USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 414 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 8 SER OG : rot 89:sc= -2.61 USER MOD Single : A 12 TYR OH : rot -84:sc= 0.0739 USER MOD Single : A 13 GLN : amide:sc= -3.71! C(o=-3.7!,f=-10!) USER MOD Single : A 16 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.204 X(o=-0.2,f=-0.51!) USER MOD Single : A 37 HIS : no HD1:sc= -3.88 K(o=-3.9,f=-5.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0464 USER MOD Single : A 53 TYR OH : rot 121:sc= -0.194 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0438 K(o=-0.044,f=-1.5!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -140:sc= -3.07! USER MOD Single : A 65 TYR OH : rot -64:sc= 0.368 USER MOD ----------------------------------------------------------------- ATOM 67 N ASP A 6 -11.256 -4.329 -0.449 1.00 0.00 N ATOM 68 CA ASP A 6 -9.827 -4.103 -0.247 1.00 0.00 C ATOM 69 C ASP A 6 -9.584 -2.784 0.480 1.00 0.00 C ATOM 70 O ASP A 6 -10.346 -1.829 0.325 1.00 0.00 O ATOM 71 CB ASP A 6 -9.097 -4.099 -1.591 1.00 0.00 C ATOM 72 CG ASP A 6 -9.644 -3.054 -2.543 1.00 0.00 C ATOM 73 OD1 ASP A 6 -10.881 -2.984 -2.701 1.00 0.00 O ATOM 74 OD2 ASP A 6 -8.836 -2.305 -3.132 1.00 0.00 O ATOM 0 HA ASP A 6 -9.438 -4.914 0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.036 -3.915 -1.424 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.181 -5.084 -2.050 1.00 0.00 H new ATOM 79 N GLU A 7 -8.519 -2.738 1.275 1.00 0.00 N ATOM 80 CA GLU A 7 -8.181 -1.528 2.027 1.00 0.00 C ATOM 81 C GLU A 7 -6.717 -1.152 1.827 1.00 0.00 C ATOM 82 O GLU A 7 -5.846 -2.021 1.780 1.00 0.00 O ATOM 83 CB GLU A 7 -8.465 -1.733 3.516 1.00 0.00 C ATOM 84 CG GLU A 7 -7.770 -2.949 4.107 1.00 0.00 C ATOM 85 CD GLU A 7 -8.570 -4.223 3.922 1.00 0.00 C ATOM 86 OE1 GLU A 7 -9.521 -4.446 4.702 1.00 0.00 O ATOM 87 OE2 GLU A 7 -8.246 -5.000 2.999 1.00 0.00 O ATOM 0 H GLU A 7 -7.877 -3.518 1.417 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.801 -0.714 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.151 -0.844 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.541 -1.833 3.662 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.792 -3.067 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.598 -2.784 5.170 1.00 0.00 H new ATOM 94 N SER A 8 -6.448 0.146 1.698 1.00 0.00 N ATOM 95 CA SER A 8 -5.080 0.617 1.491 1.00 0.00 C ATOM 96 C SER A 8 -4.650 1.630 2.554 1.00 0.00 C ATOM 97 O SER A 8 -5.476 2.312 3.167 1.00 0.00 O ATOM 98 CB SER A 8 -4.943 1.235 0.099 1.00 0.00 C ATOM 99 OG SER A 8 -5.273 0.294 -0.907 1.00 0.00 O ATOM 0 H SER A 8 -7.151 0.884 1.733 1.00 0.00 H new ATOM 0 HA SER A 8 -4.423 -0.248 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.595 2.105 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.922 1.587 -0.048 1.00 0.00 H new ATOM 0 HG SER A 8 -6.233 0.341 -1.097 1.00 0.00 H new ATOM 105 N PHE A 9 -3.338 1.715 2.754 1.00 0.00 N ATOM 106 CA PHE A 9 -2.744 2.629 3.723 1.00 0.00 C ATOM 107 C PHE A 9 -1.525 3.308 3.114 1.00 0.00 C ATOM 108 O PHE A 9 -0.637 2.645 2.571 1.00 0.00 O ATOM 109 CB PHE A 9 -2.334 1.869 4.989 1.00 0.00 C ATOM 110 CG PHE A 9 -1.890 0.462 4.714 1.00 0.00 C ATOM 111 CD1 PHE A 9 -2.823 -0.538 4.488 1.00 0.00 C ATOM 112 CD2 PHE A 9 -0.544 0.141 4.668 1.00 0.00 C ATOM 113 CE1 PHE A 9 -2.420 -1.832 4.221 1.00 0.00 C ATOM 114 CE2 PHE A 9 -0.135 -1.151 4.404 1.00 0.00 C ATOM 115 CZ PHE A 9 -1.075 -2.139 4.179 1.00 0.00 C ATOM 0 H PHE A 9 -2.656 1.151 2.247 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.483 3.385 3.989 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.526 2.408 5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.175 1.849 5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.877 -0.303 4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.194 0.910 4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.156 -2.602 4.045 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.918 -1.389 4.373 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.757 -3.150 3.971 1.00 0.00 H new ATOM 125 N LEU A 10 -1.484 4.630 3.210 1.00 0.00 N ATOM 126 CA LEU A 10 -0.362 5.394 2.677 1.00 0.00 C ATOM 127 C LEU A 10 0.672 5.614 3.774 1.00 0.00 C ATOM 128 O LEU A 10 0.345 6.106 4.853 1.00 0.00 O ATOM 129 CB LEU A 10 -0.848 6.726 2.108 1.00 0.00 C ATOM 130 CG LEU A 10 -0.337 7.038 0.702 1.00 0.00 C ATOM 131 CD1 LEU A 10 -1.374 7.831 -0.077 1.00 0.00 C ATOM 132 CD2 LEU A 10 0.978 7.799 0.770 1.00 0.00 C ATOM 0 H LEU A 10 -2.211 5.195 3.650 1.00 0.00 H new ATOM 0 HA LEU A 10 0.103 4.834 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.938 6.724 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.540 7.528 2.779 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.162 6.097 0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.994 8.045 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.293 7.250 -0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.580 8.768 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.327 8.013 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.829 8.735 1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.721 7.195 1.291 1.00 0.00 H new ATOM 144 N CYS A 11 1.911 5.211 3.510 1.00 0.00 N ATOM 145 CA CYS A 11 2.976 5.332 4.505 1.00 0.00 C ATOM 146 C CYS A 11 3.950 6.458 4.194 1.00 0.00 C ATOM 147 O CYS A 11 4.141 6.851 3.041 1.00 0.00 O ATOM 148 CB CYS A 11 3.729 4.011 4.648 1.00 0.00 C ATOM 149 SG CYS A 11 2.985 2.861 5.858 1.00 0.00 S ATOM 0 H CYS A 11 2.203 4.801 2.623 1.00 0.00 H new ATOM 0 HA CYS A 11 2.492 5.580 5.450 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.772 3.521 3.675 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.757 4.220 4.945 1.00 0.00 H new ATOM 154 N TYR A 12 4.549 6.968 5.263 1.00 0.00 N ATOM 155 CA TYR A 12 5.505 8.067 5.189 1.00 0.00 C ATOM 156 C TYR A 12 6.878 7.650 5.706 1.00 0.00 C ATOM 157 O TYR A 12 7.040 7.386 6.897 1.00 0.00 O ATOM 158 CB TYR A 12 4.996 9.223 6.046 1.00 0.00 C ATOM 159 CG TYR A 12 5.620 10.557 5.716 1.00 0.00 C ATOM 160 CD1 TYR A 12 5.261 11.257 4.571 1.00 0.00 C ATOM 161 CD2 TYR A 12 6.570 11.117 6.559 1.00 0.00 C ATOM 162 CE1 TYR A 12 5.833 12.479 4.276 1.00 0.00 C ATOM 163 CE2 TYR A 12 7.146 12.339 6.271 1.00 0.00 C ATOM 164 CZ TYR A 12 6.775 13.016 5.128 1.00 0.00 C ATOM 165 OH TYR A 12 7.347 14.233 4.838 1.00 0.00 O ATOM 0 H TYR A 12 4.385 6.629 6.211 1.00 0.00 H new ATOM 0 HA TYR A 12 5.602 8.363 4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.915 9.300 5.927 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.186 8.995 7.095 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.524 10.839 3.902 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.863 10.589 7.454 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.544 13.012 3.382 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.883 12.762 6.937 1.00 0.00 H new ATOM 0 HH TYR A 12 8.095 14.104 4.218 1.00 0.00 H new ATOM 175 N GLN A 13 7.870 7.628 4.822 1.00 0.00 N ATOM 176 CA GLN A 13 9.230 7.278 5.215 1.00 0.00 C ATOM 177 C GLN A 13 10.162 8.446 4.909 1.00 0.00 C ATOM 178 O GLN A 13 9.973 9.151 3.917 1.00 0.00 O ATOM 179 CB GLN A 13 9.715 6.007 4.499 1.00 0.00 C ATOM 180 CG GLN A 13 8.953 5.669 3.226 1.00 0.00 C ATOM 181 CD GLN A 13 7.548 5.169 3.498 1.00 0.00 C ATOM 182 OE1 GLN A 13 6.577 5.916 3.380 1.00 0.00 O ATOM 183 NE2 GLN A 13 7.432 3.897 3.864 1.00 0.00 N ATOM 0 H GLN A 13 7.758 7.848 3.832 1.00 0.00 H new ATOM 0 HA GLN A 13 9.237 7.073 6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.771 6.123 4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.638 5.166 5.188 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.902 6.554 2.592 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.503 4.910 2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.264 3.313 3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.511 3.505 4.059 1.00 0.00 H new ATOM 192 N PRO A 14 11.181 8.673 5.755 1.00 0.00 N ATOM 193 CA PRO A 14 12.137 9.773 5.566 1.00 0.00 C ATOM 194 C PRO A 14 12.874 9.712 4.227 1.00 0.00 C ATOM 195 O PRO A 14 13.793 10.495 3.986 1.00 0.00 O ATOM 196 CB PRO A 14 13.125 9.605 6.728 1.00 0.00 C ATOM 197 CG PRO A 14 12.926 8.210 7.216 1.00 0.00 C ATOM 198 CD PRO A 14 11.484 7.887 6.959 1.00 0.00 C ATOM 0 HA PRO A 14 11.627 10.736 5.555 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.152 9.763 6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.929 10.330 7.518 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.582 7.515 6.691 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.161 8.130 8.277 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.332 6.820 6.794 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.850 8.173 7.798 1.00 0.00 H new ATOM 206 N ASP A 15 12.476 8.785 3.359 1.00 0.00 N ATOM 207 CA ASP A 15 13.117 8.645 2.055 1.00 0.00 C ATOM 208 C ASP A 15 12.127 8.889 0.916 1.00 0.00 C ATOM 209 O ASP A 15 12.504 9.390 -0.143 1.00 0.00 O ATOM 210 CB ASP A 15 13.732 7.251 1.916 1.00 0.00 C ATOM 211 CG ASP A 15 15.154 7.193 2.440 1.00 0.00 C ATOM 212 OD1 ASP A 15 16.082 7.530 1.675 1.00 0.00 O ATOM 213 OD2 ASP A 15 15.338 6.810 3.614 1.00 0.00 O ATOM 0 H ASP A 15 11.719 8.124 3.533 1.00 0.00 H new ATOM 0 HA ASP A 15 13.903 9.397 1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.118 6.530 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.722 6.955 0.867 1.00 0.00 H new ATOM 218 N GLN A 16 10.865 8.519 1.128 1.00 0.00 N ATOM 219 CA GLN A 16 9.841 8.692 0.092 1.00 0.00 C ATOM 220 C GLN A 16 8.443 8.421 0.650 1.00 0.00 C ATOM 221 O GLN A 16 8.248 8.360 1.862 1.00 0.00 O ATOM 222 CB GLN A 16 10.135 7.735 -1.071 1.00 0.00 C ATOM 223 CG GLN A 16 10.671 8.426 -2.314 1.00 0.00 C ATOM 224 CD GLN A 16 12.038 7.912 -2.726 1.00 0.00 C ATOM 225 OE1 GLN A 16 12.910 7.689 -1.886 1.00 0.00 O ATOM 226 NE2 GLN A 16 12.230 7.719 -4.026 1.00 0.00 N ATOM 0 H GLN A 16 10.527 8.102 1.996 1.00 0.00 H new ATOM 0 HA GLN A 16 9.868 9.723 -0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.858 6.989 -0.741 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.221 7.201 -1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.970 8.281 -3.136 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.731 9.499 -2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.479 7.917 -4.687 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.128 7.373 -4.363 1.00 0.00 H new ATOM 235 N VAL A 17 7.478 8.247 -0.249 1.00 0.00 N ATOM 236 CA VAL A 17 6.100 7.960 0.138 1.00 0.00 C ATOM 237 C VAL A 17 5.655 6.653 -0.509 1.00 0.00 C ATOM 238 O VAL A 17 5.716 6.509 -1.730 1.00 0.00 O ATOM 239 CB VAL A 17 5.141 9.093 -0.285 1.00 0.00 C ATOM 240 CG1 VAL A 17 5.031 10.140 0.813 1.00 0.00 C ATOM 241 CG2 VAL A 17 5.595 9.726 -1.596 1.00 0.00 C ATOM 0 H VAL A 17 7.627 8.300 -1.257 1.00 0.00 H new ATOM 0 HA VAL A 17 6.065 7.877 1.224 1.00 0.00 H new ATOM 0 HB VAL A 17 4.153 8.662 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.351 10.930 0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.649 9.675 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.015 10.566 1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.904 10.522 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.595 10.141 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.610 8.968 -2.380 1.00 0.00 H new ATOM 251 N CYS A 18 5.235 5.690 0.305 1.00 0.00 N ATOM 252 CA CYS A 18 4.819 4.389 -0.222 1.00 0.00 C ATOM 253 C CYS A 18 3.356 4.087 0.087 1.00 0.00 C ATOM 254 O CYS A 18 2.827 4.510 1.112 1.00 0.00 O ATOM 255 CB CYS A 18 5.720 3.288 0.341 1.00 0.00 C ATOM 256 SG CYS A 18 7.445 3.377 -0.248 1.00 0.00 S ATOM 0 H CYS A 18 5.173 5.780 1.319 1.00 0.00 H new ATOM 0 HA CYS A 18 4.919 4.423 -1.307 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.714 3.347 1.429 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.303 2.317 0.072 1.00 0.00 H new ATOM 261 N CYS A 19 2.709 3.348 -0.815 1.00 0.00 N ATOM 262 CA CYS A 19 1.303 2.979 -0.648 1.00 0.00 C ATOM 263 C CYS A 19 1.122 1.476 -0.813 1.00 0.00 C ATOM 264 O CYS A 19 1.785 0.850 -1.644 1.00 0.00 O ATOM 265 CB CYS A 19 0.438 3.709 -1.680 1.00 0.00 C ATOM 266 SG CYS A 19 -1.318 3.229 -1.664 1.00 0.00 S ATOM 0 H CYS A 19 3.137 2.993 -1.670 1.00 0.00 H new ATOM 0 HA CYS A 19 0.992 3.268 0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.510 4.782 -1.503 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.844 3.522 -2.674 1.00 0.00 H new ATOM 271 N PHE A 20 0.218 0.898 -0.029 1.00 0.00 N ATOM 272 CA PHE A 20 -0.037 -0.538 -0.121 1.00 0.00 C ATOM 273 C PHE A 20 -1.522 -0.866 -0.026 1.00 0.00 C ATOM 274 O PHE A 20 -2.249 -0.316 0.801 1.00 0.00 O ATOM 275 CB PHE A 20 0.720 -1.320 0.962 1.00 0.00 C ATOM 276 CG PHE A 20 1.936 -0.630 1.514 1.00 0.00 C ATOM 277 CD1 PHE A 20 1.825 0.544 2.241 1.00 0.00 C ATOM 278 CD2 PHE A 20 3.194 -1.180 1.328 1.00 0.00 C ATOM 279 CE1 PHE A 20 2.946 1.153 2.766 1.00 0.00 C ATOM 280 CE2 PHE A 20 4.319 -0.570 1.848 1.00 0.00 C ATOM 281 CZ PHE A 20 4.194 0.598 2.569 1.00 0.00 C ATOM 0 H PHE A 20 -0.343 1.390 0.667 1.00 0.00 H new ATOM 0 HA PHE A 20 0.326 -0.843 -1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.035 -1.528 1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.023 -2.282 0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.852 0.986 2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.296 -2.098 0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.847 2.067 3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.294 -1.007 1.690 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.071 1.078 2.979 1.00 0.00 H new ATOM 291 N ILE A 21 -1.944 -1.802 -0.868 1.00 0.00 N ATOM 292 CA ILE A 21 -3.325 -2.271 -0.893 1.00 0.00 C ATOM 293 C ILE A 21 -3.360 -3.712 -0.416 1.00 0.00 C ATOM 294 O ILE A 21 -2.457 -4.491 -0.739 1.00 0.00 O ATOM 295 CB ILE A 21 -3.930 -2.188 -2.309 1.00 0.00 C ATOM 296 CG1 ILE A 21 -3.748 -0.781 -2.887 1.00 0.00 C ATOM 297 CG2 ILE A 21 -5.403 -2.570 -2.281 1.00 0.00 C ATOM 298 CD1 ILE A 21 -3.121 -0.769 -4.264 1.00 0.00 C ATOM 0 H ILE A 21 -1.340 -2.257 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.917 -1.631 -0.239 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.405 -2.894 -2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.719 -0.288 -2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.127 -0.196 -2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.815 -2.506 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.507 -3.590 -1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.943 -1.888 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.023 0.260 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.135 -1.232 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.752 -1.326 -4.956 1.00 0.00 H new ATOM 310 N CYS A 22 -4.371 -4.078 0.368 1.00 0.00 N ATOM 311 CA CYS A 22 -4.431 -5.449 0.864 1.00 0.00 C ATOM 312 C CYS A 22 -5.863 -6.000 0.946 1.00 0.00 C ATOM 313 O CYS A 22 -6.818 -5.357 0.505 1.00 0.00 O ATOM 314 CB CYS A 22 -3.758 -5.549 2.240 1.00 0.00 C ATOM 315 SG CYS A 22 -2.147 -4.707 2.349 1.00 0.00 S ATOM 0 H CYS A 22 -5.134 -3.470 0.665 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.894 -6.061 0.140 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.427 -5.127 2.990 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.622 -6.601 2.490 1.00 0.00 H new ATOM 320 N ARG A 23 -5.990 -7.211 1.522 1.00 0.00 N ATOM 321 CA ARG A 23 -7.263 -7.885 1.675 1.00 0.00 C ATOM 322 C ARG A 23 -7.204 -8.758 2.940 1.00 0.00 C ATOM 323 O ARG A 23 -7.312 -9.985 2.848 1.00 0.00 O ATOM 324 CB ARG A 23 -7.522 -8.768 0.449 1.00 0.00 C ATOM 325 CG ARG A 23 -8.968 -8.747 -0.025 1.00 0.00 C ATOM 326 CD ARG A 23 -9.921 -9.256 1.046 1.00 0.00 C ATOM 327 NE ARG A 23 -10.518 -10.540 0.682 1.00 0.00 N ATOM 328 CZ ARG A 23 -9.963 -11.721 0.947 1.00 0.00 C ATOM 329 NH1 ARG A 23 -8.797 -11.791 1.579 1.00 0.00 N ATOM 330 NH2 ARG A 23 -10.576 -12.837 0.580 1.00 0.00 N ATOM 0 H ARG A 23 -5.199 -7.739 1.891 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.068 -7.155 1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.877 -8.441 -0.366 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.241 -9.794 0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.244 -7.730 -0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.066 -9.361 -0.920 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.384 -9.360 1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.710 -8.522 1.208 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.414 -10.531 0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.320 -10.936 1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.379 -12.700 1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.472 -12.791 0.095 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.152 -13.742 0.782 1.00 0.00 H new ATOM 344 N GLY A 24 -6.983 -8.147 4.123 1.00 0.00 N ATOM 345 CA GLY A 24 -6.898 -8.931 5.336 1.00 0.00 C ATOM 346 C GLY A 24 -6.029 -8.294 6.408 1.00 0.00 C ATOM 347 O GLY A 24 -6.258 -8.516 7.596 1.00 0.00 O ATOM 0 H GLY A 24 -6.865 -7.141 4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.902 -9.080 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.500 -9.917 5.095 1.00 0.00 H new ATOM 351 N ALA A 25 -5.023 -7.509 6.007 1.00 0.00 N ATOM 352 CA ALA A 25 -4.137 -6.873 6.996 1.00 0.00 C ATOM 353 C ALA A 25 -3.112 -5.942 6.332 1.00 0.00 C ATOM 354 O ALA A 25 -3.343 -5.446 5.229 1.00 0.00 O ATOM 355 CB ALA A 25 -3.436 -7.953 7.810 1.00 0.00 C ATOM 0 H ALA A 25 -4.803 -7.301 5.033 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.746 -6.254 7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.779 -7.486 8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.180 -8.561 8.324 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.847 -8.585 7.145 1.00 0.00 H new ATOM 361 N ALA A 26 -1.979 -5.701 7.010 1.00 0.00 N ATOM 362 CA ALA A 26 -0.934 -4.825 6.476 1.00 0.00 C ATOM 363 C ALA A 26 0.443 -5.258 6.978 1.00 0.00 C ATOM 364 O ALA A 26 0.558 -5.870 8.039 1.00 0.00 O ATOM 365 CB ALA A 26 -1.208 -3.383 6.873 1.00 0.00 C ATOM 0 H ALA A 26 -1.767 -6.100 7.924 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.942 -4.901 5.389 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.425 -2.740 6.471 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.173 -3.073 6.473 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.222 -3.301 7.960 1.00 0.00 H new ATOM 371 N PRO A 27 1.512 -4.941 6.225 1.00 0.00 N ATOM 372 CA PRO A 27 2.880 -5.303 6.610 1.00 0.00 C ATOM 373 C PRO A 27 3.345 -4.566 7.860 1.00 0.00 C ATOM 374 O PRO A 27 2.799 -3.522 8.216 1.00 0.00 O ATOM 375 CB PRO A 27 3.719 -4.887 5.399 1.00 0.00 C ATOM 376 CG PRO A 27 2.914 -3.835 4.721 1.00 0.00 C ATOM 377 CD PRO A 27 1.475 -4.203 4.951 1.00 0.00 C ATOM 0 HA PRO A 27 2.964 -6.361 6.856 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.692 -4.504 5.705 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.903 -5.733 4.736 1.00 0.00 H new ATOM 0 HG2 PRO A 27 3.135 -2.850 5.131 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.141 -3.795 3.656 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.840 -3.320 5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.083 -4.818 4.141 1.00 0.00 H new ATOM 385 N LEU A 28 4.357 -5.116 8.520 1.00 0.00 N ATOM 386 CA LEU A 28 4.899 -4.503 9.738 1.00 0.00 C ATOM 387 C LEU A 28 5.736 -3.266 9.401 1.00 0.00 C ATOM 388 O LEU A 28 6.809 -3.379 8.809 1.00 0.00 O ATOM 389 CB LEU A 28 5.756 -5.515 10.500 1.00 0.00 C ATOM 390 CG LEU A 28 4.994 -6.721 11.056 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.792 -7.999 10.852 1.00 0.00 C ATOM 392 CD2 LEU A 28 4.677 -6.518 12.530 1.00 0.00 C ATOM 0 H LEU A 28 4.820 -5.980 8.239 1.00 0.00 H new ATOM 0 HA LEU A 28 4.062 -4.195 10.364 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.542 -5.876 9.836 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.248 -5.002 11.327 1.00 0.00 H new ATOM 0 HG LEU A 28 4.054 -6.814 10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.234 -8.845 11.254 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.967 -8.153 9.787 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.748 -7.917 11.369 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.135 -7.385 12.908 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.605 -6.398 13.089 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.063 -5.625 12.651 1.00 0.00 H new ATOM 404 N PRO A 29 5.257 -2.062 9.777 1.00 0.00 N ATOM 405 CA PRO A 29 5.972 -0.809 9.510 1.00 0.00 C ATOM 406 C PRO A 29 7.173 -0.622 10.433 1.00 0.00 C ATOM 407 O PRO A 29 7.273 -1.272 11.473 1.00 0.00 O ATOM 408 CB PRO A 29 4.916 0.260 9.784 1.00 0.00 C ATOM 409 CG PRO A 29 4.017 -0.354 10.799 1.00 0.00 C ATOM 410 CD PRO A 29 3.985 -1.827 10.491 1.00 0.00 C ATOM 0 HA PRO A 29 6.381 -0.776 8.500 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.369 1.178 10.159 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.371 0.521 8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.388 -0.175 11.808 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.017 0.077 10.746 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.919 -2.425 11.400 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.125 -2.089 9.874 1.00 0.00 H new ATOM 418 N SER A 30 8.087 0.264 10.044 1.00 0.00 N ATOM 419 CA SER A 30 9.284 0.520 10.846 1.00 0.00 C ATOM 420 C SER A 30 9.988 1.818 10.407 1.00 0.00 C ATOM 421 O SER A 30 10.318 2.651 11.251 1.00 0.00 O ATOM 422 CB SER A 30 10.256 -0.654 10.717 1.00 0.00 C ATOM 423 OG SER A 30 11.530 -0.323 11.242 1.00 0.00 O ATOM 0 H SER A 30 8.024 0.813 9.187 1.00 0.00 H new ATOM 0 HA SER A 30 8.973 0.633 11.885 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.856 -1.520 11.244 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.354 -0.936 9.669 1.00 0.00 H new ATOM 0 HG SER A 30 12.132 -1.091 11.149 1.00 0.00 H new ATOM 429 N GLU A 31 10.237 1.994 9.089 1.00 0.00 N ATOM 430 CA GLU A 31 10.918 3.197 8.608 1.00 0.00 C ATOM 431 C GLU A 31 9.925 4.290 8.208 1.00 0.00 C ATOM 432 O GLU A 31 10.191 5.067 7.293 1.00 0.00 O ATOM 433 CB GLU A 31 11.806 2.850 7.411 1.00 0.00 C ATOM 434 CG GLU A 31 11.028 2.376 6.193 1.00 0.00 C ATOM 435 CD GLU A 31 11.136 0.879 5.978 1.00 0.00 C ATOM 436 OE1 GLU A 31 11.495 0.165 6.938 1.00 0.00 O ATOM 437 OE2 GLU A 31 10.862 0.420 4.849 1.00 0.00 O ATOM 0 H GLU A 31 9.979 1.328 8.360 1.00 0.00 H new ATOM 0 HA GLU A 31 11.529 3.579 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.393 3.727 7.138 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.512 2.073 7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.979 2.648 6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.396 2.894 5.307 1.00 0.00 H new ATOM 444 N GLY A 32 8.785 4.355 8.894 1.00 0.00 N ATOM 445 CA GLY A 32 7.792 5.375 8.572 1.00 0.00 C ATOM 446 C GLY A 32 6.430 5.061 9.155 1.00 0.00 C ATOM 447 O GLY A 32 6.203 3.954 9.643 1.00 0.00 O ATOM 0 H GLY A 32 8.531 3.729 9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.131 6.340 8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.708 5.467 7.489 1.00 0.00 H new ATOM 451 N GLU A 33 5.514 6.028 9.109 1.00 0.00 N ATOM 452 CA GLU A 33 4.172 5.808 9.649 1.00 0.00 C ATOM 453 C GLU A 33 3.173 5.535 8.517 1.00 0.00 C ATOM 454 O GLU A 33 3.579 5.242 7.394 1.00 0.00 O ATOM 455 CB GLU A 33 3.725 7.014 10.483 1.00 0.00 C ATOM 456 CG GLU A 33 3.459 8.267 9.664 1.00 0.00 C ATOM 457 CD GLU A 33 4.519 9.332 9.864 1.00 0.00 C ATOM 458 OE1 GLU A 33 5.616 9.195 9.282 1.00 0.00 O ATOM 459 OE2 GLU A 33 4.254 10.303 10.604 1.00 0.00 O ATOM 0 H GLU A 33 5.671 6.954 8.712 1.00 0.00 H new ATOM 0 HA GLU A 33 4.201 4.933 10.298 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.819 6.750 11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.492 7.234 11.226 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.410 8.002 8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.485 8.674 9.936 1.00 0.00 H new ATOM 466 N CYS A 34 1.869 5.633 8.805 1.00 0.00 N ATOM 467 CA CYS A 34 0.848 5.391 7.782 1.00 0.00 C ATOM 468 C CYS A 34 -0.477 6.029 8.177 1.00 0.00 C ATOM 469 O CYS A 34 -0.708 6.343 9.345 1.00 0.00 O ATOM 470 CB CYS A 34 0.657 3.884 7.553 1.00 0.00 C ATOM 471 SG CYS A 34 1.004 3.329 5.849 1.00 0.00 S ATOM 0 H CYS A 34 1.501 5.875 9.725 1.00 0.00 H new ATOM 0 HA CYS A 34 1.190 5.847 6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.307 3.340 8.239 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.369 3.618 7.807 1.00 0.00 H new ATOM 476 N ASN A 35 -1.343 6.218 7.190 1.00 0.00 N ATOM 477 CA ASN A 35 -2.653 6.822 7.422 1.00 0.00 C ATOM 478 C ASN A 35 -3.726 6.134 6.579 1.00 0.00 C ATOM 479 O ASN A 35 -3.453 5.671 5.471 1.00 0.00 O ATOM 480 CB ASN A 35 -2.612 8.316 7.094 1.00 0.00 C ATOM 481 CG ASN A 35 -2.401 9.173 8.327 1.00 0.00 C ATOM 482 OD1 ASN A 35 -2.067 8.667 9.398 1.00 0.00 O ATOM 483 ND2 ASN A 35 -2.598 10.478 8.181 1.00 0.00 N ATOM 0 H ASN A 35 -1.164 5.962 6.219 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.905 6.694 8.475 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.810 8.507 6.381 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.545 8.605 6.610 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.473 11.105 8.976 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.874 10.854 7.274 1.00 0.00 H new ATOM 490 N PRO A 36 -4.965 6.057 7.096 1.00 0.00 N ATOM 491 CA PRO A 36 -6.080 5.421 6.386 1.00 0.00 C ATOM 492 C PRO A 36 -6.321 6.036 5.011 1.00 0.00 C ATOM 493 O PRO A 36 -6.437 7.253 4.875 1.00 0.00 O ATOM 494 CB PRO A 36 -7.285 5.673 7.298 1.00 0.00 C ATOM 495 CG PRO A 36 -6.702 5.915 8.647 1.00 0.00 C ATOM 496 CD PRO A 36 -5.377 6.582 8.411 1.00 0.00 C ATOM 0 HA PRO A 36 -5.886 4.365 6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.864 6.531 6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.959 4.817 7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.356 6.548 9.247 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -6.576 4.979 9.192 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -5.469 7.668 8.400 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -4.656 6.331 9.189 1.00 0.00 H new ATOM 504 N HIS A 37 -6.400 5.183 3.996 1.00 0.00 N ATOM 505 CA HIS A 37 -6.635 5.638 2.625 1.00 0.00 C ATOM 506 C HIS A 37 -7.174 4.487 1.779 1.00 0.00 C ATOM 507 O HIS A 37 -6.418 3.609 1.369 1.00 0.00 O ATOM 508 CB HIS A 37 -5.339 6.182 2.012 1.00 0.00 C ATOM 509 CG HIS A 37 -5.551 6.883 0.706 1.00 0.00 C ATOM 510 ND1 HIS A 37 -4.629 7.749 0.158 1.00 0.00 N ATOM 511 CD2 HIS A 37 -6.591 6.846 -0.160 1.00 0.00 C ATOM 512 CE1 HIS A 37 -5.092 8.214 -0.989 1.00 0.00 C ATOM 513 NE2 HIS A 37 -6.280 7.681 -1.205 1.00 0.00 N ATOM 0 H HIS A 37 -6.305 4.172 4.094 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.373 6.440 2.644 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -4.874 6.872 2.716 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.641 5.358 1.865 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.496 6.268 -0.050 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.585 8.911 -1.639 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -6.871 7.860 -2.017 1.00 0.00 H new ATOM 522 N PRO A 38 -8.497 4.469 1.516 1.00 0.00 N ATOM 523 CA PRO A 38 -9.143 3.417 0.731 1.00 0.00 C ATOM 524 C PRO A 38 -8.252 2.852 -0.374 1.00 0.00 C ATOM 525 O PRO A 38 -7.792 1.712 -0.282 1.00 0.00 O ATOM 526 CB PRO A 38 -10.355 4.141 0.154 1.00 0.00 C ATOM 527 CG PRO A 38 -10.741 5.124 1.211 1.00 0.00 C ATOM 528 CD PRO A 38 -9.479 5.473 1.971 1.00 0.00 C ATOM 0 HA PRO A 38 -9.388 2.541 1.332 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.110 4.641 -0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.168 3.447 -0.059 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.183 6.016 0.766 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.489 4.698 1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.146 6.487 1.747 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.634 5.419 3.049 1.00 0.00 H new ATOM 536 N THR A 39 -8.005 3.649 -1.411 1.00 0.00 N ATOM 537 CA THR A 39 -7.160 3.211 -2.523 1.00 0.00 C ATOM 538 C THR A 39 -6.391 4.395 -3.116 1.00 0.00 C ATOM 539 O THR A 39 -6.194 5.408 -2.445 1.00 0.00 O ATOM 540 CB THR A 39 -8.015 2.537 -3.601 1.00 0.00 C ATOM 541 OG1 THR A 39 -9.295 2.203 -3.094 1.00 0.00 O ATOM 542 CG2 THR A 39 -7.396 1.271 -4.151 1.00 0.00 C ATOM 0 H THR A 39 -8.374 4.595 -1.506 1.00 0.00 H new ATOM 0 HA THR A 39 -6.437 2.489 -2.145 1.00 0.00 H new ATOM 0 HB THR A 39 -8.089 3.267 -4.407 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.825 1.775 -3.799 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.053 0.845 -4.910 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.429 1.503 -4.597 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.260 0.552 -3.343 1.00 0.00 H new ATOM 550 N ALA A 40 -5.952 4.270 -4.372 1.00 0.00 N ATOM 551 CA ALA A 40 -5.202 5.349 -5.024 1.00 0.00 C ATOM 552 C ALA A 40 -4.909 5.011 -6.484 1.00 0.00 C ATOM 553 O ALA A 40 -4.799 3.840 -6.848 1.00 0.00 O ATOM 554 CB ALA A 40 -3.903 5.606 -4.272 1.00 0.00 C ATOM 0 H ALA A 40 -6.100 3.444 -4.952 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.813 6.251 -5.004 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.352 6.408 -4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.128 5.895 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.298 4.699 -4.270 1.00 0.00 H new ATOM 560 N PRO A 41 -4.776 6.037 -7.342 1.00 0.00 N ATOM 561 CA PRO A 41 -4.492 5.843 -8.766 1.00 0.00 C ATOM 562 C PRO A 41 -3.036 5.465 -9.022 1.00 0.00 C ATOM 563 O PRO A 41 -2.724 4.802 -10.008 1.00 0.00 O ATOM 564 CB PRO A 41 -4.803 7.211 -9.370 1.00 0.00 C ATOM 565 CG PRO A 41 -4.532 8.177 -8.269 1.00 0.00 C ATOM 566 CD PRO A 41 -4.890 7.466 -6.990 1.00 0.00 C ATOM 0 HA PRO A 41 -5.074 5.027 -9.194 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -4.176 7.413 -10.238 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.839 7.271 -9.704 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.485 8.480 -8.266 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.126 9.083 -8.391 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.213 7.734 -6.179 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.898 7.718 -6.660 1.00 0.00 H new ATOM 574 N TRP A 42 -2.156 5.882 -8.115 1.00 0.00 N ATOM 575 CA TRP A 42 -0.730 5.588 -8.219 1.00 0.00 C ATOM 576 C TRP A 42 -0.415 4.274 -7.491 1.00 0.00 C ATOM 577 O TRP A 42 0.349 3.457 -8.009 1.00 0.00 O ATOM 578 CB TRP A 42 0.104 6.736 -7.645 1.00 0.00 C ATOM 579 CG TRP A 42 -0.110 6.989 -6.186 1.00 0.00 C ATOM 580 CD1 TRP A 42 -1.152 7.656 -5.611 1.00 0.00 C ATOM 581 CD2 TRP A 42 0.756 6.596 -5.119 1.00 0.00 C ATOM 582 NE1 TRP A 42 -0.985 7.702 -4.248 1.00 0.00 N ATOM 583 CE2 TRP A 42 0.179 7.057 -3.922 1.00 0.00 C ATOM 584 CE3 TRP A 42 1.965 5.897 -5.060 1.00 0.00 C ATOM 585 CZ2 TRP A 42 0.772 6.843 -2.682 1.00 0.00 C ATOM 586 CZ3 TRP A 42 2.551 5.683 -3.827 1.00 0.00 C ATOM 587 CH2 TRP A 42 1.954 6.156 -2.653 1.00 0.00 C ATOM 0 H TRP A 42 -2.409 6.430 -7.293 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.471 5.479 -9.272 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.159 6.521 -7.813 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.127 7.647 -8.197 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.985 8.085 -6.148 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.623 8.144 -3.587 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.433 5.531 -5.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.315 7.207 -1.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.484 5.142 -3.768 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.437 5.975 -1.704 1.00 0.00 H new ATOM 598 N CYS A 43 -1.038 4.035 -6.302 1.00 0.00 N ATOM 599 CA CYS A 43 -0.818 2.769 -5.580 1.00 0.00 C ATOM 600 C CYS A 43 -0.877 1.617 -6.586 1.00 0.00 C ATOM 601 O CYS A 43 0.090 0.877 -6.763 1.00 0.00 O ATOM 602 CB CYS A 43 -1.933 2.556 -4.559 1.00 0.00 C ATOM 603 SG CYS A 43 -1.404 1.729 -3.024 1.00 0.00 S ATOM 0 H CYS A 43 -1.675 4.686 -5.843 1.00 0.00 H new ATOM 0 HA CYS A 43 0.148 2.804 -5.077 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.365 3.524 -4.305 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.724 1.965 -5.021 1.00 0.00 H new ATOM 608 N ARG A 44 -2.038 1.489 -7.260 1.00 0.00 N ATOM 609 CA ARG A 44 -2.228 0.440 -8.260 1.00 0.00 C ATOM 610 C ARG A 44 -1.484 0.775 -9.569 1.00 0.00 C ATOM 611 O ARG A 44 -0.999 -0.137 -10.239 1.00 0.00 O ATOM 612 CB ARG A 44 -3.721 0.258 -8.549 1.00 0.00 C ATOM 613 CG ARG A 44 -4.398 1.506 -9.096 1.00 0.00 C ATOM 614 CD ARG A 44 -5.345 1.175 -10.240 1.00 0.00 C ATOM 615 NE ARG A 44 -6.735 1.480 -9.907 1.00 0.00 N ATOM 616 CZ ARG A 44 -7.276 2.692 -10.013 1.00 0.00 C ATOM 617 NH1 ARG A 44 -6.550 3.717 -10.440 1.00 0.00 N ATOM 618 NH2 ARG A 44 -8.548 2.879 -9.690 1.00 0.00 N ATOM 0 H ARG A 44 -2.846 2.097 -7.126 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.817 -0.486 -7.859 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.846 -0.555 -9.264 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.225 -0.044 -7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.951 2.000 -8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.641 2.209 -9.442 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.053 1.738 -11.127 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.256 0.118 -10.490 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.326 0.719 -9.573 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.571 3.579 -10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.971 4.643 -10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.111 2.095 -9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.964 3.807 -9.771 1.00 0.00 H new ATOM 632 N GLU A 45 -1.383 2.075 -9.956 1.00 0.00 N ATOM 633 CA GLU A 45 -0.678 2.424 -11.206 1.00 0.00 C ATOM 634 C GLU A 45 0.690 1.717 -11.305 1.00 0.00 C ATOM 635 O GLU A 45 1.141 1.431 -12.414 1.00 0.00 O ATOM 636 CB GLU A 45 -0.464 3.935 -11.289 1.00 0.00 C ATOM 637 CG GLU A 45 -1.185 4.588 -12.458 1.00 0.00 C ATOM 638 CD GLU A 45 -0.312 5.583 -13.198 1.00 0.00 C ATOM 639 OE1 GLU A 45 0.504 6.262 -12.540 1.00 0.00 O ATOM 640 OE2 GLU A 45 -0.444 5.683 -14.436 1.00 0.00 O ATOM 0 H GLU A 45 -1.766 2.867 -9.439 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.303 2.089 -12.034 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.805 4.393 -10.361 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.604 4.138 -11.372 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.518 3.816 -13.152 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.078 5.095 -12.092 1.00 0.00 H new ATOM 647 N GLY A 46 1.366 1.426 -10.165 1.00 0.00 N ATOM 648 CA GLY A 46 2.675 0.749 -10.274 1.00 0.00 C ATOM 649 C GLY A 46 2.814 -0.463 -9.370 1.00 0.00 C ATOM 650 O GLY A 46 3.837 -1.148 -9.411 1.00 0.00 O ATOM 0 H GLY A 46 1.050 1.635 -9.218 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.829 0.439 -11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.464 1.462 -10.034 1.00 0.00 H new ATOM 654 N ALA A 47 1.797 -0.749 -8.561 1.00 0.00 N ATOM 655 CA ALA A 47 1.851 -1.908 -7.675 1.00 0.00 C ATOM 656 C ALA A 47 1.426 -3.170 -8.415 1.00 0.00 C ATOM 657 O ALA A 47 0.435 -3.808 -8.060 1.00 0.00 O ATOM 658 CB ALA A 47 0.972 -1.697 -6.455 1.00 0.00 C ATOM 0 H ALA A 47 0.938 -0.203 -8.500 1.00 0.00 H new ATOM 0 HA ALA A 47 2.882 -2.028 -7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.029 -2.574 -5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.315 -0.820 -5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.060 -1.546 -6.772 1.00 0.00 H new ATOM 664 N VAL A 48 2.182 -3.524 -9.447 1.00 0.00 N ATOM 665 CA VAL A 48 1.880 -4.716 -10.244 1.00 0.00 C ATOM 666 C VAL A 48 2.477 -5.982 -9.621 1.00 0.00 C ATOM 667 O VAL A 48 2.777 -6.946 -10.325 1.00 0.00 O ATOM 668 CB VAL A 48 2.401 -4.567 -11.688 1.00 0.00 C ATOM 669 CG1 VAL A 48 3.921 -4.513 -11.713 1.00 0.00 C ATOM 670 CG2 VAL A 48 1.885 -5.702 -12.562 1.00 0.00 C ATOM 0 H VAL A 48 3.006 -3.008 -9.754 1.00 0.00 H new ATOM 0 HA VAL A 48 0.794 -4.813 -10.261 1.00 0.00 H new ATOM 0 HB VAL A 48 2.025 -3.627 -12.091 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.264 -4.408 -12.742 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.264 -3.661 -11.127 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.325 -5.432 -11.288 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.263 -5.580 -13.577 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.227 -6.655 -12.160 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.795 -5.684 -12.576 1.00 0.00 H new ATOM 680 N GLU A 49 2.640 -5.981 -8.298 1.00 0.00 N ATOM 681 CA GLU A 49 3.191 -7.137 -7.593 1.00 0.00 C ATOM 682 C GLU A 49 2.428 -7.376 -6.292 1.00 0.00 C ATOM 683 O GLU A 49 2.017 -6.429 -5.621 1.00 0.00 O ATOM 684 CB GLU A 49 4.684 -6.925 -7.308 1.00 0.00 C ATOM 685 CG GLU A 49 4.969 -5.841 -6.281 1.00 0.00 C ATOM 686 CD GLU A 49 5.229 -4.490 -6.918 1.00 0.00 C ATOM 687 OE1 GLU A 49 6.311 -4.315 -7.517 1.00 0.00 O ATOM 688 OE2 GLU A 49 4.352 -3.608 -6.817 1.00 0.00 O ATOM 0 H GLU A 49 2.399 -5.195 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 49 3.081 -8.017 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.114 -7.864 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.189 -6.670 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.123 -5.760 -5.599 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.834 -6.130 -5.684 1.00 0.00 H new ATOM 695 N TRP A 50 2.231 -8.643 -5.945 1.00 0.00 N ATOM 696 CA TRP A 50 1.505 -8.994 -4.726 1.00 0.00 C ATOM 697 C TRP A 50 2.455 -9.479 -3.634 1.00 0.00 C ATOM 698 O TRP A 50 3.569 -9.921 -3.914 1.00 0.00 O ATOM 699 CB TRP A 50 0.466 -10.076 -5.024 1.00 0.00 C ATOM 700 CG TRP A 50 -0.618 -9.620 -5.952 1.00 0.00 C ATOM 701 CD1 TRP A 50 -0.619 -9.704 -7.314 1.00 0.00 C ATOM 702 CD2 TRP A 50 -1.861 -9.010 -5.585 1.00 0.00 C ATOM 703 NE1 TRP A 50 -1.787 -9.183 -7.818 1.00 0.00 N ATOM 704 CE2 TRP A 50 -2.565 -8.750 -6.776 1.00 0.00 C ATOM 705 CE3 TRP A 50 -2.446 -8.658 -4.365 1.00 0.00 C ATOM 706 CZ2 TRP A 50 -3.824 -8.155 -6.781 1.00 0.00 C ATOM 707 CZ3 TRP A 50 -3.696 -8.067 -4.373 1.00 0.00 C ATOM 708 CH2 TRP A 50 -4.373 -7.822 -5.574 1.00 0.00 C ATOM 0 H TRP A 50 2.561 -9.442 -6.486 1.00 0.00 H new ATOM 0 HA TRP A 50 1.002 -8.096 -4.367 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.967 -10.940 -5.459 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.017 -10.406 -4.087 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.181 -10.119 -7.909 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -2.034 -9.128 -8.806 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -1.931 -8.844 -3.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -4.348 -7.963 -7.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.158 -7.790 -3.437 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -5.349 -7.360 -5.546 1.00 0.00 H new ATOM 719 N VAL A 51 1.997 -9.398 -2.389 1.00 0.00 N ATOM 720 CA VAL A 51 2.794 -9.834 -1.244 1.00 0.00 C ATOM 721 C VAL A 51 1.915 -10.585 -0.244 1.00 0.00 C ATOM 722 O VAL A 51 1.131 -9.975 0.483 1.00 0.00 O ATOM 723 CB VAL A 51 3.470 -8.640 -0.539 1.00 0.00 C ATOM 724 CG1 VAL A 51 2.431 -7.643 -0.050 1.00 0.00 C ATOM 725 CG2 VAL A 51 4.348 -9.118 0.609 1.00 0.00 C ATOM 0 H VAL A 51 1.076 -9.034 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 51 3.573 -10.498 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 51 4.108 -8.134 -1.263 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.931 -6.810 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.857 -7.271 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.760 -8.133 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.815 -8.260 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.737 -9.655 1.335 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.121 -9.782 0.223 1.00 0.00 H new ATOM 735 N PRO A 52 2.018 -11.925 -0.204 1.00 0.00 N ATOM 736 CA PRO A 52 1.211 -12.752 0.700 1.00 0.00 C ATOM 737 C PRO A 52 1.510 -12.501 2.175 1.00 0.00 C ATOM 738 O PRO A 52 2.578 -12.855 2.674 1.00 0.00 O ATOM 739 CB PRO A 52 1.589 -14.187 0.317 1.00 0.00 C ATOM 740 CG PRO A 52 2.916 -14.072 -0.349 1.00 0.00 C ATOM 741 CD PRO A 52 2.912 -12.742 -1.045 1.00 0.00 C ATOM 0 HA PRO A 52 0.149 -12.529 0.592 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.643 -14.829 1.196 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.848 -14.625 -0.352 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.725 -14.130 0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.068 -14.884 -1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.913 -12.314 -1.102 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.541 -12.823 -2.067 1.00 0.00 H new ATOM 749 N TYR A 53 0.542 -11.911 2.871 1.00 0.00 N ATOM 750 CA TYR A 53 0.675 -11.635 4.298 1.00 0.00 C ATOM 751 C TYR A 53 -0.103 -12.690 5.081 1.00 0.00 C ATOM 752 O TYR A 53 -1.271 -12.949 4.788 1.00 0.00 O ATOM 753 CB TYR A 53 0.146 -10.231 4.613 1.00 0.00 C ATOM 754 CG TYR A 53 0.746 -9.583 5.842 1.00 0.00 C ATOM 755 CD1 TYR A 53 2.118 -9.392 5.970 1.00 0.00 C ATOM 756 CD2 TYR A 53 -0.075 -9.148 6.872 1.00 0.00 C ATOM 757 CE1 TYR A 53 2.650 -8.785 7.096 1.00 0.00 C ATOM 758 CE2 TYR A 53 0.447 -8.543 7.995 1.00 0.00 C ATOM 759 CZ TYR A 53 1.808 -8.363 8.104 1.00 0.00 C ATOM 760 OH TYR A 53 2.326 -7.754 9.223 1.00 0.00 O ATOM 0 H TYR A 53 -0.346 -11.614 2.468 1.00 0.00 H new ATOM 0 HA TYR A 53 1.725 -11.675 4.586 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.333 -9.587 3.753 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.935 -10.286 4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.777 -9.721 5.181 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.143 -9.286 6.792 1.00 0.00 H new ATOM 0 HE1 TYR A 53 3.717 -8.643 7.184 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.209 -8.211 8.786 1.00 0.00 H new ATOM 0 HH TYR A 53 1.941 -6.858 9.316 1.00 0.00 H new ATOM 770 N SER A 54 0.547 -13.304 6.065 1.00 0.00 N ATOM 771 CA SER A 54 -0.101 -14.351 6.882 1.00 0.00 C ATOM 772 C SER A 54 -1.536 -13.948 7.270 1.00 0.00 C ATOM 773 O SER A 54 -2.453 -14.764 7.167 1.00 0.00 O ATOM 774 CB SER A 54 0.722 -14.606 8.148 1.00 0.00 C ATOM 775 OG SER A 54 1.025 -15.983 8.291 1.00 0.00 O ATOM 0 H SER A 54 1.514 -13.104 6.323 1.00 0.00 H new ATOM 0 HA SER A 54 -0.151 -15.262 6.286 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.646 -14.030 8.107 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.169 -14.260 9.021 1.00 0.00 H new ATOM 0 HG SER A 54 1.552 -16.119 9.106 1.00 0.00 H new ATOM 781 N THR A 55 -1.740 -12.695 7.724 1.00 0.00 N ATOM 782 CA THR A 55 -3.076 -12.244 8.119 1.00 0.00 C ATOM 783 C THR A 55 -3.956 -11.894 6.897 1.00 0.00 C ATOM 784 O THR A 55 -5.173 -12.075 6.960 1.00 0.00 O ATOM 785 CB THR A 55 -2.956 -11.020 9.027 1.00 0.00 C ATOM 786 OG1 THR A 55 -2.017 -11.254 10.062 1.00 0.00 O ATOM 787 CG2 THR A 55 -4.265 -10.626 9.675 1.00 0.00 C ATOM 0 H THR A 55 -1.006 -11.993 7.823 1.00 0.00 H new ATOM 0 HA THR A 55 -3.557 -13.065 8.651 1.00 0.00 H new ATOM 0 HB THR A 55 -2.632 -10.208 8.376 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.953 -10.459 10.631 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.110 -9.751 10.306 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.997 -10.391 8.902 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.633 -11.452 10.284 1.00 0.00 H new ATOM 795 N GLY A 56 -3.371 -11.379 5.785 1.00 0.00 N ATOM 796 CA GLY A 56 -4.214 -11.030 4.629 1.00 0.00 C ATOM 797 C GLY A 56 -3.411 -10.824 3.343 1.00 0.00 C ATOM 798 O GLY A 56 -2.183 -10.802 3.384 1.00 0.00 O ATOM 0 H GLY A 56 -2.372 -11.206 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.948 -11.820 4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.770 -10.120 4.853 1.00 0.00 H new ATOM 802 N GLN A 57 -4.081 -10.668 2.185 1.00 0.00 N ATOM 803 CA GLN A 57 -3.345 -10.457 0.930 1.00 0.00 C ATOM 804 C GLN A 57 -2.989 -8.981 0.785 1.00 0.00 C ATOM 805 O GLN A 57 -3.867 -8.128 0.832 1.00 0.00 O ATOM 806 CB GLN A 57 -4.175 -10.917 -0.270 1.00 0.00 C ATOM 807 CG GLN A 57 -3.332 -11.335 -1.465 1.00 0.00 C ATOM 808 CD GLN A 57 -4.152 -11.486 -2.731 1.00 0.00 C ATOM 809 OE1 GLN A 57 -5.257 -10.955 -2.836 1.00 0.00 O ATOM 810 NE2 GLN A 57 -3.612 -12.214 -3.702 1.00 0.00 N ATOM 0 H GLN A 57 -5.097 -10.683 2.094 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.430 -11.049 0.959 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.803 -11.755 0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.843 -10.110 -0.571 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.549 -10.595 -1.630 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.836 -12.280 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.693 -12.636 -3.572 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.117 -12.351 -4.578 1.00 0.00 H new ATOM 819 N CYS A 58 -1.700 -8.668 0.640 1.00 0.00 N ATOM 820 CA CYS A 58 -1.288 -7.266 0.532 1.00 0.00 C ATOM 821 C CYS A 58 -0.733 -6.908 -0.861 1.00 0.00 C ATOM 822 O CYS A 58 -0.750 -7.735 -1.772 1.00 0.00 O ATOM 823 CB CYS A 58 -0.240 -6.946 1.599 1.00 0.00 C ATOM 824 SG CYS A 58 -0.915 -6.142 3.086 1.00 0.00 S ATOM 0 H CYS A 58 -0.940 -9.347 0.595 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.182 -6.663 0.687 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.258 -7.870 1.893 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.521 -6.299 1.163 1.00 0.00 H new ATOM 829 N ARG A 59 -0.230 -5.662 -1.013 1.00 0.00 N ATOM 830 CA ARG A 59 0.340 -5.194 -2.281 1.00 0.00 C ATOM 831 C ARG A 59 1.205 -3.970 -2.001 1.00 0.00 C ATOM 832 O ARG A 59 0.800 -3.084 -1.253 1.00 0.00 O ATOM 833 CB ARG A 59 -0.774 -4.866 -3.274 1.00 0.00 C ATOM 834 CG ARG A 59 -0.306 -4.141 -4.523 1.00 0.00 C ATOM 835 CD ARG A 59 -1.329 -3.119 -4.992 1.00 0.00 C ATOM 836 NE ARG A 59 -1.705 -3.320 -6.390 1.00 0.00 N ATOM 837 CZ ARG A 59 -2.684 -4.129 -6.789 1.00 0.00 C ATOM 838 NH1 ARG A 59 -3.384 -4.826 -5.903 1.00 0.00 N ATOM 839 NH2 ARG A 59 -2.961 -4.243 -8.081 1.00 0.00 N ATOM 0 H ARG A 59 -0.211 -4.967 -0.267 1.00 0.00 H new ATOM 0 HA ARG A 59 0.956 -5.975 -2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.266 -5.793 -3.569 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.523 -4.254 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.642 -3.642 -4.321 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -0.123 -4.864 -5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.218 -3.183 -4.365 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.922 -2.116 -4.867 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.185 -2.809 -7.104 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.173 -4.744 -4.908 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.133 -5.444 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.424 -3.711 -8.766 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.711 -4.862 -8.389 1.00 0.00 H new ATOM 853 N THR A 60 2.411 -3.947 -2.557 1.00 0.00 N ATOM 854 CA THR A 60 3.341 -2.842 -2.291 1.00 0.00 C ATOM 855 C THR A 60 3.713 -2.011 -3.517 1.00 0.00 C ATOM 856 O THR A 60 3.982 -2.539 -4.596 1.00 0.00 O ATOM 857 CB THR A 60 4.618 -3.397 -1.657 1.00 0.00 C ATOM 858 OG1 THR A 60 4.317 -4.088 -0.460 1.00 0.00 O ATOM 859 CG2 THR A 60 5.640 -2.329 -1.323 1.00 0.00 C ATOM 0 H THR A 60 2.769 -4.666 -3.186 1.00 0.00 H new ATOM 0 HA THR A 60 2.814 -2.166 -1.617 1.00 0.00 H new ATOM 0 HB THR A 60 5.047 -4.062 -2.406 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.144 -4.438 -0.068 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.519 -2.794 -0.877 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.929 -1.805 -2.234 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.207 -1.619 -0.618 1.00 0.00 H new ATOM 867 N THR A 61 3.775 -0.694 -3.300 1.00 0.00 N ATOM 868 CA THR A 61 4.176 0.261 -4.340 1.00 0.00 C ATOM 869 C THR A 61 4.900 1.462 -3.674 1.00 0.00 C ATOM 870 O THR A 61 4.818 1.608 -2.452 1.00 0.00 O ATOM 871 CB THR A 61 2.956 0.743 -5.144 1.00 0.00 C ATOM 872 OG1 THR A 61 3.050 0.312 -6.491 1.00 0.00 O ATOM 873 CG2 THR A 61 2.777 2.251 -5.162 1.00 0.00 C ATOM 0 H THR A 61 3.550 -0.261 -2.404 1.00 0.00 H new ATOM 0 HA THR A 61 4.855 -0.233 -5.036 1.00 0.00 H new ATOM 0 HB THR A 61 2.096 0.308 -4.634 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.743 1.028 -7.086 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.895 2.506 -5.750 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.651 2.615 -4.142 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.656 2.716 -5.607 1.00 0.00 H new ATOM 881 N CYS A 62 5.586 2.339 -4.446 1.00 0.00 N ATOM 882 CA CYS A 62 6.273 3.490 -3.848 1.00 0.00 C ATOM 883 C CYS A 62 6.467 4.601 -4.876 1.00 0.00 C ATOM 884 O CYS A 62 6.442 4.355 -6.082 1.00 0.00 O ATOM 885 CB CYS A 62 7.630 3.068 -3.275 1.00 0.00 C ATOM 886 SG CYS A 62 7.523 2.036 -1.773 1.00 0.00 S ATOM 0 H CYS A 62 5.673 2.268 -5.460 1.00 0.00 H new ATOM 0 HA CYS A 62 5.649 3.870 -3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 62 8.180 2.520 -4.040 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.209 3.963 -3.046 1.00 0.00 H new ATOM 891 N ILE A 63 6.655 5.826 -4.391 1.00 0.00 N ATOM 892 CA ILE A 63 6.847 6.977 -5.269 1.00 0.00 C ATOM 893 C ILE A 63 7.614 8.093 -4.560 1.00 0.00 C ATOM 894 O ILE A 63 7.620 8.166 -3.332 1.00 0.00 O ATOM 895 CB ILE A 63 5.493 7.534 -5.759 1.00 0.00 C ATOM 896 CG1 ILE A 63 4.731 8.185 -4.596 1.00 0.00 C ATOM 897 CG2 ILE A 63 4.669 6.425 -6.397 1.00 0.00 C ATOM 898 CD1 ILE A 63 3.308 8.578 -4.935 1.00 0.00 C ATOM 0 H ILE A 63 6.678 6.047 -3.395 1.00 0.00 H new ATOM 0 HA ILE A 63 7.427 6.631 -6.125 1.00 0.00 H new ATOM 0 HB ILE A 63 5.678 8.299 -6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.715 7.494 -3.753 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.274 9.072 -4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.716 6.830 -6.739 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.212 6.010 -7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.487 5.639 -5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.838 9.031 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.314 9.295 -5.756 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.747 7.692 -5.231 1.00 0.00 H new ATOM 910 N PRO A 64 8.265 8.986 -5.327 1.00 0.00 N ATOM 911 CA PRO A 64 9.025 10.105 -4.763 1.00 0.00 C ATOM 912 C PRO A 64 8.199 10.917 -3.770 1.00 0.00 C ATOM 913 O PRO A 64 6.980 10.765 -3.689 1.00 0.00 O ATOM 914 CB PRO A 64 9.388 10.963 -5.987 1.00 0.00 C ATOM 915 CG PRO A 64 8.557 10.434 -7.110 1.00 0.00 C ATOM 916 CD PRO A 64 8.309 8.989 -6.795 1.00 0.00 C ATOM 0 HA PRO A 64 9.895 9.760 -4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.175 12.016 -5.804 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.451 10.888 -6.217 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.618 10.982 -7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.075 10.542 -8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.375 8.634 -7.230 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.103 8.348 -7.178 1.00 0.00 H new ATOM 924 N TYR A 65 8.870 11.785 -3.021 1.00 0.00 N ATOM 925 CA TYR A 65 8.207 12.630 -2.036 1.00 0.00 C ATOM 926 C TYR A 65 7.505 13.794 -2.735 1.00 0.00 C ATOM 927 O TYR A 65 6.944 13.633 -3.818 1.00 0.00 O ATOM 928 CB TYR A 65 9.249 13.139 -1.020 1.00 0.00 C ATOM 929 CG TYR A 65 9.083 12.620 0.398 1.00 0.00 C ATOM 930 CD1 TYR A 65 8.182 11.607 0.709 1.00 0.00 C ATOM 931 CD2 TYR A 65 9.844 13.154 1.432 1.00 0.00 C ATOM 932 CE1 TYR A 65 8.045 11.144 2.004 1.00 0.00 C ATOM 933 CE2 TYR A 65 9.712 12.697 2.729 1.00 0.00 C ATOM 934 CZ TYR A 65 8.812 11.693 3.009 1.00 0.00 C ATOM 935 OH TYR A 65 8.679 11.234 4.299 1.00 0.00 O ATOM 0 H TYR A 65 9.879 11.922 -3.079 1.00 0.00 H new ATOM 0 HA TYR A 65 7.451 12.054 -1.502 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.242 12.865 -1.375 1.00 0.00 H new ATOM 0 HB3 TYR A 65 9.208 14.228 -0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.579 11.175 -0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 65 10.552 13.941 1.217 1.00 0.00 H new ATOM 0 HE1 TYR A 65 7.341 10.356 2.227 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.311 13.125 3.519 1.00 0.00 H new ATOM 0 HH TYR A 65 7.773 11.423 4.622 1.00 0.00 H new