USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 628 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 47 TYR OH : rot -84:sc= 0.604 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -4.05! C(o=-3.4!,f=-4.2!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.29 K(o=-1.3,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 3 -13.800 -0.977 5.998 1.00 0.00 N ATOM 43 CA LEU A 3 -12.412 -1.134 5.577 1.00 0.00 C ATOM 44 C LEU A 3 -11.912 -2.546 5.863 1.00 0.00 C ATOM 45 O LEU A 3 -12.445 -3.242 6.728 1.00 0.00 O ATOM 46 CB LEU A 3 -11.523 -0.113 6.290 1.00 0.00 C ATOM 47 CG LEU A 3 -11.914 1.355 6.114 1.00 0.00 C ATOM 48 CD1 LEU A 3 -11.041 2.248 6.983 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.808 1.763 4.652 1.00 0.00 C ATOM 0 HA LEU A 3 -12.363 -0.962 4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.522 -0.343 7.355 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.500 -0.241 5.935 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.950 1.476 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.334 3.289 6.845 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.167 1.972 8.030 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.996 2.124 6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.090 2.810 4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.782 1.627 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.476 1.145 4.052 1.00 0.00 H new ATOM 61 N VAL A 4 -10.884 -2.965 5.132 1.00 0.00 N ATOM 62 CA VAL A 4 -10.310 -4.293 5.308 1.00 0.00 C ATOM 63 C VAL A 4 -8.798 -4.269 5.112 1.00 0.00 C ATOM 64 O VAL A 4 -8.280 -3.500 4.303 1.00 0.00 O ATOM 65 CB VAL A 4 -10.928 -5.307 4.327 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.359 -5.634 4.728 1.00 0.00 C ATOM 67 CG2 VAL A 4 -10.873 -4.772 2.904 1.00 0.00 C ATOM 0 H VAL A 4 -10.431 -2.403 4.411 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.536 -4.602 6.328 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.346 -6.227 4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.779 -6.352 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.367 -6.062 5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -12.957 -4.723 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.314 -5.501 2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.430 -3.837 2.845 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.835 -4.594 2.622 1.00 0.00 H new ATOM 77 N GLU A 5 -8.097 -5.117 5.857 1.00 0.00 N ATOM 78 CA GLU A 5 -6.643 -5.193 5.764 1.00 0.00 C ATOM 79 C GLU A 5 -6.217 -6.024 4.557 1.00 0.00 C ATOM 80 O GLU A 5 -6.419 -7.239 4.525 1.00 0.00 O ATOM 81 CB GLU A 5 -6.059 -5.795 7.044 1.00 0.00 C ATOM 82 CG GLU A 5 -4.555 -6.001 6.987 1.00 0.00 C ATOM 83 CD GLU A 5 -4.049 -6.911 8.090 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.155 -6.525 9.273 1.00 0.00 O ATOM 85 OE2 GLU A 5 -3.547 -8.008 7.770 1.00 0.00 O ATOM 0 H GLU A 5 -8.511 -5.761 6.531 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.259 -4.180 5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.296 -5.142 7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.542 -6.753 7.238 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.286 -6.425 6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.056 -5.035 7.061 1.00 0.00 H new ATOM 92 N ILE A 6 -5.629 -5.361 3.568 1.00 0.00 N ATOM 93 CA ILE A 6 -5.175 -6.038 2.359 1.00 0.00 C ATOM 94 C ILE A 6 -3.697 -6.400 2.455 1.00 0.00 C ATOM 95 O ILE A 6 -3.283 -7.480 2.035 1.00 0.00 O ATOM 96 CB ILE A 6 -5.399 -5.168 1.109 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.905 -3.742 1.358 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.870 -5.165 0.722 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.915 -2.874 0.119 1.00 0.00 C ATOM 0 H ILE A 6 -5.455 -4.356 3.579 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.765 -6.950 2.267 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.827 -5.591 0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.529 -3.278 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.891 -3.782 1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.012 -4.545 -0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.192 -6.184 0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.462 -4.763 1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.552 -1.877 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.268 -3.315 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.932 -2.804 -0.268 1.00 0.00 H new ATOM 111 N GLY A 7 -2.905 -5.490 3.014 1.00 0.00 N ATOM 112 CA GLY A 7 -1.481 -5.733 3.157 1.00 0.00 C ATOM 113 C GLY A 7 -0.845 -4.848 4.211 1.00 0.00 C ATOM 114 O GLY A 7 -1.510 -3.994 4.797 1.00 0.00 O ATOM 0 H GLY A 7 -3.224 -4.589 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.318 -6.779 3.419 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.989 -5.564 2.199 1.00 0.00 H new ATOM 118 N ARG A 8 0.446 -5.053 4.453 1.00 0.00 N ATOM 119 CA ARG A 8 1.171 -4.270 5.446 1.00 0.00 C ATOM 120 C ARG A 8 2.562 -3.902 4.938 1.00 0.00 C ATOM 121 O ARG A 8 3.231 -4.709 4.291 1.00 0.00 O ATOM 122 CB ARG A 8 1.284 -5.048 6.758 1.00 0.00 C ATOM 123 CG ARG A 8 2.125 -4.347 7.811 1.00 0.00 C ATOM 124 CD ARG A 8 3.589 -4.745 7.711 1.00 0.00 C ATOM 125 NE ARG A 8 4.368 -4.257 8.846 1.00 0.00 N ATOM 126 CZ ARG A 8 4.214 -4.702 10.088 1.00 0.00 C ATOM 127 NH1 ARG A 8 3.315 -5.640 10.353 1.00 0.00 N ATOM 128 NH2 ARG A 8 4.961 -4.210 11.068 1.00 0.00 N ATOM 0 H ARG A 8 1.011 -5.755 3.975 1.00 0.00 H new ATOM 0 HA ARG A 8 0.613 -3.351 5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.284 -5.217 7.157 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.716 -6.028 6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.032 -3.267 7.693 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.747 -4.593 8.803 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.667 -5.831 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.010 -4.350 6.786 1.00 0.00 H new ATOM 0 HE ARG A 8 5.068 -3.535 8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.740 -6.022 9.602 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.199 -5.980 11.308 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.654 -3.489 10.868 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.842 -4.553 12.021 1.00 0.00 H new ATOM 142 N PHE A 9 2.991 -2.680 5.235 1.00 0.00 N ATOM 143 CA PHE A 9 4.302 -2.206 4.808 1.00 0.00 C ATOM 144 C PHE A 9 5.413 -2.885 5.604 1.00 0.00 C ATOM 145 O PHE A 9 5.508 -2.724 6.820 1.00 0.00 O ATOM 146 CB PHE A 9 4.397 -0.687 4.973 1.00 0.00 C ATOM 147 CG PHE A 9 3.373 0.067 4.173 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.175 -0.218 2.832 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.610 1.062 4.763 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.234 0.476 2.094 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.667 1.758 4.030 1.00 0.00 C ATOM 152 CZ PHE A 9 1.479 1.464 2.694 1.00 0.00 C ATOM 0 H PHE A 9 2.450 -2.000 5.770 1.00 0.00 H new ATOM 0 HA PHE A 9 4.427 -2.460 3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.280 -0.436 6.027 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.393 -0.359 4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.762 -0.991 2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.754 1.296 5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.090 0.245 1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.078 2.531 4.502 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.743 2.006 2.119 1.00 0.00 H new ATOM 162 N GLY A 10 6.251 -3.646 4.907 1.00 0.00 N ATOM 163 CA GLY A 10 7.344 -4.340 5.564 1.00 0.00 C ATOM 164 C GLY A 10 8.559 -3.455 5.757 1.00 0.00 C ATOM 165 O GLY A 10 8.686 -2.776 6.776 1.00 0.00 O ATOM 0 H GLY A 10 6.193 -3.795 3.900 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.007 -4.706 6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.624 -5.212 4.973 1.00 0.00 H new ATOM 169 N ALA A 11 9.457 -3.464 4.777 1.00 0.00 N ATOM 170 CA ALA A 11 10.669 -2.656 4.844 1.00 0.00 C ATOM 171 C ALA A 11 10.670 -1.578 3.765 1.00 0.00 C ATOM 172 O ALA A 11 10.027 -1.708 2.724 1.00 0.00 O ATOM 173 CB ALA A 11 11.900 -3.539 4.712 1.00 0.00 C ATOM 0 H ALA A 11 9.368 -4.022 3.928 1.00 0.00 H new ATOM 0 HA ALA A 11 10.693 -2.161 5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.797 -2.922 4.764 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.913 -4.268 5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.873 -4.060 3.755 1.00 0.00 H new ATOM 179 N PRO A 12 11.408 -0.487 4.018 1.00 0.00 N ATOM 180 CA PRO A 12 11.511 0.634 3.080 1.00 0.00 C ATOM 181 C PRO A 12 12.299 0.271 1.826 1.00 0.00 C ATOM 182 O PRO A 12 13.447 -0.167 1.908 1.00 0.00 O ATOM 183 CB PRO A 12 12.251 1.704 3.886 1.00 0.00 C ATOM 184 CG PRO A 12 13.031 0.942 4.902 1.00 0.00 C ATOM 185 CD PRO A 12 12.201 -0.265 5.240 1.00 0.00 C ATOM 0 HA PRO A 12 10.534 0.953 2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.906 2.298 3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.554 2.396 4.359 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.004 0.649 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.216 1.549 5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.824 -1.127 5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.563 -0.085 6.106 1.00 0.00 H new ATOM 193 N TYR A 13 11.677 0.457 0.668 1.00 0.00 N ATOM 194 CA TYR A 13 12.320 0.147 -0.604 1.00 0.00 C ATOM 195 C TYR A 13 13.519 1.060 -0.844 1.00 0.00 C ATOM 196 O TYR A 13 13.804 1.952 -0.046 1.00 0.00 O ATOM 197 CB TYR A 13 11.320 0.287 -1.753 1.00 0.00 C ATOM 198 CG TYR A 13 11.743 -0.432 -3.014 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.909 -1.811 -3.028 1.00 0.00 C ATOM 200 CD2 TYR A 13 11.977 0.268 -4.191 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.296 -2.472 -4.178 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.362 -0.385 -5.346 1.00 0.00 C ATOM 203 CZ TYR A 13 12.521 -1.755 -5.334 1.00 0.00 C ATOM 204 OH TYR A 13 12.906 -2.409 -6.482 1.00 0.00 O ATOM 0 H TYR A 13 10.728 0.821 0.583 1.00 0.00 H new ATOM 0 HA TYR A 13 12.673 -0.884 -0.562 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.353 -0.100 -1.431 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.182 1.345 -1.977 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.733 -2.376 -2.125 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.856 1.341 -4.203 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.422 -3.545 -4.171 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.537 0.174 -6.253 1.00 0.00 H new ATOM 0 HH TYR A 13 13.022 -1.759 -7.206 1.00 0.00 H new ATOM 214 N ALA A 14 14.218 0.828 -1.951 1.00 0.00 N ATOM 215 CA ALA A 14 15.384 1.630 -2.299 1.00 0.00 C ATOM 216 C ALA A 14 15.119 3.114 -2.072 1.00 0.00 C ATOM 217 O ALA A 14 13.967 3.547 -2.014 1.00 0.00 O ATOM 218 CB ALA A 14 15.784 1.379 -3.746 1.00 0.00 C ATOM 0 H ALA A 14 13.997 0.092 -2.621 1.00 0.00 H new ATOM 0 HA ALA A 14 16.206 1.332 -1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.656 1.984 -3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.025 0.324 -3.879 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.958 1.648 -4.404 1.00 0.00 H new ATOM 224 N LEU A 15 16.190 3.889 -1.942 1.00 0.00 N ATOM 225 CA LEU A 15 16.072 5.326 -1.720 1.00 0.00 C ATOM 226 C LEU A 15 15.017 5.934 -2.637 1.00 0.00 C ATOM 227 O LEU A 15 14.427 6.968 -2.323 1.00 0.00 O ATOM 228 CB LEU A 15 17.421 6.009 -1.951 1.00 0.00 C ATOM 229 CG LEU A 15 18.640 5.311 -1.349 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.900 6.125 -1.600 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.440 5.080 0.142 1.00 0.00 C ATOM 0 H LEU A 15 17.150 3.547 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 15 15.763 5.485 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.577 6.106 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.368 7.019 -1.544 1.00 0.00 H new ATOM 0 HG LEU A 15 18.756 4.342 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.757 5.612 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 15 20.052 6.238 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.795 7.109 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.318 4.582 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.298 6.038 0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.561 4.455 0.299 1.00 0.00 H new ATOM 243 N LYS A 16 14.781 5.284 -3.772 1.00 0.00 N ATOM 244 CA LYS A 16 13.793 5.758 -4.734 1.00 0.00 C ATOM 245 C LYS A 16 12.555 6.295 -4.024 1.00 0.00 C ATOM 246 O LYS A 16 11.854 7.160 -4.547 1.00 0.00 O ATOM 247 CB LYS A 16 13.398 4.628 -5.688 1.00 0.00 C ATOM 248 CG LYS A 16 14.573 4.030 -6.442 1.00 0.00 C ATOM 249 CD LYS A 16 15.168 5.023 -7.426 1.00 0.00 C ATOM 250 CE LYS A 16 16.561 4.602 -7.869 1.00 0.00 C ATOM 251 NZ LYS A 16 17.608 5.052 -6.909 1.00 0.00 N ATOM 0 H LYS A 16 15.261 4.427 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 16 14.241 6.570 -5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.903 3.840 -5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.671 5.008 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 16 15.339 3.715 -5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.247 3.138 -6.976 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.518 5.108 -8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.214 6.010 -6.966 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.599 3.517 -7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.770 5.017 -8.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.543 4.746 -7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.589 6.089 -6.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 17.424 4.635 -5.974 1.00 0.00 H new ATOM 265 N GLY A 17 12.293 5.776 -2.828 1.00 0.00 N ATOM 266 CA GLY A 17 11.139 6.217 -2.065 1.00 0.00 C ATOM 267 C GLY A 17 10.026 5.188 -2.052 1.00 0.00 C ATOM 268 O GLY A 17 8.912 5.475 -1.614 1.00 0.00 O ATOM 0 H GLY A 17 12.859 5.059 -2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.444 6.431 -1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.763 7.149 -2.486 1.00 0.00 H new ATOM 272 N GLY A 18 10.326 3.987 -2.536 1.00 0.00 N ATOM 273 CA GLY A 18 9.330 2.931 -2.571 1.00 0.00 C ATOM 274 C GLY A 18 9.144 2.265 -1.222 1.00 0.00 C ATOM 275 O GLY A 18 10.022 2.334 -0.361 1.00 0.00 O ATOM 0 H GLY A 18 11.241 3.726 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.378 3.345 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.625 2.181 -3.305 1.00 0.00 H new ATOM 279 N LEU A 19 7.998 1.620 -1.036 1.00 0.00 N ATOM 280 CA LEU A 19 7.698 0.939 0.219 1.00 0.00 C ATOM 281 C LEU A 19 7.205 -0.481 -0.036 1.00 0.00 C ATOM 282 O LEU A 19 6.222 -0.689 -0.748 1.00 0.00 O ATOM 283 CB LEU A 19 6.647 1.722 1.008 1.00 0.00 C ATOM 284 CG LEU A 19 7.144 2.978 1.726 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.979 3.891 2.073 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.923 2.603 2.979 1.00 0.00 C ATOM 0 H LEU A 19 7.261 1.554 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 19 8.617 0.885 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.849 2.011 0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.206 1.055 1.749 1.00 0.00 H new ATOM 0 HG LEU A 19 7.813 3.517 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.352 4.779 2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.464 4.187 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.284 3.362 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.269 3.509 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.277 2.042 3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.781 1.990 2.704 1.00 0.00 H new ATOM 298 N ARG A 20 7.892 -1.455 0.552 1.00 0.00 N ATOM 299 CA ARG A 20 7.523 -2.856 0.389 1.00 0.00 C ATOM 300 C ARG A 20 6.147 -3.129 0.988 1.00 0.00 C ATOM 301 O ARG A 20 6.000 -3.249 2.204 1.00 0.00 O ATOM 302 CB ARG A 20 8.567 -3.760 1.048 1.00 0.00 C ATOM 303 CG ARG A 20 9.880 -3.831 0.286 1.00 0.00 C ATOM 304 CD ARG A 20 10.910 -4.668 1.028 1.00 0.00 C ATOM 305 NE ARG A 20 12.090 -4.935 0.210 1.00 0.00 N ATOM 306 CZ ARG A 20 13.050 -5.784 0.560 1.00 0.00 C ATOM 307 NH1 ARG A 20 12.969 -6.446 1.706 1.00 0.00 N ATOM 308 NH2 ARG A 20 14.093 -5.974 -0.238 1.00 0.00 N ATOM 0 H ARG A 20 8.707 -1.300 1.145 1.00 0.00 H new ATOM 0 HA ARG A 20 7.485 -3.074 -0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.762 -3.399 2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.157 -4.765 1.142 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.706 -4.258 -0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.269 -2.824 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.210 -4.150 1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.459 -5.612 1.332 1.00 0.00 H new ATOM 0 HE ARG A 20 12.182 -4.443 -0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.168 -6.304 2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.708 -7.097 1.972 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.158 -5.468 -1.121 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.829 -6.626 0.032 1.00 0.00 H new ATOM 322 N PHE A 21 5.141 -3.226 0.125 1.00 0.00 N ATOM 323 CA PHE A 21 3.775 -3.483 0.569 1.00 0.00 C ATOM 324 C PHE A 21 3.358 -4.914 0.241 1.00 0.00 C ATOM 325 O PHE A 21 3.232 -5.283 -0.926 1.00 0.00 O ATOM 326 CB PHE A 21 2.809 -2.495 -0.087 1.00 0.00 C ATOM 327 CG PHE A 21 1.377 -2.949 -0.059 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.638 -2.882 1.111 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.771 -3.443 -1.203 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.680 -3.299 1.139 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.546 -3.861 -1.181 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.272 -3.790 -0.008 1.00 0.00 C ATOM 0 H PHE A 21 5.245 -3.131 -0.885 1.00 0.00 H new ATOM 0 HA PHE A 21 3.739 -3.351 1.650 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.887 -1.533 0.419 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.111 -2.336 -1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.096 -2.500 2.011 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.334 -3.502 -2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.246 -3.241 2.057 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.007 -4.243 -2.080 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.301 -4.118 0.012 1.00 0.00 H new ATOM 342 N ARG A 22 3.145 -5.714 1.281 1.00 0.00 N ATOM 343 CA ARG A 22 2.743 -7.105 1.105 1.00 0.00 C ATOM 344 C ARG A 22 1.254 -7.281 1.389 1.00 0.00 C ATOM 345 O ARG A 22 0.844 -7.421 2.541 1.00 0.00 O ATOM 346 CB ARG A 22 3.560 -8.014 2.024 1.00 0.00 C ATOM 347 CG ARG A 22 3.155 -9.477 1.950 1.00 0.00 C ATOM 348 CD ARG A 22 3.786 -10.288 3.071 1.00 0.00 C ATOM 349 NE ARG A 22 3.875 -11.707 2.738 1.00 0.00 N ATOM 350 CZ ARG A 22 4.608 -12.578 3.423 1.00 0.00 C ATOM 351 NH1 ARG A 22 5.311 -12.177 4.473 1.00 0.00 N ATOM 352 NH2 ARG A 22 4.638 -13.853 3.057 1.00 0.00 N ATOM 0 H ARG A 22 3.244 -5.423 2.254 1.00 0.00 H new ATOM 0 HA ARG A 22 2.932 -7.384 0.068 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.615 -7.924 1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.453 -7.668 3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.070 -9.558 2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.455 -9.890 0.987 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.784 -9.902 3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.199 -10.166 3.981 1.00 0.00 H new ATOM 0 HE ARG A 22 3.346 -12.048 1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.290 -11.198 4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.873 -12.848 4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.098 -14.165 2.250 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.201 -14.521 3.583 1.00 0.00 H new ATOM 366 N GLY A 23 0.449 -7.272 0.331 1.00 0.00 N ATOM 367 CA GLY A 23 -0.985 -7.430 0.488 1.00 0.00 C ATOM 368 C GLY A 23 -1.600 -8.266 -0.617 1.00 0.00 C ATOM 369 O GLY A 23 -0.922 -8.635 -1.575 1.00 0.00 O ATOM 0 H GLY A 23 0.764 -7.158 -0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.193 -7.896 1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.457 -6.447 0.501 1.00 0.00 H new ATOM 373 N GLU A 24 -2.889 -8.565 -0.483 1.00 0.00 N ATOM 374 CA GLU A 24 -3.594 -9.364 -1.478 1.00 0.00 C ATOM 375 C GLU A 24 -3.348 -8.825 -2.883 1.00 0.00 C ATOM 376 O GLU A 24 -3.063 -7.643 -3.081 1.00 0.00 O ATOM 377 CB GLU A 24 -5.095 -9.380 -1.181 1.00 0.00 C ATOM 378 CG GLU A 24 -5.450 -10.068 0.126 1.00 0.00 C ATOM 379 CD GLU A 24 -6.829 -10.697 0.098 1.00 0.00 C ATOM 380 OE1 GLU A 24 -7.074 -11.553 -0.777 1.00 0.00 O ATOM 381 OE2 GLU A 24 -7.664 -10.332 0.953 1.00 0.00 O ATOM 0 H GLU A 24 -3.465 -8.266 0.304 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.210 -10.383 -1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.462 -8.354 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.613 -9.882 -1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.708 -10.837 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.402 -9.343 0.939 1.00 0.00 H new ATOM 388 N PRO A 25 -3.459 -9.710 -3.885 1.00 0.00 N ATOM 389 CA PRO A 25 -3.252 -9.347 -5.290 1.00 0.00 C ATOM 390 C PRO A 25 -4.364 -8.452 -5.827 1.00 0.00 C ATOM 391 O PRO A 25 -4.233 -7.855 -6.895 1.00 0.00 O ATOM 392 CB PRO A 25 -3.258 -10.697 -6.010 1.00 0.00 C ATOM 393 CG PRO A 25 -4.059 -11.593 -5.130 1.00 0.00 C ATOM 394 CD PRO A 25 -3.795 -11.134 -3.722 1.00 0.00 C ATOM 0 HA PRO A 25 -2.334 -8.777 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.703 -10.615 -7.001 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.246 -11.078 -6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.120 -11.528 -5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.766 -12.634 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.669 -11.270 -3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.977 -11.690 -3.265 1.00 0.00 H new ATOM 402 N VAL A 26 -5.459 -8.363 -5.078 1.00 0.00 N ATOM 403 CA VAL A 26 -6.594 -7.540 -5.479 1.00 0.00 C ATOM 404 C VAL A 26 -6.233 -6.059 -5.458 1.00 0.00 C ATOM 405 O VAL A 26 -6.978 -5.220 -5.966 1.00 0.00 O ATOM 406 CB VAL A 26 -7.809 -7.774 -4.560 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.600 -7.094 -3.215 1.00 0.00 C ATOM 408 CG2 VAL A 26 -9.083 -7.276 -5.226 1.00 0.00 C ATOM 0 H VAL A 26 -5.584 -8.850 -4.191 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.855 -7.833 -6.496 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.911 -8.845 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.468 -7.270 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.710 -7.502 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.472 -6.022 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.931 -7.449 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.994 -6.209 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.238 -7.813 -6.162 1.00 0.00 H new ATOM 418 N VAL A 27 -5.084 -5.744 -4.869 1.00 0.00 N ATOM 419 CA VAL A 27 -4.622 -4.364 -4.783 1.00 0.00 C ATOM 420 C VAL A 27 -4.302 -3.805 -6.165 1.00 0.00 C ATOM 421 O VAL A 27 -4.212 -2.590 -6.350 1.00 0.00 O ATOM 422 CB VAL A 27 -3.372 -4.244 -3.891 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.191 -4.960 -4.528 1.00 0.00 C ATOM 424 CG2 VAL A 27 -3.042 -2.782 -3.630 1.00 0.00 C ATOM 0 H VAL A 27 -4.456 -6.426 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.433 -3.786 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.583 -4.721 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.317 -4.865 -3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.432 -6.015 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.976 -4.514 -5.499 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.156 -2.716 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.851 -2.278 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.883 -2.303 -3.127 1.00 0.00 H new ATOM 434 N LEU A 28 -4.131 -4.698 -7.133 1.00 0.00 N ATOM 435 CA LEU A 28 -3.822 -4.295 -8.501 1.00 0.00 C ATOM 436 C LEU A 28 -5.034 -3.652 -9.167 1.00 0.00 C ATOM 437 O LEU A 28 -4.954 -3.177 -10.300 1.00 0.00 O ATOM 438 CB LEU A 28 -3.358 -5.502 -9.317 1.00 0.00 C ATOM 439 CG LEU A 28 -2.179 -6.288 -8.743 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.737 -7.373 -9.713 1.00 0.00 C ATOM 441 CD2 LEU A 28 -1.021 -5.354 -8.421 1.00 0.00 C ATOM 0 H LEU A 28 -4.201 -5.706 -6.996 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.019 -3.559 -8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.201 -6.183 -9.432 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.088 -5.158 -10.315 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.502 -6.766 -7.818 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.897 -7.922 -9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.565 -8.059 -9.893 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.432 -6.917 -10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.191 -5.931 -8.013 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.699 -4.847 -9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.343 -4.614 -7.688 1.00 0.00 H new ATOM 453 N HIS A 29 -6.156 -3.638 -8.454 1.00 0.00 N ATOM 454 CA HIS A 29 -7.385 -3.050 -8.975 1.00 0.00 C ATOM 455 C HIS A 29 -7.782 -1.816 -8.169 1.00 0.00 C ATOM 456 O HIS A 29 -8.843 -1.232 -8.391 1.00 0.00 O ATOM 457 CB HIS A 29 -8.518 -4.077 -8.948 1.00 0.00 C ATOM 458 CG HIS A 29 -8.462 -5.060 -10.076 1.00 0.00 C ATOM 459 ND1 HIS A 29 -9.120 -4.870 -11.273 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.820 -6.246 -10.186 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.887 -5.898 -12.070 1.00 0.00 C ATOM 462 NE2 HIS A 29 -8.100 -6.747 -11.434 1.00 0.00 N ATOM 0 H HIS A 29 -6.239 -4.027 -7.515 1.00 0.00 H new ATOM 0 HA HIS A 29 -7.204 -2.746 -10.006 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.484 -4.619 -8.003 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.473 -3.553 -8.981 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -7.202 -6.712 -9.433 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.274 -6.023 -13.071 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.756 -7.631 -11.809 1.00 0.00 H new ATOM 470 N LEU A 30 -6.923 -1.426 -7.234 1.00 0.00 N ATOM 471 CA LEU A 30 -7.184 -0.262 -6.394 1.00 0.00 C ATOM 472 C LEU A 30 -6.461 0.969 -6.931 1.00 0.00 C ATOM 473 O LEU A 30 -5.557 0.858 -7.758 1.00 0.00 O ATOM 474 CB LEU A 30 -6.744 -0.538 -4.955 1.00 0.00 C ATOM 475 CG LEU A 30 -7.665 -1.442 -4.134 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.944 -1.957 -2.898 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.933 -0.697 -3.742 1.00 0.00 C ATOM 0 H LEU A 30 -6.040 -1.898 -7.038 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.256 -0.067 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.752 -0.989 -4.980 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.647 0.416 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.945 -2.297 -4.749 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.615 -2.598 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.066 -2.528 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.634 -1.114 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.576 -1.356 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.672 0.177 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.460 -0.378 -4.641 1.00 0.00 H new ATOM 489 N GLU A 31 -6.865 2.142 -6.452 1.00 0.00 N ATOM 490 CA GLU A 31 -6.254 3.394 -6.883 1.00 0.00 C ATOM 491 C GLU A 31 -5.563 4.092 -5.716 1.00 0.00 C ATOM 492 O GLU A 31 -4.489 4.674 -5.875 1.00 0.00 O ATOM 493 CB GLU A 31 -7.310 4.319 -7.492 1.00 0.00 C ATOM 494 CG GLU A 31 -6.863 5.767 -7.597 1.00 0.00 C ATOM 495 CD GLU A 31 -5.871 5.991 -8.722 1.00 0.00 C ATOM 496 OE1 GLU A 31 -5.020 5.105 -8.946 1.00 0.00 O ATOM 497 OE2 GLU A 31 -5.945 7.052 -9.376 1.00 0.00 O ATOM 0 H GLU A 31 -7.612 2.251 -5.766 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.505 3.162 -7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.570 3.955 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.216 4.270 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.735 6.402 -7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.412 6.073 -6.653 1.00 0.00 H new ATOM 504 N ARG A 32 -6.186 4.031 -4.544 1.00 0.00 N ATOM 505 CA ARG A 32 -5.632 4.659 -3.351 1.00 0.00 C ATOM 506 C ARG A 32 -5.467 3.640 -2.227 1.00 0.00 C ATOM 507 O ARG A 32 -5.746 2.454 -2.405 1.00 0.00 O ATOM 508 CB ARG A 32 -6.533 5.805 -2.886 1.00 0.00 C ATOM 509 CG ARG A 32 -7.798 5.339 -2.184 1.00 0.00 C ATOM 510 CD ARG A 32 -8.624 6.514 -1.686 1.00 0.00 C ATOM 511 NE ARG A 32 -9.103 7.350 -2.784 1.00 0.00 N ATOM 512 CZ ARG A 32 -10.014 8.306 -2.636 1.00 0.00 C ATOM 513 NH1 ARG A 32 -10.541 8.546 -1.443 1.00 0.00 N ATOM 514 NH2 ARG A 32 -10.399 9.025 -3.683 1.00 0.00 N ATOM 0 H ARG A 32 -7.075 3.553 -4.395 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.650 5.058 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.969 6.448 -2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.809 6.412 -3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.395 4.738 -2.869 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.534 4.697 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.475 6.143 -1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.023 7.118 -1.006 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.717 7.191 -3.715 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -10.247 7.996 -0.636 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.240 9.281 -1.333 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.996 8.844 -4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.098 9.759 -3.569 1.00 0.00 H new ATOM 528 N VAL A 33 -5.012 4.110 -1.070 1.00 0.00 N ATOM 529 CA VAL A 33 -4.810 3.241 0.082 1.00 0.00 C ATOM 530 C VAL A 33 -4.998 4.006 1.388 1.00 0.00 C ATOM 531 O VAL A 33 -5.205 5.220 1.383 1.00 0.00 O ATOM 532 CB VAL A 33 -3.406 2.608 0.069 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.313 1.536 -1.006 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.342 3.676 -0.138 1.00 0.00 C ATOM 0 H VAL A 33 -4.776 5.089 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.558 2.451 0.016 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.231 2.135 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.314 1.100 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.050 0.757 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.509 1.981 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.356 3.211 -0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.512 4.179 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.395 4.404 0.672 1.00 0.00 H new ATOM 544 N TYR A 34 -4.924 3.289 2.503 1.00 0.00 N ATOM 545 CA TYR A 34 -5.089 3.900 3.817 1.00 0.00 C ATOM 546 C TYR A 34 -3.955 3.491 4.753 1.00 0.00 C ATOM 547 O TYR A 34 -3.768 2.309 5.042 1.00 0.00 O ATOM 548 CB TYR A 34 -6.435 3.501 4.423 1.00 0.00 C ATOM 549 CG TYR A 34 -6.656 4.044 5.817 1.00 0.00 C ATOM 550 CD1 TYR A 34 -5.980 5.174 6.259 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.542 3.427 6.692 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.178 5.673 7.532 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.748 3.920 7.966 1.00 0.00 C ATOM 554 CZ TYR A 34 -7.063 5.043 8.381 1.00 0.00 C ATOM 555 OH TYR A 34 -7.264 5.537 9.649 1.00 0.00 O ATOM 0 H TYR A 34 -4.751 2.284 2.524 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.061 4.983 3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.236 3.854 3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.504 2.414 4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.288 5.671 5.596 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.079 2.547 6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.643 6.552 7.860 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.441 3.429 8.633 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.919 4.978 10.118 1.00 0.00 H new ATOM 565 N VAL A 35 -3.201 4.479 5.225 1.00 0.00 N ATOM 566 CA VAL A 35 -2.087 4.225 6.130 1.00 0.00 C ATOM 567 C VAL A 35 -2.548 4.229 7.583 1.00 0.00 C ATOM 568 O VAL A 35 -2.647 5.283 8.210 1.00 0.00 O ATOM 569 CB VAL A 35 -0.971 5.272 5.954 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.235 4.917 6.811 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.578 5.391 4.489 1.00 0.00 C ATOM 0 H VAL A 35 -3.342 5.463 4.995 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.693 3.240 5.879 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.349 6.239 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.013 5.668 6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.060 4.888 7.860 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.617 3.940 6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.211 6.135 4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.219 4.427 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.445 5.696 3.903 1.00 0.00 H new ATOM 581 N GLU A 36 -2.826 3.041 8.113 1.00 0.00 N ATOM 582 CA GLU A 36 -3.277 2.908 9.493 1.00 0.00 C ATOM 583 C GLU A 36 -2.230 3.449 10.462 1.00 0.00 C ATOM 584 O GLU A 36 -1.252 2.773 10.778 1.00 0.00 O ATOM 585 CB GLU A 36 -3.577 1.443 9.816 1.00 0.00 C ATOM 586 CG GLU A 36 -3.863 1.190 11.286 1.00 0.00 C ATOM 587 CD GLU A 36 -5.335 1.322 11.626 1.00 0.00 C ATOM 588 OE1 GLU A 36 -6.162 1.330 10.690 1.00 0.00 O ATOM 589 OE2 GLU A 36 -5.660 1.418 12.828 1.00 0.00 O ATOM 0 H GLU A 36 -2.747 2.158 7.608 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.190 3.492 9.608 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.434 1.118 9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.729 0.831 9.509 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.521 0.190 11.552 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.290 1.894 11.890 1.00 0.00 H new ATOM 596 N GLY A 37 -2.442 4.676 10.930 1.00 0.00 N ATOM 597 CA GLY A 37 -1.508 5.288 11.857 1.00 0.00 C ATOM 598 C GLY A 37 -1.358 6.779 11.628 1.00 0.00 C ATOM 599 O GLY A 37 -1.268 7.555 12.580 1.00 0.00 O ATOM 0 H GLY A 37 -3.244 5.257 10.684 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.846 5.112 12.878 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.534 4.808 11.757 1.00 0.00 H new ATOM 603 N HIS A 38 -1.328 7.182 10.361 1.00 0.00 N ATOM 604 CA HIS A 38 -1.186 8.590 10.010 1.00 0.00 C ATOM 605 C HIS A 38 -2.425 9.096 9.278 1.00 0.00 C ATOM 606 O HIS A 38 -3.273 9.769 9.863 1.00 0.00 O ATOM 607 CB HIS A 38 0.055 8.798 9.141 1.00 0.00 C ATOM 608 CG HIS A 38 1.343 8.603 9.879 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.550 9.097 9.431 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.609 7.963 11.042 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.502 8.769 10.285 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.958 8.081 11.272 1.00 0.00 N ATOM 0 H HIS A 38 -1.400 6.553 9.561 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.074 9.159 10.933 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.019 8.106 8.300 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.033 9.806 8.726 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.894 7.454 11.672 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.548 9.021 10.192 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.458 7.699 12.075 1.00 0.00 H new ATOM 620 N GLY A 39 -2.523 8.766 7.993 1.00 0.00 N ATOM 621 CA GLY A 39 -3.662 9.196 7.202 1.00 0.00 C ATOM 622 C GLY A 39 -3.832 8.376 5.939 1.00 0.00 C ATOM 623 O GLY A 39 -3.057 7.455 5.679 1.00 0.00 O ATOM 0 H GLY A 39 -1.835 8.209 7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.568 9.122 7.804 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.541 10.246 6.936 1.00 0.00 H new ATOM 627 N TRP A 40 -4.849 8.709 5.152 1.00 0.00 N ATOM 628 CA TRP A 40 -5.120 7.995 3.909 1.00 0.00 C ATOM 629 C TRP A 40 -4.187 8.464 2.798 1.00 0.00 C ATOM 630 O TRP A 40 -4.153 9.648 2.463 1.00 0.00 O ATOM 631 CB TRP A 40 -6.576 8.196 3.489 1.00 0.00 C ATOM 632 CG TRP A 40 -7.516 7.209 4.113 1.00 0.00 C ATOM 633 CD1 TRP A 40 -7.966 7.210 5.403 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.120 6.078 3.476 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.813 6.146 5.605 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.924 5.438 4.439 1.00 0.00 C ATOM 637 CE3 TRP A 40 -8.060 5.546 2.186 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.661 4.292 4.149 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.792 4.408 1.900 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.584 3.792 2.878 1.00 0.00 C ATOM 0 H TRP A 40 -5.499 9.469 5.352 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.943 6.933 4.082 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.888 9.205 3.759 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.648 8.119 2.404 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.696 7.939 6.153 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.283 5.921 6.482 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.453 6.015 1.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.272 3.815 4.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.752 3.987 0.906 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.145 2.905 2.623 1.00 0.00 H new ATOM 651 N ARG A 41 -3.433 7.529 2.230 1.00 0.00 N ATOM 652 CA ARG A 41 -2.500 7.848 1.156 1.00 0.00 C ATOM 653 C ARG A 41 -2.956 7.232 -0.163 1.00 0.00 C ATOM 654 O ARG A 41 -3.724 6.270 -0.177 1.00 0.00 O ATOM 655 CB ARG A 41 -1.097 7.349 1.506 1.00 0.00 C ATOM 656 CG ARG A 41 -0.344 8.265 2.457 1.00 0.00 C ATOM 657 CD ARG A 41 0.277 9.443 1.721 1.00 0.00 C ATOM 658 NE ARG A 41 0.963 10.357 2.630 1.00 0.00 N ATOM 659 CZ ARG A 41 0.331 11.184 3.455 1.00 0.00 C ATOM 660 NH1 ARG A 41 -0.995 11.212 3.485 1.00 0.00 N ATOM 661 NH2 ARG A 41 1.025 11.986 4.253 1.00 0.00 N ATOM 0 H ARG A 41 -3.450 6.544 2.496 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.475 8.932 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.174 6.358 1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.520 7.239 0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.024 8.632 3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.437 7.700 2.966 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.983 9.074 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.501 9.984 1.182 1.00 0.00 H new ATOM 0 HE ARG A 41 1.983 10.361 2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.532 10.597 2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.477 11.848 4.120 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.045 11.968 4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.539 12.621 4.886 1.00 0.00 H new ATOM 675 N ALA A 42 -2.479 7.792 -1.269 1.00 0.00 N ATOM 676 CA ALA A 42 -2.837 7.297 -2.592 1.00 0.00 C ATOM 677 C ALA A 42 -1.685 6.516 -3.216 1.00 0.00 C ATOM 678 O ALA A 42 -0.534 6.651 -2.799 1.00 0.00 O ATOM 679 CB ALA A 42 -3.245 8.452 -3.495 1.00 0.00 C ATOM 0 H ALA A 42 -1.843 8.589 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.684 6.619 -2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.510 8.068 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.104 8.966 -3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.414 9.151 -3.590 1.00 0.00 H new ATOM 685 N ILE A 43 -2.002 5.701 -4.216 1.00 0.00 N ATOM 686 CA ILE A 43 -0.993 4.899 -4.896 1.00 0.00 C ATOM 687 C ILE A 43 -0.550 5.562 -6.196 1.00 0.00 C ATOM 688 O ILE A 43 -1.376 6.035 -6.976 1.00 0.00 O ATOM 689 CB ILE A 43 -1.514 3.483 -5.207 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.809 2.729 -3.909 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.504 2.721 -6.051 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.259 1.301 -4.129 1.00 0.00 C ATOM 0 H ILE A 43 -2.950 5.579 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.141 4.823 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.441 3.569 -5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.914 2.728 -3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.581 3.263 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.886 1.722 -6.263 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.339 3.252 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.438 2.641 -5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.450 0.827 -3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.172 1.295 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.479 0.751 -4.655 1.00 0.00 H new ATOM 704 N GLU A 44 0.760 5.589 -6.423 1.00 0.00 N ATOM 705 CA GLU A 44 1.313 6.193 -7.630 1.00 0.00 C ATOM 706 C GLU A 44 1.918 5.130 -8.542 1.00 0.00 C ATOM 707 O GLU A 44 1.724 5.157 -9.758 1.00 0.00 O ATOM 708 CB GLU A 44 2.375 7.233 -7.266 1.00 0.00 C ATOM 709 CG GLU A 44 1.832 8.401 -6.459 1.00 0.00 C ATOM 710 CD GLU A 44 2.613 9.680 -6.688 1.00 0.00 C ATOM 711 OE1 GLU A 44 3.704 9.823 -6.095 1.00 0.00 O ATOM 712 OE2 GLU A 44 2.135 10.539 -7.458 1.00 0.00 O ATOM 0 H GLU A 44 1.457 5.200 -5.788 1.00 0.00 H new ATOM 0 HA GLU A 44 0.500 6.686 -8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.168 6.747 -6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.827 7.614 -8.182 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.787 8.565 -6.722 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.858 8.149 -5.399 1.00 0.00 H new ATOM 719 N ASP A 45 2.651 4.196 -7.947 1.00 0.00 N ATOM 720 CA ASP A 45 3.284 3.123 -8.705 1.00 0.00 C ATOM 721 C ASP A 45 3.611 1.939 -7.800 1.00 0.00 C ATOM 722 O ASP A 45 4.145 2.110 -6.704 1.00 0.00 O ATOM 723 CB ASP A 45 4.558 3.631 -9.382 1.00 0.00 C ATOM 724 CG ASP A 45 4.291 4.206 -10.759 1.00 0.00 C ATOM 725 OD1 ASP A 45 4.202 3.419 -11.724 1.00 0.00 O ATOM 726 OD2 ASP A 45 4.172 5.444 -10.871 1.00 0.00 O ATOM 0 H ASP A 45 2.822 4.160 -6.942 1.00 0.00 H new ATOM 0 HA ASP A 45 2.584 2.790 -9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.019 4.395 -8.756 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.273 2.812 -9.465 1.00 0.00 H new ATOM 731 N LEU A 46 3.287 0.738 -8.266 1.00 0.00 N ATOM 732 CA LEU A 46 3.546 -0.476 -7.499 1.00 0.00 C ATOM 733 C LEU A 46 3.736 -1.674 -8.424 1.00 0.00 C ATOM 734 O LEU A 46 3.180 -1.719 -9.522 1.00 0.00 O ATOM 735 CB LEU A 46 2.395 -0.744 -6.528 1.00 0.00 C ATOM 736 CG LEU A 46 1.150 -1.398 -7.127 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.401 -2.873 -7.402 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.044 -1.223 -6.199 1.00 0.00 C ATOM 0 H LEU A 46 2.845 0.578 -9.171 1.00 0.00 H new ATOM 0 HA LEU A 46 4.465 -0.329 -6.932 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.765 -1.381 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.101 0.203 -6.074 1.00 0.00 H new ATOM 0 HG LEU A 46 0.925 -0.906 -8.073 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.504 -3.322 -7.828 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.227 -2.977 -8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.652 -3.379 -6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.921 -1.695 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.172 -1.688 -5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.239 -0.161 -6.053 1.00 0.00 H new ATOM 750 N TYR A 47 4.522 -2.645 -7.972 1.00 0.00 N ATOM 751 CA TYR A 47 4.785 -3.844 -8.758 1.00 0.00 C ATOM 752 C TYR A 47 5.311 -4.971 -7.874 1.00 0.00 C ATOM 753 O TYR A 47 6.065 -4.734 -6.930 1.00 0.00 O ATOM 754 CB TYR A 47 5.792 -3.540 -9.869 1.00 0.00 C ATOM 755 CG TYR A 47 6.820 -2.500 -9.486 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.739 -2.743 -8.473 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.874 -1.275 -10.139 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.680 -1.796 -8.120 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.812 -0.321 -9.793 1.00 0.00 C ATOM 760 CZ TYR A 47 8.713 -0.586 -8.783 1.00 0.00 C ATOM 761 OH TYR A 47 9.649 0.360 -8.435 1.00 0.00 O ATOM 0 H TYR A 47 4.988 -2.625 -7.065 1.00 0.00 H new ATOM 0 HA TYR A 47 3.845 -4.167 -9.206 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.305 -4.461 -10.145 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.253 -3.198 -10.753 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.717 -3.689 -7.952 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.171 -1.065 -10.931 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.386 -2.001 -7.329 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.839 0.627 -10.310 1.00 0.00 H new ATOM 0 HH TYR A 47 9.320 0.880 -7.672 1.00 0.00 H new ATOM 771 N ARG A 48 4.908 -6.198 -8.188 1.00 0.00 N ATOM 772 CA ARG A 48 5.338 -7.362 -7.423 1.00 0.00 C ATOM 773 C ARG A 48 6.755 -7.774 -7.810 1.00 0.00 C ATOM 774 O ARG A 48 6.984 -8.302 -8.898 1.00 0.00 O ATOM 775 CB ARG A 48 4.376 -8.530 -7.649 1.00 0.00 C ATOM 776 CG ARG A 48 4.386 -9.060 -9.073 1.00 0.00 C ATOM 777 CD ARG A 48 3.123 -9.849 -9.383 1.00 0.00 C ATOM 778 NE ARG A 48 3.069 -11.107 -8.643 1.00 0.00 N ATOM 779 CZ ARG A 48 2.121 -12.022 -8.818 1.00 0.00 C ATOM 780 NH1 ARG A 48 1.154 -11.819 -9.702 1.00 0.00 N ATOM 781 NH2 ARG A 48 2.140 -13.142 -8.107 1.00 0.00 N ATOM 0 H ARG A 48 4.285 -6.412 -8.967 1.00 0.00 H new ATOM 0 HA ARG A 48 5.332 -7.094 -6.366 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.635 -9.340 -6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.365 -8.211 -7.396 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.477 -8.228 -9.771 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.259 -9.696 -9.219 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.249 -9.246 -9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.077 -10.055 -10.452 1.00 0.00 H new ATOM 0 HE ARG A 48 3.798 -11.293 -7.955 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.136 -10.959 -10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.428 -12.523 -9.834 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.882 -13.301 -7.426 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.412 -13.844 -8.242 1.00 0.00 H new ATOM 795 N VAL A 49 7.703 -7.529 -6.911 1.00 0.00 N ATOM 796 CA VAL A 49 9.098 -7.875 -7.157 1.00 0.00 C ATOM 797 C VAL A 49 9.418 -9.272 -6.638 1.00 0.00 C ATOM 798 O VAL A 49 9.549 -9.484 -5.434 1.00 0.00 O ATOM 799 CB VAL A 49 10.052 -6.863 -6.495 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.490 -7.353 -6.576 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.910 -5.494 -7.143 1.00 0.00 C ATOM 0 H VAL A 49 7.530 -7.092 -6.006 1.00 0.00 H new ATOM 0 HA VAL A 49 9.244 -7.849 -8.237 1.00 0.00 H new ATOM 0 HB VAL A 49 9.783 -6.771 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.150 -6.625 -6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.578 -8.310 -6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.774 -7.475 -7.621 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.591 -4.792 -6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.152 -5.567 -8.203 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.885 -5.141 -7.028 1.00 0.00 H new ATOM 811 N GLY A 50 9.542 -10.225 -7.558 1.00 0.00 N ATOM 812 CA GLY A 50 9.846 -11.591 -7.174 1.00 0.00 C ATOM 813 C GLY A 50 8.762 -12.205 -6.311 1.00 0.00 C ATOM 814 O GLY A 50 7.715 -12.611 -6.815 1.00 0.00 O ATOM 0 H GLY A 50 9.437 -10.075 -8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.979 -12.196 -8.071 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.792 -11.611 -6.633 1.00 0.00 H new ATOM 818 N GLU A 51 9.014 -12.276 -5.008 1.00 0.00 N ATOM 819 CA GLU A 51 8.051 -12.848 -4.074 1.00 0.00 C ATOM 820 C GLU A 51 7.547 -11.791 -3.096 1.00 0.00 C ATOM 821 O GLU A 51 7.146 -12.108 -1.977 1.00 0.00 O ATOM 822 CB GLU A 51 8.682 -14.010 -3.305 1.00 0.00 C ATOM 823 CG GLU A 51 8.717 -15.312 -4.089 1.00 0.00 C ATOM 824 CD GLU A 51 9.214 -16.480 -3.259 1.00 0.00 C ATOM 825 OE1 GLU A 51 10.446 -16.645 -3.145 1.00 0.00 O ATOM 826 OE2 GLU A 51 8.369 -17.228 -2.723 1.00 0.00 O ATOM 0 H GLU A 51 9.876 -11.945 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 51 7.203 -13.220 -4.649 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.699 -13.738 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.126 -14.167 -2.381 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.717 -15.535 -4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.361 -15.190 -4.960 1.00 0.00 H new ATOM 833 N GLU A 52 7.572 -10.534 -3.528 1.00 0.00 N ATOM 834 CA GLU A 52 7.118 -9.430 -2.690 1.00 0.00 C ATOM 835 C GLU A 52 6.504 -8.320 -3.538 1.00 0.00 C ATOM 836 O GLU A 52 6.489 -8.398 -4.768 1.00 0.00 O ATOM 837 CB GLU A 52 8.282 -8.874 -1.868 1.00 0.00 C ATOM 838 CG GLU A 52 8.939 -9.906 -0.966 1.00 0.00 C ATOM 839 CD GLU A 52 9.802 -9.276 0.109 1.00 0.00 C ATOM 840 OE1 GLU A 52 9.501 -8.137 0.521 1.00 0.00 O ATOM 841 OE2 GLU A 52 10.780 -9.924 0.539 1.00 0.00 O ATOM 0 H GLU A 52 7.901 -10.255 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 52 6.353 -9.811 -2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.032 -8.466 -2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.921 -8.047 -1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.168 -10.516 -0.496 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.550 -10.576 -1.571 1.00 0.00 H new ATOM 848 N LEU A 53 5.999 -7.287 -2.874 1.00 0.00 N ATOM 849 CA LEU A 53 5.383 -6.159 -3.565 1.00 0.00 C ATOM 850 C LEU A 53 5.891 -4.834 -3.006 1.00 0.00 C ATOM 851 O LEU A 53 6.092 -4.693 -1.800 1.00 0.00 O ATOM 852 CB LEU A 53 3.860 -6.229 -3.439 1.00 0.00 C ATOM 853 CG LEU A 53 3.124 -6.939 -4.575 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.868 -7.620 -4.055 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.779 -5.955 -5.684 1.00 0.00 C ATOM 0 H LEU A 53 6.004 -7.207 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 53 5.657 -6.216 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.616 -6.733 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.475 -5.212 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 53 3.783 -7.704 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.358 -8.120 -4.878 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.140 -8.355 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.205 -6.874 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.255 -6.478 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.139 -5.168 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.695 -5.514 -6.077 1.00 0.00 H new ATOM 867 N VAL A 54 6.093 -3.863 -3.891 1.00 0.00 N ATOM 868 CA VAL A 54 6.574 -2.548 -3.487 1.00 0.00 C ATOM 869 C VAL A 54 5.647 -1.446 -3.987 1.00 0.00 C ATOM 870 O VAL A 54 5.621 -1.135 -5.178 1.00 0.00 O ATOM 871 CB VAL A 54 7.998 -2.284 -4.013 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.504 -0.933 -3.531 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.939 -3.399 -3.583 1.00 0.00 C ATOM 0 H VAL A 54 5.931 -3.963 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 54 6.590 -2.539 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 54 7.967 -2.265 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.511 -0.764 -3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.842 -0.146 -3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.522 -0.919 -2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.940 -3.197 -3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.968 -3.452 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.584 -4.349 -3.983 1.00 0.00 H new ATOM 883 N VAL A 55 4.887 -0.857 -3.069 1.00 0.00 N ATOM 884 CA VAL A 55 3.959 0.212 -3.416 1.00 0.00 C ATOM 885 C VAL A 55 4.575 1.582 -3.152 1.00 0.00 C ATOM 886 O VAL A 55 5.182 1.810 -2.106 1.00 0.00 O ATOM 887 CB VAL A 55 2.643 0.092 -2.625 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.818 1.362 -2.765 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.852 -1.122 -3.088 1.00 0.00 C ATOM 0 H VAL A 55 4.896 -1.103 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 55 3.745 0.112 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 55 2.884 -0.041 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.892 1.259 -2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.386 2.209 -2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.584 1.530 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.925 -1.191 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.620 -1.022 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.444 -2.024 -2.930 1.00 0.00 H new ATOM 899 N HIS A 56 4.414 2.491 -4.108 1.00 0.00 N ATOM 900 CA HIS A 56 4.954 3.840 -3.979 1.00 0.00 C ATOM 901 C HIS A 56 3.841 4.846 -3.700 1.00 0.00 C ATOM 902 O HIS A 56 3.158 5.303 -4.618 1.00 0.00 O ATOM 903 CB HIS A 56 5.707 4.235 -5.250 1.00 0.00 C ATOM 904 CG HIS A 56 6.934 3.412 -5.498 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.209 3.858 -5.219 1.00 0.00 N ATOM 906 CD2 HIS A 56 7.076 2.164 -6.002 1.00 0.00 C ATOM 907 CE1 HIS A 56 9.081 2.920 -5.542 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.419 1.881 -6.019 1.00 0.00 N ATOM 0 H HIS A 56 3.914 2.318 -4.980 1.00 0.00 H new ATOM 0 HA HIS A 56 5.647 3.848 -3.138 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.037 4.140 -6.104 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.991 5.285 -5.183 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.442 4.769 -4.825 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.280 1.512 -6.330 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.153 2.990 -5.434 1.00 0.00 H new ATOM 916 N LEU A 57 3.663 5.186 -2.429 1.00 0.00 N ATOM 917 CA LEU A 57 2.632 6.138 -2.029 1.00 0.00 C ATOM 918 C LEU A 57 2.983 7.548 -2.492 1.00 0.00 C ATOM 919 O LEU A 57 4.157 7.892 -2.630 1.00 0.00 O ATOM 920 CB LEU A 57 2.453 6.117 -0.510 1.00 0.00 C ATOM 921 CG LEU A 57 2.246 4.741 0.123 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.253 4.844 1.640 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.945 4.120 -0.364 1.00 0.00 C ATOM 0 H LEU A 57 4.219 4.817 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 57 1.696 5.843 -2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.331 6.576 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.598 6.744 -0.256 1.00 0.00 H new ATOM 0 HG LEU A 57 3.070 4.096 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.104 3.855 2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.210 5.245 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.450 5.506 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.814 3.141 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.109 4.764 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.978 4.009 -1.448 1.00 0.00 H new ATOM 935 N ALA A 58 1.958 8.360 -2.728 1.00 0.00 N ATOM 936 CA ALA A 58 2.159 9.734 -3.171 1.00 0.00 C ATOM 937 C ALA A 58 2.877 10.556 -2.105 1.00 0.00 C ATOM 938 O ALA A 58 2.635 10.387 -0.911 1.00 0.00 O ATOM 939 CB ALA A 58 0.825 10.375 -3.524 1.00 0.00 C ATOM 0 H ALA A 58 0.980 8.090 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 58 2.788 9.714 -4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.990 11.401 -3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.350 9.809 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.178 10.375 -2.647 1.00 0.00 H new ATOM 945 N GLY A 59 3.762 11.445 -2.546 1.00 0.00 N ATOM 946 CA GLY A 59 4.502 12.278 -1.617 1.00 0.00 C ATOM 947 C GLY A 59 5.804 11.640 -1.176 1.00 0.00 C ATOM 948 O GLY A 59 6.853 12.283 -1.183 1.00 0.00 O ATOM 0 H GLY A 59 3.979 11.603 -3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.713 13.240 -2.085 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.884 12.478 -0.742 1.00 0.00 H new ATOM 952 N VAL A 60 5.737 10.370 -0.788 1.00 0.00 N ATOM 953 CA VAL A 60 6.919 9.644 -0.341 1.00 0.00 C ATOM 954 C VAL A 60 7.900 9.431 -1.488 1.00 0.00 C ATOM 955 O VAL A 60 7.751 8.503 -2.284 1.00 0.00 O ATOM 956 CB VAL A 60 6.544 8.276 0.260 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.789 7.542 0.736 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.550 8.449 1.398 1.00 0.00 C ATOM 0 H VAL A 60 4.876 9.823 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 60 7.392 10.254 0.429 1.00 0.00 H new ATOM 0 HB VAL A 60 6.072 7.675 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.504 6.578 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.463 7.385 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.293 8.136 1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.296 7.473 1.811 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.994 9.068 2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.647 8.930 1.022 1.00 0.00 H new ATOM 968 N THR A 61 8.906 10.296 -1.569 1.00 0.00 N ATOM 969 CA THR A 61 9.912 10.204 -2.619 1.00 0.00 C ATOM 970 C THR A 61 11.310 10.054 -2.030 1.00 0.00 C ATOM 971 O THR A 61 12.300 10.010 -2.761 1.00 0.00 O ATOM 972 CB THR A 61 9.883 11.442 -3.535 1.00 0.00 C ATOM 973 OG1 THR A 61 10.080 12.630 -2.760 1.00 0.00 O ATOM 974 CG2 THR A 61 8.561 11.532 -4.282 1.00 0.00 C ATOM 0 H THR A 61 9.046 11.069 -0.919 1.00 0.00 H new ATOM 0 HA THR A 61 9.673 9.319 -3.209 1.00 0.00 H new ATOM 0 HB THR A 61 10.688 11.346 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.062 13.412 -3.350 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.564 12.414 -4.922 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.427 10.640 -4.894 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.743 11.607 -3.566 1.00 0.00 H new ATOM 982 N ASP A 62 11.383 9.976 -0.706 1.00 0.00 N ATOM 983 CA ASP A 62 12.661 9.830 -0.019 1.00 0.00 C ATOM 984 C ASP A 62 12.590 8.725 1.031 1.00 0.00 C ATOM 985 O ASP A 62 11.543 8.501 1.640 1.00 0.00 O ATOM 986 CB ASP A 62 13.065 11.150 0.639 1.00 0.00 C ATOM 987 CG ASP A 62 11.893 11.855 1.292 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.558 11.508 2.444 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.310 12.754 0.651 1.00 0.00 O ATOM 0 H ASP A 62 10.573 10.011 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 62 13.414 9.557 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.833 10.959 1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.507 11.806 -0.111 1.00 0.00 H new ATOM 994 N ARG A 63 13.709 8.038 1.237 1.00 0.00 N ATOM 995 CA ARG A 63 13.772 6.956 2.212 1.00 0.00 C ATOM 996 C ARG A 63 13.136 7.376 3.533 1.00 0.00 C ATOM 997 O ARG A 63 12.352 6.631 4.123 1.00 0.00 O ATOM 998 CB ARG A 63 15.224 6.535 2.444 1.00 0.00 C ATOM 999 CG ARG A 63 15.367 5.144 3.041 1.00 0.00 C ATOM 1000 CD ARG A 63 16.817 4.824 3.367 1.00 0.00 C ATOM 1001 NE ARG A 63 16.933 3.868 4.465 1.00 0.00 N ATOM 1002 CZ ARG A 63 18.033 3.716 5.195 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.105 4.455 4.945 1.00 0.00 N ATOM 1004 NH2 ARG A 63 18.061 2.825 6.177 1.00 0.00 N ATOM 0 H ARG A 63 14.584 8.211 0.742 1.00 0.00 H new ATOM 0 HA ARG A 63 13.214 6.109 1.814 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.760 6.571 1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.701 7.257 3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.765 5.072 3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.979 4.405 2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.307 4.420 2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.341 5.743 3.630 1.00 0.00 H new ATOM 0 HE ARG A 63 16.125 3.285 4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.086 5.142 4.191 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.948 4.337 5.507 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.238 2.256 6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.906 2.709 6.737 1.00 0.00 H new ATOM 1018 N THR A 64 13.479 8.575 3.995 1.00 0.00 N ATOM 1019 CA THR A 64 12.943 9.094 5.247 1.00 0.00 C ATOM 1020 C THR A 64 11.423 8.991 5.279 1.00 0.00 C ATOM 1021 O THR A 64 10.860 8.199 6.036 1.00 0.00 O ATOM 1022 CB THR A 64 13.351 10.563 5.467 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.764 10.711 5.284 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.963 11.029 6.862 1.00 0.00 C ATOM 0 H THR A 64 14.126 9.205 3.520 1.00 0.00 H new ATOM 0 HA THR A 64 13.363 8.484 6.047 1.00 0.00 H new ATOM 0 HB THR A 64 12.824 11.177 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.016 11.648 5.424 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.261 12.069 6.994 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.884 10.942 6.988 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.466 10.410 7.605 1.00 0.00 H new ATOM 1032 N LEU A 65 10.762 9.795 4.453 1.00 0.00 N ATOM 1033 CA LEU A 65 9.305 9.794 4.386 1.00 0.00 C ATOM 1034 C LEU A 65 8.760 8.369 4.420 1.00 0.00 C ATOM 1035 O LEU A 65 7.758 8.093 5.079 1.00 0.00 O ATOM 1036 CB LEU A 65 8.832 10.503 3.117 1.00 0.00 C ATOM 1037 CG LEU A 65 8.859 12.032 3.152 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.647 12.602 1.759 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.803 12.561 4.113 1.00 0.00 C ATOM 0 H LEU A 65 11.212 10.456 3.820 1.00 0.00 H new ATOM 0 HA LEU A 65 8.925 10.330 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.451 10.168 2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.812 10.182 2.904 1.00 0.00 H new ATOM 0 HG LEU A 65 9.839 12.351 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.669 13.691 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.438 12.250 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.681 12.275 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.836 13.650 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.817 12.232 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.000 12.180 5.115 1.00 0.00 H new ATOM 1051 N ALA A 66 9.427 7.469 3.706 1.00 0.00 N ATOM 1052 CA ALA A 66 9.012 6.073 3.657 1.00 0.00 C ATOM 1053 C ALA A 66 9.124 5.418 5.030 1.00 0.00 C ATOM 1054 O ALA A 66 8.166 4.828 5.526 1.00 0.00 O ATOM 1055 CB ALA A 66 9.844 5.310 2.637 1.00 0.00 C ATOM 0 H ALA A 66 10.257 7.682 3.153 1.00 0.00 H new ATOM 0 HA ALA A 66 7.966 6.042 3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.523 4.269 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.710 5.756 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.896 5.358 2.917 1.00 0.00 H new ATOM 1061 N GLU A 67 10.302 5.527 5.637 1.00 0.00 N ATOM 1062 CA GLU A 67 10.539 4.944 6.953 1.00 0.00 C ATOM 1063 C GLU A 67 9.450 5.361 7.937 1.00 0.00 C ATOM 1064 O GLU A 67 9.072 4.595 8.823 1.00 0.00 O ATOM 1065 CB GLU A 67 11.910 5.366 7.483 1.00 0.00 C ATOM 1066 CG GLU A 67 13.035 4.428 7.079 1.00 0.00 C ATOM 1067 CD GLU A 67 14.275 4.602 7.934 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.690 5.760 8.147 1.00 0.00 O ATOM 1069 OE2 GLU A 67 14.831 3.580 8.388 1.00 0.00 O ATOM 0 H GLU A 67 11.106 6.013 5.239 1.00 0.00 H new ATOM 0 HA GLU A 67 10.516 3.859 6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.137 6.369 7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.868 5.422 8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.688 3.397 7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.291 4.603 6.034 1.00 0.00 H new ATOM 1076 N ALA A 68 8.950 6.582 7.775 1.00 0.00 N ATOM 1077 CA ALA A 68 7.904 7.101 8.647 1.00 0.00 C ATOM 1078 C ALA A 68 6.606 6.321 8.472 1.00 0.00 C ATOM 1079 O ALA A 68 5.779 6.258 9.384 1.00 0.00 O ATOM 1080 CB ALA A 68 7.675 8.580 8.373 1.00 0.00 C ATOM 0 H ALA A 68 9.253 7.230 7.048 1.00 0.00 H new ATOM 0 HA ALA A 68 8.233 6.980 9.679 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.891 8.955 9.031 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.597 9.131 8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.372 8.715 7.335 1.00 0.00 H new ATOM 1086 N LEU A 69 6.431 5.728 7.296 1.00 0.00 N ATOM 1087 CA LEU A 69 5.232 4.952 7.001 1.00 0.00 C ATOM 1088 C LEU A 69 5.547 3.461 6.952 1.00 0.00 C ATOM 1089 O LEU A 69 4.792 2.674 6.379 1.00 0.00 O ATOM 1090 CB LEU A 69 4.624 5.401 5.671 1.00 0.00 C ATOM 1091 CG LEU A 69 4.085 6.831 5.628 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.701 7.214 4.207 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.893 6.980 6.563 1.00 0.00 C ATOM 0 H LEU A 69 7.105 5.770 6.531 1.00 0.00 H new ATOM 0 HA LEU A 69 4.511 5.126 7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.382 5.296 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.811 4.720 5.418 1.00 0.00 H new ATOM 0 HG LEU A 69 4.872 7.506 5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.319 8.235 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.578 7.147 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.930 6.535 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.522 8.004 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.103 6.295 6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.199 6.748 7.583 1.00 0.00 H new ATOM 1105 N VAL A 70 6.666 3.077 7.558 1.00 0.00 N ATOM 1106 CA VAL A 70 7.079 1.679 7.586 1.00 0.00 C ATOM 1107 C VAL A 70 6.639 1.002 8.879 1.00 0.00 C ATOM 1108 O VAL A 70 6.834 1.535 9.970 1.00 0.00 O ATOM 1109 CB VAL A 70 8.607 1.543 7.443 1.00 0.00 C ATOM 1110 CG1 VAL A 70 9.067 0.169 7.908 1.00 0.00 C ATOM 1111 CG2 VAL A 70 9.032 1.798 6.005 1.00 0.00 C ATOM 0 H VAL A 70 7.303 3.715 8.036 1.00 0.00 H new ATOM 0 HA VAL A 70 6.597 1.189 6.740 1.00 0.00 H new ATOM 0 HB VAL A 70 9.082 2.292 8.076 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.149 0.092 7.800 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.796 0.030 8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.586 -0.600 7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.114 1.698 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.549 1.074 5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.737 2.806 5.712 1.00 0.00 H new ATOM 1121 N GLY A 71 6.043 -0.180 8.748 1.00 0.00 N ATOM 1122 CA GLY A 71 5.583 -0.912 9.914 1.00 0.00 C ATOM 1123 C GLY A 71 4.073 -0.914 10.039 1.00 0.00 C ATOM 1124 O GLY A 71 3.478 -1.908 10.459 1.00 0.00 O ATOM 0 H GLY A 71 5.871 -0.643 7.856 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.941 -1.940 9.858 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.018 -0.471 10.811 1.00 0.00 H new ATOM 1128 N LEU A 72 3.449 0.201 9.676 1.00 0.00 N ATOM 1129 CA LEU A 72 1.998 0.326 9.751 1.00 0.00 C ATOM 1130 C LEU A 72 1.319 -0.587 8.735 1.00 0.00 C ATOM 1131 O LEU A 72 1.959 -1.085 7.808 1.00 0.00 O ATOM 1132 CB LEU A 72 1.577 1.777 9.511 1.00 0.00 C ATOM 1133 CG LEU A 72 2.066 2.797 10.539 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.751 4.212 10.080 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.440 2.524 11.899 1.00 0.00 C ATOM 0 H LEU A 72 3.926 1.032 9.326 1.00 0.00 H new ATOM 0 HA LEU A 72 1.684 0.024 10.750 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.937 2.081 8.528 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.488 1.818 9.478 1.00 0.00 H new ATOM 0 HG LEU A 72 3.148 2.700 10.632 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.107 4.924 10.825 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.246 4.405 9.128 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.674 4.323 9.957 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.799 3.259 12.619 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.355 2.593 11.821 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.717 1.524 12.233 1.00 0.00 H new ATOM 1147 N ARG A 73 0.020 -0.802 8.914 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.745 -1.654 8.013 1.00 0.00 C ATOM 1149 C ARG A 73 -1.600 -0.816 7.066 1.00 0.00 C ATOM 1150 O ARG A 73 -2.025 0.287 7.410 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.636 -2.608 8.811 1.00 0.00 C ATOM 1152 CG ARG A 73 -0.858 -3.608 9.651 1.00 0.00 C ATOM 1153 CD ARG A 73 0.059 -2.909 10.642 1.00 0.00 C ATOM 1154 NE ARG A 73 0.382 -3.760 11.784 1.00 0.00 N ATOM 1155 CZ ARG A 73 -0.501 -4.113 12.711 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -1.755 -3.689 12.631 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -0.132 -4.890 13.720 1.00 0.00 N ATOM 0 H ARG A 73 -0.525 -0.397 9.676 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.040 -2.236 7.420 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.285 -2.025 9.464 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.282 -3.151 8.121 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.554 -4.252 10.189 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.268 -4.251 8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.979 -2.614 10.138 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.418 -1.995 10.995 1.00 0.00 H new ATOM 0 HE ARG A 73 1.339 -4.102 11.875 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.043 -3.091 11.857 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.432 -3.961 13.344 1.00 0.00 H new ATOM 0 HH21 ARG A 73 0.832 -5.218 13.785 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.812 -5.160 14.431 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.847 -1.347 5.873 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.650 -0.648 4.877 1.00 0.00 C ATOM 1173 C VAL A 74 -4.069 -1.205 4.827 1.00 0.00 C ATOM 1174 O VAL A 74 -4.274 -2.417 4.890 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.021 -0.751 3.475 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.797 0.095 2.478 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.559 -0.333 3.517 1.00 0.00 C ATOM 0 H VAL A 74 -1.503 -2.259 5.573 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.683 0.400 5.176 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.070 -1.790 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.338 0.010 1.493 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.828 -0.255 2.429 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.782 1.137 2.796 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.129 -0.412 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.485 0.698 3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.014 -0.985 4.199 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.045 -0.311 4.713 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.446 -0.713 4.656 1.00 0.00 C ATOM 1189 C TYR A 75 -7.086 -0.273 3.343 1.00 0.00 C ATOM 1190 O TYR A 75 -6.782 0.798 2.820 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.217 -0.119 5.836 1.00 0.00 C ATOM 1192 CG TYR A 75 -6.885 -0.764 7.163 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.685 -0.492 7.809 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -7.772 -1.644 7.771 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.377 -1.080 9.020 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.473 -2.235 8.983 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.275 -1.950 9.604 1.00 0.00 C ATOM 1198 OH TYR A 75 -5.972 -2.537 10.811 1.00 0.00 O ATOM 0 H TYR A 75 -4.892 0.696 4.658 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.488 -1.801 4.713 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.005 0.948 5.897 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.286 -0.221 5.649 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.981 0.191 7.356 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.711 -1.870 7.288 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.439 -0.860 9.507 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.174 -2.917 9.442 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.710 -3.121 11.085 1.00 0.00 H new ATOM 1208 N ALA A 76 -7.974 -1.109 2.816 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.660 -0.807 1.566 1.00 0.00 C ATOM 1210 C ALA A 76 -10.146 -0.556 1.801 1.00 0.00 C ATOM 1211 O ALA A 76 -10.671 -0.849 2.875 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.465 -1.941 0.570 1.00 0.00 C ATOM 0 H ALA A 76 -8.235 -2.001 3.236 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.226 0.104 1.153 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.983 -1.702 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.401 -2.071 0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.871 -2.864 0.985 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.817 -0.012 0.791 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.242 0.279 0.890 1.00 0.00 C ATOM 1220 C GLU A 77 -13.033 -0.513 -0.148 1.00 0.00 C ATOM 1221 O GLU A 77 -12.914 -0.274 -1.350 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.493 1.777 0.705 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.710 2.287 1.459 1.00 0.00 C ATOM 1224 CD GLU A 77 -14.102 3.694 1.049 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -13.991 4.015 -0.152 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -14.521 4.473 1.931 1.00 0.00 O ATOM 0 H GLU A 77 -10.397 0.236 -0.105 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.579 -0.019 1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.613 2.328 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.619 1.987 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.550 1.614 1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.504 2.268 2.529 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.839 -1.458 0.326 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.650 -2.285 -0.560 1.00 0.00 C ATOM 1235 C VAL A 78 -15.432 -1.428 -1.549 1.00 0.00 C ATOM 1236 O VAL A 78 -15.857 -1.906 -2.600 1.00 0.00 O ATOM 1237 CB VAL A 78 -15.636 -3.160 0.236 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.385 -4.102 -0.694 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -14.903 -3.937 1.319 1.00 0.00 C ATOM 0 H VAL A 78 -13.948 -1.670 1.318 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.963 -2.930 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.365 -2.509 0.718 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.077 -4.712 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -16.942 -3.521 -1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.673 -4.749 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -15.615 -4.550 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.151 -4.579 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.418 -3.240 2.002 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.619 -0.158 -1.204 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.348 0.767 -2.063 1.00 0.00 C ATOM 1251 C ALA A 79 -15.711 0.851 -3.446 1.00 0.00 C ATOM 1252 O ALA A 79 -16.407 0.962 -4.455 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.408 2.146 -1.423 1.00 0.00 C ATOM 0 H ALA A 79 -15.276 0.253 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.363 0.389 -2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.955 2.826 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.916 2.079 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.396 2.522 -1.274 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.384 0.798 -3.485 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.653 0.868 -4.744 1.00 0.00 C ATOM 1261 C ASP A 80 -13.553 -0.509 -5.392 1.00 0.00 C ATOM 1262 O ASP A 80 -13.679 -0.645 -6.610 1.00 0.00 O ATOM 1263 CB ASP A 80 -12.253 1.440 -4.515 1.00 0.00 C ATOM 1264 CG ASP A 80 -12.271 2.937 -4.277 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -13.172 3.413 -3.556 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -11.383 3.633 -4.812 1.00 0.00 O ATOM 0 H ASP A 80 -13.793 0.707 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.201 1.528 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.797 0.944 -3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.628 1.220 -5.380 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.324 -1.528 -4.571 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.207 -2.896 -5.063 1.00 0.00 C ATOM 1273 C LEU A 81 -14.447 -3.299 -5.854 1.00 0.00 C ATOM 1274 O LEU A 81 -15.543 -2.780 -5.644 1.00 0.00 O ATOM 1275 CB LEU A 81 -12.996 -3.863 -3.896 1.00 0.00 C ATOM 1276 CG LEU A 81 -11.609 -3.847 -3.254 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -11.482 -4.964 -2.230 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.527 -3.970 -4.317 1.00 0.00 C ATOM 0 H LEU A 81 -13.216 -1.433 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.344 -2.944 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.734 -3.638 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.200 -4.875 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.479 -2.894 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.488 -4.937 -1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.233 -4.831 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.633 -5.926 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.546 -3.957 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.655 -4.907 -4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.604 -3.135 -5.013 1.00 0.00 H new