USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 735 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 77 THR OG1 : rot 180:sc= 0.167 USER MOD Set 1.2: A 100 THR OG1 : rot -65:sc= 0.173 USER MOD Set 2.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 79 SER OG : rot -9:sc= 0.81! USER MOD Single : A 12 CYS SG : rot -170:sc= 0.0414 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 150:sc= -0.882 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 22:sc= 0.686 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.192 USER MOD Single : A 45 SER OG : rot 130:sc= 0.369 USER MOD Single : A 48 MET CE :methyl -133:sc= -0.739 (180deg=-3.5!) USER MOD Single : A 53 LYS NZ :NH3+ -179:sc=-0.00138 (180deg=-0.00154) USER MOD Single : A 60 TYR OH : rot -28:sc= 0.34 USER MOD Single : A 61 GLN : amide:sc= -1.36 K(o=-1.4,f=-0.28) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -86:sc= -0.153 USER MOD Single : A 68 THR OG1 : rot -20:sc= -0.448 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -57:sc= 0.121 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -1.88 K(o=-1.9,f=-13!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 149:sc= -6.15! (180deg=-10.3!) USER MOD Single : A 94 SER OG : rot 78:sc= -0.378 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -156:sc= 0.763 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.710 16.656 4.591 1.00 0.00 N ATOM 67 CA PRO A 8 9.888 15.523 4.156 1.00 0.00 C ATOM 68 C PRO A 8 8.947 15.894 3.015 1.00 0.00 C ATOM 69 O PRO A 8 8.583 17.056 2.831 1.00 0.00 O ATOM 70 CB PRO A 8 9.089 15.161 5.411 1.00 0.00 C ATOM 71 CG PRO A 8 9.034 16.423 6.201 1.00 0.00 C ATOM 72 CD PRO A 8 10.327 17.139 5.929 1.00 0.00 C ATOM 0 HA PRO A 8 10.495 14.704 3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.089 14.809 5.156 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.574 14.363 5.973 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.181 17.032 5.904 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.921 16.213 7.265 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.198 18.221 5.944 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.084 16.898 6.675 1.00 0.00 H new ATOM 80 N PRO A 9 8.543 14.886 2.228 1.00 0.00 N ATOM 81 CA PRO A 9 7.638 15.082 1.091 1.00 0.00 C ATOM 82 C PRO A 9 6.222 15.436 1.532 1.00 0.00 C ATOM 83 O PRO A 9 5.744 14.959 2.560 1.00 0.00 O ATOM 84 CB PRO A 9 7.655 13.724 0.386 1.00 0.00 C ATOM 85 CG PRO A 9 8.013 12.747 1.452 1.00 0.00 C ATOM 86 CD PRO A 9 8.938 13.476 2.388 1.00 0.00 C ATOM 0 HA PRO A 9 7.953 15.911 0.457 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.684 13.493 -0.052 1.00 0.00 H new ATOM 0 HB3 PRO A 9 8.383 13.709 -0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.123 12.398 1.976 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.499 11.868 1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.816 13.139 3.417 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.984 13.319 2.123 1.00 0.00 H new ATOM 94 N GLY A 10 5.555 16.275 0.746 1.00 0.00 N ATOM 95 CA GLY A 10 4.199 16.678 1.072 1.00 0.00 C ATOM 96 C GLY A 10 3.223 15.519 1.024 1.00 0.00 C ATOM 97 O GLY A 10 3.612 14.355 0.927 1.00 0.00 O ATOM 0 H GLY A 10 5.929 16.683 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.184 17.121 2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.875 17.451 0.375 1.00 0.00 H new ATOM 101 N PRO A 11 1.921 15.834 1.093 1.00 0.00 N ATOM 102 CA PRO A 11 0.859 14.824 1.060 1.00 0.00 C ATOM 103 C PRO A 11 0.727 14.166 -0.309 1.00 0.00 C ATOM 104 O PRO A 11 0.266 14.790 -1.266 1.00 0.00 O ATOM 105 CB PRO A 11 -0.403 15.625 1.392 1.00 0.00 C ATOM 106 CG PRO A 11 -0.089 17.019 0.972 1.00 0.00 C ATOM 107 CD PRO A 11 1.385 17.201 1.209 1.00 0.00 C ATOM 0 HA PRO A 11 1.055 14.004 1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.270 15.237 0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.635 15.575 2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.338 17.176 -0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.669 17.740 1.548 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.830 17.871 0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.584 17.629 2.192 1.00 0.00 H new ATOM 115 N CYS A 12 1.134 12.905 -0.396 1.00 0.00 N ATOM 116 CA CYS A 12 1.061 12.163 -1.650 1.00 0.00 C ATOM 117 C CYS A 12 -0.388 11.886 -2.035 1.00 0.00 C ATOM 118 O CYS A 12 -1.314 12.235 -1.301 1.00 0.00 O ATOM 119 CB CYS A 12 1.830 10.846 -1.532 1.00 0.00 C ATOM 120 SG CYS A 12 3.444 11.002 -0.731 1.00 0.00 S ATOM 0 H CYS A 12 1.518 12.375 0.386 1.00 0.00 H new ATOM 0 HA CYS A 12 1.515 12.773 -2.431 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.225 10.134 -0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.970 10.429 -2.529 1.00 0.00 H new ATOM 0 HG CYS A 12 4.103 9.890 -0.863 1.00 0.00 H new ATOM 126 N LEU A 13 -0.579 11.259 -3.190 1.00 0.00 N ATOM 127 CA LEU A 13 -1.916 10.936 -3.674 1.00 0.00 C ATOM 128 C LEU A 13 -2.298 9.506 -3.308 1.00 0.00 C ATOM 129 O LEU A 13 -1.445 8.653 -3.062 1.00 0.00 O ATOM 130 CB LEU A 13 -1.990 11.124 -5.191 1.00 0.00 C ATOM 131 CG LEU A 13 -2.153 12.562 -5.682 1.00 0.00 C ATOM 132 CD1 LEU A 13 -1.754 12.675 -7.146 1.00 0.00 C ATOM 133 CD2 LEU A 13 -3.585 13.036 -5.480 1.00 0.00 C ATOM 0 H LEU A 13 0.176 10.964 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.622 11.614 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.083 10.711 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.826 10.535 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.493 13.202 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.877 13.706 -7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.712 12.378 -7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.387 12.022 -7.747 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.682 14.062 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.264 12.392 -6.040 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.836 12.994 -4.420 1.00 0.00 H new ATOM 145 N PRO A 14 -3.611 9.234 -3.272 1.00 0.00 N ATOM 146 CA PRO A 14 -4.136 7.907 -2.939 1.00 0.00 C ATOM 147 C PRO A 14 -3.855 6.881 -4.032 1.00 0.00 C ATOM 148 O PRO A 14 -3.902 7.181 -5.225 1.00 0.00 O ATOM 149 CB PRO A 14 -5.642 8.144 -2.804 1.00 0.00 C ATOM 150 CG PRO A 14 -5.914 9.342 -3.648 1.00 0.00 C ATOM 151 CD PRO A 14 -4.685 10.202 -3.554 1.00 0.00 C ATOM 0 HA PRO A 14 -3.672 7.500 -2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.211 7.280 -3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.924 8.319 -1.766 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.111 9.055 -4.681 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.794 9.878 -3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.503 10.745 -4.481 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.774 10.945 -2.762 1.00 0.00 H new ATOM 159 N PRO A 15 -3.555 5.641 -3.618 1.00 0.00 N ATOM 160 CA PRO A 15 -3.261 4.546 -4.547 1.00 0.00 C ATOM 161 C PRO A 15 -4.495 4.095 -5.321 1.00 0.00 C ATOM 162 O PRO A 15 -5.584 3.983 -4.760 1.00 0.00 O ATOM 163 CB PRO A 15 -2.766 3.425 -3.629 1.00 0.00 C ATOM 164 CG PRO A 15 -3.391 3.715 -2.308 1.00 0.00 C ATOM 165 CD PRO A 15 -3.481 5.212 -2.212 1.00 0.00 C ATOM 0 HA PRO A 15 -2.540 4.841 -5.309 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.066 2.446 -4.003 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.678 3.421 -3.560 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.378 3.259 -2.235 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.791 3.307 -1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.360 5.526 -1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.612 5.635 -1.708 1.00 0.00 H new ATOM 173 N ARG A 16 -4.316 3.838 -6.613 1.00 0.00 N ATOM 174 CA ARG A 16 -5.416 3.400 -7.464 1.00 0.00 C ATOM 175 C ARG A 16 -5.458 1.877 -7.556 1.00 0.00 C ATOM 176 O ARG A 16 -4.496 1.244 -7.993 1.00 0.00 O ATOM 177 CB ARG A 16 -5.278 4.003 -8.863 1.00 0.00 C ATOM 178 CG ARG A 16 -5.869 5.398 -8.985 1.00 0.00 C ATOM 179 CD ARG A 16 -7.377 5.350 -9.174 1.00 0.00 C ATOM 180 NE ARG A 16 -7.899 6.595 -9.729 1.00 0.00 N ATOM 181 CZ ARG A 16 -7.975 7.731 -9.044 1.00 0.00 C ATOM 182 NH1 ARG A 16 -7.564 7.777 -7.784 1.00 0.00 N ATOM 183 NH2 ARG A 16 -8.462 8.823 -9.619 1.00 0.00 N ATOM 0 H ARG A 16 -3.420 3.926 -7.093 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.348 3.746 -7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.222 4.040 -9.131 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -5.767 3.346 -9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.632 5.974 -8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.412 5.915 -9.828 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.633 4.523 -9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.856 5.151 -8.215 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.223 6.593 -10.696 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.189 6.939 -7.339 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.623 8.650 -7.260 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.779 8.791 -10.588 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.520 9.694 -9.092 1.00 0.00 H new ATOM 197 N LEU A 17 -6.578 1.296 -7.143 1.00 0.00 N ATOM 198 CA LEU A 17 -6.747 -0.153 -7.178 1.00 0.00 C ATOM 199 C LEU A 17 -6.381 -0.710 -8.550 1.00 0.00 C ATOM 200 O LEU A 17 -7.029 -0.399 -9.549 1.00 0.00 O ATOM 201 CB LEU A 17 -8.189 -0.528 -6.831 1.00 0.00 C ATOM 202 CG LEU A 17 -8.618 -1.950 -7.191 1.00 0.00 C ATOM 203 CD1 LEU A 17 -7.942 -2.959 -6.275 1.00 0.00 C ATOM 204 CD2 LEU A 17 -10.131 -2.087 -7.113 1.00 0.00 C ATOM 0 H LEU A 17 -7.383 1.806 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.077 -0.590 -6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.332 -0.387 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.856 0.170 -7.336 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.307 -2.154 -8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.259 -3.966 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.860 -2.879 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.222 -2.756 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.418 -3.106 -7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.465 -1.863 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.596 -1.390 -7.811 1.00 0.00 H new ATOM 216 N GLN A 18 -5.340 -1.536 -8.590 1.00 0.00 N ATOM 217 CA GLN A 18 -4.890 -2.137 -9.840 1.00 0.00 C ATOM 218 C GLN A 18 -5.861 -3.218 -10.305 1.00 0.00 C ATOM 219 O GLN A 18 -6.480 -3.902 -9.491 1.00 0.00 O ATOM 220 CB GLN A 18 -3.491 -2.731 -9.669 1.00 0.00 C ATOM 221 CG GLN A 18 -2.674 -2.741 -10.951 1.00 0.00 C ATOM 222 CD GLN A 18 -1.447 -3.625 -10.855 1.00 0.00 C ATOM 223 OE1 GLN A 18 -1.339 -4.636 -11.550 1.00 0.00 O ATOM 224 NE2 GLN A 18 -0.512 -3.250 -9.989 1.00 0.00 N ATOM 0 H GLN A 18 -4.793 -1.804 -7.772 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.855 -1.355 -10.599 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.954 -2.162 -8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.582 -3.752 -9.298 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.301 -3.084 -11.774 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.366 -1.723 -11.189 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.642 -2.405 -9.433 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.336 -3.807 -9.880 1.00 0.00 H new ATOM 233 N GLY A 19 -5.989 -3.365 -11.620 1.00 0.00 N ATOM 234 CA GLY A 19 -6.887 -4.364 -12.170 1.00 0.00 C ATOM 235 C GLY A 19 -8.130 -4.555 -11.325 1.00 0.00 C ATOM 236 O GLY A 19 -8.930 -3.632 -11.168 1.00 0.00 O ATOM 0 H GLY A 19 -5.487 -2.811 -12.314 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.179 -4.070 -13.178 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.360 -5.314 -12.255 1.00 0.00 H new ATOM 240 N ARG A 20 -8.294 -5.755 -10.779 1.00 0.00 N ATOM 241 CA ARG A 20 -9.451 -6.065 -9.948 1.00 0.00 C ATOM 242 C ARG A 20 -9.015 -6.627 -8.598 1.00 0.00 C ATOM 243 O ARG A 20 -8.040 -7.372 -8.493 1.00 0.00 O ATOM 244 CB ARG A 20 -10.364 -7.067 -10.658 1.00 0.00 C ATOM 245 CG ARG A 20 -11.105 -6.478 -11.848 1.00 0.00 C ATOM 246 CD ARG A 20 -11.941 -5.274 -11.442 1.00 0.00 C ATOM 247 NE ARG A 20 -12.935 -4.931 -12.456 1.00 0.00 N ATOM 248 CZ ARG A 20 -13.905 -4.044 -12.264 1.00 0.00 C ATOM 249 NH1 ARG A 20 -14.010 -3.413 -11.103 1.00 0.00 N ATOM 250 NH2 ARG A 20 -14.771 -3.786 -13.235 1.00 0.00 N ATOM 0 H ARG A 20 -7.640 -6.529 -10.897 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.002 -5.140 -9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.767 -7.914 -10.995 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -11.091 -7.454 -9.943 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.389 -6.183 -12.615 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.750 -7.238 -12.289 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -12.444 -5.483 -10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.287 -4.419 -11.272 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.881 -5.398 -13.361 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.345 -3.608 -10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.756 -2.732 -10.958 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.692 -4.269 -14.130 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.516 -3.105 -13.087 1.00 0.00 H new ATOM 264 N PRO A 21 -9.753 -6.262 -7.539 1.00 0.00 N ATOM 265 CA PRO A 21 -9.462 -6.718 -6.176 1.00 0.00 C ATOM 266 C PRO A 21 -9.749 -8.204 -5.988 1.00 0.00 C ATOM 267 O PRO A 21 -10.346 -8.846 -6.853 1.00 0.00 O ATOM 268 CB PRO A 21 -10.405 -5.878 -5.312 1.00 0.00 C ATOM 269 CG PRO A 21 -11.531 -5.518 -6.219 1.00 0.00 C ATOM 270 CD PRO A 21 -10.929 -5.377 -7.590 1.00 0.00 C ATOM 0 HA PRO A 21 -8.409 -6.598 -5.922 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.757 -6.441 -4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.905 -4.988 -4.930 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -12.302 -6.288 -6.209 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.005 -4.588 -5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.628 -5.682 -8.369 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.647 -4.345 -7.801 1.00 0.00 H new ATOM 278 N LYS A 22 -9.321 -8.746 -4.853 1.00 0.00 N ATOM 279 CA LYS A 22 -9.534 -10.156 -4.550 1.00 0.00 C ATOM 280 C LYS A 22 -10.337 -10.321 -3.264 1.00 0.00 C ATOM 281 O LYS A 22 -10.755 -9.339 -2.652 1.00 0.00 O ATOM 282 CB LYS A 22 -8.191 -10.879 -4.422 1.00 0.00 C ATOM 283 CG LYS A 22 -7.296 -10.721 -5.639 1.00 0.00 C ATOM 284 CD LYS A 22 -7.575 -11.793 -6.679 1.00 0.00 C ATOM 285 CE LYS A 22 -6.439 -11.902 -7.685 1.00 0.00 C ATOM 286 NZ LYS A 22 -6.635 -13.044 -8.621 1.00 0.00 N ATOM 0 H LYS A 22 -8.824 -8.230 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.101 -10.597 -5.370 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.667 -10.501 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.374 -11.940 -4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.450 -9.736 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.251 -10.773 -5.333 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.718 -12.754 -6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.504 -11.562 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.367 -10.975 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.495 -12.025 -7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.840 -13.084 -9.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.678 -13.932 -8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.523 -12.914 -9.146 1.00 0.00 H new ATOM 300 N ALA A 23 -10.548 -11.570 -2.860 1.00 0.00 N ATOM 301 CA ALA A 23 -11.298 -11.863 -1.645 1.00 0.00 C ATOM 302 C ALA A 23 -10.543 -11.392 -0.406 1.00 0.00 C ATOM 303 O ALA A 23 -11.071 -10.630 0.404 1.00 0.00 O ATOM 304 CB ALA A 23 -11.591 -13.353 -1.552 1.00 0.00 C ATOM 0 H ALA A 23 -10.210 -12.394 -3.356 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.242 -11.320 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.152 -13.557 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.179 -13.663 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.653 -13.908 -1.533 1.00 0.00 H new ATOM 310 N LYS A 24 -9.304 -11.851 -0.265 1.00 0.00 N ATOM 311 CA LYS A 24 -8.475 -11.477 0.875 1.00 0.00 C ATOM 312 C LYS A 24 -7.217 -10.747 0.416 1.00 0.00 C ATOM 313 O LYS A 24 -6.270 -10.581 1.184 1.00 0.00 O ATOM 314 CB LYS A 24 -8.090 -12.720 1.681 1.00 0.00 C ATOM 315 CG LYS A 24 -9.284 -13.504 2.198 1.00 0.00 C ATOM 316 CD LYS A 24 -8.944 -14.263 3.470 1.00 0.00 C ATOM 317 CE LYS A 24 -10.198 -14.747 4.181 1.00 0.00 C ATOM 318 NZ LYS A 24 -10.626 -16.090 3.700 1.00 0.00 N ATOM 0 H LYS A 24 -8.852 -12.483 -0.926 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.054 -10.805 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.480 -13.373 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.471 -12.418 2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.112 -12.822 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.619 -14.205 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.310 -15.116 3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.371 -13.619 4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.014 -14.788 5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.004 -14.031 4.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -11.484 -16.384 4.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.827 -16.046 2.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.867 -16.779 3.874 1.00 0.00 H new ATOM 332 N GLU A 25 -7.216 -10.311 -0.840 1.00 0.00 N ATOM 333 CA GLU A 25 -6.074 -9.597 -1.400 1.00 0.00 C ATOM 334 C GLU A 25 -6.535 -8.457 -2.303 1.00 0.00 C ATOM 335 O GLU A 25 -7.677 -8.439 -2.764 1.00 0.00 O ATOM 336 CB GLU A 25 -5.180 -10.557 -2.187 1.00 0.00 C ATOM 337 CG GLU A 25 -4.780 -11.796 -1.404 1.00 0.00 C ATOM 338 CD GLU A 25 -5.766 -12.936 -1.571 1.00 0.00 C ATOM 339 OE1 GLU A 25 -6.833 -12.712 -2.179 1.00 0.00 O ATOM 340 OE2 GLU A 25 -5.471 -14.051 -1.093 1.00 0.00 O ATOM 0 H GLU A 25 -7.993 -10.440 -1.489 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.502 -9.174 -0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.700 -10.863 -3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.279 -10.028 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.793 -12.124 -1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.699 -11.543 -0.347 1.00 0.00 H new ATOM 347 N ILE A 26 -5.639 -7.507 -2.551 1.00 0.00 N ATOM 348 CA ILE A 26 -5.953 -6.364 -3.399 1.00 0.00 C ATOM 349 C ILE A 26 -4.687 -5.752 -3.988 1.00 0.00 C ATOM 350 O ILE A 26 -3.661 -5.657 -3.314 1.00 0.00 O ATOM 351 CB ILE A 26 -6.720 -5.279 -2.620 1.00 0.00 C ATOM 352 CG1 ILE A 26 -7.937 -5.887 -1.920 1.00 0.00 C ATOM 353 CG2 ILE A 26 -7.145 -4.157 -3.555 1.00 0.00 C ATOM 354 CD1 ILE A 26 -8.745 -4.880 -1.131 1.00 0.00 C ATOM 0 H ILE A 26 -4.690 -7.507 -2.177 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.584 -6.734 -4.207 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.059 -4.862 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.581 -6.353 -2.666 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.603 -6.678 -1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.686 -3.398 -2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.262 -3.709 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.792 -4.559 -4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.592 -5.381 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.116 -4.432 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.110 -4.101 -1.801 1.00 0.00 H new ATOM 366 N GLN A 27 -4.767 -5.338 -5.248 1.00 0.00 N ATOM 367 CA GLN A 27 -3.627 -4.734 -5.927 1.00 0.00 C ATOM 368 C GLN A 27 -3.788 -3.220 -6.021 1.00 0.00 C ATOM 369 O GLN A 27 -4.891 -2.715 -6.235 1.00 0.00 O ATOM 370 CB GLN A 27 -3.466 -5.329 -7.327 1.00 0.00 C ATOM 371 CG GLN A 27 -3.079 -6.799 -7.323 1.00 0.00 C ATOM 372 CD GLN A 27 -3.259 -7.454 -8.678 1.00 0.00 C ATOM 373 OE1 GLN A 27 -2.802 -6.935 -9.697 1.00 0.00 O ATOM 374 NE2 GLN A 27 -3.927 -8.602 -8.697 1.00 0.00 N ATOM 0 H GLN A 27 -5.609 -5.410 -5.819 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.733 -4.950 -5.343 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.402 -5.210 -7.873 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.707 -4.764 -7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.039 -6.896 -7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.683 -7.328 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.288 -8.996 -7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -4.079 -9.089 -9.580 1.00 0.00 H new ATOM 383 N LEU A 28 -2.683 -2.502 -5.858 1.00 0.00 N ATOM 384 CA LEU A 28 -2.702 -1.044 -5.924 1.00 0.00 C ATOM 385 C LEU A 28 -1.615 -0.528 -6.861 1.00 0.00 C ATOM 386 O LEU A 28 -0.637 -1.223 -7.137 1.00 0.00 O ATOM 387 CB LEU A 28 -2.512 -0.449 -4.528 1.00 0.00 C ATOM 388 CG LEU A 28 -3.499 -0.919 -3.458 1.00 0.00 C ATOM 389 CD1 LEU A 28 -2.860 -0.857 -2.079 1.00 0.00 C ATOM 390 CD2 LEU A 28 -4.768 -0.081 -3.498 1.00 0.00 C ATOM 0 H LEU A 28 -1.763 -2.904 -5.679 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.671 -0.735 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.502 -0.682 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.580 0.636 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.765 -1.955 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.577 -1.195 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.981 -1.501 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.564 0.169 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.459 -0.430 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.520 0.964 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.236 -0.177 -4.478 1.00 0.00 H new ATOM 402 N ARG A 29 -1.792 0.697 -7.347 1.00 0.00 N ATOM 403 CA ARG A 29 -0.826 1.307 -8.253 1.00 0.00 C ATOM 404 C ARG A 29 -0.805 2.823 -8.083 1.00 0.00 C ATOM 405 O ARG A 29 -1.716 3.520 -8.531 1.00 0.00 O ATOM 406 CB ARG A 29 -1.158 0.950 -9.703 1.00 0.00 C ATOM 407 CG ARG A 29 -0.292 1.673 -10.721 1.00 0.00 C ATOM 408 CD ARG A 29 -0.273 0.942 -12.055 1.00 0.00 C ATOM 409 NE ARG A 29 -1.384 1.340 -12.914 1.00 0.00 N ATOM 410 CZ ARG A 29 -1.483 2.537 -13.481 1.00 0.00 C ATOM 411 NH1 ARG A 29 -0.541 3.449 -13.281 1.00 0.00 N ATOM 412 NH2 ARG A 29 -2.525 2.825 -14.250 1.00 0.00 N ATOM 0 H ARG A 29 -2.595 1.286 -7.128 1.00 0.00 H new ATOM 0 HA ARG A 29 0.162 0.917 -8.008 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.043 -0.125 -9.839 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.205 1.186 -9.896 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.667 2.686 -10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.725 1.761 -10.338 1.00 0.00 H new ATOM 0 HD2 ARG A 29 0.669 1.143 -12.565 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.318 -0.133 -11.880 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.125 0.661 -13.088 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.262 3.232 -12.691 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.619 4.367 -13.718 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.252 2.127 -14.407 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.599 3.745 -14.685 1.00 0.00 H new ATOM 426 N TRP A 30 0.239 3.326 -7.435 1.00 0.00 N ATOM 427 CA TRP A 30 0.378 4.760 -7.206 1.00 0.00 C ATOM 428 C TRP A 30 1.621 5.304 -7.902 1.00 0.00 C ATOM 429 O TRP A 30 2.310 4.580 -8.619 1.00 0.00 O ATOM 430 CB TRP A 30 0.449 5.053 -5.706 1.00 0.00 C ATOM 431 CG TRP A 30 1.590 4.366 -5.020 1.00 0.00 C ATOM 432 CD1 TRP A 30 2.806 4.907 -4.710 1.00 0.00 C ATOM 433 CD2 TRP A 30 1.623 3.011 -4.560 1.00 0.00 C ATOM 434 NE1 TRP A 30 3.592 3.969 -4.086 1.00 0.00 N ATOM 435 CE2 TRP A 30 2.890 2.798 -3.981 1.00 0.00 C ATOM 436 CE3 TRP A 30 0.706 1.957 -4.579 1.00 0.00 C ATOM 437 CZ2 TRP A 30 3.259 1.575 -3.428 1.00 0.00 C ATOM 438 CZ3 TRP A 30 1.074 0.743 -4.031 1.00 0.00 C ATOM 439 CH2 TRP A 30 2.341 0.560 -3.461 1.00 0.00 C ATOM 0 H TRP A 30 1.002 2.763 -7.059 1.00 0.00 H new ATOM 0 HA TRP A 30 -0.497 5.257 -7.625 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.540 6.129 -5.557 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -0.486 4.744 -5.238 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.105 5.922 -4.924 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.545 4.120 -3.754 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.273 2.089 -5.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.235 1.432 -2.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 0.373 -0.079 -4.042 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.598 -0.401 -3.040 1.00 0.00 H new ATOM 450 N GLY A 31 1.902 6.586 -7.686 1.00 0.00 N ATOM 451 CA GLY A 31 3.062 7.205 -8.300 1.00 0.00 C ATOM 452 C GLY A 31 3.757 8.182 -7.373 1.00 0.00 C ATOM 453 O GLY A 31 3.321 8.419 -6.246 1.00 0.00 O ATOM 0 H GLY A 31 1.347 7.206 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.767 6.430 -8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.755 7.726 -9.207 1.00 0.00 H new ATOM 457 N PRO A 32 4.867 8.766 -7.847 1.00 0.00 N ATOM 458 CA PRO A 32 5.648 9.731 -7.068 1.00 0.00 C ATOM 459 C PRO A 32 4.914 11.054 -6.880 1.00 0.00 C ATOM 460 O PRO A 32 4.257 11.562 -7.789 1.00 0.00 O ATOM 461 CB PRO A 32 6.907 9.934 -7.914 1.00 0.00 C ATOM 462 CG PRO A 32 6.485 9.609 -9.305 1.00 0.00 C ATOM 463 CD PRO A 32 5.445 8.530 -9.181 1.00 0.00 C ATOM 0 HA PRO A 32 5.849 9.372 -6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.273 10.958 -7.840 1.00 0.00 H new ATOM 0 HB3 PRO A 32 7.716 9.282 -7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.078 10.488 -9.805 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.332 9.268 -9.900 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.691 8.606 -9.965 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.886 7.536 -9.258 1.00 0.00 H new ATOM 471 N PRO A 33 5.027 11.628 -5.673 1.00 0.00 N ATOM 472 CA PRO A 33 4.380 12.901 -5.338 1.00 0.00 C ATOM 473 C PRO A 33 5.013 14.082 -6.067 1.00 0.00 C ATOM 474 O PRO A 33 6.130 13.983 -6.577 1.00 0.00 O ATOM 475 CB PRO A 33 4.601 13.024 -3.828 1.00 0.00 C ATOM 476 CG PRO A 33 5.822 12.215 -3.556 1.00 0.00 C ATOM 477 CD PRO A 33 5.794 11.080 -4.542 1.00 0.00 C ATOM 0 HA PRO A 33 3.330 12.915 -5.632 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.741 14.064 -3.532 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.744 12.646 -3.271 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.723 12.816 -3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.823 11.842 -2.532 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.799 10.785 -4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.315 10.195 -4.123 1.00 0.00 H new ATOM 485 N LEU A 34 4.293 15.197 -6.112 1.00 0.00 N ATOM 486 CA LEU A 34 4.784 16.398 -6.779 1.00 0.00 C ATOM 487 C LEU A 34 5.755 17.160 -5.882 1.00 0.00 C ATOM 488 O LEU A 34 6.737 17.732 -6.356 1.00 0.00 O ATOM 489 CB LEU A 34 3.615 17.303 -7.169 1.00 0.00 C ATOM 490 CG LEU A 34 3.012 17.062 -8.553 1.00 0.00 C ATOM 491 CD1 LEU A 34 1.558 17.507 -8.587 1.00 0.00 C ATOM 492 CD2 LEU A 34 3.819 17.786 -9.621 1.00 0.00 C ATOM 0 H LEU A 34 3.367 15.295 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 34 5.314 16.092 -7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.827 17.185 -6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.950 18.339 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 34 3.048 15.993 -8.762 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.146 17.328 -9.580 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.987 16.942 -7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.497 18.570 -8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.375 17.603 -10.599 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.816 18.857 -9.416 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.845 17.418 -9.614 1.00 0.00 H new ATOM 504 N VAL A 35 5.475 17.163 -4.583 1.00 0.00 N ATOM 505 CA VAL A 35 6.324 17.851 -3.618 1.00 0.00 C ATOM 506 C VAL A 35 7.159 16.860 -2.815 1.00 0.00 C ATOM 507 O VAL A 35 6.708 16.334 -1.798 1.00 0.00 O ATOM 508 CB VAL A 35 5.491 18.708 -2.648 1.00 0.00 C ATOM 509 CG1 VAL A 35 6.373 19.726 -1.941 1.00 0.00 C ATOM 510 CG2 VAL A 35 4.355 19.398 -3.387 1.00 0.00 C ATOM 0 H VAL A 35 4.666 16.696 -4.174 1.00 0.00 H new ATOM 0 HA VAL A 35 6.987 18.502 -4.188 1.00 0.00 H new ATOM 0 HB VAL A 35 5.058 18.052 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.766 20.322 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.148 19.207 -1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.838 20.379 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.777 19.999 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.765 20.042 -4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.708 18.648 -3.841 1.00 0.00 H new ATOM 520 N ASP A 36 8.379 16.611 -3.279 1.00 0.00 N ATOM 521 CA ASP A 36 9.279 15.683 -2.604 1.00 0.00 C ATOM 522 C ASP A 36 10.085 16.398 -1.523 1.00 0.00 C ATOM 523 O ASP A 36 11.175 15.962 -1.156 1.00 0.00 O ATOM 524 CB ASP A 36 10.224 15.029 -3.613 1.00 0.00 C ATOM 525 CG ASP A 36 11.213 16.015 -4.204 1.00 0.00 C ATOM 526 OD1 ASP A 36 11.441 17.073 -3.580 1.00 0.00 O ATOM 527 OD2 ASP A 36 11.760 15.728 -5.289 1.00 0.00 O ATOM 0 H ASP A 36 8.767 17.039 -4.120 1.00 0.00 H new ATOM 0 HA ASP A 36 8.675 14.909 -2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.769 14.221 -3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 36 9.639 14.580 -4.416 1.00 0.00 H new ATOM 532 N GLY A 37 9.541 17.502 -1.019 1.00 0.00 N ATOM 533 CA GLY A 37 10.223 18.260 0.013 1.00 0.00 C ATOM 534 C GLY A 37 11.555 18.810 -0.456 1.00 0.00 C ATOM 535 O GLY A 37 12.364 19.270 0.349 1.00 0.00 O ATOM 0 H GLY A 37 8.640 17.884 -1.307 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.586 19.084 0.335 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.383 17.622 0.882 1.00 0.00 H new ATOM 539 N GLY A 38 11.785 18.762 -1.765 1.00 0.00 N ATOM 540 CA GLY A 38 13.031 19.261 -2.318 1.00 0.00 C ATOM 541 C GLY A 38 14.035 18.155 -2.577 1.00 0.00 C ATOM 542 O GLY A 38 14.925 18.299 -3.414 1.00 0.00 O ATOM 0 H GLY A 38 11.131 18.387 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.826 19.787 -3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.465 19.987 -1.631 1.00 0.00 H new ATOM 546 N SER A 39 13.892 17.048 -1.855 1.00 0.00 N ATOM 547 CA SER A 39 14.797 15.915 -2.007 1.00 0.00 C ATOM 548 C SER A 39 14.123 14.779 -2.771 1.00 0.00 C ATOM 549 O SER A 39 12.910 14.578 -2.693 1.00 0.00 O ATOM 550 CB SER A 39 15.260 15.418 -0.636 1.00 0.00 C ATOM 551 OG SER A 39 16.443 16.082 -0.225 1.00 0.00 O ATOM 0 H SER A 39 13.158 16.912 -1.159 1.00 0.00 H new ATOM 0 HA SER A 39 15.664 16.248 -2.577 1.00 0.00 H new ATOM 0 HB2 SER A 39 14.472 15.583 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 39 15.438 14.343 -0.676 1.00 0.00 H new ATOM 0 HG SER A 39 16.462 16.140 0.753 1.00 0.00 H new ATOM 557 N PRO A 40 14.926 14.017 -3.527 1.00 0.00 N ATOM 558 CA PRO A 40 14.431 12.888 -4.320 1.00 0.00 C ATOM 559 C PRO A 40 13.981 11.720 -3.449 1.00 0.00 C ATOM 560 O PRO A 40 14.781 11.138 -2.715 1.00 0.00 O ATOM 561 CB PRO A 40 15.643 12.489 -5.166 1.00 0.00 C ATOM 562 CG PRO A 40 16.821 12.950 -4.380 1.00 0.00 C ATOM 563 CD PRO A 40 16.381 14.199 -3.667 1.00 0.00 C ATOM 0 HA PRO A 40 13.554 13.157 -4.908 1.00 0.00 H new ATOM 0 HB2 PRO A 40 15.674 11.412 -5.331 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.613 12.961 -6.148 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.139 12.187 -3.670 1.00 0.00 H new ATOM 0 HG3 PRO A 40 17.671 13.152 -5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 40 16.868 14.301 -2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.621 15.095 -4.240 1.00 0.00 H new ATOM 571 N ILE A 41 12.699 11.383 -3.534 1.00 0.00 N ATOM 572 CA ILE A 41 12.145 10.284 -2.754 1.00 0.00 C ATOM 573 C ILE A 41 13.132 9.125 -2.660 1.00 0.00 C ATOM 574 O ILE A 41 13.996 8.960 -3.521 1.00 0.00 O ATOM 575 CB ILE A 41 10.825 9.772 -3.361 1.00 0.00 C ATOM 576 CG1 ILE A 41 9.806 10.909 -3.452 1.00 0.00 C ATOM 577 CG2 ILE A 41 10.272 8.622 -2.532 1.00 0.00 C ATOM 578 CD1 ILE A 41 9.401 11.467 -2.105 1.00 0.00 C ATOM 0 H ILE A 41 12.024 11.856 -4.135 1.00 0.00 H new ATOM 0 HA ILE A 41 11.949 10.673 -1.755 1.00 0.00 H new ATOM 0 HB ILE A 41 11.023 9.405 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.224 11.713 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.917 10.549 -3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.339 8.271 -2.973 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.995 7.806 -2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.086 8.964 -1.514 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.677 12.269 -2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.954 10.676 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.281 11.858 -1.594 1.00 0.00 H new ATOM 590 N SER A 42 12.995 8.322 -1.610 1.00 0.00 N ATOM 591 CA SER A 42 13.875 7.178 -1.402 1.00 0.00 C ATOM 592 C SER A 42 13.069 5.892 -1.251 1.00 0.00 C ATOM 593 O SER A 42 13.410 4.861 -1.832 1.00 0.00 O ATOM 594 CB SER A 42 14.745 7.396 -0.162 1.00 0.00 C ATOM 595 OG SER A 42 15.584 8.527 -0.320 1.00 0.00 O ATOM 0 H SER A 42 12.283 8.442 -0.890 1.00 0.00 H new ATOM 0 HA SER A 42 14.518 7.082 -2.277 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.109 7.530 0.713 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.354 6.510 0.019 1.00 0.00 H new ATOM 0 HG SER A 42 16.128 8.646 0.486 1.00 0.00 H new ATOM 601 N CYS A 43 11.998 5.961 -0.468 1.00 0.00 N ATOM 602 CA CYS A 43 11.142 4.802 -0.239 1.00 0.00 C ATOM 603 C CYS A 43 9.738 5.236 0.169 1.00 0.00 C ATOM 604 O CYS A 43 9.564 6.237 0.864 1.00 0.00 O ATOM 605 CB CYS A 43 11.745 3.902 0.840 1.00 0.00 C ATOM 606 SG CYS A 43 13.218 2.997 0.309 1.00 0.00 S ATOM 0 H CYS A 43 11.702 6.807 0.019 1.00 0.00 H new ATOM 0 HA CYS A 43 11.073 4.242 -1.171 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.000 4.512 1.706 1.00 0.00 H new ATOM 0 HB3 CYS A 43 10.990 3.186 1.165 1.00 0.00 H new ATOM 0 HG CYS A 43 13.753 3.600 -0.711 1.00 0.00 H new ATOM 612 N TYR A 44 8.740 4.477 -0.270 1.00 0.00 N ATOM 613 CA TYR A 44 7.350 4.785 0.046 1.00 0.00 C ATOM 614 C TYR A 44 6.803 3.822 1.095 1.00 0.00 C ATOM 615 O TYR A 44 7.430 2.810 1.412 1.00 0.00 O ATOM 616 CB TYR A 44 6.491 4.721 -1.218 1.00 0.00 C ATOM 617 CG TYR A 44 6.879 5.739 -2.266 1.00 0.00 C ATOM 618 CD1 TYR A 44 6.451 7.058 -2.174 1.00 0.00 C ATOM 619 CD2 TYR A 44 7.675 5.382 -3.348 1.00 0.00 C ATOM 620 CE1 TYR A 44 6.803 7.991 -3.130 1.00 0.00 C ATOM 621 CE2 TYR A 44 8.033 6.310 -4.308 1.00 0.00 C ATOM 622 CZ TYR A 44 7.594 7.612 -4.194 1.00 0.00 C ATOM 623 OH TYR A 44 7.947 8.539 -5.148 1.00 0.00 O ATOM 0 H TYR A 44 8.867 3.644 -0.845 1.00 0.00 H new ATOM 0 HA TYR A 44 7.312 5.796 0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.566 3.722 -1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.447 4.873 -0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.833 7.359 -1.341 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.020 4.363 -3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.461 9.012 -3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.653 6.017 -5.142 1.00 0.00 H new ATOM 0 HH TYR A 44 8.507 8.111 -5.829 1.00 0.00 H new ATOM 633 N SER A 45 5.630 4.143 1.630 1.00 0.00 N ATOM 634 CA SER A 45 4.998 3.309 2.646 1.00 0.00 C ATOM 635 C SER A 45 3.478 3.368 2.530 1.00 0.00 C ATOM 636 O SER A 45 2.885 4.446 2.541 1.00 0.00 O ATOM 637 CB SER A 45 5.432 3.755 4.044 1.00 0.00 C ATOM 638 OG SER A 45 4.541 3.269 5.033 1.00 0.00 O ATOM 0 H SER A 45 5.097 4.975 1.377 1.00 0.00 H new ATOM 0 HA SER A 45 5.317 2.279 2.485 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.440 3.393 4.248 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.469 4.844 4.087 1.00 0.00 H new ATOM 0 HG SER A 45 5.051 2.834 5.747 1.00 0.00 H new ATOM 644 N VAL A 46 2.854 2.200 2.418 1.00 0.00 N ATOM 645 CA VAL A 46 1.403 2.117 2.300 1.00 0.00 C ATOM 646 C VAL A 46 0.778 1.575 3.580 1.00 0.00 C ATOM 647 O VAL A 46 1.044 0.442 3.981 1.00 0.00 O ATOM 648 CB VAL A 46 0.986 1.220 1.119 1.00 0.00 C ATOM 649 CG1 VAL A 46 -0.504 0.922 1.175 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.358 1.874 -0.203 1.00 0.00 C ATOM 0 H VAL A 46 3.330 1.298 2.406 1.00 0.00 H new ATOM 0 HA VAL A 46 1.042 3.130 2.123 1.00 0.00 H new ATOM 0 HB VAL A 46 1.524 0.275 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.780 0.287 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.738 0.409 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.064 1.856 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.056 1.227 -1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.849 2.834 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.436 2.031 -0.241 1.00 0.00 H new ATOM 660 N GLU A 47 -0.055 2.392 4.218 1.00 0.00 N ATOM 661 CA GLU A 47 -0.717 1.993 5.454 1.00 0.00 C ATOM 662 C GLU A 47 -2.203 1.736 5.217 1.00 0.00 C ATOM 663 O GLU A 47 -2.976 2.667 4.993 1.00 0.00 O ATOM 664 CB GLU A 47 -0.540 3.072 6.525 1.00 0.00 C ATOM 665 CG GLU A 47 -0.973 2.630 7.912 1.00 0.00 C ATOM 666 CD GLU A 47 -0.366 3.480 9.011 1.00 0.00 C ATOM 667 OE1 GLU A 47 -0.775 4.653 9.147 1.00 0.00 O ATOM 668 OE2 GLU A 47 0.516 2.974 9.735 1.00 0.00 O ATOM 0 H GLU A 47 -0.287 3.333 3.899 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.256 1.068 5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.508 3.370 6.559 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.113 3.954 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.060 2.676 7.981 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.687 1.589 8.063 1.00 0.00 H new ATOM 675 N MET A 48 -2.592 0.467 5.266 1.00 0.00 N ATOM 676 CA MET A 48 -3.985 0.086 5.057 1.00 0.00 C ATOM 677 C MET A 48 -4.721 -0.033 6.387 1.00 0.00 C ATOM 678 O MET A 48 -4.141 -0.436 7.395 1.00 0.00 O ATOM 679 CB MET A 48 -4.065 -1.238 4.295 1.00 0.00 C ATOM 680 CG MET A 48 -5.482 -1.770 4.150 1.00 0.00 C ATOM 681 SD MET A 48 -5.527 -3.539 3.804 1.00 0.00 S ATOM 682 CE MET A 48 -5.124 -4.210 5.415 1.00 0.00 C ATOM 0 H MET A 48 -1.963 -0.315 5.448 1.00 0.00 H new ATOM 0 HA MET A 48 -4.465 0.866 4.466 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.633 -1.104 3.303 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.457 -1.982 4.810 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.037 -1.569 5.066 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.987 -1.234 3.347 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.360 -4.980 5.308 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.749 -3.413 6.057 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.018 -4.646 5.862 1.00 0.00 H new ATOM 692 N SER A 49 -6.003 0.320 6.383 1.00 0.00 N ATOM 693 CA SER A 49 -6.817 0.256 7.591 1.00 0.00 C ATOM 694 C SER A 49 -8.272 -0.052 7.250 1.00 0.00 C ATOM 695 O SER A 49 -8.858 0.527 6.335 1.00 0.00 O ATOM 696 CB SER A 49 -6.731 1.576 8.360 1.00 0.00 C ATOM 697 OG SER A 49 -7.930 1.832 9.070 1.00 0.00 O ATOM 0 H SER A 49 -6.500 0.653 5.557 1.00 0.00 H new ATOM 0 HA SER A 49 -6.430 -0.548 8.218 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.893 1.541 9.056 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.535 2.393 7.666 1.00 0.00 H new ATOM 0 HG SER A 49 -7.849 2.680 9.554 1.00 0.00 H new ATOM 703 N PRO A 50 -8.870 -0.988 8.002 1.00 0.00 N ATOM 704 CA PRO A 50 -10.264 -1.395 7.799 1.00 0.00 C ATOM 705 C PRO A 50 -11.250 -0.303 8.198 1.00 0.00 C ATOM 706 O PRO A 50 -11.470 -0.055 9.384 1.00 0.00 O ATOM 707 CB PRO A 50 -10.414 -2.612 8.715 1.00 0.00 C ATOM 708 CG PRO A 50 -9.385 -2.419 9.775 1.00 0.00 C ATOM 709 CD PRO A 50 -8.232 -1.719 9.109 1.00 0.00 C ATOM 0 HA PRO A 50 -10.480 -1.604 6.751 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.416 -2.665 9.141 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.250 -3.541 8.169 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.780 -1.824 10.599 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.072 -3.375 10.194 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.722 -1.043 9.795 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.487 -2.427 8.746 1.00 0.00 H new ATOM 717 N ILE A 51 -11.842 0.346 7.201 1.00 0.00 N ATOM 718 CA ILE A 51 -12.807 1.410 7.449 1.00 0.00 C ATOM 719 C ILE A 51 -13.644 1.115 8.689 1.00 0.00 C ATOM 720 O ILE A 51 -13.967 2.017 9.461 1.00 0.00 O ATOM 721 CB ILE A 51 -13.746 1.610 6.245 1.00 0.00 C ATOM 722 CG1 ILE A 51 -15.023 2.333 6.681 1.00 0.00 C ATOM 723 CG2 ILE A 51 -14.082 0.271 5.606 1.00 0.00 C ATOM 724 CD1 ILE A 51 -15.653 3.161 5.583 1.00 0.00 C ATOM 0 H ILE A 51 -11.670 0.154 6.214 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.235 2.324 7.609 1.00 0.00 H new ATOM 0 HB ILE A 51 -13.236 2.226 5.504 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.747 1.597 7.030 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.793 2.981 7.527 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -14.746 0.430 4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.165 -0.210 5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.576 -0.368 6.338 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -16.553 3.645 5.963 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.946 3.921 5.249 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.914 2.515 4.745 1.00 0.00 H new ATOM 736 N GLU A 52 -13.991 -0.155 8.874 1.00 0.00 N ATOM 737 CA GLU A 52 -14.790 -0.569 10.022 1.00 0.00 C ATOM 738 C GLU A 52 -14.123 -0.150 11.328 1.00 0.00 C ATOM 739 O GLU A 52 -14.768 0.402 12.220 1.00 0.00 O ATOM 740 CB GLU A 52 -15.000 -2.084 10.005 1.00 0.00 C ATOM 741 CG GLU A 52 -13.731 -2.871 9.723 1.00 0.00 C ATOM 742 CD GLU A 52 -13.956 -4.371 9.755 1.00 0.00 C ATOM 743 OE1 GLU A 52 -14.766 -4.832 10.585 1.00 0.00 O ATOM 744 OE2 GLU A 52 -13.320 -5.082 8.949 1.00 0.00 O ATOM 0 H GLU A 52 -13.732 -0.914 8.244 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.759 -0.075 9.955 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.405 -2.397 10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.746 -2.331 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.341 -2.587 8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -12.972 -2.605 10.459 1.00 0.00 H new ATOM 751 N LYS A 53 -12.826 -0.418 11.436 1.00 0.00 N ATOM 752 CA LYS A 53 -12.068 -0.070 12.632 1.00 0.00 C ATOM 753 C LYS A 53 -10.753 0.610 12.265 1.00 0.00 C ATOM 754 O LYS A 53 -10.095 0.228 11.297 1.00 0.00 O ATOM 755 CB LYS A 53 -11.791 -1.323 13.467 1.00 0.00 C ATOM 756 CG LYS A 53 -11.035 -2.402 12.712 1.00 0.00 C ATOM 757 CD LYS A 53 -11.308 -3.781 13.289 1.00 0.00 C ATOM 758 CE LYS A 53 -10.547 -4.861 12.536 1.00 0.00 C ATOM 759 NZ LYS A 53 -11.287 -5.321 11.328 1.00 0.00 N ATOM 0 H LYS A 53 -12.277 -0.876 10.708 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.665 0.627 13.220 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.219 -1.041 14.351 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.738 -1.733 13.818 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.324 -2.382 11.661 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.966 -2.195 12.753 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.023 -3.799 14.341 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.377 -3.990 13.245 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.571 -4.478 12.240 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.369 -5.709 13.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.743 -6.069 10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.215 -5.694 11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.419 -4.521 10.677 1.00 0.00 H new ATOM 773 N ASP A 54 -10.376 1.617 13.044 1.00 0.00 N ATOM 774 CA ASP A 54 -9.138 2.349 12.802 1.00 0.00 C ATOM 775 C ASP A 54 -7.929 1.534 13.250 1.00 0.00 C ATOM 776 O ASP A 54 -7.462 1.670 14.381 1.00 0.00 O ATOM 777 CB ASP A 54 -9.163 3.692 13.533 1.00 0.00 C ATOM 778 CG ASP A 54 -7.966 4.558 13.194 1.00 0.00 C ATOM 779 OD1 ASP A 54 -6.892 4.348 13.795 1.00 0.00 O ATOM 780 OD2 ASP A 54 -8.103 5.446 12.326 1.00 0.00 O ATOM 0 H ASP A 54 -10.910 1.946 13.849 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.055 2.530 11.730 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.078 4.225 13.276 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.188 3.517 14.608 1.00 0.00 H new ATOM 785 N GLU A 55 -7.427 0.688 12.356 1.00 0.00 N ATOM 786 CA GLU A 55 -6.274 -0.150 12.661 1.00 0.00 C ATOM 787 C GLU A 55 -5.239 -0.080 11.542 1.00 0.00 C ATOM 788 O GLU A 55 -4.948 -1.068 10.868 1.00 0.00 O ATOM 789 CB GLU A 55 -6.711 -1.600 12.876 1.00 0.00 C ATOM 790 CG GLU A 55 -5.738 -2.412 13.715 1.00 0.00 C ATOM 791 CD GLU A 55 -6.276 -3.785 14.068 1.00 0.00 C ATOM 792 OE1 GLU A 55 -6.468 -4.602 13.142 1.00 0.00 O ATOM 793 OE2 GLU A 55 -6.506 -4.043 15.268 1.00 0.00 O ATOM 0 H GLU A 55 -7.801 0.565 11.415 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.819 0.224 13.578 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.688 -1.608 13.359 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.831 -2.082 11.906 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.800 -2.522 13.171 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.513 -1.867 14.632 1.00 0.00 H new ATOM 800 N PRO A 56 -4.669 1.117 11.337 1.00 0.00 N ATOM 801 CA PRO A 56 -3.658 1.346 10.301 1.00 0.00 C ATOM 802 C PRO A 56 -2.334 0.661 10.621 1.00 0.00 C ATOM 803 O PRO A 56 -1.790 0.821 11.714 1.00 0.00 O ATOM 804 CB PRO A 56 -3.487 2.867 10.302 1.00 0.00 C ATOM 805 CG PRO A 56 -3.887 3.292 11.673 1.00 0.00 C ATOM 806 CD PRO A 56 -4.967 2.339 12.103 1.00 0.00 C ATOM 0 HA PRO A 56 -3.963 0.938 9.337 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.457 3.150 10.085 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.113 3.336 9.543 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.039 3.254 12.356 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.251 4.320 11.673 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.938 2.157 13.177 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.960 2.726 11.872 1.00 0.00 H new ATOM 814 N ARG A 57 -1.820 -0.102 9.662 1.00 0.00 N ATOM 815 CA ARG A 57 -0.560 -0.812 9.842 1.00 0.00 C ATOM 816 C ARG A 57 0.179 -0.954 8.515 1.00 0.00 C ATOM 817 O ARG A 57 -0.391 -1.402 7.521 1.00 0.00 O ATOM 818 CB ARG A 57 -0.811 -2.193 10.449 1.00 0.00 C ATOM 819 CG ARG A 57 -1.239 -3.237 9.431 1.00 0.00 C ATOM 820 CD ARG A 57 -2.580 -2.888 8.805 1.00 0.00 C ATOM 821 NE ARG A 57 -3.323 -4.079 8.402 1.00 0.00 N ATOM 822 CZ ARG A 57 -3.986 -4.854 9.252 1.00 0.00 C ATOM 823 NH1 ARG A 57 -3.999 -4.566 10.546 1.00 0.00 N ATOM 824 NH2 ARG A 57 -4.638 -5.922 8.809 1.00 0.00 N ATOM 0 H ARG A 57 -2.257 -0.244 8.752 1.00 0.00 H new ATOM 0 HA ARG A 57 0.062 -0.231 10.523 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.098 -2.533 10.945 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.581 -2.109 11.216 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.482 -3.318 8.651 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.304 -4.212 9.914 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.174 -2.314 9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.419 -2.250 7.936 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.333 -4.329 7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.499 -3.747 10.891 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.509 -5.163 11.196 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.630 -6.148 7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.147 -6.517 9.463 1.00 0.00 H new ATOM 838 N GLU A 58 1.452 -0.568 8.508 1.00 0.00 N ATOM 839 CA GLU A 58 2.268 -0.652 7.302 1.00 0.00 C ATOM 840 C GLU A 58 2.163 -2.037 6.670 1.00 0.00 C ATOM 841 O GLU A 58 2.678 -3.017 7.207 1.00 0.00 O ATOM 842 CB GLU A 58 3.729 -0.336 7.626 1.00 0.00 C ATOM 843 CG GLU A 58 4.694 -0.709 6.512 1.00 0.00 C ATOM 844 CD GLU A 58 6.138 -0.726 6.973 1.00 0.00 C ATOM 845 OE1 GLU A 58 6.597 0.297 7.523 1.00 0.00 O ATOM 846 OE2 GLU A 58 6.810 -1.761 6.784 1.00 0.00 O ATOM 0 H GLU A 58 1.939 -0.195 9.323 1.00 0.00 H new ATOM 0 HA GLU A 58 1.895 0.083 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.824 0.729 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.014 -0.866 8.535 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.430 -1.692 6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.587 -0.000 5.691 1.00 0.00 H new ATOM 853 N VAL A 59 1.492 -2.109 5.524 1.00 0.00 N ATOM 854 CA VAL A 59 1.320 -3.372 4.817 1.00 0.00 C ATOM 855 C VAL A 59 2.349 -3.522 3.702 1.00 0.00 C ATOM 856 O VAL A 59 2.591 -4.625 3.211 1.00 0.00 O ATOM 857 CB VAL A 59 -0.093 -3.491 4.217 1.00 0.00 C ATOM 858 CG1 VAL A 59 -1.145 -3.446 5.314 1.00 0.00 C ATOM 859 CG2 VAL A 59 -0.331 -2.391 3.193 1.00 0.00 C ATOM 0 H VAL A 59 1.059 -1.307 5.066 1.00 0.00 H new ATOM 0 HA VAL A 59 1.464 -4.167 5.549 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.173 -4.452 3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.137 -3.531 4.871 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.985 -4.273 6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.069 -2.502 5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.334 -2.490 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.232 -1.418 3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.402 -2.476 2.391 1.00 0.00 H new ATOM 869 N TYR A 60 2.952 -2.407 3.307 1.00 0.00 N ATOM 870 CA TYR A 60 3.954 -2.414 2.248 1.00 0.00 C ATOM 871 C TYR A 60 4.971 -1.295 2.453 1.00 0.00 C ATOM 872 O TYR A 60 4.655 -0.252 3.025 1.00 0.00 O ATOM 873 CB TYR A 60 3.283 -2.264 0.881 1.00 0.00 C ATOM 874 CG TYR A 60 4.243 -1.899 -0.228 1.00 0.00 C ATOM 875 CD1 TYR A 60 4.694 -0.594 -0.383 1.00 0.00 C ATOM 876 CD2 TYR A 60 4.701 -2.860 -1.121 1.00 0.00 C ATOM 877 CE1 TYR A 60 5.570 -0.256 -1.395 1.00 0.00 C ATOM 878 CE2 TYR A 60 5.579 -2.531 -2.136 1.00 0.00 C ATOM 879 CZ TYR A 60 6.010 -1.228 -2.269 1.00 0.00 C ATOM 880 OH TYR A 60 6.885 -0.896 -3.279 1.00 0.00 O ATOM 0 H TYR A 60 2.765 -1.486 3.704 1.00 0.00 H new ATOM 0 HA TYR A 60 4.478 -3.369 2.285 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.785 -3.199 0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.510 -1.499 0.947 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.353 0.170 0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.365 -3.881 -1.020 1.00 0.00 H new ATOM 0 HE1 TYR A 60 5.909 0.764 -1.502 1.00 0.00 H new ATOM 0 HE2 TYR A 60 5.926 -3.290 -2.821 1.00 0.00 H new ATOM 0 HH TYR A 60 6.755 0.043 -3.529 1.00 0.00 H new ATOM 890 N GLN A 61 6.192 -1.521 1.980 1.00 0.00 N ATOM 891 CA GLN A 61 7.256 -0.532 2.111 1.00 0.00 C ATOM 892 C GLN A 61 8.439 -0.884 1.215 1.00 0.00 C ATOM 893 O GLN A 61 9.104 -1.899 1.417 1.00 0.00 O ATOM 894 CB GLN A 61 7.715 -0.436 3.567 1.00 0.00 C ATOM 895 CG GLN A 61 8.610 0.761 3.845 1.00 0.00 C ATOM 896 CD GLN A 61 8.923 0.926 5.319 1.00 0.00 C ATOM 897 OE1 GLN A 61 9.843 0.299 5.844 1.00 0.00 O ATOM 898 NE2 GLN A 61 8.157 1.774 5.995 1.00 0.00 N ATOM 0 H GLN A 61 6.469 -2.379 1.503 1.00 0.00 H new ATOM 0 HA GLN A 61 6.861 0.434 1.797 1.00 0.00 H new ATOM 0 HB2 GLN A 61 6.839 -0.382 4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.250 -1.348 3.832 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.541 0.650 3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.125 1.665 3.477 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.405 2.273 5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.320 1.927 6.990 1.00 0.00 H new ATOM 907 N GLY A 62 8.696 -0.037 0.222 1.00 0.00 N ATOM 908 CA GLY A 62 9.799 -0.277 -0.690 1.00 0.00 C ATOM 909 C GLY A 62 10.098 0.924 -1.566 1.00 0.00 C ATOM 910 O GLY A 62 9.830 2.063 -1.183 1.00 0.00 O ATOM 0 H GLY A 62 8.160 0.810 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.690 -0.536 -0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.565 -1.134 -1.321 1.00 0.00 H new ATOM 914 N SER A 63 10.656 0.670 -2.745 1.00 0.00 N ATOM 915 CA SER A 63 10.997 1.740 -3.676 1.00 0.00 C ATOM 916 C SER A 63 10.008 1.785 -4.837 1.00 0.00 C ATOM 917 O SER A 63 9.947 2.768 -5.575 1.00 0.00 O ATOM 918 CB SER A 63 12.418 1.547 -4.209 1.00 0.00 C ATOM 919 OG SER A 63 12.470 0.490 -5.152 1.00 0.00 O ATOM 0 H SER A 63 10.882 -0.267 -3.079 1.00 0.00 H new ATOM 0 HA SER A 63 10.944 2.687 -3.139 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.764 2.470 -4.674 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.094 1.334 -3.381 1.00 0.00 H new ATOM 0 HG SER A 63 13.388 0.388 -5.479 1.00 0.00 H new ATOM 925 N GLU A 64 9.236 0.714 -4.991 1.00 0.00 N ATOM 926 CA GLU A 64 8.250 0.632 -6.062 1.00 0.00 C ATOM 927 C GLU A 64 6.987 1.408 -5.701 1.00 0.00 C ATOM 928 O GLU A 64 6.782 1.778 -4.545 1.00 0.00 O ATOM 929 CB GLU A 64 7.899 -0.829 -6.351 1.00 0.00 C ATOM 930 CG GLU A 64 8.809 -1.482 -7.378 1.00 0.00 C ATOM 931 CD GLU A 64 8.124 -2.605 -8.134 1.00 0.00 C ATOM 932 OE1 GLU A 64 7.079 -2.345 -8.766 1.00 0.00 O ATOM 933 OE2 GLU A 64 8.635 -3.744 -8.092 1.00 0.00 O ATOM 0 H GLU A 64 9.274 -0.108 -4.388 1.00 0.00 H new ATOM 0 HA GLU A 64 8.686 1.078 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.948 -1.396 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.869 -0.884 -6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.151 -0.728 -8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.694 -1.873 -6.877 1.00 0.00 H new ATOM 940 N VAL A 65 6.143 1.651 -6.698 1.00 0.00 N ATOM 941 CA VAL A 65 4.899 2.382 -6.486 1.00 0.00 C ATOM 942 C VAL A 65 3.688 1.492 -6.740 1.00 0.00 C ATOM 943 O VAL A 65 2.582 1.982 -6.964 1.00 0.00 O ATOM 944 CB VAL A 65 4.813 3.619 -7.400 1.00 0.00 C ATOM 945 CG1 VAL A 65 5.990 4.550 -7.150 1.00 0.00 C ATOM 946 CG2 VAL A 65 4.755 3.200 -8.861 1.00 0.00 C ATOM 0 H VAL A 65 6.298 1.352 -7.661 1.00 0.00 H new ATOM 0 HA VAL A 65 4.896 2.706 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 65 3.896 4.160 -7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.913 5.418 -7.804 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.981 4.877 -6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.921 4.022 -7.356 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.695 4.087 -9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.653 2.636 -9.114 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.876 2.577 -9.026 1.00 0.00 H new ATOM 956 N GLU A 66 3.906 0.181 -6.702 1.00 0.00 N ATOM 957 CA GLU A 66 2.831 -0.778 -6.929 1.00 0.00 C ATOM 958 C GLU A 66 3.083 -2.070 -6.157 1.00 0.00 C ATOM 959 O GLU A 66 4.143 -2.685 -6.283 1.00 0.00 O ATOM 960 CB GLU A 66 2.695 -1.082 -8.422 1.00 0.00 C ATOM 961 CG GLU A 66 3.961 -1.643 -9.047 1.00 0.00 C ATOM 962 CD GLU A 66 3.898 -1.678 -10.562 1.00 0.00 C ATOM 963 OE1 GLU A 66 3.406 -2.684 -11.113 1.00 0.00 O ATOM 964 OE2 GLU A 66 4.342 -0.697 -11.196 1.00 0.00 O ATOM 0 H GLU A 66 4.816 -0.241 -6.516 1.00 0.00 H new ATOM 0 HA GLU A 66 1.902 -0.335 -6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.882 -1.794 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.415 -0.168 -8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.813 -1.039 -8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.131 -2.652 -8.671 1.00 0.00 H new ATOM 971 N CYS A 67 2.102 -2.475 -5.357 1.00 0.00 N ATOM 972 CA CYS A 67 2.217 -3.693 -4.563 1.00 0.00 C ATOM 973 C CYS A 67 0.882 -4.427 -4.497 1.00 0.00 C ATOM 974 O CYS A 67 -0.095 -4.021 -5.128 1.00 0.00 O ATOM 975 CB CYS A 67 2.701 -3.362 -3.151 1.00 0.00 C ATOM 976 SG CYS A 67 1.391 -2.819 -2.029 1.00 0.00 S ATOM 0 H CYS A 67 1.219 -1.978 -5.241 1.00 0.00 H new ATOM 0 HA CYS A 67 2.946 -4.344 -5.046 1.00 0.00 H new ATOM 0 HB2 CYS A 67 3.184 -4.243 -2.728 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.459 -2.581 -3.212 1.00 0.00 H new ATOM 0 HG CYS A 67 1.212 -1.538 -2.159 1.00 0.00 H new ATOM 982 N THR A 68 0.846 -5.512 -3.729 1.00 0.00 N ATOM 983 CA THR A 68 -0.369 -6.304 -3.582 1.00 0.00 C ATOM 984 C THR A 68 -0.617 -6.664 -2.121 1.00 0.00 C ATOM 985 O THR A 68 0.159 -7.399 -1.512 1.00 0.00 O ATOM 986 CB THR A 68 -0.298 -7.599 -4.413 1.00 0.00 C ATOM 987 OG1 THR A 68 -0.071 -7.285 -5.791 1.00 0.00 O ATOM 988 CG2 THR A 68 -1.583 -8.401 -4.275 1.00 0.00 C ATOM 0 H THR A 68 1.644 -5.862 -3.199 1.00 0.00 H new ATOM 0 HA THR A 68 -1.193 -5.691 -3.947 1.00 0.00 H new ATOM 0 HB THR A 68 0.529 -8.201 -4.037 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.325 -6.354 -5.960 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.510 -9.311 -4.870 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.737 -8.664 -3.228 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.424 -7.804 -4.627 1.00 0.00 H new ATOM 996 N VAL A 69 -1.705 -6.141 -1.565 1.00 0.00 N ATOM 997 CA VAL A 69 -2.057 -6.408 -0.176 1.00 0.00 C ATOM 998 C VAL A 69 -2.760 -7.754 -0.036 1.00 0.00 C ATOM 999 O VAL A 69 -3.406 -8.228 -0.971 1.00 0.00 O ATOM 1000 CB VAL A 69 -2.967 -5.304 0.395 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -3.066 -5.423 1.909 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -2.455 -3.930 -0.008 1.00 0.00 C ATOM 0 H VAL A 69 -2.358 -5.530 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.125 -6.428 0.388 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.966 -5.430 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.713 -4.635 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.483 -6.395 2.171 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.073 -5.324 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.110 -3.162 0.404 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.445 -3.791 0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.442 -3.851 -1.095 1.00 0.00 H new ATOM 1012 N SER A 70 -2.631 -8.364 1.137 1.00 0.00 N ATOM 1013 CA SER A 70 -3.251 -9.658 1.399 1.00 0.00 C ATOM 1014 C SER A 70 -3.640 -9.786 2.868 1.00 0.00 C ATOM 1015 O SER A 70 -3.389 -8.887 3.670 1.00 0.00 O ATOM 1016 CB SER A 70 -2.300 -10.791 1.011 1.00 0.00 C ATOM 1017 OG SER A 70 -1.227 -10.894 1.930 1.00 0.00 O ATOM 0 H SER A 70 -2.103 -7.983 1.922 1.00 0.00 H new ATOM 0 HA SER A 70 -4.155 -9.729 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.847 -11.733 0.978 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.909 -10.615 0.009 1.00 0.00 H new ATOM 0 HG SER A 70 -0.635 -11.627 1.660 1.00 0.00 H new ATOM 1023 N SER A 71 -4.256 -10.912 3.215 1.00 0.00 N ATOM 1024 CA SER A 71 -4.685 -11.159 4.587 1.00 0.00 C ATOM 1025 C SER A 71 -5.858 -10.257 4.960 1.00 0.00 C ATOM 1026 O SER A 71 -5.934 -9.749 6.079 1.00 0.00 O ATOM 1027 CB SER A 71 -3.523 -10.930 5.555 1.00 0.00 C ATOM 1028 OG SER A 71 -3.790 -11.510 6.819 1.00 0.00 O ATOM 0 H SER A 71 -4.469 -11.668 2.564 1.00 0.00 H new ATOM 0 HA SER A 71 -5.010 -12.197 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.611 -11.358 5.140 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.348 -9.860 5.672 1.00 0.00 H new ATOM 0 HG SER A 71 -4.624 -11.141 7.179 1.00 0.00 H new ATOM 1034 N LEU A 72 -6.770 -10.063 4.014 1.00 0.00 N ATOM 1035 CA LEU A 72 -7.941 -9.222 4.242 1.00 0.00 C ATOM 1036 C LEU A 72 -9.221 -10.050 4.199 1.00 0.00 C ATOM 1037 O LEU A 72 -9.182 -11.266 4.007 1.00 0.00 O ATOM 1038 CB LEU A 72 -8.005 -8.108 3.195 1.00 0.00 C ATOM 1039 CG LEU A 72 -6.661 -7.619 2.653 1.00 0.00 C ATOM 1040 CD1 LEU A 72 -6.868 -6.729 1.438 1.00 0.00 C ATOM 1041 CD2 LEU A 72 -5.888 -6.877 3.734 1.00 0.00 C ATOM 0 H LEU A 72 -6.722 -10.476 3.083 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.851 -8.776 5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.606 -8.459 2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.530 -7.258 3.630 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.077 -8.487 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.901 -6.390 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.380 -7.292 0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.471 -5.866 1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.934 -6.536 3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.467 -6.017 4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.708 -7.545 4.576 1.00 0.00 H new ATOM 1053 N LEU A 73 -10.356 -9.383 4.376 1.00 0.00 N ATOM 1054 CA LEU A 73 -11.651 -10.056 4.355 1.00 0.00 C ATOM 1055 C LEU A 73 -12.456 -9.650 3.125 1.00 0.00 C ATOM 1056 O LEU A 73 -12.515 -8.478 2.751 1.00 0.00 O ATOM 1057 CB LEU A 73 -12.438 -9.729 5.625 1.00 0.00 C ATOM 1058 CG LEU A 73 -11.748 -10.064 6.948 1.00 0.00 C ATOM 1059 CD1 LEU A 73 -12.512 -9.462 8.117 1.00 0.00 C ATOM 1060 CD2 LEU A 73 -11.617 -11.571 7.114 1.00 0.00 C ATOM 0 H LEU A 73 -10.406 -8.377 4.536 1.00 0.00 H new ATOM 0 HA LEU A 73 -11.474 -11.131 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -12.671 -8.664 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -13.387 -10.264 5.588 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.748 -9.631 6.933 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.006 -9.711 9.050 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.554 -8.379 8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.525 -9.864 8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.124 -11.791 8.061 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.608 -12.025 7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.025 -11.977 6.294 1.00 0.00 H new ATOM 1072 N PRO A 74 -13.093 -10.639 2.482 1.00 0.00 N ATOM 1073 CA PRO A 74 -13.909 -10.409 1.286 1.00 0.00 C ATOM 1074 C PRO A 74 -15.195 -9.652 1.599 1.00 0.00 C ATOM 1075 O PRO A 74 -15.666 -9.651 2.736 1.00 0.00 O ATOM 1076 CB PRO A 74 -14.227 -11.824 0.796 1.00 0.00 C ATOM 1077 CG PRO A 74 -14.136 -12.676 2.014 1.00 0.00 C ATOM 1078 CD PRO A 74 -13.067 -12.059 2.872 1.00 0.00 C ATOM 0 HA PRO A 74 -13.390 -9.795 0.550 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.221 -11.875 0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.519 -12.147 0.033 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -15.090 -12.707 2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.882 -13.704 1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -13.279 -12.188 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.092 -12.509 2.685 1.00 0.00 H new ATOM 1086 N GLY A 75 -15.761 -9.008 0.582 1.00 0.00 N ATOM 1087 CA GLY A 75 -16.988 -8.256 0.769 1.00 0.00 C ATOM 1088 C GLY A 75 -16.858 -7.193 1.842 1.00 0.00 C ATOM 1089 O GLY A 75 -17.853 -6.770 2.432 1.00 0.00 O ATOM 0 H GLY A 75 -15.391 -8.994 -0.368 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.269 -7.785 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.793 -8.941 1.036 1.00 0.00 H new ATOM 1093 N LYS A 76 -15.628 -6.760 2.097 1.00 0.00 N ATOM 1094 CA LYS A 76 -15.370 -5.739 3.107 1.00 0.00 C ATOM 1095 C LYS A 76 -14.490 -4.628 2.544 1.00 0.00 C ATOM 1096 O LYS A 76 -13.583 -4.881 1.750 1.00 0.00 O ATOM 1097 CB LYS A 76 -14.700 -6.364 4.333 1.00 0.00 C ATOM 1098 CG LYS A 76 -15.594 -7.333 5.087 1.00 0.00 C ATOM 1099 CD LYS A 76 -16.577 -6.601 5.986 1.00 0.00 C ATOM 1100 CE LYS A 76 -15.985 -6.342 7.363 1.00 0.00 C ATOM 1101 NZ LYS A 76 -17.039 -6.258 8.412 1.00 0.00 N ATOM 0 H LYS A 76 -14.794 -7.100 1.618 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.325 -5.306 3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.797 -6.887 4.016 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.387 -5.569 5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.141 -7.953 4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.980 -8.004 5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.858 -5.654 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.489 -7.190 6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.286 -7.140 7.614 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.416 -5.413 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.596 -6.081 9.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.692 -5.481 8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.566 -7.154 8.447 1.00 0.00 H new ATOM 1115 N THR A 77 -14.761 -3.395 2.962 1.00 0.00 N ATOM 1116 CA THR A 77 -13.994 -2.246 2.500 1.00 0.00 C ATOM 1117 C THR A 77 -12.756 -2.029 3.362 1.00 0.00 C ATOM 1118 O THR A 77 -12.690 -2.496 4.499 1.00 0.00 O ATOM 1119 CB THR A 77 -14.845 -0.962 2.511 1.00 0.00 C ATOM 1120 OG1 THR A 77 -15.963 -1.107 1.629 1.00 0.00 O ATOM 1121 CG2 THR A 77 -14.014 0.241 2.090 1.00 0.00 C ATOM 0 H THR A 77 -15.506 -3.167 3.620 1.00 0.00 H new ATOM 0 HA THR A 77 -13.687 -2.461 1.476 1.00 0.00 H new ATOM 0 HB THR A 77 -15.204 -0.799 3.527 1.00 0.00 H new ATOM 0 HG1 THR A 77 -16.499 -0.287 1.643 1.00 0.00 H new ATOM 0 HG21 THR A 77 -14.636 1.136 2.105 1.00 0.00 H new ATOM 0 HG22 THR A 77 -13.180 0.367 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 77 -13.630 0.083 1.082 1.00 0.00 H new ATOM 1129 N TYR A 78 -11.777 -1.317 2.815 1.00 0.00 N ATOM 1130 CA TYR A 78 -10.539 -1.040 3.534 1.00 0.00 C ATOM 1131 C TYR A 78 -9.926 0.279 3.074 1.00 0.00 C ATOM 1132 O TYR A 78 -9.668 0.477 1.887 1.00 0.00 O ATOM 1133 CB TYR A 78 -9.539 -2.179 3.328 1.00 0.00 C ATOM 1134 CG TYR A 78 -9.837 -3.404 4.163 1.00 0.00 C ATOM 1135 CD1 TYR A 78 -10.869 -4.268 3.820 1.00 0.00 C ATOM 1136 CD2 TYR A 78 -9.085 -3.698 5.294 1.00 0.00 C ATOM 1137 CE1 TYR A 78 -11.146 -5.388 4.580 1.00 0.00 C ATOM 1138 CE2 TYR A 78 -9.353 -4.817 6.059 1.00 0.00 C ATOM 1139 CZ TYR A 78 -10.385 -5.658 5.698 1.00 0.00 C ATOM 1140 OH TYR A 78 -10.656 -6.774 6.457 1.00 0.00 O ATOM 0 H TYR A 78 -11.817 -0.921 1.876 1.00 0.00 H new ATOM 0 HA TYR A 78 -10.775 -0.960 4.595 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.533 -2.460 2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.538 -1.821 3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -11.465 -4.061 2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.277 -3.041 5.580 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.954 -6.048 4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.758 -5.032 6.934 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.028 -6.819 7.208 1.00 0.00 H new ATOM 1150 N SER A 79 -9.694 1.180 4.024 1.00 0.00 N ATOM 1151 CA SER A 79 -9.114 2.482 3.718 1.00 0.00 C ATOM 1152 C SER A 79 -7.598 2.383 3.584 1.00 0.00 C ATOM 1153 O SER A 79 -6.899 2.041 4.538 1.00 0.00 O ATOM 1154 CB SER A 79 -9.476 3.494 4.808 1.00 0.00 C ATOM 1155 OG SER A 79 -8.587 3.399 5.907 1.00 0.00 O ATOM 0 H SER A 79 -9.899 1.032 5.012 1.00 0.00 H new ATOM 0 HA SER A 79 -9.524 2.821 2.767 1.00 0.00 H new ATOM 0 HB2 SER A 79 -9.445 4.503 4.397 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.497 3.319 5.146 1.00 0.00 H new ATOM 0 HG SER A 79 -8.013 2.613 5.796 1.00 0.00 H new ATOM 1161 N PHE A 80 -7.095 2.686 2.392 1.00 0.00 N ATOM 1162 CA PHE A 80 -5.661 2.630 2.130 1.00 0.00 C ATOM 1163 C PHE A 80 -5.075 4.034 2.016 1.00 0.00 C ATOM 1164 O PHE A 80 -5.762 4.976 1.621 1.00 0.00 O ATOM 1165 CB PHE A 80 -5.385 1.845 0.846 1.00 0.00 C ATOM 1166 CG PHE A 80 -5.804 0.404 0.923 1.00 0.00 C ATOM 1167 CD1 PHE A 80 -7.135 0.048 0.784 1.00 0.00 C ATOM 1168 CD2 PHE A 80 -4.865 -0.593 1.134 1.00 0.00 C ATOM 1169 CE1 PHE A 80 -7.523 -1.277 0.855 1.00 0.00 C ATOM 1170 CE2 PHE A 80 -5.247 -1.919 1.206 1.00 0.00 C ATOM 1171 CZ PHE A 80 -6.577 -2.262 1.065 1.00 0.00 C ATOM 0 H PHE A 80 -7.659 2.973 1.592 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.184 2.122 2.968 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.908 2.323 0.018 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.319 1.894 0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.878 0.814 0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.823 -0.331 1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -8.564 -1.542 0.746 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.506 -2.687 1.372 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.877 -3.298 1.119 1.00 0.00 H new ATOM 1181 N ARG A 81 -3.799 4.166 2.367 1.00 0.00 N ATOM 1182 CA ARG A 81 -3.120 5.455 2.307 1.00 0.00 C ATOM 1183 C ARG A 81 -1.754 5.319 1.640 1.00 0.00 C ATOM 1184 O ARG A 81 -1.316 4.214 1.318 1.00 0.00 O ATOM 1185 CB ARG A 81 -2.957 6.036 3.712 1.00 0.00 C ATOM 1186 CG ARG A 81 -4.060 5.623 4.673 1.00 0.00 C ATOM 1187 CD ARG A 81 -4.315 6.694 5.722 1.00 0.00 C ATOM 1188 NE ARG A 81 -3.394 6.586 6.851 1.00 0.00 N ATOM 1189 CZ ARG A 81 -3.378 7.438 7.870 1.00 0.00 C ATOM 1190 NH1 ARG A 81 -4.228 8.455 7.902 1.00 0.00 N ATOM 1191 NH2 ARG A 81 -2.510 7.273 8.860 1.00 0.00 N ATOM 0 H ARG A 81 -3.216 3.397 2.696 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.732 6.132 1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.996 5.720 4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.933 7.124 3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.977 5.432 4.116 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.786 4.689 5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.215 7.679 5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.341 6.612 6.082 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.727 5.814 6.857 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.897 8.585 7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.213 9.108 8.686 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.855 6.492 8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.498 7.928 9.642 1.00 0.00 H new ATOM 1205 N LEU A 82 -1.086 6.449 1.435 1.00 0.00 N ATOM 1206 CA LEU A 82 0.230 6.456 0.806 1.00 0.00 C ATOM 1207 C LEU A 82 1.103 7.565 1.384 1.00 0.00 C ATOM 1208 O LEU A 82 0.627 8.668 1.652 1.00 0.00 O ATOM 1209 CB LEU A 82 0.093 6.636 -0.707 1.00 0.00 C ATOM 1210 CG LEU A 82 1.398 6.824 -1.481 1.00 0.00 C ATOM 1211 CD1 LEU A 82 2.266 5.580 -1.374 1.00 0.00 C ATOM 1212 CD2 LEU A 82 1.110 7.152 -2.939 1.00 0.00 C ATOM 0 H LEU A 82 -1.434 7.372 1.695 1.00 0.00 H new ATOM 0 HA LEU A 82 0.708 5.498 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.424 5.765 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.545 7.500 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 82 1.942 7.660 -1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.190 5.732 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.501 5.389 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.730 4.726 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.050 7.283 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.545 6.337 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.528 8.072 -2.997 1.00 0.00 H new ATOM 1224 N ARG A 83 2.384 7.264 1.573 1.00 0.00 N ATOM 1225 CA ARG A 83 3.325 8.236 2.118 1.00 0.00 C ATOM 1226 C ARG A 83 4.738 7.971 1.606 1.00 0.00 C ATOM 1227 O ARG A 83 5.191 6.828 1.567 1.00 0.00 O ATOM 1228 CB ARG A 83 3.308 8.190 3.647 1.00 0.00 C ATOM 1229 CG ARG A 83 4.187 7.098 4.234 1.00 0.00 C ATOM 1230 CD ARG A 83 4.295 7.221 5.745 1.00 0.00 C ATOM 1231 NE ARG A 83 4.705 5.966 6.369 1.00 0.00 N ATOM 1232 CZ ARG A 83 5.076 5.864 7.640 1.00 0.00 C ATOM 1233 NH1 ARG A 83 5.089 6.937 8.419 1.00 0.00 N ATOM 1234 NH2 ARG A 83 5.435 4.686 8.135 1.00 0.00 N ATOM 0 H ARG A 83 2.794 6.355 1.357 1.00 0.00 H new ATOM 0 HA ARG A 83 3.018 9.228 1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.635 9.155 4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.283 8.041 3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.777 6.122 3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.182 7.153 3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.014 8.002 5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.333 7.531 6.153 1.00 0.00 H new ATOM 0 HE ARG A 83 4.706 5.121 5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.814 7.844 8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.374 6.855 9.395 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.426 3.858 7.539 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.720 4.608 9.111 1.00 0.00 H new ATOM 1248 N ALA A 84 5.428 9.037 1.213 1.00 0.00 N ATOM 1249 CA ALA A 84 6.789 8.920 0.705 1.00 0.00 C ATOM 1250 C ALA A 84 7.806 9.353 1.756 1.00 0.00 C ATOM 1251 O ALA A 84 7.479 10.092 2.683 1.00 0.00 O ATOM 1252 CB ALA A 84 6.952 9.747 -0.562 1.00 0.00 C ATOM 0 H ALA A 84 5.067 9.991 1.237 1.00 0.00 H new ATOM 0 HA ALA A 84 6.974 7.872 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.973 9.650 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.257 9.390 -1.322 1.00 0.00 H new ATOM 0 HB3 ALA A 84 6.743 10.794 -0.342 1.00 0.00 H new ATOM 1258 N ALA A 85 9.042 8.887 1.604 1.00 0.00 N ATOM 1259 CA ALA A 85 10.107 9.227 2.539 1.00 0.00 C ATOM 1260 C ALA A 85 11.392 9.585 1.800 1.00 0.00 C ATOM 1261 O ALA A 85 11.703 9.006 0.760 1.00 0.00 O ATOM 1262 CB ALA A 85 10.352 8.074 3.501 1.00 0.00 C ATOM 0 H ALA A 85 9.330 8.273 0.842 1.00 0.00 H new ATOM 0 HA ALA A 85 9.792 10.101 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.150 8.341 4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.440 7.867 4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.642 7.186 2.939 1.00 0.00 H new ATOM 1268 N ASN A 86 12.135 10.542 2.346 1.00 0.00 N ATOM 1269 CA ASN A 86 13.387 10.978 1.737 1.00 0.00 C ATOM 1270 C ASN A 86 14.498 11.064 2.779 1.00 0.00 C ATOM 1271 O ASN A 86 14.299 10.720 3.945 1.00 0.00 O ATOM 1272 CB ASN A 86 13.203 12.337 1.059 1.00 0.00 C ATOM 1273 CG ASN A 86 12.581 13.365 1.984 1.00 0.00 C ATOM 1274 OD1 ASN A 86 12.651 13.239 3.207 1.00 0.00 O ATOM 1275 ND2 ASN A 86 11.967 14.390 1.403 1.00 0.00 N ATOM 0 H ASN A 86 11.892 11.030 3.208 1.00 0.00 H new ATOM 0 HA ASN A 86 13.673 10.241 0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.170 12.701 0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 86 12.574 12.218 0.177 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.529 15.113 1.974 1.00 0.00 H new ATOM 0 HD22 ASN A 86 11.933 14.454 0.386 1.00 0.00 H new ATOM 1282 N LYS A 87 15.668 11.525 2.352 1.00 0.00 N ATOM 1283 CA LYS A 87 16.812 11.659 3.247 1.00 0.00 C ATOM 1284 C LYS A 87 16.419 12.392 4.525 1.00 0.00 C ATOM 1285 O LYS A 87 17.081 12.262 5.555 1.00 0.00 O ATOM 1286 CB LYS A 87 17.949 12.405 2.547 1.00 0.00 C ATOM 1287 CG LYS A 87 17.482 13.600 1.734 1.00 0.00 C ATOM 1288 CD LYS A 87 18.656 14.407 1.203 1.00 0.00 C ATOM 1289 CE LYS A 87 19.224 15.331 2.269 1.00 0.00 C ATOM 1290 NZ LYS A 87 20.618 15.750 1.954 1.00 0.00 N ATOM 0 H LYS A 87 15.850 11.813 1.390 1.00 0.00 H new ATOM 0 HA LYS A 87 17.153 10.658 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 87 18.666 12.743 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 87 18.476 11.713 1.890 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.869 13.257 0.901 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.851 14.238 2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.436 13.730 0.853 1.00 0.00 H new ATOM 0 HD3 LYS A 87 18.335 14.995 0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 87 18.591 16.214 2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 87 19.206 14.826 3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 20.969 16.379 2.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 21.228 14.910 1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 20.632 16.255 1.045 1.00 0.00 H new ATOM 1304 N MET A 88 15.338 13.162 4.452 1.00 0.00 N ATOM 1305 CA MET A 88 14.856 13.914 5.605 1.00 0.00 C ATOM 1306 C MET A 88 14.014 13.028 6.519 1.00 0.00 C ATOM 1307 O MET A 88 14.282 12.921 7.714 1.00 0.00 O ATOM 1308 CB MET A 88 14.035 15.121 5.147 1.00 0.00 C ATOM 1309 CG MET A 88 14.724 15.954 4.078 1.00 0.00 C ATOM 1310 SD MET A 88 16.107 16.911 4.728 1.00 0.00 S ATOM 1311 CE MET A 88 17.346 15.631 4.914 1.00 0.00 C ATOM 0 H MET A 88 14.779 13.282 3.607 1.00 0.00 H new ATOM 0 HA MET A 88 15.722 14.265 6.166 1.00 0.00 H new ATOM 0 HB2 MET A 88 13.076 14.773 4.763 1.00 0.00 H new ATOM 0 HB3 MET A 88 13.823 15.754 6.009 1.00 0.00 H new ATOM 0 HG2 MET A 88 15.082 15.297 3.286 1.00 0.00 H new ATOM 0 HG3 MET A 88 13.999 16.631 3.627 1.00 0.00 H new ATOM 0 HE1 MET A 88 18.337 16.059 4.764 1.00 0.00 H new ATOM 0 HE2 MET A 88 17.282 15.206 5.915 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.174 14.848 4.176 1.00 0.00 H new ATOM 1321 N GLY A 89 12.994 12.396 5.946 1.00 0.00 N ATOM 1322 CA GLY A 89 12.129 11.528 6.724 1.00 0.00 C ATOM 1323 C GLY A 89 10.828 11.216 6.010 1.00 0.00 C ATOM 1324 O GLY A 89 10.678 11.506 4.823 1.00 0.00 O ATOM 0 H GLY A 89 12.751 12.469 4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 89 12.653 10.597 6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.910 12.001 7.681 1.00 0.00 H new ATOM 1328 N PHE A 90 9.886 10.622 6.734 1.00 0.00 N ATOM 1329 CA PHE A 90 8.592 10.267 6.162 1.00 0.00 C ATOM 1330 C PHE A 90 7.609 11.427 6.281 1.00 0.00 C ATOM 1331 O PHE A 90 7.608 12.157 7.271 1.00 0.00 O ATOM 1332 CB PHE A 90 8.024 9.029 6.860 1.00 0.00 C ATOM 1333 CG PHE A 90 8.513 7.735 6.275 1.00 0.00 C ATOM 1334 CD1 PHE A 90 9.766 7.241 6.601 1.00 0.00 C ATOM 1335 CD2 PHE A 90 7.718 7.011 5.401 1.00 0.00 C ATOM 1336 CE1 PHE A 90 10.218 6.051 6.064 1.00 0.00 C ATOM 1337 CE2 PHE A 90 8.165 5.819 4.861 1.00 0.00 C ATOM 1338 CZ PHE A 90 9.416 5.338 5.194 1.00 0.00 C ATOM 0 H PHE A 90 9.994 10.376 7.718 1.00 0.00 H new ATOM 0 HA PHE A 90 8.739 10.044 5.105 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.289 9.064 7.917 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.936 9.056 6.803 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.396 7.793 7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.738 7.382 5.139 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.198 5.678 6.324 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.537 5.265 4.180 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.767 4.406 4.775 1.00 0.00 H new ATOM 1348 N GLY A 91 6.771 11.592 5.261 1.00 0.00 N ATOM 1349 CA GLY A 91 5.794 12.665 5.269 1.00 0.00 C ATOM 1350 C GLY A 91 4.398 12.176 5.599 1.00 0.00 C ATOM 1351 O GLY A 91 4.194 11.021 5.976 1.00 0.00 O ATOM 0 H GLY A 91 6.752 11.001 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.093 13.419 5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.784 13.151 4.293 1.00 0.00 H new ATOM 1355 N PRO A 92 3.406 13.068 5.460 1.00 0.00 N ATOM 1356 CA PRO A 92 2.004 12.743 5.742 1.00 0.00 C ATOM 1357 C PRO A 92 1.415 11.780 4.717 1.00 0.00 C ATOM 1358 O PRO A 92 1.806 11.784 3.550 1.00 0.00 O ATOM 1359 CB PRO A 92 1.303 14.102 5.664 1.00 0.00 C ATOM 1360 CG PRO A 92 2.166 14.923 4.769 1.00 0.00 C ATOM 1361 CD PRO A 92 3.576 14.461 5.015 1.00 0.00 C ATOM 0 HA PRO A 92 1.887 12.242 6.703 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.295 14.005 5.261 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.210 14.557 6.650 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.887 14.786 3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.059 15.985 4.990 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.183 14.523 4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.071 15.068 5.773 1.00 0.00 H new ATOM 1369 N PHE A 93 0.471 10.956 5.161 1.00 0.00 N ATOM 1370 CA PHE A 93 -0.172 9.987 4.282 1.00 0.00 C ATOM 1371 C PHE A 93 -1.114 10.681 3.303 1.00 0.00 C ATOM 1372 O PHE A 93 -1.445 11.855 3.470 1.00 0.00 O ATOM 1373 CB PHE A 93 -0.945 8.954 5.105 1.00 0.00 C ATOM 1374 CG PHE A 93 -0.122 7.760 5.494 1.00 0.00 C ATOM 1375 CD1 PHE A 93 0.296 6.849 4.537 1.00 0.00 C ATOM 1376 CD2 PHE A 93 0.233 7.547 6.816 1.00 0.00 C ATOM 1377 CE1 PHE A 93 1.054 5.748 4.891 1.00 0.00 C ATOM 1378 CE2 PHE A 93 0.992 6.449 7.176 1.00 0.00 C ATOM 1379 CZ PHE A 93 1.401 5.548 6.213 1.00 0.00 C ATOM 0 H PHE A 93 0.135 10.940 6.124 1.00 0.00 H new ATOM 0 HA PHE A 93 0.606 9.479 3.712 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.326 9.432 6.007 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.810 8.618 4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.026 7.001 3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.087 8.247 7.574 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.374 5.046 4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.265 6.296 8.210 1.00 0.00 H new ATOM 0 HZ PHE A 93 1.991 4.688 6.493 1.00 0.00 H new ATOM 1389 N SER A 94 -1.542 9.947 2.281 1.00 0.00 N ATOM 1390 CA SER A 94 -2.442 10.493 1.272 1.00 0.00 C ATOM 1391 C SER A 94 -3.898 10.332 1.699 1.00 0.00 C ATOM 1392 O SER A 94 -4.184 9.892 2.811 1.00 0.00 O ATOM 1393 CB SER A 94 -2.214 9.801 -0.074 1.00 0.00 C ATOM 1394 OG SER A 94 -2.571 8.431 -0.009 1.00 0.00 O ATOM 0 H SER A 94 -1.280 8.973 2.130 1.00 0.00 H new ATOM 0 HA SER A 94 -2.227 11.556 1.167 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.802 10.297 -0.846 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.167 9.894 -0.362 1.00 0.00 H new ATOM 0 HG SER A 94 -3.546 8.344 -0.058 1.00 0.00 H new ATOM 1400 N GLU A 95 -4.814 10.694 0.805 1.00 0.00 N ATOM 1401 CA GLU A 95 -6.240 10.591 1.089 1.00 0.00 C ATOM 1402 C GLU A 95 -6.660 9.132 1.243 1.00 0.00 C ATOM 1403 O GLU A 95 -6.419 8.308 0.361 1.00 0.00 O ATOM 1404 CB GLU A 95 -7.054 11.253 -0.024 1.00 0.00 C ATOM 1405 CG GLU A 95 -6.817 12.749 -0.145 1.00 0.00 C ATOM 1406 CD GLU A 95 -7.937 13.460 -0.880 1.00 0.00 C ATOM 1407 OE1 GLU A 95 -9.004 13.676 -0.269 1.00 0.00 O ATOM 1408 OE2 GLU A 95 -7.745 13.800 -2.066 1.00 0.00 O ATOM 0 H GLU A 95 -4.593 11.061 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.435 11.108 2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.809 10.777 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.114 11.075 0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.712 13.178 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.877 12.923 -0.668 1.00 0.00 H new ATOM 1415 N LYS A 96 -7.290 8.819 2.371 1.00 0.00 N ATOM 1416 CA LYS A 96 -7.745 7.461 2.642 1.00 0.00 C ATOM 1417 C LYS A 96 -8.693 6.977 1.550 1.00 0.00 C ATOM 1418 O LYS A 96 -9.847 7.404 1.482 1.00 0.00 O ATOM 1419 CB LYS A 96 -8.442 7.397 4.003 1.00 0.00 C ATOM 1420 CG LYS A 96 -9.271 8.630 4.320 1.00 0.00 C ATOM 1421 CD LYS A 96 -10.454 8.292 5.212 1.00 0.00 C ATOM 1422 CE LYS A 96 -11.617 9.244 4.979 1.00 0.00 C ATOM 1423 NZ LYS A 96 -11.499 10.476 5.807 1.00 0.00 N ATOM 0 H LYS A 96 -7.497 9.488 3.112 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.872 6.808 2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.087 6.519 4.031 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.690 7.265 4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.644 9.374 4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.629 9.077 3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -10.776 7.269 5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -10.148 8.338 6.257 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -11.657 9.517 3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.553 8.738 5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.310 11.099 5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -11.486 10.217 6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.618 10.973 5.566 1.00 0.00 H new ATOM 1437 N CYS A 97 -8.201 6.083 0.699 1.00 0.00 N ATOM 1438 CA CYS A 97 -9.006 5.540 -0.389 1.00 0.00 C ATOM 1439 C CYS A 97 -9.676 4.234 0.028 1.00 0.00 C ATOM 1440 O CYS A 97 -9.005 3.232 0.274 1.00 0.00 O ATOM 1441 CB CYS A 97 -8.138 5.309 -1.627 1.00 0.00 C ATOM 1442 SG CYS A 97 -9.030 4.608 -3.035 1.00 0.00 S ATOM 0 H CYS A 97 -7.249 5.719 0.742 1.00 0.00 H new ATOM 0 HA CYS A 97 -9.784 6.265 -0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.694 6.258 -1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -7.317 4.642 -1.363 1.00 0.00 H new ATOM 0 HG CYS A 97 -8.212 4.452 -4.033 1.00 0.00 H new ATOM 1448 N ASP A 98 -11.001 4.255 0.107 1.00 0.00 N ATOM 1449 CA ASP A 98 -11.762 3.073 0.496 1.00 0.00 C ATOM 1450 C ASP A 98 -11.941 2.128 -0.688 1.00 0.00 C ATOM 1451 O ASP A 98 -12.430 2.527 -1.745 1.00 0.00 O ATOM 1452 CB ASP A 98 -13.129 3.480 1.050 1.00 0.00 C ATOM 1453 CG ASP A 98 -13.102 3.705 2.549 1.00 0.00 C ATOM 1454 OD1 ASP A 98 -12.632 2.805 3.277 1.00 0.00 O ATOM 1455 OD2 ASP A 98 -13.550 4.782 2.995 1.00 0.00 O ATOM 0 H ASP A 98 -11.571 5.077 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.204 2.551 1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.462 4.392 0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.859 2.705 0.815 1.00 0.00 H new ATOM 1460 N ILE A 99 -11.539 0.875 -0.504 1.00 0.00 N ATOM 1461 CA ILE A 99 -11.655 -0.126 -1.557 1.00 0.00 C ATOM 1462 C ILE A 99 -12.397 -1.363 -1.061 1.00 0.00 C ATOM 1463 O ILE A 99 -12.050 -1.937 -0.028 1.00 0.00 O ATOM 1464 CB ILE A 99 -10.272 -0.549 -2.086 1.00 0.00 C ATOM 1465 CG1 ILE A 99 -9.526 0.662 -2.650 1.00 0.00 C ATOM 1466 CG2 ILE A 99 -10.418 -1.630 -3.147 1.00 0.00 C ATOM 1467 CD1 ILE A 99 -8.090 0.367 -3.023 1.00 0.00 C ATOM 0 H ILE A 99 -11.130 0.529 0.364 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.221 0.333 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.692 -0.957 -1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.054 1.026 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.544 1.465 -1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.432 -1.918 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -10.914 -2.499 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -11.013 -1.248 -3.976 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.623 1.270 -3.415 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.546 0.032 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.065 -0.414 -3.783 1.00 0.00 H new ATOM 1479 N THR A 100 -13.420 -1.771 -1.805 1.00 0.00 N ATOM 1480 CA THR A 100 -14.211 -2.940 -1.442 1.00 0.00 C ATOM 1481 C THR A 100 -13.674 -4.198 -2.115 1.00 0.00 C ATOM 1482 O THR A 100 -13.607 -4.278 -3.342 1.00 0.00 O ATOM 1483 CB THR A 100 -15.692 -2.758 -1.826 1.00 0.00 C ATOM 1484 OG1 THR A 100 -16.120 -1.429 -1.509 1.00 0.00 O ATOM 1485 CG2 THR A 100 -16.567 -3.766 -1.097 1.00 0.00 C ATOM 0 H THR A 100 -13.720 -1.309 -2.663 1.00 0.00 H new ATOM 0 HA THR A 100 -14.135 -3.049 -0.360 1.00 0.00 H new ATOM 0 HB THR A 100 -15.790 -2.924 -2.899 1.00 0.00 H new ATOM 0 HG1 THR A 100 -16.084 -1.297 -0.539 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.608 -3.618 -1.384 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.257 -4.777 -1.363 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.464 -3.626 -0.021 1.00 0.00 H new ATOM 1493 N THR A 101 -13.292 -5.180 -1.305 1.00 0.00 N ATOM 1494 CA THR A 101 -12.761 -6.435 -1.822 1.00 0.00 C ATOM 1495 C THR A 101 -13.828 -7.211 -2.585 1.00 0.00 C ATOM 1496 O THR A 101 -14.976 -6.777 -2.681 1.00 0.00 O ATOM 1497 CB THR A 101 -12.208 -7.321 -0.690 1.00 0.00 C ATOM 1498 OG1 THR A 101 -13.216 -7.526 0.307 1.00 0.00 O ATOM 1499 CG2 THR A 101 -10.981 -6.684 -0.055 1.00 0.00 C ATOM 0 H THR A 101 -13.341 -5.130 -0.287 1.00 0.00 H new ATOM 0 HA THR A 101 -11.948 -6.178 -2.501 1.00 0.00 H new ATOM 0 HB THR A 101 -11.919 -8.281 -1.117 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.790 -7.733 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.608 -7.328 0.742 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.206 -6.555 -0.810 1.00 0.00 H new ATOM 0 HG23 THR A 101 -11.249 -5.712 0.359 1.00 0.00 H new ATOM 1507 N ALA A 102 -13.443 -8.363 -3.125 1.00 0.00 N ATOM 1508 CA ALA A 102 -14.369 -9.202 -3.876 1.00 0.00 C ATOM 1509 C ALA A 102 -15.309 -9.956 -2.942 1.00 0.00 C ATOM 1510 O ALA A 102 -14.968 -10.271 -1.802 1.00 0.00 O ATOM 1511 CB ALA A 102 -13.601 -10.177 -4.756 1.00 0.00 C ATOM 0 H ALA A 102 -12.496 -8.736 -3.056 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.974 -8.555 -4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.304 -10.798 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.976 -9.621 -5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.971 -10.812 -4.132 1.00 0.00 H new ATOM 1517 N PRO A 103 -16.521 -10.252 -3.434 1.00 0.00 N ATOM 1518 CA PRO A 103 -17.535 -10.973 -2.658 1.00 0.00 C ATOM 1519 C PRO A 103 -17.162 -12.434 -2.432 1.00 0.00 C ATOM 1520 O PRO A 103 -17.929 -13.197 -1.848 1.00 0.00 O ATOM 1521 CB PRO A 103 -18.788 -10.870 -3.532 1.00 0.00 C ATOM 1522 CG PRO A 103 -18.271 -10.691 -4.917 1.00 0.00 C ATOM 1523 CD PRO A 103 -16.995 -9.907 -4.785 1.00 0.00 C ATOM 0 HA PRO A 103 -17.659 -10.554 -1.659 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -19.401 -11.767 -3.452 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -19.412 -10.029 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -18.089 -11.655 -5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.993 -10.160 -5.537 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -16.270 -10.188 -5.549 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.169 -8.836 -4.889 1.00 0.00 H new ATOM 1531 N GLY A 104 -15.977 -12.817 -2.899 1.00 0.00 N ATOM 1532 CA GLY A 104 -15.523 -14.185 -2.737 1.00 0.00 C ATOM 1533 C GLY A 104 -15.977 -15.085 -3.870 1.00 0.00 C ATOM 1534 O GLY A 104 -17.094 -15.603 -3.851 1.00 0.00 O ATOM 0 H GLY A 104 -15.324 -12.204 -3.387 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.435 -14.199 -2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.897 -14.579 -1.792 1.00 0.00 H new