1.00 0.97 H new ATOM 0 HA GLU A 65 10.615 8.691 2.486 1.00 0.96 H new ATOM 0 HB2 GLU A 65 11.344 7.643 4.673 1.00 1.04 H new ATOM 0 HB3 GLU A 65 10.119 6.411 4.443 1.00 1.04 H new ATOM 0 HG2 GLU A 65 11.217 5.728 2.320 1.00 1.17 H new ATOM 0 HG3 GLU A 65 12.452 6.945 2.575 1.00 1.17 H new ATOM 715 N ALA A 66 7.710 7.611 2.292 1.00 0.78 N ATOM 716 CA ALA A 66 6.697 7.004 1.446 1.00 0.71 C ATOM 717 C ALA A 66 6.880 7.425 0.000 1.00 0.66 C ATOM 718 O ALA A 66 7.620 8.364 -0.300 1.00 0.90 O ATOM 719 CB ALA A 66 5.303 7.384 1.923 1.00 0.80 C ATOM 0 H ALA A 66 7.343 8.269 2.980 1.00 0.78 H new ATOM 0 HA ALA A 66 6.809 5.922 1.512 1.00 0.71 H new ATOM 0 HB1 ALA A 66 4.558 6.920 1.277 1.00 0.80 H new ATOM 0 HB2 ALA A 66 5.162 7.037 2.947 1.00 0.80 H new ATOM 0 HB3 ALA A 66 5.189 8.467 1.888 1.00 0.80 H new ATOM 725 N THR A 67 6.191 6.740 -0.889 1.00 0.57 N ATOM 726 CA THR A 67 6.255 7.049 -2.298 1.00 0.51 C ATOM 727 C THR A 67 4.989 6.533 -2.985 1.00 0.41 C ATOM 728 O THR A 67 5.055 5.817 -3.976 1.00 0.55 O ATOM 729 CB THR A 67 7.542 6.452 -2.929 1.00 0.62 C ATOM 730 OG1 THR A 67 7.678 6.868 -4.293 1.00 0.67 O ATOM 731 CG2 THR A 67 7.557 4.929 -2.849 1.00 0.70 C ATOM 0 H THR A 67 5.576 5.960 -0.656 1.00 0.57 H new ATOM 0 HA THR A 67 6.305 8.129 -2.437 1.00 0.51 H new ATOM 0 HB THR A 67 8.387 6.830 -2.353 1.00 0.62 H new ATOM 0 HG1 THR A 67 6.867 6.630 -4.790 1.00 0.67 H new ATOM 0 HG21 THR A 67 8.474 4.550 -3.301 1.00 0.70 H new ATOM 0 HG22 THR A 67 7.512 4.619 -1.805 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.696 4.528 -3.384 1.00 0.70 H new ATOM 739 N HIS A 68 3.834 6.977 -2.458 1.00 0.50 N ATOM 740 CA HIS A 68 2.501 6.484 -2.868 1.00 0.42 C ATOM 741 C HIS A 68 1.471 6.743 -1.769 1.00 0.44 C ATOM 742 O HIS A 68 1.364 5.946 -0.836 1.00 0.61 O ATOM 743 CB HIS A 68 2.490 4.975 -3.195 1.00 0.51 C ATOM 744 CG HIS A 68 2.507 4.661 -4.665 1.00 0.50 C ATOM 745 ND1 HIS A 68 3.588 4.090 -5.300 1.00 1.34 N ATOM 746 CD2 HIS A 68 1.568 4.835 -5.622 1.00 1.05 C ATOM 747 CE1 HIS A 68 3.316 3.929 -6.578 1.00 1.10 C ATOM 748 NE2 HIS A 68 2.096 4.370 -6.803 1.00 0.72 N ATOM 0 H HIS A 68 3.796 7.692 -1.731 1.00 0.50 H new ATOM 0 HA HIS A 68 2.247 7.033 -3.775 1.00 0.42 H new ATOM 0 HB2 HIS A 68 3.355 4.507 -2.725 1.00 0.51 H new ATOM 0 HB3 HIS A 68 1.603 4.525 -2.749 1.00 0.51 H new ATOM 0 HD1 HIS A 68 4.465 3.831 -4.849 1.00 1.34 H new ATOM 0 HD2 HIS A 68 0.585 5.261 -5.484 1.00 1.05 H new ATOM 0 HE1 HIS A 68 3.981 3.507 -7.317 1.00 1.10 H new ATOM 757 N VAL A 69 0.718 7.844 -1.840 1.00 0.37 N ATOM 758 CA VAL A 69 -0.373 8.067 -0.906 1.00 0.36 C ATOM 759 C VAL A 69 -1.708 7.905 -1.626 1.00 0.34 C ATOM 760 O VAL A 69 -2.055 8.706 -2.492 1.00 0.43 O ATOM 761 CB VAL A 69 -0.305 9.469 -0.271 1.00 0.41 C ATOM 762 CG1 VAL A 69 -1.531 9.722 0.587 1.00 0.49 C ATOM 763 CG2 VAL A 69 0.959 9.613 0.556 1.00 0.43 C ATOM 0 H VAL A 69 0.847 8.584 -2.530 1.00 0.37 H new ATOM 0 HA VAL A 69 -0.282 7.329 -0.109 1.00 0.36 H new ATOM 0 HB VAL A 69 -0.283 10.211 -1.070 1.00 0.41 H new ATOM 0 HG11 VAL A 69 -1.467 10.717 1.028 1.00 0.49 H new ATOM 0 HG12 VAL A 69 -2.427 9.655 -0.030 1.00 0.49 H new ATOM 0 HG13 VAL A 69 -1.580 8.976 1.380 1.00 0.49 H new ATOM 0 HG21 VAL A 69 0.993 10.609 0.998 1.00 0.43 H new ATOM 0 HG22 VAL A 69 0.963 8.864 1.348 1.00 0.43 H new ATOM 0 HG23 VAL A 69 1.830 9.470 -0.083 1.00 0.43 H new ATOM 773 N VAL A 70 -2.447 6.874 -1.262 1.00 0.35 N ATOM 774 CA VAL A 70 -3.675 6.522 -1.952 1.00 0.36 C ATOM 775 C VAL A 70 -4.894 6.765 -1.068 1.00 0.39 C ATOM 776 O VAL A 70 -5.138 6.036 -0.103 1.00 0.65 O ATOM 777 CB VAL A 70 -3.644 5.043 -2.384 1.00 0.46 C ATOM 778 CG1 VAL A 70 -2.902 4.875 -3.695 1.00 0.90 C ATOM 779 CG2 VAL A 70 -3.000 4.177 -1.314 1.00 0.69 C ATOM 0 H VAL A 70 -2.215 6.258 -0.483 1.00 0.35 H new ATOM 0 HA VAL A 70 -3.751 7.158 -2.834 1.00 0.36 H new ATOM 0 HB VAL A 70 -4.676 4.721 -2.522 1.00 0.46 H new ATOM 0 HG11 VAL A 70 -2.895 3.822 -3.977 1.00 0.90 H new ATOM 0 HG12 VAL A 70 -3.400 5.455 -4.472 1.00 0.90 H new ATOM 0 HG13 VAL A 70 -1.877 5.227 -3.580 1.00 0.90 H new ATOM 0 HG21 VAL A 70 -2.991 3.138 -1.644 1.00 0.69 H new ATOM 0 HG22 VAL A 70 -1.977 4.512 -1.142 1.00 0.69 H new ATOM 0 HG23 VAL A 70 -3.570 4.259 -0.388 1.00 0.69 H new ATOM 789 N MET A 71 -5.644 7.807 -1.387 1.00 0.35 N ATOM 790 CA MET A 71 -6.820 8.177 -0.613 1.00 0.34 C ATOM 791 C MET A 71 -8.105 7.823 -1.374 1.00 0.30 C ATOM 792 O MET A 71 -8.066 7.592 -2.583 1.00 0.37 O ATOM 793 CB MET A 71 -6.744 9.681 -0.333 1.00 0.45 C ATOM 794 CG MET A 71 -7.627 10.166 0.798 1.00 1.06 C ATOM 795 SD MET A 71 -7.113 11.787 1.398 1.00 1.38 S ATOM 796 CE MET A 71 -8.278 12.043 2.731 1.00 1.68 C ATOM 0 H MET A 71 -5.458 8.417 -2.183 1.00 0.35 H new ATOM 0 HA MET A 71 -6.843 7.624 0.326 1.00 0.34 H new ATOM 0 HB2 MET A 71 -5.710 9.941 -0.104 1.00 0.45 H new ATOM 0 HB3 MET A 71 -7.015 10.219 -1.242 1.00 0.45 H new ATOM 0 HG2 MET A 71 -8.661 10.215 0.457 1.00 1.06 H new ATOM 0 HG3 MET A 71 -7.596 9.448 1.618 1.00 1.06 H new ATOM 0 HE1 MET A 71 -8.752 13.018 2.618 1.00 1.68 H new ATOM 0 HE2 MET A 71 -9.040 11.264 2.703 1.00 1.68 H new ATOM 0 HE3 MET A 71 -7.753 12.003 3.686 1.00 1.68 H new ATOM 806 N GLU A 72 -9.230 7.750 -0.657 1.00 0.33 N ATOM 807 CA GLU A 72 -10.531 7.484 -1.276 1.00 0.39 C ATOM 808 C GLU A 72 -11.522 8.562 -0.844 1.00 0.41 C ATOM 809 O GLU A 72 -11.312 9.211 0.185 1.00 0.49 O ATOM 810 CB GLU A 72 -11.058 6.108 -0.850 1.00 0.56 C ATOM 811 CG GLU A 72 -11.685 5.293 -1.977 1.00 1.10 C ATOM 812 CD GLU A 72 -12.893 5.946 -2.616 1.00 1.59 C ATOM 813 OE1 GLU A 72 -12.708 6.839 -3.467 1.00 2.28 O ATOM 814 OE2 GLU A 72 -14.034 5.565 -2.284 1.00 1.94 O ATOM 0 H GLU A 72 -9.265 7.872 0.355 1.00 0.33 H new ATOM 0 HA GLU A 72 -10.416 7.494 -2.360 1.00 0.39 H new ATOM 0 HB2 GLU A 72 -10.236 5.536 -0.419 1.00 0.56 H new ATOM 0 HB3 GLU A 72 -11.799 6.245 -0.062 1.00 0.56 H new ATOM 0 HG2 GLU A 72 -10.932 5.117 -2.745 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -11.977 4.318 -1.587 1.00 1.10 H new ATOM 821 N GLU A 73 -12.587 8.746 -1.622 1.00 0.51 N ATOM 822 CA GLU A 73 -13.622 9.733 -1.311 1.00 0.68 C ATOM 823 C GLU A 73 -13.001 11.116 -1.195 1.00 0.66 C ATOM 824 O GLU A 73 -13.425 11.943 -0.385 1.00 0.81 O ATOM 825 CB GLU A 73 -14.331 9.357 -0.006 1.00 0.87 C ATOM 826 CG GLU A 73 -14.979 7.986 -0.045 1.00 1.08 C ATOM 827 CD GLU A 73 -15.423 7.514 1.320 1.00 1.30 C ATOM 828 OE1 GLU A 73 -16.527 7.902 1.757 1.00 1.54 O ATOM 829 OE2 GLU A 73 -14.672 6.756 1.967 1.00 1.74 O ATOM 0 H GLU A 73 -12.757 8.220 -2.479 1.00 0.51 H new ATOM 0 HA GLU A 73 -14.357 9.744 -2.116 1.00 0.68 H new ATOM 0 HB2 GLU A 73 -13.611 9.387 0.812 1.00 0.87 H new ATOM 0 HB3 GLU A 73 -15.093 10.105 0.213 1.00 0.87 H new ATOM 0 HG2 GLU A 73 -15.840 8.014 -0.713 1.00 1.08 H new ATOM 0 HG3 GLU A 73 -14.274 7.267 -0.463 1.00 1.08 H new ATOM 836 N THR A 74 -11.981 11.347 -2.006 1.00 0.57 N ATOM 837 CA THR A 74 -11.144 12.517 -1.864 1.00 0.56 C ATOM 838 C THR A 74 -10.672 13.024 -3.222 1.00 0.56 C ATOM 839 O THR A 74 -10.086 12.274 -4.005 1.00 0.75 O ATOM 840 CB THR A 74 -9.931 12.165 -0.986 1.00 0.77 C ATOM 841 OG1 THR A 74 -10.380 11.763 0.316 1.00 1.11 O ATOM 842 CG2 THR A 74 -8.970 13.329 -0.863 1.00 0.63 C ATOM 0 H THR A 74 -11.715 10.731 -2.774 1.00 0.57 H new ATOM 0 HA THR A 74 -11.727 13.309 -1.394 1.00 0.56 H new ATOM 0 HB THR A 74 -9.397 11.344 -1.464 1.00 0.77 H new ATOM 0 HG1 THR A 74 -10.629 10.815 0.298 1.00 1.11 H new ATOM 0 HG21 THR A 74 -8.127 13.040 -0.235 1.00 0.63 H new ATOM 0 HG22 THR A 74 -8.607 13.607 -1.852 1.00 0.63 H new ATOM 0 HG23 THR A 74 -9.483 14.179 -0.413 1.00 0.63 H new ATOM 850 N SER A 75 -10.946 14.289 -3.503 1.00 0.55 N ATOM 851 CA SER A 75 -10.485 14.914 -4.730 1.00 0.63 C ATOM 852 C SER A 75 -9.063 15.449 -4.557 1.00 0.53 C ATOM 853 O SER A 75 -8.461 15.290 -3.490 1.00 0.52 O ATOM 854 CB SER A 75 -11.446 16.031 -5.138 1.00 0.76 C ATOM 855 OG SER A 75 -12.758 15.519 -5.322 1.00 1.31 O ATOM 0 H SER A 75 -11.487 14.903 -2.895 1.00 0.55 H new ATOM 0 HA SER A 75 -10.467 14.167 -5.524 1.00 0.63 H new ATOM 0 HB2 SER A 75 -11.457 16.807 -4.372 1.00 0.76 H new ATOM 0 HB3 SER A 75 -11.099 16.498 -6.060 1.00 0.76 H new ATOM 0 HG SER A 75 -13.360 16.248 -5.581 1.00 1.31 H new ATOM 861 N ALA A 76 -8.536 16.079 -5.606 1.00 0.52 N ATOM 862 CA ALA A 76 -7.154 16.551 -5.630 1.00 0.49 C ATOM 863 C ALA A 76 -6.797 17.388 -4.417 1.00 0.40 C ATOM 864 O ALA A 76 -5.963 17.002 -3.602 1.00 0.41 O ATOM 865 CB ALA A 76 -6.931 17.393 -6.867 1.00 0.57 C ATOM 0 H ALA A 76 -9.055 16.276 -6.462 1.00 0.52 H new ATOM 0 HA ALA A 76 -6.519 15.665 -5.629 1.00 0.49 H new ATOM 0 HB1 ALA A 76 -5.900 17.746 -6.886 1.00 0.57 H new ATOM 0 HB2 ALA A 76 -7.125 16.793 -7.756 1.00 0.57 H new ATOM 0 HB3 ALA A 76 -7.607 18.248 -6.852 1.00 0.57 H new ATOM 871 N GLU A 77 -7.468 18.519 -4.296 1.00 0.42 N ATOM 872 CA GLU A 77 -7.141 19.509 -3.285 1.00 0.44 C ATOM 873 C GLU A 77 -7.427 18.973 -1.885 1.00 0.38 C ATOM 874 O GLU A 77 -6.709 19.292 -0.938 1.00 0.39 O ATOM 875 CB GLU A 77 -7.888 20.823 -3.548 1.00 0.61 C ATOM 876 CG GLU A 77 -9.401 20.740 -3.415 1.00 1.06 C ATOM 877 CD GLU A 77 -10.059 19.805 -4.408 1.00 1.33 C ATOM 878 OE1 GLU A 77 -10.325 20.243 -5.545 1.00 1.80 O ATOM 879 OE2 GLU A 77 -10.302 18.633 -4.059 1.00 1.91 O ATOM 0 H GLU A 77 -8.253 18.777 -4.894 1.00 0.42 H new ATOM 0 HA GLU A 77 -6.073 19.718 -3.344 1.00 0.44 H new ATOM 0 HB2 GLU A 77 -7.518 21.579 -2.855 1.00 0.61 H new ATOM 0 HB3 GLU A 77 -7.645 21.167 -4.553 1.00 0.61 H new ATOM 0 HG2 GLU A 77 -9.649 20.413 -2.405 1.00 1.06 H new ATOM 0 HG3 GLU A 77 -9.821 21.738 -3.539 1.00 1.06 H new ATOM 886 N GLU A 78 -8.474 18.163 -1.754 1.00 0.41 N ATOM 887 CA GLU A 78 -8.743 17.451 -0.506 1.00 0.43 C ATOM 888 C GLU A 78 -7.518 16.649 -0.046 1.00 0.38 C ATOM 889 O GLU A 78 -7.081 16.778 1.099 1.00 0.40 O ATOM 890 CB GLU A 78 -9.942 16.517 -0.673 1.00 0.51 C ATOM 891 CG GLU A 78 -11.269 17.232 -0.836 1.00 0.59 C ATOM 892 CD GLU A 78 -11.738 17.891 0.445 1.00 1.23 C ATOM 893 OE1 GLU A 78 -12.098 17.166 1.394 1.00 1.95 O ATOM 894 OE2 GLU A 78 -11.753 19.136 0.506 1.00 1.38 O ATOM 0 H GLU A 78 -9.150 17.983 -2.496 1.00 0.41 H new ATOM 0 HA GLU A 78 -8.971 18.195 0.257 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -9.775 15.882 -1.543 1.00 0.51 H new ATOM 0 HB3 GLU A 78 -10.000 15.860 0.195 1.00 0.51 H new ATOM 0 HG2 GLU A 78 -11.177 17.988 -1.616 1.00 0.59 H new ATOM 0 HG3 GLU A 78 -12.023 16.519 -1.170 1.00 0.59 H new ATOM 901 N ALA A 79 -6.952 15.842 -0.942 1.00 0.34 N ATOM 902 CA ALA A 79 -5.793 15.016 -0.598 1.00 0.32 C ATOM 903 C ALA A 79 -4.532 15.867 -0.514 1.00 0.33 C ATOM 904 O ALA A 79 -3.568 15.503 0.157 1.00 0.38 O ATOM 905 CB ALA A 79 -5.609 13.869 -1.590 1.00 0.32 C ATOM 0 H ALA A 79 -7.273 15.742 -1.905 1.00 0.34 H new ATOM 0 HA ALA A 79 -5.978 14.576 0.382 1.00 0.32 H new ATOM 0 HB1 ALA A 79 -4.740 13.277 -1.304 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -6.497 13.237 -1.584 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -5.459 14.274 -2.591 1.00 0.32 H new ATOM 911 N VAL A 80 -4.548 17.010 -1.189 1.00 0.33 N ATOM 912 CA VAL A 80 -3.452 17.966 -1.091 1.00 0.39 C ATOM 913 C VAL A 80 -3.459 18.608 0.297 1.00 0.45 C ATOM 914 O VAL A 80 -2.411 18.898 0.874 1.00 0.52 O ATOM 915 CB VAL A 80 -3.553 19.058 -2.186 1.00 0.43 C ATOM 916 CG1 VAL A 80 -2.544 20.171 -1.958 1.00 0.50 C ATOM 917 CG2 VAL A 80 -3.353 18.459 -3.569 1.00 0.44 C ATOM 0 H VAL A 80 -5.306 17.297 -1.809 1.00 0.33 H new ATOM 0 HA VAL A 80 -2.514 17.431 -1.244 1.00 0.39 H new ATOM 0 HB VAL A 80 -4.554 19.484 -2.124 1.00 0.43 H new ATOM 0 HG11 VAL A 80 -2.643 20.919 -2.745 1.00 0.50 H new ATOM 0 HG12 VAL A 80 -2.728 20.636 -0.990 1.00 0.50 H new ATOM 0 HG13 VAL A 80 -1.536 19.757 -1.976 1.00 0.50 H new ATOM 0 HG21 VAL A 80 -3.428 19.245 -4.320 1.00 0.44 H new ATOM 0 HG22 VAL A 80 -2.368 17.996 -3.626 1.00 0.44 H new ATOM 0 HG23 VAL A 80 -4.119 17.706 -3.754 1.00 0.44 H new ATOM 927 N SER A 81 -4.659 18.792 0.835 1.00 0.46 N ATOM 928 CA SER A 81 -4.828 19.304 2.185 1.00 0.55 C ATOM 929 C SER A 81 -4.372 18.261 3.198 1.00 0.53 C ATOM 930 O SER A 81 -3.656 18.578 4.150 1.00 0.59 O ATOM 931 CB SER A 81 -6.290 19.677 2.427 1.00 0.59 C ATOM 932 OG SER A 81 -6.736 20.615 1.460 1.00 1.03 O ATOM 0 H SER A 81 -5.534 18.592 0.351 1.00 0.46 H new ATOM 0 HA SER A 81 -4.217 20.199 2.304 1.00 0.55 H new ATOM 0 HB2 SER A 81 -6.910 18.782 2.385 1.00 0.59 H new ATOM 0 HB3 SER A 81 -6.403 20.097 3.427 1.00 0.59 H new ATOM 0 HG SER A 81 -6.745 20.194 0.575 1.00 1.03 H new ATOM 938 N TRP A 82 -4.790 17.013 2.990 1.00 0.46 N ATOM 939 CA TRP A 82 -4.296 15.901 3.793 1.00 0.47 C ATOM 940 C TRP A 82 -2.774 15.846 3.741 1.00 0.48 C ATOM 941 O TRP A 82 -2.113 15.646 4.761 1.00 0.52 O ATOM 942 CB TRP A 82 -4.899 14.575 3.309 1.00 0.46 C ATOM 943 CG TRP A 82 -3.935 13.424 3.330 1.00 0.42 C ATOM 944 CD1 TRP A 82 -3.362 12.831 2.244 1.00 0.42 C ATOM 945 CD2 TRP A 82 -3.419 12.740 4.483 1.00 0.42 C ATOM 946 NE1 TRP A 82 -2.528 11.820 2.646 1.00 0.41 N ATOM 947 CE2 TRP A 82 -2.544 11.744 4.013 1.00 0.40 C ATOM 948 CE3 TRP A 82 -3.612 12.869 5.863 1.00 0.46 C ATOM 949 CZ2 TRP A 82 -1.863 10.887 4.868 1.00 0.41 C ATOM 950 CZ3 TRP A 82 -2.932 12.016 6.712 1.00 0.46 C ATOM 951 CH2 TRP A 82 -2.068 11.035 6.210 1.00 0.43 C ATOM 0 H TRP A 82 -5.467 16.750 2.274 1.00 0.46 H new ATOM 0 HA TRP A 82 -4.603 16.059 4.827 1.00 0.47 H new ATOM 0 HB2 TRP A 82 -5.758 14.328 3.934 1.00 0.46 H new ATOM 0 HB3 TRP A 82 -5.271 14.706 2.293 1.00 0.46 H new ATOM 0 HD1 TRP A 82 -3.539 13.116 1.217 1.00 0.42 H new ATOM 0 HE1 TRP A 82 -1.983 11.221 2.026 1.00 0.41 H new ATOM 0 HE3 TRP A 82 -4.280 13.621 6.257 1.00 0.46 H new ATOM 0 HZ2 TRP A 82 -1.195 10.130 4.485 1.00 0.41 H new ATOM 0 HZ3 TRP A 82 -3.069 12.108 7.779 1.00 0.46 H new ATOM 0 HH2 TRP A 82 -1.553 10.382 6.899 1.00 0.43 H new ATOM 962 N GLN A 83 -2.225 16.018 2.549 1.00 0.49 N ATOM 963 CA GLN A 83 -0.786 16.056 2.370 1.00 0.55 C ATOM 964 C GLN A 83 -0.147 17.109 3.265 1.00 0.60 C ATOM 965 O GLN A 83 0.917 16.882 3.833 1.00 0.61 O ATOM 966 CB GLN A 83 -0.454 16.312 0.905 1.00 0.64 C ATOM 967 CG GLN A 83 0.976 16.747 0.662 1.00 0.84 C ATOM 968 CD GLN A 83 1.393 16.520 -0.767 1.00 1.04 C ATOM 969 OE1 GLN A 83 1.991 15.491 -1.088 1.00 1.48 O ATOM 970 NE2 GLN A 83 1.011 17.433 -1.639 1.00 0.98 N ATOM 0 H GLN A 83 -2.759 16.134 1.688 1.00 0.49 H new ATOM 0 HA GLN A 83 -0.375 15.089 2.660 1.00 0.55 H new ATOM 0 HB2 GLN A 83 -0.648 15.403 0.335 1.00 0.64 H new ATOM 0 HB3 GLN A 83 -1.126 17.079 0.520 1.00 0.64 H new ATOM 0 HG2 GLN A 83 1.082 17.804 0.908 1.00 0.84 H new ATOM 0 HG3 GLN A 83 1.642 16.197 1.327 1.00 0.84 H new ATOM 0 HE21 GLN A 83 0.519 18.268 -1.321 1.00 0.98 H new ATOM 0 HE22 GLN A 83 1.208 17.304 -2.631 1.00 0.98 H new ATOM 979 N GLU A 84 -0.813 18.240 3.407 1.00 0.68 N ATOM 980 CA GLU A 84 -0.316 19.315 4.251 1.00 0.78 C ATOM 981 C GLU A 84 -0.421 18.951 5.734 1.00 0.82 C ATOM 982 O GLU A 84 0.371 19.414 6.552 1.00 0.95 O ATOM 983 CB GLU A 84 -1.056 20.607 3.941 1.00 0.86 C ATOM 984 CG GLU A 84 -0.415 21.402 2.823 1.00 0.94 C ATOM 985 CD GLU A 84 1.002 21.814 3.158 1.00 1.25 C ATOM 986 OE1 GLU A 84 1.181 22.653 4.063 1.00 1.47 O ATOM 987 OE2 GLU A 84 1.946 21.303 2.518 1.00 1.61 O ATOM 0 H GLU A 84 -1.702 18.440 2.948 1.00 0.68 H new ATOM 0 HA GLU A 84 0.741 19.465 4.033 1.00 0.78 H new ATOM 0 HB2 GLU A 84 -2.085 20.373 3.669 1.00 0.86 H new ATOM 0 HB3 GLU A 84 -1.095 21.222 4.840 1.00 0.86 H new ATOM 0 HG2 GLU A 84 -0.413 20.806 1.910 1.00 0.94 H new ATOM 0 HG3 GLU A 84 -1.013 22.291 2.622 1.00 0.94 H new ATOM 994 N ARG A 85 -1.375 18.092 6.070 1.00 0.77 N ATOM 995 CA ARG A 85 -1.470 17.559 7.428 1.00 0.87 C ATOM 996 C ARG A 85 -0.341 16.556 7.644 1.00 0.80 C ATOM 997 O ARG A 85 0.302 16.521 8.693 1.00 0.93 O ATOM 998 CB ARG A 85 -2.824 16.877 7.658 1.00 0.96 C ATOM 999 CG ARG A 85 -3.995 17.840 7.798 1.00 1.23 C ATOM 1000 CD ARG A 85 -3.967 18.561 9.138 1.00 1.45 C ATOM 1001 NE ARG A 85 -5.070 19.510 9.275 1.00 2.09 N ATOM 1002 CZ ARG A 85 -5.781 19.683 10.391 1.00 2.42 C ATOM 1003 NH1 ARG A 85 -5.552 18.928 11.462 1.00 2.45 N ATOM 1004 NH2 ARG A 85 -6.738 20.597 10.425 1.00 3.26 N ATOM 0 H ARG A 85 -2.090 17.750 5.428 1.00 0.77 H new ATOM 0 HA ARG A 85 -1.383 18.381 8.138 1.00 0.87 H new ATOM 0 HB2 ARG A 85 -3.023 16.200 6.827 1.00 0.96 H new ATOM 0 HB3 ARG A 85 -2.762 16.266 8.559 1.00 0.96 H new ATOM 0 HG2 ARG A 85 -3.965 18.571 6.990 1.00 1.23 H new ATOM 0 HG3 ARG A 85 -4.932 17.292 7.698 1.00 1.23 H new ATOM 0 HD2 ARG A 85 -4.017 17.829 9.944 1.00 1.45 H new ATOM 0 HD3 ARG A 85 -3.020 19.089 9.245 1.00 1.45 H new ATOM 0 HE ARG A 85 -5.313 20.078 8.463 1.00 2.09 H new ATOM 0 HH11 ARG A 85 -4.828 18.210 11.434 1.00 2.45 H new ATOM 0 HH12 ARG A 85 -6.100 19.067 12.311 1.00 2.45 H new ATOM 0 HH21 ARG A 85 -6.930 21.166 9.600 1.00 3.26 H new ATOM 0 HH22 ARG A 85 -7.284 20.732 11.276 1.00 3.26 H new ATOM 1018 N ARG A 86 -0.126 15.742 6.624 1.00 0.71 N ATOM 1019 CA ARG A 86 0.975 14.795 6.588 1.00 0.80 C ATOM 1020 C ARG A 86 2.324 15.521 6.700 1.00 0.75 C ATOM 1021 O ARG A 86 3.204 15.096 7.444 1.00 0.78 O ATOM 1022 CB ARG A 86 0.882 13.963 5.301 1.00 0.96 C ATOM 1023 CG ARG A 86 2.050 13.017 5.073 1.00 1.18 C ATOM 1024 CD ARG A 86 1.737 11.965 4.005 1.00 1.04 C ATOM 1025 NE ARG A 86 1.085 12.518 2.809 1.00 1.92 N ATOM 1026 CZ ARG A 86 1.710 13.211 1.852 1.00 2.68 C ATOM 1027 NH1 ARG A 86 2.959 13.625 2.028 1.00 2.91 N ATOM 1028 NH2 ARG A 86 1.067 13.520 0.730 1.00 3.72 N ATOM 0 H ARG A 86 -0.715 15.720 5.792 1.00 0.71 H new ATOM 0 HA ARG A 86 0.906 14.122 7.443 1.00 0.80 H new ATOM 0 HB2 ARG A 86 -0.040 13.382 5.326 1.00 0.96 H new ATOM 0 HB3 ARG A 86 0.809 14.641 4.450 1.00 0.96 H new ATOM 0 HG2 ARG A 86 2.927 13.590 4.771 1.00 1.18 H new ATOM 0 HG3 ARG A 86 2.301 12.519 6.010 1.00 1.18 H new ATOM 0 HD2 ARG A 86 2.663 11.473 3.709 1.00 1.04 H new ATOM 0 HD3 ARG A 86 1.094 11.199 4.438 1.00 1.04 H new ATOM 0 HE ARG A 86 0.083 12.361 2.702 1.00 1.92 H new ATOM 0 HH11 ARG A 86 3.448 13.415 2.898 1.00 2.91 H new ATOM 0 HH12 ARG A 86 3.429 14.153 1.293 1.00 2.91 H new ATOM 0 HH21 ARG A 86 0.098 13.228 0.601 1.00 3.72 H new ATOM 0 HH22 ARG A 86 1.542 14.049 -0.001 1.00 3.72 H new ATOM 1042 N MET A 87 2.472 16.625 5.971 1.00 0.77 N ATOM 1043 CA MET A 87 3.694 17.431 6.028 1.00 0.89 C ATOM 1044 C MET A 87 3.851 18.109 7.383 1.00 0.93 C ATOM 1045 O MET A 87 4.969 18.348 7.834 1.00 1.01 O ATOM 1046 CB MET A 87 3.710 18.494 4.923 1.00 1.11 C ATOM 1047 CG MET A 87 3.886 17.949 3.509 1.00 1.21 C ATOM 1048 SD MET A 87 5.598 17.530 3.091 1.00 1.69 S ATOM 1049 CE MET A 87 5.877 16.031 4.032 1.00 1.11 C ATOM 0 H MET A 87 1.762 16.984 5.333 1.00 0.77 H new ATOM 0 HA MET A 87 4.530 16.748 5.877 1.00 0.89 H new ATOM 0 HB2 MET A 87 2.777 19.056 4.966 1.00 1.11 H new ATOM 0 HB3 MET A 87 4.516 19.198 5.128 1.00 1.11 H new ATOM 0 HG2 MET A 87 3.266 17.060 3.393 1.00 1.21 H new ATOM 0 HG3 MET A 87 3.519 18.688 2.797 1.00 1.21 H new ATOM 0 HE1 MET A 87 6.425 15.314 3.420 1.00 1.11 H new ATOM 0 HE2 MET A 87 6.457 16.265 4.925 1.00 1.11 H new ATOM 0 HE3 MET A 87 4.919 15.601 4.324 1.00 1.11 H new ATOM 1059 N ALA A 88 2.732 18.415 8.028 1.00 0.97 N ATOM 1060 CA ALA A 88 2.754 19.072 9.331 1.00 1.13 C ATOM 1061 C ALA A 88 3.375 18.178 10.402 1.00 1.14 C ATOM 1062 O ALA A 88 3.798 18.658 11.456 1.00 1.29 O ATOM 1063 CB ALA A 88 1.348 19.483 9.738 1.00 1.32 C ATOM 0 H ALA A 88 1.797 18.219 7.671 1.00 0.97 H new ATOM 0 HA ALA A 88 3.375 19.963 9.242 1.00 1.13 H new ATOM 0 HB1 ALA A 88 1.379 19.972 10.712 1.00 1.32 H new ATOM 0 HB2 ALA A 88 0.942 20.173 8.998 1.00 1.32 H new ATOM 0 HB3 ALA A 88 0.713 18.599 9.796 1.00 1.32 H new ATOM 1069 N ALA A 89 3.424 16.879 10.130 1.00 1.05 N ATOM 1070 CA ALA A 89 4.016 15.925 11.058 1.00 1.18 C ATOM 1071 C ALA A 89 5.478 15.657 10.703 1.00 1.20 C ATOM 1072 O ALA A 89 6.280 15.286 11.562 1.00 1.45 O ATOM 1073 CB ALA A 89 3.224 14.625 11.052 1.00 1.25 C ATOM 0 H ALA A 89 3.060 16.463 9.273 1.00 1.05 H new ATOM 0 HA ALA A 89 3.982 16.354 12.059 1.00 1.18 H new ATOM 0 HB1 ALA A 89 3.676 13.920 11.750 1.00 1.25 H new ATOM 0 HB2 ALA A 89 2.196 14.824 11.353 1.00 1.25 H new ATOM 0 HB3 ALA A 89 3.232 14.199 10.049 1.00 1.25 H new ATOM 1079 N ALA A 90 5.817 15.856 9.438 1.00 1.01 N ATOM 1080 CA ALA A 90 7.163 15.595 8.951 1.00 1.10 C ATOM 1081 C ALA A 90 8.038 16.837 9.088 1.00 1.12 C ATOM 1082 O ALA A 90 7.610 17.947 8.766 1.00 1.00 O ATOM 1083 CB ALA A 90 7.113 15.136 7.500 1.00 1.05 C ATOM 0 H ALA A 90 5.173 16.200 8.726 1.00 1.01 H new ATOM 0 HA ALA A 90 7.603 14.802 9.556 1.00 1.10 H new ATOM 0 HB1 ALA A 90 8.125 14.943 7.144 1.00 1.05 H new ATOM 0 HB2 ALA A 90 6.523 14.223 7.427 1.00 1.05 H new ATOM 0 HB3 ALA A 90 6.655 15.913 6.888 1.00 1.05 H new ATOM 1089 N PRO A 91 9.277 16.656 9.572 1.00 1.40 N ATOM 1090 CA PRO A 91 10.234 17.755 9.748 1.00 1.57 C ATOM 1091 C PRO A 91 10.479 18.520 8.448 1.00 1.45 C ATOM 1092 O PRO A 91 10.709 17.916 7.400 1.00 1.42 O ATOM 1093 CB PRO A 91 11.515 17.044 10.194 1.00 1.91 C ATOM 1094 CG PRO A 91 11.052 15.756 10.778 1.00 1.96 C ATOM 1095 CD PRO A 91 9.843 15.361 9.986 1.00 1.67 C ATOM 0 HA PRO A 91 9.874 18.499 10.458 1.00 1.57 H new ATOM 0 HB2 PRO A 91 12.188 16.878 9.353 1.00 1.91 H new ATOM 0 HB3 PRO A 91 12.062 17.637 10.927 1.00 1.91 H new ATOM 0 HG2 PRO A 91 11.829 14.995 10.712 1.00 1.96 H new ATOM 0 HG3 PRO A 91 10.808 15.871 11.834 1.00 1.96 H new ATOM 0 HD2 PRO A 91 10.108 14.744 9.127 1.00 1.67 H new ATOM 0 HD3 PRO A 91 9.138 14.786 10.586 1.00 1.67 H new ATOM 1103 N PRO A 92 10.421 19.863 8.509 1.00 1.56 N ATOM 1104 CA PRO A 92 10.604 20.730 7.339 1.00 1.67 C ATOM 1105 C PRO A 92 11.899 20.421 6.601 1.00 1.87 C ATOM 1106 O PRO A 92 12.996 20.580 7.143 1.00 2.74 O ATOM 1107 CB PRO A 92 10.643 22.149 7.929 1.00 1.98 C ATOM 1108 CG PRO A 92 10.819 21.963 9.398 1.00 2.05 C ATOM 1109 CD PRO A 92 10.180 20.647 9.724 1.00 1.77 C ATOM 0 HA PRO A 92 9.811 20.593 6.604 1.00 1.67 H new ATOM 0 HB2 PRO A 92 11.464 22.728 7.505 1.00 1.98 H new ATOM 0 HB3 PRO A 92 9.723 22.691 7.709 1.00 1.98 H new ATOM 0 HG2 PRO A 92 11.875 21.962 9.668 1.00 2.05 H new ATOM 0 HG3 PRO A 92 10.349 22.774 9.954 1.00 2.05 H new ATOM 0 HD2 PRO A 92 10.632 20.184 10.601 1.00 1.77 H new ATOM 0 HD3 PRO A 92 9.116 20.754 9.932 1.00 1.77 H new ATOM 1117 N GLY A 93 11.769 19.975 5.364 1.00 1.48 N ATOM 1118 CA GLY A 93 12.920 19.527 4.608 1.00 1.64 C ATOM 1119 C GLY A 93 12.711 18.128 4.078 1.00 1.50 C ATOM 1120 O GLY A 93 13.328 17.723 3.090 1.00 1.68 O ATOM 0 H GLY A 93 10.881 19.914 4.865 1.00 1.48 H new ATOM 0 HA2 GLY A 93 13.102 20.210 3.778 1.00 1.64 H new ATOM 0 HA3 GLY A 93 13.807 19.551 5.241 1.00 1.64 H new ATOM 1124 N CYS A 94 11.848 17.381 4.754 1.00 1.28 N ATOM 1125 CA CYS A 94 11.442 16.069 4.284 1.00 1.27 C ATOM 1126 C CYS A 94 10.357 16.225 3.227 1.00 1.14 C ATOM 1127 O CYS A 94 9.219 16.584 3.539 1.00 1.17 O ATOM 1128 CB CYS A 94 10.929 15.215 5.450 1.00 1.33 C ATOM 1129 SG CYS A 94 12.134 14.975 6.779 1.00 2.34 S ATOM 0 H CYS A 94 11.416 17.666 5.633 1.00 1.28 H new ATOM 0 HA CYS A 94 12.303 15.564 3.846 1.00 1.27 H new ATOM 0 HB2 CYS A 94 10.036 15.684 5.864 1.00 1.33 H new ATOM 0 HB3 CYS A 94 10.628 14.240 5.067 1.00 1.33 H new ATOM 0 HG CYS A 94 11.691 14.079 7.610 1.00 2.34 H new ATOM 1135 N THR A 95 10.721 15.989 1.975 1.00 1.27 N ATOM 1136 CA THR A 95 9.797 16.158 0.869 1.00 1.33 C ATOM 1137 C THR A 95 8.718 15.079 0.889 1.00 0.96 C ATOM 1138 O THR A 95 8.965 13.942 1.306 1.00 0.86 O ATOM 1139 CB THR A 95 10.541 16.135 -0.479 1.00 1.73 C ATOM 1140 OG1 THR A 95 11.350 14.956 -0.580 1.00 1.72 O ATOM 1141 CG2 THR A 95 11.414 17.371 -0.639 1.00 2.23 C ATOM 0 H THR A 95 11.654 15.679 1.702 1.00 1.27 H new ATOM 0 HA THR A 95 9.318 17.130 0.985 1.00 1.33 H new ATOM 0 HB THR A 95 9.796 16.130 -1.275 1.00 1.73 H new ATOM 0 HG1 THR A 95 11.816 14.952 -1.442 1.00 1.72 H new ATOM 0 HG21 THR A 95 11.929 17.331 -1.599 1.00 2.23 H new ATOM 0 HG22 THR A 95 10.791 18.264 -0.598 1.00 2.23 H new ATOM 0 HG23 THR A 95 12.149 17.404 0.166 1.00 2.23 H new ATOM 1149 N PRO A 96 7.499 15.435 0.463 1.00 0.93 N ATOM 1150 CA PRO A 96 6.361 14.518 0.463 1.00 0.76 C ATOM 1151 C PRO A 96 6.457 13.443 -0.617 1.00 0.61 C ATOM 1152 O PRO A 96 7.053 13.655 -1.675 1.00 0.71 O ATOM 1153 CB PRO A 96 5.170 15.438 0.190 1.00 1.07 C ATOM 1154 CG PRO A 96 5.741 16.573 -0.578 1.00 1.30 C ATOM 1155 CD PRO A 96 7.131 16.769 -0.043 1.00 1.27 C ATOM 0 HA PRO A 96 6.295 13.963 1.399 1.00 0.76 H new ATOM 0 HB2 PRO A 96 4.395 14.925 -0.379 1.00 1.07 H new ATOM 0 HB3 PRO A 96 4.711 15.779 1.118 1.00 1.07 H new ATOM 0 HG2 PRO A 96 5.760 16.353 -1.645 1.00 1.30 H new ATOM 0 HG3 PRO A 96 5.141 17.474 -0.449 1.00 1.30 H new ATOM 0 HD2 PRO A 96 7.816 17.106 -0.821 1.00 1.27 H new ATOM 0 HD3 PRO A 96 7.154 17.518 0.748 1.00 1.27 H new ATOM 1163 N PRO A 97 5.900 12.257 -0.314 1.00 0.50 N ATOM 1164 CA PRO A 97 5.723 11.159 -1.283 1.00 0.46 C ATOM 1165 C PRO A 97 4.884 11.555 -2.506 1.00 0.45 C ATOM 1166 O PRO A 97 4.770 12.727 -2.859 1.00 0.68 O ATOM 1167 CB PRO A 97 4.979 10.083 -0.466 1.00 0.59 C ATOM 1168 CG PRO A 97 4.483 10.771 0.755 1.00 0.69 C ATOM 1169 CD PRO A 97 5.457 11.868 1.030 1.00 0.64 C ATOM 0 HA PRO A 97 6.680 10.838 -1.694 1.00 0.46 H new ATOM 0 HB2 PRO A 97 4.154 9.659 -1.038 1.00 0.59 H new ATOM 0 HB3 PRO A 97 5.644 9.259 -0.207 1.00 0.59 H new ATOM 0 HG2 PRO A 97 3.480 11.169 0.599 1.00 0.69 H new ATOM 0 HG3 PRO A 97 4.425 10.080 1.596 1.00 0.69 H new ATOM 0 HD2 PRO A 97 4.990 12.700 1.558 1.00 0.64 H new ATOM 0 HD3 PRO A 97 6.288 11.525 1.646 1.00 0.64 H new ATOM 1177 N ALA A 98 4.258 10.561 -3.123 1.00 0.44 N ATOM 1178 CA ALA A 98 3.488 10.777 -4.331 1.00 0.44 C ATOM 1179 C ALA A 98 2.008 10.834 -3.996 1.00 0.38 C ATOM 1180 O ALA A 98 1.447 9.864 -3.484 1.00 0.39 O ATOM 1181 CB ALA A 98 3.758 9.671 -5.341 1.00 0.54 C ATOM 0 H ALA A 98 4.272 9.593 -2.801 1.00 0.44 H new ATOM 0 HA ALA A 98 3.789 11.727 -4.774 1.00 0.44 H new ATOM 0 HB1 ALA A 98 3.171 9.850 -6.242 1.00 0.54 H new ATOM 0 HB2 ALA A 98 4.818 9.661 -5.595 1.00 0.54 H new ATOM 0 HB3 ALA A 98 3.478 8.709 -4.911 1.00 0.54 H new ATOM 1187 N LEU A 99 1.395 11.979 -4.235 1.00 0.45 N ATOM 1188 CA LEU A 99 -0.040 12.141 -4.049 1.00 0.44 C ATOM 1189 C LEU A 99 -0.783 11.461 -5.206 1.00 0.44 C ATOM 1190 O LEU A 99 -0.287 11.443 -6.334 1.00 0.61 O ATOM 1191 CB LEU A 99 -0.385 13.634 -3.950 1.00 0.52 C ATOM 1192 CG LEU A 99 -1.477 14.015 -2.932 1.00 0.41 C ATOM 1193 CD1 LEU A 99 -1.253 13.317 -1.600 1.00 0.46 C ATOM 1194 CD2 LEU A 99 -1.497 15.518 -2.742 1.00 0.46 C ATOM 0 H LEU A 99 1.872 12.819 -4.562 1.00 0.45 H new ATOM 0 HA LEU A 99 -0.354 11.666 -3.120 1.00 0.44 H new ATOM 0 HB2 LEU A 99 0.524 14.179 -3.697 1.00 0.52 H new ATOM 0 HB3 LEU A 99 -0.700 13.979 -4.935 1.00 0.52 H new ATOM 0 HG LEU A 99 -2.441 13.688 -3.322 1.00 0.41 H new ATOM 0 HD11 LEU A 99 -2.039 13.605 -0.902 1.00 0.46 H new ATOM 0 HD12 LEU A 99 -1.276 12.237 -1.747 1.00 0.46 H new ATOM 0 HD13 LEU A 99 -0.284 13.608 -1.195 1.00 0.46 H new ATOM 0 HD21 LEU A 99 -2.271 15.783 -2.021 1.00 0.46 H new ATOM 0 HD22 LEU A 99 -0.527 15.851 -2.372 1.00 0.46 H new ATOM 0 HD23 LEU A 99 -1.708 16.002 -3.695 1.00 0.46 H new ATOM 1206 N LEU A 100 -1.997 10.967 -4.932 1.00 0.44 N ATOM 1207 CA LEU A 100 -2.660 9.994 -5.830 1.00 0.39 C ATOM 1208 C LEU A 100 -3.966 9.487 -5.216 1.00 0.44 C ATOM 1209 O LEU A 100 -4.457 10.045 -4.233 1.00 0.66 O ATOM 1210 CB LEU A 100 -1.768 8.813 -6.294 1.00 0.53 C ATOM 1211 CG LEU A 100 -0.468 8.546 -5.540 1.00 0.54 C ATOM 1212 CD1 LEU A 100 -0.550 7.229 -4.802 1.00 0.79 C ATOM 1213 CD2 LEU A 100 0.703 8.537 -6.509 1.00 0.98 C ATOM 0 H LEU A 100 -2.541 11.217 -4.106 1.00 0.44 H new ATOM 0 HA LEU A 100 -2.877 10.554 -6.740 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -2.370 7.905 -6.250 1.00 0.53 H new ATOM 0 HB3 LEU A 100 -1.516 8.978 -7.342 1.00 0.53 H new ATOM 0 HG LEU A 100 -0.314 9.342 -4.811 1.00 0.54 H new ATOM 0 HD11 LEU A 100 0.384 7.052 -4.269 1.00 0.79 H new ATOM 0 HD12 LEU A 100 -1.374 7.262 -4.089 1.00 0.79 H new ATOM 0 HD13 LEU A 100 -0.719 6.422 -5.515 1.00 0.79 H new ATOM 0 HD21 LEU A 100 1.626 8.346 -5.962 1.00 0.98 H new ATOM 0 HD22 LEU A 100 0.553 7.755 -7.253 1.00 0.98 H new ATOM 0 HD23 LEU A 100 0.770 9.504 -7.007 1.00 0.98 H new ATOM 1225 N ASP A 101 -4.521 8.429 -5.804 1.00 0.41 N ATOM 1226 CA ASP A 101 -5.818 7.894 -5.410 1.00 0.44 C ATOM 1227 C ASP A 101 -5.724 6.372 -5.310 1.00 0.40 C ATOM 1228 O ASP A 101 -4.895 5.749 -5.984 1.00 0.47 O ATOM 1229 CB ASP A 101 -6.879 8.306 -6.441 1.00 0.52 C ATOM 1230 CG ASP A 101 -8.216 7.605 -6.256 1.00 1.03 C ATOM 1231 OD1 ASP A 101 -8.392 6.503 -6.813 1.00 1.25 O ATOM 1232 OD2 ASP A 101 -9.104 8.155 -5.574 1.00 1.92 O ATOM 0 H ASP A 101 -4.080 7.919 -6.569 1.00 0.41 H new ATOM 0 HA ASP A 101 -6.107 8.294 -4.438 1.00 0.44 H new ATOM 0 HB2 ASP A 101 -7.032 9.383 -6.381 1.00 0.52 H new ATOM 0 HB3 ASP A 101 -6.503 8.093 -7.442 1.00 0.52 H new ATOM 1237 N ILE A 102 -6.574 5.790 -4.454 1.00 0.46 N ATOM 1238 CA ILE A 102 -6.589 4.346 -4.170 1.00 0.42 C ATOM 1239 C ILE A 102 -6.721 3.497 -5.437 1.00 0.46 C ATOM 1240 O ILE A 102 -6.484 2.287 -5.404 1.00 0.77 O ATOM 1241 CB ILE A 102 -7.742 4.004 -3.202 1.00 0.41 C ATOM 1242 CG1 ILE A 102 -7.632 2.566 -2.691 1.00 0.42 C ATOM 1243 CG2 ILE A 102 -9.084 4.218 -3.874 1.00 0.45 C ATOM 1244 CD1 ILE A 102 -6.434 2.333 -1.803 1.00 0.44 C ATOM 0 H ILE A 102 -7.278 6.312 -3.933 1.00 0.46 H new ATOM 0 HA ILE A 102 -5.630 4.107 -3.711 1.00 0.42 H new ATOM 0 HB ILE A 102 -7.665 4.675 -2.346 1.00 0.41 H new ATOM 0 HG12 ILE A 102 -8.538 2.315 -2.139 1.00 0.42 H new ATOM 0 HG13 ILE A 102 -7.580 1.889 -3.543 1.00 0.42 H new ATOM 0 HG21 ILE A 102 -9.884 3.972 -3.176 1.00 0.45 H new ATOM 0 HG22 ILE A 102 -9.176 5.261 -4.178 1.00 0.45 H new ATOM 0 HG23 ILE A 102 -9.158 3.576 -4.752 1.00 0.45 H new ATOM 0 HD11 ILE A 102 -6.419 1.293 -1.478 1.00 0.44 H new ATOM 0 HD12 ILE A 102 -5.522 2.553 -2.358 1.00 0.44 H new ATOM 0 HD13 ILE A 102 -6.495 2.985 -0.932 1.00 0.44 H new ATOM 1256 N SER A 103 -7.063 4.135 -6.548 1.00 0.42 N ATOM 1257 CA SER A 103 -7.256 3.435 -7.811 1.00 0.51 C ATOM 1258 C SER A 103 -5.969 2.751 -8.264 1.00 0.48 C ATOM 1259 O SER A 103 -6.010 1.777 -9.007 1.00 0.58 O ATOM 1260 CB SER A 103 -7.750 4.397 -8.893 1.00 0.66 C ATOM 1261 OG SER A 103 -7.998 3.722 -10.118 1.00 1.46 O ATOM 0 H SER A 103 -7.213 5.143 -6.600 1.00 0.42 H new ATOM 0 HA SER A 103 -8.014 2.668 -7.652 1.00 0.51 H new ATOM 0 HB2 SER A 103 -8.663 4.887 -8.556 1.00 0.66 H new ATOM 0 HB3 SER A 103 -7.008 5.179 -9.052 1.00 0.66 H new ATOM 0 HG SER A 103 -8.313 4.364 -10.788 1.00 1.46 H new ATOM 1267 N TRP A 104 -4.824 3.262 -7.821 1.00 0.38 N ATOM 1268 CA TRP A 104 -3.559 2.605 -8.114 1.00 0.36 C ATOM 1269 C TRP A 104 -3.507 1.239 -7.441 1.00 0.34 C ATOM 1270 O TRP A 104 -3.198 0.237 -8.080 1.00 0.35 O ATOM 1271 CB TRP A 104 -2.360 3.457 -7.662 1.00 0.34 C ATOM 1272 CG TRP A 104 -1.072 2.678 -7.585 1.00 0.32 C ATOM 1273 CD1 TRP A 104 -0.225 2.369 -8.613 1.00 0.34 C ATOM 1274 CD2 TRP A 104 -0.497 2.097 -6.409 1.00 0.31 C ATOM 1275 NE1 TRP A 104 0.837 1.628 -8.141 1.00 0.34 N ATOM 1276 CE2 TRP A 104 0.690 1.449 -6.797 1.00 0.32 C ATOM 1277 CE3 TRP A 104 -0.873 2.060 -5.066 1.00 0.30 C ATOM 1278 CZ2 TRP A 104 1.501 0.773 -5.891 1.00 0.33 C ATOM 1279 CZ3 TRP A 104 -0.069 1.391 -4.168 1.00 0.31 C ATOM 1280 CH2 TRP A 104 1.106 0.756 -4.583 1.00 0.32 C ATOM 0 H TRP A 104 -4.748 4.115 -7.267 1.00 0.38 H new ATOM 0 HA TRP A 104 -3.494 2.480 -9.195 1.00 0.36 H new ATOM 0 HB2 TRP A 104 -2.233 4.289 -8.354 1.00 0.34 H new ATOM 0 HB3 TRP A 104 -2.576 3.886 -6.684 1.00 0.34 H new ATOM 0 HD1 TRP A 104 -0.367 2.662 -9.643 1.00 0.34 H new ATOM 0 HE1 TRP A 104 1.608 1.271 -8.705 1.00 0.34 H new ATOM 0 HE3 TRP A 104 -1.778 2.547 -4.736 1.00 0.30 H new ATOM 0 HZ2 TRP A 104 2.408 0.281 -6.209 1.00 0.33 H new ATOM 0 HZ3 TRP A 104 -0.351 1.357 -3.126 1.00 0.31 H new ATOM 0 HH2 TRP A 104 1.714 0.241 -3.854 1.00 0.32 H new ATOM 1291 N LEU A 105 -3.842 1.205 -6.159 1.00 0.34 N ATOM 1292 CA LEU A 105 -3.696 -0.006 -5.367 1.00 0.32 C ATOM 1293 C LEU A 105 -4.747 -1.037 -5.749 1.00 0.31 C ATOM 1294 O LEU A 105 -4.429 -2.210 -5.928 1.00 0.34 O ATOM 1295 CB LEU A 105 -3.778 0.326 -3.877 1.00 0.33 C ATOM 1296 CG LEU A 105 -3.449 -0.831 -2.931 1.00 0.32 C ATOM 1297 CD1 LEU A 105 -2.078 -1.409 -3.244 1.00 0.34 C ATOM 1298 CD2 LEU A 105 -3.506 -0.358 -1.490 1.00 0.35 C ATOM 0 H LEU A 105 -4.217 2.003 -5.646 1.00 0.34 H new ATOM 0 HA LEU A 105 -2.717 -0.437 -5.574 1.00 0.32 H new ATOM 0 HB2 LEU A 105 -3.097 1.150 -3.667 1.00 0.33 H new ATOM 0 HB3 LEU A 105 -4.785 0.680 -3.655 1.00 0.33 H new ATOM 0 HG LEU A 105 -4.191 -1.617 -3.074 1.00 0.32 H new ATOM 0 HD11 LEU A 105 -1.864 -2.230 -2.560 1.00 0.34 H new ATOM 0 HD12 LEU A 105 -2.064 -1.778 -4.269 1.00 0.34 H new ATOM 0 HD13 LEU A 105 -1.321 -0.633 -3.128 1.00 0.34 H new ATOM 0 HD21 LEU A 105 -3.270 -1.189 -0.825 1.00 0.35 H new ATOM 0 HD22 LEU A 105 -2.782 0.443 -1.341 1.00 0.35 H new ATOM 0 HD23 LEU A 105 -4.507 0.012 -1.268 1.00 0.35 H new ATOM 1310 N THR A 106 -5.997 -0.598 -5.852 1.00 0.35 N ATOM 1311 CA THR A 106 -7.082 -1.458 -6.315 1.00 0.37 C ATOM 1312 C THR A 106 -6.728 -2.162 -7.627 1.00 0.36 C ATOM 1313 O THR A 106 -7.026 -3.347 -7.803 1.00 0.47 O ATOM 1314 CB THR A 106 -8.388 -0.659 -6.485 1.00 0.47 C ATOM 1315 OG1 THR A 106 -8.160 0.488 -7.315 1.00 0.50 O ATOM 1316 CG2 THR A 106 -8.930 -0.216 -5.132 1.00 0.59 C ATOM 0 H THR A 106 -6.285 0.353 -5.620 1.00 0.35 H new ATOM 0 HA THR A 106 -7.231 -2.220 -5.550 1.00 0.37 H new ATOM 0 HB THR A 106 -9.125 -1.306 -6.960 1.00 0.47 H new ATOM 0 HG1 THR A 106 -8.981 0.706 -7.804 1.00 0.50 H new ATOM 0 HG21 THR A 106 -9.852 0.347 -5.276 1.00 0.59 H new ATOM 0 HG22 THR A 106 -9.132 -1.092 -4.516 1.00 0.59 H new ATOM 0 HG23 THR A 106 -8.194 0.415 -4.634 1.00 0.59 H new ATOM 1324 N GLU A 107 -6.063 -1.448 -8.529 1.00 0.38 N ATOM 1325 CA GLU A 107 -5.664 -2.025 -9.803 1.00 0.39 C ATOM 1326 C GLU A 107 -4.379 -2.835 -9.656 1.00 0.33 C ATOM 1327 O GLU A 107 -4.175 -3.818 -10.367 1.00 0.43 O ATOM 1328 CB GLU A 107 -5.492 -0.942 -10.868 1.00 0.46 C ATOM 1329 CG GLU A 107 -6.796 -0.256 -11.247 1.00 0.53 C ATOM 1330 CD GLU A 107 -6.647 0.676 -12.432 1.00 0.83 C ATOM 1331 OE1 GLU A 107 -6.497 0.179 -13.566 1.00 0.95 O ATOM 1332 OE2 GLU A 107 -6.694 1.909 -12.241 1.00 1.51 O ATOM 0 H GLU A 107 -5.791 -0.473 -8.401 1.00 0.38 H new ATOM 0 HA GLU A 107 -6.460 -2.697 -10.125 1.00 0.39 H new ATOM 0 HB2 GLU A 107 -4.788 -0.193 -10.504 1.00 0.46 H new ATOM 0 HB3 GLU A 107 -5.051 -1.387 -11.760 1.00 0.46 H new ATOM 0 HG2 GLU A 107 -7.545 -1.013 -11.478 1.00 0.53 H new ATOM 0 HG3 GLU A 107 -7.166 0.308 -10.391 1.00 0.53 H new ATOM 1339 N SER A 108 -3.521 -2.432 -8.723 1.00 0.35 N ATOM 1340 CA SER A 108 -2.295 -3.173 -8.448 1.00 0.36 C ATOM 1341 C SER A 108 -2.629 -4.548 -7.882 1.00 0.38 C ATOM 1342 O SER A 108 -2.088 -5.553 -8.332 1.00 0.46 O ATOM 1343 CB SER A 108 -1.389 -2.399 -7.484 1.00 0.45 C ATOM 1344 OG SER A 108 -0.951 -1.183 -8.065 1.00 0.88 O ATOM 0 H SER A 108 -3.651 -1.600 -8.147 1.00 0.35 H new ATOM 0 HA SER A 108 -1.754 -3.301 -9.386 1.00 0.36 H new ATOM 0 HB2 SER A 108 -1.928 -2.191 -6.560 1.00 0.45 H new ATOM 0 HB3 SER A 108 -0.527 -3.011 -7.219 1.00 0.45 H new ATOM 0 HG SER A 108 -1.717 -0.584 -8.188 1.00 0.88 H new ATOM 1350 N LEU A 109 -3.519 -4.591 -6.890 1.00 0.36 N ATOM 1351 CA LEU A 109 -4.039 -5.854 -6.379 1.00 0.43 C ATOM 1352 C LEU A 109 -4.673 -6.668 -7.495 1.00 0.52 C ATOM 1353 O LEU A 109 -4.375 -7.848 -7.662 1.00 0.75 O ATOM 1354 CB LEU A 109 -5.072 -5.598 -5.284 1.00 0.40 C ATOM 1355 CG LEU A 109 -4.558 -4.813 -4.079 1.00 0.47 C ATOM 1356 CD1 LEU A 109 -5.512 -4.964 -2.918 1.00 0.71 C ATOM 1357 CD2 LEU A 109 -3.173 -5.280 -3.681 1.00 0.86 C ATOM 0 H LEU A 109 -3.893 -3.764 -6.426 1.00 0.36 H new ATOM 0 HA LEU A 109 -3.204 -6.418 -5.963 1.00 0.43 H new ATOM 0 HB2 LEU A 109 -5.913 -5.057 -5.719 1.00 0.40 H new ATOM 0 HB3 LEU A 109 -5.455 -6.557 -4.936 1.00 0.40 H new ATOM 0 HG LEU A 109 -4.496 -3.761 -4.356 1.00 0.47 H new ATOM 0 HD11 LEU A 109 -5.137 -4.401 -2.063 1.00 0.71 H new ATOM 0 HD12 LEU A 109 -6.493 -4.583 -3.201 1.00 0.71 H new ATOM 0 HD13 LEU A 109 -5.595 -6.017 -2.650 1.00 0.71 H new ATOM 0 HD21 LEU A 109 -2.829 -4.706 -2.821 1.00 0.86 H new ATOM 0 HD22 LEU A 109 -3.206 -6.338 -3.421 1.00 0.86 H new ATOM 0 HD23 LEU A 109 -2.486 -5.132 -4.514 1.00 0.86 H new ATOM 1369 N GLY A 110 -5.576 -6.023 -8.229 1.00 0.48 N ATOM 1370 CA GLY A 110 -6.185 -6.634 -9.400 1.00 0.62 C ATOM 1371 C GLY A 110 -5.175 -7.289 -10.330 1.00 0.67 C ATOM 1372 O GLY A 110 -5.439 -8.351 -10.891 1.00 0.96 O ATOM 0 H GLY A 110 -5.900 -5.076 -8.031 1.00 0.48 H new ATOM 0 HA2 GLY A 110 -6.909 -7.382 -9.076 1.00 0.62 H new ATOM 0 HA3 GLY A 110 -6.737 -5.874 -9.952 1.00 0.62 H new ATOM 1376 N ALA A 111 -4.013 -6.666 -10.486 1.00 0.47 N ATOM 1377 CA ALA A 111 -2.980 -7.188 -11.372 1.00 0.53 C ATOM 1378 C ALA A 111 -2.098 -8.209 -10.657 1.00 0.59 C ATOM 1379 O ALA A 111 -1.629 -9.174 -11.262 1.00 0.71 O ATOM 1380 CB ALA A 111 -2.134 -6.052 -11.929 1.00 0.48 C ATOM 0 H ALA A 111 -3.763 -5.799 -10.011 1.00 0.47 H new ATOM 0 HA ALA A 111 -3.475 -7.696 -12.200 1.00 0.53 H new ATOM 0 HB1 ALA A 111 -1.367 -6.459 -12.589 1.00 0.48 H new ATOM 0 HB2 ALA A 111 -2.769 -5.367 -12.490 1.00 0.48 H new ATOM 0 HB3 ALA A 111 -1.659 -5.516 -11.108 1.00 0.48 H new ATOM 1386 N GLY A 112 -1.889 -7.994 -9.365 1.00 0.53 N ATOM 1387 CA GLY A 112 -1.064 -8.889 -8.577 1.00 0.60 C ATOM 1388 C GLY A 112 0.345 -8.361 -8.394 1.00 0.58 C ATOM 1389 O GLY A 112 1.226 -9.075 -7.914 1.00 0.66 O ATOM 0 H GLY A 112 -2.280 -7.209 -8.845 1.00 0.53 H new ATOM 0 HA2 GLY A 112 -1.524 -9.038 -7.600 1.00 0.60 H new ATOM 0 HA3 GLY A 112 -1.024 -9.864 -9.062 1.00 0.60 H new ATOM 1393 N GLN A 113 0.554 -7.102 -8.759 1.00 0.52 N ATOM 1394 CA GLN A 113 1.879 -6.496 -8.709 1.00 0.54 C ATOM 1395 C GLN A 113 1.763 -4.981 -8.628 1.00 0.50 C ATOM 1396 O GLN A 113 0.748 -4.414 -9.033 1.00 0.48 O ATOM 1397 CB GLN A 113 2.677 -6.876 -9.958 1.00 0.60 C ATOM 1398 CG GLN A 113 2.014 -6.445 -11.260 1.00 0.61 C ATOM 1399 CD GLN A 113 2.902 -6.610 -12.481 1.00 0.81 C ATOM 1400 OE1 GLN A 113 2.421 -6.881 -13.581 1.00 1.45 O ATOM 1401 NE2 GLN A 113 4.201 -6.429 -12.311 1.00 0.87 N ATOM 0 H GLN A 113 -0.180 -6.479 -9.094 1.00 0.52 H new ATOM 0 HA GLN A 113 2.395 -6.865 -7.822 1.00 0.54 H new ATOM 0 HB2 GLN A 113 3.667 -6.425 -9.898 1.00 0.60 H new ATOM 0 HB3 GLN A 113 2.820 -7.957 -9.973 1.00 0.60 H new ATOM 0 HG2 GLN A 113 1.103 -7.026 -11.403 1.00 0.61 H new ATOM 0 HG3 GLN A 113 1.716 -5.400 -11.177 1.00 0.61 H new ATOM 0 HE21 GLN A 113 4.568 -6.205 -11.386 1.00 0.87 H new ATOM 0 HE22 GLN A 113 4.836 -6.513 -13.105 1.00 0.87 H new ATOM 1410 N PRO A 114 2.791 -4.300 -8.083 1.00 0.53 N ATOM 1411 CA PRO A 114 2.855 -2.838 -8.085 1.00 0.52 C ATOM 1412 C PRO A 114 2.976 -2.290 -9.501 1.00 0.54 C ATOM 1413 O PRO A 114 4.078 -2.175 -10.041 1.00 0.62 O ATOM 1414 CB PRO A 114 4.124 -2.513 -7.283 1.00 0.57 C ATOM 1415 CG PRO A 114 4.460 -3.765 -6.549 1.00 0.68 C ATOM 1416 CD PRO A 114 3.954 -4.896 -7.402 1.00 0.60 C ATOM 0 HA PRO A 114 1.955 -2.392 -7.661 1.00 0.52 H new ATOM 0 HB2 PRO A 114 4.939 -2.213 -7.942 1.00 0.57 H new ATOM 0 HB3 PRO A 114 3.952 -1.687 -6.593 1.00 0.57 H new ATOM 0 HG2 PRO A 114 5.535 -3.847 -6.390 1.00 0.68 H new ATOM 0 HG3 PRO A 114 3.991 -3.778 -5.565 1.00 0.68 H new ATOM 0 HD2 PRO A 114 4.708 -5.235 -8.112 1.00 0.60 H new ATOM 0 HD3 PRO A 114 3.671 -5.760 -6.801 1.00 0.60 H new ATOM 1424 N VAL A 115 1.839 -1.985 -10.107 1.00 0.51 N ATOM 1425 CA VAL A 115 1.806 -1.436 -11.453 1.00 0.53 C ATOM 1426 C VAL A 115 2.314 0.003 -11.465 1.00 0.49 C ATOM 1427 O VAL A 115 2.294 0.686 -10.436 1.00 0.45 O ATOM 1428 CB VAL A 115 0.380 -1.483 -12.050 1.00 0.54 C ATOM 1429 CG1 VAL A 115 -0.095 -2.919 -12.182 1.00 0.65 C ATOM 1430 CG2 VAL A 115 -0.593 -0.669 -11.206 1.00 0.47 C ATOM 0 H VAL A 115 0.920 -2.110 -9.683 1.00 0.51 H new ATOM 0 HA VAL A 115 2.460 -2.054 -12.068 1.00 0.53 H new ATOM 0 HB VAL A 115 0.414 -1.038 -13.045 1.00 0.54 H new ATOM 0 HG11 VAL A 115 -1.100 -2.932 -12.604 1.00 0.65 H new ATOM 0 HG12 VAL A 115 0.581 -3.467 -12.838 1.00 0.65 H new ATOM 0 HG13 VAL A 115 -0.108 -3.390 -11.199 1.00 0.65 H new ATOM 0 HG21 VAL A 115 -1.588 -0.719 -11.648 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.624 -1.074 -10.195 1.00 0.47 H new ATOM 0 HG23 VAL A 115 -0.263 0.369 -11.171 1.00 0.47 H new ATOM 1440 N PRO A 116 2.802 0.472 -12.625 1.00 0.56 N ATOM 1441 CA PRO A 116 3.284 1.844 -12.785 1.00 0.58 C ATOM 1442 C PRO A 116 2.163 2.856 -12.586 1.00 0.48 C ATOM 1443 O PRO A 116 1.104 2.755 -13.212 1.00 0.55 O ATOM 1444 CB PRO A 116 3.798 1.893 -14.230 1.00 0.72 C ATOM 1445 CG PRO A 116 3.959 0.470 -14.637 1.00 0.85 C ATOM 1446 CD PRO A 116 2.925 -0.299 -13.871 1.00 0.69 C ATOM 0 HA PRO A 116 4.049 2.097 -12.050 1.00 0.58 H new ATOM 0 HB2 PRO A 116 3.094 2.411 -14.881 1.00 0.72 H new ATOM 0 HB3 PRO A 116 4.745 2.430 -14.293 1.00 0.72 H new ATOM 0 HG2 PRO A 116 3.816 0.353 -15.711 1.00 0.85 H new ATOM 0 HG3 PRO A 116 4.962 0.110 -14.408 1.00 0.85 H new ATOM 0 HD2 PRO A 116 1.979 -0.351 -14.409 1.00 0.69 H new ATOM 0 HD3 PRO A 116 3.241 -1.325 -13.682 1.00 0.69 H new ATOM 1454 N VAL A 117 2.387 3.826 -11.714 1.00 0.46 N ATOM 1455 CA VAL A 117 1.367 4.809 -11.403 1.00 0.44 C ATOM 1456 C VAL A 117 1.233 5.839 -12.526 1.00 0.49 C ATOM 1457 O VAL A 117 1.980 6.818 -12.602 1.00 0.61 O ATOM 1458 CB VAL A 117 1.624 5.506 -10.042 1.00 0.58 C ATOM 1459 CG1 VAL A 117 3.020 6.112 -9.974 1.00 0.99 C ATOM 1460 CG2 VAL A 117 0.559 6.559 -9.772 1.00 1.25 C ATOM 0 H VAL A 117 3.265 3.952 -11.211 1.00 0.46 H new ATOM 0 HA VAL A 117 0.423 4.271 -11.317 1.00 0.44 H new ATOM 0 HB VAL A 117 1.564 4.746 -9.263 1.00 0.58 H new ATOM 0 HG11 VAL A 117 3.162 6.591 -9.005 1.00 0.99 H new ATOM 0 HG12 VAL A 117 3.764 5.326 -10.103 1.00 0.99 H new ATOM 0 HG13 VAL A 117 3.134 6.853 -10.765 1.00 0.99 H new ATOM 0 HG21 VAL A 117 0.756 7.038 -8.813 1.00 1.25 H new ATOM 0 HG22 VAL A 117 0.580 7.309 -10.563 1.00 1.25 H new ATOM 0 HG23 VAL A 117 -0.423 6.086 -9.747 1.00 1.25 H new ATOM 1470 N GLU A 118 0.299 5.576 -13.430 1.00 0.57 N ATOM 1471 CA GLU A 118 -0.034 6.520 -14.484 1.00 0.70 C ATOM 1472 C GLU A 118 -0.536 7.822 -13.874 1.00 0.71 C ATOM 1473 O GLU A 118 -1.186 7.816 -12.823 1.00 0.66 O ATOM 1474 CB GLU A 118 -1.115 5.938 -15.396 1.00 0.84 C ATOM 1475 CG GLU A 118 -0.745 4.606 -16.024 1.00 1.34 C ATOM 1476 CD GLU A 118 -1.789 4.132 -17.016 1.00 1.95 C ATOM 1477 OE1 GLU A 118 -2.850 3.640 -16.578 1.00 2.63 O ATOM 1478 OE2 GLU A 118 -1.552 4.256 -18.234 1.00 2.31 O ATOM 0 H GLU A 118 -0.243 4.712 -13.453 1.00 0.57 H new ATOM 0 HA GLU A 118 0.863 6.714 -15.072 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -2.032 5.814 -14.821 1.00 0.84 H new ATOM 0 HB3 GLU A 118 -1.330 6.654 -16.189 1.00 0.84 H new ATOM 0 HG2 GLU A 118 0.217 4.698 -16.528 1.00 1.34 H new ATOM 0 HG3 GLU A 118 -0.624 3.858 -15.241 1.00 1.34 H new ATOM 1485 N CYS A 119 -0.249 8.928 -14.557 1.00 0.84 N ATOM 1486 CA CYS A 119 -0.634 10.261 -14.102 1.00 0.88 C ATOM 1487 C CYS A 119 -2.150 10.360 -13.966 1.00 0.79 C ATOM 1488 O CYS A 119 -2.665 11.196 -13.226 1.00 0.76 O ATOM 1489 CB CYS A 119 -0.116 11.319 -15.083 1.00 1.11 C ATOM 1490 SG CYS A 119 -0.447 13.029 -14.586 1.00 2.07 S ATOM 0 H CYS A 119 0.258 8.925 -15.442 1.00 0.84 H new ATOM 0 HA CYS A 119 -0.189 10.440 -13.123 1.00 0.88 H new ATOM 0 HB2 CYS A 119 0.960 11.190 -15.202 1.00 1.11 H new ATOM 0 HB3 CYS A 119 -0.568 11.144 -16.059 1.00 1.11 H new ATOM 0 HG CYS A 119 -1.480 13.059 -13.797 1.00 2.07 H new ATOM 1496 N ARG A 120 -2.851 9.478 -14.670 1.00 0.82 N ATOM 1497 CA ARG A 120 -4.303 9.368 -14.579 1.00 0.82 C ATOM 1498 C ARG A 120 -4.760 9.099 -13.137 1.00 0.68 C ATOM 1499 O ARG A 120 -5.911 9.347 -12.787 1.00 0.77 O ATOM 1500 CB ARG A 120 -4.793 8.236 -15.484 1.00 0.98 C ATOM 1501 CG ARG A 120 -4.477 8.445 -16.957 1.00 1.58 C ATOM 1502 CD ARG A 120 -4.743 7.183 -17.764 1.00 2.22 C ATOM 1503 NE ARG A 120 -4.523 7.386 -19.195 1.00 2.86 N ATOM 1504 CZ ARG A 120 -4.279 6.405 -20.064 1.00 3.77 C ATOM 1505 NH1 ARG A 120 -4.172 5.146 -19.650 1.00 4.23 N ATOM 1506 NH2 ARG A 120 -4.134 6.690 -21.352 1.00 4.59 N ATOM 0 H ARG A 120 -2.428 8.817 -15.322 1.00 0.82 H new ATOM 0 HA ARG A 120 -4.730 10.318 -14.901 1.00 0.82 H new ATOM 0 HB2 ARG A 120 -4.342 7.300 -15.155 1.00 0.98 H new ATOM 0 HB3 ARG A 120 -5.871 8.130 -15.365 1.00 0.98 H new ATOM 0 HG2 ARG A 120 -5.081 9.263 -17.348 1.00 1.58 H new ATOM 0 HG3 ARG A 120 -3.433 8.738 -17.069 1.00 1.58 H new ATOM 0 HD2 ARG A 120 -4.094 6.383 -17.408 1.00 2.22 H new ATOM 0 HD3 ARG A 120 -5.770 6.858 -17.599 1.00 2.22 H new ATOM 0 HE ARG A 120 -4.559 8.341 -19.552 1.00 2.86 H new ATOM 0 HH11 ARG A 120 -4.277 4.924 -18.660 1.00 4.23 H new ATOM 0 HH12 ARG A 120 -3.985 4.402 -20.322 1.00 4.23 H new ATOM 0 HH21 ARG A 120 -4.209 7.655 -21.672 1.00 4.59 H new ATOM 0 HH22 ARG A 120 -3.947 5.944 -22.022 1.00 4.59 H new ATOM 1520 N HIS A 121 -3.854 8.584 -12.306 1.00 0.57 N ATOM 1521 CA HIS A 121 -4.175 8.261 -10.914 1.00 0.56 C ATOM 1522 C HIS A 121 -3.524 9.268 -9.967 1.00 0.50 C ATOM 1523 O HIS A 121 -3.668 9.180 -8.753 1.00 0.63 O ATOM 1524 CB HIS A 121 -3.692 6.848 -10.564 1.00 0.66 C ATOM 1525 CG HIS A 121 -4.256 5.767 -11.437 1.00 0.72 C ATOM 1526 ND1 HIS A 121 -3.592 5.268 -12.535 1.00 1.34 N ATOM 1527 CD2 HIS A 121 -5.415 5.072 -11.356 1.00 1.33 C ATOM 1528 CE1 HIS A 121 -4.319 4.312 -13.090 1.00 1.34 C ATOM 1529 NE2 HIS A 121 -5.428 4.170 -12.392 1.00 1.22 N ATOM 0 H HIS A 121 -2.890 8.381 -12.572 1.00 0.57 H new ATOM 0 HA HIS A 121 -5.258 8.308 -10.798 1.00 0.56 H new ATOM 0 HB2 HIS A 121 -2.604 6.822 -10.631 1.00 0.66 H new ATOM 0 HB3 HIS A 121 -3.953 6.634 -9.527 1.00 0.66 H new ATOM 0 HD2 HIS A 121 -6.188 5.203 -10.613 1.00 1.33 H new ATOM 0 HE1 HIS A 121 -4.049 3.743 -13.968 1.00 1.34 H new ATOM 0 HE2 HIS A 121 -6.173 3.501 -12.589 1.00 1.22 H new ATOM 1538 N ARG A 122 -2.824 10.229 -10.550 1.00 0.49 N ATOM 1539 CA ARG A 122 -2.034 11.206 -9.808 1.00 0.50 C ATOM 1540 C ARG A 122 -2.782 12.539 -9.728 1.00 0.62 C ATOM 1541 O ARG A 122 -2.180 13.603 -9.818 1.00 1.05 O ATOM 1542 CB ARG A 122 -0.670 11.389 -10.472 1.00 0.64 C ATOM 1543 CG ARG A 122 0.363 12.062 -9.583 1.00 0.75 C ATOM 1544 CD ARG A 122 1.599 12.432 -10.375 1.00 0.95 C ATOM 1545 NE ARG A 122 1.280 13.383 -11.438 1.00 1.67 N ATOM 1546 CZ ARG A 122 2.184 14.116 -12.091 1.00 2.32 C ATOM 1547 NH1 ARG A 122 3.469 14.043 -11.771 1.00 2.38 N ATOM 1548 NH2 ARG A 122 1.792 14.935 -13.064 1.00 3.30 N ATOM 0 H ARG A 122 -2.786 10.356 -11.561 1.00 0.49 H new ATOM 0 HA ARG A 122 -1.877 10.840 -8.793 1.00 0.50 H new ATOM 0 HB2 ARG A 122 -0.292 10.413 -10.777 1.00 0.64 H new ATOM 0 HB3 ARG A 122 -0.795 11.980 -11.379 1.00 0.64 H new ATOM 0 HG2 ARG A 122 -0.067 12.957 -9.133 1.00 0.75 H new ATOM 0 HG3 ARG A 122 0.636 11.394 -8.766 1.00 0.75 H new ATOM 0 HD2 ARG A 122 2.345 12.864 -9.709 1.00 0.95 H new ATOM 0 HD3 ARG A 122 2.040 11.534 -10.807 1.00 0.95 H new ATOM 0 HE ARG A 122 0.300 13.494 -11.698 1.00 1.67 H new ATOM 0 HH11 ARG A 122 3.773 13.423 -11.020 1.00 2.38 H new ATOM 0 HH12 ARG A 122 4.153 14.607 -12.276 1.00 2.38 H new ATOM 0 HH21 ARG A 122 0.804 15.001 -13.308 1.00 3.30 H new ATOM 0 HH22 ARG A 122 2.480 15.497 -13.566 1.00 3.30 H new ATOM 1562 N LEU A 123 -4.107 12.441 -9.640 1.00 0.57 N ATOM 1563 CA LEU A 123 -5.041 13.580 -9.788 1.00 0.82 C ATOM 1564 C LEU A 123 -4.711 14.825 -8.938 1.00 0.73 C ATOM 1565 O LEU A 123 -5.382 15.843 -9.079 1.00 1.31 O ATOM 1566 CB LEU A 123 -6.477 13.132 -9.463 1.00 1.23 C ATOM 1567 CG LEU A 123 -6.808 12.950 -7.971 1.00 0.98 C ATOM 1568 CD1 LEU A 123 -8.306 12.765 -7.776 1.00 1.12 C ATOM 1569 CD2 LEU A 123 -6.060 11.762 -7.383 1.00 1.47 C ATOM 0 H LEU A 123 -4.581 11.556 -9.461 1.00 0.57 H new ATOM 0 HA LEU A 123 -4.934 13.886 -10.829 1.00 0.82 H new ATOM 0 HB2 LEU A 123 -7.168 13.864 -9.881 1.00 1.23 H new ATOM 0 HB3 LEU A 123 -6.666 12.188 -9.974 1.00 1.23 H new ATOM 0 HG LEU A 123 -6.489 13.851 -7.448 1.00 0.98 H new ATOM 0 HD11 LEU A 123 -8.522 12.638 -6.715 1.00 1.12 H new ATOM 0 HD12 LEU A 123 -8.833 13.643 -8.151 1.00 1.12 H new ATOM 0 HD13 LEU A 123 -8.638 11.882 -8.322 1.00 1.12 H new ATOM 0 HD21 LEU A 123 -6.314 11.658 -6.328 1.00 1.47 H new ATOM 0 HD22 LEU A 123 -6.343 10.854 -7.915 1.00 1.47 H new ATOM 0 HD23 LEU A 123 -4.987 11.922 -7.484 1.00 1.47 H new ATOM 1581 N GLU A 124 -3.716 14.746 -8.068 1.00 0.59 N ATOM 1582 CA GLU A 124 -3.290 15.891 -7.266 1.00 0.63 C ATOM 1583 C GLU A 124 -2.937 17.086 -8.156 1.00 0.79 C ATOM 1584 O GLU A 124 -2.455 16.870 -9.288 1.00 1.47 O ATOM 1585 CB GLU A 124 -2.099 15.499 -6.383 1.00 0.93 C ATOM 1586 CG GLU A 124 -0.845 15.054 -7.137 1.00 1.70 C ATOM 1587 CD GLU A 124 0.111 16.197 -7.436 1.00 2.39 C ATOM 1588 OE1 GLU A 124 0.424 16.969 -6.506 1.00 2.69 O ATOM 1589 OE2 GLU A 124 0.576 16.316 -8.591 1.00 3.01 O ATOM 1590 OXT GLU A 124 -3.142 18.238 -7.718 1.00 1.11 O ATOM 0 H GLU A 124 -3.182 13.894 -7.896 1.00 0.59 H new ATOM 0 HA GLU A 124 -4.119 16.191 -6.624 1.00 0.63 H new ATOM 0 HB2 GLU A 124 -1.841 16.349 -5.751 1.00 0.93 H new ATOM 0 HB3 GLU A 124 -2.410 14.692 -5.720 1.00 0.93 H new ATOM 0 HG2 GLU A 124 -0.325 14.298 -6.549 1.00 1.70 H new ATOM 0 HG3 GLU A 124 -1.141 14.582 -8.074 1.00 1.70 H new