USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 422 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 9 CYS SG : rot 1:sc= -1.05 USER MOD Single : A 10 CYS SG : rot -49:sc= -0.49 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -45:sc= 1.04 USER MOD Single : A 36 ASN : amide:sc= -0.866 X(o=-0.87,f=-0.4) USER MOD Single : A 37 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.8) USER MOD Single : A 41 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc=-0.00403 X(o=-0.004,f=-0.0089) USER MOD Single : A 50 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.16) USER MOD Single : A 51 SER OG : rot 33:sc= 0.872 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 9.408 1.861 9.441 1.00 0.00 N ATOM 60 CA GLY A 7 8.876 2.966 8.665 1.00 0.00 C ATOM 61 C GLY A 7 7.393 2.820 8.390 1.00 0.00 C ATOM 62 O GLY A 7 6.740 1.890 8.865 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.053 3.900 9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.413 3.033 7.719 1.00 0.00 H new ATOM 66 N PRO A 8 6.837 3.756 7.606 1.00 0.00 N ATOM 67 CA PRO A 8 5.415 3.750 7.252 1.00 0.00 C ATOM 68 C PRO A 8 5.057 2.607 6.308 1.00 0.00 C ATOM 69 O PRO A 8 5.515 2.568 5.165 1.00 0.00 O ATOM 70 CB PRO A 8 5.216 5.099 6.558 1.00 0.00 C ATOM 71 CG PRO A 8 6.561 5.453 6.026 1.00 0.00 C ATOM 72 CD PRO A 8 7.555 4.892 7.005 1.00 0.00 C ATOM 0 HA PRO A 8 4.779 3.607 8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.480 5.028 5.757 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.855 5.854 7.256 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.711 5.031 5.032 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.672 6.533 5.933 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.471 4.571 6.509 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.840 5.629 7.755 1.00 0.00 H new ATOM 80 N CYS A 9 4.239 1.680 6.792 1.00 0.00 N ATOM 81 CA CYS A 9 3.820 0.535 5.990 1.00 0.00 C ATOM 82 C CYS A 9 2.342 0.229 6.209 1.00 0.00 C ATOM 83 O CYS A 9 1.706 0.796 7.098 1.00 0.00 O ATOM 84 CB CYS A 9 4.665 -0.692 6.335 1.00 0.00 C ATOM 85 SG CYS A 9 6.412 -0.532 5.898 1.00 0.00 S ATOM 0 H CYS A 9 3.852 1.698 7.736 1.00 0.00 H new ATOM 0 HA CYS A 9 3.968 0.785 4.939 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.585 -0.885 7.405 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.251 -1.560 5.822 1.00 0.00 H new ATOM 0 HG CYS A 9 6.624 0.642 5.381 1.00 0.00 H new ATOM 91 N CYS A 10 1.803 -0.670 5.393 1.00 0.00 N ATOM 92 CA CYS A 10 0.398 -1.050 5.497 1.00 0.00 C ATOM 93 C CYS A 10 0.250 -2.566 5.574 1.00 0.00 C ATOM 94 O CYS A 10 1.206 -3.306 5.340 1.00 0.00 O ATOM 95 CB CYS A 10 -0.387 -0.509 4.301 1.00 0.00 C ATOM 96 SG CYS A 10 0.083 -1.242 2.716 1.00 0.00 S ATOM 0 H CYS A 10 2.316 -1.149 4.653 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.004 -0.617 6.413 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.450 -0.684 4.469 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.246 0.570 4.246 1.00 0.00 H new ATOM 0 HG CYS A 10 1.376 -1.209 2.589 1.00 0.00 H new ATOM 102 N ARG A 11 -0.954 -3.022 5.905 1.00 0.00 N ATOM 103 CA ARG A 11 -1.227 -4.449 6.017 1.00 0.00 C ATOM 104 C ARG A 11 -2.320 -4.872 5.040 1.00 0.00 C ATOM 105 O ARG A 11 -3.323 -4.177 4.877 1.00 0.00 O ATOM 106 CB ARG A 11 -1.641 -4.801 7.447 1.00 0.00 C ATOM 107 CG ARG A 11 -1.805 -6.293 7.684 1.00 0.00 C ATOM 108 CD ARG A 11 -1.663 -6.643 9.157 1.00 0.00 C ATOM 109 NE ARG A 11 -2.063 -8.019 9.434 1.00 0.00 N ATOM 110 CZ ARG A 11 -1.676 -8.694 10.511 1.00 0.00 C ATOM 111 NH1 ARG A 11 -0.883 -8.122 11.407 1.00 0.00 N ATOM 112 NH2 ARG A 11 -2.082 -9.944 10.693 1.00 0.00 N ATOM 0 H ARG A 11 -1.756 -2.423 6.100 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.313 -4.988 5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.894 -4.412 8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.581 -4.300 7.678 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.783 -6.614 7.326 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.059 -6.838 7.106 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.628 -6.497 9.466 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.272 -5.962 9.752 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.673 -8.488 8.764 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.569 -7.161 11.270 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.588 -8.643 12.233 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.692 -10.387 10.006 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.784 -10.462 11.520 1.00 0.00 H new ATOM 126 N ALA A 12 -2.119 -6.015 4.393 1.00 0.00 N ATOM 127 CA ALA A 12 -3.089 -6.531 3.434 1.00 0.00 C ATOM 128 C ALA A 12 -4.191 -7.316 4.136 1.00 0.00 C ATOM 129 O ALA A 12 -3.919 -8.272 4.864 1.00 0.00 O ATOM 130 CB ALA A 12 -2.394 -7.402 2.399 1.00 0.00 C ATOM 0 H ALA A 12 -1.293 -6.602 4.515 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.550 -5.683 2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.129 -7.781 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.648 -6.811 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.906 -8.240 2.897 1.00 0.00 H new ATOM 136 N LEU A 13 -5.435 -6.908 3.914 1.00 0.00 N ATOM 137 CA LEU A 13 -6.580 -7.574 4.527 1.00 0.00 C ATOM 138 C LEU A 13 -7.050 -8.746 3.671 1.00 0.00 C ATOM 139 O LEU A 13 -7.442 -9.790 4.193 1.00 0.00 O ATOM 140 CB LEU A 13 -7.726 -6.581 4.725 1.00 0.00 C ATOM 141 CG LEU A 13 -7.420 -5.369 5.607 1.00 0.00 C ATOM 142 CD1 LEU A 13 -8.490 -4.302 5.438 1.00 0.00 C ATOM 143 CD2 LEU A 13 -7.306 -5.786 7.066 1.00 0.00 C ATOM 0 H LEU A 13 -5.677 -6.119 3.314 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.269 -7.959 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.042 -6.222 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.572 -7.115 5.157 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.464 -4.949 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.255 -3.448 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.523 -3.982 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.459 -4.711 5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.088 -4.911 7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.246 -6.232 7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.502 -6.514 7.175 1.00 0.00 H new ATOM 155 N TYR A 14 -7.005 -8.567 2.356 1.00 0.00 N ATOM 156 CA TYR A 14 -7.426 -9.610 1.428 1.00 0.00 C ATOM 157 C TYR A 14 -6.391 -9.807 0.324 1.00 0.00 C ATOM 158 O TYR A 14 -5.361 -9.134 0.296 1.00 0.00 O ATOM 159 CB TYR A 14 -8.782 -9.258 0.815 1.00 0.00 C ATOM 160 CG TYR A 14 -9.927 -9.319 1.800 1.00 0.00 C ATOM 161 CD1 TYR A 14 -10.143 -8.290 2.708 1.00 0.00 C ATOM 162 CD2 TYR A 14 -10.792 -10.406 1.825 1.00 0.00 C ATOM 163 CE1 TYR A 14 -11.187 -8.341 3.612 1.00 0.00 C ATOM 164 CE2 TYR A 14 -11.839 -10.465 2.724 1.00 0.00 C ATOM 165 CZ TYR A 14 -12.032 -9.431 3.615 1.00 0.00 C ATOM 166 OH TYR A 14 -13.074 -9.487 4.513 1.00 0.00 O ATOM 0 H TYR A 14 -6.681 -7.710 1.908 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.518 -10.542 1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.731 -8.255 0.393 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.987 -9.941 -0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.483 -7.435 2.707 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.643 -11.219 1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.340 -7.533 4.312 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -12.503 -11.317 2.729 1.00 0.00 H new ATOM 0 HH TYR A 14 -13.574 -10.320 4.383 1.00 0.00 H new ATOM 176 N ASP A 15 -6.675 -10.734 -0.584 1.00 0.00 N ATOM 177 CA ASP A 15 -5.771 -11.020 -1.692 1.00 0.00 C ATOM 178 C ASP A 15 -6.225 -10.306 -2.962 1.00 0.00 C ATOM 179 O ASP A 15 -7.398 -10.358 -3.330 1.00 0.00 O ATOM 180 CB ASP A 15 -5.694 -12.528 -1.940 1.00 0.00 C ATOM 181 CG ASP A 15 -5.353 -13.304 -0.683 1.00 0.00 C ATOM 182 OD1 ASP A 15 -6.042 -13.110 0.340 1.00 0.00 O ATOM 183 OD2 ASP A 15 -4.395 -14.104 -0.722 1.00 0.00 O ATOM 0 H ASP A 15 -7.524 -11.300 -0.575 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.780 -10.653 -1.424 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.649 -12.878 -2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.943 -12.730 -2.703 1.00 0.00 H new ATOM 188 N PHE A 16 -5.287 -9.639 -3.627 1.00 0.00 N ATOM 189 CA PHE A 16 -5.591 -8.913 -4.854 1.00 0.00 C ATOM 190 C PHE A 16 -4.715 -9.399 -6.005 1.00 0.00 C ATOM 191 O PHE A 16 -3.700 -10.060 -5.789 1.00 0.00 O ATOM 192 CB PHE A 16 -5.390 -7.410 -4.645 1.00 0.00 C ATOM 193 CG PHE A 16 -5.504 -6.609 -5.911 1.00 0.00 C ATOM 194 CD1 PHE A 16 -6.714 -6.510 -6.578 1.00 0.00 C ATOM 195 CD2 PHE A 16 -4.400 -5.954 -6.433 1.00 0.00 C ATOM 196 CE1 PHE A 16 -6.821 -5.774 -7.742 1.00 0.00 C ATOM 197 CE2 PHE A 16 -4.500 -5.216 -7.597 1.00 0.00 C ATOM 198 CZ PHE A 16 -5.713 -5.125 -8.252 1.00 0.00 C ATOM 0 H PHE A 16 -4.311 -9.587 -3.337 1.00 0.00 H new ATOM 0 HA PHE A 16 -6.634 -9.102 -5.109 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -6.128 -7.049 -3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.408 -7.241 -4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -7.584 -7.014 -6.183 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.450 -6.021 -5.924 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -7.770 -5.706 -8.253 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.632 -4.711 -7.994 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.795 -4.548 -9.161 1.00 0.00 H new ATOM 208 N GLU A 17 -5.117 -9.067 -7.228 1.00 0.00 N ATOM 209 CA GLU A 17 -4.369 -9.471 -8.413 1.00 0.00 C ATOM 210 C GLU A 17 -4.187 -8.295 -9.368 1.00 0.00 C ATOM 211 O GLU A 17 -5.062 -7.443 -9.518 1.00 0.00 O ATOM 212 CB GLU A 17 -5.086 -10.618 -9.129 1.00 0.00 C ATOM 213 CG GLU A 17 -5.165 -11.893 -8.307 1.00 0.00 C ATOM 214 CD GLU A 17 -5.987 -11.723 -7.044 1.00 0.00 C ATOM 215 OE1 GLU A 17 -7.036 -11.048 -7.106 1.00 0.00 O ATOM 216 OE2 GLU A 17 -5.581 -12.264 -5.994 1.00 0.00 O ATOM 0 H GLU A 17 -5.955 -8.520 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.385 -9.812 -8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.096 -10.299 -9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.569 -10.830 -10.065 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.600 -12.686 -8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.157 -12.212 -8.040 1.00 0.00 H new ATOM 223 N PRO A 18 -3.021 -8.247 -10.031 1.00 0.00 N ATOM 224 CA PRO A 18 -2.695 -7.181 -10.983 1.00 0.00 C ATOM 225 C PRO A 18 -3.529 -7.268 -12.257 1.00 0.00 C ATOM 226 O PRO A 18 -3.610 -8.323 -12.885 1.00 0.00 O ATOM 227 CB PRO A 18 -1.216 -7.423 -11.293 1.00 0.00 C ATOM 228 CG PRO A 18 -1.007 -8.874 -11.032 1.00 0.00 C ATOM 229 CD PRO A 18 -1.932 -9.229 -9.901 1.00 0.00 C ATOM 0 HA PRO A 18 -2.902 -6.192 -10.575 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.981 -7.169 -12.327 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.574 -6.810 -10.661 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.230 -9.466 -11.919 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.030 -9.077 -10.766 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.300 -10.251 -9.988 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.434 -9.151 -8.935 1.00 0.00 H new ATOM 288 N GLU A 23 -0.231 -1.967 -11.668 1.00 0.00 N ATOM 289 CA GLU A 23 -0.922 -2.660 -10.587 1.00 0.00 C ATOM 290 C GLU A 23 0.024 -3.608 -9.855 1.00 0.00 C ATOM 291 O GLU A 23 0.739 -4.394 -10.479 1.00 0.00 O ATOM 292 CB GLU A 23 -2.120 -3.440 -11.134 1.00 0.00 C ATOM 293 CG GLU A 23 -3.257 -2.552 -11.610 1.00 0.00 C ATOM 294 CD GLU A 23 -4.050 -1.955 -10.464 1.00 0.00 C ATOM 295 OE1 GLU A 23 -4.275 -2.666 -9.463 1.00 0.00 O ATOM 296 OE2 GLU A 23 -4.445 -0.774 -10.569 1.00 0.00 O ATOM 0 HA GLU A 23 -1.277 -1.911 -9.879 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.788 -4.066 -11.962 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.493 -4.109 -10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.852 -1.748 -12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.925 -3.133 -12.245 1.00 0.00 H new ATOM 303 N LEU A 24 0.024 -3.527 -8.529 1.00 0.00 N ATOM 304 CA LEU A 24 0.882 -4.377 -7.711 1.00 0.00 C ATOM 305 C LEU A 24 0.052 -5.335 -6.863 1.00 0.00 C ATOM 306 O LEU A 24 -0.487 -4.954 -5.825 1.00 0.00 O ATOM 307 CB LEU A 24 1.771 -3.519 -6.808 1.00 0.00 C ATOM 308 CG LEU A 24 2.609 -4.275 -5.777 1.00 0.00 C ATOM 309 CD1 LEU A 24 3.912 -4.756 -6.397 1.00 0.00 C ATOM 310 CD2 LEU A 24 2.885 -3.396 -4.566 1.00 0.00 C ATOM 0 H LEU A 24 -0.560 -2.882 -7.998 1.00 0.00 H new ATOM 0 HA LEU A 24 1.511 -4.965 -8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.444 -2.940 -7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.138 -2.806 -6.280 1.00 0.00 H new ATOM 0 HG LEU A 24 2.044 -5.147 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.495 -5.292 -5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.694 -5.422 -7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.482 -3.899 -6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.483 -3.951 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.429 -2.505 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.941 -3.102 -4.107 1.00 0.00 H new ATOM 322 N GLY A 25 -0.046 -6.583 -7.314 1.00 0.00 N ATOM 323 CA GLY A 25 -0.811 -7.577 -6.584 1.00 0.00 C ATOM 324 C GLY A 25 -0.234 -7.858 -5.210 1.00 0.00 C ATOM 325 O GLY A 25 0.981 -7.974 -5.051 1.00 0.00 O ATOM 0 H GLY A 25 0.391 -6.922 -8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.840 -7.234 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.840 -8.503 -7.159 1.00 0.00 H new ATOM 329 N PHE A 26 -1.108 -7.967 -4.215 1.00 0.00 N ATOM 330 CA PHE A 26 -0.678 -8.233 -2.847 1.00 0.00 C ATOM 331 C PHE A 26 -1.358 -9.485 -2.298 1.00 0.00 C ATOM 332 O PHE A 26 -2.205 -10.086 -2.958 1.00 0.00 O ATOM 333 CB PHE A 26 -0.990 -7.034 -1.949 1.00 0.00 C ATOM 334 CG PHE A 26 -2.411 -6.559 -2.055 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.463 -7.402 -1.735 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.695 -5.270 -2.475 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.772 -6.968 -1.830 1.00 0.00 C ATOM 338 CE2 PHE A 26 -4.001 -4.830 -2.573 1.00 0.00 C ATOM 339 CZ PHE A 26 -5.041 -5.681 -2.251 1.00 0.00 C ATOM 0 H PHE A 26 -2.117 -7.875 -4.330 1.00 0.00 H new ATOM 0 HA PHE A 26 0.399 -8.400 -2.857 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.781 -7.302 -0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.321 -6.213 -2.207 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.258 -8.410 -1.407 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.886 -4.601 -2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.583 -7.634 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.209 -3.822 -2.901 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.063 -5.340 -2.329 1.00 0.00 H new ATOM 349 N LYS A 27 -0.980 -9.872 -1.084 1.00 0.00 N ATOM 350 CA LYS A 27 -1.551 -11.050 -0.444 1.00 0.00 C ATOM 351 C LYS A 27 -1.783 -10.803 1.044 1.00 0.00 C ATOM 352 O LYS A 27 -0.861 -10.435 1.771 1.00 0.00 O ATOM 353 CB LYS A 27 -0.629 -12.257 -0.634 1.00 0.00 C ATOM 354 CG LYS A 27 -0.856 -12.996 -1.941 1.00 0.00 C ATOM 355 CD LYS A 27 0.013 -12.437 -3.055 1.00 0.00 C ATOM 356 CE LYS A 27 1.362 -13.137 -3.115 1.00 0.00 C ATOM 357 NZ LYS A 27 2.415 -12.261 -3.699 1.00 0.00 N ATOM 0 H LYS A 27 -0.280 -9.386 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.512 -11.257 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.407 -11.922 -0.591 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.775 -12.949 0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.637 -14.055 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.906 -12.921 -2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.500 -12.551 -4.010 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.163 -11.369 -2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.658 -13.441 -2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.274 -14.046 -3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.319 -12.774 -3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.145 -11.991 -4.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.517 -11.406 -3.116 1.00 0.00 H new ATOM 371 N GLU A 28 -3.019 -11.009 1.488 1.00 0.00 N ATOM 372 CA GLU A 28 -3.369 -10.808 2.889 1.00 0.00 C ATOM 373 C GLU A 28 -2.206 -11.190 3.801 1.00 0.00 C ATOM 374 O GLU A 28 -1.596 -12.245 3.638 1.00 0.00 O ATOM 375 CB GLU A 28 -4.607 -11.632 3.251 1.00 0.00 C ATOM 376 CG GLU A 28 -4.956 -11.587 4.729 1.00 0.00 C ATOM 377 CD GLU A 28 -6.115 -12.500 5.082 1.00 0.00 C ATOM 378 OE1 GLU A 28 -6.378 -13.448 4.313 1.00 0.00 O ATOM 379 OE2 GLU A 28 -6.758 -12.266 6.126 1.00 0.00 O ATOM 0 H GLU A 28 -3.793 -11.314 0.899 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.589 -9.750 3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.457 -11.268 2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.442 -12.668 2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.082 -11.873 5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.206 -10.564 5.009 1.00 0.00 H new ATOM 386 N GLY A 29 -1.905 -10.321 4.762 1.00 0.00 N ATOM 387 CA GLY A 29 -0.817 -10.584 5.685 1.00 0.00 C ATOM 388 C GLY A 29 0.477 -9.920 5.259 1.00 0.00 C ATOM 389 O GLY A 29 1.249 -9.453 6.097 1.00 0.00 O ATOM 0 H GLY A 29 -2.395 -9.440 4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.094 -10.230 6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.662 -11.660 5.762 1.00 0.00 H new ATOM 393 N ASP A 30 0.717 -9.878 3.953 1.00 0.00 N ATOM 394 CA ASP A 30 1.928 -9.267 3.417 1.00 0.00 C ATOM 395 C ASP A 30 1.926 -7.759 3.653 1.00 0.00 C ATOM 396 O ASP A 30 0.955 -7.073 3.332 1.00 0.00 O ATOM 397 CB ASP A 30 2.055 -9.561 1.922 1.00 0.00 C ATOM 398 CG ASP A 30 2.566 -10.962 1.649 1.00 0.00 C ATOM 399 OD1 ASP A 30 3.726 -11.251 2.012 1.00 0.00 O ATOM 400 OD2 ASP A 30 1.808 -11.769 1.072 1.00 0.00 O ATOM 0 H ASP A 30 0.089 -10.260 3.246 1.00 0.00 H new ATOM 0 HA ASP A 30 2.783 -9.697 3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.083 -9.433 1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.731 -8.836 1.468 1.00 0.00 H new ATOM 405 N ILE A 31 3.017 -7.252 4.216 1.00 0.00 N ATOM 406 CA ILE A 31 3.140 -5.827 4.495 1.00 0.00 C ATOM 407 C ILE A 31 3.785 -5.092 3.325 1.00 0.00 C ATOM 408 O ILE A 31 4.916 -5.391 2.939 1.00 0.00 O ATOM 409 CB ILE A 31 3.969 -5.571 5.767 1.00 0.00 C ATOM 410 CG1 ILE A 31 3.405 -6.375 6.940 1.00 0.00 C ATOM 411 CG2 ILE A 31 3.990 -4.086 6.097 1.00 0.00 C ATOM 412 CD1 ILE A 31 1.960 -6.053 7.254 1.00 0.00 C ATOM 0 H ILE A 31 3.829 -7.807 4.488 1.00 0.00 H new ATOM 0 HA ILE A 31 2.130 -5.447 4.648 1.00 0.00 H new ATOM 0 HB ILE A 31 4.993 -5.897 5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.492 -7.438 6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.012 -6.185 7.825 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.580 -3.922 6.999 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.434 -3.535 5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.971 -3.735 6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.627 -6.660 8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.870 -4.997 7.509 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.341 -6.270 6.383 1.00 0.00 H new ATOM 424 N ILE A 32 3.061 -4.129 2.766 1.00 0.00 N ATOM 425 CA ILE A 32 3.564 -3.349 1.642 1.00 0.00 C ATOM 426 C ILE A 32 4.102 -2.000 2.106 1.00 0.00 C ATOM 427 O ILE A 32 3.377 -1.200 2.699 1.00 0.00 O ATOM 428 CB ILE A 32 2.470 -3.116 0.583 1.00 0.00 C ATOM 429 CG1 ILE A 32 1.910 -4.453 0.094 1.00 0.00 C ATOM 430 CG2 ILE A 32 3.023 -2.310 -0.582 1.00 0.00 C ATOM 431 CD1 ILE A 32 0.767 -4.974 0.937 1.00 0.00 C ATOM 0 H ILE A 32 2.124 -3.870 3.073 1.00 0.00 H new ATOM 0 HA ILE A 32 4.373 -3.926 1.195 1.00 0.00 H new ATOM 0 HB ILE A 32 1.659 -2.549 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.570 -4.340 -0.935 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.711 -5.192 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.238 -2.154 -1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.378 -1.345 -0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.850 -2.853 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.420 -5.925 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.108 -5.119 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.051 -4.254 0.925 1.00 0.00 H new ATOM 443 N THR A 33 5.378 -1.751 1.830 1.00 0.00 N ATOM 444 CA THR A 33 6.014 -0.498 2.218 1.00 0.00 C ATOM 445 C THR A 33 5.284 0.698 1.618 1.00 0.00 C ATOM 446 O THR A 33 4.534 0.559 0.652 1.00 0.00 O ATOM 447 CB THR A 33 7.490 -0.458 1.780 1.00 0.00 C ATOM 448 OG1 THR A 33 8.160 -1.650 2.204 1.00 0.00 O ATOM 449 CG2 THR A 33 8.194 0.760 2.359 1.00 0.00 C ATOM 0 H THR A 33 5.992 -2.401 1.339 1.00 0.00 H new ATOM 0 HA THR A 33 5.964 -0.442 3.305 1.00 0.00 H new ATOM 0 HB THR A 33 7.521 -0.392 0.692 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.097 -1.617 1.920 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.235 0.766 2.036 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.700 1.666 2.009 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.152 0.721 3.448 1.00 0.00 H new ATOM 457 N LEU A 34 5.509 1.873 2.196 1.00 0.00 N ATOM 458 CA LEU A 34 4.873 3.095 1.717 1.00 0.00 C ATOM 459 C LEU A 34 5.916 4.159 1.389 1.00 0.00 C ATOM 460 O LEU A 34 6.821 4.423 2.182 1.00 0.00 O ATOM 461 CB LEU A 34 3.895 3.629 2.765 1.00 0.00 C ATOM 462 CG LEU A 34 2.762 2.684 3.167 1.00 0.00 C ATOM 463 CD1 LEU A 34 2.103 3.159 4.453 1.00 0.00 C ATOM 464 CD2 LEU A 34 1.736 2.575 2.049 1.00 0.00 C ATOM 0 H LEU A 34 6.127 2.005 2.997 1.00 0.00 H new ATOM 0 HA LEU A 34 4.325 2.857 0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.459 3.889 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.455 4.551 2.386 1.00 0.00 H new ATOM 0 HG LEU A 34 3.185 1.695 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.299 2.475 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.843 3.185 5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.694 4.158 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.937 1.898 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.318 3.560 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.217 2.188 1.150 1.00 0.00 H new ATOM 476 N THR A 35 5.782 4.770 0.216 1.00 0.00 N ATOM 477 CA THR A 35 6.711 5.807 -0.216 1.00 0.00 C ATOM 478 C THR A 35 5.974 7.095 -0.564 1.00 0.00 C ATOM 479 O THR A 35 6.364 8.180 -0.134 1.00 0.00 O ATOM 480 CB THR A 35 7.531 5.352 -1.438 1.00 0.00 C ATOM 481 OG1 THR A 35 6.653 4.970 -2.503 1.00 0.00 O ATOM 482 CG2 THR A 35 8.437 4.184 -1.077 1.00 0.00 C ATOM 0 H THR A 35 5.039 4.565 -0.452 1.00 0.00 H new ATOM 0 HA THR A 35 7.388 5.993 0.618 1.00 0.00 H new ATOM 0 HB THR A 35 8.152 6.187 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.933 4.408 -2.148 1.00 0.00 H new ATOM 0 HG21 THR A 35 9.006 3.880 -1.955 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.124 4.487 -0.287 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.831 3.347 -0.730 1.00 0.00 H new ATOM 490 N ASN A 36 4.906 6.968 -1.345 1.00 0.00 N ATOM 491 CA ASN A 36 4.115 8.124 -1.751 1.00 0.00 C ATOM 492 C ASN A 36 2.721 7.698 -2.201 1.00 0.00 C ATOM 493 O ASN A 36 2.430 6.506 -2.307 1.00 0.00 O ATOM 494 CB ASN A 36 4.818 8.880 -2.880 1.00 0.00 C ATOM 495 CG ASN A 36 4.457 10.352 -2.903 1.00 0.00 C ATOM 496 OD1 ASN A 36 4.976 11.143 -2.115 1.00 0.00 O ATOM 497 ND2 ASN A 36 3.562 10.728 -3.809 1.00 0.00 N ATOM 0 H ASN A 36 4.569 6.077 -1.709 1.00 0.00 H new ATOM 0 HA ASN A 36 4.014 8.784 -0.889 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.897 8.775 -2.767 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.552 8.429 -3.836 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.279 11.706 -3.871 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.157 10.039 -4.443 1.00 0.00 H new ATOM 504 N GLN A 37 1.864 8.679 -2.464 1.00 0.00 N ATOM 505 CA GLN A 37 0.500 8.405 -2.903 1.00 0.00 C ATOM 506 C GLN A 37 0.194 9.126 -4.211 1.00 0.00 C ATOM 507 O GLN A 37 0.545 10.293 -4.384 1.00 0.00 O ATOM 508 CB GLN A 37 -0.499 8.830 -1.826 1.00 0.00 C ATOM 509 CG GLN A 37 -1.943 8.833 -2.303 1.00 0.00 C ATOM 510 CD GLN A 37 -2.869 9.569 -1.356 1.00 0.00 C ATOM 511 OE1 GLN A 37 -2.518 10.618 -0.816 1.00 0.00 O ATOM 512 NE2 GLN A 37 -4.061 9.021 -1.148 1.00 0.00 N ATOM 0 H GLN A 37 2.089 9.670 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 37 0.407 7.332 -3.071 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.408 8.158 -0.973 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.239 9.829 -1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.995 9.296 -3.289 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.287 7.805 -2.415 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.311 8.150 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.727 9.471 -0.520 1.00 0.00 H new ATOM 521 N ILE A 38 -0.461 8.423 -5.129 1.00 0.00 N ATOM 522 CA ILE A 38 -0.815 8.997 -6.421 1.00 0.00 C ATOM 523 C ILE A 38 -2.305 9.316 -6.492 1.00 0.00 C ATOM 524 O ILE A 38 -2.700 10.391 -6.945 1.00 0.00 O ATOM 525 CB ILE A 38 -0.449 8.049 -7.578 1.00 0.00 C ATOM 526 CG1 ILE A 38 1.070 7.892 -7.676 1.00 0.00 C ATOM 527 CG2 ILE A 38 -1.019 8.568 -8.889 1.00 0.00 C ATOM 528 CD1 ILE A 38 1.617 6.769 -6.823 1.00 0.00 C ATOM 0 H ILE A 38 -0.757 7.455 -5.002 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.243 9.919 -6.523 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.885 7.070 -7.378 1.00 0.00 H new ATOM 0 HG12 ILE A 38 1.342 7.713 -8.716 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.544 8.827 -7.379 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.752 7.887 -9.697 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.104 8.633 -8.813 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.610 9.557 -9.098 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.699 6.716 -6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.376 6.956 -5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.171 5.825 -7.135 1.00 0.00 H new ATOM 540 N ASP A 39 -3.127 8.376 -6.039 1.00 0.00 N ATOM 541 CA ASP A 39 -4.574 8.557 -6.048 1.00 0.00 C ATOM 542 C ASP A 39 -5.096 8.836 -4.642 1.00 0.00 C ATOM 543 O ASP A 39 -4.320 8.943 -3.693 1.00 0.00 O ATOM 544 CB ASP A 39 -5.261 7.317 -6.623 1.00 0.00 C ATOM 545 CG ASP A 39 -4.564 6.791 -7.863 1.00 0.00 C ATOM 546 OD1 ASP A 39 -4.610 7.477 -8.906 1.00 0.00 O ATOM 547 OD2 ASP A 39 -3.971 5.695 -7.789 1.00 0.00 O ATOM 0 H ASP A 39 -2.816 7.481 -5.661 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.804 9.416 -6.679 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.286 6.535 -5.864 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.296 7.558 -6.866 1.00 0.00 H new ATOM 552 N GLU A 40 -6.414 8.955 -4.518 1.00 0.00 N ATOM 553 CA GLU A 40 -7.038 9.224 -3.228 1.00 0.00 C ATOM 554 C GLU A 40 -7.378 7.923 -2.506 1.00 0.00 C ATOM 555 O GLU A 40 -7.672 7.922 -1.312 1.00 0.00 O ATOM 556 CB GLU A 40 -8.303 10.064 -3.413 1.00 0.00 C ATOM 557 CG GLU A 40 -9.413 9.336 -4.154 1.00 0.00 C ATOM 558 CD GLU A 40 -10.395 10.286 -4.813 1.00 0.00 C ATOM 559 OE1 GLU A 40 -9.988 11.417 -5.153 1.00 0.00 O ATOM 560 OE2 GLU A 40 -11.569 9.899 -4.987 1.00 0.00 O ATOM 0 H GLU A 40 -7.070 8.869 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.327 9.782 -2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.672 10.371 -2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.049 10.973 -3.958 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.974 8.689 -4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.949 8.692 -3.457 1.00 0.00 H new ATOM 567 N ASN A 41 -7.337 6.817 -3.242 1.00 0.00 N ATOM 568 CA ASN A 41 -7.642 5.509 -2.673 1.00 0.00 C ATOM 569 C ASN A 41 -6.540 4.504 -2.997 1.00 0.00 C ATOM 570 O ASN A 41 -6.716 3.299 -2.823 1.00 0.00 O ATOM 571 CB ASN A 41 -8.984 5.000 -3.203 1.00 0.00 C ATOM 572 CG ASN A 41 -10.153 5.462 -2.356 1.00 0.00 C ATOM 573 OD1 ASN A 41 -10.323 5.021 -1.219 1.00 0.00 O ATOM 574 ND2 ASN A 41 -10.967 6.356 -2.907 1.00 0.00 N ATOM 0 H ASN A 41 -7.096 6.800 -4.233 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.704 5.617 -1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.122 5.346 -4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.970 3.911 -3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.771 6.704 -2.384 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.788 6.694 -3.853 1.00 0.00 H new ATOM 581 N TRP A 42 -5.407 5.010 -3.468 1.00 0.00 N ATOM 582 CA TRP A 42 -4.276 4.157 -3.816 1.00 0.00 C ATOM 583 C TRP A 42 -3.007 4.619 -3.108 1.00 0.00 C ATOM 584 O TRP A 42 -2.954 5.725 -2.569 1.00 0.00 O ATOM 585 CB TRP A 42 -4.058 4.156 -5.330 1.00 0.00 C ATOM 586 CG TRP A 42 -5.250 3.676 -6.101 1.00 0.00 C ATOM 587 CD1 TRP A 42 -6.474 4.277 -6.175 1.00 0.00 C ATOM 588 CD2 TRP A 42 -5.331 2.494 -6.906 1.00 0.00 C ATOM 589 NE1 TRP A 42 -7.312 3.540 -6.977 1.00 0.00 N ATOM 590 CE2 TRP A 42 -6.634 2.442 -7.438 1.00 0.00 C ATOM 591 CE3 TRP A 42 -4.430 1.477 -7.229 1.00 0.00 C ATOM 592 CZ2 TRP A 42 -7.056 1.411 -8.275 1.00 0.00 C ATOM 593 CZ3 TRP A 42 -4.850 0.455 -8.059 1.00 0.00 C ATOM 594 CH2 TRP A 42 -6.152 0.428 -8.575 1.00 0.00 C ATOM 0 H TRP A 42 -5.246 6.006 -3.618 1.00 0.00 H new ATOM 0 HA TRP A 42 -4.504 3.143 -3.488 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.807 5.166 -5.654 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.202 3.523 -5.566 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -6.744 5.196 -5.677 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.281 3.773 -7.194 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.424 1.489 -6.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.060 1.388 -8.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.162 -0.337 -8.314 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -6.448 -0.384 -9.222 1.00 0.00 H new ATOM 605 N TYR A 43 -1.988 3.768 -3.113 1.00 0.00 N ATOM 606 CA TYR A 43 -0.720 4.089 -2.469 1.00 0.00 C ATOM 607 C TYR A 43 0.457 3.610 -3.314 1.00 0.00 C ATOM 608 O TYR A 43 0.293 2.791 -4.218 1.00 0.00 O ATOM 609 CB TYR A 43 -0.656 3.455 -1.078 1.00 0.00 C ATOM 610 CG TYR A 43 -1.289 4.301 0.003 1.00 0.00 C ATOM 611 CD1 TYR A 43 -1.032 5.664 0.086 1.00 0.00 C ATOM 612 CD2 TYR A 43 -2.145 3.738 0.941 1.00 0.00 C ATOM 613 CE1 TYR A 43 -1.608 6.441 1.072 1.00 0.00 C ATOM 614 CE2 TYR A 43 -2.727 4.507 1.930 1.00 0.00 C ATOM 615 CZ TYR A 43 -2.455 5.858 1.992 1.00 0.00 C ATOM 616 OH TYR A 43 -3.031 6.628 2.975 1.00 0.00 O ATOM 0 H TYR A 43 -2.015 2.850 -3.556 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.655 5.173 -2.370 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.153 2.485 -1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.387 3.271 -0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.370 6.124 -0.633 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.359 2.680 0.896 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.397 7.499 1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.391 4.053 2.651 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.601 6.065 3.540 1.00 0.00 H new ATOM 626 N GLU A 44 1.643 4.127 -3.010 1.00 0.00 N ATOM 627 CA GLU A 44 2.848 3.752 -3.742 1.00 0.00 C ATOM 628 C GLU A 44 3.870 3.105 -2.811 1.00 0.00 C ATOM 629 O GLU A 44 4.318 3.715 -1.842 1.00 0.00 O ATOM 630 CB GLU A 44 3.464 4.980 -4.417 1.00 0.00 C ATOM 631 CG GLU A 44 4.278 4.648 -5.656 1.00 0.00 C ATOM 632 CD GLU A 44 5.276 5.735 -6.007 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.027 6.906 -5.653 1.00 0.00 O ATOM 634 OE2 GLU A 44 6.306 5.413 -6.636 1.00 0.00 O ATOM 0 H GLU A 44 1.796 4.805 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 44 2.568 3.028 -4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.667 5.672 -4.690 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.103 5.496 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.809 3.710 -5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.604 4.493 -6.498 1.00 0.00 H new ATOM 641 N GLY A 45 4.233 1.862 -3.114 1.00 0.00 N ATOM 642 CA GLY A 45 5.198 1.151 -2.296 1.00 0.00 C ATOM 643 C GLY A 45 6.056 0.199 -3.106 1.00 0.00 C ATOM 644 O GLY A 45 5.959 0.157 -4.332 1.00 0.00 O ATOM 0 H GLY A 45 3.876 1.335 -3.911 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.840 1.871 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.672 0.592 -1.522 1.00 0.00 H new ATOM 648 N MET A 46 6.898 -0.566 -2.420 1.00 0.00 N ATOM 649 CA MET A 46 7.777 -1.521 -3.085 1.00 0.00 C ATOM 650 C MET A 46 7.549 -2.932 -2.551 1.00 0.00 C ATOM 651 O MET A 46 7.579 -3.161 -1.341 1.00 0.00 O ATOM 652 CB MET A 46 9.241 -1.120 -2.892 1.00 0.00 C ATOM 653 CG MET A 46 9.768 -0.202 -3.982 1.00 0.00 C ATOM 654 SD MET A 46 11.569 -0.182 -4.063 1.00 0.00 S ATOM 655 CE MET A 46 11.964 0.749 -2.584 1.00 0.00 C ATOM 0 H MET A 46 6.990 -0.544 -1.404 1.00 0.00 H new ATOM 0 HA MET A 46 7.543 -1.512 -4.150 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.349 -0.624 -1.927 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.854 -2.020 -2.859 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.368 -0.521 -4.945 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.405 0.811 -3.806 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.046 0.847 -2.494 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.514 1.740 -2.647 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.573 0.227 -1.710 1.00 0.00 H new ATOM 665 N LEU A 47 7.323 -3.874 -3.460 1.00 0.00 N ATOM 666 CA LEU A 47 7.090 -5.263 -3.080 1.00 0.00 C ATOM 667 C LEU A 47 7.720 -6.217 -4.090 1.00 0.00 C ATOM 668 O LEU A 47 7.423 -6.159 -5.284 1.00 0.00 O ATOM 669 CB LEU A 47 5.589 -5.538 -2.970 1.00 0.00 C ATOM 670 CG LEU A 47 5.194 -6.958 -2.563 1.00 0.00 C ATOM 671 CD1 LEU A 47 5.558 -7.217 -1.109 1.00 0.00 C ATOM 672 CD2 LEU A 47 3.707 -7.184 -2.791 1.00 0.00 C ATOM 0 H LEU A 47 7.296 -3.701 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 47 7.556 -5.431 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.165 -4.843 -2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.128 -5.316 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 47 5.747 -7.661 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.270 -8.232 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.633 -7.097 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.032 -6.507 -0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.444 -8.200 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.135 -6.473 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.475 -7.041 -3.846 1.00 0.00 H new ATOM 684 N HIS A 48 8.590 -7.096 -3.603 1.00 0.00 N ATOM 685 CA HIS A 48 9.261 -8.065 -4.462 1.00 0.00 C ATOM 686 C HIS A 48 9.993 -7.364 -5.603 1.00 0.00 C ATOM 687 O HIS A 48 9.971 -7.824 -6.744 1.00 0.00 O ATOM 688 CB HIS A 48 8.250 -9.063 -5.027 1.00 0.00 C ATOM 689 CG HIS A 48 7.865 -10.138 -4.059 1.00 0.00 C ATOM 690 ND1 HIS A 48 8.730 -11.134 -3.657 1.00 0.00 N ATOM 691 CD2 HIS A 48 6.700 -10.370 -3.410 1.00 0.00 C ATOM 692 CE1 HIS A 48 8.113 -11.932 -2.804 1.00 0.00 C ATOM 693 NE2 HIS A 48 6.880 -11.490 -2.637 1.00 0.00 N ATOM 0 H HIS A 48 8.847 -7.157 -2.618 1.00 0.00 H new ATOM 0 HA HIS A 48 9.993 -8.602 -3.859 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.354 -8.525 -5.335 1.00 0.00 H new ATOM 0 HB3 HIS A 48 8.668 -9.524 -5.922 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.797 -9.783 -3.486 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.544 -12.799 -2.325 1.00 0.00 H new ATOM 0 HE2 HIS A 48 6.176 -11.912 -2.032 1.00 0.00 H new ATOM 702 N GLY A 49 10.641 -6.247 -5.286 1.00 0.00 N ATOM 703 CA GLY A 49 11.369 -5.500 -6.295 1.00 0.00 C ATOM 704 C GLY A 49 10.458 -4.916 -7.356 1.00 0.00 C ATOM 705 O GLY A 49 10.883 -4.675 -8.486 1.00 0.00 O ATOM 0 H GLY A 49 10.675 -5.846 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.925 -4.695 -5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.101 -6.154 -6.769 1.00 0.00 H new ATOM 709 N HIS A 50 9.199 -4.690 -6.993 1.00 0.00 N ATOM 710 CA HIS A 50 8.224 -4.132 -7.922 1.00 0.00 C ATOM 711 C HIS A 50 7.541 -2.906 -7.323 1.00 0.00 C ATOM 712 O HIS A 50 7.127 -2.919 -6.164 1.00 0.00 O ATOM 713 CB HIS A 50 7.177 -5.184 -8.290 1.00 0.00 C ATOM 714 CG HIS A 50 7.709 -6.276 -9.166 1.00 0.00 C ATOM 715 ND1 HIS A 50 8.504 -6.038 -10.268 1.00 0.00 N ATOM 716 CD2 HIS A 50 7.557 -7.620 -9.098 1.00 0.00 C ATOM 717 CE1 HIS A 50 8.816 -7.187 -10.840 1.00 0.00 C ATOM 718 NE2 HIS A 50 8.254 -8.163 -10.149 1.00 0.00 N ATOM 0 H HIS A 50 8.831 -4.885 -6.062 1.00 0.00 H new ATOM 0 HA HIS A 50 8.754 -3.826 -8.824 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.779 -5.624 -7.376 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.345 -4.695 -8.797 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.992 -8.164 -8.355 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.427 -7.308 -11.722 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.326 -9.158 -10.362 1.00 0.00 H new ATOM 727 N SER A 51 7.427 -1.849 -8.120 1.00 0.00 N ATOM 728 CA SER A 51 6.799 -0.613 -7.666 1.00 0.00 C ATOM 729 C SER A 51 5.516 -0.339 -8.445 1.00 0.00 C ATOM 730 O SER A 51 5.550 -0.082 -9.648 1.00 0.00 O ATOM 731 CB SER A 51 7.765 0.562 -7.822 1.00 0.00 C ATOM 732 OG SER A 51 8.082 0.785 -9.185 1.00 0.00 O ATOM 0 H SER A 51 7.761 -1.823 -9.083 1.00 0.00 H new ATOM 0 HA SER A 51 6.546 -0.728 -6.612 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.320 1.462 -7.397 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.678 0.363 -7.261 1.00 0.00 H new ATOM 0 HG SER A 51 7.310 0.553 -9.743 1.00 0.00 H new ATOM 738 N GLY A 52 4.385 -0.395 -7.749 1.00 0.00 N ATOM 739 CA GLY A 52 3.106 -0.150 -8.390 1.00 0.00 C ATOM 740 C GLY A 52 2.083 0.439 -7.439 1.00 0.00 C ATOM 741 O GLY A 52 2.298 0.469 -6.227 1.00 0.00 O ATOM 0 H GLY A 52 4.331 -0.606 -6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.249 0.529 -9.231 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.722 -1.085 -8.797 1.00 0.00 H new ATOM 745 N PHE A 53 0.969 0.909 -7.988 1.00 0.00 N ATOM 746 CA PHE A 53 -0.090 1.503 -7.180 1.00 0.00 C ATOM 747 C PHE A 53 -1.111 0.449 -6.763 1.00 0.00 C ATOM 748 O PHE A 53 -1.604 -0.317 -7.591 1.00 0.00 O ATOM 749 CB PHE A 53 -0.785 2.624 -7.956 1.00 0.00 C ATOM 750 CG PHE A 53 0.127 3.354 -8.900 1.00 0.00 C ATOM 751 CD1 PHE A 53 1.340 3.859 -8.461 1.00 0.00 C ATOM 752 CD2 PHE A 53 -0.229 3.536 -10.227 1.00 0.00 C ATOM 753 CE1 PHE A 53 2.181 4.532 -9.328 1.00 0.00 C ATOM 754 CE2 PHE A 53 0.607 4.207 -11.098 1.00 0.00 C ATOM 755 CZ PHE A 53 1.815 4.705 -10.648 1.00 0.00 C ATOM 0 H PHE A 53 0.775 0.890 -8.989 1.00 0.00 H new ATOM 0 HA PHE A 53 0.363 1.920 -6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.617 2.203 -8.520 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.208 3.337 -7.248 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.632 3.726 -7.430 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.172 3.148 -10.584 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.123 4.922 -8.973 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.317 4.342 -12.129 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.471 5.228 -11.327 1.00 0.00 H new ATOM 765 N PHE A 54 -1.425 0.417 -5.472 1.00 0.00 N ATOM 766 CA PHE A 54 -2.386 -0.544 -4.943 1.00 0.00 C ATOM 767 C PHE A 54 -3.523 0.169 -4.215 1.00 0.00 C ATOM 768 O PHE A 54 -3.370 1.283 -3.713 1.00 0.00 O ATOM 769 CB PHE A 54 -1.692 -1.522 -3.993 1.00 0.00 C ATOM 770 CG PHE A 54 -0.799 -0.852 -2.989 1.00 0.00 C ATOM 771 CD1 PHE A 54 0.428 -0.332 -3.371 1.00 0.00 C ATOM 772 CD2 PHE A 54 -1.185 -0.741 -1.663 1.00 0.00 C ATOM 773 CE1 PHE A 54 1.252 0.286 -2.450 1.00 0.00 C ATOM 774 CE2 PHE A 54 -0.365 -0.124 -0.738 1.00 0.00 C ATOM 775 CZ PHE A 54 0.856 0.389 -1.131 1.00 0.00 C ATOM 0 H PHE A 54 -1.028 1.045 -4.773 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.806 -1.099 -5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.449 -2.101 -3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.102 -2.227 -4.578 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.744 -0.411 -4.401 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.138 -1.141 -1.349 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.205 0.688 -2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.679 -0.043 0.292 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.499 0.869 -0.409 1.00 0.00 H new ATOM 785 N PRO A 55 -4.691 -0.488 -4.156 1.00 0.00 N ATOM 786 CA PRO A 55 -5.876 0.063 -3.492 1.00 0.00 C ATOM 787 C PRO A 55 -5.718 0.118 -1.976 1.00 0.00 C ATOM 788 O PRO A 55 -4.978 -0.672 -1.391 1.00 0.00 O ATOM 789 CB PRO A 55 -6.987 -0.917 -3.879 1.00 0.00 C ATOM 790 CG PRO A 55 -6.281 -2.199 -4.157 1.00 0.00 C ATOM 791 CD PRO A 55 -4.944 -1.819 -4.732 1.00 0.00 C ATOM 0 HA PRO A 55 -6.072 1.092 -3.795 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.713 -1.031 -3.074 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.535 -0.569 -4.755 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.162 -2.784 -3.245 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.847 -2.812 -4.858 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.169 -2.532 -4.452 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.969 -1.787 -5.821 1.00 0.00 H new ATOM 799 N ILE A 56 -6.419 1.056 -1.347 1.00 0.00 N ATOM 800 CA ILE A 56 -6.357 1.212 0.101 1.00 0.00 C ATOM 801 C ILE A 56 -7.501 0.470 0.783 1.00 0.00 C ATOM 802 O ILE A 56 -7.380 0.042 1.930 1.00 0.00 O ATOM 803 CB ILE A 56 -6.408 2.697 0.509 1.00 0.00 C ATOM 804 CG1 ILE A 56 -5.246 3.463 -0.126 1.00 0.00 C ATOM 805 CG2 ILE A 56 -6.372 2.830 2.024 1.00 0.00 C ATOM 806 CD1 ILE A 56 -5.322 4.959 0.084 1.00 0.00 C ATOM 0 H ILE A 56 -7.036 1.719 -1.817 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.407 0.786 0.424 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.342 3.127 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.308 3.093 0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.226 3.255 -1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.409 3.884 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.229 2.313 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.452 2.388 2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.466 5.437 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.243 5.342 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.311 5.178 1.152 1.00 0.00 H new ATOM 818 N ASN A 57 -8.611 0.318 0.068 1.00 0.00 N ATOM 819 CA ASN A 57 -9.777 -0.375 0.604 1.00 0.00 C ATOM 820 C ASN A 57 -9.453 -1.837 0.899 1.00 0.00 C ATOM 821 O ASN A 57 -10.263 -2.558 1.481 1.00 0.00 O ATOM 822 CB ASN A 57 -10.944 -0.289 -0.381 1.00 0.00 C ATOM 823 CG ASN A 57 -11.732 0.999 -0.233 1.00 0.00 C ATOM 824 OD1 ASN A 57 -12.589 1.118 0.642 1.00 0.00 O ATOM 825 ND2 ASN A 57 -11.443 1.970 -1.091 1.00 0.00 N ATOM 0 H ASN A 57 -8.728 0.665 -0.884 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.061 0.111 1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.563 -0.363 -1.399 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.609 -1.139 -0.227 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.940 2.860 -1.041 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.724 1.827 -1.800 1.00 0.00 H new ATOM 832 N TYR A 58 -8.263 -2.267 0.494 1.00 0.00 N ATOM 833 CA TYR A 58 -7.832 -3.642 0.713 1.00 0.00 C ATOM 834 C TYR A 58 -6.749 -3.709 1.786 1.00 0.00 C ATOM 835 O TYR A 58 -6.706 -4.646 2.584 1.00 0.00 O ATOM 836 CB TYR A 58 -7.312 -4.250 -0.591 1.00 0.00 C ATOM 837 CG TYR A 58 -8.408 -4.749 -1.505 1.00 0.00 C ATOM 838 CD1 TYR A 58 -9.164 -5.866 -1.170 1.00 0.00 C ATOM 839 CD2 TYR A 58 -8.687 -4.104 -2.703 1.00 0.00 C ATOM 840 CE1 TYR A 58 -10.165 -6.326 -2.003 1.00 0.00 C ATOM 841 CE2 TYR A 58 -9.688 -4.556 -3.541 1.00 0.00 C ATOM 842 CZ TYR A 58 -10.424 -5.668 -3.187 1.00 0.00 C ATOM 843 OH TYR A 58 -11.422 -6.122 -4.019 1.00 0.00 O ATOM 0 H TYR A 58 -7.580 -1.683 0.012 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.693 -4.216 1.055 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.721 -3.503 -1.120 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.642 -5.077 -0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.965 -6.383 -0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.112 -3.234 -2.984 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.742 -7.197 -1.729 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.893 -4.042 -4.468 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.476 -5.546 -4.810 1.00 0.00 H new ATOM 853 N VAL A 59 -5.875 -2.708 1.799 1.00 0.00 N ATOM 854 CA VAL A 59 -4.792 -2.650 2.774 1.00 0.00 C ATOM 855 C VAL A 59 -5.032 -1.546 3.797 1.00 0.00 C ATOM 856 O VAL A 59 -5.346 -0.412 3.438 1.00 0.00 O ATOM 857 CB VAL A 59 -3.433 -2.415 2.089 1.00 0.00 C ATOM 858 CG1 VAL A 59 -3.195 -3.452 1.003 1.00 0.00 C ATOM 859 CG2 VAL A 59 -3.361 -1.006 1.519 1.00 0.00 C ATOM 0 H VAL A 59 -5.896 -1.926 1.145 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.772 -3.614 3.283 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.646 -2.521 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.230 -3.269 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.200 -4.449 1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.984 -3.383 0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.394 -0.857 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.156 -0.869 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.482 -0.281 2.324 1.00 0.00 H new ATOM 869 N GLU A 60 -4.882 -1.886 5.073 1.00 0.00 N ATOM 870 CA GLU A 60 -5.083 -0.922 6.149 1.00 0.00 C ATOM 871 C GLU A 60 -3.789 -0.173 6.456 1.00 0.00 C ATOM 872 O GLU A 60 -2.693 -0.699 6.262 1.00 0.00 O ATOM 873 CB GLU A 60 -5.587 -1.629 7.409 1.00 0.00 C ATOM 874 CG GLU A 60 -4.568 -2.570 8.029 1.00 0.00 C ATOM 875 CD GLU A 60 -5.119 -3.320 9.226 1.00 0.00 C ATOM 876 OE1 GLU A 60 -5.781 -2.684 10.072 1.00 0.00 O ATOM 877 OE2 GLU A 60 -4.889 -4.545 9.315 1.00 0.00 O ATOM 0 H GLU A 60 -4.622 -2.821 5.387 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.832 -0.201 5.822 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.872 -0.879 8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.487 -2.193 7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.236 -3.286 7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.691 -1.999 8.335 1.00 0.00 H new ATOM 884 N ILE A 61 -3.926 1.059 6.936 1.00 0.00 N ATOM 885 CA ILE A 61 -2.769 1.880 7.271 1.00 0.00 C ATOM 886 C ILE A 61 -2.525 1.898 8.776 1.00 0.00 C ATOM 887 O ILE A 61 -3.356 2.382 9.546 1.00 0.00 O ATOM 888 CB ILE A 61 -2.944 3.327 6.774 1.00 0.00 C ATOM 889 CG1 ILE A 61 -3.020 3.359 5.246 1.00 0.00 C ATOM 890 CG2 ILE A 61 -1.801 4.200 7.271 1.00 0.00 C ATOM 891 CD1 ILE A 61 -1.829 2.718 4.568 1.00 0.00 C ATOM 0 H ILE A 61 -4.826 1.510 7.101 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.909 1.433 6.771 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.878 3.722 7.174 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.928 2.849 4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.102 4.395 4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.939 5.220 6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.789 4.198 8.361 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.855 3.808 6.897 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.951 2.777 3.486 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.919 3.242 4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.758 1.673 4.869 1.00 0.00 H new ATOM 903 N LEU A 62 -1.378 1.369 9.189 1.00 0.00 N ATOM 904 CA LEU A 62 -1.022 1.325 10.603 1.00 0.00 C ATOM 905 C LEU A 62 -0.210 2.555 10.999 1.00 0.00 C ATOM 906 O LEU A 62 -0.415 3.129 12.068 1.00 0.00 O ATOM 907 CB LEU A 62 -0.227 0.055 10.910 1.00 0.00 C ATOM 908 CG LEU A 62 -0.729 -1.228 10.248 1.00 0.00 C ATOM 909 CD1 LEU A 62 0.391 -2.252 10.148 1.00 0.00 C ATOM 910 CD2 LEU A 62 -1.910 -1.800 11.020 1.00 0.00 C ATOM 0 H LEU A 62 -0.679 0.965 8.565 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.944 1.318 11.184 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.807 0.216 10.606 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.223 -0.095 11.990 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.063 -0.986 9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.014 -3.158 9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.206 -1.843 9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.757 -2.490 11.147 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.254 -2.713 10.534 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.602 -2.026 12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.720 -1.071 11.038 1.00 0.00 H new ATOM 922 N VAL A 63 0.710 2.956 10.127 1.00 0.00 N ATOM 923 CA VAL A 63 1.550 4.119 10.383 1.00 0.00 C ATOM 924 C VAL A 63 1.279 5.226 9.370 1.00 0.00 C ATOM 925 O VAL A 63 1.619 5.102 8.194 1.00 0.00 O ATOM 926 CB VAL A 63 3.045 3.752 10.339 1.00 0.00 C ATOM 927 CG1 VAL A 63 3.906 4.995 10.509 1.00 0.00 C ATOM 928 CG2 VAL A 63 3.372 2.718 11.406 1.00 0.00 C ATOM 0 H VAL A 63 0.892 2.492 9.237 1.00 0.00 H new ATOM 0 HA VAL A 63 1.301 4.476 11.382 1.00 0.00 H new ATOM 0 HB VAL A 63 3.265 3.317 9.364 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.959 4.716 10.475 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.691 5.699 9.705 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.685 5.462 11.469 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.433 2.471 11.360 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.136 3.123 12.390 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.782 1.818 11.234 1.00 0.00 H new ATOM 938 N ALA A 64 0.665 6.309 9.836 1.00 0.00 N ATOM 939 CA ALA A 64 0.351 7.440 8.971 1.00 0.00 C ATOM 940 C ALA A 64 1.617 8.035 8.363 1.00 0.00 C ATOM 941 O ALA A 64 2.565 8.365 9.077 1.00 0.00 O ATOM 942 CB ALA A 64 -0.413 8.502 9.748 1.00 0.00 C ATOM 0 H ALA A 64 0.375 6.427 10.807 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.277 7.079 8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.641 9.341 9.090 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.342 8.077 10.129 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.195 8.850 10.583 1.00 0.00 H new ATOM 948 N LEU A 65 1.626 8.168 7.042 1.00 0.00 N ATOM 949 CA LEU A 65 2.777 8.723 6.337 1.00 0.00 C ATOM 950 C LEU A 65 3.244 10.019 6.992 1.00 0.00 C ATOM 951 O LEU A 65 2.499 10.682 7.715 1.00 0.00 O ATOM 952 CB LEU A 65 2.427 8.978 4.870 1.00 0.00 C ATOM 953 CG LEU A 65 2.632 7.800 3.917 1.00 0.00 C ATOM 954 CD1 LEU A 65 1.758 7.954 2.682 1.00 0.00 C ATOM 955 CD2 LEU A 65 4.098 7.680 3.524 1.00 0.00 C ATOM 0 H LEU A 65 0.850 7.899 6.437 1.00 0.00 H new ATOM 0 HA LEU A 65 3.589 7.997 6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.383 9.287 4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.027 9.816 4.514 1.00 0.00 H new ATOM 0 HG LEU A 65 2.339 6.885 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.917 7.106 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.710 7.989 2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.019 8.877 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.225 6.836 2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.418 8.596 3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.702 7.521 4.417 1.00 0.00 H new ATOM 967 N PRO A 66 4.506 10.392 6.734 1.00 0.00 N ATOM 968 CA PRO A 66 5.100 11.612 7.287 1.00 0.00 C ATOM 969 C PRO A 66 4.499 12.876 6.680 1.00 0.00 C ATOM 970 O PRO A 66 4.758 13.985 7.148 1.00 0.00 O ATOM 971 CB PRO A 66 6.579 11.489 6.912 1.00 0.00 C ATOM 972 CG PRO A 66 6.592 10.614 5.706 1.00 0.00 C ATOM 973 CD PRO A 66 5.451 9.650 5.882 1.00 0.00 C ATOM 0 HA PRO A 66 4.925 11.701 8.359 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.016 12.465 6.698 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.159 11.052 7.725 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.470 11.202 4.796 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.541 10.084 5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.003 9.379 4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.777 8.724 6.355 1.00 0.00 H new