USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 290 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 5 THR OG1 : rot 33:sc= 0.0967 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.619 X(o=-0.62,f=-0.68) USER MOD Single : A 19 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.7) USER MOD Single : A 28 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.3) USER MOD Single : A 29 GLN : amide:sc=-0.00115 X(o=-0.0012,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 57 N THR A 5 5.187 -8.015 4.444 1.00 71.14 N ATOM 58 CA THR A 5 5.926 -7.872 5.691 1.00 22.44 C ATOM 59 C THR A 5 5.682 -9.061 6.614 1.00 22.01 C ATOM 60 O THR A 5 6.604 -9.814 6.927 1.00 74.20 O ATOM 61 CB THR A 5 5.539 -6.577 6.429 1.00 51.32 C ATOM 62 OG1 THR A 5 5.726 -5.448 5.567 1.00 21.25 O ATOM 63 CG2 THR A 5 6.372 -6.402 7.690 1.00 74.21 C ATOM 0 HA THR A 5 6.983 -7.829 5.428 1.00 22.44 H new ATOM 0 HB THR A 5 4.489 -6.647 6.714 1.00 51.32 H new ATOM 0 HG1 THR A 5 5.544 -5.710 4.640 1.00 21.25 H new ATOM 0 HG21 THR A 5 6.080 -5.480 8.194 1.00 74.21 H new ATOM 0 HG22 THR A 5 6.205 -7.248 8.356 1.00 74.21 H new ATOM 0 HG23 THR A 5 7.428 -6.352 7.424 1.00 74.21 H new ATOM 71 N GLU A 6 4.435 -9.223 7.046 1.00 63.34 N ATOM 72 CA GLU A 6 4.072 -10.322 7.933 1.00 13.42 C ATOM 73 C GLU A 6 4.185 -11.663 7.214 1.00 51.41 C ATOM 74 O GLU A 6 4.395 -12.700 7.842 1.00 23.50 O ATOM 75 CB GLU A 6 2.648 -10.131 8.459 1.00 34.34 C ATOM 76 CG GLU A 6 2.531 -9.055 9.526 1.00 63.04 C ATOM 77 CD GLU A 6 2.857 -7.672 8.996 1.00 14.20 C ATOM 78 OE1 GLU A 6 2.240 -7.262 7.990 1.00 63.52 O ATOM 79 OE2 GLU A 6 3.727 -6.999 9.587 1.00 32.20 O ATOM 0 H GLU A 6 3.660 -8.608 6.796 1.00 63.34 H new ATOM 0 HA GLU A 6 4.766 -10.322 8.773 1.00 13.42 H new ATOM 0 HB2 GLU A 6 1.993 -9.877 7.626 1.00 34.34 H new ATOM 0 HB3 GLU A 6 2.291 -11.076 8.868 1.00 34.34 H new ATOM 0 HG2 GLU A 6 1.518 -9.056 9.929 1.00 63.04 H new ATOM 0 HG3 GLU A 6 3.203 -9.292 10.351 1.00 63.04 H new ATOM 86 N TYR A 7 4.043 -11.633 5.893 1.00 3.45 N ATOM 87 CA TYR A 7 4.126 -12.845 5.088 1.00 24.21 C ATOM 88 C TYR A 7 5.564 -13.350 5.010 1.00 41.22 C ATOM 89 O TYR A 7 5.882 -14.428 5.510 1.00 65.00 O ATOM 90 CB TYR A 7 3.588 -12.585 3.680 1.00 31.42 C ATOM 91 CG TYR A 7 3.811 -13.736 2.725 1.00 50.13 C ATOM 92 CD1 TYR A 7 3.127 -14.935 2.878 1.00 35.12 C ATOM 93 CD2 TYR A 7 4.706 -13.623 1.668 1.00 52.03 C ATOM 94 CE1 TYR A 7 3.328 -15.989 2.008 1.00 11.10 C ATOM 95 CE2 TYR A 7 4.912 -14.671 0.792 1.00 65.13 C ATOM 96 CZ TYR A 7 4.222 -15.852 0.966 1.00 34.03 C ATOM 97 OH TYR A 7 4.424 -16.899 0.097 1.00 51.05 O ATOM 0 H TYR A 7 3.870 -10.782 5.358 1.00 3.45 H new ATOM 0 HA TYR A 7 3.516 -13.611 5.567 1.00 24.21 H new ATOM 0 HB2 TYR A 7 2.520 -12.376 3.741 1.00 31.42 H new ATOM 0 HB3 TYR A 7 4.065 -11.692 3.277 1.00 31.42 H new ATOM 0 HD1 TYR A 7 2.425 -15.045 3.692 1.00 35.12 H new ATOM 0 HD2 TYR A 7 5.250 -12.700 1.529 1.00 52.03 H new ATOM 0 HE1 TYR A 7 2.789 -16.915 2.143 1.00 11.10 H new ATOM 0 HE2 TYR A 7 5.610 -14.566 -0.025 1.00 65.13 H new ATOM 0 HH TYR A 7 5.083 -16.640 -0.580 1.00 51.05 H new ATOM 107 N GLU A 8 6.428 -12.561 4.379 1.00 52.53 N ATOM 108 CA GLU A 8 7.832 -12.927 4.234 1.00 12.15 C ATOM 109 C GLU A 8 8.472 -13.175 5.597 1.00 21.12 C ATOM 110 O GLU A 8 9.402 -13.971 5.722 1.00 44.01 O ATOM 111 CB GLU A 8 8.595 -11.828 3.493 1.00 41.52 C ATOM 112 CG GLU A 8 8.252 -11.739 2.015 1.00 13.33 C ATOM 113 CD GLU A 8 9.368 -11.126 1.193 1.00 45.13 C ATOM 114 OE1 GLU A 8 10.292 -10.537 1.793 1.00 53.53 O ATOM 115 OE2 GLU A 8 9.319 -11.235 -0.050 1.00 63.22 O ATOM 0 H GLU A 8 6.180 -11.665 3.960 1.00 52.53 H new ATOM 0 HA GLU A 8 7.883 -13.848 3.654 1.00 12.15 H new ATOM 0 HB2 GLU A 8 8.383 -10.869 3.965 1.00 41.52 H new ATOM 0 HB3 GLU A 8 9.665 -12.006 3.599 1.00 41.52 H new ATOM 0 HG2 GLU A 8 8.033 -12.737 1.636 1.00 13.33 H new ATOM 0 HG3 GLU A 8 7.346 -11.145 1.891 1.00 13.33 H new ATOM 122 N ALA A 9 7.967 -12.487 6.616 1.00 72.31 N ATOM 123 CA ALA A 9 8.487 -12.634 7.969 1.00 4.55 C ATOM 124 C ALA A 9 8.069 -13.968 8.577 1.00 11.15 C ATOM 125 O ALA A 9 8.677 -14.442 9.538 1.00 73.23 O ATOM 126 CB ALA A 9 8.015 -11.482 8.844 1.00 40.50 C ATOM 0 H ALA A 9 7.198 -11.822 6.530 1.00 72.31 H new ATOM 0 HA ALA A 9 9.576 -12.614 7.917 1.00 4.55 H new ATOM 0 HB1 ALA A 9 8.411 -11.605 9.852 1.00 40.50 H new ATOM 0 HB2 ALA A 9 8.370 -10.539 8.427 1.00 40.50 H new ATOM 0 HB3 ALA A 9 6.926 -11.475 8.880 1.00 40.50 H new ATOM 132 N CYS A 10 7.027 -14.569 8.013 1.00 32.02 N ATOM 133 CA CYS A 10 6.526 -15.849 8.500 1.00 54.50 C ATOM 134 C CYS A 10 7.270 -17.009 7.845 1.00 11.15 C ATOM 135 O CYS A 10 7.609 -17.993 8.504 1.00 53.53 O ATOM 136 CB CYS A 10 5.026 -15.970 8.225 1.00 75.42 C ATOM 137 SG CYS A 10 4.123 -16.968 9.453 1.00 31.10 S ATOM 0 H CYS A 10 6.513 -14.190 7.218 1.00 32.02 H new ATOM 0 HA CYS A 10 6.696 -15.893 9.576 1.00 54.50 H new ATOM 0 HB2 CYS A 10 4.591 -14.971 8.194 1.00 75.42 H new ATOM 0 HB3 CYS A 10 4.883 -16.411 7.238 1.00 75.42 H new ATOM 142 N ARG A 11 7.521 -16.886 6.546 1.00 11.12 N ATOM 143 CA ARG A 11 8.224 -17.924 5.802 1.00 31.03 C ATOM 144 C ARG A 11 9.689 -17.997 6.223 1.00 51.33 C ATOM 145 O ARG A 11 10.320 -19.050 6.134 1.00 73.20 O ATOM 146 CB ARG A 11 8.126 -17.659 4.299 1.00 42.22 C ATOM 147 CG ARG A 11 8.983 -16.494 3.829 1.00 74.41 C ATOM 148 CD ARG A 11 8.932 -16.340 2.317 1.00 55.20 C ATOM 149 NE ARG A 11 9.871 -17.232 1.643 1.00 23.05 N ATOM 150 CZ ARG A 11 10.289 -17.053 0.395 1.00 1.34 C ATOM 151 NH1 ARG A 11 9.853 -16.019 -0.311 1.00 60.02 N ATOM 152 NH2 ARG A 11 11.145 -17.908 -0.148 1.00 64.23 N ATOM 0 H ARG A 11 7.248 -16.078 5.987 1.00 11.12 H new ATOM 0 HA ARG A 11 7.752 -18.880 6.026 1.00 31.03 H new ATOM 0 HB2 ARG A 11 8.423 -18.558 3.760 1.00 42.22 H new ATOM 0 HB3 ARG A 11 7.086 -17.461 4.040 1.00 42.22 H new ATOM 0 HG2 ARG A 11 8.639 -15.574 4.301 1.00 74.41 H new ATOM 0 HG3 ARG A 11 10.014 -16.649 4.146 1.00 74.41 H new ATOM 0 HD2 ARG A 11 7.921 -16.546 1.966 1.00 55.20 H new ATOM 0 HD3 ARG A 11 9.158 -15.308 2.050 1.00 55.20 H new ATOM 0 HE ARG A 11 10.226 -18.037 2.159 1.00 23.05 H new ATOM 0 HH11 ARG A 11 9.195 -15.359 0.104 1.00 60.02 H new ATOM 0 HH12 ARG A 11 10.175 -15.883 -1.269 1.00 60.02 H new ATOM 0 HH21 ARG A 11 11.483 -18.704 0.393 1.00 64.23 H new ATOM 0 HH22 ARG A 11 11.465 -17.770 -1.106 1.00 64.23 H new ATOM 166 N VAL A 12 10.225 -16.869 6.680 1.00 34.43 N ATOM 167 CA VAL A 12 11.615 -16.805 7.115 1.00 52.00 C ATOM 168 C VAL A 12 11.754 -17.223 8.575 1.00 41.35 C ATOM 169 O VAL A 12 12.745 -17.842 8.962 1.00 61.14 O ATOM 170 CB VAL A 12 12.192 -15.388 6.941 1.00 42.24 C ATOM 171 CG1 VAL A 12 13.625 -15.328 7.449 1.00 34.31 C ATOM 172 CG2 VAL A 12 12.117 -14.958 5.483 1.00 13.34 C ATOM 0 H VAL A 12 9.717 -15.988 6.758 1.00 34.43 H new ATOM 0 HA VAL A 12 12.176 -17.498 6.487 1.00 52.00 H new ATOM 0 HB VAL A 12 11.593 -14.696 7.532 1.00 42.24 H new ATOM 0 HG11 VAL A 12 14.016 -14.319 7.318 1.00 34.31 H new ATOM 0 HG12 VAL A 12 13.647 -15.591 8.507 1.00 34.31 H new ATOM 0 HG13 VAL A 12 14.240 -16.031 6.887 1.00 34.31 H new ATOM 0 HG21 VAL A 12 12.529 -13.954 5.378 1.00 13.34 H new ATOM 0 HG22 VAL A 12 12.691 -15.652 4.869 1.00 13.34 H new ATOM 0 HG23 VAL A 12 11.077 -14.959 5.156 1.00 13.34 H new ATOM 182 N ARG A 13 10.755 -16.880 9.380 1.00 15.24 N ATOM 183 CA ARG A 13 10.766 -17.219 10.798 1.00 13.34 C ATOM 184 C ARG A 13 10.366 -18.676 11.012 1.00 13.44 C ATOM 185 O ARG A 13 10.898 -19.354 11.891 1.00 23.21 O ATOM 186 CB ARG A 13 9.818 -16.300 11.572 1.00 42.34 C ATOM 187 CG ARG A 13 10.388 -14.914 11.828 1.00 52.04 C ATOM 188 CD ARG A 13 9.373 -14.012 12.513 1.00 70.31 C ATOM 189 NE ARG A 13 9.842 -12.633 12.607 1.00 4.44 N ATOM 190 CZ ARG A 13 9.128 -11.648 13.142 1.00 62.32 C ATOM 191 NH1 ARG A 13 7.918 -11.891 13.627 1.00 5.45 N ATOM 192 NH2 ARG A 13 9.624 -10.419 13.192 1.00 41.43 N ATOM 0 H ARG A 13 9.927 -16.368 9.075 1.00 15.24 H new ATOM 0 HA ARG A 13 11.781 -17.080 11.171 1.00 13.34 H new ATOM 0 HB2 ARG A 13 8.885 -16.203 11.016 1.00 42.34 H new ATOM 0 HB3 ARG A 13 9.573 -16.765 12.527 1.00 42.34 H new ATOM 0 HG2 ARG A 13 11.281 -14.995 12.448 1.00 52.04 H new ATOM 0 HG3 ARG A 13 10.696 -14.466 10.883 1.00 52.04 H new ATOM 0 HD2 ARG A 13 8.434 -14.039 11.961 1.00 70.31 H new ATOM 0 HD3 ARG A 13 9.166 -14.393 13.513 1.00 70.31 H new ATOM 0 HE ARG A 13 10.769 -12.413 12.242 1.00 4.44 H new ATOM 0 HH11 ARG A 13 7.534 -12.835 13.590 1.00 5.45 H new ATOM 0 HH12 ARG A 13 7.371 -11.134 14.037 1.00 5.45 H new ATOM 0 HH21 ARG A 13 10.554 -10.229 12.820 1.00 41.43 H new ATOM 0 HH22 ARG A 13 9.075 -9.664 13.603 1.00 41.43 H new ATOM 206 N CYS A 14 9.424 -19.150 10.204 1.00 60.12 N ATOM 207 CA CYS A 14 8.951 -20.525 10.304 1.00 20.41 C ATOM 208 C CYS A 14 9.999 -21.501 9.776 1.00 52.13 C ATOM 209 O CYS A 14 10.324 -22.491 10.430 1.00 64.01 O ATOM 210 CB CYS A 14 7.643 -20.695 9.528 1.00 23.05 C ATOM 211 SG CYS A 14 6.889 -22.345 9.694 1.00 0.12 S ATOM 0 H CYS A 14 8.973 -18.601 9.472 1.00 60.12 H new ATOM 0 HA CYS A 14 8.772 -20.745 11.356 1.00 20.41 H new ATOM 0 HB2 CYS A 14 6.930 -19.945 9.870 1.00 23.05 H new ATOM 0 HB3 CYS A 14 7.831 -20.498 8.473 1.00 23.05 H new ATOM 216 N GLN A 15 10.522 -21.213 8.588 1.00 1.45 N ATOM 217 CA GLN A 15 11.532 -22.064 7.972 1.00 25.53 C ATOM 218 C GLN A 15 12.687 -22.323 8.935 1.00 70.13 C ATOM 219 O GLN A 15 13.295 -23.394 8.918 1.00 14.33 O ATOM 220 CB GLN A 15 12.058 -21.421 6.688 1.00 70.11 C ATOM 221 CG GLN A 15 12.875 -20.162 6.928 1.00 23.13 C ATOM 222 CD GLN A 15 13.483 -19.608 5.654 1.00 34.45 C ATOM 223 OE1 GLN A 15 12.820 -19.533 4.619 1.00 3.42 O ATOM 224 NE2 GLN A 15 14.750 -19.217 5.724 1.00 72.53 N ATOM 0 H GLN A 15 10.263 -20.397 8.034 1.00 1.45 H new ATOM 0 HA GLN A 15 11.066 -23.018 7.727 1.00 25.53 H new ATOM 0 HB2 GLN A 15 12.672 -22.146 6.154 1.00 70.11 H new ATOM 0 HB3 GLN A 15 11.215 -21.179 6.041 1.00 70.11 H new ATOM 0 HG2 GLN A 15 12.239 -19.402 7.383 1.00 23.13 H new ATOM 0 HG3 GLN A 15 13.670 -20.380 7.641 1.00 23.13 H new ATOM 0 HE21 GLN A 15 15.261 -19.298 6.603 1.00 72.53 H new ATOM 0 HE22 GLN A 15 15.212 -18.836 4.899 1.00 72.53 H new ATOM 233 N VAL A 16 12.985 -21.335 9.773 1.00 60.23 N ATOM 234 CA VAL A 16 14.066 -21.456 10.743 1.00 24.02 C ATOM 235 C VAL A 16 13.556 -22.011 12.068 1.00 1.24 C ATOM 236 O VAL A 16 14.315 -22.594 12.842 1.00 12.11 O ATOM 237 CB VAL A 16 14.748 -20.098 10.996 1.00 31.11 C ATOM 238 CG1 VAL A 16 13.779 -19.129 11.656 1.00 51.21 C ATOM 239 CG2 VAL A 16 15.996 -20.279 11.847 1.00 71.02 C ATOM 0 H VAL A 16 12.493 -20.442 9.799 1.00 60.23 H new ATOM 0 HA VAL A 16 14.795 -22.147 10.320 1.00 24.02 H new ATOM 0 HB VAL A 16 15.048 -19.677 10.036 1.00 31.11 H new ATOM 0 HG11 VAL A 16 14.278 -18.175 11.827 1.00 51.21 H new ATOM 0 HG12 VAL A 16 12.918 -18.976 11.006 1.00 51.21 H new ATOM 0 HG13 VAL A 16 13.446 -19.540 12.609 1.00 51.21 H new ATOM 0 HG21 VAL A 16 16.465 -19.310 12.016 1.00 71.02 H new ATOM 0 HG22 VAL A 16 15.722 -20.721 12.805 1.00 71.02 H new ATOM 0 HG23 VAL A 16 16.696 -20.936 11.331 1.00 71.02 H new ATOM 249 N ALA A 17 12.265 -21.825 12.323 1.00 21.43 N ATOM 250 CA ALA A 17 11.652 -22.310 13.554 1.00 42.41 C ATOM 251 C ALA A 17 11.398 -23.812 13.487 1.00 40.34 C ATOM 252 O ALA A 17 11.361 -24.490 14.512 1.00 24.24 O ATOM 253 CB ALA A 17 10.354 -21.564 13.826 1.00 72.44 C ATOM 0 H ALA A 17 11.623 -21.342 11.694 1.00 21.43 H new ATOM 0 HA ALA A 17 12.345 -22.122 14.374 1.00 42.41 H new ATOM 0 HB1 ALA A 17 9.907 -21.936 14.748 1.00 72.44 H new ATOM 0 HB2 ALA A 17 10.561 -20.499 13.927 1.00 72.44 H new ATOM 0 HB3 ALA A 17 9.663 -21.722 12.998 1.00 72.44 H new ATOM 259 N GLU A 18 11.223 -24.324 12.272 1.00 15.24 N ATOM 260 CA GLU A 18 10.970 -25.746 12.073 1.00 22.11 C ATOM 261 C GLU A 18 11.628 -26.240 10.788 1.00 73.52 C ATOM 262 O GLU A 18 12.053 -25.445 9.949 1.00 74.31 O ATOM 263 CB GLU A 18 9.465 -26.018 12.026 1.00 21.02 C ATOM 264 CG GLU A 18 9.075 -27.380 12.576 1.00 43.04 C ATOM 265 CD GLU A 18 9.572 -27.602 13.991 1.00 61.11 C ATOM 266 OE1 GLU A 18 9.042 -26.951 14.915 1.00 23.23 O ATOM 267 OE2 GLU A 18 10.491 -28.428 14.174 1.00 43.25 O ATOM 0 H GLU A 18 11.252 -23.776 11.412 1.00 15.24 H new ATOM 0 HA GLU A 18 11.403 -26.287 12.914 1.00 22.11 H new ATOM 0 HB2 GLU A 18 8.947 -25.245 12.593 1.00 21.02 H new ATOM 0 HB3 GLU A 18 9.122 -25.941 10.994 1.00 21.02 H new ATOM 0 HG2 GLU A 18 7.990 -27.478 12.557 1.00 43.04 H new ATOM 0 HG3 GLU A 18 9.477 -28.158 11.927 1.00 43.04 H new ATOM 274 N HIS A 19 11.709 -27.559 10.641 1.00 75.13 N ATOM 275 CA HIS A 19 12.314 -28.161 9.458 1.00 2.31 C ATOM 276 C HIS A 19 11.558 -29.419 9.041 1.00 45.21 C ATOM 277 O HIS A 19 11.396 -30.348 9.831 1.00 54.32 O ATOM 278 CB HIS A 19 13.781 -28.498 9.726 1.00 22.32 C ATOM 279 CG HIS A 19 14.712 -27.347 9.499 1.00 71.22 C ATOM 280 ND1 HIS A 19 15.596 -26.894 10.455 1.00 61.01 N ATOM 281 CD2 HIS A 19 14.894 -26.557 8.415 1.00 2.22 C ATOM 282 CE1 HIS A 19 16.281 -25.874 9.970 1.00 52.40 C ATOM 283 NE2 HIS A 19 15.874 -25.649 8.734 1.00 62.15 N ATOM 0 H HIS A 19 11.363 -28.231 11.326 1.00 75.13 H new ATOM 0 HA HIS A 19 12.258 -27.439 8.644 1.00 2.31 H new ATOM 0 HB2 HIS A 19 13.884 -28.840 10.756 1.00 22.32 H new ATOM 0 HB3 HIS A 19 14.078 -29.327 9.083 1.00 22.32 H new ATOM 0 HD2 HIS A 19 14.367 -26.627 7.475 1.00 2.22 H new ATOM 0 HE1 HIS A 19 17.044 -25.319 10.495 1.00 52.40 H new ATOM 0 HE2 HIS A 19 16.230 -24.919 8.116 1.00 62.15 H new ATOM 291 N GLY A 20 11.098 -29.441 7.794 1.00 40.33 N ATOM 292 CA GLY A 20 10.364 -30.589 7.294 1.00 43.31 C ATOM 293 C GLY A 20 9.586 -30.275 6.032 1.00 51.33 C ATOM 294 O GLY A 20 9.794 -29.234 5.408 1.00 12.21 O ATOM 0 H GLY A 20 11.220 -28.684 7.121 1.00 40.33 H new ATOM 0 HA2 GLY A 20 11.061 -31.403 7.094 1.00 43.31 H new ATOM 0 HA3 GLY A 20 9.676 -30.940 8.063 1.00 43.31 H new ATOM 298 N VAL A 21 8.687 -31.178 5.652 1.00 1.34 N ATOM 299 CA VAL A 21 7.875 -30.992 4.456 1.00 61.22 C ATOM 300 C VAL A 21 6.391 -30.940 4.801 1.00 21.12 C ATOM 301 O VAL A 21 5.655 -30.096 4.291 1.00 31.24 O ATOM 302 CB VAL A 21 8.114 -32.121 3.435 1.00 41.41 C ATOM 303 CG1 VAL A 21 7.237 -31.925 2.208 1.00 61.14 C ATOM 304 CG2 VAL A 21 9.583 -32.184 3.046 1.00 63.11 C ATOM 0 H VAL A 21 8.503 -32.046 6.156 1.00 1.34 H new ATOM 0 HA VAL A 21 8.175 -30.042 4.014 1.00 61.22 H new ATOM 0 HB VAL A 21 7.843 -33.070 3.898 1.00 41.41 H new ATOM 0 HG11 VAL A 21 7.419 -32.732 1.498 1.00 61.14 H new ATOM 0 HG12 VAL A 21 6.188 -31.933 2.505 1.00 61.14 H new ATOM 0 HG13 VAL A 21 7.474 -30.969 1.740 1.00 61.14 H new ATOM 0 HG21 VAL A 21 9.734 -32.987 2.324 1.00 63.11 H new ATOM 0 HG22 VAL A 21 9.883 -31.235 2.601 1.00 63.11 H new ATOM 0 HG23 VAL A 21 10.186 -32.375 3.933 1.00 63.11 H new ATOM 314 N GLU A 22 5.959 -31.848 5.671 1.00 63.11 N ATOM 315 CA GLU A 22 4.562 -31.905 6.084 1.00 20.21 C ATOM 316 C GLU A 22 4.196 -30.691 6.933 1.00 73.11 C ATOM 317 O GLU A 22 3.395 -29.852 6.521 1.00 15.25 O ATOM 318 CB GLU A 22 4.291 -33.190 6.869 1.00 23.41 C ATOM 319 CG GLU A 22 4.771 -34.447 6.163 1.00 71.42 C ATOM 320 CD GLU A 22 3.914 -34.807 4.965 1.00 54.53 C ATOM 321 OE1 GLU A 22 2.857 -35.442 5.162 1.00 74.24 O ATOM 322 OE2 GLU A 22 4.299 -34.453 3.831 1.00 1.41 O ATOM 0 H GLU A 22 6.556 -32.553 6.103 1.00 63.11 H new ATOM 0 HA GLU A 22 3.944 -31.899 5.186 1.00 20.21 H new ATOM 0 HB2 GLU A 22 4.778 -33.121 7.842 1.00 23.41 H new ATOM 0 HB3 GLU A 22 3.220 -33.274 7.054 1.00 23.41 H new ATOM 0 HG2 GLU A 22 5.802 -34.306 5.838 1.00 71.42 H new ATOM 0 HG3 GLU A 22 4.770 -35.278 6.868 1.00 71.42 H new ATOM 329 N ARG A 23 4.788 -30.606 8.120 1.00 52.23 N ATOM 330 CA ARG A 23 4.523 -29.496 9.028 1.00 70.34 C ATOM 331 C ARG A 23 4.941 -28.169 8.401 1.00 70.30 C ATOM 332 O ARG A 23 4.411 -27.114 8.749 1.00 65.31 O ATOM 333 CB ARG A 23 5.264 -29.704 10.350 1.00 15.21 C ATOM 334 CG ARG A 23 4.526 -30.606 11.326 1.00 1.21 C ATOM 335 CD ARG A 23 3.278 -29.931 11.874 1.00 61.50 C ATOM 336 NE ARG A 23 2.809 -30.564 13.104 1.00 60.33 N ATOM 337 CZ ARG A 23 2.208 -31.748 13.138 1.00 73.32 C ATOM 338 NH1 ARG A 23 2.004 -32.425 12.016 1.00 52.42 N ATOM 339 NH2 ARG A 23 1.809 -32.258 14.296 1.00 24.42 N ATOM 0 H ARG A 23 5.454 -31.292 8.475 1.00 52.23 H new ATOM 0 HA ARG A 23 3.451 -29.465 9.221 1.00 70.34 H new ATOM 0 HB2 ARG A 23 6.245 -30.132 10.144 1.00 15.21 H new ATOM 0 HB3 ARG A 23 5.431 -28.735 10.819 1.00 15.21 H new ATOM 0 HG2 ARG A 23 4.249 -31.535 10.827 1.00 1.21 H new ATOM 0 HG3 ARG A 23 5.189 -30.872 12.150 1.00 1.21 H new ATOM 0 HD2 ARG A 23 3.489 -28.879 12.065 1.00 61.50 H new ATOM 0 HD3 ARG A 23 2.488 -29.966 11.124 1.00 61.50 H new ATOM 0 HE ARG A 23 2.951 -30.070 13.985 1.00 60.33 H new ATOM 0 HH11 ARG A 23 2.309 -32.037 11.123 1.00 52.42 H new ATOM 0 HH12 ARG A 23 1.542 -33.334 12.046 1.00 52.42 H new ATOM 0 HH21 ARG A 23 1.964 -31.741 15.161 1.00 24.42 H new ATOM 0 HH22 ARG A 23 1.348 -33.167 14.321 1.00 24.42 H new ATOM 353 N GLN A 24 5.894 -28.232 7.476 1.00 12.44 N ATOM 354 CA GLN A 24 6.383 -27.035 6.803 1.00 41.43 C ATOM 355 C GLN A 24 5.339 -26.489 5.835 1.00 75.35 C ATOM 356 O GLN A 24 5.160 -25.277 5.717 1.00 13.14 O ATOM 357 CB GLN A 24 7.681 -27.340 6.053 1.00 74.45 C ATOM 358 CG GLN A 24 8.225 -26.156 5.271 1.00 42.30 C ATOM 359 CD GLN A 24 9.703 -26.290 4.962 1.00 62.45 C ATOM 360 OE1 GLN A 24 10.089 -26.944 3.992 1.00 22.11 O ATOM 361 NE2 GLN A 24 10.540 -25.671 5.786 1.00 53.32 N ATOM 0 H GLN A 24 6.342 -29.098 7.176 1.00 12.44 H new ATOM 0 HA GLN A 24 6.579 -26.277 7.562 1.00 41.43 H new ATOM 0 HB2 GLN A 24 8.435 -27.670 6.768 1.00 74.45 H new ATOM 0 HB3 GLN A 24 7.508 -28.169 5.367 1.00 74.45 H new ATOM 0 HG2 GLN A 24 7.670 -26.056 4.338 1.00 42.30 H new ATOM 0 HG3 GLN A 24 8.058 -25.242 5.841 1.00 42.30 H new ATOM 0 HE21 GLN A 24 10.177 -25.140 6.578 1.00 53.32 H new ATOM 0 HE22 GLN A 24 11.546 -25.727 5.627 1.00 53.32 H new ATOM 370 N ARG A 25 4.652 -27.392 5.143 1.00 74.44 N ATOM 371 CA ARG A 25 3.626 -27.001 4.183 1.00 32.53 C ATOM 372 C ARG A 25 2.386 -26.471 4.898 1.00 25.23 C ATOM 373 O ARG A 25 1.616 -25.695 4.333 1.00 3.31 O ATOM 374 CB ARG A 25 3.247 -28.189 3.297 1.00 61.41 C ATOM 375 CG ARG A 25 4.155 -28.363 2.090 1.00 10.32 C ATOM 376 CD ARG A 25 3.357 -28.666 0.832 1.00 60.22 C ATOM 377 NE ARG A 25 4.100 -28.333 -0.381 1.00 32.32 N ATOM 378 CZ ARG A 25 3.526 -28.134 -1.562 1.00 44.04 C ATOM 379 NH1 ARG A 25 2.210 -28.233 -1.690 1.00 4.15 N ATOM 380 NH2 ARG A 25 4.270 -27.834 -2.620 1.00 31.41 N ATOM 0 H ARG A 25 4.787 -28.399 5.229 1.00 74.44 H new ATOM 0 HA ARG A 25 4.033 -26.206 3.559 1.00 32.53 H new ATOM 0 HB2 ARG A 25 3.273 -29.100 3.895 1.00 61.41 H new ATOM 0 HB3 ARG A 25 2.220 -28.062 2.953 1.00 61.41 H new ATOM 0 HG2 ARG A 25 4.741 -27.456 1.941 1.00 10.32 H new ATOM 0 HG3 ARG A 25 4.861 -29.172 2.278 1.00 10.32 H new ATOM 0 HD2 ARG A 25 3.093 -29.723 0.816 1.00 60.22 H new ATOM 0 HD3 ARG A 25 2.423 -28.104 0.851 1.00 60.22 H new ATOM 0 HE ARG A 25 5.115 -28.249 -0.317 1.00 32.32 H new ATOM 0 HH11 ARG A 25 1.635 -28.463 -0.880 1.00 4.15 H new ATOM 0 HH12 ARG A 25 1.773 -28.079 -2.599 1.00 4.15 H new ATOM 0 HH21 ARG A 25 5.283 -27.756 -2.526 1.00 31.41 H new ATOM 0 HH22 ARG A 25 3.829 -27.681 -3.527 1.00 31.41 H new ATOM 394 N ARG A 26 2.201 -26.896 6.144 1.00 71.43 N ATOM 395 CA ARG A 26 1.055 -26.466 6.935 1.00 34.01 C ATOM 396 C ARG A 26 1.282 -25.070 7.507 1.00 42.42 C ATOM 397 O ARG A 26 0.356 -24.263 7.591 1.00 53.24 O ATOM 398 CB ARG A 26 0.791 -27.457 8.071 1.00 51.25 C ATOM 399 CG ARG A 26 -0.249 -28.512 7.729 1.00 1.42 C ATOM 400 CD ARG A 26 0.392 -29.871 7.500 1.00 73.55 C ATOM 401 NE ARG A 26 0.691 -30.104 6.089 1.00 32.52 N ATOM 402 CZ ARG A 26 -0.213 -30.509 5.203 1.00 24.14 C ATOM 403 NH1 ARG A 26 -1.465 -30.724 5.580 1.00 15.13 N ATOM 404 NH2 ARG A 26 0.136 -30.699 3.937 1.00 24.14 N ATOM 0 H ARG A 26 2.830 -27.537 6.627 1.00 71.43 H new ATOM 0 HA ARG A 26 0.185 -26.435 6.279 1.00 34.01 H new ATOM 0 HB2 ARG A 26 1.726 -27.952 8.334 1.00 51.25 H new ATOM 0 HB3 ARG A 26 0.462 -26.907 8.953 1.00 51.25 H new ATOM 0 HG2 ARG A 26 -0.976 -28.583 8.538 1.00 1.42 H new ATOM 0 HG3 ARG A 26 -0.795 -28.210 6.835 1.00 1.42 H new ATOM 0 HD2 ARG A 26 1.311 -29.941 8.082 1.00 73.55 H new ATOM 0 HD3 ARG A 26 -0.275 -30.653 7.863 1.00 73.55 H new ATOM 0 HE ARG A 26 1.646 -29.947 5.766 1.00 32.52 H new ATOM 0 HH11 ARG A 26 -1.737 -30.579 6.552 1.00 15.13 H new ATOM 0 HH12 ARG A 26 -2.157 -31.035 4.898 1.00 15.13 H new ATOM 0 HH21 ARG A 26 1.099 -30.534 3.643 1.00 24.14 H new ATOM 0 HH22 ARG A 26 -0.558 -31.010 3.258 1.00 24.14 H new ATOM 418 N CYS A 27 2.521 -24.791 7.899 1.00 32.33 N ATOM 419 CA CYS A 27 2.871 -23.494 8.464 1.00 1.30 C ATOM 420 C CYS A 27 2.963 -22.432 7.372 1.00 63.13 C ATOM 421 O CYS A 27 2.593 -21.277 7.583 1.00 63.53 O ATOM 422 CB CYS A 27 4.200 -23.584 9.217 1.00 42.45 C ATOM 423 SG CYS A 27 4.834 -21.979 9.801 1.00 51.22 S ATOM 0 H CYS A 27 3.300 -25.447 7.835 1.00 32.33 H new ATOM 0 HA CYS A 27 2.085 -23.205 9.162 1.00 1.30 H new ATOM 0 HB2 CYS A 27 4.076 -24.247 10.073 1.00 42.45 H new ATOM 0 HB3 CYS A 27 4.944 -24.041 8.565 1.00 42.45 H new ATOM 428 N GLN A 28 3.459 -22.833 6.205 1.00 12.43 N ATOM 429 CA GLN A 28 3.600 -21.916 5.080 1.00 12.45 C ATOM 430 C GLN A 28 2.239 -21.570 4.486 1.00 74.33 C ATOM 431 O GLN A 28 2.035 -20.468 3.978 1.00 11.11 O ATOM 432 CB GLN A 28 4.499 -22.528 4.005 1.00 31.42 C ATOM 433 CG GLN A 28 3.806 -23.590 3.166 1.00 44.34 C ATOM 434 CD GLN A 28 4.746 -24.261 2.183 1.00 33.55 C ATOM 435 OE1 GLN A 28 4.483 -24.298 0.981 1.00 0.20 O ATOM 436 NE2 GLN A 28 5.849 -24.798 2.692 1.00 60.15 N ATOM 0 H GLN A 28 3.769 -23.786 6.014 1.00 12.43 H new ATOM 0 HA GLN A 28 4.059 -20.998 5.447 1.00 12.45 H new ATOM 0 HB2 GLN A 28 4.858 -21.735 3.349 1.00 31.42 H new ATOM 0 HB3 GLN A 28 5.375 -22.968 4.482 1.00 31.42 H new ATOM 0 HG2 GLN A 28 3.376 -24.344 3.825 1.00 44.34 H new ATOM 0 HG3 GLN A 28 2.980 -23.135 2.620 1.00 44.34 H new ATOM 0 HE21 GLN A 28 6.027 -24.744 3.695 1.00 60.15 H new ATOM 0 HE22 GLN A 28 6.518 -25.265 2.080 1.00 60.15 H new ATOM 445 N GLN A 29 1.311 -22.520 4.552 1.00 22.10 N ATOM 446 CA GLN A 29 -0.030 -22.316 4.019 1.00 54.34 C ATOM 447 C GLN A 29 -0.815 -21.333 4.881 1.00 12.12 C ATOM 448 O GLN A 29 -1.522 -20.466 4.367 1.00 74.55 O ATOM 449 CB GLN A 29 -0.777 -23.648 3.935 1.00 71.14 C ATOM 450 CG GLN A 29 -0.533 -24.401 2.637 1.00 73.31 C ATOM 451 CD GLN A 29 -1.436 -23.933 1.512 1.00 24.51 C ATOM 452 OE1 GLN A 29 -0.980 -23.307 0.555 1.00 70.11 O ATOM 453 NE2 GLN A 29 -2.724 -24.236 1.622 1.00 40.13 N ATOM 0 H GLN A 29 1.464 -23.438 4.969 1.00 22.10 H new ATOM 0 HA GLN A 29 0.065 -21.897 3.017 1.00 54.34 H new ATOM 0 HB2 GLN A 29 -0.476 -24.277 4.773 1.00 71.14 H new ATOM 0 HB3 GLN A 29 -1.846 -23.463 4.043 1.00 71.14 H new ATOM 0 HG2 GLN A 29 0.508 -24.275 2.339 1.00 73.31 H new ATOM 0 HG3 GLN A 29 -0.690 -25.467 2.804 1.00 73.31 H new ATOM 0 HE21 GLN A 29 -3.058 -24.757 2.433 1.00 40.13 H new ATOM 0 HE22 GLN A 29 -3.379 -23.948 0.895 1.00 40.13 H new ATOM 462 N VAL A 30 -0.686 -21.474 6.197 1.00 52.33 N ATOM 463 CA VAL A 30 -1.383 -20.598 7.131 1.00 1.22 C ATOM 464 C VAL A 30 -0.948 -19.147 6.954 1.00 61.54 C ATOM 465 O VAL A 30 -1.780 -18.253 6.799 1.00 43.23 O ATOM 466 CB VAL A 30 -1.133 -21.022 8.591 1.00 71.13 C ATOM 467 CG1 VAL A 30 -1.844 -20.080 9.550 1.00 11.20 C ATOM 468 CG2 VAL A 30 -1.581 -22.459 8.811 1.00 11.15 C ATOM 0 H VAL A 30 -0.105 -22.186 6.640 1.00 52.33 H new ATOM 0 HA VAL A 30 -2.447 -20.685 6.912 1.00 1.22 H new ATOM 0 HB VAL A 30 -0.063 -20.964 8.791 1.00 71.13 H new ATOM 0 HG11 VAL A 30 -1.656 -20.395 10.576 1.00 11.20 H new ATOM 0 HG12 VAL A 30 -1.470 -19.066 9.408 1.00 11.20 H new ATOM 0 HG13 VAL A 30 -2.916 -20.103 9.354 1.00 11.20 H new ATOM 0 HG21 VAL A 30 -1.397 -22.743 9.847 1.00 11.15 H new ATOM 0 HG22 VAL A 30 -2.646 -22.545 8.594 1.00 11.15 H new ATOM 0 HG23 VAL A 30 -1.021 -23.120 8.149 1.00 11.15 H new ATOM 478 N CYS A 31 0.361 -18.921 6.976 1.00 23.25 N ATOM 479 CA CYS A 31 0.909 -17.579 6.818 1.00 73.31 C ATOM 480 C CYS A 31 0.501 -16.981 5.475 1.00 42.23 C ATOM 481 O CYS A 31 0.125 -15.812 5.394 1.00 44.12 O ATOM 482 CB CYS A 31 2.434 -17.611 6.933 1.00 61.44 C ATOM 483 SG CYS A 31 3.048 -18.346 8.482 1.00 31.34 S ATOM 0 H CYS A 31 1.063 -19.650 7.102 1.00 23.25 H new ATOM 0 HA CYS A 31 0.505 -16.952 7.613 1.00 73.31 H new ATOM 0 HB2 CYS A 31 2.839 -18.173 6.091 1.00 61.44 H new ATOM 0 HB3 CYS A 31 2.815 -16.593 6.850 1.00 61.44 H new ATOM 488 N GLU A 32 0.579 -17.791 4.424 1.00 74.41 N ATOM 489 CA GLU A 32 0.218 -17.341 3.085 1.00 62.34 C ATOM 490 C GLU A 32 -1.190 -16.754 3.069 1.00 40.54 C ATOM 491 O GLU A 32 -1.403 -15.635 2.600 1.00 74.20 O ATOM 492 CB GLU A 32 0.310 -18.501 2.091 1.00 71.13 C ATOM 493 CG GLU A 32 0.031 -18.094 0.653 1.00 24.54 C ATOM 494 CD GLU A 32 0.254 -19.229 -0.327 1.00 63.25 C ATOM 495 OE1 GLU A 32 1.421 -19.635 -0.511 1.00 52.11 O ATOM 496 OE2 GLU A 32 -0.739 -19.711 -0.911 1.00 61.44 O ATOM 0 H GLU A 32 0.889 -18.762 4.474 1.00 74.41 H new ATOM 0 HA GLU A 32 0.921 -16.562 2.790 1.00 62.34 H new ATOM 0 HB2 GLU A 32 1.306 -18.940 2.149 1.00 71.13 H new ATOM 0 HB3 GLU A 32 -0.398 -19.277 2.384 1.00 71.13 H new ATOM 0 HG2 GLU A 32 -0.998 -17.745 0.571 1.00 24.54 H new ATOM 0 HG3 GLU A 32 0.674 -17.256 0.385 1.00 24.54 H new ATOM 503 N LYS A 33 -2.149 -17.516 3.584 1.00 44.14 N ATOM 504 CA LYS A 33 -3.537 -17.073 3.630 1.00 0.24 C ATOM 505 C LYS A 33 -3.683 -15.834 4.508 1.00 54.20 C ATOM 506 O LYS A 33 -4.420 -14.907 4.171 1.00 1.41 O ATOM 507 CB LYS A 33 -4.434 -18.194 4.159 1.00 72.21 C ATOM 508 CG LYS A 33 -4.430 -19.438 3.288 1.00 63.42 C ATOM 509 CD LYS A 33 -5.784 -20.127 3.292 1.00 32.11 C ATOM 510 CE LYS A 33 -5.954 -21.030 2.080 1.00 31.43 C ATOM 511 NZ LYS A 33 -7.231 -21.795 2.133 1.00 51.32 N ATOM 0 H LYS A 33 -1.990 -18.444 3.976 1.00 44.14 H new ATOM 0 HA LYS A 33 -3.845 -16.817 2.616 1.00 0.24 H new ATOM 0 HB2 LYS A 33 -4.110 -18.463 5.164 1.00 72.21 H new ATOM 0 HB3 LYS A 33 -5.455 -17.822 4.242 1.00 72.21 H new ATOM 0 HG2 LYS A 33 -4.162 -19.167 2.267 1.00 63.42 H new ATOM 0 HG3 LYS A 33 -3.668 -20.130 3.645 1.00 63.42 H new ATOM 0 HD2 LYS A 33 -5.891 -20.715 4.203 1.00 32.11 H new ATOM 0 HD3 LYS A 33 -6.575 -19.377 3.302 1.00 32.11 H new ATOM 0 HE2 LYS A 33 -5.929 -20.428 1.172 1.00 31.43 H new ATOM 0 HE3 LYS A 33 -5.116 -21.725 2.025 1.00 31.43 H new ATOM 0 HZ1 LYS A 33 -7.309 -22.398 1.290 1.00 51.32 H new ATOM 0 HZ2 LYS A 33 -7.245 -22.389 2.986 1.00 51.32 H new ATOM 0 HZ3 LYS A 33 -8.032 -21.132 2.160 1.00 51.32 H new ATOM 525 N ARG A 34 -2.977 -15.825 5.634 1.00 42.45 N ATOM 526 CA ARG A 34 -3.028 -14.699 6.559 1.00 74.22 C ATOM 527 C ARG A 34 -2.669 -13.396 5.851 1.00 60.23 C ATOM 528 O ARG A 34 -3.086 -12.315 6.268 1.00 54.14 O ATOM 529 CB ARG A 34 -2.077 -14.933 7.733 1.00 23.14 C ATOM 530 CG ARG A 34 -2.487 -16.091 8.629 1.00 54.51 C ATOM 531 CD ARG A 34 -3.293 -15.610 9.826 1.00 73.24 C ATOM 532 NE ARG A 34 -4.701 -15.411 9.493 1.00 74.20 N ATOM 533 CZ ARG A 34 -5.552 -14.743 10.265 1.00 64.33 C ATOM 534 NH1 ARG A 34 -5.138 -14.213 11.407 1.00 14.43 N ATOM 535 NH2 ARG A 34 -6.818 -14.605 9.894 1.00 40.33 N ATOM 0 H ARG A 34 -2.363 -16.585 5.928 1.00 42.45 H new ATOM 0 HA ARG A 34 -4.047 -14.618 6.937 1.00 74.22 H new ATOM 0 HB2 ARG A 34 -1.075 -15.121 7.346 1.00 23.14 H new ATOM 0 HB3 ARG A 34 -2.022 -14.024 8.332 1.00 23.14 H new ATOM 0 HG2 ARG A 34 -3.077 -16.806 8.055 1.00 54.51 H new ATOM 0 HG3 ARG A 34 -1.598 -16.617 8.975 1.00 54.51 H new ATOM 0 HD2 ARG A 34 -3.211 -16.337 10.634 1.00 73.24 H new ATOM 0 HD3 ARG A 34 -2.872 -14.675 10.194 1.00 73.24 H new ATOM 0 HE ARG A 34 -5.050 -15.806 8.620 1.00 74.20 H new ATOM 0 HH11 ARG A 34 -4.165 -14.317 11.695 1.00 14.43 H new ATOM 0 HH12 ARG A 34 -5.792 -13.701 11.998 1.00 14.43 H new ATOM 0 HH21 ARG A 34 -7.139 -15.012 9.016 1.00 40.33 H new ATOM 0 HH22 ARG A 34 -7.470 -14.092 10.487 1.00 40.33 H new ATOM 549 N LEU A 35 -1.892 -13.506 4.779 1.00 72.53 N ATOM 550 CA LEU A 35 -1.476 -12.337 4.012 1.00 23.22 C ATOM 551 C LEU A 35 -2.568 -11.907 3.038 1.00 22.31 C ATOM 552 O LEU A 35 -2.936 -10.734 2.981 1.00 44.20 O ATOM 553 CB LEU A 35 -0.185 -12.637 3.249 1.00 45.03 C ATOM 554 CG LEU A 35 0.321 -11.529 2.324 1.00 70.21 C ATOM 555 CD1 LEU A 35 0.839 -10.352 3.135 1.00 50.41 C ATOM 556 CD2 LEU A 35 1.406 -12.060 1.399 1.00 62.52 C ATOM 0 H LEU A 35 -1.537 -14.393 4.421 1.00 72.53 H new ATOM 0 HA LEU A 35 -1.297 -11.520 4.711 1.00 23.22 H new ATOM 0 HB2 LEU A 35 0.597 -12.863 3.973 1.00 45.03 H new ATOM 0 HB3 LEU A 35 -0.339 -13.537 2.654 1.00 45.03 H new ATOM 0 HG LEU A 35 -0.513 -11.184 1.713 1.00 70.21 H new ATOM 0 HD11 LEU A 35 1.195 -9.574 2.460 1.00 50.41 H new ATOM 0 HD12 LEU A 35 0.035 -9.955 3.755 1.00 50.41 H new ATOM 0 HD13 LEU A 35 1.659 -10.682 3.772 1.00 50.41 H new ATOM 0 HD21 LEU A 35 1.754 -11.258 0.748 1.00 62.52 H new ATOM 0 HD22 LEU A 35 2.240 -12.433 1.993 1.00 62.52 H new ATOM 0 HD23 LEU A 35 1.002 -12.870 0.792 1.00 62.52 H new ATOM 568 N ARG A 36 -3.084 -12.865 2.275 1.00 23.51 N ATOM 569 CA ARG A 36 -4.135 -12.586 1.304 1.00 23.11 C ATOM 570 C ARG A 36 -5.358 -11.981 1.986 1.00 11.22 C ATOM 571 O ARG A 36 -5.987 -11.066 1.455 1.00 3.23 O ATOM 572 CB ARG A 36 -4.530 -13.867 0.566 1.00 12.53 C ATOM 573 CG ARG A 36 -3.357 -14.583 -0.083 1.00 11.35 C ATOM 574 CD ARG A 36 -3.689 -16.036 -0.384 1.00 52.31 C ATOM 575 NE ARG A 36 -4.509 -16.172 -1.585 1.00 11.01 N ATOM 576 CZ ARG A 36 -4.815 -17.341 -2.137 1.00 44.35 C ATOM 577 NH1 ARG A 36 -4.371 -18.468 -1.600 1.00 23.34 N ATOM 578 NH2 ARG A 36 -5.566 -17.383 -3.230 1.00 52.02 N ATOM 0 H ARG A 36 -2.791 -13.841 2.311 1.00 23.51 H new ATOM 0 HA ARG A 36 -3.748 -11.865 0.584 1.00 23.11 H new ATOM 0 HB2 ARG A 36 -5.015 -14.545 1.268 1.00 12.53 H new ATOM 0 HB3 ARG A 36 -5.265 -13.622 -0.201 1.00 12.53 H new ATOM 0 HG2 ARG A 36 -3.083 -14.072 -1.006 1.00 11.35 H new ATOM 0 HG3 ARG A 36 -2.490 -14.536 0.576 1.00 11.35 H new ATOM 0 HD2 ARG A 36 -2.765 -16.600 -0.510 1.00 52.31 H new ATOM 0 HD3 ARG A 36 -4.215 -16.471 0.466 1.00 52.31 H new ATOM 0 HE ARG A 36 -4.866 -15.323 -2.024 1.00 11.01 H new ATOM 0 HH11 ARG A 36 -3.793 -18.440 -0.760 1.00 23.34 H new ATOM 0 HH12 ARG A 36 -4.608 -19.364 -2.026 1.00 23.34 H new ATOM 0 HH21 ARG A 36 -5.909 -16.517 -3.647 1.00 52.02 H new ATOM 0 HH22 ARG A 36 -5.801 -18.281 -3.653 1.00 52.02 H new ATOM 592 N GLU A 37 -5.689 -12.499 3.165 1.00 52.12 N ATOM 593 CA GLU A 37 -6.838 -12.010 3.918 1.00 51.21 C ATOM 594 C GLU A 37 -6.578 -10.606 4.457 1.00 24.32 C ATOM 595 O GLU A 37 -7.415 -9.713 4.324 1.00 22.52 O ATOM 596 CB GLU A 37 -7.161 -12.960 5.073 1.00 60.11 C ATOM 597 CG GLU A 37 -7.648 -14.326 4.619 1.00 22.13 C ATOM 598 CD GLU A 37 -9.104 -14.316 4.197 1.00 51.33 C ATOM 599 OE1 GLU A 37 -9.980 -14.405 5.082 1.00 10.41 O ATOM 600 OE2 GLU A 37 -9.367 -14.218 2.980 1.00 73.23 O ATOM 0 H GLU A 37 -5.178 -13.256 3.619 1.00 52.12 H new ATOM 0 HA GLU A 37 -7.692 -11.968 3.242 1.00 51.21 H new ATOM 0 HB2 GLU A 37 -6.270 -13.087 5.688 1.00 60.11 H new ATOM 0 HB3 GLU A 37 -7.922 -12.504 5.706 1.00 60.11 H new ATOM 0 HG2 GLU A 37 -7.034 -14.668 3.785 1.00 22.13 H new ATOM 0 HG3 GLU A 37 -7.513 -15.043 5.429 1.00 22.13 H new ATOM 607 N ARG A 38 -5.411 -10.420 5.067 1.00 74.13 N ATOM 608 CA ARG A 38 -5.041 -9.127 5.628 1.00 3.40 C ATOM 609 C ARG A 38 -5.028 -8.049 4.548 1.00 43.21 C ATOM 610 O ARG A 38 -5.335 -6.887 4.814 1.00 61.33 O ATOM 611 CB ARG A 38 -3.667 -9.211 6.296 1.00 62.35 C ATOM 612 CG ARG A 38 -3.719 -9.685 7.739 1.00 70.33 C ATOM 613 CD ARG A 38 -2.324 -9.899 8.306 1.00 73.23 C ATOM 614 NE ARG A 38 -2.344 -10.075 9.755 1.00 22.13 N ATOM 615 CZ ARG A 38 -1.336 -10.598 10.446 1.00 54.42 C ATOM 616 NH1 ARG A 38 -0.235 -10.993 9.822 1.00 53.10 N ATOM 617 NH2 ARG A 38 -1.429 -10.725 11.763 1.00 32.13 N ATOM 0 H ARG A 38 -4.707 -11.148 5.185 1.00 74.13 H new ATOM 0 HA ARG A 38 -5.786 -8.858 6.377 1.00 3.40 H new ATOM 0 HB2 ARG A 38 -3.034 -9.889 5.723 1.00 62.35 H new ATOM 0 HB3 ARG A 38 -3.195 -8.229 6.262 1.00 62.35 H new ATOM 0 HG2 ARG A 38 -4.251 -8.951 8.345 1.00 70.33 H new ATOM 0 HG3 ARG A 38 -4.283 -10.616 7.797 1.00 70.33 H new ATOM 0 HD2 ARG A 38 -1.874 -10.776 7.840 1.00 73.23 H new ATOM 0 HD3 ARG A 38 -1.695 -9.046 8.053 1.00 73.23 H new ATOM 0 HE ARG A 38 -3.177 -9.781 10.265 1.00 22.13 H new ATOM 0 HH11 ARG A 38 -0.160 -10.896 8.809 1.00 53.10 H new ATOM 0 HH12 ARG A 38 0.537 -11.394 10.355 1.00 53.10 H new ATOM 0 HH21 ARG A 38 -2.274 -10.421 12.246 1.00 32.13 H new ATOM 0 HH22 ARG A 38 -0.655 -11.126 12.293 1.00 32.13 H new ATOM 631 N GLU A 39 -4.669 -8.443 3.330 1.00 74.01 N ATOM 632 CA GLU A 39 -4.615 -7.510 2.211 1.00 53.22 C ATOM 633 C GLU A 39 -5.957 -6.808 2.022 1.00 33.30 C ATOM 634 O GLU A 39 -6.015 -5.670 1.558 1.00 34.24 O ATOM 635 CB GLU A 39 -4.225 -8.242 0.925 1.00 31.54 C ATOM 636 CG GLU A 39 -2.724 -8.371 0.730 1.00 22.41 C ATOM 637 CD GLU A 39 -2.121 -7.168 0.031 1.00 71.41 C ATOM 638 OE1 GLU A 39 -2.541 -6.033 0.338 1.00 43.21 O ATOM 639 OE2 GLU A 39 -1.231 -7.362 -0.823 1.00 23.13 O ATOM 0 H GLU A 39 -4.411 -9.401 3.093 1.00 74.01 H new ATOM 0 HA GLU A 39 -3.859 -6.758 2.436 1.00 53.22 H new ATOM 0 HB2 GLU A 39 -4.669 -9.238 0.935 1.00 31.54 H new ATOM 0 HB3 GLU A 39 -4.650 -7.712 0.072 1.00 31.54 H new ATOM 0 HG2 GLU A 39 -2.245 -8.500 1.701 1.00 22.41 H new ATOM 0 HG3 GLU A 39 -2.513 -9.268 0.148 1.00 22.41 H new