USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 338 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 47 CYS SG : rot -63:sc= 0.00938 USER MOD Set 1.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.542) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 66:sc= 1.12 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot -170:sc= -2.79 USER MOD Single : A 44 HIS : no HD1:sc= -2.19! C(o=-2.2!,f=-2.4!) USER MOD Single : A 46 ASN : amide:sc= -7! C(o=-7!,f=-12!) USER MOD Single : A 50 LYS NZ :NH3+ -148:sc= -4.33! (180deg=-6.76!) USER MOD ----------------------------------------------------------------- ATOM 85 N VAL A 6 4.176 -4.661 9.798 1.00 0.00 N ATOM 86 CA VAL A 6 4.331 -6.010 10.317 1.00 0.00 C ATOM 87 C VAL A 6 5.806 -6.412 10.244 1.00 0.00 C ATOM 88 O VAL A 6 6.510 -6.387 11.252 1.00 0.00 O ATOM 89 CB VAL A 6 3.412 -6.971 9.561 1.00 0.00 C ATOM 90 CG1 VAL A 6 3.663 -8.419 9.986 1.00 0.00 C ATOM 91 CG2 VAL A 6 1.943 -6.590 9.755 1.00 0.00 C ATOM 0 HA VAL A 6 4.032 -6.053 11.364 1.00 0.00 H new ATOM 0 HB VAL A 6 3.643 -6.889 8.499 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.997 -9.081 9.433 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.698 -8.686 9.774 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.473 -8.523 11.054 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.311 -7.289 9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.694 -6.629 10.815 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.777 -5.580 9.381 1.00 0.00 H new ATOM 101 N ILE A 7 6.229 -6.774 9.042 1.00 0.00 N ATOM 102 CA ILE A 7 7.607 -7.181 8.824 1.00 0.00 C ATOM 103 C ILE A 7 8.544 -6.156 9.466 1.00 0.00 C ATOM 104 O ILE A 7 9.676 -6.482 9.820 1.00 0.00 O ATOM 105 CB ILE A 7 7.870 -7.407 7.334 1.00 0.00 C ATOM 106 CG1 ILE A 7 7.033 -8.570 6.799 1.00 0.00 C ATOM 107 CG2 ILE A 7 9.363 -7.603 7.064 1.00 0.00 C ATOM 108 CD1 ILE A 7 5.729 -8.067 6.175 1.00 0.00 C ATOM 0 H ILE A 7 5.642 -6.794 8.208 1.00 0.00 H new ATOM 0 HA ILE A 7 7.803 -8.139 9.307 1.00 0.00 H new ATOM 0 HB ILE A 7 7.560 -6.513 6.793 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.606 -9.123 6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.809 -9.264 7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.522 -7.762 5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.910 -6.716 7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.722 -8.471 7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.153 -8.914 5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.147 -7.535 6.928 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.957 -7.393 5.350 1.00 0.00 H new ATOM 119 N GLN A 8 8.038 -4.939 9.596 1.00 0.00 N ATOM 120 CA GLN A 8 8.816 -3.863 10.189 1.00 0.00 C ATOM 121 C GLN A 8 8.514 -3.753 11.684 1.00 0.00 C ATOM 122 O GLN A 8 9.429 -3.669 12.502 1.00 0.00 O ATOM 123 CB GLN A 8 8.550 -2.537 9.476 1.00 0.00 C ATOM 124 CG GLN A 8 9.862 -1.845 9.099 1.00 0.00 C ATOM 125 CD GLN A 8 9.688 -0.986 7.845 1.00 0.00 C ATOM 126 OE1 GLN A 8 8.964 -0.003 7.830 1.00 0.00 O ATOM 127 NE2 GLN A 8 10.389 -1.409 6.797 1.00 0.00 N ATOM 0 H GLN A 8 7.098 -4.673 9.301 1.00 0.00 H new ATOM 0 HA GLN A 8 9.874 -4.096 10.068 1.00 0.00 H new ATOM 0 HB2 GLN A 8 7.957 -2.715 8.579 1.00 0.00 H new ATOM 0 HB3 GLN A 8 7.963 -1.884 10.122 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.200 -1.222 9.927 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.636 -2.593 8.927 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.976 -2.240 6.877 1.00 0.00 H new ATOM 0 HE22 GLN A 8 10.340 -0.903 5.913 1.00 0.00 H new ATOM 134 N ALA A 9 7.226 -3.755 11.997 1.00 0.00 N ATOM 135 CA ALA A 9 6.792 -3.655 13.381 1.00 0.00 C ATOM 136 C ALA A 9 7.379 -4.820 14.180 1.00 0.00 C ATOM 137 O ALA A 9 7.904 -4.624 15.275 1.00 0.00 O ATOM 138 CB ALA A 9 5.263 -3.623 13.435 1.00 0.00 C ATOM 0 H ALA A 9 6.469 -3.824 11.317 1.00 0.00 H new ATOM 0 HA ALA A 9 7.154 -2.731 13.831 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.937 -3.548 14.472 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.897 -2.761 12.877 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.864 -4.537 12.995 1.00 0.00 H new ATOM 144 N ILE A 10 7.270 -6.007 13.602 1.00 0.00 N ATOM 145 CA ILE A 10 7.783 -7.204 14.247 1.00 0.00 C ATOM 146 C ILE A 10 9.310 -7.128 14.312 1.00 0.00 C ATOM 147 O ILE A 10 9.932 -7.764 15.160 1.00 0.00 O ATOM 148 CB ILE A 10 7.259 -8.458 13.545 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.101 -8.788 12.311 1.00 0.00 C ATOM 150 CG2 ILE A 10 5.775 -8.315 13.204 1.00 0.00 C ATOM 151 CD1 ILE A 10 7.732 -10.162 11.747 1.00 0.00 C ATOM 0 H ILE A 10 6.834 -6.166 12.694 1.00 0.00 H new ATOM 0 HA ILE A 10 7.422 -7.268 15.274 1.00 0.00 H new ATOM 0 HB ILE A 10 7.352 -9.299 14.233 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.949 -8.025 11.548 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.159 -8.771 12.573 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.427 -9.220 12.706 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.204 -8.163 14.120 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.634 -7.460 12.543 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.345 -10.372 10.871 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.908 -10.926 12.505 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.680 -10.168 11.464 1.00 0.00 H new ATOM 162 N GLN A 11 9.871 -6.343 13.402 1.00 0.00 N ATOM 163 CA GLN A 11 11.314 -6.176 13.344 1.00 0.00 C ATOM 164 C GLN A 11 11.811 -5.438 14.589 1.00 0.00 C ATOM 165 O GLN A 11 12.792 -5.849 15.208 1.00 0.00 O ATOM 166 CB GLN A 11 11.729 -5.443 12.068 1.00 0.00 C ATOM 167 CG GLN A 11 12.503 -6.372 11.130 1.00 0.00 C ATOM 168 CD GLN A 11 13.402 -5.572 10.184 1.00 0.00 C ATOM 169 OE1 GLN A 11 12.968 -4.668 9.490 1.00 0.00 O ATOM 170 NE2 GLN A 11 14.677 -5.954 10.198 1.00 0.00 N ATOM 0 H GLN A 11 9.352 -5.816 12.699 1.00 0.00 H new ATOM 0 HA GLN A 11 11.776 -7.163 13.322 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.844 -5.061 11.559 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.346 -4.582 12.323 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.109 -7.063 11.716 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.804 -6.974 10.550 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.973 -6.719 10.804 1.00 0.00 H new ATOM 0 HE22 GLN A 11 15.358 -5.481 9.603 1.00 0.00 H new ATOM 177 N LYS A 12 11.115 -4.360 14.917 1.00 0.00 N ATOM 178 CA LYS A 12 11.474 -3.561 16.076 1.00 0.00 C ATOM 179 C LYS A 12 11.252 -4.383 17.346 1.00 0.00 C ATOM 180 O LYS A 12 12.039 -4.302 18.288 1.00 0.00 O ATOM 181 CB LYS A 12 10.718 -2.231 16.064 1.00 0.00 C ATOM 182 CG LYS A 12 11.301 -1.278 15.017 1.00 0.00 C ATOM 183 CD LYS A 12 10.299 -1.024 13.890 1.00 0.00 C ATOM 184 CE LYS A 12 10.523 0.350 13.256 1.00 0.00 C ATOM 185 NZ LYS A 12 11.464 0.248 12.117 1.00 0.00 N ATOM 0 H LYS A 12 10.304 -4.021 14.400 1.00 0.00 H new ATOM 0 HA LYS A 12 12.532 -3.301 16.046 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.664 -2.410 15.851 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.771 -1.770 17.050 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.570 -0.333 15.489 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.218 -1.701 14.605 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.397 -1.799 13.130 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.283 -1.087 14.281 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.572 0.759 12.914 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.918 1.041 14.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.171 1.008 12.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.944 -0.674 12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.939 0.339 11.224 1.00 0.00 H new ATOM 195 N SER A 13 10.176 -5.156 17.332 1.00 0.00 N ATOM 196 CA SER A 13 9.841 -5.994 18.471 1.00 0.00 C ATOM 197 C SER A 13 10.866 -7.120 18.613 1.00 0.00 C ATOM 198 O SER A 13 11.073 -7.641 19.708 1.00 0.00 O ATOM 199 CB SER A 13 8.431 -6.572 18.333 1.00 0.00 C ATOM 200 OG SER A 13 8.064 -7.359 19.463 1.00 0.00 O ATOM 0 H SER A 13 9.525 -5.220 16.550 1.00 0.00 H new ATOM 0 HA SER A 13 9.865 -5.376 19.369 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.716 -5.758 18.210 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.376 -7.183 17.432 1.00 0.00 H new ATOM 0 HG SER A 13 7.157 -7.709 19.337 1.00 0.00 H new ATOM 205 N ASP A 14 11.480 -7.463 17.491 1.00 0.00 N ATOM 206 CA ASP A 14 12.479 -8.519 17.476 1.00 0.00 C ATOM 207 C ASP A 14 13.842 -7.930 17.842 1.00 0.00 C ATOM 208 O ASP A 14 14.702 -8.631 18.374 1.00 0.00 O ATOM 209 CB ASP A 14 12.593 -9.149 16.086 1.00 0.00 C ATOM 210 CG ASP A 14 13.081 -10.598 16.072 1.00 0.00 C ATOM 211 OD1 ASP A 14 14.316 -10.784 16.123 1.00 0.00 O ATOM 212 OD2 ASP A 14 12.206 -11.491 16.010 1.00 0.00 O ATOM 0 H ASP A 14 11.305 -7.028 16.585 1.00 0.00 H new ATOM 0 HA ASP A 14 12.176 -9.281 18.193 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.617 -9.105 15.603 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.274 -8.546 15.485 1.00 0.00 H new ATOM 216 N GLU A 15 13.997 -6.648 17.545 1.00 0.00 N ATOM 217 CA GLU A 15 15.242 -5.958 17.836 1.00 0.00 C ATOM 218 C GLU A 15 15.221 -5.407 19.264 1.00 0.00 C ATOM 219 O GLU A 15 16.181 -5.578 20.013 1.00 0.00 O ATOM 220 CB GLU A 15 15.500 -4.843 16.822 1.00 0.00 C ATOM 221 CG GLU A 15 15.870 -5.420 15.454 1.00 0.00 C ATOM 222 CD GLU A 15 17.216 -6.145 15.510 1.00 0.00 C ATOM 223 OE1 GLU A 15 18.102 -5.642 16.235 1.00 0.00 O ATOM 224 OE2 GLU A 15 17.328 -7.186 14.828 1.00 0.00 O ATOM 0 H GLU A 15 13.281 -6.069 17.106 1.00 0.00 H new ATOM 0 HA GLU A 15 16.060 -6.674 17.755 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.611 -4.219 16.729 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.305 -4.201 17.179 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.094 -6.111 15.125 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.915 -4.618 14.717 1.00 0.00 H new ATOM 304 N ALA A 21 9.998 1.353 20.755 1.00 0.00 N ATOM 305 CA ALA A 21 9.236 0.222 21.259 1.00 0.00 C ATOM 306 C ALA A 21 7.865 0.706 21.733 1.00 0.00 C ATOM 307 O ALA A 21 6.849 0.413 21.107 1.00 0.00 O ATOM 308 CB ALA A 21 10.027 -0.470 22.371 1.00 0.00 C ATOM 0 HA ALA A 21 9.071 -0.512 20.470 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.457 -1.318 22.750 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.980 -0.821 21.975 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.209 0.236 23.182 1.00 0.00 H new ATOM 314 N TYR A 22 7.881 1.441 22.836 1.00 0.00 N ATOM 315 CA TYR A 22 6.651 1.967 23.402 1.00 0.00 C ATOM 316 C TYR A 22 5.745 2.536 22.308 1.00 0.00 C ATOM 317 O TYR A 22 4.526 2.584 22.469 1.00 0.00 O ATOM 318 CB TYR A 22 7.070 3.101 24.340 1.00 0.00 C ATOM 319 CG TYR A 22 6.874 2.785 25.824 1.00 0.00 C ATOM 320 CD1 TYR A 22 7.794 2.000 26.490 1.00 0.00 C ATOM 321 CD2 TYR A 22 5.777 3.284 26.497 1.00 0.00 C ATOM 322 CE1 TYR A 22 7.610 1.702 27.887 1.00 0.00 C ATOM 323 CE2 TYR A 22 5.593 2.985 27.893 1.00 0.00 C ATOM 324 CZ TYR A 22 6.518 2.210 28.519 1.00 0.00 C ATOM 325 OH TYR A 22 6.343 1.928 29.839 1.00 0.00 O ATOM 0 H TYR A 22 8.726 1.684 23.352 1.00 0.00 H new ATOM 0 HA TYR A 22 6.098 1.181 23.916 1.00 0.00 H new ATOM 0 HB2 TYR A 22 8.120 3.335 24.164 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.498 3.995 24.091 1.00 0.00 H new ATOM 0 HD1 TYR A 22 8.652 1.609 25.963 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.057 3.898 25.977 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.322 1.090 28.420 1.00 0.00 H new ATOM 0 HE2 TYR A 22 4.739 3.368 28.431 1.00 0.00 H new ATOM 0 HH TYR A 22 5.522 2.357 30.159 1.00 0.00 H new ATOM 334 N LEU A 23 6.375 2.954 21.220 1.00 0.00 N ATOM 335 CA LEU A 23 5.639 3.518 20.101 1.00 0.00 C ATOM 336 C LEU A 23 5.060 2.383 19.253 1.00 0.00 C ATOM 337 O LEU A 23 3.851 2.322 19.036 1.00 0.00 O ATOM 338 CB LEU A 23 6.525 4.484 19.310 1.00 0.00 C ATOM 339 CG LEU A 23 6.039 5.934 19.238 1.00 0.00 C ATOM 340 CD1 LEU A 23 7.156 6.863 18.759 1.00 0.00 C ATOM 341 CD2 LEU A 23 4.785 6.048 18.370 1.00 0.00 C ATOM 0 H LEU A 23 7.386 2.914 21.089 1.00 0.00 H new ATOM 0 HA LEU A 23 4.798 4.112 20.459 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.521 4.477 19.752 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.625 4.104 18.293 1.00 0.00 H new ATOM 0 HG LEU A 23 5.764 6.254 20.243 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.785 7.887 18.717 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.996 6.810 19.452 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.485 6.555 17.766 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.460 7.088 18.335 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.009 5.704 17.360 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.991 5.434 18.795 1.00 0.00 H new ATOM 352 N GLU A 24 5.950 1.513 18.799 1.00 0.00 N ATOM 353 CA GLU A 24 5.541 0.383 17.981 1.00 0.00 C ATOM 354 C GLU A 24 4.549 -0.494 18.745 1.00 0.00 C ATOM 355 O GLU A 24 3.714 -1.166 18.141 1.00 0.00 O ATOM 356 CB GLU A 24 6.754 -0.429 17.524 1.00 0.00 C ATOM 357 CG GLU A 24 6.546 -0.976 16.110 1.00 0.00 C ATOM 358 CD GLU A 24 5.171 -1.632 15.972 1.00 0.00 C ATOM 359 OE1 GLU A 24 4.960 -2.658 16.654 1.00 0.00 O ATOM 360 OE2 GLU A 24 4.361 -1.093 15.186 1.00 0.00 O ATOM 0 H GLU A 24 6.952 1.567 18.982 1.00 0.00 H new ATOM 0 HA GLU A 24 5.044 0.765 17.089 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.646 0.198 17.548 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.925 -1.254 18.215 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.641 -0.167 15.386 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.325 -1.703 15.880 1.00 0.00 H new ATOM 365 N SER A 25 4.671 -0.460 20.064 1.00 0.00 N ATOM 366 CA SER A 25 3.795 -1.244 20.918 1.00 0.00 C ATOM 367 C SER A 25 2.347 -0.778 20.753 1.00 0.00 C ATOM 368 O SER A 25 1.467 -1.575 20.434 1.00 0.00 O ATOM 369 CB SER A 25 4.220 -1.145 22.383 1.00 0.00 C ATOM 370 OG SER A 25 3.132 -1.382 23.273 1.00 0.00 O ATOM 0 H SER A 25 5.364 0.099 20.562 1.00 0.00 H new ATOM 0 HA SER A 25 3.870 -2.289 20.616 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.013 -1.867 22.580 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.635 -0.155 22.574 1.00 0.00 H new ATOM 0 HG SER A 25 3.445 -1.311 24.199 1.00 0.00 H new ATOM 375 N GLU A 26 2.147 0.513 20.976 1.00 0.00 N ATOM 376 CA GLU A 26 0.821 1.095 20.856 1.00 0.00 C ATOM 377 C GLU A 26 0.239 0.809 19.469 1.00 0.00 C ATOM 378 O GLU A 26 -0.977 0.845 19.283 1.00 0.00 O ATOM 379 CB GLU A 26 0.855 2.599 21.136 1.00 0.00 C ATOM 380 CG GLU A 26 -0.389 3.041 21.908 1.00 0.00 C ATOM 381 CD GLU A 26 -0.153 4.384 22.605 1.00 0.00 C ATOM 382 OE1 GLU A 26 0.574 5.210 22.014 1.00 0.00 O ATOM 383 OE2 GLU A 26 -0.705 4.552 23.715 1.00 0.00 O ATOM 0 H GLU A 26 2.880 1.172 21.239 1.00 0.00 H new ATOM 0 HA GLU A 26 0.174 0.634 21.603 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.749 2.846 21.708 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.917 3.146 20.195 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.234 3.125 21.225 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.651 2.284 22.648 1.00 0.00 H new ATOM 388 N VAL A 27 1.134 0.530 18.534 1.00 0.00 N ATOM 389 CA VAL A 27 0.725 0.238 17.170 1.00 0.00 C ATOM 390 C VAL A 27 0.271 -1.221 17.080 1.00 0.00 C ATOM 391 O VAL A 27 -0.763 -1.517 16.485 1.00 0.00 O ATOM 392 CB VAL A 27 1.859 0.573 16.200 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.548 0.056 14.794 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.139 2.076 16.182 1.00 0.00 C ATOM 0 H VAL A 27 2.141 0.500 18.693 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.123 0.860 16.884 1.00 0.00 H new ATOM 0 HB VAL A 27 2.760 0.069 16.551 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.370 0.307 14.124 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.422 -1.026 14.824 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.630 0.518 14.431 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.949 2.287 15.484 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.242 2.609 15.868 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.426 2.405 17.181 1.00 0.00 H new ATOM 404 N ALA A 28 1.068 -2.092 17.681 1.00 0.00 N ATOM 405 CA ALA A 28 0.762 -3.513 17.676 1.00 0.00 C ATOM 406 C ALA A 28 -0.387 -3.786 18.648 1.00 0.00 C ATOM 407 O ALA A 28 -1.099 -4.779 18.510 1.00 0.00 O ATOM 408 CB ALA A 28 2.022 -4.308 18.024 1.00 0.00 C ATOM 0 H ALA A 28 1.925 -1.842 18.175 1.00 0.00 H new ATOM 0 HA ALA A 28 0.439 -3.833 16.685 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.793 -5.374 18.020 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.798 -4.101 17.287 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.375 -4.016 19.013 1.00 0.00 H new ATOM 414 N ILE A 29 -0.533 -2.886 19.609 1.00 0.00 N ATOM 415 CA ILE A 29 -1.584 -3.018 20.604 1.00 0.00 C ATOM 416 C ILE A 29 -2.937 -2.731 19.951 1.00 0.00 C ATOM 417 O ILE A 29 -3.957 -3.281 20.362 1.00 0.00 O ATOM 418 CB ILE A 29 -1.287 -2.134 21.818 1.00 0.00 C ATOM 419 CG1 ILE A 29 -1.563 -2.883 23.123 1.00 0.00 C ATOM 420 CG2 ILE A 29 -2.059 -0.816 21.739 1.00 0.00 C ATOM 421 CD1 ILE A 29 -3.064 -2.938 23.416 1.00 0.00 C ATOM 0 H ILE A 29 0.059 -2.063 19.720 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.623 -4.039 20.984 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.226 -1.886 21.808 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.164 -3.895 23.057 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.046 -2.390 23.946 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.830 -0.207 22.614 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.769 -0.278 20.836 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.129 -1.022 21.711 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.233 -3.476 24.349 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.455 -1.924 23.505 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.575 -3.453 22.603 1.00 0.00 H new ATOM 432 N SER A 30 -2.902 -1.869 18.946 1.00 0.00 N ATOM 433 CA SER A 30 -4.113 -1.502 18.232 1.00 0.00 C ATOM 434 C SER A 30 -4.691 -2.726 17.518 1.00 0.00 C ATOM 435 O SER A 30 -5.906 -2.851 17.378 1.00 0.00 O ATOM 436 CB SER A 30 -3.842 -0.380 17.228 1.00 0.00 C ATOM 437 OG SER A 30 -3.145 0.711 17.821 1.00 0.00 O ATOM 0 H SER A 30 -2.054 -1.414 18.609 1.00 0.00 H new ATOM 0 HA SER A 30 -4.840 -1.136 18.957 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.259 -0.772 16.395 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.787 -0.026 16.817 1.00 0.00 H new ATOM 0 HG SER A 30 -2.246 0.422 18.081 1.00 0.00 H new ATOM 442 N GLU A 31 -3.792 -3.597 17.084 1.00 0.00 N ATOM 443 CA GLU A 31 -4.197 -4.806 16.389 1.00 0.00 C ATOM 444 C GLU A 31 -5.173 -5.612 17.249 1.00 0.00 C ATOM 445 O GLU A 31 -5.979 -6.379 16.725 1.00 0.00 O ATOM 446 CB GLU A 31 -2.981 -5.651 16.003 1.00 0.00 C ATOM 447 CG GLU A 31 -3.410 -7.020 15.471 1.00 0.00 C ATOM 448 CD GLU A 31 -2.197 -7.922 15.237 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.398 -7.579 14.340 1.00 0.00 O ATOM 450 OE2 GLU A 31 -2.096 -8.935 15.963 1.00 0.00 O ATOM 0 H GLU A 31 -2.784 -3.489 17.200 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.706 -4.518 15.469 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.397 -5.129 15.245 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.334 -5.781 16.870 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.088 -7.494 16.181 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.960 -6.896 14.538 1.00 0.00 H new ATOM 455 N GLU A 32 -5.069 -5.409 18.554 1.00 0.00 N ATOM 456 CA GLU A 32 -5.933 -6.107 19.491 1.00 0.00 C ATOM 457 C GLU A 32 -7.280 -5.392 19.604 1.00 0.00 C ATOM 458 O GLU A 32 -8.280 -6.000 19.983 1.00 0.00 O ATOM 459 CB GLU A 32 -5.263 -6.237 20.861 1.00 0.00 C ATOM 460 CG GLU A 32 -5.514 -4.992 21.714 1.00 0.00 C ATOM 461 CD GLU A 32 -6.576 -5.263 22.782 1.00 0.00 C ATOM 462 OE1 GLU A 32 -7.771 -5.127 22.441 1.00 0.00 O ATOM 463 OE2 GLU A 32 -6.169 -5.602 23.913 1.00 0.00 O ATOM 0 H GLU A 32 -4.400 -4.771 18.985 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.110 -7.114 19.113 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.647 -7.118 21.375 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.191 -6.384 20.733 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.585 -4.680 22.191 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.836 -4.169 21.076 1.00 0.00 H new ATOM 468 N LEU A 33 -7.264 -4.110 19.269 1.00 0.00 N ATOM 469 CA LEU A 33 -8.473 -3.306 19.328 1.00 0.00 C ATOM 470 C LEU A 33 -9.459 -3.795 18.266 1.00 0.00 C ATOM 471 O LEU A 33 -10.660 -3.874 18.518 1.00 0.00 O ATOM 472 CB LEU A 33 -8.133 -1.819 19.213 1.00 0.00 C ATOM 473 CG LEU A 33 -8.248 -1.001 20.501 1.00 0.00 C ATOM 474 CD1 LEU A 33 -9.714 -0.781 20.879 1.00 0.00 C ATOM 475 CD2 LEU A 33 -7.455 -1.652 21.636 1.00 0.00 C ATOM 0 H LEU A 33 -6.433 -3.608 18.956 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.962 -3.424 20.295 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.113 -1.728 18.839 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.788 -1.374 18.464 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.809 -0.019 20.324 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.769 -0.197 21.798 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.220 -0.244 20.077 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.199 -1.745 21.032 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.553 -1.051 22.540 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.842 -2.654 21.822 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.404 -1.716 21.355 1.00 0.00 H new ATOM 486 N VAL A 34 -8.915 -4.112 17.100 1.00 0.00 N ATOM 487 CA VAL A 34 -9.732 -4.591 15.999 1.00 0.00 C ATOM 488 C VAL A 34 -10.434 -5.886 16.416 1.00 0.00 C ATOM 489 O VAL A 34 -11.480 -6.233 15.871 1.00 0.00 O ATOM 490 CB VAL A 34 -8.874 -4.754 14.743 1.00 0.00 C ATOM 491 CG1 VAL A 34 -8.088 -6.065 14.782 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.730 -4.666 13.478 1.00 0.00 C ATOM 0 H VAL A 34 -7.918 -4.046 16.894 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.507 -3.865 15.755 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.157 -3.934 14.720 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.487 -6.156 13.877 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.435 -6.072 15.654 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.782 -6.904 14.842 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.095 -4.785 12.600 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.482 -5.455 13.492 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.224 -3.695 13.440 1.00 0.00 H new ATOM 502 N GLN A 35 -9.828 -6.566 17.378 1.00 0.00 N ATOM 503 CA GLN A 35 -10.381 -7.814 17.875 1.00 0.00 C ATOM 504 C GLN A 35 -11.401 -7.540 18.981 1.00 0.00 C ATOM 505 O GLN A 35 -12.380 -8.270 19.123 1.00 0.00 O ATOM 506 CB GLN A 35 -9.273 -8.747 18.368 1.00 0.00 C ATOM 507 CG GLN A 35 -9.539 -10.190 17.937 1.00 0.00 C ATOM 508 CD GLN A 35 -8.282 -10.826 17.341 1.00 0.00 C ATOM 509 OE1 GLN A 35 -8.206 -11.127 16.161 1.00 0.00 O ATOM 510 NE2 GLN A 35 -7.301 -11.012 18.220 1.00 0.00 N ATOM 0 H GLN A 35 -8.959 -6.276 17.827 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.893 -8.315 17.053 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.312 -8.417 17.973 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.206 -8.695 19.455 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.874 -10.773 18.795 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.344 -10.211 17.203 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.430 -10.737 19.194 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.420 -11.429 17.920 1.00 0.00 H new ATOM 517 N LYS A 36 -11.136 -6.485 19.739 1.00 0.00 N ATOM 518 CA LYS A 36 -12.017 -6.106 20.829 1.00 0.00 C ATOM 519 C LYS A 36 -13.404 -5.782 20.268 1.00 0.00 C ATOM 520 O LYS A 36 -14.404 -5.887 20.977 1.00 0.00 O ATOM 521 CB LYS A 36 -11.403 -4.967 21.644 1.00 0.00 C ATOM 522 CG LYS A 36 -11.768 -5.093 23.125 1.00 0.00 C ATOM 523 CD LYS A 36 -10.529 -5.391 23.971 1.00 0.00 C ATOM 524 CE LYS A 36 -10.922 -5.864 25.372 1.00 0.00 C ATOM 525 NZ LYS A 36 -9.748 -5.853 26.272 1.00 0.00 N ATOM 0 H LYS A 36 -10.323 -5.881 19.619 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.139 -6.935 21.526 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.319 -4.978 21.531 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.754 -4.010 21.259 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.234 -4.169 23.468 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.502 -5.888 23.256 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.925 -6.155 23.481 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.911 -4.496 24.045 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.702 -5.218 25.775 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.337 -6.870 25.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.033 -6.177 27.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.016 -6.488 25.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.369 -4.887 26.336 1.00 0.00 H new ATOM 535 N TYR A 37 -13.420 -5.396 19.001 1.00 0.00 N ATOM 536 CA TYR A 37 -14.667 -5.057 18.337 1.00 0.00 C ATOM 537 C TYR A 37 -15.566 -6.287 18.199 1.00 0.00 C ATOM 538 O TYR A 37 -16.788 -6.161 18.123 1.00 0.00 O ATOM 539 CB TYR A 37 -14.281 -4.563 16.941 1.00 0.00 C ATOM 540 CG TYR A 37 -14.709 -5.499 15.809 1.00 0.00 C ATOM 541 CD1 TYR A 37 -14.152 -6.757 15.706 1.00 0.00 C ATOM 542 CD2 TYR A 37 -15.653 -5.085 14.892 1.00 0.00 C ATOM 543 CE1 TYR A 37 -14.555 -7.639 14.641 1.00 0.00 C ATOM 544 CE2 TYR A 37 -16.056 -5.967 13.827 1.00 0.00 C ATOM 545 CZ TYR A 37 -15.487 -7.200 13.754 1.00 0.00 C ATOM 546 OH TYR A 37 -15.867 -8.032 12.748 1.00 0.00 O ATOM 0 H TYR A 37 -12.589 -5.310 18.416 1.00 0.00 H new ATOM 0 HA TYR A 37 -15.215 -4.308 18.909 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.729 -3.583 16.777 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -13.200 -4.430 16.900 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.413 -7.081 16.424 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.089 -4.100 14.973 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.127 -8.626 14.549 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.794 -5.656 13.102 1.00 0.00 H new ATOM 0 HH TYR A 37 -16.540 -7.587 12.192 1.00 0.00 H new ATOM 555 N SER A 38 -14.928 -7.448 18.171 1.00 0.00 N ATOM 556 CA SER A 38 -15.656 -8.699 18.043 1.00 0.00 C ATOM 557 C SER A 38 -16.395 -9.009 19.347 1.00 0.00 C ATOM 558 O SER A 38 -17.530 -9.482 19.324 1.00 0.00 O ATOM 559 CB SER A 38 -14.714 -9.849 17.680 1.00 0.00 C ATOM 560 OG SER A 38 -15.390 -11.103 17.651 1.00 0.00 O ATOM 0 H SER A 38 -13.915 -7.549 18.235 1.00 0.00 H new ATOM 0 HA SER A 38 -16.382 -8.592 17.237 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.265 -9.656 16.706 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.900 -9.893 18.403 1.00 0.00 H new ATOM 0 HG SER A 38 -14.755 -11.811 17.414 1.00 0.00 H new ATOM 565 N ASN A 39 -15.720 -8.732 20.453 1.00 0.00 N ATOM 566 CA ASN A 39 -16.299 -8.976 21.764 1.00 0.00 C ATOM 567 C ASN A 39 -17.178 -7.787 22.157 1.00 0.00 C ATOM 568 O ASN A 39 -18.224 -7.964 22.780 1.00 0.00 O ATOM 569 CB ASN A 39 -15.209 -9.129 22.827 1.00 0.00 C ATOM 570 CG ASN A 39 -15.474 -10.350 23.710 1.00 0.00 C ATOM 571 OD1 ASN A 39 -15.123 -11.473 23.385 1.00 0.00 O ATOM 572 ND2 ASN A 39 -16.112 -10.070 24.842 1.00 0.00 N ATOM 0 H ASN A 39 -14.778 -8.341 20.469 1.00 0.00 H new ATOM 0 HA ASN A 39 -16.882 -9.895 21.710 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.237 -9.228 22.345 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.169 -8.231 23.444 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -16.336 -10.817 25.499 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -16.377 -9.108 25.053 1.00 0.00 H new ATOM 578 N SER A 40 -16.723 -6.603 21.776 1.00 0.00 N ATOM 579 CA SER A 40 -17.455 -5.385 22.082 1.00 0.00 C ATOM 580 C SER A 40 -18.669 -5.259 21.159 1.00 0.00 C ATOM 581 O SER A 40 -19.660 -4.625 21.515 1.00 0.00 O ATOM 582 CB SER A 40 -16.557 -4.154 21.950 1.00 0.00 C ATOM 583 OG SER A 40 -16.481 -3.691 20.604 1.00 0.00 O ATOM 0 H SER A 40 -15.856 -6.461 21.258 1.00 0.00 H new ATOM 0 HA SER A 40 -17.797 -5.442 23.116 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.939 -3.356 22.587 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.556 -4.395 22.308 1.00 0.00 H new ATOM 0 HG SER A 40 -15.782 -3.008 20.532 1.00 0.00 H new ATOM 588 N ALA A 41 -18.550 -5.874 19.991 1.00 0.00 N ATOM 589 CA ALA A 41 -19.625 -5.837 19.014 1.00 0.00 C ATOM 590 C ALA A 41 -20.938 -6.232 19.693 1.00 0.00 C ATOM 591 O ALA A 41 -22.017 -5.892 19.210 1.00 0.00 O ATOM 592 CB ALA A 41 -19.277 -6.754 17.839 1.00 0.00 C ATOM 0 H ALA A 41 -17.726 -6.400 19.700 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.749 -4.830 18.616 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.083 -6.727 17.105 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.351 -6.414 17.374 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.149 -7.775 18.200 1.00 0.00 H new ATOM 598 N LEU A 42 -20.803 -6.944 20.802 1.00 0.00 N ATOM 599 CA LEU A 42 -21.966 -7.388 21.552 1.00 0.00 C ATOM 600 C LEU A 42 -22.544 -6.208 22.335 1.00 0.00 C ATOM 601 O LEU A 42 -22.690 -6.278 23.554 1.00 0.00 O ATOM 602 CB LEU A 42 -21.611 -8.592 22.428 1.00 0.00 C ATOM 603 CG LEU A 42 -21.698 -9.962 21.751 1.00 0.00 C ATOM 604 CD1 LEU A 42 -20.519 -10.848 22.155 1.00 0.00 C ATOM 605 CD2 LEU A 42 -23.044 -10.631 22.040 1.00 0.00 C ATOM 0 H LEU A 42 -19.906 -7.224 21.199 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.746 -7.734 20.874 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -20.596 -8.457 22.802 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -22.273 -8.594 23.294 1.00 0.00 H new ATOM 0 HG LEU A 42 -21.636 -9.816 20.673 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -20.605 -11.816 21.660 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -19.586 -10.370 21.858 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -20.525 -10.991 23.236 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -23.080 -11.603 21.548 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -23.161 -10.764 23.116 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -23.851 -10.003 21.663 1.00 0.00 H new ATOM 616 N GLY A 43 -22.859 -5.149 21.602 1.00 0.00 N ATOM 617 CA GLY A 43 -23.417 -3.955 22.212 1.00 0.00 C ATOM 618 C GLY A 43 -23.393 -2.777 21.236 1.00 0.00 C ATOM 619 O GLY A 43 -24.404 -2.463 20.611 1.00 0.00 O ATOM 0 H GLY A 43 -22.738 -5.094 20.591 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -24.442 -4.149 22.528 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -22.850 -3.701 23.108 1.00 0.00 H new ATOM 623 N HIS A 44 -22.226 -2.157 21.135 1.00 0.00 N ATOM 624 CA HIS A 44 -22.056 -1.022 20.246 1.00 0.00 C ATOM 625 C HIS A 44 -20.816 -0.225 20.661 1.00 0.00 C ATOM 626 O HIS A 44 -20.856 1.002 20.727 1.00 0.00 O ATOM 627 CB HIS A 44 -23.325 -0.166 20.208 1.00 0.00 C ATOM 628 CG HIS A 44 -24.194 -0.412 18.999 1.00 0.00 C ATOM 629 ND1 HIS A 44 -23.679 -0.570 17.724 1.00 0.00 N ATOM 630 CD2 HIS A 44 -25.549 -0.525 18.883 1.00 0.00 C ATOM 631 CE1 HIS A 44 -24.686 -0.767 16.887 1.00 0.00 C ATOM 632 NE2 HIS A 44 -25.845 -0.739 17.607 1.00 0.00 N ATOM 0 H HIS A 44 -21.389 -2.420 21.655 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.895 -1.375 19.228 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -23.909 -0.359 21.108 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -23.042 0.886 20.232 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -26.260 -0.453 19.693 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -24.604 -0.923 15.821 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -26.784 -0.862 17.227 1.00 0.00 H new ATOM 640 N VAL A 45 -19.746 -0.957 20.928 1.00 0.00 N ATOM 641 CA VAL A 45 -18.497 -0.336 21.335 1.00 0.00 C ATOM 642 C VAL A 45 -17.460 -0.510 20.224 1.00 0.00 C ATOM 643 O VAL A 45 -16.549 0.304 20.086 1.00 0.00 O ATOM 644 CB VAL A 45 -18.038 -0.910 22.677 1.00 0.00 C ATOM 645 CG1 VAL A 45 -16.515 -0.847 22.808 1.00 0.00 C ATOM 646 CG2 VAL A 45 -18.720 -0.191 23.843 1.00 0.00 C ATOM 0 H VAL A 45 -19.717 -1.975 20.871 1.00 0.00 H new ATOM 0 HA VAL A 45 -18.635 0.735 21.486 1.00 0.00 H new ATOM 0 HB VAL A 45 -18.334 -1.959 22.712 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.215 -1.261 23.771 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.057 -1.425 22.006 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -16.187 0.190 22.741 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -18.376 -0.618 24.785 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -18.470 0.869 23.813 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -19.800 -0.311 23.763 1.00 0.00 H new ATOM 656 N ASN A 46 -17.633 -1.578 19.460 1.00 0.00 N ATOM 657 CA ASN A 46 -16.723 -1.870 18.365 1.00 0.00 C ATOM 658 C ASN A 46 -16.677 -0.673 17.412 1.00 0.00 C ATOM 659 O ASN A 46 -15.705 -0.495 16.680 1.00 0.00 O ATOM 660 CB ASN A 46 -17.192 -3.090 17.569 1.00 0.00 C ATOM 661 CG ASN A 46 -18.696 -3.020 17.293 1.00 0.00 C ATOM 662 OD1 ASN A 46 -19.415 -2.199 17.838 1.00 0.00 O ATOM 663 ND2 ASN A 46 -19.128 -3.924 16.420 1.00 0.00 N ATOM 0 H ASN A 46 -18.390 -2.252 19.577 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.740 -2.072 18.789 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.648 -3.145 16.626 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.962 -4.000 18.123 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -20.116 -3.959 16.169 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -18.472 -4.582 16.001 1.00 0.00 H new ATOM 669 N CYS A 47 -17.741 0.116 17.453 1.00 0.00 N ATOM 670 CA CYS A 47 -17.834 1.290 16.603 1.00 0.00 C ATOM 671 C CYS A 47 -17.205 2.471 17.344 1.00 0.00 C ATOM 672 O CYS A 47 -16.779 3.443 16.722 1.00 0.00 O ATOM 673 CB CYS A 47 -19.280 1.578 16.193 1.00 0.00 C ATOM 674 SG CYS A 47 -20.171 2.387 17.571 1.00 0.00 S ATOM 0 H CYS A 47 -18.546 -0.035 18.062 1.00 0.00 H new ATOM 0 HA CYS A 47 -17.290 1.114 15.675 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -19.296 2.220 15.312 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.781 0.649 15.920 1.00 0.00 H new ATOM 0 HG CYS A 47 -20.219 1.581 18.589 1.00 0.00 H new ATOM 679 N THR A 48 -17.165 2.348 18.662 1.00 0.00 N ATOM 680 CA THR A 48 -16.595 3.393 19.496 1.00 0.00 C ATOM 681 C THR A 48 -15.074 3.245 19.570 1.00 0.00 C ATOM 682 O THR A 48 -14.343 4.221 19.406 1.00 0.00 O ATOM 683 CB THR A 48 -17.279 3.334 20.863 1.00 0.00 C ATOM 684 OG1 THR A 48 -18.629 3.700 20.592 1.00 0.00 O ATOM 685 CG2 THR A 48 -16.781 4.424 21.814 1.00 0.00 C ATOM 0 H THR A 48 -17.518 1.540 19.174 1.00 0.00 H new ATOM 0 HA THR A 48 -16.774 4.380 19.070 1.00 0.00 H new ATOM 0 HB THR A 48 -17.109 2.355 21.312 1.00 0.00 H new ATOM 0 HG1 THR A 48 -19.145 3.686 21.425 1.00 0.00 H new ATOM 0 HG21 THR A 48 -17.298 4.337 22.770 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.708 4.308 21.970 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.981 5.404 21.381 1.00 0.00 H new ATOM 693 N ILE A 49 -14.642 2.017 19.816 1.00 0.00 N ATOM 694 CA ILE A 49 -13.221 1.729 19.914 1.00 0.00 C ATOM 695 C ILE A 49 -12.554 2.011 18.567 1.00 0.00 C ATOM 696 O ILE A 49 -11.520 2.676 18.509 1.00 0.00 O ATOM 697 CB ILE A 49 -12.998 0.303 20.424 1.00 0.00 C ATOM 698 CG1 ILE A 49 -13.418 -0.727 19.374 1.00 0.00 C ATOM 699 CG2 ILE A 49 -13.709 0.082 21.761 1.00 0.00 C ATOM 700 CD1 ILE A 49 -13.264 -2.152 19.911 1.00 0.00 C ATOM 0 H ILE A 49 -15.251 1.210 19.950 1.00 0.00 H new ATOM 0 HA ILE A 49 -12.749 2.383 20.647 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.931 0.166 20.600 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -14.454 -0.554 19.084 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.811 -0.605 18.477 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.535 -0.939 22.101 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -13.320 0.782 22.500 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.779 0.245 21.635 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.569 -2.865 19.145 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.222 -2.330 20.177 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -13.891 -2.278 20.794 1.00 0.00 H new ATOM 711 N LYS A 50 -13.173 1.492 17.516 1.00 0.00 N ATOM 712 CA LYS A 50 -12.651 1.681 16.173 1.00 0.00 C ATOM 713 C LYS A 50 -12.308 3.158 15.966 1.00 0.00 C ATOM 714 O LYS A 50 -11.158 3.500 15.697 1.00 0.00 O ATOM 715 CB LYS A 50 -13.629 1.126 15.136 1.00 0.00 C ATOM 716 CG LYS A 50 -13.182 -0.252 14.643 1.00 0.00 C ATOM 717 CD LYS A 50 -13.462 -1.327 15.694 1.00 0.00 C ATOM 718 CE LYS A 50 -12.348 -2.376 15.717 1.00 0.00 C ATOM 719 NZ LYS A 50 -12.694 -3.520 14.844 1.00 0.00 N ATOM 0 H LYS A 50 -14.030 0.941 17.567 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.727 1.118 16.041 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.625 1.055 15.572 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.699 1.813 14.293 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.703 -0.498 13.718 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -12.117 -0.232 14.413 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -13.551 -0.865 16.677 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.416 -1.809 15.481 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.412 -1.928 15.385 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.190 -2.725 16.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.287 -4.392 15.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.728 -3.615 14.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.310 -3.358 13.891 1.00 0.00 H new ATOM 729 N GLU A 51 -13.327 3.993 16.100 1.00 0.00 N ATOM 730 CA GLU A 51 -13.148 5.425 15.931 1.00 0.00 C ATOM 731 C GLU A 51 -11.829 5.873 16.564 1.00 0.00 C ATOM 732 O GLU A 51 -11.236 6.862 16.136 1.00 0.00 O ATOM 733 CB GLU A 51 -14.330 6.199 16.520 1.00 0.00 C ATOM 734 CG GLU A 51 -14.514 7.542 15.810 1.00 0.00 C ATOM 735 CD GLU A 51 -15.310 8.516 16.680 1.00 0.00 C ATOM 736 OE1 GLU A 51 -16.554 8.390 16.683 1.00 0.00 O ATOM 737 OE2 GLU A 51 -14.657 9.368 17.323 1.00 0.00 O ATOM 0 H GLU A 51 -14.280 3.706 16.324 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.109 5.643 14.864 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.240 5.606 16.427 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.166 6.366 17.585 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.539 7.970 15.576 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.031 7.389 14.863 1.00 0.00 H new ATOM 742 N LEU A 52 -11.409 5.124 17.573 1.00 0.00 N ATOM 743 CA LEU A 52 -10.172 5.432 18.268 1.00 0.00 C ATOM 744 C LEU A 52 -9.036 4.596 17.675 1.00 0.00 C ATOM 745 O LEU A 52 -8.053 5.142 17.176 1.00 0.00 O ATOM 746 CB LEU A 52 -10.346 5.250 19.778 1.00 0.00 C ATOM 747 CG LEU A 52 -9.933 6.438 20.649 1.00 0.00 C ATOM 748 CD1 LEU A 52 -11.096 6.905 21.526 1.00 0.00 C ATOM 749 CD2 LEU A 52 -8.690 6.105 21.476 1.00 0.00 C ATOM 0 H LEU A 52 -11.904 4.305 17.925 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.906 6.479 18.125 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.394 5.025 19.978 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.768 4.379 20.088 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.671 7.268 19.993 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.776 7.750 22.135 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.930 7.209 20.893 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.412 6.089 22.176 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.417 6.966 22.086 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.901 5.254 22.123 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.865 5.857 20.809 1.00 0.00 H new ATOM 760 N ARG A 53 -9.208 3.284 17.749 1.00 0.00 N ATOM 761 CA ARG A 53 -8.211 2.367 17.226 1.00 0.00 C ATOM 762 C ARG A 53 -7.936 2.667 15.750 1.00 0.00 C ATOM 763 O ARG A 53 -6.862 3.153 15.401 1.00 0.00 O ATOM 764 CB ARG A 53 -8.670 0.914 17.367 1.00 0.00 C ATOM 765 CG ARG A 53 -7.821 -0.016 16.497 1.00 0.00 C ATOM 766 CD ARG A 53 -8.640 -0.576 15.333 1.00 0.00 C ATOM 767 NE ARG A 53 -7.810 -0.627 14.108 1.00 0.00 N ATOM 768 CZ ARG A 53 -6.730 -1.408 13.966 1.00 0.00 C ATOM 769 NH1 ARG A 53 -6.344 -2.208 14.969 1.00 0.00 N ATOM 770 NH2 ARG A 53 -6.037 -1.390 12.819 1.00 0.00 N ATOM 0 H ARG A 53 -10.024 2.835 18.164 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.298 2.505 17.805 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.600 0.606 18.410 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.718 0.830 17.080 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.959 0.528 16.111 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.436 -0.836 17.103 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.001 -1.574 15.579 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.518 0.047 15.162 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.076 -0.031 13.324 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.872 -2.223 15.841 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.522 -2.802 14.860 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.332 -0.782 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.215 -1.984 12.710 1.00 0.00 H new ATOM 781 N ARG A 54 -8.927 2.364 14.924 1.00 0.00 N ATOM 782 CA ARG A 54 -8.806 2.596 13.494 1.00 0.00 C ATOM 783 C ARG A 54 -9.110 4.058 13.166 1.00 0.00 C ATOM 784 O ARG A 54 -8.295 4.742 12.549 1.00 0.00 O ATOM 785 CB ARG A 54 -9.760 1.694 12.709 1.00 0.00 C ATOM 786 CG ARG A 54 -9.050 1.058 11.511 1.00 0.00 C ATOM 787 CD ARG A 54 -9.341 1.835 10.226 1.00 0.00 C ATOM 788 NE ARG A 54 -8.077 2.122 9.512 1.00 0.00 N ATOM 789 CZ ARG A 54 -7.320 1.188 8.918 1.00 0.00 C ATOM 790 NH1 ARG A 54 -7.695 -0.098 8.951 1.00 0.00 N ATOM 791 NH2 ARG A 54 -6.188 1.541 8.293 1.00 0.00 N ATOM 0 H ARG A 54 -9.817 1.960 15.217 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.782 2.362 13.205 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.149 0.913 13.363 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.615 2.275 12.363 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.975 1.035 11.691 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.376 0.024 11.397 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.008 1.258 9.585 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.854 2.767 10.463 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.762 3.091 9.469 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.556 -0.366 9.428 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.120 -0.809 8.499 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.902 2.520 8.269 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.612 0.831 7.841 1.00 0.00 H new ATOM 802 N LEU A 55 -10.287 4.495 13.592 1.00 0.00 N ATOM 803 CA LEU A 55 -10.709 5.864 13.350 1.00 0.00 C ATOM 804 C LEU A 55 -11.428 5.941 12.001 1.00 0.00 C ATOM 805 O LEU A 55 -11.491 7.005 11.386 1.00 0.00 O ATOM 806 CB LEU A 55 -9.520 6.820 13.468 1.00 0.00 C ATOM 807 CG LEU A 55 -8.558 6.554 14.628 1.00 0.00 C ATOM 808 CD1 LEU A 55 -7.120 6.409 14.126 1.00 0.00 C ATOM 809 CD2 LEU A 55 -8.684 7.636 15.702 1.00 0.00 C ATOM 0 H LEU A 55 -10.961 3.925 14.103 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.422 6.183 14.111 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.954 6.782 12.537 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.904 7.835 13.566 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.834 5.606 15.091 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.457 6.221 14.970 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.061 5.576 13.426 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.816 7.327 13.624 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.990 7.424 16.515 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.449 8.608 15.269 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.703 7.648 16.089 1.00 0.00 H new ATOM 820 N PHE A 56 -11.953 4.799 11.581 1.00 0.00 N ATOM 821 CA PHE A 56 -12.666 4.724 10.317 1.00 0.00 C ATOM 822 C PHE A 56 -13.399 3.389 10.179 1.00 0.00 C ATOM 823 O PHE A 56 -14.571 3.355 9.804 1.00 0.00 O ATOM 824 CB PHE A 56 -11.620 4.835 9.207 1.00 0.00 C ATOM 825 CG PHE A 56 -12.052 5.712 8.029 1.00 0.00 C ATOM 826 CD1 PHE A 56 -11.886 7.060 8.088 1.00 0.00 C ATOM 827 CD2 PHE A 56 -12.601 5.142 6.923 1.00 0.00 C ATOM 828 CE1 PHE A 56 -12.287 7.873 6.996 1.00 0.00 C ATOM 829 CE2 PHE A 56 -13.002 5.955 5.831 1.00 0.00 C ATOM 830 CZ PHE A 56 -12.837 7.304 5.890 1.00 0.00 C ATOM 0 H PHE A 56 -11.899 3.919 12.093 1.00 0.00 H new ATOM 0 HA PHE A 56 -13.407 5.522 10.260 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.699 5.239 9.629 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.390 3.836 8.837 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -11.449 7.512 8.966 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -12.732 4.071 6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -12.155 8.944 7.043 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -13.438 5.502 4.953 1.00 0.00 H new ATOM 0 HZ PHE A 56 -13.143 7.923 5.059 1.00 0.00 H new ATOM 839 N LEU A 57 -12.680 2.320 10.491 1.00 0.00 N ATOM 840 CA LEU A 57 -13.247 0.985 10.407 1.00 0.00 C ATOM 841 C LEU A 57 -14.674 1.006 10.958 1.00 0.00 C ATOM 842 O LEU A 57 -15.560 0.341 10.422 1.00 0.00 O ATOM 843 CB LEU A 57 -12.336 -0.029 11.101 1.00 0.00 C ATOM 844 CG LEU A 57 -12.393 -1.460 10.562 1.00 0.00 C ATOM 845 CD1 LEU A 57 -11.200 -1.751 9.649 1.00 0.00 C ATOM 846 CD2 LEU A 57 -12.500 -2.471 11.705 1.00 0.00 C ATOM 0 H LEU A 57 -11.709 2.352 10.802 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.310 0.663 9.367 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.308 0.325 11.027 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.590 -0.051 12.161 1.00 0.00 H new ATOM 0 HG LEU A 57 -13.293 -1.561 9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.265 -2.775 9.280 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.210 -1.060 8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.274 -1.626 10.210 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.539 -3.480 11.295 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.631 -2.377 12.356 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -13.406 -2.277 12.279 1.00 0.00 H new ATOM 857 N VAL A 58 -14.854 1.779 12.020 1.00 0.00 N ATOM 858 CA VAL A 58 -16.157 1.895 12.649 1.00 0.00 C ATOM 859 C VAL A 58 -16.811 0.514 12.719 1.00 0.00 C ATOM 860 O VAL A 58 -17.521 0.111 11.799 1.00 0.00 O ATOM 861 CB VAL A 58 -17.009 2.922 11.899 1.00 0.00 C ATOM 862 CG1 VAL A 58 -18.476 2.834 12.326 1.00 0.00 C ATOM 863 CG2 VAL A 58 -16.465 4.337 12.099 1.00 0.00 C ATOM 0 H VAL A 58 -14.118 2.331 12.460 1.00 0.00 H new ATOM 0 HA VAL A 58 -16.056 2.258 13.672 1.00 0.00 H new ATOM 0 HB VAL A 58 -16.954 2.689 10.836 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -19.059 3.574 11.778 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -18.859 1.837 12.109 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -18.556 3.028 13.396 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -17.089 5.047 11.556 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -16.475 4.584 13.161 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -15.443 4.390 11.724 1.00 0.00 H new ATOM 873 N ASP A 59 -16.547 -0.175 13.820 1.00 0.00 N ATOM 874 CA ASP A 59 -17.100 -1.503 14.023 1.00 0.00 C ATOM 875 C ASP A 59 -16.865 -2.346 12.768 1.00 0.00 C ATOM 876 O ASP A 59 -17.650 -2.292 11.822 1.00 0.00 O ATOM 877 CB ASP A 59 -18.608 -1.439 14.273 1.00 0.00 C ATOM 878 CG ASP A 59 -19.372 -2.727 13.955 1.00 0.00 C ATOM 879 OD1 ASP A 59 -18.716 -3.790 13.958 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.594 -2.617 13.716 1.00 0.00 O ATOM 0 H ASP A 59 -15.957 0.162 14.581 1.00 0.00 H new ATOM 0 HA ASP A 59 -16.609 -1.944 14.890 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.777 -1.183 15.319 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -19.026 -0.629 13.675 1.00 0.00 H new ATOM 884 N ASP A 60 -15.780 -3.106 12.799 1.00 0.00 N ATOM 885 CA ASP A 60 -15.431 -3.959 11.676 1.00 0.00 C ATOM 886 C ASP A 60 -14.211 -4.806 12.044 1.00 0.00 C ATOM 887 O ASP A 60 -13.575 -5.397 11.172 1.00 0.00 O ATOM 888 CB ASP A 60 -15.075 -3.127 10.442 1.00 0.00 C ATOM 889 CG ASP A 60 -16.020 -3.297 9.252 1.00 0.00 C ATOM 890 OD1 ASP A 60 -16.489 -4.439 9.058 1.00 0.00 O ATOM 891 OD2 ASP A 60 -16.254 -2.280 8.563 1.00 0.00 O ATOM 0 H ASP A 60 -15.131 -3.149 13.585 1.00 0.00 H new ATOM 0 HA ASP A 60 -16.292 -4.588 11.450 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -15.057 -2.075 10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.065 -3.389 10.125 1.00 0.00 H new