USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 439 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 6 CYS SG : rot 178:sc= -3.48! USER MOD Single : A 8 THR OG1 : rot 136:sc= 1.76 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -125:sc= 0.619 (180deg=0.524) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.134 K(o=-0.13,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 -2.917 10.340 9.181 1.00 0.00 N ATOM 32 CA GLY A 3 -1.560 10.206 8.639 1.00 0.00 C ATOM 33 C GLY A 3 -1.552 9.816 7.157 1.00 0.00 C ATOM 34 O GLY A 3 -2.617 9.559 6.577 1.00 0.00 O ATOM 0 HA2 GLY A 3 -1.028 11.149 8.765 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.017 9.454 9.211 1.00 0.00 H new ATOM 38 N ALA A 4 -0.354 9.776 6.544 1.00 0.00 N ATOM 39 CA ALA A 4 -0.189 9.449 5.112 1.00 0.00 C ATOM 40 C ALA A 4 -0.665 8.012 4.835 1.00 0.00 C ATOM 41 O ALA A 4 -0.011 7.042 5.229 1.00 0.00 O ATOM 42 CB ALA A 4 1.274 9.648 4.674 1.00 0.00 C ATOM 0 H ALA A 4 0.525 9.969 7.024 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.806 10.129 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.374 9.402 3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.564 10.687 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.921 8.996 5.261 1.00 0.00 H new ATOM 48 N ARG A 5 -1.840 7.905 4.207 1.00 0.00 N ATOM 49 CA ARG A 5 -2.476 6.622 3.870 1.00 0.00 C ATOM 50 C ARG A 5 -2.400 6.429 2.341 1.00 0.00 C ATOM 51 O ARG A 5 -1.988 7.340 1.609 1.00 0.00 O ATOM 52 CB ARG A 5 -3.946 6.629 4.390 1.00 0.00 C ATOM 53 CG ARG A 5 -4.597 5.239 4.591 1.00 0.00 C ATOM 54 CD ARG A 5 -6.064 5.344 5.046 1.00 0.00 C ATOM 55 NE ARG A 5 -6.600 4.068 5.551 1.00 0.00 N ATOM 56 CZ ARG A 5 -7.870 3.872 5.926 1.00 0.00 C ATOM 57 NH1 ARG A 5 -8.804 4.780 5.672 1.00 0.00 N ATOM 58 NH2 ARG A 5 -8.214 2.737 6.499 1.00 0.00 N ATOM 0 H ARG A 5 -2.385 8.716 3.914 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.963 5.786 4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -3.973 7.162 5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.557 7.197 3.688 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.547 4.678 3.658 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.028 4.677 5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.144 6.100 5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.675 5.684 4.210 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.958 3.278 5.620 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.558 5.642 5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.767 4.616 5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.514 2.012 6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -9.181 2.583 6.786 1.00 0.00 H new ATOM 72 N CYS A 6 -2.793 5.245 1.869 1.00 0.00 N ATOM 73 CA CYS A 6 -2.662 4.848 0.463 1.00 0.00 C ATOM 74 C CYS A 6 -3.789 3.888 0.072 1.00 0.00 C ATOM 75 O CYS A 6 -4.347 3.186 0.922 1.00 0.00 O ATOM 76 CB CYS A 6 -1.285 4.184 0.232 1.00 0.00 C ATOM 77 SG CYS A 6 0.110 5.210 0.738 1.00 0.00 S ATOM 0 H CYS A 6 -3.216 4.526 2.457 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.736 5.737 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.249 3.242 0.780 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.181 3.942 -0.826 1.00 0.00 H new ATOM 0 HG CYS A 6 1.218 4.556 0.556 1.00 0.00 H new ATOM 83 N ARG A 7 -4.120 3.884 -1.225 1.00 0.00 N ATOM 84 CA ARG A 7 -5.101 2.965 -1.818 1.00 0.00 C ATOM 85 C ARG A 7 -4.502 2.327 -3.066 1.00 0.00 C ATOM 86 O ARG A 7 -3.929 3.025 -3.904 1.00 0.00 O ATOM 87 CB ARG A 7 -6.410 3.704 -2.199 1.00 0.00 C ATOM 88 CG ARG A 7 -7.263 4.169 -1.004 1.00 0.00 C ATOM 89 CD ARG A 7 -8.566 4.852 -1.448 1.00 0.00 C ATOM 90 NE ARG A 7 -9.344 3.988 -2.365 1.00 0.00 N ATOM 91 CZ ARG A 7 -10.648 3.699 -2.260 1.00 0.00 C ATOM 92 NH1 ARG A 7 -11.384 4.199 -1.271 1.00 0.00 N ATOM 93 NH2 ARG A 7 -11.210 2.903 -3.159 1.00 0.00 N ATOM 0 H ARG A 7 -3.709 4.527 -1.902 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.343 2.201 -1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.156 4.573 -2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.014 3.045 -2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.501 3.311 -0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.683 4.861 -0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.169 5.092 -0.572 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.334 5.795 -1.943 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.840 3.574 -3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.957 4.813 -0.577 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -12.376 3.968 -1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.650 2.518 -3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -12.202 2.676 -3.090 1.00 0.00 H new ATOM 107 N THR A 8 -4.640 1.006 -3.183 1.00 0.00 N ATOM 108 CA THR A 8 -4.233 0.273 -4.386 1.00 0.00 C ATOM 109 C THR A 8 -5.316 0.451 -5.469 1.00 0.00 C ATOM 110 O THR A 8 -6.486 0.149 -5.236 1.00 0.00 O ATOM 111 CB THR A 8 -4.000 -1.231 -4.056 1.00 0.00 C ATOM 112 OG1 THR A 8 -5.184 -1.790 -3.482 1.00 0.00 O ATOM 113 CG2 THR A 8 -2.826 -1.430 -3.071 1.00 0.00 C ATOM 0 H THR A 8 -5.035 0.415 -2.452 1.00 0.00 H new ATOM 0 HA THR A 8 -3.290 0.671 -4.761 1.00 0.00 H new ATOM 0 HB THR A 8 -3.754 -1.735 -4.991 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.358 -2.668 -3.881 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.698 -2.493 -2.868 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.911 -1.032 -3.510 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.040 -0.906 -2.140 1.00 0.00 H new ATOM 121 N LEU A 9 -4.915 0.986 -6.631 1.00 0.00 N ATOM 122 CA LEU A 9 -5.847 1.321 -7.727 1.00 0.00 C ATOM 123 C LEU A 9 -6.440 0.044 -8.360 1.00 0.00 C ATOM 124 O LEU A 9 -7.654 -0.057 -8.563 1.00 0.00 O ATOM 125 CB LEU A 9 -5.116 2.184 -8.792 1.00 0.00 C ATOM 126 CG LEU A 9 -4.518 3.526 -8.263 1.00 0.00 C ATOM 127 CD1 LEU A 9 -3.746 4.285 -9.363 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.616 4.413 -7.630 1.00 0.00 C ATOM 0 H LEU A 9 -3.940 1.200 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.677 1.898 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.310 1.592 -9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.816 2.409 -9.597 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.799 3.276 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.346 5.213 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.926 3.665 -9.725 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.420 4.514 -10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.172 5.341 -7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.376 4.641 -8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.075 3.883 -6.796 1.00 0.00 H new ATOM 140 N TYR A 10 -5.552 -0.920 -8.648 1.00 0.00 N ATOM 141 CA TYR A 10 -5.888 -2.223 -9.262 1.00 0.00 C ATOM 142 C TYR A 10 -4.969 -3.318 -8.670 1.00 0.00 C ATOM 143 O TYR A 10 -3.871 -2.999 -8.198 1.00 0.00 O ATOM 144 CB TYR A 10 -5.758 -2.141 -10.819 1.00 0.00 C ATOM 145 CG TYR A 10 -6.935 -1.417 -11.497 1.00 0.00 C ATOM 146 CD1 TYR A 10 -8.192 -2.027 -11.577 1.00 0.00 C ATOM 147 CD2 TYR A 10 -6.807 -0.129 -12.022 1.00 0.00 C ATOM 148 CE1 TYR A 10 -9.264 -1.384 -12.161 1.00 0.00 C ATOM 149 CE2 TYR A 10 -7.881 0.521 -12.603 1.00 0.00 C ATOM 150 CZ TYR A 10 -9.107 -0.112 -12.671 1.00 0.00 C ATOM 151 OH TYR A 10 -10.183 0.533 -13.242 1.00 0.00 O ATOM 0 H TYR A 10 -4.555 -0.817 -8.458 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.923 -2.481 -9.036 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.831 -1.626 -11.071 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.682 -3.151 -11.223 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.325 -3.020 -11.174 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.850 0.370 -11.973 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -10.224 -1.876 -12.219 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.762 1.518 -13.001 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.906 1.421 -13.551 1.00 0.00 H new ATOM 161 N PRO A 11 -5.395 -4.626 -8.674 1.00 0.00 N ATOM 162 CA PRO A 11 -4.628 -5.716 -8.027 1.00 0.00 C ATOM 163 C PRO A 11 -3.504 -6.262 -8.924 1.00 0.00 C ATOM 164 O PRO A 11 -3.449 -5.963 -10.123 1.00 0.00 O ATOM 165 CB PRO A 11 -5.721 -6.775 -7.782 1.00 0.00 C ATOM 166 CG PRO A 11 -6.642 -6.633 -8.957 1.00 0.00 C ATOM 167 CD PRO A 11 -6.631 -5.161 -9.324 1.00 0.00 C ATOM 0 HA PRO A 11 -4.108 -5.395 -7.124 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.298 -7.778 -7.727 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.244 -6.597 -6.842 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.305 -7.246 -9.793 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.649 -6.964 -8.705 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.604 -5.021 -10.405 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.524 -4.654 -8.959 1.00 0.00 H new ATOM 175 N PHE A 12 -2.602 -7.063 -8.331 1.00 0.00 N ATOM 176 CA PHE A 12 -1.558 -7.772 -9.088 1.00 0.00 C ATOM 177 C PHE A 12 -1.728 -9.285 -8.875 1.00 0.00 C ATOM 178 O PHE A 12 -1.308 -9.830 -7.857 1.00 0.00 O ATOM 179 CB PHE A 12 -0.140 -7.294 -8.657 1.00 0.00 C ATOM 180 CG PHE A 12 0.996 -7.934 -9.461 1.00 0.00 C ATOM 181 CD1 PHE A 12 1.255 -7.532 -10.772 1.00 0.00 C ATOM 182 CD2 PHE A 12 1.784 -8.950 -8.921 1.00 0.00 C ATOM 183 CE1 PHE A 12 2.268 -8.114 -11.511 1.00 0.00 C ATOM 184 CE2 PHE A 12 2.797 -9.528 -9.660 1.00 0.00 C ATOM 185 CZ PHE A 12 3.034 -9.115 -10.956 1.00 0.00 C ATOM 0 H PHE A 12 -2.576 -7.235 -7.326 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.661 -7.549 -10.150 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.083 -6.211 -8.764 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.004 -7.518 -7.600 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.654 -6.753 -11.217 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.600 -9.289 -7.912 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.458 -7.784 -12.522 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.406 -10.306 -9.223 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.820 -9.577 -11.535 1.00 0.00 H new ATOM 195 N SER A 13 -2.340 -9.953 -9.850 1.00 0.00 N ATOM 196 CA SER A 13 -2.609 -11.392 -9.788 1.00 0.00 C ATOM 197 C SER A 13 -1.533 -12.159 -10.571 1.00 0.00 C ATOM 198 O SER A 13 -1.695 -12.452 -11.765 1.00 0.00 O ATOM 199 CB SER A 13 -4.033 -11.677 -10.317 1.00 0.00 C ATOM 200 OG SER A 13 -4.993 -10.969 -9.566 1.00 0.00 O ATOM 0 H SER A 13 -2.666 -9.512 -10.710 1.00 0.00 H new ATOM 0 HA SER A 13 -2.566 -11.737 -8.755 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.101 -11.390 -11.366 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.239 -12.746 -10.265 1.00 0.00 H new ATOM 0 HG SER A 13 -5.888 -11.160 -9.916 1.00 0.00 H new ATOM 206 N GLY A 14 -0.405 -12.419 -9.891 1.00 0.00 N ATOM 207 CA GLY A 14 0.711 -13.141 -10.486 1.00 0.00 C ATOM 208 C GLY A 14 1.940 -13.167 -9.589 1.00 0.00 C ATOM 209 O GLY A 14 1.864 -12.856 -8.389 1.00 0.00 O ATOM 0 H GLY A 14 -0.250 -12.135 -8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.403 -14.164 -10.702 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.971 -12.679 -11.438 1.00 0.00 H new ATOM 213 N GLU A 15 3.076 -13.523 -10.202 1.00 0.00 N ATOM 214 CA GLU A 15 4.371 -13.687 -9.523 1.00 0.00 C ATOM 215 C GLU A 15 5.060 -12.326 -9.345 1.00 0.00 C ATOM 216 O GLU A 15 5.373 -11.650 -10.331 1.00 0.00 O ATOM 217 CB GLU A 15 5.259 -14.638 -10.368 1.00 0.00 C ATOM 218 CG GLU A 15 4.629 -16.022 -10.610 1.00 0.00 C ATOM 219 CD GLU A 15 5.328 -16.822 -11.717 1.00 0.00 C ATOM 220 OE1 GLU A 15 4.944 -16.673 -12.899 1.00 0.00 O ATOM 221 OE2 GLU A 15 6.260 -17.598 -11.420 1.00 0.00 O ATOM 0 H GLU A 15 3.123 -13.709 -11.204 1.00 0.00 H new ATOM 0 HA GLU A 15 4.214 -14.115 -8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.465 -14.169 -11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.217 -14.768 -9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.660 -16.595 -9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.579 -15.895 -10.871 1.00 0.00 H new ATOM 228 N ARG A 16 5.286 -11.931 -8.078 1.00 0.00 N ATOM 229 CA ARG A 16 5.954 -10.661 -7.719 1.00 0.00 C ATOM 230 C ARG A 16 7.386 -10.942 -7.218 1.00 0.00 C ATOM 231 O ARG A 16 7.939 -10.185 -6.408 1.00 0.00 O ATOM 232 CB ARG A 16 5.080 -9.901 -6.673 1.00 0.00 C ATOM 233 CG ARG A 16 4.908 -10.599 -5.294 1.00 0.00 C ATOM 234 CD ARG A 16 3.518 -10.357 -4.662 1.00 0.00 C ATOM 235 NE ARG A 16 2.471 -11.089 -5.413 1.00 0.00 N ATOM 236 CZ ARG A 16 1.224 -10.664 -5.661 1.00 0.00 C ATOM 237 NH1 ARG A 16 0.802 -9.474 -5.255 1.00 0.00 N ATOM 238 NH2 ARG A 16 0.399 -11.447 -6.328 1.00 0.00 N ATOM 0 H ARG A 16 5.009 -12.486 -7.268 1.00 0.00 H new ATOM 0 HA ARG A 16 6.051 -10.017 -8.593 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.519 -8.917 -6.508 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.091 -9.741 -7.103 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.065 -11.671 -5.414 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.678 -10.239 -4.612 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.523 -10.684 -3.622 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.294 -9.290 -4.660 1.00 0.00 H new ATOM 0 HE ARG A 16 2.724 -12.007 -5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.432 -8.858 -4.741 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.152 -9.175 -5.457 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.712 -12.363 -6.648 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.553 -11.136 -6.524 1.00 0.00 H new ATOM 252 N HIS A 17 7.969 -12.032 -7.768 1.00 0.00 N ATOM 253 CA HIS A 17 9.337 -12.512 -7.494 1.00 0.00 C ATOM 254 C HIS A 17 9.468 -13.035 -6.046 1.00 0.00 C ATOM 255 O HIS A 17 9.469 -14.253 -5.824 1.00 0.00 O ATOM 256 CB HIS A 17 10.414 -11.439 -7.828 1.00 0.00 C ATOM 257 CG HIS A 17 10.366 -10.943 -9.253 1.00 0.00 C ATOM 258 ND1 HIS A 17 9.785 -9.739 -9.568 1.00 0.00 N ATOM 259 CD2 HIS A 17 10.824 -11.521 -10.392 1.00 0.00 C ATOM 260 CE1 HIS A 17 9.897 -9.613 -10.878 1.00 0.00 C ATOM 261 NE2 HIS A 17 10.522 -10.667 -11.421 1.00 0.00 N ATOM 0 H HIS A 17 7.478 -12.622 -8.440 1.00 0.00 H new ATOM 0 HA HIS A 17 9.524 -13.353 -8.162 1.00 0.00 H new ATOM 0 HB2 HIS A 17 10.288 -10.591 -7.155 1.00 0.00 H new ATOM 0 HB3 HIS A 17 11.401 -11.857 -7.633 1.00 0.00 H new ATOM 0 HD2 HIS A 17 11.330 -12.472 -10.473 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.531 -8.767 -11.441 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.732 -10.807 -12.409 1.00 0.00 H new ATOM 269 N GLY A 18 9.544 -12.112 -5.069 1.00 0.00 N ATOM 270 CA GLY A 18 9.670 -12.469 -3.655 1.00 0.00 C ATOM 271 C GLY A 18 9.110 -11.391 -2.746 1.00 0.00 C ATOM 272 O GLY A 18 7.935 -11.459 -2.360 1.00 0.00 O ATOM 0 H GLY A 18 9.520 -11.107 -5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.147 -13.407 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.720 -12.636 -3.415 1.00 0.00 H new ATOM 276 N GLN A 19 9.947 -10.390 -2.412 1.00 0.00 N ATOM 277 CA GLN A 19 9.571 -9.291 -1.508 1.00 0.00 C ATOM 278 C GLN A 19 8.419 -8.461 -2.107 1.00 0.00 C ATOM 279 O GLN A 19 8.563 -7.869 -3.188 1.00 0.00 O ATOM 280 CB GLN A 19 10.786 -8.378 -1.217 1.00 0.00 C ATOM 281 CG GLN A 19 10.472 -7.199 -0.263 1.00 0.00 C ATOM 282 CD GLN A 19 11.628 -6.218 -0.106 1.00 0.00 C ATOM 283 OE1 GLN A 19 12.421 -6.029 -1.027 1.00 0.00 O ATOM 284 NE2 GLN A 19 11.726 -5.569 1.048 1.00 0.00 N ATOM 0 H GLN A 19 10.903 -10.322 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 19 9.233 -9.731 -0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.585 -8.980 -0.784 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.162 -7.980 -2.159 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.599 -6.663 -0.636 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.207 -7.596 0.717 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.052 -5.748 1.793 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.475 -4.891 1.190 1.00 0.00 H new ATOM 293 N GLY A 20 7.281 -8.447 -1.406 1.00 0.00 N ATOM 294 CA GLY A 20 6.122 -7.698 -1.845 1.00 0.00 C ATOM 295 C GLY A 20 4.909 -7.948 -0.975 1.00 0.00 C ATOM 296 O GLY A 20 5.020 -8.485 0.134 1.00 0.00 O ATOM 0 H GLY A 20 7.148 -8.951 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.357 -6.634 -1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.888 -7.967 -2.875 1.00 0.00 H new ATOM 300 N LEU A 21 3.746 -7.565 -1.499 1.00 0.00 N ATOM 301 CA LEU A 21 2.456 -7.701 -0.818 1.00 0.00 C ATOM 302 C LEU A 21 1.420 -8.198 -1.831 1.00 0.00 C ATOM 303 O LEU A 21 1.470 -7.830 -3.013 1.00 0.00 O ATOM 304 CB LEU A 21 2.027 -6.325 -0.224 1.00 0.00 C ATOM 305 CG LEU A 21 0.666 -6.280 0.554 1.00 0.00 C ATOM 306 CD1 LEU A 21 0.690 -7.199 1.797 1.00 0.00 C ATOM 307 CD2 LEU A 21 0.287 -4.826 0.936 1.00 0.00 C ATOM 0 H LEU A 21 3.671 -7.144 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 21 2.534 -8.416 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.814 -5.986 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.975 -5.605 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.106 -6.660 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.270 -7.142 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.874 -8.227 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.483 -6.877 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.661 -4.827 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.065 -4.402 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.190 -4.226 0.031 1.00 0.00 H new ATOM 319 N ARG A 22 0.517 -9.070 -1.369 1.00 0.00 N ATOM 320 CA ARG A 22 -0.671 -9.490 -2.130 1.00 0.00 C ATOM 321 C ARG A 22 -1.831 -8.563 -1.761 1.00 0.00 C ATOM 322 O ARG A 22 -2.074 -8.325 -0.573 1.00 0.00 O ATOM 323 CB ARG A 22 -1.016 -10.969 -1.834 1.00 0.00 C ATOM 324 CG ARG A 22 0.064 -11.967 -2.300 1.00 0.00 C ATOM 325 CD ARG A 22 -0.287 -13.427 -1.972 1.00 0.00 C ATOM 326 NE ARG A 22 0.753 -14.359 -2.442 1.00 0.00 N ATOM 327 CZ ARG A 22 0.957 -15.599 -1.979 1.00 0.00 C ATOM 328 NH1 ARG A 22 0.173 -16.114 -1.038 1.00 0.00 N ATOM 329 NH2 ARG A 22 1.955 -16.319 -2.464 1.00 0.00 N ATOM 0 H ARG A 22 0.588 -9.509 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.475 -9.417 -3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.169 -11.089 -0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.960 -11.216 -2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.205 -11.866 -3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.014 -11.713 -1.829 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.414 -13.537 -0.895 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.241 -13.684 -2.433 1.00 0.00 H new ATOM 0 HE ARG A 22 1.371 -14.031 -3.184 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.597 -15.563 -0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.341 -17.060 -0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.562 -15.929 -3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.118 -17.264 -2.117 1.00 0.00 H new ATOM 343 N PHE A 23 -2.526 -8.039 -2.777 1.00 0.00 N ATOM 344 CA PHE A 23 -3.543 -6.995 -2.601 1.00 0.00 C ATOM 345 C PHE A 23 -4.631 -7.057 -3.695 1.00 0.00 C ATOM 346 O PHE A 23 -4.353 -7.384 -4.853 1.00 0.00 O ATOM 347 CB PHE A 23 -2.862 -5.594 -2.574 1.00 0.00 C ATOM 348 CG PHE A 23 -2.015 -5.254 -3.811 1.00 0.00 C ATOM 349 CD1 PHE A 23 -0.669 -5.611 -3.878 1.00 0.00 C ATOM 350 CD2 PHE A 23 -2.565 -4.575 -4.899 1.00 0.00 C ATOM 351 CE1 PHE A 23 0.093 -5.302 -4.987 1.00 0.00 C ATOM 352 CE2 PHE A 23 -1.799 -4.268 -6.006 1.00 0.00 C ATOM 353 CZ PHE A 23 -0.470 -4.628 -6.048 1.00 0.00 C ATOM 0 H PHE A 23 -2.399 -8.327 -3.747 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.043 -7.169 -1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.635 -4.834 -2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.226 -5.534 -1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.216 -6.137 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.605 -4.285 -4.875 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.133 -5.590 -5.023 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.242 -3.745 -6.840 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.130 -4.382 -6.912 1.00 0.00 H new ATOM 363 N ALA A 24 -5.875 -6.759 -3.281 1.00 0.00 N ATOM 364 CA ALA A 24 -7.026 -6.504 -4.174 1.00 0.00 C ATOM 365 C ALA A 24 -7.073 -5.005 -4.558 1.00 0.00 C ATOM 366 O ALA A 24 -6.284 -4.212 -4.046 1.00 0.00 O ATOM 367 CB ALA A 24 -8.328 -6.939 -3.477 1.00 0.00 C ATOM 0 H ALA A 24 -6.117 -6.686 -2.293 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.915 -7.085 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.175 -6.750 -4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.279 -8.003 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.454 -6.372 -2.554 1.00 0.00 H new ATOM 373 N ALA A 25 -7.943 -4.628 -5.511 1.00 0.00 N ATOM 374 CA ALA A 25 -8.178 -3.200 -5.845 1.00 0.00 C ATOM 375 C ALA A 25 -8.959 -2.501 -4.710 1.00 0.00 C ATOM 376 O ALA A 25 -10.127 -2.825 -4.463 1.00 0.00 O ATOM 377 CB ALA A 25 -8.942 -3.064 -7.172 1.00 0.00 C ATOM 0 H ALA A 25 -8.495 -5.283 -6.064 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.207 -2.717 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.101 -2.009 -7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.362 -3.520 -7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.906 -3.567 -7.090 1.00 0.00 H new ATOM 383 N GLY A 26 -8.297 -1.564 -4.012 1.00 0.00 N ATOM 384 CA GLY A 26 -8.935 -0.728 -2.978 1.00 0.00 C ATOM 385 C GLY A 26 -8.426 -1.001 -1.570 1.00 0.00 C ATOM 386 O GLY A 26 -9.080 -0.616 -0.590 1.00 0.00 O ATOM 0 H GLY A 26 -7.306 -1.364 -4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.768 0.322 -3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.012 -0.893 -3.004 1.00 0.00 H new ATOM 390 N GLU A 27 -7.262 -1.657 -1.463 1.00 0.00 N ATOM 391 CA GLU A 27 -6.645 -1.972 -0.167 1.00 0.00 C ATOM 392 C GLU A 27 -6.132 -0.703 0.518 1.00 0.00 C ATOM 393 O GLU A 27 -5.351 0.063 -0.068 1.00 0.00 O ATOM 394 CB GLU A 27 -5.497 -2.999 -0.324 1.00 0.00 C ATOM 395 CG GLU A 27 -5.917 -4.332 -0.955 1.00 0.00 C ATOM 396 CD GLU A 27 -7.032 -5.081 -0.207 1.00 0.00 C ATOM 397 OE1 GLU A 27 -8.230 -4.844 -0.481 1.00 0.00 O ATOM 398 OE2 GLU A 27 -6.715 -5.926 0.649 1.00 0.00 O ATOM 0 H GLU A 27 -6.725 -1.982 -2.267 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.416 -2.418 0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.710 -2.555 -0.934 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.066 -3.196 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.247 -4.145 -1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.042 -4.980 -1.016 1.00 0.00 H new ATOM 405 N LEU A 28 -6.589 -0.496 1.759 1.00 0.00 N ATOM 406 CA LEU A 28 -6.218 0.660 2.578 1.00 0.00 C ATOM 407 C LEU A 28 -4.903 0.350 3.306 1.00 0.00 C ATOM 408 O LEU A 28 -4.884 -0.412 4.280 1.00 0.00 O ATOM 409 CB LEU A 28 -7.363 0.969 3.578 1.00 0.00 C ATOM 410 CG LEU A 28 -8.770 1.192 2.927 1.00 0.00 C ATOM 411 CD1 LEU A 28 -9.873 1.334 3.990 1.00 0.00 C ATOM 412 CD2 LEU A 28 -8.759 2.401 1.966 1.00 0.00 C ATOM 0 H LEU A 28 -7.233 -1.134 2.226 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.068 1.542 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.435 0.146 4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.097 1.860 4.147 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.999 0.303 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.834 1.487 3.499 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.915 0.428 4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.653 2.188 4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.750 2.529 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.486 3.301 2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.033 2.228 1.171 1.00 0.00 H new ATOM 424 N ILE A 29 -3.804 0.907 2.780 1.00 0.00 N ATOM 425 CA ILE A 29 -2.446 0.749 3.333 1.00 0.00 C ATOM 426 C ILE A 29 -2.056 2.063 4.027 1.00 0.00 C ATOM 427 O ILE A 29 -2.359 3.126 3.508 1.00 0.00 O ATOM 428 CB ILE A 29 -1.384 0.439 2.192 1.00 0.00 C ATOM 429 CG1 ILE A 29 -1.918 -0.609 1.156 1.00 0.00 C ATOM 430 CG2 ILE A 29 -0.043 -0.026 2.814 1.00 0.00 C ATOM 431 CD1 ILE A 29 -2.211 -1.985 1.719 1.00 0.00 C ATOM 0 H ILE A 29 -3.831 1.491 1.944 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.447 -0.087 4.032 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.212 1.365 1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.830 -0.217 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.185 -0.710 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.674 -0.234 2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.350 0.759 3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.208 -0.930 3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.575 -2.634 0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.299 -2.406 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.970 -1.906 2.497 1.00 0.00 H new ATOM 443 N THR A 30 -1.383 2.001 5.180 1.00 0.00 N ATOM 444 CA THR A 30 -0.930 3.214 5.889 1.00 0.00 C ATOM 445 C THR A 30 0.605 3.276 5.882 1.00 0.00 C ATOM 446 O THR A 30 1.259 2.368 6.404 1.00 0.00 O ATOM 447 CB THR A 30 -1.471 3.237 7.353 1.00 0.00 C ATOM 448 OG1 THR A 30 -2.890 3.018 7.329 1.00 0.00 O ATOM 449 CG2 THR A 30 -1.172 4.577 8.056 1.00 0.00 C ATOM 0 H THR A 30 -1.137 1.128 5.646 1.00 0.00 H new ATOM 0 HA THR A 30 -1.325 4.089 5.372 1.00 0.00 H new ATOM 0 HB THR A 30 -0.968 2.449 7.913 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.238 3.029 8.245 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.565 4.550 9.072 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.095 4.739 8.088 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.645 5.390 7.505 1.00 0.00 H new ATOM 457 N LEU A 31 1.162 4.345 5.269 1.00 0.00 N ATOM 458 CA LEU A 31 2.618 4.584 5.224 1.00 0.00 C ATOM 459 C LEU A 31 3.197 4.691 6.643 1.00 0.00 C ATOM 460 O LEU A 31 2.775 5.539 7.438 1.00 0.00 O ATOM 461 CB LEU A 31 2.962 5.861 4.400 1.00 0.00 C ATOM 462 CG LEU A 31 2.811 5.731 2.850 1.00 0.00 C ATOM 463 CD1 LEU A 31 3.025 7.092 2.146 1.00 0.00 C ATOM 464 CD2 LEU A 31 3.776 4.652 2.289 1.00 0.00 C ATOM 0 H LEU A 31 0.615 5.063 4.794 1.00 0.00 H new ATOM 0 HA LEU A 31 3.075 3.730 4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.322 6.674 4.742 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.989 6.149 4.623 1.00 0.00 H new ATOM 0 HG LEU A 31 1.790 5.412 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.913 6.966 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.287 7.808 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.026 7.462 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.652 4.580 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.805 4.929 2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.549 3.688 2.745 1.00 0.00 H new ATOM 476 N LEU A 32 4.157 3.804 6.940 1.00 0.00 N ATOM 477 CA LEU A 32 4.850 3.769 8.225 1.00 0.00 C ATOM 478 C LEU A 32 5.848 4.921 8.283 1.00 0.00 C ATOM 479 O LEU A 32 5.896 5.674 9.259 1.00 0.00 O ATOM 480 CB LEU A 32 5.575 2.406 8.393 1.00 0.00 C ATOM 481 CG LEU A 32 4.656 1.146 8.329 1.00 0.00 C ATOM 482 CD1 LEU A 32 5.463 -0.155 8.536 1.00 0.00 C ATOM 483 CD2 LEU A 32 3.487 1.263 9.336 1.00 0.00 C ATOM 0 H LEU A 32 4.473 3.087 6.287 1.00 0.00 H new ATOM 0 HA LEU A 32 4.133 3.878 9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.335 2.320 7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.096 2.406 9.350 1.00 0.00 H new ATOM 0 HG LEU A 32 4.225 1.097 7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.791 -1.012 8.485 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.221 -0.241 7.757 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.948 -0.131 9.512 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.861 0.373 9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.885 1.355 10.347 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.890 2.144 9.100 1.00 0.00 H new ATOM 495 N GLN A 33 6.611 5.068 7.189 1.00 0.00 N ATOM 496 CA GLN A 33 7.599 6.132 7.029 1.00 0.00 C ATOM 497 C GLN A 33 7.836 6.406 5.538 1.00 0.00 C ATOM 498 O GLN A 33 7.436 5.611 4.669 1.00 0.00 O ATOM 499 CB GLN A 33 8.930 5.754 7.742 1.00 0.00 C ATOM 500 CG GLN A 33 9.609 4.472 7.210 1.00 0.00 C ATOM 501 CD GLN A 33 10.981 4.166 7.832 1.00 0.00 C ATOM 502 OE1 GLN A 33 11.752 5.196 8.155 1.00 0.00 O flip ATOM 503 NE2 GLN A 33 11.361 3.000 7.982 1.00 0.00 N flip ATOM 0 H GLN A 33 6.554 4.442 6.386 1.00 0.00 H new ATOM 0 HA GLN A 33 7.217 7.041 7.493 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.628 6.586 7.643 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.733 5.629 8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.947 3.625 7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.727 4.561 6.130 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.747 2.227 7.725 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.288 2.811 8.363 1.00 0.00 H new ATOM 512 N VAL A 34 8.491 7.543 5.254 1.00 0.00 N ATOM 513 CA VAL A 34 8.870 7.958 3.896 1.00 0.00 C ATOM 514 C VAL A 34 10.416 8.119 3.827 1.00 0.00 C ATOM 515 O VAL A 34 10.950 9.221 3.981 1.00 0.00 O ATOM 516 CB VAL A 34 8.086 9.266 3.447 1.00 0.00 C ATOM 517 CG1 VAL A 34 6.586 8.951 3.203 1.00 0.00 C ATOM 518 CG2 VAL A 34 8.227 10.428 4.472 1.00 0.00 C ATOM 0 H VAL A 34 8.776 8.209 5.972 1.00 0.00 H new ATOM 0 HA VAL A 34 8.580 7.188 3.182 1.00 0.00 H new ATOM 0 HB VAL A 34 8.541 9.598 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 34 6.068 9.860 2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.495 8.200 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.140 8.572 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.673 11.296 4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.828 10.113 5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.279 10.690 4.583 1.00 0.00 H new ATOM 528 N PRO A 35 11.179 6.986 3.647 1.00 0.00 N ATOM 529 CA PRO A 35 12.664 7.001 3.726 1.00 0.00 C ATOM 530 C PRO A 35 13.363 7.436 2.412 1.00 0.00 C ATOM 531 O PRO A 35 14.514 7.884 2.442 1.00 0.00 O ATOM 532 CB PRO A 35 12.982 5.527 4.067 1.00 0.00 C ATOM 533 CG PRO A 35 11.929 4.749 3.323 1.00 0.00 C ATOM 534 CD PRO A 35 10.668 5.605 3.369 1.00 0.00 C ATOM 0 HA PRO A 35 13.029 7.729 4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.986 5.250 3.745 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.930 5.345 5.140 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.236 4.561 2.294 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.759 3.778 3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.122 5.563 2.426 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.984 5.268 4.148 1.00 0.00 H new ATOM 542 N ASP A 36 12.651 7.315 1.274 1.00 0.00 N ATOM 543 CA ASP A 36 13.244 7.448 -0.073 1.00 0.00 C ATOM 544 C ASP A 36 12.176 7.866 -1.096 1.00 0.00 C ATOM 545 O ASP A 36 11.036 7.397 -1.031 1.00 0.00 O ATOM 546 CB ASP A 36 13.887 6.092 -0.486 1.00 0.00 C ATOM 547 CG ASP A 36 14.463 6.062 -1.915 1.00 0.00 C ATOM 548 OD1 ASP A 36 15.602 6.529 -2.119 1.00 0.00 O ATOM 549 OD2 ASP A 36 13.782 5.561 -2.842 1.00 0.00 O ATOM 0 H ASP A 36 11.649 7.122 1.262 1.00 0.00 H new ATOM 0 HA ASP A 36 14.011 8.222 -0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.685 5.854 0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.137 5.307 -0.395 1.00 0.00 H new ATOM 554 N GLY A 37 12.575 8.722 -2.057 1.00 0.00 N ATOM 555 CA GLY A 37 11.682 9.202 -3.115 1.00 0.00 C ATOM 556 C GLY A 37 11.662 8.278 -4.331 1.00 0.00 C ATOM 557 O GLY A 37 12.022 8.687 -5.442 1.00 0.00 O ATOM 0 H GLY A 37 13.522 9.095 -2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.671 9.295 -2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.996 10.199 -3.426 1.00 0.00 H new ATOM 561 N GLY A 38 11.239 7.025 -4.105 1.00 0.00 N ATOM 562 CA GLY A 38 11.157 6.010 -5.158 1.00 0.00 C ATOM 563 C GLY A 38 10.451 4.778 -4.639 1.00 0.00 C ATOM 564 O GLY A 38 9.471 4.306 -5.224 1.00 0.00 O ATOM 0 H GLY A 38 10.945 6.690 -3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.621 6.410 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 38 12.158 5.748 -5.500 1.00 0.00 H new ATOM 568 N TRP A 39 10.959 4.268 -3.512 1.00 0.00 N ATOM 569 CA TRP A 39 10.310 3.203 -2.732 1.00 0.00 C ATOM 570 C TRP A 39 9.999 3.742 -1.333 1.00 0.00 C ATOM 571 O TRP A 39 10.865 4.313 -0.667 1.00 0.00 O ATOM 572 CB TRP A 39 11.212 1.936 -2.636 1.00 0.00 C ATOM 573 CG TRP A 39 11.257 1.101 -3.902 1.00 0.00 C ATOM 574 CD1 TRP A 39 11.955 1.357 -5.050 1.00 0.00 C ATOM 575 CD2 TRP A 39 10.569 -0.141 -4.126 1.00 0.00 C ATOM 576 NE1 TRP A 39 11.740 0.359 -5.966 1.00 0.00 N ATOM 577 CE2 TRP A 39 10.895 -0.571 -5.425 1.00 0.00 C ATOM 578 CE3 TRP A 39 9.709 -0.933 -3.347 1.00 0.00 C ATOM 579 CZ2 TRP A 39 10.394 -1.754 -5.966 1.00 0.00 C ATOM 580 CZ3 TRP A 39 9.212 -2.105 -3.887 1.00 0.00 C ATOM 581 CH2 TRP A 39 9.554 -2.506 -5.186 1.00 0.00 C ATOM 0 H TRP A 39 11.841 4.585 -3.110 1.00 0.00 H new ATOM 0 HA TRP A 39 9.389 2.907 -3.234 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.226 2.245 -2.383 1.00 0.00 H new ATOM 0 HB3 TRP A 39 10.855 1.312 -1.816 1.00 0.00 H new ATOM 0 HD1 TRP A 39 12.584 2.220 -5.212 1.00 0.00 H new ATOM 0 HE1 TRP A 39 12.145 0.317 -6.901 1.00 0.00 H new ATOM 0 HE3 TRP A 39 9.441 -0.632 -2.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 10.658 -2.067 -6.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 8.549 -2.722 -3.298 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.148 -3.426 -5.580 1.00 0.00 H new ATOM 592 N TRP A 40 8.743 3.587 -0.924 1.00 0.00 N ATOM 593 CA TRP A 40 8.276 3.878 0.441 1.00 0.00 C ATOM 594 C TRP A 40 7.736 2.561 1.015 1.00 0.00 C ATOM 595 O TRP A 40 7.607 1.582 0.270 1.00 0.00 O ATOM 596 CB TRP A 40 7.169 4.961 0.410 1.00 0.00 C ATOM 597 CG TRP A 40 7.571 6.249 -0.284 1.00 0.00 C ATOM 598 CD1 TRP A 40 8.073 7.369 0.302 1.00 0.00 C ATOM 599 CD2 TRP A 40 7.504 6.545 -1.695 1.00 0.00 C ATOM 600 NE1 TRP A 40 8.291 8.338 -0.634 1.00 0.00 N ATOM 601 CE2 TRP A 40 7.962 7.856 -1.866 1.00 0.00 C ATOM 602 CE3 TRP A 40 7.103 5.827 -2.823 1.00 0.00 C ATOM 603 CZ2 TRP A 40 8.024 8.468 -3.115 1.00 0.00 C ATOM 604 CZ3 TRP A 40 7.161 6.429 -4.056 1.00 0.00 C ATOM 605 CH2 TRP A 40 7.622 7.739 -4.198 1.00 0.00 C ATOM 0 H TRP A 40 8.002 3.250 -1.539 1.00 0.00 H new ATOM 0 HA TRP A 40 9.086 4.263 1.061 1.00 0.00 H new ATOM 0 HB2 TRP A 40 6.291 4.552 -0.090 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.874 5.191 1.434 1.00 0.00 H new ATOM 0 HD1 TRP A 40 8.271 7.476 1.358 1.00 0.00 H new ATOM 0 HE1 TRP A 40 8.644 9.275 -0.442 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.751 4.810 -2.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 8.377 9.483 -3.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.845 5.880 -4.930 1.00 0.00 H new ATOM 0 HH2 TRP A 40 7.662 8.184 -5.181 1.00 0.00 H new ATOM 616 N GLU A 41 7.425 2.516 2.322 1.00 0.00 N ATOM 617 CA GLU A 41 6.839 1.305 2.944 1.00 0.00 C ATOM 618 C GLU A 41 5.628 1.660 3.810 1.00 0.00 C ATOM 619 O GLU A 41 5.668 2.606 4.612 1.00 0.00 O ATOM 620 CB GLU A 41 7.875 0.505 3.783 1.00 0.00 C ATOM 621 CG GLU A 41 9.041 -0.082 2.961 1.00 0.00 C ATOM 622 CD GLU A 41 9.894 -1.088 3.746 1.00 0.00 C ATOM 623 OE1 GLU A 41 10.697 -0.664 4.609 1.00 0.00 O ATOM 624 OE2 GLU A 41 9.754 -2.312 3.522 1.00 0.00 O ATOM 0 H GLU A 41 7.566 3.294 2.967 1.00 0.00 H new ATOM 0 HA GLU A 41 6.515 0.665 2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.283 1.159 4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.360 -0.309 4.294 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.640 -0.571 2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.678 0.732 2.616 1.00 0.00 H new ATOM 631 N GLY A 42 4.556 0.885 3.613 1.00 0.00 N ATOM 632 CA GLY A 42 3.343 0.952 4.411 1.00 0.00 C ATOM 633 C GLY A 42 2.965 -0.420 4.933 1.00 0.00 C ATOM 634 O GLY A 42 3.515 -1.436 4.480 1.00 0.00 O ATOM 0 H GLY A 42 4.514 0.181 2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.490 1.636 5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.528 1.354 3.809 1.00 0.00 H new ATOM 638 N GLU A 43 2.012 -0.462 5.872 1.00 0.00 N ATOM 639 CA GLU A 43 1.556 -1.710 6.500 1.00 0.00 C ATOM 640 C GLU A 43 0.038 -1.836 6.360 1.00 0.00 C ATOM 641 O GLU A 43 -0.671 -0.829 6.265 1.00 0.00 O ATOM 642 CB GLU A 43 1.991 -1.741 7.989 1.00 0.00 C ATOM 643 CG GLU A 43 1.773 -3.082 8.720 1.00 0.00 C ATOM 644 CD GLU A 43 2.456 -3.134 10.099 1.00 0.00 C ATOM 645 OE1 GLU A 43 3.707 -3.183 10.142 1.00 0.00 O ATOM 646 OE2 GLU A 43 1.762 -3.107 11.140 1.00 0.00 O ATOM 0 H GLU A 43 1.534 0.370 6.219 1.00 0.00 H new ATOM 0 HA GLU A 43 2.014 -2.562 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.049 -1.485 8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.446 -0.963 8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.704 -3.252 8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.155 -3.893 8.101 1.00 0.00 H new ATOM 653 N LYS A 44 -0.427 -3.089 6.320 1.00 0.00 N ATOM 654 CA LYS A 44 -1.855 -3.445 6.263 1.00 0.00 C ATOM 655 C LYS A 44 -2.424 -3.600 7.689 1.00 0.00 C ATOM 656 O LYS A 44 -1.671 -3.776 8.652 1.00 0.00 O ATOM 657 CB LYS A 44 -2.040 -4.781 5.452 1.00 0.00 C ATOM 658 CG LYS A 44 -2.902 -4.655 4.175 1.00 0.00 C ATOM 659 CD LYS A 44 -4.270 -3.974 4.438 1.00 0.00 C ATOM 660 CE LYS A 44 -5.278 -4.244 3.320 1.00 0.00 C ATOM 661 NZ LYS A 44 -5.632 -5.685 3.240 1.00 0.00 N ATOM 0 H LYS A 44 0.188 -3.903 6.326 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.400 -2.647 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.056 -5.158 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.493 -5.526 6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.354 -4.082 3.427 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.070 -5.647 3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.676 -4.332 5.384 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.124 -2.899 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.180 -3.656 3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.862 -3.917 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.456 -6.033 2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.050 -6.223 3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.638 -5.809 3.475 1.00 0.00 H new ATOM 675 N GLU A 45 -3.766 -3.574 7.796 1.00 0.00 N ATOM 676 CA GLU A 45 -4.498 -3.906 9.040 1.00 0.00 C ATOM 677 C GLU A 45 -4.277 -5.376 9.442 1.00 0.00 C ATOM 678 O GLU A 45 -4.400 -5.736 10.617 1.00 0.00 O ATOM 679 CB GLU A 45 -6.009 -3.627 8.834 1.00 0.00 C ATOM 680 CG GLU A 45 -6.354 -2.140 8.630 1.00 0.00 C ATOM 681 CD GLU A 45 -6.002 -1.279 9.857 1.00 0.00 C ATOM 682 OE1 GLU A 45 -6.707 -1.379 10.881 1.00 0.00 O ATOM 683 OE2 GLU A 45 -5.027 -0.501 9.805 1.00 0.00 O ATOM 0 H GLU A 45 -4.378 -3.321 7.020 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.116 -3.282 9.847 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.357 -4.191 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.557 -4.000 9.699 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.818 -1.762 7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.418 -2.043 8.416 1.00 0.00 H new ATOM 690 N ASP A 46 -3.948 -6.209 8.435 1.00 0.00 N ATOM 691 CA ASP A 46 -3.587 -7.633 8.613 1.00 0.00 C ATOM 692 C ASP A 46 -2.336 -7.797 9.498 1.00 0.00 C ATOM 693 O ASP A 46 -2.118 -8.854 10.100 1.00 0.00 O ATOM 694 CB ASP A 46 -3.333 -8.280 7.225 1.00 0.00 C ATOM 695 CG ASP A 46 -4.548 -8.195 6.284 1.00 0.00 C ATOM 696 OD1 ASP A 46 -4.822 -7.099 5.744 1.00 0.00 O ATOM 697 OD2 ASP A 46 -5.240 -9.213 6.074 1.00 0.00 O ATOM 0 H ASP A 46 -3.925 -5.909 7.460 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.417 -8.132 9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.481 -7.790 6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.062 -9.327 7.364 1.00 0.00 H new ATOM 702 N GLY A 47 -1.520 -6.733 9.552 1.00 0.00 N ATOM 703 CA GLY A 47 -0.297 -6.702 10.351 1.00 0.00 C ATOM 704 C GLY A 47 0.950 -6.852 9.494 1.00 0.00 C ATOM 705 O GLY A 47 2.043 -6.476 9.917 1.00 0.00 O ATOM 0 H GLY A 47 -1.695 -5.869 9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.248 -5.762 10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.327 -7.503 11.090 1.00 0.00 H new ATOM 709 N LEU A 48 0.783 -7.415 8.286 1.00 0.00 N ATOM 710 CA LEU A 48 1.884 -7.604 7.324 1.00 0.00 C ATOM 711 C LEU A 48 2.150 -6.293 6.585 1.00 0.00 C ATOM 712 O LEU A 48 1.210 -5.631 6.129 1.00 0.00 O ATOM 713 CB LEU A 48 1.557 -8.737 6.300 1.00 0.00 C ATOM 714 CG LEU A 48 1.488 -10.195 6.856 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.748 -10.541 7.672 1.00 0.00 C ATOM 716 CD2 LEU A 48 0.190 -10.451 7.658 1.00 0.00 C ATOM 0 H LEU A 48 -0.118 -7.752 7.948 1.00 0.00 H new ATOM 0 HA LEU A 48 2.775 -7.901 7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.599 -8.506 5.834 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.310 -8.710 5.512 1.00 0.00 H new ATOM 0 HG LEU A 48 1.459 -10.868 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.670 -11.562 8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.629 -10.453 7.036 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.837 -9.853 8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.186 -11.477 8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.142 -9.763 8.502 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.674 -10.293 7.012 1.00 0.00 H new ATOM 728 N ARG A 49 3.432 -5.924 6.481 1.00 0.00 N ATOM 729 CA ARG A 49 3.854 -4.721 5.758 1.00 0.00 C ATOM 730 C ARG A 49 4.498 -5.106 4.422 1.00 0.00 C ATOM 731 O ARG A 49 5.123 -6.166 4.290 1.00 0.00 O ATOM 732 CB ARG A 49 4.829 -3.860 6.611 1.00 0.00 C ATOM 733 CG ARG A 49 6.212 -4.486 6.872 1.00 0.00 C ATOM 734 CD ARG A 49 7.106 -3.577 7.729 1.00 0.00 C ATOM 735 NE ARG A 49 8.479 -4.098 7.822 1.00 0.00 N ATOM 736 CZ ARG A 49 9.561 -3.529 7.269 1.00 0.00 C ATOM 737 NH1 ARG A 49 9.457 -2.408 6.566 1.00 0.00 N ATOM 738 NH2 ARG A 49 10.742 -4.094 7.413 1.00 0.00 N ATOM 0 H ARG A 49 4.203 -6.449 6.894 1.00 0.00 H new ATOM 0 HA ARG A 49 2.969 -4.116 5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.972 -2.902 6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.357 -3.652 7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.086 -5.446 7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.705 -4.685 5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.125 -2.575 7.300 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.682 -3.487 8.729 1.00 0.00 H new ATOM 0 HE ARG A 49 8.619 -4.960 8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.546 -1.968 6.440 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.288 -1.987 6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.831 -4.961 7.943 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.567 -3.665 6.994 1.00 0.00 H new ATOM 752 N GLY A 50 4.299 -4.235 3.445 1.00 0.00 N ATOM 753 CA GLY A 50 4.904 -4.348 2.132 1.00 0.00 C ATOM 754 C GLY A 50 4.331 -3.281 1.238 1.00 0.00 C ATOM 755 O GLY A 50 3.166 -2.886 1.418 1.00 0.00 O ATOM 0 H GLY A 50 3.701 -3.415 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.986 -4.238 2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.712 -5.335 1.712 1.00 0.00 H new ATOM 759 N TRP A 51 5.118 -2.820 0.267 1.00 0.00 N ATOM 760 CA TRP A 51 4.727 -1.687 -0.571 1.00 0.00 C ATOM 761 C TRP A 51 5.463 -1.722 -1.916 1.00 0.00 C ATOM 762 O TRP A 51 6.381 -2.524 -2.135 1.00 0.00 O ATOM 763 CB TRP A 51 4.966 -0.348 0.207 1.00 0.00 C ATOM 764 CG TRP A 51 3.848 0.657 0.061 1.00 0.00 C ATOM 765 CD1 TRP A 51 2.590 0.544 0.568 1.00 0.00 C ATOM 766 CD2 TRP A 51 3.889 1.907 -0.619 1.00 0.00 C ATOM 767 NE1 TRP A 51 1.849 1.647 0.248 1.00 0.00 N ATOM 768 CE2 TRP A 51 2.622 2.495 -0.487 1.00 0.00 C ATOM 769 CE3 TRP A 51 4.870 2.585 -1.325 1.00 0.00 C ATOM 770 CZ2 TRP A 51 2.318 3.725 -1.042 1.00 0.00 C ATOM 771 CZ3 TRP A 51 4.560 3.803 -1.878 1.00 0.00 C ATOM 772 CH2 TRP A 51 3.299 4.368 -1.734 1.00 0.00 C ATOM 0 H TRP A 51 6.031 -3.214 0.041 1.00 0.00 H new ATOM 0 HA TRP A 51 3.663 -1.754 -0.799 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.101 -0.574 1.265 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.894 0.103 -0.144 1.00 0.00 H new ATOM 0 HD1 TRP A 51 2.229 -0.297 1.141 1.00 0.00 H new ATOM 0 HE1 TRP A 51 0.878 1.809 0.515 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.858 2.164 -1.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 1.336 4.161 -0.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 5.315 4.335 -2.438 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.094 5.331 -2.177 1.00 0.00 H new ATOM 783 N PHE A 52 5.033 -0.823 -2.804 1.00 0.00 N ATOM 784 CA PHE A 52 5.477 -0.733 -4.210 1.00 0.00 C ATOM 785 C PHE A 52 5.456 0.751 -4.617 1.00 0.00 C ATOM 786 O PHE A 52 4.621 1.480 -4.083 1.00 0.00 O ATOM 787 CB PHE A 52 4.535 -1.553 -5.154 1.00 0.00 C ATOM 788 CG PHE A 52 4.530 -3.064 -4.914 1.00 0.00 C ATOM 789 CD1 PHE A 52 5.549 -3.875 -5.416 1.00 0.00 C ATOM 790 CD2 PHE A 52 3.508 -3.670 -4.178 1.00 0.00 C ATOM 791 CE1 PHE A 52 5.542 -5.241 -5.193 1.00 0.00 C ATOM 792 CE2 PHE A 52 3.506 -5.032 -3.957 1.00 0.00 C ATOM 793 CZ PHE A 52 4.522 -5.817 -4.467 1.00 0.00 C ATOM 0 H PHE A 52 4.343 -0.111 -2.563 1.00 0.00 H new ATOM 0 HA PHE A 52 6.480 -1.149 -4.302 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.517 -1.179 -5.040 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.829 -1.366 -6.187 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.352 -3.431 -5.985 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.709 -3.064 -3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.337 -5.856 -5.588 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.710 -5.485 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.517 -6.883 -4.297 1.00 0.00 H new ATOM 803 N PRO A 53 6.347 1.215 -5.576 1.00 0.00 N ATOM 804 CA PRO A 53 6.414 2.639 -6.029 1.00 0.00 C ATOM 805 C PRO A 53 5.025 3.290 -6.242 1.00 0.00 C ATOM 806 O PRO A 53 4.072 2.607 -6.641 1.00 0.00 O ATOM 807 CB PRO A 53 7.190 2.533 -7.363 1.00 0.00 C ATOM 808 CG PRO A 53 8.123 1.387 -7.151 1.00 0.00 C ATOM 809 CD PRO A 53 7.357 0.389 -6.298 1.00 0.00 C ATOM 0 HA PRO A 53 6.884 3.281 -5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.518 2.350 -8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.732 3.453 -7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.421 0.943 -8.101 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.035 1.712 -6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.880 -0.375 -6.912 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.018 -0.128 -5.602 1.00 0.00 H new ATOM 817 N ALA A 54 4.943 4.611 -5.987 1.00 0.00 N ATOM 818 CA ALA A 54 3.668 5.369 -5.960 1.00 0.00 C ATOM 819 C ALA A 54 2.875 5.264 -7.284 1.00 0.00 C ATOM 820 O ALA A 54 1.662 5.450 -7.294 1.00 0.00 O ATOM 821 CB ALA A 54 3.928 6.845 -5.600 1.00 0.00 C ATOM 0 H ALA A 54 5.761 5.188 -5.793 1.00 0.00 H new ATOM 0 HA ALA A 54 3.047 4.913 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.983 7.388 -5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.396 6.903 -4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.589 7.290 -6.344 1.00 0.00 H new ATOM 827 N SER A 55 3.583 4.936 -8.384 1.00 0.00 N ATOM 828 CA SER A 55 2.994 4.730 -9.724 1.00 0.00 C ATOM 829 C SER A 55 1.914 3.610 -9.742 1.00 0.00 C ATOM 830 O SER A 55 0.996 3.642 -10.567 1.00 0.00 O ATOM 831 CB SER A 55 4.118 4.391 -10.721 1.00 0.00 C ATOM 832 OG SER A 55 5.147 5.364 -10.678 1.00 0.00 O ATOM 0 H SER A 55 4.594 4.805 -8.367 1.00 0.00 H new ATOM 0 HA SER A 55 2.493 5.655 -10.010 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.531 3.409 -10.488 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.709 4.334 -11.730 1.00 0.00 H new ATOM 0 HG SER A 55 5.850 5.126 -11.318 1.00 0.00 H new ATOM 838 N TYR A 56 2.049 2.630 -8.832 1.00 0.00 N ATOM 839 CA TYR A 56 1.100 1.505 -8.691 1.00 0.00 C ATOM 840 C TYR A 56 -0.160 1.915 -7.903 1.00 0.00 C ATOM 841 O TYR A 56 -1.241 1.360 -8.114 1.00 0.00 O ATOM 842 CB TYR A 56 1.787 0.311 -7.973 1.00 0.00 C ATOM 843 CG TYR A 56 2.914 -0.371 -8.777 1.00 0.00 C ATOM 844 CD1 TYR A 56 2.626 -1.378 -9.701 1.00 0.00 C ATOM 845 CD2 TYR A 56 4.257 -0.025 -8.601 1.00 0.00 C ATOM 846 CE1 TYR A 56 3.626 -2.010 -10.415 1.00 0.00 C ATOM 847 CE2 TYR A 56 5.261 -0.659 -9.310 1.00 0.00 C ATOM 848 CZ TYR A 56 4.938 -1.650 -10.217 1.00 0.00 C ATOM 849 OH TYR A 56 5.934 -2.290 -10.920 1.00 0.00 O ATOM 0 H TYR A 56 2.823 2.593 -8.169 1.00 0.00 H new ATOM 0 HA TYR A 56 0.795 1.210 -9.695 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.198 0.663 -7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.029 -0.435 -7.734 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.598 -1.669 -9.861 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.516 0.753 -7.898 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.378 -2.784 -11.126 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.293 -0.381 -9.155 1.00 0.00 H new ATOM 0 HH TYR A 56 6.804 -1.918 -10.666 1.00 0.00 H new ATOM 859 N VAL A 57 -0.012 2.880 -6.983 1.00 0.00 N ATOM 860 CA VAL A 57 -1.038 3.190 -5.957 1.00 0.00 C ATOM 861 C VAL A 57 -1.478 4.677 -6.003 1.00 0.00 C ATOM 862 O VAL A 57 -1.121 5.427 -6.921 1.00 0.00 O ATOM 863 CB VAL A 57 -0.477 2.834 -4.522 1.00 0.00 C ATOM 864 CG1 VAL A 57 -0.267 1.306 -4.349 1.00 0.00 C ATOM 865 CG2 VAL A 57 0.834 3.608 -4.242 1.00 0.00 C ATOM 0 H VAL A 57 0.818 3.470 -6.923 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.918 2.585 -6.172 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.224 3.143 -3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.119 1.103 -3.350 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.218 0.791 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.446 0.950 -5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.204 3.350 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.581 3.341 -4.989 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.641 4.680 -4.289 1.00 0.00 H new ATOM 875 N GLN A 58 -2.273 5.067 -4.996 1.00 0.00 N ATOM 876 CA GLN A 58 -2.715 6.449 -4.757 1.00 0.00 C ATOM 877 C GLN A 58 -2.235 6.883 -3.362 1.00 0.00 C ATOM 878 O GLN A 58 -2.277 6.086 -2.426 1.00 0.00 O ATOM 879 CB GLN A 58 -4.270 6.534 -4.839 1.00 0.00 C ATOM 880 CG GLN A 58 -4.888 7.927 -4.558 1.00 0.00 C ATOM 881 CD GLN A 58 -4.640 8.983 -5.648 1.00 0.00 C ATOM 882 OE1 GLN A 58 -3.649 8.956 -6.381 1.00 0.00 O ATOM 883 NE2 GLN A 58 -5.537 9.955 -5.735 1.00 0.00 N ATOM 0 H GLN A 58 -2.637 4.411 -4.305 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.294 7.110 -5.515 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.580 6.215 -5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.691 5.821 -4.130 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.964 7.810 -4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.489 8.300 -3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.349 9.956 -5.118 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.415 10.702 -6.419 1.00 0.00 H new ATOM 892 N LEU A 59 -1.772 8.138 -3.239 1.00 0.00 N ATOM 893 CA LEU A 59 -1.349 8.725 -1.956 1.00 0.00 C ATOM 894 C LEU A 59 -2.424 9.696 -1.454 1.00 0.00 C ATOM 895 O LEU A 59 -2.749 10.673 -2.134 1.00 0.00 O ATOM 896 CB LEU A 59 0.008 9.460 -2.125 1.00 0.00 C ATOM 897 CG LEU A 59 1.222 8.562 -2.526 1.00 0.00 C ATOM 898 CD1 LEU A 59 2.487 9.404 -2.777 1.00 0.00 C ATOM 899 CD2 LEU A 59 1.485 7.470 -1.466 1.00 0.00 C ATOM 0 H LEU A 59 -1.680 8.776 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.221 7.929 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.112 10.235 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.246 9.963 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 59 0.965 8.065 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.312 8.748 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.299 10.111 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.746 9.950 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.336 6.862 -1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.703 7.939 -0.507 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.603 6.837 -1.369 1.00 0.00 H new ATOM 911 N LEU A 60 -2.973 9.403 -0.266 1.00 0.00 N ATOM 912 CA LEU A 60 -3.954 10.257 0.423 1.00 0.00 C ATOM 913 C LEU A 60 -3.599 10.307 1.937 1.00 0.00 C ATOM 914 O LEU A 60 -2.708 11.104 2.311 1.00 0.00 O ATOM 915 CB LEU A 60 -5.441 9.815 0.138 1.00 0.00 C ATOM 916 CG LEU A 60 -5.839 8.298 0.348 1.00 0.00 C ATOM 917 CD1 LEU A 60 -7.372 8.119 0.387 1.00 0.00 C ATOM 918 CD2 LEU A 60 -5.228 7.386 -0.734 1.00 0.00 C ATOM 919 OXT LEU A 60 -4.163 9.549 2.739 1.00 0.00 O ATOM 0 H LEU A 60 -2.745 8.554 0.251 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.895 11.271 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.092 10.418 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.671 10.077 -0.895 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.428 7.999 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.612 7.066 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.786 8.702 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.802 8.463 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.527 6.354 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.583 7.698 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.141 7.460 -0.701 1.00 0.00 H new