USER MOD reduce.3.24.130724 H: found=0, std=0, add=297, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 297 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 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.25) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.115) USER MOD Single : A 20 LYS NZ :NH3+ -124:sc= 0.166 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00938 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.00335 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 28 SER OG : rot 71:sc= 0.338 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -9.925 7.986 -7.978 1.00 0.00 N ATOM 2 CA LEU A 1 -9.810 8.876 -9.143 1.00 0.00 C ATOM 3 C LEU A 1 -9.631 10.299 -8.653 1.00 0.00 C ATOM 4 O LEU A 1 -10.598 11.042 -8.604 1.00 0.00 O ATOM 5 CB LEU A 1 -11.049 8.744 -10.083 1.00 0.00 C ATOM 6 CG LEU A 1 -11.056 9.699 -11.319 1.00 0.00 C ATOM 7 CD1 LEU A 1 -9.787 9.551 -12.207 1.00 0.00 C ATOM 8 CD2 LEU A 1 -12.336 9.437 -12.164 1.00 0.00 C ATOM 0 H1 LEU A 1 -10.048 7.005 -8.301 1.00 0.00 H new ATOM 0 H2 LEU A 1 -9.062 8.055 -7.402 1.00 0.00 H new ATOM 0 H3 LEU A 1 -10.746 8.268 -7.406 1.00 0.00 H new ATOM 0 HA LEU A 1 -8.941 8.589 -9.735 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -11.106 7.715 -10.439 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -11.950 8.928 -9.497 1.00 0.00 H new ATOM 0 HG LEU A 1 -11.053 10.722 -10.942 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -9.850 10.240 -13.049 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -8.900 9.781 -11.616 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -9.720 8.529 -12.579 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -12.344 10.102 -13.028 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -12.342 8.401 -12.503 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -13.220 9.624 -11.554 1.00 0.00 H new ATOM 22 N VAL A 2 -8.393 10.691 -8.273 1.00 0.00 N ATOM 23 CA VAL A 2 -8.153 12.074 -7.861 1.00 0.00 C ATOM 24 C VAL A 2 -8.019 12.952 -9.086 1.00 0.00 C ATOM 25 O VAL A 2 -8.392 14.111 -8.993 1.00 0.00 O ATOM 26 CB VAL A 2 -6.948 12.244 -6.887 1.00 0.00 C ATOM 27 CG1 VAL A 2 -7.098 11.304 -5.659 1.00 0.00 C ATOM 28 CG2 VAL A 2 -5.572 12.033 -7.578 1.00 0.00 C ATOM 0 H VAL A 2 -7.574 10.083 -8.246 1.00 0.00 H new ATOM 0 HA VAL A 2 -9.020 12.392 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.967 13.279 -6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -6.247 11.438 -4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.018 11.545 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.135 10.268 -5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -4.774 12.165 -6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.523 11.026 -7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.453 12.761 -8.381 1.00 0.00 H new ATOM 38 N GLN A 3 -7.503 12.445 -10.235 1.00 0.00 N ATOM 39 CA GLN A 3 -7.371 13.295 -11.424 1.00 0.00 C ATOM 40 C GLN A 3 -7.332 12.549 -12.748 1.00 0.00 C ATOM 41 O GLN A 3 -8.019 12.992 -13.656 1.00 0.00 O ATOM 42 CB GLN A 3 -6.145 14.244 -11.290 1.00 0.00 C ATOM 43 CG GLN A 3 -4.784 13.504 -11.355 1.00 0.00 C ATOM 44 CD GLN A 3 -3.641 14.421 -10.993 1.00 0.00 C ATOM 45 OE1 GLN A 3 -3.082 14.279 -9.914 1.00 0.00 O ATOM 46 NE2 GLN A 3 -3.271 15.376 -11.873 1.00 0.00 N ATOM 0 H GLN A 3 -7.184 11.483 -10.353 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.290 13.880 -11.456 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.183 14.989 -12.084 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.213 14.782 -10.344 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.798 12.652 -10.675 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.631 13.108 -12.359 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.760 15.466 -12.764 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.503 16.008 -11.647 1.00 0.00 H new ATOM 55 N ARG A 4 -6.550 11.453 -12.928 1.00 0.00 N ATOM 56 CA ARG A 4 -6.398 10.862 -14.262 1.00 0.00 C ATOM 57 C ARG A 4 -6.038 9.395 -14.166 1.00 0.00 C ATOM 58 O ARG A 4 -5.581 8.982 -13.113 1.00 0.00 O ATOM 59 CB ARG A 4 -5.295 11.683 -14.989 1.00 0.00 C ATOM 60 CG ARG A 4 -5.086 11.287 -16.476 1.00 0.00 C ATOM 61 CD ARG A 4 -4.122 12.267 -17.196 1.00 0.00 C ATOM 62 NE ARG A 4 -3.944 11.864 -18.596 1.00 0.00 N ATOM 63 CZ ARG A 4 -3.115 10.921 -18.999 1.00 0.00 C ATOM 64 NH1 ARG A 4 -2.362 10.217 -18.186 1.00 0.00 N ATOM 65 NH2 ARG A 4 -3.035 10.667 -20.287 1.00 0.00 N ATOM 0 H ARG A 4 -6.034 10.981 -12.185 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.332 10.905 -14.822 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.552 12.741 -14.939 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.353 11.558 -14.455 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.685 10.275 -16.531 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.047 11.278 -16.990 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.520 13.281 -17.149 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.158 12.280 -16.688 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.498 12.345 -19.304 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.399 10.387 -17.181 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.740 9.500 -18.559 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.606 11.194 -20.947 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.402 9.943 -20.626 1.00 0.00 H new ATOM 79 N GLY A 5 -6.249 8.593 -15.237 1.00 0.00 N ATOM 80 CA GLY A 5 -5.969 7.162 -15.164 1.00 0.00 C ATOM 81 C GLY A 5 -4.629 6.828 -14.549 1.00 0.00 C ATOM 82 O GLY A 5 -4.600 6.009 -13.647 1.00 0.00 O ATOM 0 H GLY A 5 -6.604 8.915 -16.137 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.754 6.678 -14.584 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.011 6.742 -16.169 1.00 0.00 H new ATOM 86 N ARG A 6 -3.504 7.418 -15.016 1.00 0.00 N ATOM 87 CA ARG A 6 -2.208 7.034 -14.456 1.00 0.00 C ATOM 88 C ARG A 6 -2.095 7.521 -13.029 1.00 0.00 C ATOM 89 O ARG A 6 -1.867 6.717 -12.139 1.00 0.00 O ATOM 90 CB ARG A 6 -0.987 7.601 -15.236 1.00 0.00 C ATOM 91 CG ARG A 6 -0.848 7.023 -16.670 1.00 0.00 C ATOM 92 CD ARG A 6 0.423 7.590 -17.364 1.00 0.00 C ATOM 93 NE ARG A 6 0.502 7.160 -18.764 1.00 0.00 N ATOM 94 CZ ARG A 6 0.960 5.989 -19.159 1.00 0.00 C ATOM 95 NH1 ARG A 6 1.372 5.053 -18.334 1.00 0.00 N ATOM 96 NH2 ARG A 6 1.009 5.740 -20.449 1.00 0.00 N ATOM 0 H ARG A 6 -3.474 8.129 -15.746 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.178 5.947 -14.524 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.076 8.686 -15.297 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.077 7.387 -14.676 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.791 5.935 -16.626 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.732 7.273 -17.257 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.411 8.679 -17.316 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.312 7.257 -16.828 1.00 0.00 H new ATOM 0 HE ARG A 6 0.181 7.811 -19.480 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.347 5.214 -17.327 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.716 4.166 -18.701 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.697 6.445 -21.117 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.359 4.842 -20.782 1.00 0.00 H new ATOM 110 N PHE A 7 -2.224 8.848 -12.803 1.00 0.00 N ATOM 111 CA PHE A 7 -1.906 9.397 -11.486 1.00 0.00 C ATOM 112 C PHE A 7 -2.850 8.813 -10.462 1.00 0.00 C ATOM 113 O PHE A 7 -2.401 8.383 -9.414 1.00 0.00 O ATOM 114 CB PHE A 7 -1.980 10.944 -11.499 1.00 0.00 C ATOM 115 CG PHE A 7 -1.392 11.529 -10.208 1.00 0.00 C ATOM 116 CD1 PHE A 7 -2.165 11.598 -9.045 1.00 0.00 C ATOM 117 CD2 PHE A 7 -0.075 12.006 -10.186 1.00 0.00 C ATOM 118 CE1 PHE A 7 -1.648 12.188 -7.888 1.00 0.00 C ATOM 119 CE2 PHE A 7 0.434 12.620 -9.038 1.00 0.00 C ATOM 120 CZ PHE A 7 -0.355 12.719 -7.891 1.00 0.00 C ATOM 0 H PHE A 7 -2.536 9.530 -13.495 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.884 9.126 -11.221 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.435 11.331 -12.360 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.017 11.262 -11.608 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.166 11.194 -9.041 1.00 0.00 H new ATOM 0 HD2 PHE A 7 0.550 11.899 -11.060 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.248 12.234 -6.991 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.438 13.018 -9.039 1.00 0.00 H new ATOM 0 HZ PHE A 7 0.033 13.205 -7.008 1.00 0.00 H new ATOM 130 N GLY A 8 -4.168 8.767 -10.749 1.00 0.00 N ATOM 131 CA GLY A 8 -5.075 8.039 -9.868 1.00 0.00 C ATOM 132 C GLY A 8 -4.839 6.578 -10.172 1.00 0.00 C ATOM 133 O GLY A 8 -5.453 6.126 -11.123 1.00 0.00 O ATOM 0 H GLY A 8 -4.606 9.211 -11.556 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -4.869 8.261 -8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.112 8.317 -10.055 1.00 0.00 H new ATOM 137 N ARG A 9 -3.959 5.877 -9.409 1.00 0.00 N ATOM 138 CA ARG A 9 -3.617 4.464 -9.633 1.00 0.00 C ATOM 139 C ARG A 9 -2.132 4.248 -9.404 1.00 0.00 C ATOM 140 O ARG A 9 -1.805 3.172 -8.931 1.00 0.00 O ATOM 141 CB ARG A 9 -3.974 3.781 -10.989 1.00 0.00 C ATOM 142 CG ARG A 9 -5.415 3.182 -10.998 1.00 0.00 C ATOM 143 CD ARG A 9 -5.863 2.717 -12.413 1.00 0.00 C ATOM 144 NE ARG A 9 -5.134 1.544 -12.905 1.00 0.00 N ATOM 145 CZ ARG A 9 -5.341 1.006 -14.091 1.00 0.00 C ATOM 146 NH1 ARG A 9 -6.221 1.478 -14.945 1.00 0.00 N ATOM 147 NH2 ARG A 9 -4.641 -0.050 -14.438 1.00 0.00 N ATOM 0 H ARG A 9 -3.467 6.289 -8.616 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.275 3.980 -8.912 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.883 4.510 -11.794 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.254 2.989 -11.193 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.457 2.336 -10.312 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.117 3.929 -10.626 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.929 2.489 -12.390 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -5.728 3.539 -13.116 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.430 1.122 -12.299 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.780 2.296 -14.702 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.345 1.027 -15.851 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -3.952 -0.439 -13.794 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.786 -0.481 -15.351 1.00 0.00 H new ATOM 161 N PHE A 10 -1.230 5.208 -9.731 1.00 0.00 N ATOM 162 CA PHE A 10 0.219 4.999 -9.561 1.00 0.00 C ATOM 163 C PHE A 10 0.691 4.819 -8.121 1.00 0.00 C ATOM 164 O PHE A 10 1.582 5.543 -7.709 1.00 0.00 O ATOM 165 CB PHE A 10 1.014 6.158 -10.243 1.00 0.00 C ATOM 166 CG PHE A 10 1.044 7.488 -9.463 1.00 0.00 C ATOM 167 CD1 PHE A 10 0.127 7.800 -8.451 1.00 0.00 C ATOM 168 CD2 PHE A 10 2.044 8.419 -9.765 1.00 0.00 C ATOM 169 CE1 PHE A 10 0.235 8.988 -7.723 1.00 0.00 C ATOM 170 CE2 PHE A 10 2.192 9.583 -9.004 1.00 0.00 C ATOM 171 CZ PHE A 10 1.311 9.848 -7.954 1.00 0.00 C ATOM 0 H PHE A 10 -1.482 6.121 -10.109 1.00 0.00 H new ATOM 0 HA PHE A 10 0.424 4.046 -10.049 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.040 5.827 -10.403 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.582 6.343 -11.226 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.676 7.112 -8.230 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.710 8.236 -10.596 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.511 9.240 -6.984 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.988 10.277 -9.229 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.461 10.713 -7.324 1.00 0.00 H new ATOM 181 N LEU A 11 0.126 3.860 -7.349 1.00 0.00 N ATOM 182 CA LEU A 11 0.415 3.674 -5.921 1.00 0.00 C ATOM 183 C LEU A 11 -0.851 3.184 -5.251 1.00 0.00 C ATOM 184 O LEU A 11 -0.763 2.345 -4.368 1.00 0.00 O ATOM 185 CB LEU A 11 1.052 4.829 -5.083 1.00 0.00 C ATOM 186 CG LEU A 11 0.236 6.160 -5.043 1.00 0.00 C ATOM 187 CD1 LEU A 11 -0.773 6.210 -3.857 1.00 0.00 C ATOM 188 CD2 LEU A 11 1.200 7.376 -4.930 1.00 0.00 C ATOM 0 H LEU A 11 -0.551 3.189 -7.713 1.00 0.00 H new ATOM 0 HA LEU A 11 1.239 2.960 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.192 4.478 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.042 5.042 -5.485 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.332 6.204 -5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.313 7.157 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.481 5.387 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.232 6.122 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.620 8.299 -4.903 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.788 7.290 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.868 7.392 -5.791 1.00 0.00 H new ATOM 200 N ARG A 12 -2.042 3.692 -5.653 1.00 0.00 N ATOM 201 CA ARG A 12 -3.280 3.254 -5.011 1.00 0.00 C ATOM 202 C ARG A 12 -3.524 1.792 -5.322 1.00 0.00 C ATOM 203 O ARG A 12 -3.797 1.042 -4.397 1.00 0.00 O ATOM 204 CB ARG A 12 -4.500 4.105 -5.472 1.00 0.00 C ATOM 205 CG ARG A 12 -5.766 3.917 -4.582 1.00 0.00 C ATOM 206 CD ARG A 12 -5.768 4.835 -3.326 1.00 0.00 C ATOM 207 NE ARG A 12 -5.912 6.254 -3.670 1.00 0.00 N ATOM 208 CZ ARG A 12 -5.885 7.226 -2.781 1.00 0.00 C ATOM 209 NH1 ARG A 12 -5.746 7.012 -1.493 1.00 0.00 N ATOM 210 NH2 ARG A 12 -6.005 8.466 -3.198 1.00 0.00 N ATOM 0 H ARG A 12 -2.159 4.382 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.168 3.390 -3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.219 5.158 -5.471 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.747 3.842 -6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.656 4.123 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.829 2.876 -4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.583 4.540 -2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.840 4.691 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.040 6.502 -4.651 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.653 6.059 -1.141 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.731 7.799 -0.844 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.116 8.661 -4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.987 9.234 -2.527 1.00 0.00 H new ATOM 224 N LYS A 13 -3.444 1.373 -6.610 1.00 0.00 N ATOM 225 CA LYS A 13 -3.779 -0.005 -6.978 1.00 0.00 C ATOM 226 C LYS A 13 -2.794 -0.548 -7.993 1.00 0.00 C ATOM 227 O LYS A 13 -3.220 -1.195 -8.937 1.00 0.00 O ATOM 228 CB LYS A 13 -5.224 -0.058 -7.549 1.00 0.00 C ATOM 229 CG LYS A 13 -6.289 0.464 -6.544 1.00 0.00 C ATOM 230 CD LYS A 13 -7.747 0.421 -7.094 1.00 0.00 C ATOM 231 CE LYS A 13 -8.522 -0.906 -6.833 1.00 0.00 C ATOM 232 NZ LYS A 13 -7.952 -2.112 -7.476 1.00 0.00 N ATOM 0 H LYS A 13 -3.155 1.964 -7.389 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.721 -0.628 -6.085 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.271 0.536 -8.462 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.464 -1.085 -7.824 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.237 -0.131 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.044 1.490 -6.270 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.309 1.243 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.717 0.599 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.566 -1.075 -5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.548 -0.781 -7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.607 -2.911 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.808 -1.930 -8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.040 -2.343 -7.033 1.00 0.00 H new ATOM 246 N ILE A 14 -1.472 -0.314 -7.818 1.00 0.00 N ATOM 247 CA ILE A 14 -0.505 -0.855 -8.782 1.00 0.00 C ATOM 248 C ILE A 14 0.950 -0.759 -8.355 1.00 0.00 C ATOM 249 O ILE A 14 1.675 -1.694 -8.649 1.00 0.00 O ATOM 250 CB ILE A 14 -0.687 -0.279 -10.230 1.00 0.00 C ATOM 251 CG1 ILE A 14 -0.472 -1.408 -11.285 1.00 0.00 C ATOM 252 CG2 ILE A 14 0.243 0.933 -10.508 1.00 0.00 C ATOM 253 CD1 ILE A 14 -0.611 -0.940 -12.758 1.00 0.00 C ATOM 0 H ILE A 14 -1.070 0.223 -7.050 1.00 0.00 H new ATOM 0 HA ILE A 14 -0.749 -1.917 -8.801 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.708 0.093 -10.311 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.520 -1.837 -11.144 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.193 -2.205 -11.100 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.077 1.293 -11.523 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.022 1.731 -9.799 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.283 0.626 -10.397 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.447 -1.786 -13.426 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.612 -0.539 -12.920 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.128 -0.166 -12.965 1.00 0.00 H new ATOM 265 N ARG A 15 1.412 0.335 -7.702 1.00 0.00 N ATOM 266 CA ARG A 15 2.824 0.490 -7.346 1.00 0.00 C ATOM 267 C ARG A 15 3.614 0.783 -8.609 1.00 0.00 C ATOM 268 O ARG A 15 3.899 1.945 -8.848 1.00 0.00 O ATOM 269 CB ARG A 15 3.402 -0.650 -6.450 1.00 0.00 C ATOM 270 CG ARG A 15 3.266 -0.367 -4.924 1.00 0.00 C ATOM 271 CD ARG A 15 1.789 -0.265 -4.459 1.00 0.00 C ATOM 272 NE ARG A 15 1.735 -0.195 -2.995 1.00 0.00 N ATOM 273 CZ ARG A 15 1.978 0.891 -2.290 1.00 0.00 C ATOM 274 NH1 ARG A 15 2.304 2.047 -2.822 1.00 0.00 N ATOM 275 NH2 ARG A 15 1.897 0.820 -0.979 1.00 0.00 N ATOM 0 H ARG A 15 0.821 1.116 -7.416 1.00 0.00 H new ATOM 0 HA ARG A 15 2.922 1.346 -6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.890 -1.583 -6.686 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.455 -0.794 -6.693 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.763 -1.161 -4.367 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.782 0.563 -4.684 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.322 0.619 -4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.226 -1.129 -4.812 1.00 0.00 H new ATOM 0 HE ARG A 15 1.493 -1.046 -2.488 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.381 2.139 -3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.480 2.853 -2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.651 -0.062 -0.530 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.081 1.647 -0.411 1.00 0.00 H new ATOM 289 N ARG A 16 3.953 -0.245 -9.420 1.00 0.00 N ATOM 290 CA ARG A 16 4.584 -0.055 -10.733 1.00 0.00 C ATOM 291 C ARG A 16 6.067 -0.386 -10.693 1.00 0.00 C ATOM 292 O ARG A 16 6.451 -1.399 -11.254 1.00 0.00 O ATOM 293 CB ARG A 16 4.316 1.298 -11.464 1.00 0.00 C ATOM 294 CG ARG A 16 4.442 1.189 -13.011 1.00 0.00 C ATOM 295 CD ARG A 16 3.153 0.656 -13.699 1.00 0.00 C ATOM 296 NE ARG A 16 3.388 0.460 -15.132 1.00 0.00 N ATOM 297 CZ ARG A 16 3.356 1.422 -16.033 1.00 0.00 C ATOM 298 NH1 ARG A 16 3.119 2.683 -15.748 1.00 0.00 N ATOM 299 NH2 ARG A 16 3.573 1.107 -17.292 1.00 0.00 N ATOM 0 H ARG A 16 3.795 -1.223 -9.178 1.00 0.00 H new ATOM 0 HA ARG A 16 4.063 -0.778 -11.361 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.316 1.650 -11.210 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.019 2.047 -11.100 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.683 2.171 -13.419 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.275 0.529 -13.255 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.850 -0.285 -13.241 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.335 1.361 -13.550 1.00 0.00 H new ATOM 0 HE ARG A 16 3.590 -0.486 -15.455 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.946 2.964 -14.783 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.108 3.381 -16.492 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.760 0.138 -17.550 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.554 1.832 -18.010 1.00 0.00 H new ATOM 313 N PHE A 17 6.924 0.446 -10.054 1.00 0.00 N ATOM 314 CA PHE A 17 8.374 0.206 -10.059 1.00 0.00 C ATOM 315 C PHE A 17 9.091 1.322 -9.320 1.00 0.00 C ATOM 316 O PHE A 17 8.424 2.269 -8.939 1.00 0.00 O ATOM 317 CB PHE A 17 8.953 -0.016 -11.491 1.00 0.00 C ATOM 318 CG PHE A 17 8.284 0.815 -12.600 1.00 0.00 C ATOM 319 CD1 PHE A 17 7.971 2.166 -12.414 1.00 0.00 C ATOM 320 CD2 PHE A 17 7.992 0.218 -13.833 1.00 0.00 C ATOM 321 CE1 PHE A 17 7.404 2.914 -13.451 1.00 0.00 C ATOM 322 CE2 PHE A 17 7.425 0.962 -14.873 1.00 0.00 C ATOM 323 CZ PHE A 17 7.135 2.315 -14.684 1.00 0.00 C ATOM 0 H PHE A 17 6.635 1.276 -9.537 1.00 0.00 H new ATOM 0 HA PHE A 17 8.551 -0.730 -9.530 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.018 0.217 -11.476 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.861 -1.072 -11.744 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.169 2.635 -11.462 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.207 -0.830 -13.983 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.173 3.958 -13.298 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.212 0.491 -15.821 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.705 2.895 -15.487 1.00 0.00 H new ATOM 333 N ARG A 18 10.425 1.236 -9.099 1.00 0.00 N ATOM 334 CA ARG A 18 11.147 2.316 -8.415 1.00 0.00 C ATOM 335 C ARG A 18 10.804 2.184 -6.940 1.00 0.00 C ATOM 336 O ARG A 18 10.811 1.020 -6.571 1.00 0.00 O ATOM 337 CB ARG A 18 11.031 3.637 -9.234 1.00 0.00 C ATOM 338 CG ARG A 18 11.415 3.391 -10.723 1.00 0.00 C ATOM 339 CD ARG A 18 11.316 4.685 -11.574 1.00 0.00 C ATOM 340 NE ARG A 18 11.570 4.367 -12.984 1.00 0.00 N ATOM 341 CZ ARG A 18 12.768 4.207 -13.509 1.00 0.00 C ATOM 342 NH1 ARG A 18 13.884 4.312 -12.820 1.00 0.00 N ATOM 343 NH2 ARG A 18 12.858 3.924 -14.789 1.00 0.00 N ATOM 0 H ARG A 18 11.005 0.445 -9.380 1.00 0.00 H new ATOM 0 HA ARG A 18 12.236 2.281 -8.386 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.013 4.021 -9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.684 4.397 -8.805 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.431 3.001 -10.775 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.759 2.629 -11.145 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.327 5.130 -11.463 1.00 0.00 H new ATOM 0 HD3 ARG A 18 12.038 5.421 -11.221 1.00 0.00 H new ATOM 0 HE ARG A 18 10.764 4.263 -13.600 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.850 4.528 -11.824 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.783 4.177 -13.282 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.012 3.833 -15.352 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.774 3.795 -15.220 1.00 0.00 H new ATOM 357 N PRO A 19 10.511 3.143 -6.017 1.00 0.00 N ATOM 358 CA PRO A 19 10.278 2.754 -4.626 1.00 0.00 C ATOM 359 C PRO A 19 8.848 2.294 -4.424 1.00 0.00 C ATOM 360 O PRO A 19 8.160 2.841 -3.577 1.00 0.00 O ATOM 361 CB PRO A 19 10.600 4.106 -3.938 1.00 0.00 C ATOM 362 CG PRO A 19 10.049 5.143 -4.942 1.00 0.00 C ATOM 363 CD PRO A 19 10.471 4.566 -6.316 1.00 0.00 C ATOM 0 HA PRO A 19 10.859 1.913 -4.249 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.117 4.189 -2.965 1.00 0.00 H new ATOM 0 HB3 PRO A 19 11.670 4.231 -3.774 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.967 5.244 -4.863 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.474 6.132 -4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.753 4.803 -7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.439 4.946 -6.644 1.00 0.00 H new ATOM 371 N LYS A 20 8.386 1.288 -5.203 1.00 0.00 N ATOM 372 CA LYS A 20 6.985 0.872 -5.176 1.00 0.00 C ATOM 373 C LYS A 20 6.908 -0.628 -5.458 1.00 0.00 C ATOM 374 O LYS A 20 6.604 -1.367 -4.535 1.00 0.00 O ATOM 375 CB LYS A 20 6.232 1.792 -6.183 1.00 0.00 C ATOM 376 CG LYS A 20 6.033 3.253 -5.685 1.00 0.00 C ATOM 377 CD LYS A 20 5.042 4.085 -6.551 1.00 0.00 C ATOM 378 CE LYS A 20 5.584 4.428 -7.966 1.00 0.00 C ATOM 379 NZ LYS A 20 4.549 5.112 -8.776 1.00 0.00 N ATOM 0 H LYS A 20 8.969 0.758 -5.851 1.00 0.00 H new ATOM 0 HA LYS A 20 6.500 0.993 -4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.784 1.812 -7.123 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.256 1.356 -6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.671 3.230 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.000 3.757 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.109 3.530 -6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.806 5.012 -6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.464 5.066 -7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.901 3.515 -8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.396 4.586 -9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.659 5.153 -8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.864 6.078 -8.998 1.00 0.00 H new ATOM 393 N VAL A 21 7.195 -1.109 -6.695 1.00 0.00 N ATOM 394 CA VAL A 21 7.412 -2.543 -6.974 1.00 0.00 C ATOM 395 C VAL A 21 6.214 -3.479 -6.941 1.00 0.00 C ATOM 396 O VAL A 21 6.105 -4.277 -7.860 1.00 0.00 O ATOM 397 CB VAL A 21 8.572 -3.142 -6.116 1.00 0.00 C ATOM 398 CG1 VAL A 21 8.774 -4.663 -6.380 1.00 0.00 C ATOM 399 CG2 VAL A 21 9.904 -2.395 -6.402 1.00 0.00 C ATOM 0 H VAL A 21 7.281 -0.514 -7.519 1.00 0.00 H new ATOM 0 HA VAL A 21 7.679 -2.504 -8.030 1.00 0.00 H new ATOM 0 HB VAL A 21 8.289 -3.012 -5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.591 -5.034 -5.761 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.858 -5.200 -6.133 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.015 -4.821 -7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.700 -2.826 -5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.158 -2.494 -7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 21 9.790 -1.340 -6.154 1.00 0.00 H new ATOM 409 N THR A 22 5.335 -3.466 -5.914 1.00 0.00 N ATOM 410 CA THR A 22 4.339 -4.533 -5.744 1.00 0.00 C ATOM 411 C THR A 22 3.658 -5.052 -7.001 1.00 0.00 C ATOM 412 O THR A 22 3.234 -6.196 -6.962 1.00 0.00 O ATOM 413 CB THR A 22 3.297 -4.107 -4.667 1.00 0.00 C ATOM 414 OG1 THR A 22 3.976 -3.562 -3.522 1.00 0.00 O ATOM 415 CG2 THR A 22 2.348 -5.241 -4.205 1.00 0.00 C ATOM 0 H THR A 22 5.299 -2.736 -5.202 1.00 0.00 H new ATOM 0 HA THR A 22 4.915 -5.398 -5.415 1.00 0.00 H new ATOM 0 HB THR A 22 2.666 -3.359 -5.148 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.317 -3.294 -2.848 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.657 -4.855 -3.456 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.784 -5.615 -5.060 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.934 -6.053 -3.774 1.00 0.00 H new ATOM 423 N ILE A 23 3.538 -4.303 -8.125 1.00 0.00 N ATOM 424 CA ILE A 23 2.936 -4.880 -9.333 1.00 0.00 C ATOM 425 C ILE A 23 3.509 -6.252 -9.611 1.00 0.00 C ATOM 426 O ILE A 23 2.756 -7.134 -9.988 1.00 0.00 O ATOM 427 CB ILE A 23 3.094 -4.028 -10.638 1.00 0.00 C ATOM 428 CG1 ILE A 23 2.199 -4.594 -11.784 1.00 0.00 C ATOM 429 CG2 ILE A 23 4.579 -3.902 -11.086 1.00 0.00 C ATOM 430 CD1 ILE A 23 2.233 -3.756 -13.092 1.00 0.00 C ATOM 0 H ILE A 23 3.841 -3.333 -8.212 1.00 0.00 H new ATOM 0 HA ILE A 23 1.872 -4.916 -9.101 1.00 0.00 H new ATOM 0 HB ILE A 23 2.752 -3.019 -10.407 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.518 -5.612 -12.010 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.170 -4.653 -11.430 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.635 -3.303 -11.995 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.157 -3.421 -10.297 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.986 -4.894 -11.280 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.585 -4.218 -13.837 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.885 -2.744 -12.885 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.253 -3.718 -13.473 1.00 0.00 H new ATOM 442 N THR A 24 4.835 -6.458 -9.435 1.00 0.00 N ATOM 443 CA THR A 24 5.420 -7.757 -9.762 1.00 0.00 C ATOM 444 C THR A 24 4.857 -8.809 -8.837 1.00 0.00 C ATOM 445 O THR A 24 4.556 -9.902 -9.292 1.00 0.00 O ATOM 446 CB THR A 24 6.972 -7.802 -9.654 1.00 0.00 C ATOM 447 OG1 THR A 24 7.421 -7.652 -8.298 1.00 0.00 O ATOM 448 CG2 THR A 24 7.669 -6.778 -10.592 1.00 0.00 C ATOM 0 H THR A 24 5.491 -5.762 -9.081 1.00 0.00 H new ATOM 0 HA THR A 24 5.162 -7.945 -10.804 1.00 0.00 H new ATOM 0 HB THR A 24 7.268 -8.795 -9.994 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.400 -7.687 -8.272 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.750 -6.854 -10.474 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.401 -6.991 -11.627 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.346 -5.769 -10.334 1.00 0.00 H new ATOM 456 N ILE A 25 4.712 -8.495 -7.530 1.00 0.00 N ATOM 457 CA ILE A 25 4.192 -9.485 -6.588 1.00 0.00 C ATOM 458 C ILE A 25 2.789 -9.862 -7.006 1.00 0.00 C ATOM 459 O ILE A 25 2.511 -11.043 -7.128 1.00 0.00 O ATOM 460 CB ILE A 25 4.224 -8.957 -5.120 1.00 0.00 C ATOM 461 CG1 ILE A 25 5.698 -8.855 -4.620 1.00 0.00 C ATOM 462 CG2 ILE A 25 3.354 -9.859 -4.201 1.00 0.00 C ATOM 463 CD1 ILE A 25 5.860 -8.090 -3.277 1.00 0.00 C ATOM 0 H ILE A 25 4.943 -7.589 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 25 4.829 -10.369 -6.611 1.00 0.00 H new ATOM 0 HB ILE A 25 3.796 -7.955 -5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.102 -9.861 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.296 -8.358 -5.384 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.387 -9.478 -3.180 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.324 -9.855 -4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.740 -10.878 -4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.913 -8.063 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.489 -7.072 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.291 -8.598 -2.498 1.00 0.00 H new ATOM 475 N GLN A 26 1.886 -8.881 -7.225 1.00 0.00 N ATOM 476 CA GLN A 26 0.520 -9.229 -7.623 1.00 0.00 C ATOM 477 C GLN A 26 0.565 -10.000 -8.921 1.00 0.00 C ATOM 478 O GLN A 26 -0.102 -11.018 -9.032 1.00 0.00 O ATOM 479 CB GLN A 26 -0.375 -7.971 -7.804 1.00 0.00 C ATOM 480 CG GLN A 26 -0.730 -7.329 -6.434 1.00 0.00 C ATOM 481 CD GLN A 26 -1.392 -5.978 -6.570 1.00 0.00 C ATOM 482 OE1 GLN A 26 -1.685 -5.552 -7.677 1.00 0.00 O ATOM 483 NE2 GLN A 26 -1.639 -5.274 -5.443 1.00 0.00 N ATOM 0 H GLN A 26 2.074 -7.882 -7.136 1.00 0.00 H new ATOM 0 HA GLN A 26 0.084 -9.834 -6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.142 -7.241 -8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.291 -8.246 -8.328 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.393 -7.999 -5.886 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.179 -7.224 -5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.381 -5.659 -4.534 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.083 -4.358 -5.501 1.00 0.00 H new ATOM 492 N GLY A 27 1.353 -9.526 -9.912 1.00 0.00 N ATOM 493 CA GLY A 27 1.441 -10.227 -11.188 1.00 0.00 C ATOM 494 C GLY A 27 1.789 -11.677 -10.964 1.00 0.00 C ATOM 495 O GLY A 27 1.168 -12.536 -11.570 1.00 0.00 O ATOM 0 H GLY A 27 1.920 -8.681 -9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.492 -10.151 -11.719 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.197 -9.757 -11.818 1.00 0.00 H new ATOM 499 N SER A 28 2.782 -11.967 -10.092 1.00 0.00 N ATOM 500 CA SER A 28 3.110 -13.359 -9.806 1.00 0.00 C ATOM 501 C SER A 28 1.885 -14.005 -9.202 1.00 0.00 C ATOM 502 O SER A 28 1.417 -14.995 -9.743 1.00 0.00 O ATOM 503 CB SER A 28 4.340 -13.485 -8.869 1.00 0.00 C ATOM 504 OG SER A 28 5.449 -12.810 -9.487 1.00 0.00 O ATOM 0 H SER A 28 3.345 -11.275 -9.596 1.00 0.00 H new ATOM 0 HA SER A 28 3.387 -13.868 -10.729 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.122 -13.045 -7.896 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.581 -14.534 -8.698 1.00 0.00 H new ATOM 0 HG SER A 28 5.298 -11.842 -9.462 1.00 0.00 H new ATOM 510 N ALA A 29 1.347 -13.437 -8.097 1.00 0.00 N ATOM 511 CA ALA A 29 0.128 -13.972 -7.495 1.00 0.00 C ATOM 512 C ALA A 29 -0.345 -13.074 -6.369 1.00 0.00 C ATOM 513 O ALA A 29 -1.414 -12.496 -6.490 1.00 0.00 O ATOM 514 CB ALA A 29 0.310 -15.418 -6.957 1.00 0.00 C ATOM 0 H ALA A 29 1.737 -12.624 -7.620 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.620 -14.005 -8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.627 -15.765 -6.521 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.595 -16.078 -7.776 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.090 -15.427 -6.196 1.00 0.00 H new ATOM 520 N ARG A 30 0.428 -12.950 -5.261 1.00 0.00 N ATOM 521 CA ARG A 30 -0.056 -12.187 -4.106 1.00 0.00 C ATOM 522 C ARG A 30 0.984 -12.138 -3.003 1.00 0.00 C ATOM 523 O ARG A 30 1.291 -11.060 -2.520 1.00 0.00 O ATOM 524 CB ARG A 30 -1.377 -12.790 -3.526 1.00 0.00 C ATOM 525 CG ARG A 30 -2.503 -11.733 -3.342 1.00 0.00 C ATOM 526 CD ARG A 30 -2.167 -10.670 -2.260 1.00 0.00 C ATOM 527 NE ARG A 30 -3.265 -9.701 -2.165 1.00 0.00 N ATOM 528 CZ ARG A 30 -4.381 -9.900 -1.493 1.00 0.00 C ATOM 529 NH1 ARG A 30 -4.647 -11.004 -0.830 1.00 0.00 N ATOM 530 NH2 ARG A 30 -5.286 -8.945 -1.482 1.00 0.00 N ATOM 0 H ARG A 30 1.357 -13.357 -5.152 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.254 -11.177 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.732 -13.578 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.164 -13.256 -2.564 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.682 -11.231 -4.293 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.429 -12.240 -3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.011 -11.154 -1.296 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.238 -10.159 -2.514 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.157 -8.812 -2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -3.970 -11.767 -0.817 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.530 -11.097 -0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.115 -8.075 -1.986 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.158 -9.075 -0.969 1.00 0.00 H new ATOM 544 N PHE A 31 1.531 -13.303 -2.581 1.00 0.00 N ATOM 545 CA PHE A 31 2.587 -13.293 -1.570 1.00 0.00 C ATOM 546 C PHE A 31 3.852 -12.784 -2.214 1.00 0.00 C ATOM 547 O PHE A 31 4.463 -11.847 -1.728 1.00 0.00 O ATOM 548 CB PHE A 31 2.853 -14.706 -0.986 1.00 0.00 C ATOM 549 CG PHE A 31 1.592 -15.224 -0.277 1.00 0.00 C ATOM 550 CD1 PHE A 31 1.286 -14.770 1.010 1.00 0.00 C ATOM 551 CD2 PHE A 31 0.742 -16.146 -0.900 1.00 0.00 C ATOM 552 CE1 PHE A 31 0.141 -15.229 1.668 1.00 0.00 C ATOM 553 CE2 PHE A 31 -0.406 -16.601 -0.246 1.00 0.00 C ATOM 554 CZ PHE A 31 -0.707 -16.144 1.039 1.00 0.00 C ATOM 555 OXT PHE A 31 4.266 -13.307 -3.234 1.00 0.00 O ATOM 0 H PHE A 31 1.262 -14.227 -2.918 1.00 0.00 H new ATOM 0 HA PHE A 31 2.268 -12.651 -0.749 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.140 -15.391 -1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.686 -14.668 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.938 -14.061 1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.975 -16.507 -1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -0.088 -14.876 2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.061 -17.307 -0.735 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.593 -16.497 1.545 1.00 0.00 H new TER 565 PHE A 31