USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=5 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 Set 1.1: A 17 GLN : amide:sc= -0.503 K(o=-1.8,f=-4.7!) USER MOD Set 1.2: A 26 GLN : amide:sc= -1.33 K(o=-1.8,f=-4) USER MOD Set 2.1: A 4 SER OG : rot 180:sc= 1.07 USER MOD Set 2.2: A 7 THR OG1 : rot -118:sc= 1.24 USER MOD Single : A 9 TYR OH : rot 151:sc= 0.902 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 30 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 31 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.28) USER MOD Single : A 35 LYS NZ :NH3+ -164:sc= -0.0818 (180deg=-0.358) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 6.185 17.243 3.966 1.00 0.00 N ATOM 2 CA PRO A 1 7.024 16.067 3.907 1.00 0.00 C ATOM 3 C PRO A 1 6.823 15.410 2.567 1.00 0.00 C ATOM 4 O PRO A 1 5.744 15.520 1.990 1.00 0.00 O ATOM 5 CB PRO A 1 6.624 15.127 5.026 1.00 0.00 C ATOM 6 CG PRO A 1 5.400 15.759 5.606 1.00 0.00 C ATOM 7 CD PRO A 1 5.441 17.228 5.220 1.00 0.00 C ATOM 0 H2 PRO A 1 5.542 17.258 3.174 1.00 0.00 H new ATOM 0 H3 PRO A 1 6.755 18.087 3.904 1.00 0.00 H new ATOM 0 HA PRO A 1 8.075 16.329 4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.417 14.125 4.651 1.00 0.00 H new ATOM 0 HB3 PRO A 1 7.415 15.032 5.770 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.499 15.283 5.220 1.00 0.00 H new ATOM 0 HG3 PRO A 1 5.382 15.644 6.690 1.00 0.00 H new ATOM 0 HD2 PRO A 1 4.438 17.636 5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 1 5.935 17.828 5.984 1.00 0.00 H new ATOM 17 N ARG A 2 7.834 14.745 2.072 1.00 0.00 N ATOM 18 CA ARG A 2 7.765 14.123 0.781 1.00 0.00 C ATOM 19 C ARG A 2 8.424 12.754 0.777 1.00 0.00 C ATOM 20 O ARG A 2 9.065 12.357 1.763 1.00 0.00 O ATOM 21 CB ARG A 2 8.305 15.073 -0.334 1.00 0.00 C ATOM 22 CG ARG A 2 9.668 15.751 -0.080 1.00 0.00 C ATOM 23 CD ARG A 2 10.830 14.774 -0.081 1.00 0.00 C ATOM 24 NE ARG A 2 10.913 14.042 -1.347 1.00 0.00 N ATOM 25 CZ ARG A 2 11.724 13.017 -1.593 1.00 0.00 C ATOM 26 NH1 ARG A 2 12.622 12.640 -0.696 1.00 0.00 N ATOM 27 NH2 ARG A 2 11.638 12.387 -2.752 1.00 0.00 N ATOM 0 H ARG A 2 8.725 14.621 2.553 1.00 0.00 H new ATOM 0 HA ARG A 2 6.715 13.944 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.379 14.501 -1.259 1.00 0.00 H new ATOM 0 HB3 ARG A 2 7.564 15.855 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.838 16.509 -0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.637 16.268 0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.761 15.314 0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.715 14.069 0.742 1.00 0.00 H new ATOM 0 HE ARG A 2 10.298 14.343 -2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.696 13.137 0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.240 11.853 -0.893 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.955 12.688 -3.447 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.255 11.600 -2.951 1.00 0.00 H new ATOM 41 N GLY A 3 8.253 12.049 -0.304 1.00 0.00 N ATOM 42 CA GLY A 3 8.793 10.731 -0.471 1.00 0.00 C ATOM 43 C GLY A 3 8.083 10.078 -1.611 1.00 0.00 C ATOM 44 O GLY A 3 7.088 10.632 -2.092 1.00 0.00 O ATOM 0 H GLY A 3 7.724 12.381 -1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.864 10.781 -0.668 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.664 10.149 0.441 1.00 0.00 H new ATOM 48 N SER A 4 8.550 8.953 -2.065 1.00 0.00 N ATOM 49 CA SER A 4 7.919 8.289 -3.172 1.00 0.00 C ATOM 50 C SER A 4 6.748 7.418 -2.700 1.00 0.00 C ATOM 51 O SER A 4 6.936 6.478 -1.927 1.00 0.00 O ATOM 52 CB SER A 4 8.956 7.493 -3.976 1.00 0.00 C ATOM 53 OG SER A 4 9.811 6.740 -3.124 1.00 0.00 O ATOM 0 H SER A 4 9.367 8.473 -1.687 1.00 0.00 H new ATOM 0 HA SER A 4 7.496 9.040 -3.839 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.445 6.821 -4.666 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.553 8.177 -4.580 1.00 0.00 H new ATOM 0 HG SER A 4 10.459 6.243 -3.667 1.00 0.00 H new ATOM 59 N PRO A 5 5.512 7.736 -3.140 1.00 0.00 N ATOM 60 CA PRO A 5 4.314 6.979 -2.755 1.00 0.00 C ATOM 61 C PRO A 5 4.444 5.511 -3.119 1.00 0.00 C ATOM 62 O PRO A 5 4.127 4.625 -2.316 1.00 0.00 O ATOM 63 CB PRO A 5 3.200 7.612 -3.591 1.00 0.00 C ATOM 64 CG PRO A 5 3.688 8.969 -3.917 1.00 0.00 C ATOM 65 CD PRO A 5 5.180 8.872 -4.025 1.00 0.00 C ATOM 0 HA PRO A 5 4.136 7.018 -1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.008 7.034 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.264 7.653 -3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.254 9.323 -4.852 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.401 9.681 -3.143 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.498 8.689 -5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 5 5.667 9.791 -3.700 1.00 0.00 H new ATOM 73 N ARG A 6 4.952 5.272 -4.316 1.00 0.00 N ATOM 74 CA ARG A 6 5.115 3.921 -4.853 1.00 0.00 C ATOM 75 C ARG A 6 5.905 2.993 -3.922 1.00 0.00 C ATOM 76 O ARG A 6 5.514 1.858 -3.725 1.00 0.00 O ATOM 77 CB ARG A 6 5.740 3.929 -6.260 1.00 0.00 C ATOM 78 CG ARG A 6 7.142 4.516 -6.345 1.00 0.00 C ATOM 79 CD ARG A 6 7.697 4.454 -7.763 1.00 0.00 C ATOM 80 NE ARG A 6 6.911 5.252 -8.718 1.00 0.00 N ATOM 81 CZ ARG A 6 7.421 6.168 -9.563 1.00 0.00 C ATOM 82 NH1 ARG A 6 8.709 6.506 -9.497 1.00 0.00 N ATOM 83 NH2 ARG A 6 6.635 6.759 -10.455 1.00 0.00 N ATOM 0 H ARG A 6 5.266 6.008 -4.949 1.00 0.00 H new ATOM 0 HA ARG A 6 4.105 3.517 -4.928 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.769 2.905 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.087 4.492 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 6 7.123 5.552 -6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.805 3.973 -5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.727 4.809 -7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.719 3.416 -8.095 1.00 0.00 H new ATOM 0 HE ARG A 6 5.903 5.099 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.316 6.070 -8.803 1.00 0.00 H new ATOM 0 HH12 ARG A 6 9.088 7.201 -10.141 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.645 6.519 -10.500 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.022 7.453 -11.095 1.00 0.00 H new ATOM 97 N THR A 7 6.959 3.493 -3.302 1.00 0.00 N ATOM 98 CA THR A 7 7.802 2.654 -2.472 1.00 0.00 C ATOM 99 C THR A 7 7.137 2.347 -1.130 1.00 0.00 C ATOM 100 O THR A 7 7.276 1.233 -0.599 1.00 0.00 O ATOM 101 CB THR A 7 9.180 3.286 -2.258 1.00 0.00 C ATOM 102 OG1 THR A 7 9.008 4.610 -1.764 1.00 0.00 O ATOM 103 CG2 THR A 7 9.963 3.329 -3.559 1.00 0.00 C ATOM 0 H THR A 7 7.250 4.469 -3.357 1.00 0.00 H new ATOM 0 HA THR A 7 7.940 1.712 -3.003 1.00 0.00 H new ATOM 0 HB THR A 7 9.738 2.684 -1.541 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.384 5.249 -2.404 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.938 3.782 -3.382 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.097 2.315 -3.937 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.416 3.920 -4.293 1.00 0.00 H new ATOM 111 N GLU A 8 6.407 3.319 -0.597 1.00 0.00 N ATOM 112 CA GLU A 8 5.666 3.151 0.651 1.00 0.00 C ATOM 113 C GLU A 8 4.564 2.119 0.434 1.00 0.00 C ATOM 114 O GLU A 8 4.380 1.185 1.231 1.00 0.00 O ATOM 115 CB GLU A 8 5.037 4.481 1.074 1.00 0.00 C ATOM 116 CG GLU A 8 6.027 5.614 1.293 1.00 0.00 C ATOM 117 CD GLU A 8 6.982 5.362 2.436 1.00 0.00 C ATOM 118 OE1 GLU A 8 8.152 5.002 2.194 1.00 0.00 O ATOM 119 OE2 GLU A 8 6.588 5.547 3.608 1.00 0.00 O ATOM 0 H GLU A 8 6.311 4.244 -1.015 1.00 0.00 H new ATOM 0 HA GLU A 8 6.347 2.817 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.320 4.786 0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.476 4.325 1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.599 5.769 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.477 6.535 1.485 1.00 0.00 H new ATOM 126 N TYR A 9 3.875 2.277 -0.685 1.00 0.00 N ATOM 127 CA TYR A 9 2.808 1.423 -1.107 1.00 0.00 C ATOM 128 C TYR A 9 3.323 0.004 -1.333 1.00 0.00 C ATOM 129 O TYR A 9 2.720 -0.974 -0.862 1.00 0.00 O ATOM 130 CB TYR A 9 2.215 2.040 -2.380 1.00 0.00 C ATOM 131 CG TYR A 9 1.440 1.119 -3.255 1.00 0.00 C ATOM 132 CD1 TYR A 9 0.103 0.867 -3.045 1.00 0.00 C ATOM 133 CD2 TYR A 9 2.071 0.503 -4.310 1.00 0.00 C ATOM 134 CE1 TYR A 9 -0.590 0.008 -3.869 1.00 0.00 C ATOM 135 CE2 TYR A 9 1.402 -0.353 -5.143 1.00 0.00 C ATOM 136 CZ TYR A 9 0.066 -0.600 -4.920 1.00 0.00 C ATOM 137 OH TYR A 9 -0.608 -1.476 -5.738 1.00 0.00 O ATOM 0 H TYR A 9 4.061 3.037 -1.340 1.00 0.00 H new ATOM 0 HA TYR A 9 2.032 1.345 -0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.565 2.866 -2.090 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.029 2.466 -2.966 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -0.408 1.348 -2.225 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.118 0.699 -4.486 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.638 -0.188 -3.694 1.00 0.00 H new ATOM 0 HE2 TYR A 9 1.916 -0.829 -5.965 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.210 -1.459 -6.634 1.00 0.00 H new ATOM 147 N GLU A 10 4.439 -0.089 -2.040 1.00 0.00 N ATOM 148 CA GLU A 10 5.104 -1.345 -2.320 1.00 0.00 C ATOM 149 C GLU A 10 5.452 -2.058 -1.015 1.00 0.00 C ATOM 150 O GLU A 10 5.160 -3.229 -0.854 1.00 0.00 O ATOM 151 CB GLU A 10 6.374 -1.076 -3.121 1.00 0.00 C ATOM 152 CG GLU A 10 7.169 -2.304 -3.493 1.00 0.00 C ATOM 153 CD GLU A 10 8.484 -1.941 -4.117 1.00 0.00 C ATOM 154 OE1 GLU A 10 8.630 -2.050 -5.347 1.00 0.00 O ATOM 155 OE2 GLU A 10 9.400 -1.510 -3.389 1.00 0.00 O ATOM 0 H GLU A 10 4.913 0.721 -2.440 1.00 0.00 H new ATOM 0 HA GLU A 10 4.438 -1.984 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.103 -0.547 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.014 -0.409 -2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.342 -2.909 -2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.592 -2.915 -4.187 1.00 0.00 H new ATOM 162 N ALA A 11 6.014 -1.310 -0.067 1.00 0.00 N ATOM 163 CA ALA A 11 6.439 -1.852 1.223 1.00 0.00 C ATOM 164 C ALA A 11 5.271 -2.466 1.982 1.00 0.00 C ATOM 165 O ALA A 11 5.420 -3.500 2.636 1.00 0.00 O ATOM 166 CB ALA A 11 7.104 -0.773 2.059 1.00 0.00 C ATOM 0 H ALA A 11 6.188 -0.310 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 11 7.163 -2.643 1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.414 -1.193 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.977 -0.390 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.399 0.040 2.232 1.00 0.00 H new ATOM 172 N CYS A 12 4.115 -1.848 1.873 1.00 0.00 N ATOM 173 CA CYS A 12 2.921 -2.342 2.535 1.00 0.00 C ATOM 174 C CYS A 12 2.504 -3.688 1.911 1.00 0.00 C ATOM 175 O CYS A 12 2.104 -4.632 2.618 1.00 0.00 O ATOM 176 CB CYS A 12 1.795 -1.304 2.431 1.00 0.00 C ATOM 177 SG CYS A 12 0.265 -1.734 3.325 1.00 0.00 S ATOM 0 H CYS A 12 3.974 -0.997 1.329 1.00 0.00 H new ATOM 0 HA CYS A 12 3.128 -2.505 3.593 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.164 -0.351 2.810 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.554 -1.156 1.378 1.00 0.00 H new ATOM 182 N ARG A 13 2.649 -3.790 0.590 1.00 0.00 N ATOM 183 CA ARG A 13 2.345 -5.025 -0.113 1.00 0.00 C ATOM 184 C ARG A 13 3.357 -6.094 0.253 1.00 0.00 C ATOM 185 O ARG A 13 2.982 -7.208 0.588 1.00 0.00 O ATOM 186 CB ARG A 13 2.306 -4.819 -1.632 1.00 0.00 C ATOM 187 CG ARG A 13 1.169 -3.931 -2.111 1.00 0.00 C ATOM 188 CD ARG A 13 1.202 -3.732 -3.621 1.00 0.00 C ATOM 189 NE ARG A 13 1.097 -4.996 -4.374 1.00 0.00 N ATOM 190 CZ ARG A 13 0.687 -5.100 -5.657 1.00 0.00 C ATOM 191 NH1 ARG A 13 0.225 -4.036 -6.316 1.00 0.00 N ATOM 192 NH2 ARG A 13 0.708 -6.280 -6.262 1.00 0.00 N ATOM 0 H ARG A 13 2.975 -3.031 -0.009 1.00 0.00 H new ATOM 0 HA ARG A 13 1.352 -5.351 0.197 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.252 -4.383 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.222 -5.791 -2.117 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.216 -4.375 -1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.231 -2.962 -1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.384 -3.073 -3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.129 -3.229 -3.895 1.00 0.00 H new ATOM 0 HE ARG A 13 1.353 -5.856 -3.890 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.178 -3.129 -5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.081 -4.129 -7.284 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.033 -7.105 -5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.399 -6.362 -7.231 1.00 0.00 H new ATOM 206 N VAL A 14 4.642 -5.720 0.234 1.00 0.00 N ATOM 207 CA VAL A 14 5.747 -6.623 0.589 1.00 0.00 C ATOM 208 C VAL A 14 5.564 -7.165 2.012 1.00 0.00 C ATOM 209 O VAL A 14 5.829 -8.340 2.278 1.00 0.00 O ATOM 210 CB VAL A 14 7.136 -5.925 0.449 1.00 0.00 C ATOM 211 CG1 VAL A 14 8.258 -6.863 0.848 1.00 0.00 C ATOM 212 CG2 VAL A 14 7.360 -5.446 -0.976 1.00 0.00 C ATOM 0 H VAL A 14 4.947 -4.782 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 14 5.724 -7.456 -0.113 1.00 0.00 H new ATOM 0 HB VAL A 14 7.139 -5.065 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.215 -6.352 0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.124 -7.170 1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.243 -7.743 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.334 -4.963 -1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.325 -6.297 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.581 -4.734 -1.247 1.00 0.00 H new ATOM 222 N ARG A 15 5.065 -6.305 2.903 1.00 0.00 N ATOM 223 CA ARG A 15 4.745 -6.681 4.279 1.00 0.00 C ATOM 224 C ARG A 15 3.803 -7.882 4.253 1.00 0.00 C ATOM 225 O ARG A 15 4.087 -8.935 4.831 1.00 0.00 O ATOM 226 CB ARG A 15 4.051 -5.512 4.993 1.00 0.00 C ATOM 227 CG ARG A 15 3.706 -5.779 6.449 1.00 0.00 C ATOM 228 CD ARG A 15 2.735 -4.735 6.988 1.00 0.00 C ATOM 229 NE ARG A 15 3.300 -3.374 7.018 1.00 0.00 N ATOM 230 CZ ARG A 15 2.607 -2.237 6.799 1.00 0.00 C ATOM 231 NH1 ARG A 15 1.327 -2.275 6.448 1.00 0.00 N ATOM 232 NH2 ARG A 15 3.207 -1.062 6.922 1.00 0.00 N ATOM 0 H ARG A 15 4.872 -5.327 2.689 1.00 0.00 H new ATOM 0 HA ARG A 15 5.663 -6.931 4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.697 -4.636 4.941 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.136 -5.266 4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.266 -6.772 6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.617 -5.775 7.048 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.835 -4.734 6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.432 -5.017 7.996 1.00 0.00 H new ATOM 0 HE ARG A 15 4.296 -3.284 7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.854 -3.172 6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.817 -1.407 6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.192 -1.017 7.182 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.684 -0.202 6.757 1.00 0.00 H new ATOM 246 N CYS A 16 2.721 -7.738 3.512 1.00 0.00 N ATOM 247 CA CYS A 16 1.747 -8.801 3.377 1.00 0.00 C ATOM 248 C CYS A 16 2.289 -9.995 2.608 1.00 0.00 C ATOM 249 O CYS A 16 1.879 -11.105 2.851 1.00 0.00 O ATOM 250 CB CYS A 16 0.459 -8.302 2.750 1.00 0.00 C ATOM 251 SG CYS A 16 -0.486 -7.160 3.797 1.00 0.00 S ATOM 0 H CYS A 16 2.495 -6.890 2.992 1.00 0.00 H new ATOM 0 HA CYS A 16 1.526 -9.141 4.389 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.695 -7.804 1.810 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.169 -9.159 2.507 1.00 0.00 H new ATOM 256 N GLN A 17 3.225 -9.772 1.707 1.00 0.00 N ATOM 257 CA GLN A 17 3.816 -10.862 0.936 1.00 0.00 C ATOM 258 C GLN A 17 4.643 -11.790 1.822 1.00 0.00 C ATOM 259 O GLN A 17 4.818 -12.961 1.510 1.00 0.00 O ATOM 260 CB GLN A 17 4.667 -10.334 -0.216 1.00 0.00 C ATOM 261 CG GLN A 17 3.883 -9.570 -1.266 1.00 0.00 C ATOM 262 CD GLN A 17 4.754 -9.074 -2.394 1.00 0.00 C ATOM 263 OE1 GLN A 17 5.296 -7.971 -2.342 1.00 0.00 O ATOM 264 NE2 GLN A 17 4.901 -9.868 -3.414 1.00 0.00 N ATOM 0 H GLN A 17 3.597 -8.848 1.486 1.00 0.00 H new ATOM 0 HA GLN A 17 2.991 -11.437 0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.442 -9.683 0.188 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.172 -11.173 -0.694 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.102 -10.214 -1.671 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.385 -8.722 -0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.437 -10.776 -3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.480 -9.582 -4.203 1.00 0.00 H new ATOM 273 N VAL A 18 5.144 -11.274 2.917 1.00 0.00 N ATOM 274 CA VAL A 18 5.926 -12.084 3.826 1.00 0.00 C ATOM 275 C VAL A 18 5.081 -12.530 5.026 1.00 0.00 C ATOM 276 O VAL A 18 5.057 -13.723 5.380 1.00 0.00 O ATOM 277 CB VAL A 18 7.194 -11.333 4.310 1.00 0.00 C ATOM 278 CG1 VAL A 18 8.048 -12.213 5.216 1.00 0.00 C ATOM 279 CG2 VAL A 18 8.010 -10.854 3.125 1.00 0.00 C ATOM 0 H VAL A 18 5.027 -10.302 3.202 1.00 0.00 H new ATOM 0 HA VAL A 18 6.248 -12.969 3.278 1.00 0.00 H new ATOM 0 HB VAL A 18 6.868 -10.469 4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.929 -11.657 5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.466 -12.509 6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.360 -13.103 4.670 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.896 -10.329 3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.313 -11.710 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.408 -10.178 2.518 1.00 0.00 H new ATOM 289 N ALA A 19 4.380 -11.585 5.639 1.00 0.00 N ATOM 290 CA ALA A 19 3.570 -11.868 6.813 1.00 0.00 C ATOM 291 C ALA A 19 2.365 -12.728 6.472 1.00 0.00 C ATOM 292 O ALA A 19 2.166 -13.787 7.062 1.00 0.00 O ATOM 293 CB ALA A 19 3.133 -10.586 7.483 1.00 0.00 C ATOM 0 H ALA A 19 4.357 -10.610 5.339 1.00 0.00 H new ATOM 0 HA ALA A 19 4.191 -12.432 7.509 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.528 -10.821 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.011 -10.018 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.544 -9.993 6.784 1.00 0.00 H new ATOM 299 N GLU A 20 1.566 -12.281 5.532 1.00 0.00 N ATOM 300 CA GLU A 20 0.401 -13.040 5.121 1.00 0.00 C ATOM 301 C GLU A 20 0.861 -14.153 4.186 1.00 0.00 C ATOM 302 O GLU A 20 0.551 -15.323 4.393 1.00 0.00 O ATOM 303 CB GLU A 20 -0.626 -12.144 4.400 1.00 0.00 C ATOM 304 CG GLU A 20 -1.071 -10.903 5.172 1.00 0.00 C ATOM 305 CD GLU A 20 -1.708 -11.208 6.506 1.00 0.00 C ATOM 306 OE1 GLU A 20 -2.861 -11.690 6.546 1.00 0.00 O ATOM 307 OE2 GLU A 20 -1.090 -10.934 7.553 1.00 0.00 O ATOM 0 H GLU A 20 1.698 -11.399 5.037 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.085 -13.455 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.200 -11.826 3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.507 -12.743 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.207 -10.258 5.332 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.779 -10.342 4.562 1.00 0.00 H new ATOM 314 N HIS A 21 1.621 -13.753 3.164 1.00 0.00 N ATOM 315 CA HIS A 21 2.242 -14.620 2.136 1.00 0.00 C ATOM 316 C HIS A 21 1.225 -15.213 1.150 1.00 0.00 C ATOM 317 O HIS A 21 1.495 -15.275 -0.059 1.00 0.00 O ATOM 318 CB HIS A 21 3.163 -15.701 2.752 1.00 0.00 C ATOM 319 CG HIS A 21 3.851 -16.593 1.745 1.00 0.00 C ATOM 320 ND1 HIS A 21 3.441 -17.871 1.448 1.00 0.00 N ATOM 321 CD2 HIS A 21 4.943 -16.364 0.974 1.00 0.00 C ATOM 322 CE1 HIS A 21 4.265 -18.374 0.531 1.00 0.00 C ATOM 323 NE2 HIS A 21 5.205 -17.498 0.203 1.00 0.00 N ATOM 0 H HIS A 21 1.836 -12.767 3.015 1.00 0.00 H new ATOM 0 HA HIS A 21 2.881 -13.964 1.545 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.922 -15.209 3.359 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.571 -16.323 3.424 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.518 -15.450 0.959 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.179 -19.365 0.110 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.960 -17.626 -0.471 1.00 0.00 H new ATOM 331 N GLY A 22 0.090 -15.650 1.660 1.00 0.00 N ATOM 332 CA GLY A 22 -0.959 -16.196 0.832 1.00 0.00 C ATOM 333 C GLY A 22 -1.438 -15.212 -0.215 1.00 0.00 C ATOM 334 O GLY A 22 -1.667 -14.031 0.090 1.00 0.00 O ATOM 0 H GLY A 22 -0.127 -15.635 2.657 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.597 -17.099 0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.799 -16.491 1.461 1.00 0.00 H new ATOM 338 N VAL A 23 -1.580 -15.698 -1.436 1.00 0.00 N ATOM 339 CA VAL A 23 -1.976 -14.900 -2.600 1.00 0.00 C ATOM 340 C VAL A 23 -3.282 -14.136 -2.367 1.00 0.00 C ATOM 341 O VAL A 23 -3.381 -12.955 -2.723 1.00 0.00 O ATOM 342 CB VAL A 23 -2.094 -15.790 -3.869 1.00 0.00 C ATOM 343 CG1 VAL A 23 -2.554 -14.992 -5.077 1.00 0.00 C ATOM 344 CG2 VAL A 23 -0.765 -16.443 -4.166 1.00 0.00 C ATOM 0 H VAL A 23 -1.421 -16.681 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.189 -14.162 -2.755 1.00 0.00 H new ATOM 0 HB VAL A 23 -2.844 -16.555 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.624 -15.650 -5.943 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.532 -14.555 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.837 -14.197 -5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.856 -17.065 -5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.012 -15.674 -4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.467 -17.062 -3.320 1.00 0.00 H new ATOM 354 N GLU A 24 -4.255 -14.793 -1.747 1.00 0.00 N ATOM 355 CA GLU A 24 -5.546 -14.170 -1.457 1.00 0.00 C ATOM 356 C GLU A 24 -5.371 -12.910 -0.609 1.00 0.00 C ATOM 357 O GLU A 24 -5.862 -11.825 -0.964 1.00 0.00 O ATOM 358 CB GLU A 24 -6.485 -15.143 -0.749 1.00 0.00 C ATOM 359 CG GLU A 24 -6.884 -16.348 -1.576 1.00 0.00 C ATOM 360 CD GLU A 24 -7.811 -17.268 -0.831 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.411 -18.396 -0.497 1.00 0.00 O ATOM 362 OE2 GLU A 24 -8.973 -16.871 -0.552 1.00 0.00 O ATOM 0 H GLU A 24 -4.176 -15.760 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.991 -13.891 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.005 -15.490 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.387 -14.607 -0.453 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.368 -16.013 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.989 -16.897 -1.870 1.00 0.00 H new ATOM 369 N ARG A 25 -4.625 -13.043 0.469 1.00 0.00 N ATOM 370 CA ARG A 25 -4.377 -11.938 1.368 1.00 0.00 C ATOM 371 C ARG A 25 -3.412 -10.924 0.767 1.00 0.00 C ATOM 372 O ARG A 25 -3.474 -9.742 1.087 1.00 0.00 O ATOM 373 CB ARG A 25 -3.928 -12.430 2.736 1.00 0.00 C ATOM 374 CG ARG A 25 -5.054 -13.088 3.524 1.00 0.00 C ATOM 375 CD ARG A 25 -4.578 -13.640 4.852 1.00 0.00 C ATOM 376 NE ARG A 25 -3.684 -14.803 4.709 1.00 0.00 N ATOM 377 CZ ARG A 25 -2.803 -15.204 5.639 1.00 0.00 C ATOM 378 NH1 ARG A 25 -2.455 -14.391 6.631 1.00 0.00 N ATOM 379 NH2 ARG A 25 -2.216 -16.378 5.533 1.00 0.00 N ATOM 0 H ARG A 25 -4.176 -13.917 0.744 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.321 -11.412 1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.113 -13.143 2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.533 -11.590 3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.846 -12.360 3.698 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.486 -13.894 2.932 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.057 -12.854 5.399 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.443 -13.926 5.451 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.739 -15.340 3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.858 -13.456 6.689 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.785 -14.702 7.334 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.430 -16.986 4.742 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.547 -16.680 6.241 1.00 0.00 H new ATOM 393 N GLN A 26 -2.549 -11.382 -0.119 1.00 0.00 N ATOM 394 CA GLN A 26 -1.656 -10.495 -0.846 1.00 0.00 C ATOM 395 C GLN A 26 -2.481 -9.550 -1.720 1.00 0.00 C ATOM 396 O GLN A 26 -2.309 -8.330 -1.672 1.00 0.00 O ATOM 397 CB GLN A 26 -0.709 -11.292 -1.729 1.00 0.00 C ATOM 398 CG GLN A 26 0.229 -10.420 -2.544 1.00 0.00 C ATOM 399 CD GLN A 26 1.049 -11.194 -3.544 1.00 0.00 C ATOM 400 OE1 GLN A 26 2.170 -10.814 -3.855 1.00 0.00 O ATOM 401 NE2 GLN A 26 0.490 -12.232 -4.100 1.00 0.00 N ATOM 0 H GLN A 26 -2.446 -12.369 -0.355 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.069 -9.925 -0.126 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.119 -11.963 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.293 -11.916 -2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.355 -9.665 -3.071 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.900 -9.890 -1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.446 -12.520 -3.816 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.989 -12.756 -4.819 1.00 0.00 H new ATOM 410 N ARG A 27 -3.401 -10.131 -2.486 1.00 0.00 N ATOM 411 CA ARG A 27 -4.279 -9.362 -3.362 1.00 0.00 C ATOM 412 C ARG A 27 -5.171 -8.452 -2.533 1.00 0.00 C ATOM 413 O ARG A 27 -5.473 -7.326 -2.929 1.00 0.00 O ATOM 414 CB ARG A 27 -5.127 -10.288 -4.237 1.00 0.00 C ATOM 415 CG ARG A 27 -6.046 -9.544 -5.190 1.00 0.00 C ATOM 416 CD ARG A 27 -6.857 -10.487 -6.042 1.00 0.00 C ATOM 417 NE ARG A 27 -7.705 -9.753 -6.982 1.00 0.00 N ATOM 418 CZ ARG A 27 -8.504 -10.305 -7.896 1.00 0.00 C ATOM 419 NH1 ARG A 27 -8.640 -11.619 -7.977 1.00 0.00 N ATOM 420 NH2 ARG A 27 -9.178 -9.535 -8.715 1.00 0.00 N ATOM 0 H ARG A 27 -3.558 -11.138 -2.517 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.661 -8.751 -4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.467 -10.936 -4.813 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.727 -10.933 -3.595 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.717 -8.902 -4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.453 -8.894 -5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.189 -11.150 -6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.477 -11.116 -5.404 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.683 -8.734 -6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.130 -12.225 -7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.255 -12.026 -8.682 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.089 -8.521 -8.651 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.791 -9.950 -9.417 1.00 0.00 H new ATOM 434 N ARG A 28 -5.550 -8.939 -1.368 1.00 0.00 N ATOM 435 CA ARG A 28 -6.344 -8.176 -0.432 1.00 0.00 C ATOM 436 C ARG A 28 -5.564 -6.933 -0.029 1.00 0.00 C ATOM 437 O ARG A 28 -6.053 -5.804 -0.136 1.00 0.00 O ATOM 438 CB ARG A 28 -6.621 -9.019 0.799 1.00 0.00 C ATOM 439 CG ARG A 28 -7.574 -8.388 1.774 1.00 0.00 C ATOM 440 CD ARG A 28 -7.736 -9.241 2.997 1.00 0.00 C ATOM 441 NE ARG A 28 -8.759 -8.709 3.888 1.00 0.00 N ATOM 442 CZ ARG A 28 -8.851 -8.990 5.183 1.00 0.00 C ATOM 443 NH1 ARG A 28 -7.899 -9.693 5.787 1.00 0.00 N ATOM 444 NH2 ARG A 28 -9.871 -8.537 5.877 1.00 0.00 N ATOM 0 H ARG A 28 -5.314 -9.877 -1.045 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.289 -7.889 -0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.025 -9.981 0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.678 -9.220 1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.207 -7.402 2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.543 -8.242 1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.002 -10.256 2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.786 -9.302 3.528 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.453 -8.077 3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.092 -10.020 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.975 -9.906 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.588 -7.972 5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.946 -8.750 6.872 1.00 0.00 H new ATOM 458 N CYS A 29 -4.323 -7.151 0.381 1.00 0.00 N ATOM 459 CA CYS A 29 -3.442 -6.085 0.780 1.00 0.00 C ATOM 460 C CYS A 29 -3.136 -5.130 -0.340 1.00 0.00 C ATOM 461 O CYS A 29 -2.847 -3.982 -0.079 1.00 0.00 O ATOM 462 CB CYS A 29 -2.160 -6.613 1.384 1.00 0.00 C ATOM 463 SG CYS A 29 -2.353 -7.314 3.045 1.00 0.00 S ATOM 0 H CYS A 29 -3.906 -8.080 0.443 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.981 -5.527 1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.749 -7.378 0.725 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.431 -5.804 1.426 1.00 0.00 H new ATOM 468 N GLN A 30 -3.213 -5.592 -1.585 1.00 0.00 N ATOM 469 CA GLN A 30 -3.002 -4.717 -2.729 1.00 0.00 C ATOM 470 C GLN A 30 -3.973 -3.549 -2.656 1.00 0.00 C ATOM 471 O GLN A 30 -3.568 -2.401 -2.738 1.00 0.00 O ATOM 472 CB GLN A 30 -3.178 -5.465 -4.060 1.00 0.00 C ATOM 473 CG GLN A 30 -3.006 -4.573 -5.291 1.00 0.00 C ATOM 474 CD GLN A 30 -3.263 -5.288 -6.609 1.00 0.00 C ATOM 475 OE1 GLN A 30 -2.983 -6.564 -6.669 1.00 0.00 O flip ATOM 476 NE2 GLN A 30 -3.705 -4.678 -7.581 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.419 -6.562 -1.824 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.976 -4.352 -2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.455 -6.279 -4.108 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -4.170 -5.917 -4.085 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.685 -3.724 -5.211 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.993 -4.171 -5.298 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.915 -3.683 -7.506 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.862 -5.167 -8.462 1.00 0.00 H new ATOM 485 N GLN A 31 -5.234 -3.855 -2.414 1.00 0.00 N ATOM 486 CA GLN A 31 -6.243 -2.828 -2.344 1.00 0.00 C ATOM 487 C GLN A 31 -6.213 -2.107 -1.003 1.00 0.00 C ATOM 488 O GLN A 31 -6.385 -0.894 -0.952 1.00 0.00 O ATOM 489 CB GLN A 31 -7.634 -3.385 -2.659 1.00 0.00 C ATOM 490 CG GLN A 31 -8.745 -2.327 -2.688 1.00 0.00 C ATOM 491 CD GLN A 31 -8.448 -1.164 -3.634 1.00 0.00 C ATOM 492 OE1 GLN A 31 -8.890 -0.031 -3.407 1.00 0.00 O ATOM 493 NE2 GLN A 31 -7.726 -1.424 -4.695 1.00 0.00 N ATOM 0 H GLN A 31 -5.578 -4.804 -2.264 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.012 -2.089 -3.111 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.601 -3.887 -3.626 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.887 -4.141 -1.915 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.680 -2.800 -2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.893 -1.938 -1.681 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.376 -2.369 -4.855 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.514 -0.682 -5.362 1.00 0.00 H new ATOM 502 N VAL A 32 -5.970 -2.845 0.076 1.00 0.00 N ATOM 503 CA VAL A 32 -5.881 -2.235 1.411 1.00 0.00 C ATOM 504 C VAL A 32 -4.755 -1.199 1.438 1.00 0.00 C ATOM 505 O VAL A 32 -4.960 -0.045 1.818 1.00 0.00 O ATOM 506 CB VAL A 32 -5.651 -3.295 2.536 1.00 0.00 C ATOM 507 CG1 VAL A 32 -5.498 -2.629 3.904 1.00 0.00 C ATOM 508 CG2 VAL A 32 -6.795 -4.300 2.573 1.00 0.00 C ATOM 0 H VAL A 32 -5.832 -3.855 0.060 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.837 -1.751 1.609 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.725 -3.822 2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.339 -3.393 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.644 -1.952 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.402 -2.066 4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.614 -5.028 3.363 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.732 -3.778 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.859 -4.814 1.614 1.00 0.00 H new ATOM 518 N CYS A 33 -3.595 -1.596 0.969 1.00 0.00 N ATOM 519 CA CYS A 33 -2.444 -0.726 0.932 1.00 0.00 C ATOM 520 C CYS A 33 -2.614 0.373 -0.097 1.00 0.00 C ATOM 521 O CYS A 33 -2.083 1.469 0.080 1.00 0.00 O ATOM 522 CB CYS A 33 -1.171 -1.519 0.676 1.00 0.00 C ATOM 523 SG CYS A 33 -0.817 -2.764 1.962 1.00 0.00 S ATOM 0 H CYS A 33 -3.423 -2.532 0.602 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.357 -0.252 1.910 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.252 -2.019 -0.289 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.330 -0.829 0.609 1.00 0.00 H new ATOM 528 N GLU A 34 -3.371 0.095 -1.159 1.00 0.00 N ATOM 529 CA GLU A 34 -3.646 1.095 -2.170 1.00 0.00 C ATOM 530 C GLU A 34 -4.533 2.165 -1.574 1.00 0.00 C ATOM 531 O GLU A 34 -4.265 3.342 -1.721 1.00 0.00 O ATOM 532 CB GLU A 34 -4.312 0.483 -3.404 1.00 0.00 C ATOM 533 CG GLU A 34 -4.513 1.463 -4.542 1.00 0.00 C ATOM 534 CD GLU A 34 -5.141 0.829 -5.748 1.00 0.00 C ATOM 535 OE1 GLU A 34 -4.407 0.400 -6.659 1.00 0.00 O ATOM 536 OE2 GLU A 34 -6.381 0.767 -5.830 1.00 0.00 O ATOM 0 H GLU A 34 -3.800 -0.814 -1.334 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.701 1.530 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.704 -0.350 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.280 0.072 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.141 2.286 -4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.550 1.891 -4.821 1.00 0.00 H new ATOM 543 N LYS A 35 -5.557 1.741 -0.855 1.00 0.00 N ATOM 544 CA LYS A 35 -6.470 2.656 -0.206 1.00 0.00 C ATOM 545 C LYS A 35 -5.734 3.474 0.848 1.00 0.00 C ATOM 546 O LYS A 35 -5.938 4.675 0.961 1.00 0.00 O ATOM 547 CB LYS A 35 -7.655 1.905 0.401 1.00 0.00 C ATOM 548 CG LYS A 35 -8.689 2.814 1.053 1.00 0.00 C ATOM 549 CD LYS A 35 -9.916 2.045 1.520 1.00 0.00 C ATOM 550 CE LYS A 35 -10.690 1.459 0.346 1.00 0.00 C ATOM 551 NZ LYS A 35 -11.103 2.504 -0.619 1.00 0.00 N ATOM 0 H LYS A 35 -5.776 0.756 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.866 3.342 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.140 1.319 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.284 1.200 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.237 3.325 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.993 3.584 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.610 1.243 2.192 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.566 2.708 2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.073 0.719 -0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.573 0.938 0.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.842 2.125 -1.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.475 3.326 -0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.282 2.795 -1.188 1.00 0.00 H new ATOM 565 N ARG A 36 -4.845 2.820 1.590 1.00 0.00 N ATOM 566 CA ARG A 36 -4.003 3.508 2.574 1.00 0.00 C ATOM 567 C ARG A 36 -3.139 4.559 1.883 1.00 0.00 C ATOM 568 O ARG A 36 -2.912 5.649 2.419 1.00 0.00 O ATOM 569 CB ARG A 36 -3.094 2.526 3.326 1.00 0.00 C ATOM 570 CG ARG A 36 -3.804 1.556 4.262 1.00 0.00 C ATOM 571 CD ARG A 36 -4.533 2.283 5.379 1.00 0.00 C ATOM 572 NE ARG A 36 -3.631 3.132 6.172 1.00 0.00 N ATOM 573 CZ ARG A 36 -3.991 3.841 7.247 1.00 0.00 C ATOM 574 NH1 ARG A 36 -5.242 3.790 7.689 1.00 0.00 N ATOM 575 NH2 ARG A 36 -3.094 4.597 7.874 1.00 0.00 N ATOM 0 H ARG A 36 -4.686 1.814 1.531 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.667 3.986 3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.529 1.949 2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.371 3.100 3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.515 0.957 3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.077 0.866 4.691 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.326 2.897 4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.011 1.554 6.033 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.655 3.184 5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.929 3.210 7.208 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.516 4.331 8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.133 4.635 7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.367 5.138 8.694 1.00 0.00 H new ATOM 589 N LEU A 37 -2.681 4.230 0.690 1.00 0.00 N ATOM 590 CA LEU A 37 -1.865 5.120 -0.099 1.00 0.00 C ATOM 591 C LEU A 37 -2.728 6.284 -0.594 1.00 0.00 C ATOM 592 O LEU A 37 -2.309 7.427 -0.530 1.00 0.00 O ATOM 593 CB LEU A 37 -1.206 4.325 -1.268 1.00 0.00 C ATOM 594 CG LEU A 37 -0.063 4.989 -2.084 1.00 0.00 C ATOM 595 CD1 LEU A 37 -0.550 6.114 -2.974 1.00 0.00 C ATOM 596 CD2 LEU A 37 1.043 5.473 -1.157 1.00 0.00 C ATOM 0 H LEU A 37 -2.868 3.333 0.243 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.058 5.539 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.817 3.395 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.996 4.056 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 37 0.338 4.222 -2.747 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.294 6.538 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.282 5.726 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.013 6.888 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.835 5.935 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.637 6.204 -0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.450 4.627 -0.603 1.00 0.00 H new ATOM 608 N ARG A 38 -3.949 5.982 -1.037 1.00 0.00 N ATOM 609 CA ARG A 38 -4.888 7.002 -1.527 1.00 0.00 C ATOM 610 C ARG A 38 -5.234 8.002 -0.438 1.00 0.00 C ATOM 611 O ARG A 38 -5.397 9.196 -0.699 1.00 0.00 O ATOM 612 CB ARG A 38 -6.174 6.382 -2.067 1.00 0.00 C ATOM 613 CG ARG A 38 -5.984 5.435 -3.233 1.00 0.00 C ATOM 614 CD ARG A 38 -5.239 6.085 -4.384 1.00 0.00 C ATOM 615 NE ARG A 38 -5.108 5.166 -5.508 1.00 0.00 N ATOM 616 CZ ARG A 38 -4.188 5.243 -6.477 1.00 0.00 C ATOM 617 NH1 ARG A 38 -3.244 6.190 -6.452 1.00 0.00 N ATOM 618 NH2 ARG A 38 -4.204 4.354 -7.468 1.00 0.00 N ATOM 0 H ARG A 38 -4.317 5.031 -1.068 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.382 7.519 -2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.669 5.844 -1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.846 7.184 -2.374 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.435 4.555 -2.898 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.958 5.090 -3.581 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.768 6.983 -4.704 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.250 6.400 -4.050 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.776 4.397 -5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.219 6.865 -5.688 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.549 6.237 -7.197 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.914 3.622 -7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.507 4.405 -8.211 1.00 0.00 H new ATOM 632 N GLU A 39 -5.346 7.520 0.772 1.00 0.00 N ATOM 633 CA GLU A 39 -5.624 8.382 1.897 1.00 0.00 C ATOM 634 C GLU A 39 -4.409 9.229 2.220 1.00 0.00 C ATOM 635 O GLU A 39 -4.526 10.399 2.562 1.00 0.00 O ATOM 636 CB GLU A 39 -6.051 7.565 3.104 1.00 0.00 C ATOM 637 CG GLU A 39 -7.295 6.718 2.867 1.00 0.00 C ATOM 638 CD GLU A 39 -8.486 7.529 2.422 1.00 0.00 C ATOM 639 OE1 GLU A 39 -9.261 7.977 3.284 1.00 0.00 O ATOM 640 OE2 GLU A 39 -8.675 7.729 1.206 1.00 0.00 O ATOM 0 H GLU A 39 -5.249 6.532 1.007 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.447 9.047 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.229 6.912 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.236 8.239 3.940 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.075 5.963 2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.547 6.188 3.785 1.00 0.00 H new ATOM 647 N ARG A 40 -3.246 8.638 2.059 1.00 0.00 N ATOM 648 CA ARG A 40 -1.995 9.316 2.312 1.00 0.00 C ATOM 649 C ARG A 40 -1.749 10.413 1.274 1.00 0.00 C ATOM 650 O ARG A 40 -1.425 11.562 1.634 1.00 0.00 O ATOM 651 CB ARG A 40 -0.838 8.318 2.333 1.00 0.00 C ATOM 652 CG ARG A 40 0.511 8.964 2.521 1.00 0.00 C ATOM 653 CD ARG A 40 1.619 7.942 2.601 1.00 0.00 C ATOM 654 NE ARG A 40 2.929 8.586 2.681 1.00 0.00 N ATOM 655 CZ ARG A 40 4.033 8.040 3.196 1.00 0.00 C ATOM 656 NH1 ARG A 40 3.967 6.871 3.841 1.00 0.00 N ATOM 657 NH2 ARG A 40 5.194 8.684 3.100 1.00 0.00 N ATOM 0 H ARG A 40 -3.141 7.672 1.748 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.056 9.789 3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.003 7.600 3.136 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.836 7.757 1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.705 9.646 1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.503 9.563 3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.469 7.307 3.474 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.583 7.293 1.726 1.00 0.00 H new ATOM 0 HE ARG A 40 3.006 9.534 2.312 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.071 6.393 3.941 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.812 6.457 4.233 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.237 9.591 2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.040 8.271 3.492 1.00 0.00 H new ATOM 671 N GLU A 41 -1.925 10.075 -0.002 1.00 0.00 N ATOM 672 CA GLU A 41 -1.739 11.042 -1.067 1.00 0.00 C ATOM 673 C GLU A 41 -2.810 12.112 -1.004 1.00 0.00 C ATOM 674 O GLU A 41 -2.520 13.263 -1.207 1.00 0.00 O ATOM 675 CB GLU A 41 -1.689 10.400 -2.474 1.00 0.00 C ATOM 676 CG GLU A 41 -2.919 9.597 -2.837 1.00 0.00 C ATOM 677 CD GLU A 41 -2.977 9.200 -4.289 1.00 0.00 C ATOM 678 OE1 GLU A 41 -3.499 9.989 -5.107 1.00 0.00 O ATOM 679 OE2 GLU A 41 -2.542 8.096 -4.651 1.00 0.00 O ATOM 0 H GLU A 41 -2.195 9.143 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.763 11.499 -0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.552 11.188 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.815 9.751 -2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.949 8.697 -2.222 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.807 10.180 -2.593 1.00 0.00 H new ATOM 686 N GLY A 42 -4.038 11.722 -0.650 1.00 0.00 N ATOM 687 CA GLY A 42 -5.137 12.673 -0.561 1.00 0.00 C ATOM 688 C GLY A 42 -4.945 13.650 0.576 1.00 0.00 C ATOM 689 O GLY A 42 -5.399 14.788 0.519 1.00 0.00 O ATOM 0 H GLY A 42 -4.290 10.760 -0.423 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.221 13.220 -1.500 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.074 12.133 -0.422 1.00 0.00 H new ATOM 693 N ARG A 43 -4.268 13.196 1.607 1.00 0.00 N ATOM 694 CA ARG A 43 -3.958 14.012 2.766 1.00 0.00 C ATOM 695 C ARG A 43 -2.900 15.072 2.405 1.00 0.00 C ATOM 696 O ARG A 43 -2.867 16.164 2.989 1.00 0.00 O ATOM 697 CB ARG A 43 -3.463 13.109 3.902 1.00 0.00 C ATOM 698 CG ARG A 43 -3.105 13.818 5.200 1.00 0.00 C ATOM 699 CD ARG A 43 -2.563 12.827 6.220 1.00 0.00 C ATOM 700 NE ARG A 43 -3.553 11.803 6.582 1.00 0.00 N ATOM 701 CZ ARG A 43 -3.276 10.557 6.993 1.00 0.00 C ATOM 702 NH1 ARG A 43 -2.022 10.122 7.031 1.00 0.00 N ATOM 703 NH2 ARG A 43 -4.268 9.747 7.342 1.00 0.00 N ATOM 0 H ARG A 43 -3.913 12.242 1.668 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.856 14.535 3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.234 12.368 4.115 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.586 12.565 3.553 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.362 14.591 5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.986 14.317 5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.674 12.343 5.816 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.254 13.364 7.117 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.537 12.063 6.515 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.260 10.737 6.746 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.821 9.173 7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.233 10.074 7.297 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.065 8.798 7.656 1.00 0.00 H new ATOM 717 N ARG A 44 -2.053 14.751 1.447 1.00 0.00 N ATOM 718 CA ARG A 44 -1.005 15.657 1.020 1.00 0.00 C ATOM 719 C ARG A 44 -1.495 16.505 -0.155 1.00 0.00 C ATOM 720 O ARG A 44 -1.522 17.743 -0.085 1.00 0.00 O ATOM 721 CB ARG A 44 0.263 14.875 0.640 1.00 0.00 C ATOM 722 CG ARG A 44 1.420 15.758 0.215 1.00 0.00 C ATOM 723 CD ARG A 44 2.671 14.957 -0.090 1.00 0.00 C ATOM 724 NE ARG A 44 3.760 15.833 -0.516 1.00 0.00 N ATOM 725 CZ ARG A 44 4.733 15.524 -1.377 1.00 0.00 C ATOM 726 NH1 ARG A 44 4.813 14.308 -1.920 1.00 0.00 N ATOM 727 NH2 ARG A 44 5.636 16.438 -1.686 1.00 0.00 N ATOM 0 H ARG A 44 -2.071 13.863 0.946 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.754 16.322 1.847 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.574 14.269 1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.025 14.187 -0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.133 16.330 -0.667 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.635 16.477 1.005 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.974 14.397 0.795 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.459 14.227 -0.871 1.00 0.00 H new ATOM 0 HE ARG A 44 3.779 16.772 -0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.124 13.596 -1.679 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.563 14.091 -2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.585 17.367 -1.268 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.384 16.214 -2.342 1.00 0.00 H new ATOM 741 N GLU A 45 -1.905 15.835 -1.197 1.00 0.00 N ATOM 742 CA GLU A 45 -2.400 16.449 -2.392 1.00 0.00 C ATOM 743 C GLU A 45 -3.917 16.480 -2.331 1.00 0.00 C ATOM 744 O GLU A 45 -4.583 15.456 -2.514 1.00 0.00 O ATOM 745 CB GLU A 45 -1.909 15.671 -3.632 1.00 0.00 C ATOM 746 CG GLU A 45 -2.447 16.179 -4.968 1.00 0.00 C ATOM 747 CD GLU A 45 -1.872 15.434 -6.153 1.00 0.00 C ATOM 748 OE1 GLU A 45 -0.925 15.951 -6.778 1.00 0.00 O ATOM 749 OE2 GLU A 45 -2.349 14.325 -6.481 1.00 0.00 O ATOM 0 H GLU A 45 -1.903 14.816 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.025 17.469 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.820 15.709 -3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.189 14.624 -3.519 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.533 16.084 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.219 17.240 -5.066 1.00 0.00 H new ATOM 756 N VAL A 46 -4.453 17.628 -2.025 1.00 0.00 N ATOM 757 CA VAL A 46 -5.887 17.791 -1.943 1.00 0.00 C ATOM 758 C VAL A 46 -6.462 18.037 -3.334 1.00 0.00 C ATOM 759 O VAL A 46 -5.761 18.546 -4.226 1.00 0.00 O ATOM 760 CB VAL A 46 -6.295 18.937 -0.975 1.00 0.00 C ATOM 761 CG1 VAL A 46 -5.816 18.637 0.437 1.00 0.00 C ATOM 762 CG2 VAL A 46 -5.755 20.284 -1.440 1.00 0.00 C ATOM 0 H VAL A 46 -3.918 18.474 -1.826 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.301 16.868 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.383 18.996 -0.976 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.110 19.450 1.101 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.264 17.705 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.730 18.541 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.061 21.060 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.667 20.244 -1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.151 20.513 -2.429 1.00 0.00 H new ATOM 772 N ASP A 47 -7.701 17.677 -3.525 1.00 0.00 N ATOM 773 CA ASP A 47 -8.353 17.824 -4.812 1.00 0.00 C ATOM 774 C ASP A 47 -9.584 18.682 -4.660 1.00 0.00 C ATOM 775 O ASP A 47 -9.674 19.732 -5.305 1.00 0.00 O ATOM 776 CB ASP A 47 -8.725 16.465 -5.401 1.00 0.00 C ATOM 777 CG ASP A 47 -9.324 16.584 -6.785 1.00 0.00 C ATOM 778 OD1 ASP A 47 -10.568 16.688 -6.909 1.00 0.00 O ATOM 779 OD2 ASP A 47 -8.554 16.572 -7.779 1.00 0.00 O ATOM 780 OXT ASP A 47 -10.436 18.357 -3.812 1.00 0.00 O ATOM 0 H ASP A 47 -8.293 17.273 -2.799 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.657 18.306 -5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.837 15.835 -5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.436 15.968 -4.741 1.00 0.00 H new TER 785 ASP A 47