USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 HIS : no HD1:sc= -3.63! C(o=-2.2!,f=-9!) USER MOD Set 1.2: A 54 TYR OH : rot -128:sc= 1.38 USER MOD Single : A 7 ASN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.75! USER MOD Single : A 31 SER OG : rot -136:sc= -0.0943 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 130:sc= -0.302 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -155:sc= -0.665 (180deg=-1.95!) USER MOD Single : A 51 SER OG : rot -149:sc= 0.038 USER MOD Single : A 52 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.8!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 170:sc= 0.0877 USER MOD Single : A 63 ASN : amide:sc= 0.14 K(o=0.14,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 0.064 -4.086 -16.116 1.00 0.00 N ATOM 2 CA ASN A 7 1.055 -3.398 -15.287 1.00 0.00 C ATOM 3 C ASN A 7 0.890 -3.804 -13.847 1.00 0.00 C ATOM 4 O ASN A 7 1.584 -3.287 -12.970 1.00 0.00 O ATOM 5 CB ASN A 7 0.983 -1.866 -15.417 1.00 0.00 C ATOM 6 CG ASN A 7 -0.339 -1.262 -14.966 1.00 0.00 C ATOM 7 OD1 ASN A 7 -1.255 -1.088 -15.768 1.00 0.00 O ATOM 8 ND2 ASN A 7 -0.452 -0.939 -13.702 1.00 0.00 N ATOM 0 HA ASN A 7 2.038 -3.700 -15.648 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.789 -1.425 -14.831 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.158 -1.592 -16.457 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.320 -0.530 -13.356 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.328 -1.097 -13.064 1.00 0.00 H new ATOM 15 N ARG A 8 -0.093 -4.671 -13.626 1.00 0.00 N ATOM 16 CA ARG A 8 -0.368 -5.323 -12.351 1.00 0.00 C ATOM 17 C ARG A 8 -0.471 -4.350 -11.174 1.00 0.00 C ATOM 18 O ARG A 8 0.478 -4.179 -10.396 1.00 0.00 O ATOM 19 CB ARG A 8 0.634 -6.447 -12.103 1.00 0.00 C ATOM 20 CG ARG A 8 0.551 -7.533 -13.162 1.00 0.00 C ATOM 21 CD ARG A 8 1.706 -8.510 -13.089 1.00 0.00 C ATOM 22 NE ARG A 8 1.835 -9.151 -11.783 1.00 0.00 N ATOM 23 CZ ARG A 8 1.543 -10.424 -11.533 1.00 0.00 C ATOM 24 NH1 ARG A 8 0.867 -11.137 -12.424 1.00 0.00 N ATOM 25 NH2 ARG A 8 1.873 -10.958 -10.358 1.00 0.00 N ATOM 0 H ARG A 8 -0.745 -4.949 -14.359 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.362 -5.765 -12.424 1.00 0.00 H new ATOM 0 HB2 ARG A 8 1.643 -6.035 -12.086 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.451 -6.884 -11.121 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.387 -8.076 -13.047 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.533 -7.071 -14.149 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.573 -9.277 -13.852 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.633 -7.985 -13.322 1.00 0.00 H new ATOM 0 HE ARG A 8 2.173 -8.582 -11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.571 -10.709 -13.301 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.643 -12.113 -12.232 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.347 -10.391 -9.655 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.651 -11.934 -10.161 1.00 0.00 H new ATOM 39 N PRO A 9 -1.607 -3.652 -11.075 1.00 0.00 N ATOM 40 CA PRO A 9 -1.859 -2.712 -10.018 1.00 0.00 C ATOM 41 C PRO A 9 -2.515 -3.373 -8.816 1.00 0.00 C ATOM 42 O PRO A 9 -2.816 -4.579 -8.831 1.00 0.00 O ATOM 43 CB PRO A 9 -2.830 -1.715 -10.654 1.00 0.00 C ATOM 44 CG PRO A 9 -3.249 -2.308 -11.970 1.00 0.00 C ATOM 45 CD PRO A 9 -2.731 -3.709 -11.997 1.00 0.00 C ATOM 0 HA PRO A 9 -0.940 -2.260 -9.645 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.694 -1.550 -10.010 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.352 -0.746 -10.800 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.334 -2.295 -12.072 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.844 -1.730 -12.801 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.485 -4.426 -11.672 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.419 -4.006 -12.998 1.00 0.00 H new ATOM 53 N GLY A 10 -2.759 -2.586 -7.800 1.00 0.00 N ATOM 54 CA GLY A 10 -3.330 -3.074 -6.599 1.00 0.00 C ATOM 55 C GLY A 10 -2.362 -3.907 -5.812 1.00 0.00 C ATOM 56 O GLY A 10 -1.170 -3.981 -6.151 1.00 0.00 O ATOM 0 H GLY A 10 -2.561 -1.585 -7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.664 -2.234 -5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.213 -3.669 -6.833 1.00 0.00 H new ATOM 60 N ILE A 11 -2.841 -4.524 -4.759 1.00 0.00 N ATOM 61 CA ILE A 11 -1.990 -5.333 -3.933 1.00 0.00 C ATOM 62 C ILE A 11 -1.760 -6.665 -4.616 1.00 0.00 C ATOM 63 O ILE A 11 -2.490 -7.634 -4.400 1.00 0.00 O ATOM 64 CB ILE A 11 -2.550 -5.557 -2.494 1.00 0.00 C ATOM 65 CG1 ILE A 11 -2.963 -4.216 -1.846 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.502 -6.266 -1.627 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.487 -4.345 -0.425 1.00 0.00 C ATOM 0 H ILE A 11 -3.814 -4.479 -4.457 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.051 -4.793 -3.811 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.438 -6.186 -2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.103 -3.546 -1.845 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.730 -3.748 -2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.902 -6.418 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.256 -7.231 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.602 -5.653 -1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.754 -3.359 -0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.368 -4.987 -0.419 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.715 -4.782 0.209 1.00 0.00 H new ATOM 79 N THR A 12 -0.844 -6.652 -5.520 1.00 0.00 N ATOM 80 CA THR A 12 -0.429 -7.821 -6.195 1.00 0.00 C ATOM 81 C THR A 12 0.709 -8.389 -5.371 1.00 0.00 C ATOM 82 O THR A 12 1.421 -7.621 -4.709 1.00 0.00 O ATOM 83 CB THR A 12 0.042 -7.461 -7.622 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.984 -6.700 -8.278 1.00 0.00 O ATOM 85 CG2 THR A 12 0.296 -8.708 -8.439 1.00 0.00 C ATOM 0 H THR A 12 -0.354 -5.807 -5.814 1.00 0.00 H new ATOM 0 HA THR A 12 -1.235 -8.547 -6.299 1.00 0.00 H new ATOM 0 HB THR A 12 0.966 -6.888 -7.542 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.690 -6.467 -9.183 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.626 -8.427 -9.439 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.068 -9.308 -7.957 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.623 -9.289 -8.511 1.00 0.00 H new ATOM 93 N PHE A 13 0.884 -9.682 -5.368 1.00 0.00 N ATOM 94 CA PHE A 13 1.915 -10.270 -4.534 1.00 0.00 C ATOM 95 C PHE A 13 3.284 -10.159 -5.197 1.00 0.00 C ATOM 96 O PHE A 13 3.806 -11.129 -5.771 1.00 0.00 O ATOM 97 CB PHE A 13 1.576 -11.715 -4.138 1.00 0.00 C ATOM 98 CG PHE A 13 0.225 -11.851 -3.481 1.00 0.00 C ATOM 99 CD1 PHE A 13 -0.040 -11.234 -2.271 1.00 0.00 C ATOM 100 CD2 PHE A 13 -0.779 -12.599 -4.077 1.00 0.00 C ATOM 101 CE1 PHE A 13 -1.277 -11.357 -1.669 1.00 0.00 C ATOM 102 CE2 PHE A 13 -2.018 -12.726 -3.479 1.00 0.00 C ATOM 103 CZ PHE A 13 -2.267 -12.103 -2.274 1.00 0.00 C ATOM 0 H PHE A 13 0.341 -10.345 -5.921 1.00 0.00 H new ATOM 0 HA PHE A 13 1.957 -9.699 -3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.605 -12.345 -5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.342 -12.088 -3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.730 -10.649 -1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.590 -13.089 -5.021 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.469 -10.869 -0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.790 -13.312 -3.954 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.235 -12.199 -1.805 1.00 0.00 H new ATOM 113 N GLU A 14 3.800 -8.938 -5.200 1.00 0.00 N ATOM 114 CA GLU A 14 5.084 -8.598 -5.767 1.00 0.00 C ATOM 115 C GLU A 14 5.671 -7.441 -5.004 1.00 0.00 C ATOM 116 O GLU A 14 5.012 -6.402 -4.828 1.00 0.00 O ATOM 117 CB GLU A 14 4.950 -8.109 -7.209 1.00 0.00 C ATOM 118 CG GLU A 14 4.347 -9.067 -8.199 1.00 0.00 C ATOM 119 CD GLU A 14 4.225 -8.440 -9.550 1.00 0.00 C ATOM 120 OE1 GLU A 14 5.190 -8.500 -10.326 1.00 0.00 O ATOM 121 OE2 GLU A 14 3.162 -7.886 -9.866 1.00 0.00 O ATOM 0 H GLU A 14 3.317 -8.137 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 14 5.701 -9.495 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.347 -7.201 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.941 -7.831 -7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.964 -9.963 -8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.363 -9.383 -7.851 1.00 0.00 H new ATOM 128 N ILE A 15 6.867 -7.585 -4.553 1.00 0.00 N ATOM 129 CA ILE A 15 7.562 -6.478 -3.981 1.00 0.00 C ATOM 130 C ILE A 15 7.925 -5.520 -5.110 1.00 0.00 C ATOM 131 O ILE A 15 8.689 -5.864 -6.018 1.00 0.00 O ATOM 132 CB ILE A 15 8.804 -6.938 -3.189 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.360 -7.634 -1.883 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.753 -5.771 -2.911 1.00 0.00 C ATOM 135 CD1 ILE A 15 9.490 -8.205 -1.050 1.00 0.00 C ATOM 0 H ILE A 15 7.390 -8.461 -4.568 1.00 0.00 H new ATOM 0 HA ILE A 15 6.924 -5.967 -3.260 1.00 0.00 H new ATOM 0 HB ILE A 15 9.359 -7.656 -3.793 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.807 -6.917 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.670 -8.439 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.617 -6.130 -2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.086 -5.340 -3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.234 -5.011 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.081 -8.673 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 15 10.032 -8.949 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.171 -7.404 -0.762 1.00 0.00 H new ATOM 147 N GLY A 16 7.337 -4.364 -5.068 1.00 0.00 N ATOM 148 CA GLY A 16 7.496 -3.402 -6.104 1.00 0.00 C ATOM 149 C GLY A 16 6.156 -3.011 -6.671 1.00 0.00 C ATOM 150 O GLY A 16 6.014 -1.917 -7.246 1.00 0.00 O ATOM 0 H GLY A 16 6.729 -4.063 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.004 -2.520 -5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.127 -3.810 -6.894 1.00 0.00 H new ATOM 154 N ALA A 17 5.151 -3.886 -6.455 1.00 0.00 N ATOM 155 CA ALA A 17 3.798 -3.688 -6.981 1.00 0.00 C ATOM 156 C ALA A 17 3.191 -2.395 -6.480 1.00 0.00 C ATOM 157 O ALA A 17 3.457 -1.963 -5.349 1.00 0.00 O ATOM 158 CB ALA A 17 2.896 -4.864 -6.633 1.00 0.00 C ATOM 0 H ALA A 17 5.261 -4.743 -5.913 1.00 0.00 H new ATOM 0 HA ALA A 17 3.881 -3.625 -8.066 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.898 -4.689 -7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.307 -5.777 -7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.836 -4.969 -5.550 1.00 0.00 H new ATOM 164 N ARG A 18 2.387 -1.789 -7.315 1.00 0.00 N ATOM 165 CA ARG A 18 1.778 -0.517 -7.027 1.00 0.00 C ATOM 166 C ARG A 18 0.316 -0.695 -6.693 1.00 0.00 C ATOM 167 O ARG A 18 -0.530 -0.854 -7.583 1.00 0.00 O ATOM 168 CB ARG A 18 1.946 0.420 -8.210 1.00 0.00 C ATOM 169 CG ARG A 18 3.384 0.799 -8.491 1.00 0.00 C ATOM 170 CD ARG A 18 3.542 1.304 -9.908 1.00 0.00 C ATOM 171 NE ARG A 18 3.187 0.250 -10.872 1.00 0.00 N ATOM 172 CZ ARG A 18 4.075 -0.508 -11.539 1.00 0.00 C ATOM 173 NH1 ARG A 18 5.375 -0.240 -11.457 1.00 0.00 N ATOM 174 NH2 ARG A 18 3.662 -1.527 -12.287 1.00 0.00 N ATOM 0 H ARG A 18 2.134 -2.171 -8.226 1.00 0.00 H new ATOM 0 HA ARG A 18 2.274 -0.078 -6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.525 -0.052 -9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.370 1.327 -8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.705 1.568 -7.789 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.029 -0.065 -8.335 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.907 2.176 -10.063 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.570 1.625 -10.074 1.00 0.00 H new ATOM 0 HE ARG A 18 2.196 0.083 -11.047 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.700 0.541 -10.888 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.047 -0.816 -11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.666 -1.737 -12.357 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.341 -2.098 -12.790 1.00 0.00 H new ATOM 188 N LEU A 19 0.037 -0.668 -5.425 1.00 0.00 N ATOM 189 CA LEU A 19 -1.290 -0.846 -4.912 1.00 0.00 C ATOM 190 C LEU A 19 -2.007 0.470 -4.787 1.00 0.00 C ATOM 191 O LEU A 19 -1.410 1.545 -5.018 1.00 0.00 O ATOM 192 CB LEU A 19 -1.319 -1.648 -3.558 1.00 0.00 C ATOM 193 CG LEU A 19 -0.437 -1.211 -2.340 1.00 0.00 C ATOM 194 CD1 LEU A 19 1.029 -1.409 -2.595 1.00 0.00 C ATOM 195 CD2 LEU A 19 -0.702 0.212 -1.915 1.00 0.00 C ATOM 0 H LEU A 19 0.740 -0.518 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.825 -1.455 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.354 -1.657 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.051 -2.678 -3.792 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.730 -1.867 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.597 -1.091 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.225 -2.463 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.331 -0.817 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.064 0.463 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.486 0.886 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.748 0.317 -1.626 1.00 0.00 H new ATOM 207 N GLU A 20 -3.260 0.414 -4.403 1.00 0.00 N ATOM 208 CA GLU A 20 -4.001 1.605 -4.207 1.00 0.00 C ATOM 209 C GLU A 20 -4.107 1.866 -2.728 1.00 0.00 C ATOM 210 O GLU A 20 -4.602 1.027 -1.984 1.00 0.00 O ATOM 211 CB GLU A 20 -5.395 1.505 -4.834 1.00 0.00 C ATOM 212 CG GLU A 20 -5.463 1.553 -6.364 1.00 0.00 C ATOM 213 CD GLU A 20 -4.881 0.348 -7.089 1.00 0.00 C ATOM 214 OE1 GLU A 20 -5.599 -0.668 -7.238 1.00 0.00 O ATOM 215 OE2 GLU A 20 -3.731 0.433 -7.586 1.00 0.00 O ATOM 0 H GLU A 20 -3.774 -0.449 -4.224 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.486 2.431 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.852 0.573 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.005 2.318 -4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.506 1.663 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.940 2.446 -6.705 1.00 0.00 H new ATOM 222 N ALA A 21 -3.601 2.977 -2.291 1.00 0.00 N ATOM 223 CA ALA A 21 -3.687 3.323 -0.899 1.00 0.00 C ATOM 224 C ALA A 21 -4.250 4.707 -0.761 1.00 0.00 C ATOM 225 O ALA A 21 -4.001 5.536 -1.609 1.00 0.00 O ATOM 226 CB ALA A 21 -2.327 3.229 -0.252 1.00 0.00 C ATOM 0 H ALA A 21 -3.123 3.663 -2.875 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.350 2.622 -0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.407 3.494 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.950 2.210 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.640 3.915 -0.747 1.00 0.00 H new ATOM 232 N LEU A 22 -5.035 4.919 0.283 1.00 0.00 N ATOM 233 CA LEU A 22 -5.658 6.203 0.596 1.00 0.00 C ATOM 234 C LEU A 22 -4.791 6.832 1.615 1.00 0.00 C ATOM 235 O LEU A 22 -4.930 6.582 2.812 1.00 0.00 O ATOM 236 CB LEU A 22 -7.088 5.980 1.172 1.00 0.00 C ATOM 237 CG LEU A 22 -8.090 7.168 1.273 1.00 0.00 C ATOM 238 CD1 LEU A 22 -9.393 6.684 1.872 1.00 0.00 C ATOM 239 CD2 LEU A 22 -7.573 8.332 2.096 1.00 0.00 C ATOM 0 H LEU A 22 -5.265 4.187 0.955 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.758 6.829 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.563 5.208 0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.971 5.571 2.175 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.234 7.534 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.093 7.517 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.818 5.905 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.208 6.281 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.324 9.121 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.365 7.996 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.657 8.717 1.647 1.00 0.00 H new ATOM 251 N ASP A 23 -3.873 7.588 1.180 1.00 0.00 N ATOM 252 CA ASP A 23 -3.001 8.194 2.112 1.00 0.00 C ATOM 253 C ASP A 23 -3.729 9.323 2.770 1.00 0.00 C ATOM 254 O ASP A 23 -4.760 9.795 2.222 1.00 0.00 O ATOM 255 CB ASP A 23 -1.734 8.680 1.469 1.00 0.00 C ATOM 256 CG ASP A 23 -1.777 10.117 1.038 1.00 0.00 C ATOM 257 OD1 ASP A 23 -2.361 10.437 -0.002 1.00 0.00 O ATOM 258 OD2 ASP A 23 -1.198 10.947 1.756 1.00 0.00 O ATOM 0 H ASP A 23 -3.699 7.806 0.199 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.704 7.452 2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.910 8.547 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.518 8.058 0.600 1.00 0.00 H new ATOM 263 N TYR A 24 -3.179 9.748 3.905 1.00 0.00 N ATOM 264 CA TYR A 24 -3.689 10.770 4.826 1.00 0.00 C ATOM 265 C TYR A 24 -3.950 12.112 4.141 1.00 0.00 C ATOM 266 O TYR A 24 -4.681 12.964 4.651 1.00 0.00 O ATOM 267 CB TYR A 24 -2.661 10.917 5.944 1.00 0.00 C ATOM 268 CG TYR A 24 -2.939 11.976 6.971 1.00 0.00 C ATOM 269 CD1 TYR A 24 -3.829 11.753 8.010 1.00 0.00 C ATOM 270 CD2 TYR A 24 -2.279 13.189 6.918 1.00 0.00 C ATOM 271 CE1 TYR A 24 -4.045 12.715 8.971 1.00 0.00 C ATOM 272 CE2 TYR A 24 -2.491 14.154 7.858 1.00 0.00 C ATOM 273 CZ TYR A 24 -3.375 13.916 8.891 1.00 0.00 C ATOM 274 OH TYR A 24 -3.565 14.868 9.866 1.00 0.00 O ATOM 0 H TYR A 24 -2.296 9.358 4.234 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.657 10.454 5.216 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.574 9.959 6.456 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.692 11.126 5.492 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.359 10.814 8.066 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.581 13.377 6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.734 12.529 9.781 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.971 15.098 7.795 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.020 15.657 9.664 1.00 0.00 H new ATOM 284 N LEU A 25 -3.352 12.301 3.007 1.00 0.00 N ATOM 285 CA LEU A 25 -3.572 13.474 2.199 1.00 0.00 C ATOM 286 C LEU A 25 -4.894 13.333 1.441 1.00 0.00 C ATOM 287 O LEU A 25 -5.334 14.249 0.734 1.00 0.00 O ATOM 288 CB LEU A 25 -2.357 13.689 1.271 1.00 0.00 C ATOM 289 CG LEU A 25 -1.095 14.371 1.890 1.00 0.00 C ATOM 290 CD1 LEU A 25 -0.683 13.765 3.227 1.00 0.00 C ATOM 291 CD2 LEU A 25 0.056 14.240 0.945 1.00 0.00 C ATOM 0 H LEU A 25 -2.687 11.640 2.605 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.660 14.365 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.057 12.718 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.683 14.290 0.422 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.358 15.415 2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.199 14.282 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.499 13.871 3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.454 12.708 3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.937 14.716 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.263 13.185 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.192 14.724 0.000 1.00 0.00 H new ATOM 303 N GLN A 26 -5.510 12.174 1.627 1.00 0.00 N ATOM 304 CA GLN A 26 -6.780 11.800 1.114 1.00 0.00 C ATOM 305 C GLN A 26 -6.717 11.510 -0.292 1.00 0.00 C ATOM 306 O GLN A 26 -7.326 12.203 -1.123 1.00 0.00 O ATOM 307 CB GLN A 26 -7.931 12.705 1.482 1.00 0.00 C ATOM 308 CG GLN A 26 -8.689 12.249 2.709 1.00 0.00 C ATOM 309 CD GLN A 26 -7.875 12.246 3.990 1.00 0.00 C ATOM 310 OE1 GLN A 26 -7.816 13.246 4.699 1.00 0.00 O ATOM 311 NE2 GLN A 26 -7.289 11.119 4.316 1.00 0.00 N ATOM 0 H GLN A 26 -5.088 11.431 2.184 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.026 10.875 1.636 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.551 13.712 1.653 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.620 12.764 0.640 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.555 12.896 2.846 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.068 11.242 2.533 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.361 10.310 3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.761 11.052 5.186 1.00 0.00 H new ATOM 320 N LYS A 27 -5.917 10.534 -0.595 1.00 0.00 N ATOM 321 CA LYS A 27 -5.782 10.130 -1.975 1.00 0.00 C ATOM 322 C LYS A 27 -5.627 8.679 -2.128 1.00 0.00 C ATOM 323 O LYS A 27 -4.769 8.098 -1.510 1.00 0.00 O ATOM 324 CB LYS A 27 -4.589 10.793 -2.668 1.00 0.00 C ATOM 325 CG LYS A 27 -4.698 12.296 -2.913 1.00 0.00 C ATOM 326 CD LYS A 27 -5.440 12.647 -4.227 1.00 0.00 C ATOM 327 CE LYS A 27 -6.847 12.061 -4.298 1.00 0.00 C ATOM 328 NZ LYS A 27 -7.558 12.433 -5.534 1.00 0.00 N ATOM 0 H LYS A 27 -5.355 10.007 0.073 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.712 10.454 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.698 10.608 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.434 10.300 -3.628 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.219 12.758 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.697 12.727 -2.942 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.500 13.731 -4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.858 12.282 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.787 10.975 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.422 12.402 -3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.507 12.008 -5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.642 13.468 -5.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.027 12.085 -6.358 1.00 0.00 H new ATOM 342 N TRP A 28 -6.474 8.097 -2.938 1.00 0.00 N ATOM 343 CA TRP A 28 -6.287 6.751 -3.385 1.00 0.00 C ATOM 344 C TRP A 28 -5.306 6.802 -4.517 1.00 0.00 C ATOM 345 O TRP A 28 -5.668 7.106 -5.659 1.00 0.00 O ATOM 346 CB TRP A 28 -7.585 6.126 -3.860 1.00 0.00 C ATOM 347 CG TRP A 28 -8.516 5.765 -2.767 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.603 6.447 -2.354 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.407 4.623 -1.942 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.222 5.755 -1.326 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.483 4.624 -1.055 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.496 3.597 -1.889 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.667 3.601 -0.103 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.655 2.607 -0.967 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.726 2.595 -0.084 1.00 0.00 C ATOM 0 H TRP A 28 -7.312 8.548 -3.304 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.925 6.137 -2.560 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.085 6.821 -4.535 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.355 5.231 -4.438 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.940 7.389 -2.762 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.080 6.035 -0.850 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.660 3.575 -2.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.505 3.606 0.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.928 1.810 -0.922 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.823 1.787 0.626 1.00 0.00 H new ATOM 366 N TYR A 29 -4.080 6.588 -4.212 1.00 0.00 N ATOM 367 CA TYR A 29 -3.050 6.749 -5.180 1.00 0.00 C ATOM 368 C TYR A 29 -2.111 5.529 -5.213 1.00 0.00 C ATOM 369 O TYR A 29 -2.121 4.703 -4.264 1.00 0.00 O ATOM 370 CB TYR A 29 -2.304 8.101 -4.923 1.00 0.00 C ATOM 371 CG TYR A 29 -1.484 8.231 -3.623 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.460 7.236 -2.635 1.00 0.00 C ATOM 373 CD2 TYR A 29 -0.696 9.356 -3.417 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.674 7.355 -1.520 1.00 0.00 C ATOM 375 CE2 TYR A 29 0.078 9.490 -2.303 1.00 0.00 C ATOM 376 CZ TYR A 29 0.104 8.497 -1.362 1.00 0.00 C ATOM 377 OH TYR A 29 0.928 8.629 -0.273 1.00 0.00 O ATOM 0 H TYR A 29 -3.758 6.297 -3.289 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.489 6.800 -6.177 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.632 8.278 -5.763 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.045 8.900 -4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.075 6.357 -2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.697 10.143 -4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.658 6.574 -0.774 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.672 10.381 -2.163 1.00 0.00 H new ATOM 0 HH TYR A 29 1.399 9.487 -0.322 1.00 0.00 H new ATOM 387 N PRO A 30 -1.344 5.352 -6.320 1.00 0.00 N ATOM 388 CA PRO A 30 -0.362 4.279 -6.439 1.00 0.00 C ATOM 389 C PRO A 30 0.700 4.373 -5.368 1.00 0.00 C ATOM 390 O PRO A 30 1.386 5.402 -5.226 1.00 0.00 O ATOM 391 CB PRO A 30 0.275 4.488 -7.816 1.00 0.00 C ATOM 392 CG PRO A 30 -0.692 5.325 -8.566 1.00 0.00 C ATOM 393 CD PRO A 30 -1.404 6.164 -7.549 1.00 0.00 C ATOM 0 HA PRO A 30 -0.829 3.301 -6.325 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.242 4.983 -7.732 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.446 3.537 -8.320 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.179 5.951 -9.296 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.397 4.704 -9.119 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.917 7.130 -7.415 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.433 6.365 -7.846 1.00 0.00 H new ATOM 401 N SER A 31 0.792 3.340 -4.608 1.00 0.00 N ATOM 402 CA SER A 31 1.749 3.201 -3.559 1.00 0.00 C ATOM 403 C SER A 31 2.441 1.862 -3.781 1.00 0.00 C ATOM 404 O SER A 31 1.882 1.020 -4.437 1.00 0.00 O ATOM 405 CB SER A 31 0.996 3.265 -2.247 1.00 0.00 C ATOM 406 OG SER A 31 0.322 4.505 -2.139 1.00 0.00 O ATOM 0 H SER A 31 0.177 2.531 -4.701 1.00 0.00 H new ATOM 0 HA SER A 31 2.506 3.985 -3.544 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.280 2.445 -2.188 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.688 3.144 -1.414 1.00 0.00 H new ATOM 0 HG SER A 31 0.441 4.864 -1.235 1.00 0.00 H new ATOM 412 N ARG A 32 3.639 1.655 -3.290 1.00 0.00 N ATOM 413 CA ARG A 32 4.350 0.424 -3.660 1.00 0.00 C ATOM 414 C ARG A 32 4.574 -0.499 -2.484 1.00 0.00 C ATOM 415 O ARG A 32 4.615 -0.061 -1.360 1.00 0.00 O ATOM 416 CB ARG A 32 5.694 0.755 -4.291 1.00 0.00 C ATOM 417 CG ARG A 32 5.611 1.749 -5.409 1.00 0.00 C ATOM 418 CD ARG A 32 6.922 1.896 -6.149 1.00 0.00 C ATOM 419 NE ARG A 32 7.333 0.675 -6.873 1.00 0.00 N ATOM 420 CZ ARG A 32 8.526 0.534 -7.474 1.00 0.00 C ATOM 421 NH1 ARG A 32 9.474 1.446 -7.285 1.00 0.00 N ATOM 422 NH2 ARG A 32 8.786 -0.530 -8.224 1.00 0.00 N ATOM 0 H ARG A 32 4.137 2.283 -2.659 1.00 0.00 H new ATOM 0 HA ARG A 32 3.712 -0.094 -4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.360 1.144 -3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.144 -0.164 -4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.835 1.440 -6.109 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.312 2.718 -5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.838 2.719 -6.859 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.703 2.167 -5.438 1.00 0.00 H new ATOM 0 HE ARG A 32 6.675 -0.103 -6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.295 2.251 -6.685 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.381 1.341 -7.740 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.076 -1.252 -8.349 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.696 -0.626 -8.675 1.00 0.00 H new ATOM 436 N ILE A 33 4.716 -1.770 -2.757 1.00 0.00 N ATOM 437 CA ILE A 33 5.069 -2.750 -1.733 1.00 0.00 C ATOM 438 C ILE A 33 6.592 -2.872 -1.677 1.00 0.00 C ATOM 439 O ILE A 33 7.233 -2.929 -2.708 1.00 0.00 O ATOM 440 CB ILE A 33 4.474 -4.152 -2.040 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.950 -4.092 -2.110 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.908 -5.145 -0.979 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.282 -5.406 -2.460 1.00 0.00 C ATOM 0 H ILE A 33 4.593 -2.166 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 33 4.660 -2.407 -0.783 1.00 0.00 H new ATOM 0 HB ILE A 33 4.849 -4.479 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.568 -3.751 -1.148 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.663 -3.345 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.486 -6.125 -1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.996 -5.213 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.555 -4.812 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.201 -5.269 -2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.630 -5.742 -3.437 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.534 -6.154 -1.708 1.00 0.00 H new ATOM 455 N GLU A 34 7.153 -2.859 -0.493 1.00 0.00 N ATOM 456 CA GLU A 34 8.596 -2.995 -0.313 1.00 0.00 C ATOM 457 C GLU A 34 8.919 -4.330 0.368 1.00 0.00 C ATOM 458 O GLU A 34 9.930 -4.955 0.079 1.00 0.00 O ATOM 459 CB GLU A 34 9.093 -1.836 0.525 1.00 0.00 C ATOM 460 CG GLU A 34 10.585 -1.733 0.721 1.00 0.00 C ATOM 461 CD GLU A 34 10.941 -0.587 1.634 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.726 0.585 1.254 1.00 0.00 O ATOM 463 OE2 GLU A 34 11.463 -0.840 2.745 1.00 0.00 O ATOM 0 H GLU A 34 6.632 -2.755 0.378 1.00 0.00 H new ATOM 0 HA GLU A 34 9.094 -2.981 -1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.745 -0.910 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.624 -1.900 1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.964 -2.665 1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.072 -1.596 -0.245 1.00 0.00 H new ATOM 470 N LYS A 35 8.059 -4.741 1.286 1.00 0.00 N ATOM 471 CA LYS A 35 8.154 -6.032 1.980 1.00 0.00 C ATOM 472 C LYS A 35 6.754 -6.496 2.270 1.00 0.00 C ATOM 473 O LYS A 35 5.858 -5.663 2.400 1.00 0.00 O ATOM 474 CB LYS A 35 8.941 -5.945 3.314 1.00 0.00 C ATOM 475 CG LYS A 35 10.450 -5.710 3.193 1.00 0.00 C ATOM 476 CD LYS A 35 11.140 -6.801 2.365 1.00 0.00 C ATOM 477 CE LYS A 35 10.948 -8.204 2.943 1.00 0.00 C ATOM 478 NZ LYS A 35 11.577 -8.378 4.269 1.00 0.00 N ATOM 0 H LYS A 35 7.258 -4.183 1.581 1.00 0.00 H new ATOM 0 HA LYS A 35 8.695 -6.726 1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.515 -5.139 3.911 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.781 -6.870 3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.629 -4.738 2.733 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.892 -5.677 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.751 -6.777 1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.206 -6.583 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.881 -8.414 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.366 -8.935 2.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.412 -9.348 4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.600 -8.207 4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.162 -7.702 4.942 1.00 0.00 H new ATOM 492 N ILE A 36 6.539 -7.785 2.353 1.00 0.00 N ATOM 493 CA ILE A 36 5.213 -8.301 2.620 1.00 0.00 C ATOM 494 C ILE A 36 5.282 -9.271 3.793 1.00 0.00 C ATOM 495 O ILE A 36 6.268 -9.997 3.944 1.00 0.00 O ATOM 496 CB ILE A 36 4.616 -9.072 1.392 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.900 -8.326 0.077 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.105 -9.247 1.576 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.317 -8.968 -1.167 1.00 0.00 C ATOM 0 H ILE A 36 7.260 -8.497 2.240 1.00 0.00 H new ATOM 0 HA ILE A 36 4.571 -7.448 2.839 1.00 0.00 H new ATOM 0 HB ILE A 36 5.093 -10.050 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.509 -7.312 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.979 -8.242 -0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.694 -9.783 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.913 -9.814 2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.632 -8.268 1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.572 -8.367 -2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.726 -9.971 -1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.233 -9.027 -1.072 1.00 0.00 H new ATOM 511 N ASP A 37 4.280 -9.242 4.629 1.00 0.00 N ATOM 512 CA ASP A 37 4.127 -10.199 5.707 1.00 0.00 C ATOM 513 C ASP A 37 2.746 -10.764 5.550 1.00 0.00 C ATOM 514 O ASP A 37 1.806 -10.160 5.965 1.00 0.00 O ATOM 515 CB ASP A 37 4.244 -9.536 7.103 1.00 0.00 C ATOM 516 CG ASP A 37 4.302 -10.553 8.233 1.00 0.00 C ATOM 517 OD1 ASP A 37 3.280 -11.171 8.563 1.00 0.00 O ATOM 518 OD2 ASP A 37 5.392 -10.734 8.823 1.00 0.00 O ATOM 0 H ASP A 37 3.534 -8.547 4.586 1.00 0.00 H new ATOM 0 HA ASP A 37 4.911 -10.954 5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.140 -8.915 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.392 -8.874 7.259 1.00 0.00 H new ATOM 523 N TYR A 38 2.629 -11.887 4.912 1.00 0.00 N ATOM 524 CA TYR A 38 1.346 -12.492 4.587 1.00 0.00 C ATOM 525 C TYR A 38 0.811 -13.187 5.811 1.00 0.00 C ATOM 526 O TYR A 38 -0.402 -13.391 5.948 1.00 0.00 O ATOM 527 CB TYR A 38 1.491 -13.557 3.501 1.00 0.00 C ATOM 528 CG TYR A 38 2.220 -13.169 2.233 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.604 -13.129 2.184 1.00 0.00 C ATOM 530 CD2 TYR A 38 1.519 -12.909 1.070 1.00 0.00 C ATOM 531 CE1 TYR A 38 4.265 -12.837 1.014 1.00 0.00 C ATOM 532 CE2 TYR A 38 2.175 -12.607 -0.102 1.00 0.00 C ATOM 533 CZ TYR A 38 3.546 -12.576 -0.125 1.00 0.00 C ATOM 534 OH TYR A 38 4.203 -12.301 -1.296 1.00 0.00 O ATOM 0 H TYR A 38 3.430 -12.430 4.590 1.00 0.00 H new ATOM 0 HA TYR A 38 0.683 -11.699 4.240 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.006 -14.413 3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.492 -13.893 3.225 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.173 -13.330 3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.440 -12.943 1.081 1.00 0.00 H new ATOM 0 HE1 TYR A 38 5.345 -12.813 0.992 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.613 -12.395 -0.999 1.00 0.00 H new ATOM 0 HH TYR A 38 3.843 -12.863 -2.013 1.00 0.00 H new ATOM 544 N GLU A 39 1.740 -13.556 6.682 1.00 0.00 N ATOM 545 CA GLU A 39 1.466 -14.239 7.920 1.00 0.00 C ATOM 546 C GLU A 39 0.492 -13.431 8.760 1.00 0.00 C ATOM 547 O GLU A 39 -0.542 -13.937 9.189 1.00 0.00 O ATOM 548 CB GLU A 39 2.777 -14.464 8.651 1.00 0.00 C ATOM 549 CG GLU A 39 2.661 -15.194 9.957 1.00 0.00 C ATOM 550 CD GLU A 39 3.999 -15.471 10.544 1.00 0.00 C ATOM 551 OE1 GLU A 39 4.587 -16.534 10.238 1.00 0.00 O ATOM 552 OE2 GLU A 39 4.505 -14.641 11.317 1.00 0.00 O ATOM 0 H GLU A 39 2.733 -13.379 6.533 1.00 0.00 H new ATOM 0 HA GLU A 39 1.001 -15.205 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.448 -15.023 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.244 -13.496 8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.071 -14.601 10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.127 -16.132 9.805 1.00 0.00 H new ATOM 559 N GLU A 40 0.814 -12.188 8.977 1.00 0.00 N ATOM 560 CA GLU A 40 -0.079 -11.284 9.655 1.00 0.00 C ATOM 561 C GLU A 40 -1.003 -10.698 8.604 1.00 0.00 C ATOM 562 O GLU A 40 -2.182 -10.421 8.842 1.00 0.00 O ATOM 563 CB GLU A 40 0.732 -10.173 10.311 1.00 0.00 C ATOM 564 CG GLU A 40 -0.073 -9.217 11.141 1.00 0.00 C ATOM 565 CD GLU A 40 -0.836 -9.907 12.245 1.00 0.00 C ATOM 566 OE1 GLU A 40 -0.212 -10.418 13.190 1.00 0.00 O ATOM 567 OE2 GLU A 40 -2.075 -9.962 12.182 1.00 0.00 O ATOM 0 H GLU A 40 1.700 -11.771 8.691 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.651 -11.798 10.427 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.498 -10.624 10.941 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.249 -9.611 9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.592 -8.470 11.576 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.774 -8.684 10.498 1.00 0.00 H new ATOM 574 N GLY A 41 -0.445 -10.540 7.442 1.00 0.00 N ATOM 575 CA GLY A 41 -1.138 -10.011 6.325 1.00 0.00 C ATOM 576 C GLY A 41 -1.031 -8.520 6.275 1.00 0.00 C ATOM 577 O GLY A 41 -2.030 -7.799 6.256 1.00 0.00 O ATOM 0 H GLY A 41 0.526 -10.783 7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.733 -10.438 5.408 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.188 -10.301 6.375 1.00 0.00 H new ATOM 581 N LYS A 42 0.189 -8.077 6.265 1.00 0.00 N ATOM 582 CA LYS A 42 0.552 -6.693 6.227 1.00 0.00 C ATOM 583 C LYS A 42 1.530 -6.530 5.092 1.00 0.00 C ATOM 584 O LYS A 42 2.154 -7.507 4.663 1.00 0.00 O ATOM 585 CB LYS A 42 1.334 -6.304 7.492 1.00 0.00 C ATOM 586 CG LYS A 42 0.717 -6.706 8.806 1.00 0.00 C ATOM 587 CD LYS A 42 1.586 -6.266 9.976 1.00 0.00 C ATOM 588 CE LYS A 42 2.949 -6.945 9.952 1.00 0.00 C ATOM 589 NZ LYS A 42 3.753 -6.617 11.141 1.00 0.00 N ATOM 0 H LYS A 42 0.997 -8.700 6.284 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.350 -6.089 6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.328 -6.748 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.467 -5.222 7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.274 -6.261 8.897 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.585 -7.788 8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.718 -5.184 9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.080 -6.499 10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.814 -8.025 9.893 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.489 -6.641 9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.672 -7.100 11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.905 -5.589 11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.251 -6.930 11.997 1.00 0.00 H new ATOM 603 N MET A 43 1.682 -5.356 4.617 1.00 0.00 N ATOM 604 CA MET A 43 2.713 -5.087 3.680 1.00 0.00 C ATOM 605 C MET A 43 3.364 -3.787 4.054 1.00 0.00 C ATOM 606 O MET A 43 2.710 -2.891 4.623 1.00 0.00 O ATOM 607 CB MET A 43 2.227 -5.078 2.199 1.00 0.00 C ATOM 608 CG MET A 43 1.436 -3.841 1.729 1.00 0.00 C ATOM 609 SD MET A 43 -0.128 -3.566 2.596 1.00 0.00 S ATOM 610 CE MET A 43 -0.995 -5.089 2.245 1.00 0.00 C ATOM 0 H MET A 43 1.102 -4.553 4.861 1.00 0.00 H new ATOM 0 HA MET A 43 3.435 -5.902 3.729 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.100 -5.186 1.555 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.604 -5.958 2.042 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.063 -2.958 1.852 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.232 -3.941 0.663 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.070 -4.918 2.306 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.738 -5.431 1.242 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.706 -5.848 2.972 1.00 0.00 H new ATOM 620 N LEU A 44 4.644 -3.707 3.827 1.00 0.00 N ATOM 621 CA LEU A 44 5.361 -2.497 4.024 1.00 0.00 C ATOM 622 C LEU A 44 5.157 -1.742 2.760 1.00 0.00 C ATOM 623 O LEU A 44 5.775 -2.043 1.722 1.00 0.00 O ATOM 624 CB LEU A 44 6.874 -2.755 4.306 1.00 0.00 C ATOM 625 CG LEU A 44 7.764 -1.547 4.762 1.00 0.00 C ATOM 626 CD1 LEU A 44 7.954 -0.509 3.684 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.207 -0.891 6.000 1.00 0.00 C ATOM 0 H LEU A 44 5.214 -4.486 3.499 1.00 0.00 H new ATOM 0 HA LEU A 44 5.008 -1.947 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.942 -3.526 5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.315 -3.169 3.399 1.00 0.00 H new ATOM 0 HG LEU A 44 8.742 -1.973 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.579 0.300 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.437 -0.966 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.984 -0.110 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.847 -0.058 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.202 -0.522 5.796 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.169 -1.618 6.811 1.00 0.00 H new ATOM 639 N VAL A 45 4.244 -0.867 2.810 1.00 0.00 N ATOM 640 CA VAL A 45 3.885 -0.103 1.699 1.00 0.00 C ATOM 641 C VAL A 45 4.601 1.221 1.745 1.00 0.00 C ATOM 642 O VAL A 45 4.729 1.850 2.800 1.00 0.00 O ATOM 643 CB VAL A 45 2.332 0.046 1.578 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.710 0.517 2.872 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.945 0.976 0.441 1.00 0.00 C ATOM 0 H VAL A 45 3.709 -0.656 3.652 1.00 0.00 H new ATOM 0 HA VAL A 45 4.199 -0.620 0.792 1.00 0.00 H new ATOM 0 HB VAL A 45 1.941 -0.947 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.631 0.607 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.924 -0.203 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.126 1.487 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.859 1.054 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.372 1.963 0.617 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.326 0.579 -0.500 1.00 0.00 H new ATOM 655 N HIS A 46 5.137 1.585 0.631 1.00 0.00 N ATOM 656 CA HIS A 46 5.806 2.813 0.498 1.00 0.00 C ATOM 657 C HIS A 46 5.043 3.761 -0.338 1.00 0.00 C ATOM 658 O HIS A 46 4.876 3.576 -1.556 1.00 0.00 O ATOM 659 CB HIS A 46 7.308 2.722 0.118 1.00 0.00 C ATOM 660 CG HIS A 46 7.730 1.846 -1.016 1.00 0.00 C ATOM 661 ND1 HIS A 46 8.512 2.291 -2.054 1.00 0.00 N ATOM 662 CD2 HIS A 46 7.624 0.527 -1.184 1.00 0.00 C ATOM 663 CE1 HIS A 46 8.864 1.270 -2.791 1.00 0.00 C ATOM 664 NE2 HIS A 46 8.341 0.188 -2.292 1.00 0.00 N ATOM 0 H HIS A 46 5.117 1.023 -0.220 1.00 0.00 H new ATOM 0 HA HIS A 46 5.842 3.223 1.507 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.650 3.733 -0.106 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.849 2.392 1.004 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.069 -0.152 -0.554 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.488 1.317 -3.671 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.449 -0.754 -2.667 1.00 0.00 H new ATOM 673 N PHE A 47 4.531 4.726 0.342 1.00 0.00 N ATOM 674 CA PHE A 47 3.827 5.824 -0.215 1.00 0.00 C ATOM 675 C PHE A 47 4.897 6.738 -0.737 1.00 0.00 C ATOM 676 O PHE A 47 6.002 6.704 -0.223 1.00 0.00 O ATOM 677 CB PHE A 47 3.003 6.516 0.889 1.00 0.00 C ATOM 678 CG PHE A 47 1.955 5.640 1.515 1.00 0.00 C ATOM 679 CD1 PHE A 47 2.292 4.635 2.401 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.627 5.840 1.224 1.00 0.00 C ATOM 681 CE1 PHE A 47 1.324 3.854 2.972 1.00 0.00 C ATOM 682 CE2 PHE A 47 -0.345 5.063 1.790 1.00 0.00 C ATOM 683 CZ PHE A 47 0.000 4.069 2.662 1.00 0.00 C ATOM 0 H PHE A 47 4.597 4.771 1.359 1.00 0.00 H new ATOM 0 HA PHE A 47 3.130 5.531 -1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.681 6.866 1.668 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.520 7.397 0.468 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.330 4.464 2.646 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.346 6.624 0.537 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.598 3.071 3.664 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.384 5.234 1.548 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.766 3.452 3.108 1.00 0.00 H new ATOM 693 N GLU A 48 4.604 7.513 -1.740 1.00 0.00 N ATOM 694 CA GLU A 48 5.616 8.326 -2.397 1.00 0.00 C ATOM 695 C GLU A 48 6.353 9.303 -1.448 1.00 0.00 C ATOM 696 O GLU A 48 7.528 9.627 -1.690 1.00 0.00 O ATOM 697 CB GLU A 48 5.055 8.969 -3.676 1.00 0.00 C ATOM 698 CG GLU A 48 3.855 9.875 -3.488 1.00 0.00 C ATOM 699 CD GLU A 48 4.238 11.318 -3.488 1.00 0.00 C ATOM 700 OE1 GLU A 48 4.277 11.919 -4.570 1.00 0.00 O ATOM 701 OE2 GLU A 48 4.507 11.889 -2.418 1.00 0.00 O ATOM 0 H GLU A 48 3.667 7.608 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 48 6.415 7.656 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.850 9.545 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.781 8.174 -4.369 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.134 9.691 -4.284 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.360 9.631 -2.548 1.00 0.00 H new ATOM 708 N ARG A 49 5.659 9.731 -0.379 1.00 0.00 N ATOM 709 CA ARG A 49 6.200 10.552 0.726 1.00 0.00 C ATOM 710 C ARG A 49 5.021 11.075 1.513 1.00 0.00 C ATOM 711 O ARG A 49 4.056 11.546 0.899 1.00 0.00 O ATOM 712 CB ARG A 49 7.017 11.744 0.217 1.00 0.00 C ATOM 713 CG ARG A 49 7.676 12.560 1.304 1.00 0.00 C ATOM 714 CD ARG A 49 8.484 13.679 0.704 1.00 0.00 C ATOM 715 NE ARG A 49 9.116 14.522 1.718 1.00 0.00 N ATOM 716 CZ ARG A 49 9.268 15.848 1.598 1.00 0.00 C ATOM 717 NH1 ARG A 49 8.796 16.473 0.528 1.00 0.00 N ATOM 718 NH2 ARG A 49 9.887 16.541 2.536 1.00 0.00 N ATOM 0 H ARG A 49 4.671 9.509 -0.253 1.00 0.00 H new ATOM 0 HA ARG A 49 6.864 9.935 1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.787 11.378 -0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.363 12.395 -0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.917 12.968 1.971 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.320 11.921 1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.253 13.260 0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.838 14.293 0.077 1.00 0.00 H new ATOM 0 HE ARG A 49 9.462 14.074 2.567 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.318 15.945 -0.202 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.911 17.482 0.435 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.255 16.067 3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.998 17.550 2.435 1.00 0.00 H new ATOM 732 N TRP A 50 5.060 11.000 2.845 1.00 0.00 N ATOM 733 CA TRP A 50 3.934 11.475 3.638 1.00 0.00 C ATOM 734 C TRP A 50 4.261 11.576 5.132 1.00 0.00 C ATOM 735 O TRP A 50 5.429 11.543 5.517 1.00 0.00 O ATOM 736 CB TRP A 50 2.688 10.601 3.407 1.00 0.00 C ATOM 737 CG TRP A 50 2.731 9.197 3.953 1.00 0.00 C ATOM 738 CD1 TRP A 50 3.806 8.351 4.133 1.00 0.00 C ATOM 739 CD2 TRP A 50 1.599 8.486 4.362 1.00 0.00 C ATOM 740 NE1 TRP A 50 3.374 7.170 4.679 1.00 0.00 N ATOM 741 CE2 TRP A 50 2.011 7.230 4.819 1.00 0.00 C ATOM 742 CE3 TRP A 50 0.266 8.811 4.394 1.00 0.00 C ATOM 743 CZ2 TRP A 50 1.105 6.291 5.306 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -0.624 7.905 4.855 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.216 6.648 5.313 1.00 0.00 C ATOM 0 H TRP A 50 5.841 10.624 3.383 1.00 0.00 H new ATOM 0 HA TRP A 50 3.718 12.487 3.295 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.830 11.110 3.846 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.509 10.542 2.333 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.830 8.583 3.882 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.966 6.381 4.937 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.068 9.780 4.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.430 5.325 5.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.674 8.157 4.870 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.954 5.949 5.677 1.00 0.00 H new ATOM 756 N SER A 51 3.195 11.694 5.941 1.00 0.00 N ATOM 757 CA SER A 51 3.227 11.882 7.384 1.00 0.00 C ATOM 758 C SER A 51 4.301 11.058 8.105 1.00 0.00 C ATOM 759 O SER A 51 5.246 11.647 8.647 1.00 0.00 O ATOM 760 CB SER A 51 1.854 11.563 7.939 1.00 0.00 C ATOM 761 OG SER A 51 0.866 12.339 7.282 1.00 0.00 O ATOM 0 H SER A 51 2.243 11.658 5.578 1.00 0.00 H new ATOM 0 HA SER A 51 3.497 12.922 7.568 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.639 10.502 7.809 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.831 11.764 9.010 1.00 0.00 H new ATOM 0 HG SER A 51 0.128 12.521 7.901 1.00 0.00 H new ATOM 767 N HIS A 52 4.163 9.715 8.101 1.00 0.00 N ATOM 768 CA HIS A 52 5.124 8.837 8.785 1.00 0.00 C ATOM 769 C HIS A 52 6.511 9.107 8.252 1.00 0.00 C ATOM 770 O HIS A 52 7.354 9.628 8.956 1.00 0.00 O ATOM 771 CB HIS A 52 4.775 7.348 8.573 1.00 0.00 C ATOM 772 CG HIS A 52 5.569 6.390 9.437 1.00 0.00 C ATOM 773 ND1 HIS A 52 6.168 5.249 8.943 1.00 0.00 N ATOM 774 CD2 HIS A 52 5.839 6.399 10.768 1.00 0.00 C ATOM 775 CE1 HIS A 52 6.769 4.608 9.924 1.00 0.00 C ATOM 776 NE2 HIS A 52 6.586 5.281 11.034 1.00 0.00 N ATOM 0 H HIS A 52 3.401 9.223 7.635 1.00 0.00 H new ATOM 0 HA HIS A 52 5.081 9.048 9.854 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.713 7.204 8.773 1.00 0.00 H new ATOM 0 HB3 HIS A 52 4.939 7.095 7.526 1.00 0.00 H new ATOM 0 HD1 HIS A 52 6.148 4.949 7.968 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.525 7.146 11.482 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.320 3.684 9.830 1.00 0.00 H new ATOM 785 N ARG A 53 6.699 8.783 6.997 1.00 0.00 N ATOM 786 CA ARG A 53 7.944 8.974 6.274 1.00 0.00 C ATOM 787 C ARG A 53 7.679 8.772 4.803 1.00 0.00 C ATOM 788 O ARG A 53 7.410 9.701 4.048 1.00 0.00 O ATOM 789 CB ARG A 53 9.063 7.962 6.695 1.00 0.00 C ATOM 790 CG ARG A 53 9.779 8.227 8.010 1.00 0.00 C ATOM 791 CD ARG A 53 10.938 7.262 8.235 1.00 0.00 C ATOM 792 NE ARG A 53 10.525 5.853 8.268 1.00 0.00 N ATOM 793 CZ ARG A 53 10.807 4.997 9.261 1.00 0.00 C ATOM 794 NH1 ARG A 53 11.527 5.381 10.310 1.00 0.00 N ATOM 795 NH2 ARG A 53 10.379 3.753 9.185 1.00 0.00 N ATOM 0 H ARG A 53 5.966 8.363 6.425 1.00 0.00 H new ATOM 0 HA ARG A 53 8.295 9.980 6.504 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.618 6.968 6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.811 7.936 5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.153 9.251 8.019 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.070 8.139 8.833 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.674 7.399 7.443 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.431 7.511 9.175 1.00 0.00 H new ATOM 0 HE ARG A 53 9.984 5.500 7.478 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.873 6.339 10.368 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.733 4.718 11.057 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.838 3.448 8.376 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.589 3.095 9.935 1.00 0.00 H new ATOM 809 N TYR A 54 7.627 7.526 4.464 1.00 0.00 N ATOM 810 CA TYR A 54 7.554 7.050 3.124 1.00 0.00 C ATOM 811 C TYR A 54 6.995 5.639 3.227 1.00 0.00 C ATOM 812 O TYR A 54 6.022 5.281 2.598 1.00 0.00 O ATOM 813 CB TYR A 54 9.013 7.067 2.571 1.00 0.00 C ATOM 814 CG TYR A 54 9.238 6.468 1.208 1.00 0.00 C ATOM 815 CD1 TYR A 54 8.912 7.155 0.055 1.00 0.00 C ATOM 816 CD2 TYR A 54 9.798 5.210 1.082 1.00 0.00 C ATOM 817 CE1 TYR A 54 9.122 6.597 -1.191 1.00 0.00 C ATOM 818 CE2 TYR A 54 10.017 4.651 -0.148 1.00 0.00 C ATOM 819 CZ TYR A 54 9.675 5.341 -1.282 1.00 0.00 C ATOM 820 OH TYR A 54 9.863 4.760 -2.512 1.00 0.00 O ATOM 0 H TYR A 54 7.635 6.773 5.152 1.00 0.00 H new ATOM 0 HA TYR A 54 6.925 7.642 2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.353 8.102 2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.650 6.540 3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.486 8.145 0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.068 4.658 1.971 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.855 7.141 -2.085 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.458 3.668 -0.225 1.00 0.00 H new ATOM 0 HH TYR A 54 9.459 3.867 -2.517 1.00 0.00 H new ATOM 830 N ASP A 55 7.582 4.895 4.119 1.00 0.00 N ATOM 831 CA ASP A 55 7.206 3.524 4.414 1.00 0.00 C ATOM 832 C ASP A 55 6.161 3.480 5.533 1.00 0.00 C ATOM 833 O ASP A 55 6.094 4.411 6.376 1.00 0.00 O ATOM 834 CB ASP A 55 8.445 2.783 4.900 1.00 0.00 C ATOM 835 CG ASP A 55 9.009 3.388 6.168 1.00 0.00 C ATOM 836 OD1 ASP A 55 9.531 4.536 6.118 1.00 0.00 O ATOM 837 OD2 ASP A 55 8.939 2.743 7.235 1.00 0.00 O ATOM 0 H ASP A 55 8.362 5.228 4.685 1.00 0.00 H new ATOM 0 HA ASP A 55 6.792 3.068 3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.195 1.737 5.078 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.207 2.801 4.120 1.00 0.00 H new ATOM 842 N GLU A 56 5.340 2.443 5.524 1.00 0.00 N ATOM 843 CA GLU A 56 4.370 2.175 6.577 1.00 0.00 C ATOM 844 C GLU A 56 3.861 0.713 6.456 1.00 0.00 C ATOM 845 O GLU A 56 3.813 0.168 5.358 1.00 0.00 O ATOM 846 CB GLU A 56 3.204 3.196 6.502 1.00 0.00 C ATOM 847 CG GLU A 56 2.148 3.035 7.586 1.00 0.00 C ATOM 848 CD GLU A 56 2.730 3.152 8.974 1.00 0.00 C ATOM 849 OE1 GLU A 56 3.224 2.137 9.510 1.00 0.00 O ATOM 850 OE2 GLU A 56 2.712 4.260 9.556 1.00 0.00 O ATOM 0 H GLU A 56 5.327 1.752 4.774 1.00 0.00 H new ATOM 0 HA GLU A 56 4.844 2.289 7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.616 4.203 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.722 3.106 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.376 3.793 7.453 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.664 2.064 7.478 1.00 0.00 H new ATOM 857 N TRP A 57 3.530 0.086 7.583 1.00 0.00 N ATOM 858 CA TRP A 57 3.009 -1.288 7.592 1.00 0.00 C ATOM 859 C TRP A 57 1.516 -1.251 7.683 1.00 0.00 C ATOM 860 O TRP A 57 0.962 -0.779 8.681 1.00 0.00 O ATOM 861 CB TRP A 57 3.531 -2.121 8.772 1.00 0.00 C ATOM 862 CG TRP A 57 4.956 -2.549 8.671 1.00 0.00 C ATOM 863 CD1 TRP A 57 6.034 -1.955 9.247 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.460 -3.687 7.957 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.176 -2.643 8.931 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.853 -3.710 8.139 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.868 -4.686 7.176 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.664 -4.689 7.572 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.674 -5.655 6.614 1.00 0.00 C ATOM 870 CH2 TRP A 57 7.058 -5.651 6.813 1.00 0.00 C ATOM 0 H TRP A 57 3.612 0.507 8.509 1.00 0.00 H new ATOM 0 HA TRP A 57 3.349 -1.756 6.669 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.407 -1.542 9.687 1.00 0.00 H new ATOM 0 HB3 TRP A 57 2.908 -3.010 8.871 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.996 -1.069 9.864 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.117 -2.398 9.238 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.800 -4.698 7.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.733 -4.689 7.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.228 -6.431 6.009 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.660 -6.423 6.358 1.00 0.00 H new ATOM 881 N ILE A 58 0.860 -1.742 6.677 1.00 0.00 N ATOM 882 CA ILE A 58 -0.586 -1.731 6.644 1.00 0.00 C ATOM 883 C ILE A 58 -1.079 -3.133 6.282 1.00 0.00 C ATOM 884 O ILE A 58 -0.332 -3.904 5.720 1.00 0.00 O ATOM 885 CB ILE A 58 -1.100 -0.658 5.627 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.489 0.711 5.975 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.618 -0.564 5.654 1.00 0.00 C ATOM 888 CD1 ILE A 58 -0.876 1.829 5.049 1.00 0.00 C ATOM 0 H ILE A 58 1.299 -2.161 5.857 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.982 -1.460 7.623 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.794 -0.956 4.624 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.787 0.979 6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.597 0.618 5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.949 0.189 4.938 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.047 -1.530 5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.947 -0.283 6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.398 2.753 5.374 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.553 1.590 4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.958 1.956 5.064 1.00 0.00 H new ATOM 900 N TYR A 59 -2.302 -3.462 6.642 1.00 0.00 N ATOM 901 CA TYR A 59 -2.869 -4.777 6.373 1.00 0.00 C ATOM 902 C TYR A 59 -3.615 -4.741 5.044 1.00 0.00 C ATOM 903 O TYR A 59 -3.817 -3.647 4.483 1.00 0.00 O ATOM 904 CB TYR A 59 -3.853 -5.182 7.486 1.00 0.00 C ATOM 905 CG TYR A 59 -3.279 -5.202 8.889 1.00 0.00 C ATOM 906 CD1 TYR A 59 -3.291 -4.059 9.681 1.00 0.00 C ATOM 907 CD2 TYR A 59 -2.746 -6.359 9.426 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.783 -4.076 10.961 1.00 0.00 C ATOM 909 CE2 TYR A 59 -2.238 -6.383 10.708 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.257 -5.240 11.470 1.00 0.00 C ATOM 911 OH TYR A 59 -1.750 -5.262 12.754 1.00 0.00 O ATOM 0 H TYR A 59 -2.935 -2.829 7.130 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.058 -5.504 6.334 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.698 -4.494 7.468 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.244 -6.174 7.258 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.705 -3.143 9.286 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.727 -7.260 8.831 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.798 -3.179 11.562 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.827 -7.297 11.111 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.418 -6.161 12.959 1.00 0.00 H new ATOM 921 N TRP A 60 -4.037 -5.915 4.548 1.00 0.00 N ATOM 922 CA TRP A 60 -4.791 -5.993 3.291 1.00 0.00 C ATOM 923 C TRP A 60 -6.090 -5.217 3.473 1.00 0.00 C ATOM 924 O TRP A 60 -6.940 -5.636 4.263 1.00 0.00 O ATOM 925 CB TRP A 60 -5.217 -7.433 2.924 1.00 0.00 C ATOM 926 CG TRP A 60 -4.269 -8.551 3.224 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.434 -9.473 4.206 1.00 0.00 C ATOM 928 CD2 TRP A 60 -3.045 -8.900 2.551 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.413 -10.371 4.190 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.540 -10.044 3.196 1.00 0.00 C ATOM 931 CE3 TRP A 60 -2.327 -8.367 1.480 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.358 -10.664 2.808 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -1.148 -8.991 1.101 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.681 -10.121 1.762 1.00 0.00 C ATOM 0 H TRP A 60 -3.869 -6.816 4.996 1.00 0.00 H new ATOM 0 HA TRP A 60 -4.140 -5.602 2.509 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.154 -7.644 3.439 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.429 -7.455 1.855 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.260 -9.491 4.902 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.316 -11.165 4.823 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.681 -7.490 0.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -0.992 -11.543 3.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -0.580 -8.590 0.274 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.242 -10.578 1.437 1.00 0.00 H new ATOM 945 N ASP A 61 -6.209 -4.079 2.788 1.00 0.00 N ATOM 946 CA ASP A 61 -7.414 -3.210 2.815 1.00 0.00 C ATOM 947 C ASP A 61 -8.007 -3.016 4.204 1.00 0.00 C ATOM 948 O ASP A 61 -9.197 -3.228 4.423 1.00 0.00 O ATOM 949 CB ASP A 61 -8.505 -3.595 1.766 1.00 0.00 C ATOM 950 CG ASP A 61 -9.026 -5.030 1.833 1.00 0.00 C ATOM 951 OD1 ASP A 61 -8.380 -5.952 1.291 1.00 0.00 O ATOM 952 OD2 ASP A 61 -10.124 -5.254 2.399 1.00 0.00 O ATOM 0 H ASP A 61 -5.468 -3.719 2.187 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.031 -2.237 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.350 -2.917 1.886 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.098 -3.424 0.769 1.00 0.00 H new ATOM 957 N SER A 62 -7.157 -2.622 5.141 1.00 0.00 N ATOM 958 CA SER A 62 -7.570 -2.401 6.511 1.00 0.00 C ATOM 959 C SER A 62 -8.579 -1.243 6.589 1.00 0.00 C ATOM 960 O SER A 62 -9.748 -1.432 6.920 1.00 0.00 O ATOM 961 CB SER A 62 -6.330 -2.144 7.370 1.00 0.00 C ATOM 962 OG SER A 62 -5.559 -1.056 6.847 1.00 0.00 O ATOM 0 H SER A 62 -6.167 -2.448 4.970 1.00 0.00 H new ATOM 0 HA SER A 62 -8.076 -3.286 6.896 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.632 -1.921 8.393 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.716 -3.044 7.408 1.00 0.00 H new ATOM 0 HG SER A 62 -4.866 -0.806 7.493 1.00 0.00 H new ATOM 968 N ASN A 63 -8.123 -0.052 6.267 1.00 0.00 N ATOM 969 CA ASN A 63 -9.007 1.105 6.233 1.00 0.00 C ATOM 970 C ASN A 63 -8.733 1.983 5.025 1.00 0.00 C ATOM 971 O ASN A 63 -9.642 2.585 4.475 1.00 0.00 O ATOM 972 CB ASN A 63 -8.952 1.947 7.534 1.00 0.00 C ATOM 973 CG ASN A 63 -7.597 2.579 7.813 1.00 0.00 C ATOM 974 OD1 ASN A 63 -7.300 3.676 7.348 1.00 0.00 O ATOM 975 ND2 ASN A 63 -6.781 1.909 8.585 1.00 0.00 N ATOM 0 H ASN A 63 -7.152 0.146 6.025 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.017 0.704 6.151 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.702 2.735 7.475 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.224 1.311 8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.866 2.296 8.818 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.059 1.000 8.955 1.00 0.00 H new ATOM 982 N ARG A 64 -7.486 2.041 4.580 1.00 0.00 N ATOM 983 CA ARG A 64 -7.167 2.909 3.453 1.00 0.00 C ATOM 984 C ARG A 64 -6.468 2.138 2.338 1.00 0.00 C ATOM 985 O ARG A 64 -5.836 2.712 1.489 1.00 0.00 O ATOM 986 CB ARG A 64 -6.287 4.111 3.893 1.00 0.00 C ATOM 987 CG ARG A 64 -4.774 3.869 3.945 1.00 0.00 C ATOM 988 CD ARG A 64 -4.356 2.985 5.079 1.00 0.00 C ATOM 989 NE ARG A 64 -4.569 3.650 6.369 1.00 0.00 N ATOM 990 CZ ARG A 64 -3.785 3.538 7.457 1.00 0.00 C ATOM 991 NH1 ARG A 64 -2.828 2.619 7.520 1.00 0.00 N ATOM 992 NH2 ARG A 64 -3.987 4.322 8.487 1.00 0.00 N ATOM 0 H ARG A 64 -6.701 1.517 4.966 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.113 3.293 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.477 4.940 3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.616 4.430 4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.452 3.420 3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.262 4.827 4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.923 2.054 5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.304 2.721 4.971 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.387 4.253 6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.678 1.984 6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.243 2.548 8.353 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.736 5.014 8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.395 4.241 9.314 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.598 0.858 2.316 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.902 0.092 1.298 1.00 0.00 C ATOM 1008 C LEU A 65 -6.869 -0.522 0.314 1.00 0.00 C ATOM 1009 O LEU A 65 -7.995 -0.830 0.676 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.949 -0.942 1.930 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.452 -0.607 1.846 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -3.009 -0.554 0.409 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.152 0.718 2.503 1.00 0.00 C ATOM 0 H LEU A 65 -7.162 0.313 2.968 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.277 0.777 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.217 -1.062 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.115 -1.905 1.446 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.908 -1.392 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.946 -0.316 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.184 -1.521 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.575 0.214 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.085 0.928 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.713 1.507 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.441 0.677 3.553 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.460 -0.612 -0.932 1.00 0.00 N ATOM 1026 CA ARG A 66 -7.268 -1.196 -1.974 1.00 0.00 C ATOM 1027 C ARG A 66 -6.412 -2.053 -2.907 1.00 0.00 C ATOM 1028 O ARG A 66 -5.417 -1.561 -3.543 1.00 0.00 O ATOM 1029 CB ARG A 66 -8.013 -0.116 -2.761 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.879 -0.645 -3.881 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.732 0.454 -4.475 1.00 0.00 C ATOM 1032 NE ARG A 66 -10.539 -0.036 -5.593 1.00 0.00 N ATOM 1033 CZ ARG A 66 -11.873 -0.166 -5.578 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -12.557 0.116 -4.475 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -12.508 -0.586 -6.664 1.00 0.00 N ATOM 0 H ARG A 66 -5.550 -0.279 -1.251 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.010 -1.841 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.638 0.452 -2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.285 0.580 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.250 -1.081 -4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.519 -1.443 -3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.386 0.864 -3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.092 1.268 -4.816 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.049 -0.298 -6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.067 0.432 -3.638 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.572 0.017 -4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.981 -0.809 -7.508 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.523 -0.686 -6.655 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.711 -3.357 -2.951 1.00 0.00 N ATOM 1050 CA PRO A 67 -6.053 -4.271 -3.812 1.00 0.00 C ATOM 1051 C PRO A 67 -6.719 -4.462 -5.149 1.00 0.00 C ATOM 1052 O PRO A 67 -7.644 -5.262 -5.287 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.052 -5.575 -3.049 1.00 0.00 C ATOM 1054 CG PRO A 67 -6.975 -5.380 -1.878 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.668 -4.064 -2.094 1.00 0.00 C ATOM 0 HA PRO A 67 -5.061 -3.893 -4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.393 -6.395 -3.681 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.046 -5.828 -2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.698 -6.193 -1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -6.417 -5.376 -0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.637 -4.187 -2.578 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.845 -3.536 -1.157 1.00 0.00 H new ATOM 1063 N LEU A 68 -6.283 -3.658 -6.093 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.604 -3.781 -7.532 1.00 0.00 C ATOM 1065 C LEU A 68 -8.078 -3.476 -7.870 1.00 0.00 C ATOM 1066 O LEU A 68 -8.390 -2.468 -8.517 1.00 0.00 O ATOM 1067 CB LEU A 68 -6.193 -5.202 -8.010 1.00 0.00 C ATOM 1068 CG LEU A 68 -6.426 -5.580 -9.472 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -5.753 -4.594 -10.400 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -5.888 -6.982 -9.723 1.00 0.00 C ATOM 0 H LEU A 68 -5.672 -2.866 -5.892 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.035 -3.021 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.130 -5.326 -7.802 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.726 -5.925 -7.393 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.497 -5.556 -9.673 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.934 -4.886 -11.434 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.159 -3.597 -10.228 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.680 -4.587 -10.208 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.053 -7.254 -10.766 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.820 -7.006 -9.507 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.405 -7.691 -9.077 1.00 0.00 H new ATOM 1082 N GLU A 69 -8.930 -4.321 -7.374 1.00 0.00 N ATOM 1083 CA GLU A 69 -10.364 -4.373 -7.625 1.00 0.00 C ATOM 1084 C GLU A 69 -10.824 -5.706 -7.086 1.00 0.00 C ATOM 1085 O GLU A 69 -12.008 -5.921 -6.823 1.00 0.00 O ATOM 1086 CB GLU A 69 -10.706 -4.316 -9.141 1.00 0.00 C ATOM 1087 CG GLU A 69 -10.122 -5.457 -9.975 1.00 0.00 C ATOM 1088 CD GLU A 69 -10.564 -5.420 -11.408 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -10.005 -4.628 -12.198 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -11.451 -6.196 -11.789 1.00 0.00 O ATOM 0 H GLU A 69 -8.631 -5.055 -6.732 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.849 -3.518 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.790 -4.320 -9.255 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.347 -3.369 -9.545 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.034 -5.409 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.416 -6.410 -9.534 1.00 0.00 H new ATOM 1097 N ARG A 70 -9.832 -6.596 -6.924 1.00 0.00 N ATOM 1098 CA ARG A 70 -10.005 -7.955 -6.508 1.00 0.00 C ATOM 1099 C ARG A 70 -10.786 -8.715 -7.559 1.00 0.00 C ATOM 1100 O ARG A 70 -12.017 -8.786 -7.520 1.00 0.00 O ATOM 1101 CB ARG A 70 -10.594 -8.087 -5.098 1.00 0.00 C ATOM 1102 CG ARG A 70 -9.675 -7.540 -4.021 1.00 0.00 C ATOM 1103 CD ARG A 70 -10.265 -7.686 -2.637 1.00 0.00 C ATOM 1104 NE ARG A 70 -11.507 -6.918 -2.462 1.00 0.00 N ATOM 1105 CZ ARG A 70 -11.826 -6.243 -1.354 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -10.985 -6.214 -0.324 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -12.983 -5.600 -1.272 1.00 0.00 N ATOM 0 H ARG A 70 -8.855 -6.356 -7.092 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.019 -8.412 -6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.547 -7.560 -5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.801 -9.137 -4.893 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.719 -8.061 -4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.473 -6.487 -4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.464 -8.740 -2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.533 -7.358 -1.899 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.169 -6.899 -3.238 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.094 -6.708 -0.379 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.231 -5.698 0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.634 -5.619 -2.057 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.222 -5.086 -0.424 1.00 0.00 H new TER 1121 ARG A 70