USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 440 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 Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 6:sc= 0.293 USER MOD Single : A 22 THR OG1 : rot -76:sc= 1.2 USER MOD Single : A 27 SER OG : rot 0:sc= 0.684! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.0169 (180deg=-0.203) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 0:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 49 HIS : no HD1:sc= -4.14! K(o=-4.1!,f=-2.2) USER MOD Single : A 50 ASN : amide:sc= -1.18! C(o=-1.2!,f=-1.2!) USER MOD Single : A 58 HIS : no HD1:sc= -0.181 K(o=-0.18,f=-5.8!) USER MOD Single : A 59 GLN : amide:sc= -0.0491 X(o=-0.049,f=-0.45) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.420 11.403 1.402 1.00 0.00 N ATOM 82 CA PRO A 9 -0.447 9.955 1.173 1.00 0.00 C ATOM 83 C PRO A 9 -0.924 9.599 -0.231 1.00 0.00 C ATOM 84 O PRO A 9 -1.655 10.363 -0.861 1.00 0.00 O ATOM 85 CB PRO A 9 -1.442 9.449 2.220 1.00 0.00 C ATOM 86 CG PRO A 9 -2.327 10.615 2.496 1.00 0.00 C ATOM 87 CD PRO A 9 -1.462 11.836 2.348 1.00 0.00 C ATOM 0 HA PRO A 9 0.545 9.510 1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.012 8.599 1.846 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.931 9.117 3.124 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.164 10.643 1.799 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.750 10.555 3.499 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.027 12.685 1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.035 12.144 3.302 1.00 0.00 H new ATOM 95 N ILE A 10 -0.505 8.434 -0.715 1.00 0.00 N ATOM 96 CA ILE A 10 -0.891 7.977 -2.044 1.00 0.00 C ATOM 97 C ILE A 10 -1.892 6.829 -1.962 1.00 0.00 C ATOM 98 O ILE A 10 -1.607 5.787 -1.373 1.00 0.00 O ATOM 99 CB ILE A 10 0.332 7.519 -2.860 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.391 8.623 -2.895 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.086 7.134 -4.271 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.748 8.145 -3.363 1.00 0.00 C ATOM 0 H ILE A 10 0.101 7.790 -0.207 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.355 8.826 -2.546 1.00 0.00 H new ATOM 0 HB ILE A 10 0.764 6.642 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.050 9.422 -3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.490 9.052 -1.898 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.790 6.813 -4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.808 6.319 -4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.539 7.994 -4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.448 8.980 -3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.111 7.367 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.664 7.743 -4.373 1.00 0.00 H new ATOM 114 N GLU A 11 -3.063 7.028 -2.557 1.00 0.00 N ATOM 115 CA GLU A 11 -4.105 6.008 -2.552 1.00 0.00 C ATOM 116 C GLU A 11 -3.806 4.919 -3.577 1.00 0.00 C ATOM 117 O GLU A 11 -3.709 5.188 -4.774 1.00 0.00 O ATOM 118 CB GLU A 11 -5.469 6.639 -2.844 1.00 0.00 C ATOM 119 CG GLU A 11 -6.209 7.092 -1.597 1.00 0.00 C ATOM 120 CD GLU A 11 -7.345 8.047 -1.909 1.00 0.00 C ATOM 121 OE1 GLU A 11 -8.439 7.568 -2.276 1.00 0.00 O ATOM 122 OE2 GLU A 11 -7.141 9.273 -1.786 1.00 0.00 O ATOM 0 H GLU A 11 -3.314 7.886 -3.049 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.128 5.553 -1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.330 7.495 -3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.086 5.918 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.605 6.220 -1.077 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.507 7.577 -0.918 1.00 0.00 H new ATOM 129 N ALA A 12 -3.661 3.688 -3.099 1.00 0.00 N ATOM 130 CA ALA A 12 -3.374 2.557 -3.973 1.00 0.00 C ATOM 131 C ALA A 12 -4.464 1.495 -3.873 1.00 0.00 C ATOM 132 O ALA A 12 -5.273 1.509 -2.944 1.00 0.00 O ATOM 133 CB ALA A 12 -2.018 1.957 -3.633 1.00 0.00 C ATOM 0 H ALA A 12 -3.738 3.448 -2.111 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.351 2.921 -5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.817 1.114 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.243 2.712 -3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.021 1.615 -2.598 1.00 0.00 H new ATOM 139 N ILE A 13 -4.480 0.578 -4.834 1.00 0.00 N ATOM 140 CA ILE A 13 -5.471 -0.491 -4.852 1.00 0.00 C ATOM 141 C ILE A 13 -4.804 -1.861 -4.783 1.00 0.00 C ATOM 142 O ILE A 13 -3.783 -2.098 -5.428 1.00 0.00 O ATOM 143 CB ILE A 13 -6.349 -0.423 -6.116 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.082 0.918 -6.182 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.340 -1.577 -6.135 1.00 0.00 C ATOM 146 CD1 ILE A 13 -7.829 1.262 -4.913 1.00 0.00 C ATOM 0 H ILE A 13 -3.818 0.554 -5.610 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.101 -0.352 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.707 -0.508 -6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.361 1.707 -6.394 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.786 0.897 -7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.953 -1.515 -7.034 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.798 -2.522 -6.130 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.980 -1.521 -5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.324 2.226 -5.032 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.575 0.493 -4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.127 1.315 -4.081 1.00 0.00 H new ATOM 158 N ALA A 14 -5.390 -2.759 -3.999 1.00 0.00 N ATOM 159 CA ALA A 14 -4.855 -4.107 -3.849 1.00 0.00 C ATOM 160 C ALA A 14 -4.988 -4.898 -5.145 1.00 0.00 C ATOM 161 O ALA A 14 -6.090 -5.075 -5.666 1.00 0.00 O ATOM 162 CB ALA A 14 -5.559 -4.831 -2.711 1.00 0.00 C ATOM 0 H ALA A 14 -6.235 -2.578 -3.458 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.794 -4.026 -3.612 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.149 -5.836 -2.611 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.407 -4.283 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.626 -4.894 -2.925 1.00 0.00 H new ATOM 168 N LYS A 15 -3.860 -5.373 -5.662 1.00 0.00 N ATOM 169 CA LYS A 15 -3.851 -6.147 -6.898 1.00 0.00 C ATOM 170 C LYS A 15 -4.392 -7.553 -6.664 1.00 0.00 C ATOM 171 O LYS A 15 -5.122 -8.095 -7.494 1.00 0.00 O ATOM 172 CB LYS A 15 -2.431 -6.223 -7.465 1.00 0.00 C ATOM 173 CG LYS A 15 -2.106 -5.107 -8.442 1.00 0.00 C ATOM 174 CD LYS A 15 -1.098 -5.556 -9.487 1.00 0.00 C ATOM 175 CE LYS A 15 -1.739 -6.463 -10.526 1.00 0.00 C ATOM 176 NZ LYS A 15 -2.503 -5.688 -11.543 1.00 0.00 N ATOM 0 H LYS A 15 -2.940 -5.236 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.497 -5.644 -7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.718 -6.193 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.299 -7.182 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.020 -4.777 -8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.710 -4.250 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.669 -4.683 -9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.277 -6.082 -9.000 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.966 -7.050 -11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.406 -7.168 -10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.925 -6.342 -12.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.257 -5.147 -11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.862 -5.033 -12.034 1.00 0.00 H new ATOM 190 N PHE A 16 -4.030 -8.140 -5.527 1.00 0.00 N ATOM 191 CA PHE A 16 -4.481 -9.484 -5.184 1.00 0.00 C ATOM 192 C PHE A 16 -4.564 -9.659 -3.670 1.00 0.00 C ATOM 193 O PHE A 16 -3.773 -9.082 -2.923 1.00 0.00 O ATOM 194 CB PHE A 16 -3.534 -10.529 -5.778 1.00 0.00 C ATOM 195 CG PHE A 16 -2.952 -10.126 -7.103 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.665 -10.320 -8.275 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.693 -9.554 -7.176 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.132 -9.951 -9.495 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.154 -9.183 -8.394 1.00 0.00 C ATOM 200 CZ PHE A 16 -1.875 -9.381 -9.555 1.00 0.00 C ATOM 0 H PHE A 16 -3.426 -7.706 -4.829 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.477 -9.625 -5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.722 -10.714 -5.075 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.072 -11.469 -5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.648 -10.765 -8.234 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.125 -9.396 -6.271 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.698 -10.108 -10.401 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.170 -8.739 -8.437 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.457 -9.091 -10.508 1.00 0.00 H new ATOM 210 N ASP A 17 -5.528 -10.457 -3.225 1.00 0.00 N ATOM 211 CA ASP A 17 -5.716 -10.710 -1.801 1.00 0.00 C ATOM 212 C ASP A 17 -4.405 -11.135 -1.147 1.00 0.00 C ATOM 213 O ASP A 17 -3.947 -12.264 -1.329 1.00 0.00 O ATOM 214 CB ASP A 17 -6.780 -11.788 -1.589 1.00 0.00 C ATOM 215 CG ASP A 17 -7.912 -11.690 -2.592 1.00 0.00 C ATOM 216 OD1 ASP A 17 -7.668 -11.950 -3.790 1.00 0.00 O ATOM 217 OD2 ASP A 17 -9.042 -11.354 -2.181 1.00 0.00 O ATOM 0 H ASP A 17 -6.192 -10.940 -3.830 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.051 -9.784 -1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.316 -12.772 -1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.184 -11.702 -0.580 1.00 0.00 H new ATOM 222 N TYR A 18 -3.806 -10.225 -0.388 1.00 0.00 N ATOM 223 CA TYR A 18 -2.546 -10.505 0.291 1.00 0.00 C ATOM 224 C TYR A 18 -2.748 -10.592 1.800 1.00 0.00 C ATOM 225 O TYR A 18 -3.654 -9.970 2.355 1.00 0.00 O ATOM 226 CB TYR A 18 -1.516 -9.422 -0.036 1.00 0.00 C ATOM 227 CG TYR A 18 -0.112 -9.768 0.408 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.299 -9.546 1.716 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.802 -10.319 -0.482 1.00 0.00 C ATOM 230 CE1 TYR A 18 1.581 -9.861 2.125 1.00 0.00 C ATOM 231 CE2 TYR A 18 2.085 -10.638 -0.082 1.00 0.00 C ATOM 232 CZ TYR A 18 2.470 -10.406 1.222 1.00 0.00 C ATOM 233 OH TYR A 18 3.747 -10.722 1.626 1.00 0.00 O ATOM 0 H TYR A 18 -4.172 -9.287 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.177 -11.467 -0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.515 -9.246 -1.112 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.819 -8.489 0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.395 -9.120 2.425 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.504 -10.501 -1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.885 -9.681 3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.783 -11.067 -0.786 1.00 0.00 H new ATOM 0 HH TYR A 18 3.828 -10.582 2.593 1.00 0.00 H new ATOM 243 N VAL A 19 -1.895 -11.369 2.460 1.00 0.00 N ATOM 244 CA VAL A 19 -1.977 -11.538 3.906 1.00 0.00 C ATOM 245 C VAL A 19 -0.624 -11.291 4.566 1.00 0.00 C ATOM 246 O VAL A 19 0.349 -11.993 4.293 1.00 0.00 O ATOM 247 CB VAL A 19 -2.467 -12.950 4.279 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.586 -14.009 3.634 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.499 -13.120 5.791 1.00 0.00 C ATOM 0 H VAL A 19 -1.139 -11.891 2.016 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.695 -10.804 4.270 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.481 -13.076 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.948 -15.000 3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.619 -13.899 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.559 -13.888 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.847 -14.123 6.037 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.497 -12.975 6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.176 -12.384 6.226 1.00 0.00 H new ATOM 259 N GLY A 20 -0.571 -10.287 5.436 1.00 0.00 N ATOM 260 CA GLY A 20 0.666 -9.965 6.122 1.00 0.00 C ATOM 261 C GLY A 20 1.285 -11.171 6.800 1.00 0.00 C ATOM 262 O GLY A 20 0.867 -11.560 7.891 1.00 0.00 O ATOM 0 H GLY A 20 -1.363 -9.691 5.678 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.376 -9.550 5.407 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.474 -9.192 6.867 1.00 0.00 H new ATOM 266 N ARG A 21 2.281 -11.766 6.153 1.00 0.00 N ATOM 267 CA ARG A 21 2.956 -12.937 6.699 1.00 0.00 C ATOM 268 C ARG A 21 3.430 -12.676 8.126 1.00 0.00 C ATOM 269 O ARG A 21 3.301 -13.531 9.002 1.00 0.00 O ATOM 270 CB ARG A 21 4.145 -13.324 5.818 1.00 0.00 C ATOM 271 CG ARG A 21 3.743 -13.864 4.455 1.00 0.00 C ATOM 272 CD ARG A 21 4.764 -14.859 3.927 1.00 0.00 C ATOM 273 NE ARG A 21 4.580 -16.189 4.503 1.00 0.00 N ATOM 274 CZ ARG A 21 5.484 -17.159 4.416 1.00 0.00 C ATOM 275 NH1 ARG A 21 6.629 -16.948 3.781 1.00 0.00 N ATOM 276 NH2 ARG A 21 5.244 -18.342 4.966 1.00 0.00 N ATOM 0 H ARG A 21 2.639 -11.456 5.249 1.00 0.00 H new ATOM 0 HA ARG A 21 2.242 -13.761 6.717 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.783 -12.451 5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.741 -14.076 6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.768 -14.345 4.526 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.640 -13.038 3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.684 -14.920 2.842 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.769 -14.502 4.153 1.00 0.00 H new ATOM 0 HE ARG A 21 3.710 -16.384 4.999 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.818 -16.039 3.358 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.321 -17.694 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.365 -18.508 5.456 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.938 -19.086 4.899 1.00 0.00 H new ATOM 290 N THR A 22 3.980 -11.487 8.353 1.00 0.00 N ATOM 291 CA THR A 22 4.475 -11.112 9.671 1.00 0.00 C ATOM 292 C THR A 22 3.745 -9.885 10.204 1.00 0.00 C ATOM 293 O THR A 22 2.939 -9.276 9.501 1.00 0.00 O ATOM 294 CB THR A 22 5.988 -10.824 9.643 1.00 0.00 C ATOM 295 OG1 THR A 22 6.260 -9.720 8.772 1.00 0.00 O ATOM 296 CG2 THR A 22 6.763 -12.047 9.176 1.00 0.00 C ATOM 0 H THR A 22 4.094 -10.767 7.640 1.00 0.00 H new ATOM 0 HA THR A 22 4.287 -11.959 10.331 1.00 0.00 H new ATOM 0 HB THR A 22 6.307 -10.576 10.655 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.201 -10.017 7.840 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.829 -11.820 9.164 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.577 -12.878 9.857 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.439 -12.321 8.172 1.00 0.00 H new ATOM 304 N ALA A 23 4.034 -9.526 11.451 1.00 0.00 N ATOM 305 CA ALA A 23 3.406 -8.369 12.077 1.00 0.00 C ATOM 306 C ALA A 23 3.624 -7.109 11.246 1.00 0.00 C ATOM 307 O ALA A 23 2.705 -6.312 11.057 1.00 0.00 O ATOM 308 CB ALA A 23 3.947 -8.173 13.486 1.00 0.00 C ATOM 0 H ALA A 23 4.699 -10.020 12.047 1.00 0.00 H new ATOM 0 HA ALA A 23 2.333 -8.555 12.133 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.469 -7.306 13.942 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.735 -9.060 14.084 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.024 -8.013 13.443 1.00 0.00 H new ATOM 314 N ARG A 24 4.845 -6.936 10.751 1.00 0.00 N ATOM 315 CA ARG A 24 5.183 -5.772 9.941 1.00 0.00 C ATOM 316 C ARG A 24 4.261 -5.666 8.730 1.00 0.00 C ATOM 317 O ARG A 24 3.666 -4.618 8.482 1.00 0.00 O ATOM 318 CB ARG A 24 6.640 -5.850 9.481 1.00 0.00 C ATOM 319 CG ARG A 24 7.624 -5.240 10.466 1.00 0.00 C ATOM 320 CD ARG A 24 8.117 -6.269 11.471 1.00 0.00 C ATOM 321 NE ARG A 24 8.539 -5.651 12.725 1.00 0.00 N ATOM 322 CZ ARG A 24 7.705 -5.354 13.715 1.00 0.00 C ATOM 323 NH1 ARG A 24 6.411 -5.618 13.598 1.00 0.00 N ATOM 324 NH2 ARG A 24 8.165 -4.793 14.826 1.00 0.00 N ATOM 0 H ARG A 24 5.617 -7.587 10.897 1.00 0.00 H new ATOM 0 HA ARG A 24 5.050 -4.882 10.556 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.905 -6.894 9.316 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.737 -5.341 8.522 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.473 -4.824 9.923 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.147 -4.414 10.994 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.324 -6.989 11.671 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.951 -6.824 11.042 1.00 0.00 H new ATOM 0 HE ARG A 24 9.528 -5.436 12.847 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.054 -6.050 12.746 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.773 -5.389 14.360 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.160 -4.589 14.920 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.524 -4.565 15.586 1.00 0.00 H new ATOM 338 N GLU A 25 4.150 -6.758 7.980 1.00 0.00 N ATOM 339 CA GLU A 25 3.301 -6.786 6.794 1.00 0.00 C ATOM 340 C GLU A 25 1.835 -6.597 7.170 1.00 0.00 C ATOM 341 O GLU A 25 1.459 -6.727 8.336 1.00 0.00 O ATOM 342 CB GLU A 25 3.480 -8.107 6.044 1.00 0.00 C ATOM 343 CG GLU A 25 4.891 -8.326 5.524 1.00 0.00 C ATOM 344 CD GLU A 25 5.235 -9.795 5.372 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.579 -10.477 4.556 1.00 0.00 O ATOM 346 OE2 GLU A 25 6.160 -10.264 6.068 1.00 0.00 O ATOM 0 H GLU A 25 4.636 -7.634 8.172 1.00 0.00 H new ATOM 0 HA GLU A 25 3.600 -5.964 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.214 -8.930 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.784 -8.136 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.000 -7.829 4.560 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.602 -7.859 6.205 1.00 0.00 H new ATOM 353 N LEU A 26 1.010 -6.287 6.175 1.00 0.00 N ATOM 354 CA LEU A 26 -0.416 -6.078 6.400 1.00 0.00 C ATOM 355 C LEU A 26 -1.247 -7.038 5.555 1.00 0.00 C ATOM 356 O LEU A 26 -0.861 -7.393 4.441 1.00 0.00 O ATOM 357 CB LEU A 26 -0.797 -4.633 6.075 1.00 0.00 C ATOM 358 CG LEU A 26 -0.032 -3.549 6.835 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.282 -2.184 6.214 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.425 -3.550 8.305 1.00 0.00 C ATOM 0 H LEU A 26 1.304 -6.175 5.205 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.626 -6.275 7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.651 -4.471 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.861 -4.506 6.274 1.00 0.00 H new ATOM 0 HG LEU A 26 1.034 -3.766 6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.271 -1.425 6.768 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.051 -2.190 5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.347 -1.957 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.129 -2.772 8.830 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.494 -3.358 8.396 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.192 -4.520 8.743 1.00 0.00 H new ATOM 372 N SER A 27 -2.390 -7.453 6.090 1.00 0.00 N ATOM 373 CA SER A 27 -3.275 -8.373 5.386 1.00 0.00 C ATOM 374 C SER A 27 -4.468 -7.631 4.791 1.00 0.00 C ATOM 375 O SER A 27 -5.244 -7.001 5.511 1.00 0.00 O ATOM 376 CB SER A 27 -3.763 -9.470 6.333 1.00 0.00 C ATOM 377 OG SER A 27 -4.818 -9.002 7.156 1.00 0.00 O ATOM 0 H SER A 27 -2.725 -7.166 7.010 1.00 0.00 H new ATOM 0 HA SER A 27 -2.711 -8.830 4.573 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.103 -10.329 5.755 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.936 -9.812 6.956 1.00 0.00 H new ATOM 0 HG SER A 27 -5.012 -8.066 6.939 1.00 0.00 H new ATOM 383 N PHE A 28 -4.609 -7.710 3.472 1.00 0.00 N ATOM 384 CA PHE A 28 -5.707 -7.045 2.779 1.00 0.00 C ATOM 385 C PHE A 28 -6.286 -7.944 1.691 1.00 0.00 C ATOM 386 O PHE A 28 -5.747 -9.011 1.398 1.00 0.00 O ATOM 387 CB PHE A 28 -5.228 -5.727 2.167 1.00 0.00 C ATOM 388 CG PHE A 28 -3.955 -5.860 1.380 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.966 -6.401 0.105 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.747 -5.442 1.916 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.796 -6.524 -0.621 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.575 -5.562 1.194 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.599 -6.105 -0.075 1.00 0.00 C ATOM 0 H PHE A 28 -3.977 -8.228 2.861 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.490 -6.835 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.009 -5.333 1.516 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.079 -4.998 2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.899 -6.731 -0.327 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.722 -5.018 2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.818 -6.947 -1.614 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.640 -5.231 1.622 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.683 -6.202 -0.640 1.00 0.00 H new ATOM 403 N LYS A 29 -7.389 -7.505 1.095 1.00 0.00 N ATOM 404 CA LYS A 29 -8.044 -8.267 0.038 1.00 0.00 C ATOM 405 C LYS A 29 -8.043 -7.490 -1.274 1.00 0.00 C ATOM 406 O LYS A 29 -8.080 -6.259 -1.279 1.00 0.00 O ATOM 407 CB LYS A 29 -9.481 -8.607 0.441 1.00 0.00 C ATOM 408 CG LYS A 29 -9.574 -9.654 1.537 1.00 0.00 C ATOM 409 CD LYS A 29 -9.479 -9.027 2.917 1.00 0.00 C ATOM 410 CE LYS A 29 -10.848 -8.619 3.440 1.00 0.00 C ATOM 411 NZ LYS A 29 -10.752 -7.885 4.732 1.00 0.00 N ATOM 0 H LYS A 29 -7.849 -6.624 1.326 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.486 -9.192 -0.108 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.980 -7.698 0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.021 -8.963 -0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.516 -10.194 1.446 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.774 -10.384 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.020 -9.734 3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.829 -8.153 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.346 -7.991 2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.466 -9.507 3.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.706 -7.625 5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.299 -8.493 5.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.184 -7.024 4.601 1.00 0.00 H new ATOM 425 N LYS A 30 -8.001 -8.216 -2.386 1.00 0.00 N ATOM 426 CA LYS A 30 -7.998 -7.595 -3.706 1.00 0.00 C ATOM 427 C LYS A 30 -9.115 -6.563 -3.825 1.00 0.00 C ATOM 428 O LYS A 30 -10.270 -6.846 -3.509 1.00 0.00 O ATOM 429 CB LYS A 30 -8.155 -8.660 -4.793 1.00 0.00 C ATOM 430 CG LYS A 30 -8.047 -8.109 -6.205 1.00 0.00 C ATOM 431 CD LYS A 30 -8.074 -9.220 -7.241 1.00 0.00 C ATOM 432 CE LYS A 30 -8.414 -8.685 -8.623 1.00 0.00 C ATOM 433 NZ LYS A 30 -9.838 -8.260 -8.719 1.00 0.00 N ATOM 0 H LYS A 30 -7.969 -9.235 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.043 -7.087 -3.839 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.393 -9.426 -4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.123 -9.147 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.869 -7.417 -6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.123 -7.540 -6.305 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.104 -9.715 -7.270 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.807 -9.972 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.766 -7.839 -8.854 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.213 -9.454 -9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -10.119 -8.210 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.440 -8.949 -8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.951 -7.324 -8.280 1.00 0.00 H new ATOM 447 N GLY A 31 -8.763 -5.366 -4.284 1.00 0.00 N ATOM 448 CA GLY A 31 -9.747 -4.312 -4.437 1.00 0.00 C ATOM 449 C GLY A 31 -9.772 -3.365 -3.254 1.00 0.00 C ATOM 450 O GLY A 31 -9.995 -2.165 -3.414 1.00 0.00 O ATOM 0 H GLY A 31 -7.813 -5.108 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.533 -3.748 -5.345 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.734 -4.757 -4.563 1.00 0.00 H new ATOM 454 N ALA A 32 -9.545 -3.905 -2.061 1.00 0.00 N ATOM 455 CA ALA A 32 -9.542 -3.100 -0.846 1.00 0.00 C ATOM 456 C ALA A 32 -8.655 -1.870 -1.004 1.00 0.00 C ATOM 457 O ALA A 32 -7.556 -1.952 -1.551 1.00 0.00 O ATOM 458 CB ALA A 32 -9.082 -3.936 0.339 1.00 0.00 C ATOM 0 H ALA A 32 -9.361 -4.897 -1.910 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.561 -2.759 -0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.084 -3.322 1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.758 -4.780 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.073 -4.305 0.154 1.00 0.00 H new ATOM 464 N SER A 33 -9.141 -0.730 -0.523 1.00 0.00 N ATOM 465 CA SER A 33 -8.394 0.519 -0.616 1.00 0.00 C ATOM 466 C SER A 33 -7.232 0.531 0.373 1.00 0.00 C ATOM 467 O SER A 33 -7.395 0.191 1.545 1.00 0.00 O ATOM 468 CB SER A 33 -9.316 1.710 -0.351 1.00 0.00 C ATOM 469 OG SER A 33 -8.771 2.905 -0.883 1.00 0.00 O ATOM 0 H SER A 33 -10.049 -0.646 -0.065 1.00 0.00 H new ATOM 0 HA SER A 33 -7.991 0.599 -1.626 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.294 1.523 -0.795 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.470 1.823 0.722 1.00 0.00 H new ATOM 0 HG SER A 33 -9.380 3.651 -0.702 1.00 0.00 H new ATOM 475 N LEU A 34 -6.058 0.925 -0.109 1.00 0.00 N ATOM 476 CA LEU A 34 -4.867 0.983 0.731 1.00 0.00 C ATOM 477 C LEU A 34 -4.192 2.347 0.626 1.00 0.00 C ATOM 478 O LEU A 34 -3.992 2.870 -0.471 1.00 0.00 O ATOM 479 CB LEU A 34 -3.883 -0.118 0.331 1.00 0.00 C ATOM 480 CG LEU A 34 -4.439 -1.542 0.316 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.679 -2.402 -0.681 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.375 -2.154 1.708 1.00 0.00 C ATOM 0 H LEU A 34 -5.906 1.209 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.174 0.829 1.765 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.497 0.111 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.036 -0.087 1.016 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.483 -1.500 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.089 -3.412 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.776 -1.974 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.626 -2.437 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.775 -3.168 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.339 -2.182 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.965 -1.551 2.398 1.00 0.00 H new ATOM 494 N LEU A 35 -3.841 2.917 1.773 1.00 0.00 N ATOM 495 CA LEU A 35 -3.186 4.220 1.811 1.00 0.00 C ATOM 496 C LEU A 35 -1.673 4.065 1.938 1.00 0.00 C ATOM 497 O LEU A 35 -1.186 3.178 2.640 1.00 0.00 O ATOM 498 CB LEU A 35 -3.724 5.050 2.977 1.00 0.00 C ATOM 499 CG LEU A 35 -3.764 6.564 2.761 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.916 6.942 1.843 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.882 7.289 4.094 1.00 0.00 C ATOM 0 H LEU A 35 -3.999 2.498 2.689 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.403 4.736 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.734 4.709 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.113 4.844 3.856 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.832 6.869 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.929 8.023 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.789 6.451 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.858 6.624 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.909 8.365 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.798 6.979 4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.024 7.043 4.719 1.00 0.00 H new ATOM 513 N LEU A 36 -0.936 4.935 1.257 1.00 0.00 N ATOM 514 CA LEU A 36 0.522 4.897 1.295 1.00 0.00 C ATOM 515 C LEU A 36 1.086 6.197 1.859 1.00 0.00 C ATOM 516 O LEU A 36 0.605 7.285 1.540 1.00 0.00 O ATOM 517 CB LEU A 36 1.082 4.651 -0.107 1.00 0.00 C ATOM 518 CG LEU A 36 0.554 3.413 -0.833 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.247 3.246 -2.176 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.743 2.171 0.025 1.00 0.00 C ATOM 0 H LEU A 36 -1.324 5.675 0.672 1.00 0.00 H new ATOM 0 HA LEU A 36 0.823 4.078 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.868 5.526 -0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.167 4.570 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.513 3.547 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.859 2.360 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.060 4.124 -2.794 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.320 3.134 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.362 1.300 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.803 2.032 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.199 2.290 0.962 1.00 0.00 H new ATOM 532 N TYR A 37 2.109 6.077 2.698 1.00 0.00 N ATOM 533 CA TYR A 37 2.739 7.243 3.307 1.00 0.00 C ATOM 534 C TYR A 37 4.144 7.456 2.751 1.00 0.00 C ATOM 535 O TYR A 37 4.511 8.569 2.376 1.00 0.00 O ATOM 536 CB TYR A 37 2.800 7.080 4.827 1.00 0.00 C ATOM 537 CG TYR A 37 1.444 6.891 5.470 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.377 7.718 5.143 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.231 5.885 6.405 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.863 7.550 5.729 1.00 0.00 C ATOM 541 CE2 TYR A 37 -0.005 5.709 6.994 1.00 0.00 C ATOM 542 CZ TYR A 37 -1.049 6.543 6.653 1.00 0.00 C ATOM 543 OH TYR A 37 -2.282 6.371 7.239 1.00 0.00 O ATOM 0 H TYR A 37 2.520 5.184 2.972 1.00 0.00 H new ATOM 0 HA TYR A 37 2.135 8.118 3.065 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.429 6.223 5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.279 7.959 5.259 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.519 8.506 4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.046 5.230 6.675 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.682 8.203 5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.154 4.922 7.718 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.906 7.042 6.891 1.00 0.00 H new ATOM 553 N GLN A 38 4.922 6.380 2.700 1.00 0.00 N ATOM 554 CA GLN A 38 6.287 6.449 2.189 1.00 0.00 C ATOM 555 C GLN A 38 6.741 5.090 1.667 1.00 0.00 C ATOM 556 O GLN A 38 6.462 4.056 2.273 1.00 0.00 O ATOM 557 CB GLN A 38 7.239 6.932 3.284 1.00 0.00 C ATOM 558 CG GLN A 38 7.139 6.134 4.574 1.00 0.00 C ATOM 559 CD GLN A 38 7.871 6.793 5.726 1.00 0.00 C ATOM 560 OE1 GLN A 38 9.070 7.061 5.643 1.00 0.00 O ATOM 561 NE2 GLN A 38 7.152 7.059 6.810 1.00 0.00 N ATOM 0 H GLN A 38 4.632 5.451 3.006 1.00 0.00 H new ATOM 0 HA GLN A 38 6.304 7.160 1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.263 6.880 2.913 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.031 7.980 3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.089 6.010 4.839 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.547 5.136 4.412 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.161 6.820 6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.591 7.503 7.617 1.00 0.00 H new ATOM 570 N ARG A 39 7.443 5.100 0.538 1.00 0.00 N ATOM 571 CA ARG A 39 7.935 3.869 -0.067 1.00 0.00 C ATOM 572 C ARG A 39 9.082 3.282 0.750 1.00 0.00 C ATOM 573 O ARG A 39 10.236 3.681 0.595 1.00 0.00 O ATOM 574 CB ARG A 39 8.398 4.129 -1.502 1.00 0.00 C ATOM 575 CG ARG A 39 9.009 2.912 -2.175 1.00 0.00 C ATOM 576 CD ARG A 39 7.958 2.095 -2.911 1.00 0.00 C ATOM 577 NE ARG A 39 8.551 1.218 -3.917 1.00 0.00 N ATOM 578 CZ ARG A 39 8.871 1.617 -5.143 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.656 2.873 -5.512 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.407 0.760 -6.002 1.00 0.00 N ATOM 0 H ARG A 39 7.683 5.948 0.024 1.00 0.00 H new ATOM 0 HA ARG A 39 7.116 3.150 -0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.548 4.472 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.130 4.937 -1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.780 3.232 -2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.498 2.288 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.397 1.496 -2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.247 2.767 -3.390 1.00 0.00 H new ATOM 0 HE ARG A 39 8.729 0.246 -3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.244 3.535 -4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.903 3.177 -6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.574 -0.206 -5.721 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.652 1.067 -6.943 1.00 0.00 H new ATOM 594 N ALA A 40 8.757 2.333 1.621 1.00 0.00 N ATOM 595 CA ALA A 40 9.760 1.690 2.462 1.00 0.00 C ATOM 596 C ALA A 40 10.913 1.150 1.624 1.00 0.00 C ATOM 597 O ALA A 40 12.081 1.318 1.976 1.00 0.00 O ATOM 598 CB ALA A 40 9.127 0.572 3.277 1.00 0.00 C ATOM 0 H ALA A 40 7.806 1.992 1.763 1.00 0.00 H new ATOM 0 HA ALA A 40 10.161 2.439 3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.887 0.101 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.342 0.984 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.698 -0.171 2.604 1.00 0.00 H new ATOM 604 N SER A 41 10.579 0.499 0.514 1.00 0.00 N ATOM 605 CA SER A 41 11.587 -0.070 -0.372 1.00 0.00 C ATOM 606 C SER A 41 11.023 -0.280 -1.774 1.00 0.00 C ATOM 607 O SER A 41 9.831 -0.086 -2.010 1.00 0.00 O ATOM 608 CB SER A 41 12.098 -1.399 0.189 1.00 0.00 C ATOM 609 OG SER A 41 13.308 -1.786 -0.438 1.00 0.00 O ATOM 0 H SER A 41 9.617 0.353 0.207 1.00 0.00 H new ATOM 0 HA SER A 41 12.418 0.633 -0.435 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.255 -1.307 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.345 -2.173 0.042 1.00 0.00 H new ATOM 0 HG SER A 41 13.614 -2.637 -0.061 1.00 0.00 H new ATOM 615 N ASP A 42 11.889 -0.677 -2.700 1.00 0.00 N ATOM 616 CA ASP A 42 11.478 -0.915 -4.079 1.00 0.00 C ATOM 617 C ASP A 42 10.392 -1.984 -4.146 1.00 0.00 C ATOM 618 O ASP A 42 9.535 -1.958 -5.029 1.00 0.00 O ATOM 619 CB ASP A 42 12.680 -1.338 -4.925 1.00 0.00 C ATOM 620 CG ASP A 42 13.807 -0.325 -4.878 1.00 0.00 C ATOM 621 OD1 ASP A 42 14.381 -0.127 -3.786 1.00 0.00 O ATOM 622 OD2 ASP A 42 14.115 0.269 -5.932 1.00 0.00 O ATOM 0 H ASP A 42 12.880 -0.841 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 42 11.072 0.015 -4.477 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.047 -2.302 -4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.362 -1.476 -5.959 1.00 0.00 H new ATOM 627 N ASP A 43 10.434 -2.922 -3.207 1.00 0.00 N ATOM 628 CA ASP A 43 9.453 -4.001 -3.159 1.00 0.00 C ATOM 629 C ASP A 43 8.666 -3.962 -1.852 1.00 0.00 C ATOM 630 O ASP A 43 8.219 -4.995 -1.355 1.00 0.00 O ATOM 631 CB ASP A 43 10.146 -5.356 -3.311 1.00 0.00 C ATOM 632 CG ASP A 43 9.258 -6.388 -3.978 1.00 0.00 C ATOM 633 OD1 ASP A 43 8.558 -6.031 -4.949 1.00 0.00 O ATOM 634 OD2 ASP A 43 9.263 -7.553 -3.529 1.00 0.00 O ATOM 0 H ASP A 43 11.137 -2.958 -2.468 1.00 0.00 H new ATOM 0 HA ASP A 43 8.757 -3.863 -3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.057 -5.231 -3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.446 -5.720 -2.328 1.00 0.00 H new ATOM 639 N TRP A 44 8.503 -2.764 -1.302 1.00 0.00 N ATOM 640 CA TRP A 44 7.771 -2.591 -0.053 1.00 0.00 C ATOM 641 C TRP A 44 7.248 -1.165 0.079 1.00 0.00 C ATOM 642 O TRP A 44 7.726 -0.254 -0.597 1.00 0.00 O ATOM 643 CB TRP A 44 8.667 -2.931 1.139 1.00 0.00 C ATOM 644 CG TRP A 44 8.983 -4.392 1.247 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.217 -4.972 1.161 1.00 0.00 C ATOM 646 CD2 TRP A 44 8.050 -5.457 1.458 1.00 0.00 C ATOM 647 NE1 TRP A 44 10.107 -6.334 1.307 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.788 -6.657 1.491 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.664 -5.515 1.625 1.00 0.00 C ATOM 650 CZ2 TRP A 44 8.184 -7.897 1.682 1.00 0.00 C ATOM 651 CZ3 TRP A 44 6.066 -6.746 1.815 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.826 -7.923 1.843 1.00 0.00 C ATOM 0 H TRP A 44 8.868 -1.899 -1.701 1.00 0.00 H new ATOM 0 HA TRP A 44 6.919 -3.271 -0.064 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.598 -2.370 1.056 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.178 -2.603 2.057 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.143 -4.439 1.002 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.882 -6.997 1.282 1.00 0.00 H new ATOM 0 HE3 TRP A 44 6.070 -4.613 1.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.767 -8.806 1.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 4.995 -6.802 1.944 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.329 -8.870 1.995 1.00 0.00 H new ATOM 663 N TRP A 45 6.266 -0.978 0.953 1.00 0.00 N ATOM 664 CA TRP A 45 5.679 0.339 1.172 1.00 0.00 C ATOM 665 C TRP A 45 5.365 0.556 2.648 1.00 0.00 C ATOM 666 O TRP A 45 5.382 -0.386 3.440 1.00 0.00 O ATOM 667 CB TRP A 45 4.406 0.499 0.339 1.00 0.00 C ATOM 668 CG TRP A 45 4.671 0.916 -1.076 1.00 0.00 C ATOM 669 CD1 TRP A 45 4.988 0.101 -2.125 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.645 2.250 -1.596 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.160 0.848 -3.266 1.00 0.00 N ATOM 672 CE2 TRP A 45 4.954 2.169 -2.967 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.388 3.504 -1.036 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.014 3.295 -3.784 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.448 4.621 -1.848 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.758 4.511 -3.210 1.00 0.00 C ATOM 0 H TRP A 45 5.859 -1.721 1.521 1.00 0.00 H new ATOM 0 HA TRP A 45 6.406 1.089 0.859 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.861 -0.445 0.336 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.760 1.238 0.813 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.089 -0.973 -2.067 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.402 0.479 -4.186 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.147 3.599 0.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.254 3.212 -4.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.253 5.595 -1.425 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.796 5.403 -3.818 1.00 0.00 H new ATOM 687 N GLU A 46 5.079 1.803 3.012 1.00 0.00 N ATOM 688 CA GLU A 46 4.762 2.141 4.394 1.00 0.00 C ATOM 689 C GLU A 46 3.469 2.948 4.474 1.00 0.00 C ATOM 690 O GLU A 46 3.470 4.163 4.280 1.00 0.00 O ATOM 691 CB GLU A 46 5.909 2.932 5.025 1.00 0.00 C ATOM 692 CG GLU A 46 7.228 2.178 5.047 1.00 0.00 C ATOM 693 CD GLU A 46 8.117 2.591 6.205 1.00 0.00 C ATOM 694 OE1 GLU A 46 8.498 3.779 6.265 1.00 0.00 O ATOM 695 OE2 GLU A 46 8.431 1.727 7.050 1.00 0.00 O ATOM 0 H GLU A 46 5.061 2.595 2.369 1.00 0.00 H new ATOM 0 HA GLU A 46 4.625 1.211 4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.042 3.864 4.476 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.636 3.200 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.030 1.108 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.756 2.350 4.109 1.00 0.00 H new ATOM 702 N GLY A 47 2.367 2.262 4.760 1.00 0.00 N ATOM 703 CA GLY A 47 1.082 2.930 4.860 1.00 0.00 C ATOM 704 C GLY A 47 0.247 2.411 6.013 1.00 0.00 C ATOM 705 O GLY A 47 0.783 2.022 7.051 1.00 0.00 O ATOM 0 H GLY A 47 2.341 1.256 4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.242 4.001 4.984 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.533 2.796 3.928 1.00 0.00 H new ATOM 709 N ARG A 48 -1.070 2.407 5.833 1.00 0.00 N ATOM 710 CA ARG A 48 -1.981 1.934 6.869 1.00 0.00 C ATOM 711 C ARG A 48 -3.126 1.129 6.260 1.00 0.00 C ATOM 712 O ARG A 48 -3.580 1.416 5.152 1.00 0.00 O ATOM 713 CB ARG A 48 -2.541 3.116 7.663 1.00 0.00 C ATOM 714 CG ARG A 48 -3.583 2.717 8.695 1.00 0.00 C ATOM 715 CD ARG A 48 -4.593 3.830 8.925 1.00 0.00 C ATOM 716 NE ARG A 48 -5.736 3.727 8.022 1.00 0.00 N ATOM 717 CZ ARG A 48 -6.509 4.756 7.693 1.00 0.00 C ATOM 718 NH1 ARG A 48 -6.262 5.960 8.191 1.00 0.00 N ATOM 719 NH2 ARG A 48 -7.531 4.583 6.865 1.00 0.00 N ATOM 0 H ARG A 48 -1.530 2.726 4.980 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.421 1.285 7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.720 3.626 8.167 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.984 3.831 6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.101 1.817 8.362 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.090 2.471 9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.942 3.795 9.957 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.107 4.795 8.785 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.953 2.814 7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.477 6.097 8.828 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.857 6.749 7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.724 3.659 6.480 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -8.123 5.374 6.614 1.00 0.00 H new ATOM 733 N HIS A 49 -3.587 0.120 6.992 1.00 0.00 N ATOM 734 CA HIS A 49 -4.679 -0.727 6.525 1.00 0.00 C ATOM 735 C HIS A 49 -5.668 -1.010 7.652 1.00 0.00 C ATOM 736 O HIS A 49 -5.310 -1.598 8.671 1.00 0.00 O ATOM 737 CB HIS A 49 -4.130 -2.042 5.970 1.00 0.00 C ATOM 738 CG HIS A 49 -5.194 -3.046 5.649 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.530 -4.083 6.494 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.000 -3.168 4.568 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.495 -4.799 5.947 1.00 0.00 C ATOM 742 NE2 HIS A 49 -6.799 -4.265 4.778 1.00 0.00 N ATOM 0 H HIS A 49 -3.222 -0.131 7.911 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.204 -0.196 5.730 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.554 -1.834 5.068 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.441 -2.474 6.696 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.012 -2.523 3.702 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -6.957 -5.673 6.382 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.512 -4.611 4.135 1.00 0.00 H new ATOM 751 N ASN A 50 -6.913 -0.586 7.460 1.00 0.00 N ATOM 752 CA ASN A 50 -7.953 -0.793 8.461 1.00 0.00 C ATOM 753 C ASN A 50 -7.454 -0.411 9.851 1.00 0.00 C ATOM 754 O ASN A 50 -7.739 -1.094 10.834 1.00 0.00 O ATOM 755 CB ASN A 50 -8.413 -2.252 8.455 1.00 0.00 C ATOM 756 CG ASN A 50 -9.404 -2.550 9.563 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.424 -1.874 9.698 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.108 -3.568 10.363 1.00 0.00 N ATOM 0 H ASN A 50 -7.226 -0.097 6.621 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.798 -0.152 8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.869 -2.483 7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.546 -2.904 8.562 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.737 -3.817 11.126 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.251 -4.101 10.214 1.00 0.00 H new ATOM 765 N GLY A 51 -6.707 0.687 9.925 1.00 0.00 N ATOM 766 CA GLY A 51 -6.181 1.141 11.199 1.00 0.00 C ATOM 767 C GLY A 51 -4.985 0.329 11.655 1.00 0.00 C ATOM 768 O GLY A 51 -4.817 0.076 12.848 1.00 0.00 O ATOM 0 H GLY A 51 -6.457 1.270 9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.895 2.190 11.117 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.965 1.083 11.954 1.00 0.00 H new ATOM 772 N ILE A 52 -4.153 -0.082 10.703 1.00 0.00 N ATOM 773 CA ILE A 52 -2.968 -0.871 11.014 1.00 0.00 C ATOM 774 C ILE A 52 -1.768 -0.406 10.196 1.00 0.00 C ATOM 775 O ILE A 52 -1.786 -0.455 8.966 1.00 0.00 O ATOM 776 CB ILE A 52 -3.204 -2.370 10.752 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.441 -2.854 11.511 1.00 0.00 C ATOM 778 CG2 ILE A 52 -1.979 -3.177 11.155 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.884 -4.246 11.120 1.00 0.00 C ATOM 0 H ILE A 52 -4.278 0.119 9.711 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.761 -0.725 12.074 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.376 -2.515 9.685 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.231 -2.835 12.580 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.261 -2.158 11.335 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.161 -4.235 10.964 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.118 -2.846 10.574 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.779 -3.029 12.216 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.766 -4.523 11.698 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.126 -4.266 10.057 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.080 -4.954 11.322 1.00 0.00 H new ATOM 791 N ASP A 53 -0.726 0.043 10.887 1.00 0.00 N ATOM 792 CA ASP A 53 0.485 0.514 10.224 1.00 0.00 C ATOM 793 C ASP A 53 1.480 -0.627 10.034 1.00 0.00 C ATOM 794 O ASP A 53 1.831 -1.322 10.986 1.00 0.00 O ATOM 795 CB ASP A 53 1.130 1.640 11.034 1.00 0.00 C ATOM 796 CG ASP A 53 1.756 1.142 12.322 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.048 0.478 13.107 1.00 0.00 O ATOM 798 OD2 ASP A 53 2.954 1.416 12.544 1.00 0.00 O ATOM 0 H ASP A 53 -0.695 0.091 11.905 1.00 0.00 H new ATOM 0 HA ASP A 53 0.207 0.896 9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.893 2.129 10.428 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.377 2.393 11.267 1.00 0.00 H new ATOM 803 N GLY A 54 1.929 -0.813 8.797 1.00 0.00 N ATOM 804 CA GLY A 54 2.878 -1.872 8.504 1.00 0.00 C ATOM 805 C GLY A 54 3.504 -1.726 7.131 1.00 0.00 C ATOM 806 O GLY A 54 3.718 -0.612 6.653 1.00 0.00 O ATOM 0 H GLY A 54 1.653 -0.250 7.993 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.663 -1.871 9.260 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.374 -2.836 8.569 1.00 0.00 H new ATOM 810 N LEU A 55 3.799 -2.855 6.495 1.00 0.00 N ATOM 811 CA LEU A 55 4.406 -2.849 5.169 1.00 0.00 C ATOM 812 C LEU A 55 3.412 -3.323 4.113 1.00 0.00 C ATOM 813 O LEU A 55 2.510 -4.109 4.405 1.00 0.00 O ATOM 814 CB LEU A 55 5.649 -3.739 5.151 1.00 0.00 C ATOM 815 CG LEU A 55 6.856 -3.222 5.935 1.00 0.00 C ATOM 816 CD1 LEU A 55 7.945 -4.282 5.999 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.391 -1.942 5.309 1.00 0.00 C ATOM 0 H LEU A 55 3.628 -3.785 6.876 1.00 0.00 H new ATOM 0 HA LEU A 55 4.697 -1.825 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.376 -4.718 5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.951 -3.887 4.114 1.00 0.00 H new ATOM 0 HG LEU A 55 6.535 -2.998 6.952 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.796 -3.896 6.561 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.557 -5.173 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.263 -4.538 4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.250 -1.589 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.695 -2.139 4.281 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.612 -1.180 5.317 1.00 0.00 H new ATOM 829 N ILE A 56 3.585 -2.842 2.887 1.00 0.00 N ATOM 830 CA ILE A 56 2.705 -3.219 1.788 1.00 0.00 C ATOM 831 C ILE A 56 3.505 -3.554 0.533 1.00 0.00 C ATOM 832 O ILE A 56 4.333 -2.770 0.068 1.00 0.00 O ATOM 833 CB ILE A 56 1.701 -2.098 1.459 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.819 -1.802 2.674 1.00 0.00 C ATOM 835 CG2 ILE A 56 0.848 -2.486 0.260 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.119 -0.463 2.600 1.00 0.00 C ATOM 0 H ILE A 56 4.326 -2.190 2.630 1.00 0.00 H new ATOM 0 HA ILE A 56 2.156 -4.103 2.113 1.00 0.00 H new ATOM 0 HB ILE A 56 2.256 -1.194 1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.071 -2.589 2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.432 -1.833 3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.144 -1.684 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.490 -2.652 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.298 -3.400 0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.488 -0.320 3.494 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.861 0.332 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.521 -0.435 1.718 1.00 0.00 H new ATOM 848 N PRO A 57 3.252 -4.745 -0.030 1.00 0.00 N ATOM 849 CA PRO A 57 3.937 -5.209 -1.240 1.00 0.00 C ATOM 850 C PRO A 57 3.520 -4.425 -2.479 1.00 0.00 C ATOM 851 O PRO A 57 2.335 -4.168 -2.694 1.00 0.00 O ATOM 852 CB PRO A 57 3.496 -6.670 -1.358 1.00 0.00 C ATOM 853 CG PRO A 57 2.188 -6.730 -0.647 1.00 0.00 C ATOM 854 CD PRO A 57 2.279 -5.729 0.471 1.00 0.00 C ATOM 0 HA PRO A 57 5.017 -5.079 -1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.394 -6.970 -2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.225 -7.341 -0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.366 -6.489 -1.321 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.000 -7.731 -0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.313 -5.269 0.678 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.617 -6.192 1.398 1.00 0.00 H new ATOM 862 N HIS A 58 4.501 -4.046 -3.292 1.00 0.00 N ATOM 863 CA HIS A 58 4.235 -3.292 -4.512 1.00 0.00 C ATOM 864 C HIS A 58 3.745 -4.213 -5.625 1.00 0.00 C ATOM 865 O HIS A 58 3.306 -3.750 -6.677 1.00 0.00 O ATOM 866 CB HIS A 58 5.494 -2.552 -4.964 1.00 0.00 C ATOM 867 CG HIS A 58 5.269 -1.648 -6.137 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.008 -0.300 -6.009 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.270 -1.906 -7.466 1.00 0.00 C ATOM 870 CE1 HIS A 58 4.856 0.232 -7.209 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.010 -0.721 -8.110 1.00 0.00 N ATOM 0 H HIS A 58 5.487 -4.249 -3.128 1.00 0.00 H new ATOM 0 HA HIS A 58 3.453 -2.565 -4.296 1.00 0.00 H new ATOM 0 HB2 HIS A 58 5.878 -1.964 -4.131 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.262 -3.282 -5.220 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.443 -2.865 -7.933 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.642 1.270 -7.417 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.946 -0.597 -9.120 1.00 0.00 H new ATOM 879 N GLN A 59 3.825 -5.518 -5.385 1.00 0.00 N ATOM 880 CA GLN A 59 3.391 -6.503 -6.368 1.00 0.00 C ATOM 881 C GLN A 59 1.894 -6.770 -6.247 1.00 0.00 C ATOM 882 O GLN A 59 1.227 -7.079 -7.235 1.00 0.00 O ATOM 883 CB GLN A 59 4.170 -7.808 -6.192 1.00 0.00 C ATOM 884 CG GLN A 59 5.623 -7.712 -6.626 1.00 0.00 C ATOM 885 CD GLN A 59 5.778 -7.624 -8.131 1.00 0.00 C ATOM 886 OE1 GLN A 59 5.118 -8.346 -8.878 1.00 0.00 O ATOM 887 NE2 GLN A 59 6.655 -6.735 -8.585 1.00 0.00 N ATOM 0 H GLN A 59 4.186 -5.917 -4.519 1.00 0.00 H new ATOM 0 HA GLN A 59 3.590 -6.100 -7.361 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.131 -8.106 -5.144 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.679 -8.594 -6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.078 -6.835 -6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.166 -8.583 -6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.181 -6.157 -7.930 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.802 -6.631 -9.589 1.00 0.00 H new ATOM 896 N TYR A 60 1.373 -6.650 -5.031 1.00 0.00 N ATOM 897 CA TYR A 60 -0.044 -6.881 -4.780 1.00 0.00 C ATOM 898 C TYR A 60 -0.783 -5.562 -4.574 1.00 0.00 C ATOM 899 O TYR A 60 -1.770 -5.499 -3.840 1.00 0.00 O ATOM 900 CB TYR A 60 -0.228 -7.778 -3.555 1.00 0.00 C ATOM 901 CG TYR A 60 0.433 -9.131 -3.691 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.815 -9.246 -3.779 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.325 -10.295 -3.732 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.423 -10.480 -3.904 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.275 -11.534 -3.855 1.00 0.00 C ATOM 906 CZ TYR A 60 1.648 -11.621 -3.942 1.00 0.00 C ATOM 907 OH TYR A 60 2.250 -12.853 -4.065 1.00 0.00 O ATOM 0 H TYR A 60 1.911 -6.394 -4.203 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.464 -7.380 -5.653 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.178 -7.271 -2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.294 -7.920 -3.376 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.424 -8.355 -3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.401 -10.230 -3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.499 -10.551 -3.972 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.329 -12.429 -3.883 1.00 0.00 H new ATOM 0 HH TYR A 60 1.564 -13.553 -4.075 1.00 0.00 H new ATOM 917 N ILE A 61 -0.299 -4.512 -5.228 1.00 0.00 N ATOM 918 CA ILE A 61 -0.913 -3.194 -5.118 1.00 0.00 C ATOM 919 C ILE A 61 -0.534 -2.311 -6.301 1.00 0.00 C ATOM 920 O ILE A 61 0.515 -2.497 -6.918 1.00 0.00 O ATOM 921 CB ILE A 61 -0.503 -2.489 -3.812 1.00 0.00 C ATOM 922 CG1 ILE A 61 1.001 -2.209 -3.809 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.892 -3.334 -2.608 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.371 -0.883 -4.438 1.00 0.00 C ATOM 0 H ILE A 61 0.516 -4.548 -5.840 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.992 -3.348 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.031 -1.538 -3.749 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.364 -2.228 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.512 -3.010 -4.342 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.595 -2.822 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.971 -3.487 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.389 -4.299 -2.663 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.452 -0.752 -4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.039 -0.868 -5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.888 -0.073 -3.891 1.00 0.00 H new ATOM 936 N VAL A 62 -1.393 -1.345 -6.611 1.00 0.00 N ATOM 937 CA VAL A 62 -1.148 -0.429 -7.719 1.00 0.00 C ATOM 938 C VAL A 62 -1.052 1.011 -7.230 1.00 0.00 C ATOM 939 O VAL A 62 -2.063 1.641 -6.917 1.00 0.00 O ATOM 940 CB VAL A 62 -2.256 -0.526 -8.784 1.00 0.00 C ATOM 941 CG1 VAL A 62 -1.933 0.365 -9.973 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.447 -1.969 -9.225 1.00 0.00 C ATOM 0 H VAL A 62 -2.265 -1.176 -6.110 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.198 -0.721 -8.167 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.190 -0.179 -8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.727 0.283 -10.715 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.852 1.400 -9.641 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.988 0.051 -10.417 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.234 -2.018 -9.978 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.516 -2.346 -9.648 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.728 -2.578 -8.366 1.00 0.00 H new ATOM 952 N VAL A 63 0.171 1.529 -7.166 1.00 0.00 N ATOM 953 CA VAL A 63 0.400 2.897 -6.716 1.00 0.00 C ATOM 954 C VAL A 63 -0.120 3.904 -7.736 1.00 0.00 C ATOM 955 O VAL A 63 0.499 4.123 -8.777 1.00 0.00 O ATOM 956 CB VAL A 63 1.896 3.162 -6.465 1.00 0.00 C ATOM 957 CG1 VAL A 63 2.118 4.605 -6.038 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.439 2.199 -5.421 1.00 0.00 C ATOM 0 H VAL A 63 1.018 1.022 -7.420 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.144 3.018 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 63 2.438 2.996 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.181 4.774 -5.865 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.767 5.275 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.565 4.802 -5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.497 2.400 -5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.894 2.331 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.315 1.174 -5.772 1.00 0.00 H new