USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 388 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 4 SER OG : rot -100:sc= 0.123 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0801 USER MOD Single : A 9 TYR OH : rot 180:sc= 0.00099 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 21 HIS : no HD1:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.882 K(o=-0.88,f=-2.4!) USER MOD Single : A 30 GLN : amide:sc= -0.58 K(o=-0.58,f=-2.4!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 35 LYS NZ :NH3+ 158:sc= 1.29 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 15.533 5.189 2.234 1.00 0.00 N ATOM 2 CA PRO A 1 14.413 5.934 2.757 1.00 0.00 C ATOM 3 C PRO A 1 14.057 7.054 1.815 1.00 0.00 C ATOM 4 O PRO A 1 14.864 7.941 1.568 1.00 0.00 O ATOM 5 CB PRO A 1 14.787 6.480 4.116 1.00 0.00 C ATOM 6 CG PRO A 1 16.135 5.886 4.395 1.00 0.00 C ATOM 7 CD PRO A 1 16.394 4.817 3.342 1.00 0.00 C ATOM 0 H2 PRO A 1 16.049 5.752 1.557 1.00 0.00 H new ATOM 0 H3 PRO A 1 15.207 4.357 1.743 1.00 0.00 H new ATOM 0 HA PRO A 1 13.544 5.284 2.855 1.00 0.00 H new ATOM 0 HB2 PRO A 1 14.826 7.569 4.110 1.00 0.00 H new ATOM 0 HB3 PRO A 1 14.060 6.191 4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 1 16.907 6.655 4.358 1.00 0.00 H new ATOM 0 HG3 PRO A 1 16.163 5.453 5.395 1.00 0.00 H new ATOM 0 HD2 PRO A 1 17.442 4.799 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 1 16.152 3.822 3.717 1.00 0.00 H new ATOM 17 N ARG A 2 12.863 7.017 1.283 1.00 0.00 N ATOM 18 CA ARG A 2 12.432 8.023 0.348 1.00 0.00 C ATOM 19 C ARG A 2 11.484 8.990 0.981 1.00 0.00 C ATOM 20 O ARG A 2 10.666 8.614 1.825 1.00 0.00 O ATOM 21 CB ARG A 2 11.728 7.425 -0.865 1.00 0.00 C ATOM 22 CG ARG A 2 12.605 6.646 -1.810 1.00 0.00 C ATOM 23 CD ARG A 2 11.822 6.261 -3.054 1.00 0.00 C ATOM 24 NE ARG A 2 11.257 7.453 -3.718 1.00 0.00 N ATOM 25 CZ ARG A 2 10.623 7.467 -4.900 1.00 0.00 C ATOM 26 NH1 ARG A 2 10.473 6.345 -5.607 1.00 0.00 N ATOM 27 NH2 ARG A 2 10.138 8.612 -5.370 1.00 0.00 N ATOM 0 H ARG A 2 12.169 6.297 1.483 1.00 0.00 H new ATOM 0 HA ARG A 2 13.343 8.531 0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 2 10.932 6.769 -0.513 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.253 8.233 -1.422 1.00 0.00 H new ATOM 0 HG2 ARG A 2 13.473 7.243 -2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 2 12.980 5.750 -1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 2 12.474 5.730 -3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.018 5.576 -2.784 1.00 0.00 H new ATOM 0 HE ARG A 2 11.358 8.345 -3.235 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.842 5.464 -5.250 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.989 6.369 -6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.249 9.472 -4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.655 8.631 -6.268 1.00 0.00 H new ATOM 41 N GLY A 3 11.580 10.222 0.569 1.00 0.00 N ATOM 42 CA GLY A 3 10.612 11.209 0.950 1.00 0.00 C ATOM 43 C GLY A 3 9.470 11.163 -0.035 1.00 0.00 C ATOM 44 O GLY A 3 9.197 12.132 -0.749 1.00 0.00 O ATOM 0 H GLY A 3 12.325 10.568 -0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.250 11.015 1.960 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.065 12.200 0.959 1.00 0.00 H new ATOM 48 N SER A 4 8.846 10.015 -0.110 1.00 0.00 N ATOM 49 CA SER A 4 7.780 9.744 -1.021 1.00 0.00 C ATOM 50 C SER A 4 6.861 8.730 -0.361 1.00 0.00 C ATOM 51 O SER A 4 7.340 7.827 0.302 1.00 0.00 O ATOM 52 CB SER A 4 8.357 9.140 -2.314 1.00 0.00 C ATOM 53 OG SER A 4 9.368 9.974 -2.876 1.00 0.00 O ATOM 0 H SER A 4 9.080 9.220 0.485 1.00 0.00 H new ATOM 0 HA SER A 4 7.238 10.658 -1.265 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.773 8.155 -2.102 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.556 8.999 -3.040 1.00 0.00 H new ATOM 0 HG SER A 4 8.988 10.497 -3.612 1.00 0.00 H new ATOM 59 N PRO A 5 5.544 8.855 -0.524 1.00 0.00 N ATOM 60 CA PRO A 5 4.585 7.914 0.077 1.00 0.00 C ATOM 61 C PRO A 5 4.604 6.532 -0.607 1.00 0.00 C ATOM 62 O PRO A 5 4.020 5.568 -0.100 1.00 0.00 O ATOM 63 CB PRO A 5 3.241 8.601 -0.142 1.00 0.00 C ATOM 64 CG PRO A 5 3.452 9.464 -1.334 1.00 0.00 C ATOM 65 CD PRO A 5 4.869 9.941 -1.252 1.00 0.00 C ATOM 0 HA PRO A 5 4.813 7.711 1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.447 7.874 -0.314 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.950 9.190 0.728 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.281 8.906 -2.255 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.757 10.304 -1.336 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.301 10.093 -2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.945 10.890 -0.722 1.00 0.00 H new ATOM 73 N ARG A 6 5.293 6.451 -1.754 1.00 0.00 N ATOM 74 CA ARG A 6 5.419 5.201 -2.519 1.00 0.00 C ATOM 75 C ARG A 6 5.970 4.070 -1.676 1.00 0.00 C ATOM 76 O ARG A 6 5.483 2.954 -1.752 1.00 0.00 O ATOM 77 CB ARG A 6 6.317 5.350 -3.755 1.00 0.00 C ATOM 78 CG ARG A 6 5.795 6.269 -4.837 1.00 0.00 C ATOM 79 CD ARG A 6 6.635 6.147 -6.103 1.00 0.00 C ATOM 80 NE ARG A 6 6.595 4.775 -6.652 1.00 0.00 N ATOM 81 CZ ARG A 6 7.080 4.387 -7.844 1.00 0.00 C ATOM 82 NH1 ARG A 6 7.623 5.268 -8.667 1.00 0.00 N ATOM 83 NH2 ARG A 6 7.009 3.112 -8.200 1.00 0.00 N ATOM 0 H ARG A 6 5.776 7.244 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 6 4.404 4.966 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.291 5.716 -3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.475 4.362 -4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.757 6.023 -5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.810 7.300 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.270 6.850 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.667 6.422 -5.884 1.00 0.00 H new ATOM 0 HE ARG A 6 6.159 4.057 -6.073 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.676 6.251 -8.399 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.989 4.965 -9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.587 2.429 -7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.376 2.814 -9.104 1.00 0.00 H new ATOM 97 N THR A 7 6.954 4.369 -0.854 1.00 0.00 N ATOM 98 CA THR A 7 7.618 3.374 -0.054 1.00 0.00 C ATOM 99 C THR A 7 6.704 2.798 1.021 1.00 0.00 C ATOM 100 O THR A 7 6.803 1.628 1.356 1.00 0.00 O ATOM 101 CB THR A 7 8.879 3.975 0.540 1.00 0.00 C ATOM 102 OG1 THR A 7 8.597 5.337 0.882 1.00 0.00 O ATOM 103 CG2 THR A 7 10.003 3.932 -0.472 1.00 0.00 C ATOM 0 H THR A 7 7.314 5.315 -0.725 1.00 0.00 H new ATOM 0 HA THR A 7 7.891 2.535 -0.694 1.00 0.00 H new ATOM 0 HB THR A 7 9.184 3.410 1.421 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.397 5.749 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.903 4.366 -0.035 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.199 2.898 -0.754 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.718 4.502 -1.357 1.00 0.00 H new ATOM 111 N GLU A 8 5.781 3.611 1.502 1.00 0.00 N ATOM 112 CA GLU A 8 4.800 3.181 2.487 1.00 0.00 C ATOM 113 C GLU A 8 3.868 2.158 1.849 1.00 0.00 C ATOM 114 O GLU A 8 3.597 1.100 2.409 1.00 0.00 O ATOM 115 CB GLU A 8 3.996 4.382 2.968 1.00 0.00 C ATOM 116 CG GLU A 8 4.822 5.432 3.686 1.00 0.00 C ATOM 117 CD GLU A 8 5.365 4.941 5.002 1.00 0.00 C ATOM 118 OE1 GLU A 8 6.531 4.532 5.071 1.00 0.00 O ATOM 119 OE2 GLU A 8 4.623 4.979 6.011 1.00 0.00 O ATOM 0 H GLU A 8 5.689 4.588 1.222 1.00 0.00 H new ATOM 0 HA GLU A 8 5.308 2.730 3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.506 4.844 2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.209 4.034 3.637 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.650 5.737 3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.209 6.317 3.857 1.00 0.00 H new ATOM 126 N TYR A 9 3.438 2.467 0.648 1.00 0.00 N ATOM 127 CA TYR A 9 2.559 1.623 -0.116 1.00 0.00 C ATOM 128 C TYR A 9 3.284 0.339 -0.543 1.00 0.00 C ATOM 129 O TYR A 9 2.733 -0.768 -0.463 1.00 0.00 O ATOM 130 CB TYR A 9 2.059 2.448 -1.315 1.00 0.00 C ATOM 131 CG TYR A 9 1.639 1.678 -2.530 1.00 0.00 C ATOM 132 CD1 TYR A 9 2.558 1.443 -3.525 1.00 0.00 C ATOM 133 CD2 TYR A 9 0.350 1.206 -2.695 1.00 0.00 C ATOM 134 CE1 TYR A 9 2.227 0.759 -4.662 1.00 0.00 C ATOM 135 CE2 TYR A 9 -0.003 0.511 -3.836 1.00 0.00 C ATOM 136 CZ TYR A 9 0.946 0.293 -4.821 1.00 0.00 C ATOM 137 OH TYR A 9 0.615 -0.403 -5.963 1.00 0.00 O ATOM 0 H TYR A 9 3.696 3.329 0.168 1.00 0.00 H new ATOM 0 HA TYR A 9 1.704 1.300 0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.213 3.051 -0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.850 3.140 -1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.567 1.808 -3.406 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.387 1.382 -1.926 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.968 0.587 -5.429 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.010 0.141 -3.959 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.328 -0.666 -5.924 1.00 0.00 H new ATOM 147 N GLU A 10 4.510 0.504 -0.968 1.00 0.00 N ATOM 148 CA GLU A 10 5.347 -0.579 -1.426 1.00 0.00 C ATOM 149 C GLU A 10 5.657 -1.547 -0.278 1.00 0.00 C ATOM 150 O GLU A 10 5.444 -2.758 -0.408 1.00 0.00 O ATOM 151 CB GLU A 10 6.623 0.003 -2.015 1.00 0.00 C ATOM 152 CG GLU A 10 7.497 -0.984 -2.737 1.00 0.00 C ATOM 153 CD GLU A 10 8.694 -0.321 -3.343 1.00 0.00 C ATOM 154 OE1 GLU A 10 8.546 0.392 -4.354 1.00 0.00 O ATOM 155 OE2 GLU A 10 9.823 -0.508 -2.827 1.00 0.00 O ATOM 0 H GLU A 10 4.966 1.415 -1.007 1.00 0.00 H new ATOM 0 HA GLU A 10 4.824 -1.148 -2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.355 0.802 -2.706 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.202 0.458 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.822 -1.759 -2.043 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.920 -1.478 -3.518 1.00 0.00 H new ATOM 162 N ALA A 11 6.100 -1.009 0.857 1.00 0.00 N ATOM 163 CA ALA A 11 6.433 -1.827 2.024 1.00 0.00 C ATOM 164 C ALA A 11 5.198 -2.516 2.566 1.00 0.00 C ATOM 165 O ALA A 11 5.281 -3.624 3.075 1.00 0.00 O ATOM 166 CB ALA A 11 7.096 -0.997 3.106 1.00 0.00 C ATOM 0 H ALA A 11 6.237 -0.008 0.994 1.00 0.00 H new ATOM 0 HA ALA A 11 7.142 -2.590 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.331 -1.633 3.960 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.015 -0.558 2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.420 -0.202 3.421 1.00 0.00 H new ATOM 172 N CYS A 12 4.057 -1.854 2.440 1.00 0.00 N ATOM 173 CA CYS A 12 2.769 -2.408 2.836 1.00 0.00 C ATOM 174 C CYS A 12 2.525 -3.733 2.096 1.00 0.00 C ATOM 175 O CYS A 12 2.135 -4.759 2.700 1.00 0.00 O ATOM 176 CB CYS A 12 1.660 -1.390 2.509 1.00 0.00 C ATOM 177 SG CYS A 12 -0.037 -1.902 2.941 1.00 0.00 S ATOM 0 H CYS A 12 3.998 -0.910 2.057 1.00 0.00 H new ATOM 0 HA CYS A 12 2.763 -2.607 3.908 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.882 -0.459 3.030 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.694 -1.174 1.441 1.00 0.00 H new ATOM 182 N ARG A 13 2.824 -3.720 0.811 1.00 0.00 N ATOM 183 CA ARG A 13 2.658 -4.871 -0.045 1.00 0.00 C ATOM 184 C ARG A 13 3.676 -5.952 0.287 1.00 0.00 C ATOM 185 O ARG A 13 3.315 -7.130 0.435 1.00 0.00 O ATOM 186 CB ARG A 13 2.764 -4.446 -1.503 1.00 0.00 C ATOM 187 CG ARG A 13 1.594 -3.601 -1.974 1.00 0.00 C ATOM 188 CD ARG A 13 1.806 -3.077 -3.383 1.00 0.00 C ATOM 189 NE ARG A 13 2.091 -4.147 -4.350 1.00 0.00 N ATOM 190 CZ ARG A 13 1.639 -4.180 -5.617 1.00 0.00 C ATOM 191 NH1 ARG A 13 0.674 -3.353 -6.010 1.00 0.00 N ATOM 192 NH2 ARG A 13 2.100 -5.091 -6.465 1.00 0.00 N ATOM 0 H ARG A 13 3.193 -2.899 0.330 1.00 0.00 H new ATOM 0 HA ARG A 13 1.668 -5.295 0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.687 -3.884 -1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.834 -5.336 -2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.681 -4.195 -1.941 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.454 -2.762 -1.292 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.917 -2.533 -3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.632 -2.365 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 13 2.675 -4.922 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.272 -2.688 -5.349 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.336 -3.384 -6.972 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.798 -5.768 -6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.756 -5.114 -7.425 1.00 0.00 H new ATOM 206 N VAL A 14 4.935 -5.548 0.440 1.00 0.00 N ATOM 207 CA VAL A 14 6.013 -6.478 0.786 1.00 0.00 C ATOM 208 C VAL A 14 5.722 -7.151 2.135 1.00 0.00 C ATOM 209 O VAL A 14 5.869 -8.365 2.276 1.00 0.00 O ATOM 210 CB VAL A 14 7.403 -5.773 0.824 1.00 0.00 C ATOM 211 CG1 VAL A 14 8.515 -6.758 1.184 1.00 0.00 C ATOM 212 CG2 VAL A 14 7.707 -5.113 -0.516 1.00 0.00 C ATOM 0 H VAL A 14 5.237 -4.580 0.330 1.00 0.00 H new ATOM 0 HA VAL A 14 6.052 -7.238 0.005 1.00 0.00 H new ATOM 0 HB VAL A 14 7.362 -5.005 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.472 -6.236 1.202 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.317 -7.187 2.166 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.550 -7.554 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.681 -4.626 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.717 -5.870 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.941 -4.370 -0.738 1.00 0.00 H new ATOM 222 N ARG A 15 5.245 -6.358 3.098 1.00 0.00 N ATOM 223 CA ARG A 15 4.877 -6.852 4.422 1.00 0.00 C ATOM 224 C ARG A 15 3.863 -7.984 4.317 1.00 0.00 C ATOM 225 O ARG A 15 3.998 -9.003 4.981 1.00 0.00 O ATOM 226 CB ARG A 15 4.325 -5.714 5.296 1.00 0.00 C ATOM 227 CG ARG A 15 3.859 -6.127 6.699 1.00 0.00 C ATOM 228 CD ARG A 15 4.974 -6.774 7.517 1.00 0.00 C ATOM 229 NE ARG A 15 6.125 -5.887 7.698 1.00 0.00 N ATOM 230 CZ ARG A 15 7.211 -6.179 8.427 1.00 0.00 C ATOM 231 NH1 ARG A 15 7.289 -7.333 9.100 1.00 0.00 N ATOM 232 NH2 ARG A 15 8.209 -5.309 8.492 1.00 0.00 N ATOM 0 H ARG A 15 5.104 -5.355 2.979 1.00 0.00 H new ATOM 0 HA ARG A 15 5.777 -7.243 4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.096 -4.951 5.398 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.487 -5.252 4.775 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.487 -5.250 7.228 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.025 -6.824 6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.584 -7.061 8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.299 -7.689 7.022 1.00 0.00 H new ATOM 0 HE ARG A 15 6.098 -4.979 7.234 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.518 -7.999 9.061 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.120 -7.546 9.652 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.147 -4.424 7.989 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.038 -5.525 9.045 1.00 0.00 H new ATOM 246 N CYS A 16 2.875 -7.823 3.469 1.00 0.00 N ATOM 247 CA CYS A 16 1.893 -8.873 3.295 1.00 0.00 C ATOM 248 C CYS A 16 2.444 -10.107 2.591 1.00 0.00 C ATOM 249 O CYS A 16 2.033 -11.224 2.896 1.00 0.00 O ATOM 250 CB CYS A 16 0.612 -8.374 2.662 1.00 0.00 C ATOM 251 SG CYS A 16 -0.426 -7.404 3.802 1.00 0.00 S ATOM 0 H CYS A 16 2.728 -6.992 2.897 1.00 0.00 H new ATOM 0 HA CYS A 16 1.637 -9.198 4.303 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.858 -7.761 1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.039 -9.227 2.297 1.00 0.00 H new ATOM 256 N GLN A 17 3.387 -9.925 1.696 1.00 0.00 N ATOM 257 CA GLN A 17 4.007 -11.058 1.023 1.00 0.00 C ATOM 258 C GLN A 17 4.839 -11.858 2.020 1.00 0.00 C ATOM 259 O GLN A 17 4.796 -13.086 2.049 1.00 0.00 O ATOM 260 CB GLN A 17 4.888 -10.589 -0.132 1.00 0.00 C ATOM 261 CG GLN A 17 4.136 -9.867 -1.231 1.00 0.00 C ATOM 262 CD GLN A 17 5.044 -9.412 -2.348 1.00 0.00 C ATOM 263 OE1 GLN A 17 6.075 -10.031 -2.624 1.00 0.00 O ATOM 264 NE2 GLN A 17 4.675 -8.346 -3.009 1.00 0.00 N ATOM 0 H GLN A 17 3.744 -9.012 1.414 1.00 0.00 H new ATOM 0 HA GLN A 17 3.219 -11.692 0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.660 -9.927 0.260 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.396 -11.453 -0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.369 -10.527 -1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.623 -9.003 -0.809 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.816 -7.859 -2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.246 -8.001 -3.781 1.00 0.00 H new ATOM 273 N VAL A 18 5.565 -11.145 2.853 1.00 0.00 N ATOM 274 CA VAL A 18 6.425 -11.754 3.849 1.00 0.00 C ATOM 275 C VAL A 18 5.623 -12.354 5.013 1.00 0.00 C ATOM 276 O VAL A 18 5.743 -13.543 5.305 1.00 0.00 O ATOM 277 CB VAL A 18 7.468 -10.732 4.399 1.00 0.00 C ATOM 278 CG1 VAL A 18 8.346 -11.358 5.477 1.00 0.00 C ATOM 279 CG2 VAL A 18 8.332 -10.194 3.270 1.00 0.00 C ATOM 0 H VAL A 18 5.577 -10.125 2.860 1.00 0.00 H new ATOM 0 HA VAL A 18 6.954 -12.564 3.347 1.00 0.00 H new ATOM 0 HB VAL A 18 6.916 -9.907 4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.061 -10.619 5.838 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.722 -11.694 6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.884 -12.209 5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.054 -9.483 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.862 -11.018 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.701 -9.695 2.535 1.00 0.00 H new ATOM 289 N ALA A 19 4.789 -11.545 5.632 1.00 0.00 N ATOM 290 CA ALA A 19 4.089 -11.941 6.846 1.00 0.00 C ATOM 291 C ALA A 19 2.799 -12.716 6.589 1.00 0.00 C ATOM 292 O ALA A 19 2.586 -13.780 7.174 1.00 0.00 O ATOM 293 CB ALA A 19 3.811 -10.723 7.714 1.00 0.00 C ATOM 0 H ALA A 19 4.575 -10.600 5.314 1.00 0.00 H new ATOM 0 HA ALA A 19 4.754 -12.628 7.370 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.287 -11.033 8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.753 -10.247 7.985 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.193 -10.016 7.161 1.00 0.00 H new ATOM 299 N GLU A 20 1.944 -12.204 5.720 1.00 0.00 N ATOM 300 CA GLU A 20 0.641 -12.828 5.509 1.00 0.00 C ATOM 301 C GLU A 20 0.792 -14.092 4.678 1.00 0.00 C ATOM 302 O GLU A 20 0.313 -15.158 5.072 1.00 0.00 O ATOM 303 CB GLU A 20 -0.340 -11.869 4.827 1.00 0.00 C ATOM 304 CG GLU A 20 -0.537 -10.531 5.530 1.00 0.00 C ATOM 305 CD GLU A 20 -1.015 -10.645 6.950 1.00 0.00 C ATOM 306 OE1 GLU A 20 -2.046 -11.270 7.194 1.00 0.00 O ATOM 307 OE2 GLU A 20 -0.389 -10.049 7.845 1.00 0.00 O ATOM 0 H GLU A 20 2.120 -11.372 5.156 1.00 0.00 H new ATOM 0 HA GLU A 20 0.235 -13.084 6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.009 -11.680 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.308 -12.363 4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.406 -9.985 5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.255 -9.938 4.963 1.00 0.00 H new ATOM 314 N HIS A 21 1.467 -13.937 3.539 1.00 0.00 N ATOM 315 CA HIS A 21 1.769 -15.005 2.580 1.00 0.00 C ATOM 316 C HIS A 21 0.498 -15.677 2.036 1.00 0.00 C ATOM 317 O HIS A 21 -0.151 -16.503 2.710 1.00 0.00 O ATOM 318 CB HIS A 21 2.749 -16.054 3.162 1.00 0.00 C ATOM 319 CG HIS A 21 3.281 -17.035 2.137 1.00 0.00 C ATOM 320 ND1 HIS A 21 4.576 -17.035 1.686 1.00 0.00 N ATOM 321 CD2 HIS A 21 2.663 -18.052 1.481 1.00 0.00 C ATOM 322 CE1 HIS A 21 4.708 -18.010 0.790 1.00 0.00 C ATOM 323 NE2 HIS A 21 3.574 -18.664 0.626 1.00 0.00 N ATOM 0 H HIS A 21 1.833 -13.031 3.246 1.00 0.00 H new ATOM 0 HA HIS A 21 2.267 -14.524 1.738 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.589 -15.535 3.623 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.244 -16.609 3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.629 -18.339 1.604 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.624 -18.236 0.265 1.00 0.00 H new ATOM 0 HE2 HIS A 21 3.401 -19.453 0.003 1.00 0.00 H new ATOM 331 N GLY A 22 0.155 -15.332 0.835 1.00 0.00 N ATOM 332 CA GLY A 22 -0.986 -15.902 0.203 1.00 0.00 C ATOM 333 C GLY A 22 -1.464 -15.043 -0.911 1.00 0.00 C ATOM 334 O GLY A 22 -1.386 -13.833 -0.803 1.00 0.00 O ATOM 0 H GLY A 22 0.658 -14.649 0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.738 -16.893 -0.178 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.784 -16.032 0.934 1.00 0.00 H new ATOM 338 N VAL A 23 -1.953 -15.652 -1.968 1.00 0.00 N ATOM 339 CA VAL A 23 -2.451 -14.929 -3.131 1.00 0.00 C ATOM 340 C VAL A 23 -3.664 -14.105 -2.737 1.00 0.00 C ATOM 341 O VAL A 23 -3.693 -12.894 -2.950 1.00 0.00 O ATOM 342 CB VAL A 23 -2.816 -15.898 -4.300 1.00 0.00 C ATOM 343 CG1 VAL A 23 -3.367 -15.140 -5.499 1.00 0.00 C ATOM 344 CG2 VAL A 23 -1.607 -16.716 -4.720 1.00 0.00 C ATOM 0 H VAL A 23 -2.019 -16.666 -2.052 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.658 -14.270 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.591 -16.571 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.611 -15.845 -6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.266 -14.599 -5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.619 -14.433 -5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.885 -17.384 -5.535 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.813 -16.047 -5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.254 -17.305 -3.873 1.00 0.00 H new ATOM 354 N GLU A 24 -4.633 -14.761 -2.118 1.00 0.00 N ATOM 355 CA GLU A 24 -5.851 -14.112 -1.663 1.00 0.00 C ATOM 356 C GLU A 24 -5.520 -13.009 -0.656 1.00 0.00 C ATOM 357 O GLU A 24 -6.073 -11.908 -0.703 1.00 0.00 O ATOM 358 CB GLU A 24 -6.838 -15.118 -1.018 1.00 0.00 C ATOM 359 CG GLU A 24 -7.333 -16.266 -1.918 1.00 0.00 C ATOM 360 CD GLU A 24 -6.317 -17.377 -2.153 1.00 0.00 C ATOM 361 OE1 GLU A 24 -6.384 -18.429 -1.474 1.00 0.00 O ATOM 362 OE2 GLU A 24 -5.457 -17.241 -3.033 1.00 0.00 O ATOM 0 H GLU A 24 -4.596 -15.760 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.332 -13.680 -2.540 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.358 -15.554 -0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.707 -14.564 -0.663 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.228 -16.700 -1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.627 -15.852 -2.882 1.00 0.00 H new ATOM 369 N ARG A 25 -4.599 -13.313 0.236 1.00 0.00 N ATOM 370 CA ARG A 25 -4.171 -12.381 1.276 1.00 0.00 C ATOM 371 C ARG A 25 -3.458 -11.168 0.679 1.00 0.00 C ATOM 372 O ARG A 25 -3.707 -10.028 1.072 1.00 0.00 O ATOM 373 CB ARG A 25 -3.264 -13.099 2.275 1.00 0.00 C ATOM 374 CG ARG A 25 -3.953 -14.246 2.994 1.00 0.00 C ATOM 375 CD ARG A 25 -3.004 -14.990 3.910 1.00 0.00 C ATOM 376 NE ARG A 25 -3.659 -16.138 4.549 1.00 0.00 N ATOM 377 CZ ARG A 25 -3.173 -16.822 5.590 1.00 0.00 C ATOM 378 NH1 ARG A 25 -1.994 -16.515 6.106 1.00 0.00 N ATOM 379 NH2 ARG A 25 -3.867 -17.834 6.091 1.00 0.00 N ATOM 0 H ARG A 25 -4.121 -14.214 0.266 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.058 -12.018 1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.388 -13.481 1.751 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.906 -12.380 3.012 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.790 -13.859 3.575 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.367 -14.938 2.260 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.141 -15.334 3.339 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.630 -14.311 4.676 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.557 -16.438 4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.447 -15.751 5.710 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.632 -17.043 6.900 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.767 -18.087 5.682 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.501 -18.360 6.885 1.00 0.00 H new ATOM 393 N GLN A 26 -2.611 -11.418 -0.290 1.00 0.00 N ATOM 394 CA GLN A 26 -1.836 -10.385 -0.950 1.00 0.00 C ATOM 395 C GLN A 26 -2.745 -9.508 -1.805 1.00 0.00 C ATOM 396 O GLN A 26 -2.594 -8.284 -1.829 1.00 0.00 O ATOM 397 CB GLN A 26 -0.754 -11.045 -1.791 1.00 0.00 C ATOM 398 CG GLN A 26 0.225 -10.119 -2.463 1.00 0.00 C ATOM 399 CD GLN A 26 1.320 -10.903 -3.148 1.00 0.00 C ATOM 400 OE1 GLN A 26 1.680 -12.001 -2.711 1.00 0.00 O ATOM 401 NE2 GLN A 26 1.843 -10.382 -4.208 1.00 0.00 N ATOM 0 H GLN A 26 -2.435 -12.356 -0.650 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.364 -9.741 -0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.195 -11.730 -1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.238 -11.648 -2.559 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.296 -9.499 -3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.661 -9.445 -1.725 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.522 -9.473 -4.541 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.577 -10.880 -4.712 1.00 0.00 H new ATOM 410 N ARG A 27 -3.702 -10.139 -2.469 1.00 0.00 N ATOM 411 CA ARG A 27 -4.689 -9.451 -3.291 1.00 0.00 C ATOM 412 C ARG A 27 -5.535 -8.524 -2.419 1.00 0.00 C ATOM 413 O ARG A 27 -5.883 -7.406 -2.821 1.00 0.00 O ATOM 414 CB ARG A 27 -5.570 -10.479 -3.994 1.00 0.00 C ATOM 415 CG ARG A 27 -6.621 -9.897 -4.918 1.00 0.00 C ATOM 416 CD ARG A 27 -7.395 -11.003 -5.597 1.00 0.00 C ATOM 417 NE ARG A 27 -6.519 -11.854 -6.411 1.00 0.00 N ATOM 418 CZ ARG A 27 -6.689 -13.164 -6.634 1.00 0.00 C ATOM 419 NH1 ARG A 27 -7.724 -13.812 -6.108 1.00 0.00 N ATOM 420 NH2 ARG A 27 -5.817 -13.820 -7.396 1.00 0.00 N ATOM 0 H ARG A 27 -3.817 -11.152 -2.453 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.182 -8.848 -4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.932 -11.149 -4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.068 -11.086 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.302 -9.263 -4.351 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.146 -9.264 -5.667 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.897 -11.611 -4.845 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.172 -10.570 -6.228 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.710 -11.409 -6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.398 -13.312 -5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.844 -14.809 -6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.025 -13.325 -7.806 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.941 -14.817 -7.570 1.00 0.00 H new ATOM 434 N ARG A 28 -5.852 -8.995 -1.228 1.00 0.00 N ATOM 435 CA ARG A 28 -6.573 -8.207 -0.251 1.00 0.00 C ATOM 436 C ARG A 28 -5.709 -7.029 0.196 1.00 0.00 C ATOM 437 O ARG A 28 -6.136 -5.879 0.123 1.00 0.00 O ATOM 438 CB ARG A 28 -6.966 -9.086 0.953 1.00 0.00 C ATOM 439 CG ARG A 28 -7.633 -8.345 2.109 1.00 0.00 C ATOM 440 CD ARG A 28 -8.943 -7.691 1.698 1.00 0.00 C ATOM 441 NE ARG A 28 -9.543 -6.934 2.807 1.00 0.00 N ATOM 442 CZ ARG A 28 -10.506 -6.006 2.668 1.00 0.00 C ATOM 443 NH1 ARG A 28 -11.014 -5.740 1.468 1.00 0.00 N ATOM 444 NH2 ARG A 28 -10.963 -5.357 3.734 1.00 0.00 N ATOM 0 H ARG A 28 -5.616 -9.936 -0.912 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.487 -7.819 -0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.641 -9.868 0.606 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.071 -9.581 1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.819 -9.043 2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.953 -7.583 2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.768 -7.024 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.642 -8.456 1.359 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.204 -7.127 3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.673 -6.241 0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.744 -5.035 1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.583 -5.563 4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.694 -4.653 3.628 1.00 0.00 H new ATOM 458 N CYS A 29 -4.486 -7.324 0.606 1.00 0.00 N ATOM 459 CA CYS A 29 -3.556 -6.312 1.067 1.00 0.00 C ATOM 460 C CYS A 29 -3.285 -5.230 0.041 1.00 0.00 C ATOM 461 O CYS A 29 -3.307 -4.063 0.380 1.00 0.00 O ATOM 462 CB CYS A 29 -2.248 -6.922 1.513 1.00 0.00 C ATOM 463 SG CYS A 29 -2.292 -7.768 3.111 1.00 0.00 S ATOM 0 H CYS A 29 -4.112 -8.273 0.628 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.047 -5.840 1.918 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.920 -7.632 0.754 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.496 -6.134 1.559 1.00 0.00 H new ATOM 468 N GLN A 30 -3.063 -5.607 -1.215 1.00 0.00 N ATOM 469 CA GLN A 30 -2.734 -4.626 -2.245 1.00 0.00 C ATOM 470 C GLN A 30 -3.872 -3.609 -2.426 1.00 0.00 C ATOM 471 O GLN A 30 -3.625 -2.427 -2.689 1.00 0.00 O ATOM 472 CB GLN A 30 -2.357 -5.302 -3.573 1.00 0.00 C ATOM 473 CG GLN A 30 -3.496 -5.995 -4.282 1.00 0.00 C ATOM 474 CD GLN A 30 -3.052 -6.687 -5.536 1.00 0.00 C ATOM 475 OE1 GLN A 30 -2.690 -7.855 -5.513 1.00 0.00 O ATOM 476 NE2 GLN A 30 -3.045 -5.975 -6.624 1.00 0.00 N ATOM 0 H GLN A 30 -3.104 -6.572 -1.542 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.855 -4.077 -1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.938 -4.549 -4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.570 -6.032 -3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.950 -6.723 -3.610 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.266 -5.264 -4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.355 -5.004 -6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.729 -6.388 -7.502 1.00 0.00 H new ATOM 485 N GLN A 31 -5.103 -4.066 -2.209 1.00 0.00 N ATOM 486 CA GLN A 31 -6.276 -3.217 -2.300 1.00 0.00 C ATOM 487 C GLN A 31 -6.295 -2.248 -1.114 1.00 0.00 C ATOM 488 O GLN A 31 -6.612 -1.057 -1.258 1.00 0.00 O ATOM 489 CB GLN A 31 -7.536 -4.083 -2.307 1.00 0.00 C ATOM 490 CG GLN A 31 -8.833 -3.305 -2.382 1.00 0.00 C ATOM 491 CD GLN A 31 -10.047 -4.194 -2.350 1.00 0.00 C ATOM 492 OE1 GLN A 31 -10.570 -4.512 -1.276 1.00 0.00 O ATOM 493 NE2 GLN A 31 -10.519 -4.586 -3.504 1.00 0.00 N ATOM 0 H GLN A 31 -5.310 -5.035 -1.966 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.245 -2.641 -3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.487 -4.766 -3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.546 -4.695 -1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.880 -2.603 -1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.845 -2.714 -3.298 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.057 -4.301 -4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.349 -5.177 -3.541 1.00 0.00 H new ATOM 502 N VAL A 32 -5.922 -2.763 0.044 1.00 0.00 N ATOM 503 CA VAL A 32 -5.852 -1.981 1.267 1.00 0.00 C ATOM 504 C VAL A 32 -4.736 -0.936 1.161 1.00 0.00 C ATOM 505 O VAL A 32 -4.953 0.246 1.434 1.00 0.00 O ATOM 506 CB VAL A 32 -5.597 -2.888 2.507 1.00 0.00 C ATOM 507 CG1 VAL A 32 -5.533 -2.067 3.785 1.00 0.00 C ATOM 508 CG2 VAL A 32 -6.668 -3.960 2.623 1.00 0.00 C ATOM 0 H VAL A 32 -5.658 -3.741 0.164 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.812 -1.482 1.397 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.632 -3.375 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.354 -2.728 4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.722 -1.343 3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.477 -1.541 3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.468 -4.581 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.645 -3.488 2.729 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.660 -4.581 1.727 1.00 0.00 H new ATOM 518 N CYS A 33 -3.565 -1.379 0.728 1.00 0.00 N ATOM 519 CA CYS A 33 -2.399 -0.515 0.590 1.00 0.00 C ATOM 520 C CYS A 33 -2.671 0.620 -0.395 1.00 0.00 C ATOM 521 O CYS A 33 -2.292 1.756 -0.148 1.00 0.00 O ATOM 522 CB CYS A 33 -1.167 -1.324 0.148 1.00 0.00 C ATOM 523 SG CYS A 33 -0.746 -2.739 1.235 1.00 0.00 S ATOM 0 H CYS A 33 -3.395 -2.349 0.462 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.192 -0.077 1.567 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.338 -1.698 -0.861 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.309 -0.654 0.098 1.00 0.00 H new ATOM 528 N GLU A 34 -3.376 0.310 -1.482 1.00 0.00 N ATOM 529 CA GLU A 34 -3.722 1.303 -2.494 1.00 0.00 C ATOM 530 C GLU A 34 -4.695 2.332 -1.895 1.00 0.00 C ATOM 531 O GLU A 34 -4.569 3.553 -2.113 1.00 0.00 O ATOM 532 CB GLU A 34 -4.384 0.603 -3.688 1.00 0.00 C ATOM 533 CG GLU A 34 -4.637 1.494 -4.892 1.00 0.00 C ATOM 534 CD GLU A 34 -3.366 1.893 -5.609 1.00 0.00 C ATOM 535 OE1 GLU A 34 -2.987 1.208 -6.580 1.00 0.00 O ATOM 536 OE2 GLU A 34 -2.736 2.908 -5.246 1.00 0.00 O ATOM 0 H GLU A 34 -3.720 -0.629 -1.684 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.818 1.814 -2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.753 -0.230 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.334 0.180 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.294 0.975 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.162 2.392 -4.568 1.00 0.00 H new ATOM 543 N LYS A 35 -5.644 1.828 -1.105 1.00 0.00 N ATOM 544 CA LYS A 35 -6.669 2.658 -0.490 1.00 0.00 C ATOM 545 C LYS A 35 -6.046 3.621 0.508 1.00 0.00 C ATOM 546 O LYS A 35 -6.281 4.823 0.442 1.00 0.00 O ATOM 547 CB LYS A 35 -7.713 1.788 0.219 1.00 0.00 C ATOM 548 CG LYS A 35 -8.961 2.542 0.678 1.00 0.00 C ATOM 549 CD LYS A 35 -9.945 1.617 1.387 1.00 0.00 C ATOM 550 CE LYS A 35 -9.492 1.249 2.796 1.00 0.00 C ATOM 551 NZ LYS A 35 -9.588 2.398 3.729 1.00 0.00 N ATOM 0 H LYS A 35 -5.720 0.837 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.159 3.229 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.016 0.985 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.248 1.319 1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.672 3.351 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.447 3.001 -0.183 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.921 2.100 1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.070 0.707 0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.102 0.427 3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.462 0.893 2.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.639 2.048 4.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.749 3.004 3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.443 2.949 3.514 1.00 0.00 H new ATOM 565 N ARG A 36 -5.211 3.091 1.394 1.00 0.00 N ATOM 566 CA ARG A 36 -4.589 3.899 2.447 1.00 0.00 C ATOM 567 C ARG A 36 -3.644 4.925 1.854 1.00 0.00 C ATOM 568 O ARG A 36 -3.523 6.047 2.361 1.00 0.00 O ATOM 569 CB ARG A 36 -3.871 3.024 3.484 1.00 0.00 C ATOM 570 CG ARG A 36 -4.780 1.986 4.112 1.00 0.00 C ATOM 571 CD ARG A 36 -4.200 1.370 5.377 1.00 0.00 C ATOM 572 NE ARG A 36 -2.955 0.618 5.164 1.00 0.00 N ATOM 573 CZ ARG A 36 -2.622 -0.498 5.840 1.00 0.00 C ATOM 574 NH1 ARG A 36 -3.513 -1.101 6.640 1.00 0.00 N ATOM 575 NH2 ARG A 36 -1.419 -1.025 5.698 1.00 0.00 N ATOM 0 H ARG A 36 -4.946 2.106 1.408 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.387 4.430 2.966 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.029 2.522 3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.460 3.661 4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.740 2.447 4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.975 1.196 3.387 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.013 2.163 6.101 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.943 0.705 5.817 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.302 0.963 4.460 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.452 -0.715 6.740 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.252 -1.946 7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.740 -0.587 5.075 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.169 -1.870 6.211 1.00 0.00 H new ATOM 589 N LEU A 37 -3.010 4.548 0.760 1.00 0.00 N ATOM 590 CA LEU A 37 -2.119 5.423 0.031 1.00 0.00 C ATOM 591 C LEU A 37 -2.932 6.601 -0.538 1.00 0.00 C ATOM 592 O LEU A 37 -2.528 7.766 -0.415 1.00 0.00 O ATOM 593 CB LEU A 37 -1.404 4.589 -1.079 1.00 0.00 C ATOM 594 CG LEU A 37 -0.275 5.232 -1.922 1.00 0.00 C ATOM 595 CD1 LEU A 37 -0.801 6.213 -2.942 1.00 0.00 C ATOM 596 CD2 LEU A 37 0.760 5.890 -1.026 1.00 0.00 C ATOM 0 H LEU A 37 -3.101 3.618 0.351 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.349 5.843 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.987 3.702 -0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.172 4.246 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 37 0.204 4.425 -2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.032 6.634 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.478 5.700 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.337 7.014 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.543 6.335 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.283 6.667 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.198 5.142 -0.366 1.00 0.00 H new ATOM 608 N ARG A 38 -4.103 6.287 -1.089 1.00 0.00 N ATOM 609 CA ARG A 38 -4.985 7.288 -1.690 1.00 0.00 C ATOM 610 C ARG A 38 -5.563 8.211 -0.618 1.00 0.00 C ATOM 611 O ARG A 38 -5.692 9.427 -0.830 1.00 0.00 O ATOM 612 CB ARG A 38 -6.131 6.614 -2.423 1.00 0.00 C ATOM 613 CG ARG A 38 -7.001 7.571 -3.216 1.00 0.00 C ATOM 614 CD ARG A 38 -8.236 6.873 -3.709 1.00 0.00 C ATOM 615 NE ARG A 38 -9.094 6.464 -2.591 1.00 0.00 N ATOM 616 CZ ARG A 38 -9.887 5.392 -2.581 1.00 0.00 C ATOM 617 NH1 ARG A 38 -9.942 4.585 -3.638 1.00 0.00 N ATOM 618 NH2 ARG A 38 -10.636 5.133 -1.513 1.00 0.00 N ATOM 0 H ARG A 38 -4.467 5.335 -1.132 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.393 7.873 -2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.724 5.862 -3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.753 6.088 -1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.280 8.420 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.439 7.968 -4.061 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.791 7.535 -4.374 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.954 5.998 -4.294 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.083 7.047 -1.754 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.375 4.785 -4.462 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.551 3.767 -3.624 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -10.603 5.754 -0.704 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.244 4.314 -1.503 1.00 0.00 H new ATOM 632 N GLU A 39 -5.920 7.631 0.524 1.00 0.00 N ATOM 633 CA GLU A 39 -6.451 8.395 1.651 1.00 0.00 C ATOM 634 C GLU A 39 -5.428 9.415 2.119 1.00 0.00 C ATOM 635 O GLU A 39 -5.765 10.553 2.446 1.00 0.00 O ATOM 636 CB GLU A 39 -6.830 7.475 2.812 1.00 0.00 C ATOM 637 CG GLU A 39 -7.981 6.532 2.520 1.00 0.00 C ATOM 638 CD GLU A 39 -8.332 5.687 3.716 1.00 0.00 C ATOM 639 OE1 GLU A 39 -7.967 4.501 3.759 1.00 0.00 O ATOM 640 OE2 GLU A 39 -8.970 6.208 4.658 1.00 0.00 O ATOM 0 H GLU A 39 -5.851 6.628 0.695 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.350 8.911 1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.957 6.886 3.091 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.090 8.088 3.675 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.854 7.109 2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.717 5.885 1.683 1.00 0.00 H new ATOM 647 N ARG A 40 -4.180 9.003 2.112 1.00 0.00 N ATOM 648 CA ARG A 40 -3.068 9.846 2.492 1.00 0.00 C ATOM 649 C ARG A 40 -2.919 11.015 1.494 1.00 0.00 C ATOM 650 O ARG A 40 -2.578 12.136 1.877 1.00 0.00 O ATOM 651 CB ARG A 40 -1.805 8.994 2.557 1.00 0.00 C ATOM 652 CG ARG A 40 -0.575 9.695 3.082 1.00 0.00 C ATOM 653 CD ARG A 40 0.590 8.727 3.146 1.00 0.00 C ATOM 654 NE ARG A 40 1.782 9.328 3.740 1.00 0.00 N ATOM 655 CZ ARG A 40 2.627 8.692 4.558 1.00 0.00 C ATOM 656 NH1 ARG A 40 2.434 7.404 4.862 1.00 0.00 N ATOM 657 NH2 ARG A 40 3.667 9.342 5.065 1.00 0.00 N ATOM 0 H ARG A 40 -3.905 8.060 1.838 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.245 10.282 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.004 8.127 3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.589 8.619 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.323 10.537 2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.774 10.102 4.073 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.300 7.852 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.825 8.379 2.140 1.00 0.00 H new ATOM 0 HE ARG A 40 1.984 10.302 3.515 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.638 6.901 4.469 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.082 6.925 5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.819 10.323 4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.314 8.861 5.689 1.00 0.00 H new ATOM 671 N GLU A 41 -3.239 10.753 0.225 1.00 0.00 N ATOM 672 CA GLU A 41 -3.198 11.785 -0.826 1.00 0.00 C ATOM 673 C GLU A 41 -4.314 12.802 -0.616 1.00 0.00 C ATOM 674 O GLU A 41 -4.232 13.935 -1.082 1.00 0.00 O ATOM 675 CB GLU A 41 -3.345 11.165 -2.208 1.00 0.00 C ATOM 676 CG GLU A 41 -2.330 10.104 -2.501 1.00 0.00 C ATOM 677 CD GLU A 41 -2.467 9.527 -3.871 1.00 0.00 C ATOM 678 OE1 GLU A 41 -3.453 8.840 -4.154 1.00 0.00 O ATOM 679 OE2 GLU A 41 -1.558 9.722 -4.699 1.00 0.00 O ATOM 0 H GLU A 41 -3.531 9.833 -0.105 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.230 12.283 -0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.343 10.736 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.265 11.950 -2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.331 10.524 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.425 9.305 -1.765 1.00 0.00 H new ATOM 686 N GLY A 42 -5.362 12.376 0.055 1.00 0.00 N ATOM 687 CA GLY A 42 -6.448 13.271 0.385 1.00 0.00 C ATOM 688 C GLY A 42 -6.132 14.059 1.635 1.00 0.00 C ATOM 689 O GLY A 42 -6.670 15.139 1.863 1.00 0.00 O ATOM 0 H GLY A 42 -5.485 11.418 0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.628 13.954 -0.445 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.365 12.700 0.532 1.00 0.00 H new ATOM 693 N ARG A 43 -5.254 13.507 2.444 1.00 0.00 N ATOM 694 CA ARG A 43 -4.821 14.136 3.672 1.00 0.00 C ATOM 695 C ARG A 43 -3.798 15.228 3.384 1.00 0.00 C ATOM 696 O ARG A 43 -3.885 16.332 3.924 1.00 0.00 O ATOM 697 CB ARG A 43 -4.224 13.097 4.628 1.00 0.00 C ATOM 698 CG ARG A 43 -3.641 13.691 5.900 1.00 0.00 C ATOM 699 CD ARG A 43 -3.009 12.629 6.767 1.00 0.00 C ATOM 700 NE ARG A 43 -2.319 13.203 7.918 1.00 0.00 N ATOM 701 CZ ARG A 43 -1.627 12.507 8.820 1.00 0.00 C ATOM 702 NH1 ARG A 43 -1.584 11.174 8.754 1.00 0.00 N ATOM 703 NH2 ARG A 43 -0.982 13.147 9.788 1.00 0.00 N ATOM 0 H ARG A 43 -4.818 12.602 2.266 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.692 14.589 4.146 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.998 12.378 4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.443 12.544 4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.896 14.444 5.643 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.427 14.199 6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.778 11.938 7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.303 12.049 6.173 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.370 14.214 8.042 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.082 10.684 8.011 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.053 10.646 9.447 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.018 14.165 9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.451 12.621 10.481 1.00 0.00 H new ATOM 717 N ARG A 44 -2.830 14.925 2.554 1.00 0.00 N ATOM 718 CA ARG A 44 -1.813 15.893 2.234 1.00 0.00 C ATOM 719 C ARG A 44 -2.226 16.698 1.021 1.00 0.00 C ATOM 720 O ARG A 44 -2.748 16.151 0.052 1.00 0.00 O ATOM 721 CB ARG A 44 -0.443 15.236 2.005 1.00 0.00 C ATOM 722 CG ARG A 44 0.673 16.257 1.836 1.00 0.00 C ATOM 723 CD ARG A 44 2.024 15.624 1.593 1.00 0.00 C ATOM 724 NE ARG A 44 3.076 16.651 1.513 1.00 0.00 N ATOM 725 CZ ARG A 44 4.378 16.418 1.289 1.00 0.00 C ATOM 726 NH1 ARG A 44 4.806 15.188 1.012 1.00 0.00 N ATOM 727 NH2 ARG A 44 5.243 17.425 1.321 1.00 0.00 N ATOM 0 H ARG A 44 -2.726 14.022 2.091 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.710 16.560 3.090 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.211 14.585 2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.490 14.604 1.118 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.432 16.915 1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.726 16.880 2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.253 14.925 2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.000 15.049 0.667 1.00 0.00 H new ATOM 0 HE ARG A 44 2.791 17.622 1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.142 14.415 0.969 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.798 15.019 0.843 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.917 18.372 1.515 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.234 17.252 1.151 1.00 0.00 H new ATOM 741 N GLU A 45 -2.023 17.985 1.092 1.00 0.00 N ATOM 742 CA GLU A 45 -2.336 18.882 0.006 1.00 0.00 C ATOM 743 C GLU A 45 -1.182 18.918 -0.997 1.00 0.00 C ATOM 744 O GLU A 45 -0.105 18.358 -0.736 1.00 0.00 O ATOM 745 CB GLU A 45 -2.605 20.279 0.551 1.00 0.00 C ATOM 746 CG GLU A 45 -3.813 20.365 1.465 1.00 0.00 C ATOM 747 CD GLU A 45 -5.082 19.976 0.760 1.00 0.00 C ATOM 748 OE1 GLU A 45 -5.616 20.793 -0.022 1.00 0.00 O ATOM 749 OE2 GLU A 45 -5.585 18.869 0.970 1.00 0.00 O ATOM 0 H GLU A 45 -1.632 18.448 1.912 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.230 18.524 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.725 20.620 1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.746 20.963 -0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.663 19.714 2.326 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.907 21.382 1.846 1.00 0.00 H new ATOM 756 N VAL A 46 -1.399 19.539 -2.135 1.00 0.00 N ATOM 757 CA VAL A 46 -0.356 19.664 -3.144 1.00 0.00 C ATOM 758 C VAL A 46 0.273 21.050 -3.105 1.00 0.00 C ATOM 759 O VAL A 46 -0.388 22.043 -2.749 1.00 0.00 O ATOM 760 CB VAL A 46 -0.837 19.329 -4.590 1.00 0.00 C ATOM 761 CG1 VAL A 46 -1.193 17.858 -4.712 1.00 0.00 C ATOM 762 CG2 VAL A 46 -2.024 20.192 -4.998 1.00 0.00 C ATOM 0 H VAL A 46 -2.288 19.968 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 46 0.394 18.916 -2.888 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.011 19.548 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.526 17.647 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.317 17.251 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.993 17.618 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.332 19.931 -6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.852 20.020 -4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.738 21.243 -4.965 1.00 0.00 H new ATOM 772 N ASP A 47 1.528 21.113 -3.457 1.00 0.00 N ATOM 773 CA ASP A 47 2.291 22.338 -3.426 1.00 0.00 C ATOM 774 C ASP A 47 2.841 22.599 -4.799 1.00 0.00 C ATOM 775 O ASP A 47 3.925 22.067 -5.135 1.00 0.00 O ATOM 776 CB ASP A 47 3.452 22.248 -2.421 1.00 0.00 C ATOM 777 CG ASP A 47 3.018 22.027 -0.995 1.00 0.00 C ATOM 778 OD1 ASP A 47 2.966 20.863 -0.543 1.00 0.00 O ATOM 779 OD2 ASP A 47 2.749 23.019 -0.278 1.00 0.00 O ATOM 780 OXT ASP A 47 2.188 23.299 -5.587 1.00 0.00 O ATOM 0 H ASP A 47 2.060 20.305 -3.779 1.00 0.00 H new ATOM 0 HA ASP A 47 1.635 23.150 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.113 21.434 -2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.035 23.167 -2.473 1.00 0.00 H new TER 785 ASP A 47