USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 670 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 607 CYS SG : rot 180:sc= -0.0125 USER MOD Single : A 608 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 610 MET CE :methyl -123:sc= -0.852 (180deg=-1.68!) USER MOD Single : A 611 SER OG : rot 180:sc= 0 USER MOD Single : A 612 TYR OH : rot 180:sc= 0 USER MOD Single : A 615 LYS NZ :NH3+ -135:sc= -0.974 (180deg=-3.36!) USER MOD Single : A 617 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.2) USER MOD Single : A 619 SER OG : rot 38:sc= 0.428 USER MOD Single : A 623 ASN : amide:sc= -0.0826 X(o=-0.083,f=-0.39) USER MOD Single : A 624 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 629 LYS NZ :NH3+ -122:sc= -1.09 (180deg=-2.7!) USER MOD Single : A 635 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 638 GLN : amide:sc= -3.63! K(o=-3.6!,f=-2.2) USER MOD Single : A 639 SER OG : rot -86:sc= -0.0593 USER MOD Single : A 658 THR OG1 : rot 180:sc= 0 USER MOD Single : A 660 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 SER OG : rot 180:sc= 0 USER MOD Single : A 663 THR OG1 : rot 170:sc= -0.377 USER MOD Single : A 670 TYR OH : rot 180:sc= 0 USER MOD Single : A 672 THR OG1 : rot 97:sc= 1.29 USER MOD Single : A 673 SER OG : rot 180:sc= 0 USER MOD Single : B 389 THR OG1 : rot -10:sc= 0.771 USER MOD Single : B 393 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 395 SER OG : rot 31:sc=-0.000643 USER MOD Single : B 396 GLN : amide:sc= -0.0676 X(o=-0.068,f=-0.33) USER MOD Single : B 397 ASN : amide:sc= -2.61 K(o=-2.6,f=-1.7) USER MOD Single : B 400 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0167) USER MOD Single : B 404 THR OG1 : rot 180:sc= -0.278 USER MOD ----------------------------------------------------------------- ATOM 106 N CYS A 607 -16.603 4.421 6.381 1.00 23.42 N ATOM 107 CA CYS A 607 -15.531 3.685 5.719 1.00 0.22 C ATOM 108 C CYS A 607 -16.086 2.487 4.954 1.00 43.52 C ATOM 109 O CYS A 607 -16.602 1.542 5.550 1.00 45.25 O ATOM 110 CB CYS A 607 -14.496 3.217 6.742 1.00 1.12 C ATOM 111 SG CYS A 607 -13.386 4.523 7.320 1.00 50.31 S ATOM 0 HA CYS A 607 -15.049 4.356 5.008 1.00 0.22 H new ATOM 0 HB2 CYS A 607 -15.016 2.791 7.600 1.00 1.12 H new ATOM 0 HB3 CYS A 607 -13.901 2.418 6.301 1.00 1.12 H new ATOM 0 HG CYS A 607 -12.549 4.030 8.184 1.00 50.31 H new ATOM 117 N LYS A 608 -15.977 2.535 3.631 1.00 2.22 N ATOM 118 CA LYS A 608 -16.467 1.455 2.783 1.00 50.44 C ATOM 119 C LYS A 608 -15.357 0.455 2.480 1.00 41.13 C ATOM 120 O LYS A 608 -14.171 0.787 2.481 1.00 15.40 O ATOM 121 CB LYS A 608 -17.030 2.020 1.476 1.00 10.42 C ATOM 122 CG LYS A 608 -17.914 3.240 1.672 1.00 23.41 C ATOM 123 CD LYS A 608 -19.084 2.938 2.593 1.00 21.05 C ATOM 124 CE LYS A 608 -20.339 3.680 2.161 1.00 75.43 C ATOM 125 NZ LYS A 608 -21.131 4.159 3.327 1.00 10.33 N ATOM 0 H LYS A 608 -15.553 3.311 3.122 1.00 2.22 H new ATOM 0 HA LYS A 608 -17.262 0.937 3.320 1.00 50.44 H new ATOM 0 HB2 LYS A 608 -16.202 2.283 0.817 1.00 10.42 H new ATOM 0 HB3 LYS A 608 -17.604 1.243 0.971 1.00 10.42 H new ATOM 0 HG2 LYS A 608 -17.323 4.056 2.088 1.00 23.41 H new ATOM 0 HG3 LYS A 608 -18.288 3.578 0.706 1.00 23.41 H new ATOM 0 HD2 LYS A 608 -19.278 1.865 2.597 1.00 21.05 H new ATOM 0 HD3 LYS A 608 -18.827 3.220 3.614 1.00 21.05 H new ATOM 0 HE2 LYS A 608 -20.062 4.530 1.537 1.00 75.43 H new ATOM 0 HE3 LYS A 608 -20.956 3.023 1.548 1.00 75.43 H new ATOM 0 HZ1 LYS A 608 -21.978 4.659 2.989 1.00 10.33 H new ATOM 0 HZ2 LYS A 608 -21.418 3.346 3.909 1.00 10.33 H new ATOM 0 HZ3 LYS A 608 -20.551 4.806 3.898 1.00 10.33 H new ATOM 139 N PRO A 609 -15.747 -0.800 2.212 1.00 23.33 N ATOM 140 CA PRO A 609 -14.799 -1.874 1.900 1.00 64.52 C ATOM 141 C PRO A 609 -14.137 -1.686 0.539 1.00 25.34 C ATOM 142 O PRO A 609 -14.634 -0.944 -0.306 1.00 15.33 O ATOM 143 CB PRO A 609 -15.674 -3.131 1.900 1.00 52.34 C ATOM 144 CG PRO A 609 -17.043 -2.638 1.581 1.00 74.21 C ATOM 145 CD PRO A 609 -17.143 -1.268 2.193 1.00 70.01 C ATOM 0 HA PRO A 609 -13.976 -1.911 2.614 1.00 64.52 H new ATOM 0 HB2 PRO A 609 -15.330 -3.853 1.159 1.00 52.34 H new ATOM 0 HB3 PRO A 609 -15.649 -3.631 2.868 1.00 52.34 H new ATOM 0 HG2 PRO A 609 -17.202 -2.597 0.503 1.00 74.21 H new ATOM 0 HG3 PRO A 609 -17.803 -3.304 1.990 1.00 74.21 H new ATOM 0 HD2 PRO A 609 -17.780 -0.609 1.602 1.00 70.01 H new ATOM 0 HD3 PRO A 609 -17.568 -1.306 3.196 1.00 70.01 H new ATOM 153 N MET A 610 -13.011 -2.362 0.336 1.00 71.33 N ATOM 154 CA MET A 610 -12.282 -2.269 -0.924 1.00 23.51 C ATOM 155 C MET A 610 -12.050 -3.654 -1.520 1.00 62.55 C ATOM 156 O MET A 610 -11.574 -4.563 -0.840 1.00 2.33 O ATOM 157 CB MET A 610 -10.942 -1.563 -0.710 1.00 63.10 C ATOM 158 CG MET A 610 -11.072 -0.198 -0.055 1.00 42.31 C ATOM 159 SD MET A 610 -11.193 1.141 -1.257 1.00 72.11 S ATOM 160 CE MET A 610 -9.621 0.983 -2.101 1.00 11.15 C ATOM 0 H MET A 610 -12.584 -2.979 1.027 1.00 71.33 H new ATOM 0 HA MET A 610 -12.884 -1.688 -1.623 1.00 23.51 H new ATOM 0 HB2 MET A 610 -10.303 -2.194 -0.092 1.00 63.10 H new ATOM 0 HB3 MET A 610 -10.443 -1.449 -1.672 1.00 63.10 H new ATOM 0 HG2 MET A 610 -11.955 -0.189 0.584 1.00 42.31 H new ATOM 0 HG3 MET A 610 -10.210 -0.025 0.590 1.00 42.31 H new ATOM 0 HE1 MET A 610 -9.076 1.925 -2.035 1.00 11.15 H new ATOM 0 HE2 MET A 610 -9.035 0.191 -1.634 1.00 11.15 H new ATOM 0 HE3 MET A 610 -9.794 0.737 -3.149 1.00 11.15 H new ATOM 170 N SER A 611 -12.391 -3.808 -2.796 1.00 60.31 N ATOM 171 CA SER A 611 -12.224 -5.084 -3.484 1.00 12.44 C ATOM 172 C SER A 611 -10.807 -5.223 -4.033 1.00 52.44 C ATOM 173 O SER A 611 -10.132 -4.229 -4.302 1.00 53.02 O ATOM 174 CB SER A 611 -13.238 -5.210 -4.621 1.00 55.13 C ATOM 175 OG SER A 611 -13.809 -6.506 -4.654 1.00 73.31 O ATOM 0 H SER A 611 -12.784 -3.066 -3.374 1.00 60.31 H new ATOM 0 HA SER A 611 -12.396 -5.883 -2.763 1.00 12.44 H new ATOM 0 HB2 SER A 611 -14.024 -4.466 -4.495 1.00 55.13 H new ATOM 0 HB3 SER A 611 -12.750 -5.000 -5.573 1.00 55.13 H new ATOM 0 HG SER A 611 -14.455 -6.560 -5.389 1.00 73.31 H new ATOM 181 N TYR A 612 -10.362 -6.464 -4.196 1.00 75.13 N ATOM 182 CA TYR A 612 -9.025 -6.736 -4.711 1.00 54.42 C ATOM 183 C TYR A 612 -8.771 -5.962 -6.001 1.00 32.31 C ATOM 184 O TYR A 612 -7.653 -5.516 -6.259 1.00 34.31 O ATOM 185 CB TYR A 612 -8.847 -8.234 -4.958 1.00 62.41 C ATOM 186 CG TYR A 612 -9.943 -8.845 -5.803 1.00 1.44 C ATOM 187 CD1 TYR A 612 -9.866 -8.832 -7.189 1.00 34.31 C ATOM 188 CD2 TYR A 612 -11.054 -9.434 -5.213 1.00 34.33 C ATOM 189 CE1 TYR A 612 -10.866 -9.387 -7.964 1.00 64.31 C ATOM 190 CE2 TYR A 612 -12.058 -9.994 -5.979 1.00 41.41 C ATOM 191 CZ TYR A 612 -11.960 -9.967 -7.355 1.00 44.21 C ATOM 192 OH TYR A 612 -12.956 -10.523 -8.124 1.00 13.51 O ATOM 0 H TYR A 612 -10.908 -7.298 -3.979 1.00 75.13 H new ATOM 0 HA TYR A 612 -8.301 -6.409 -3.964 1.00 54.42 H new ATOM 0 HB2 TYR A 612 -7.887 -8.401 -5.447 1.00 62.41 H new ATOM 0 HB3 TYR A 612 -8.810 -8.750 -3.998 1.00 62.41 H new ATOM 0 HD1 TYR A 612 -9.010 -8.381 -7.669 1.00 34.31 H new ATOM 0 HD2 TYR A 612 -11.134 -9.455 -4.136 1.00 34.33 H new ATOM 0 HE1 TYR A 612 -10.792 -9.367 -9.041 1.00 64.31 H new ATOM 0 HE2 TYR A 612 -12.914 -10.450 -5.504 1.00 41.41 H new ATOM 0 HH TYR A 612 -13.653 -10.890 -7.541 1.00 13.51 H new ATOM 202 N GLU A 613 -9.817 -5.808 -6.807 1.00 44.01 N ATOM 203 CA GLU A 613 -9.706 -5.088 -8.071 1.00 74.41 C ATOM 204 C GLU A 613 -9.050 -3.727 -7.866 1.00 4.42 C ATOM 205 O GLU A 613 -8.007 -3.435 -8.450 1.00 55.55 O ATOM 206 CB GLU A 613 -11.088 -4.911 -8.704 1.00 41.30 C ATOM 207 CG GLU A 613 -11.259 -5.663 -10.013 1.00 74.51 C ATOM 208 CD GLU A 613 -11.400 -4.737 -11.205 1.00 0.42 C ATOM 209 OE1 GLU A 613 -12.376 -3.959 -11.241 1.00 34.01 O ATOM 210 OE2 GLU A 613 -10.532 -4.789 -12.102 1.00 5.43 O ATOM 0 H GLU A 613 -10.749 -6.171 -6.608 1.00 44.01 H new ATOM 0 HA GLU A 613 -9.079 -5.676 -8.742 1.00 74.41 H new ATOM 0 HB2 GLU A 613 -11.847 -5.249 -7.999 1.00 41.30 H new ATOM 0 HB3 GLU A 613 -11.265 -3.850 -8.879 1.00 41.30 H new ATOM 0 HG2 GLU A 613 -10.401 -6.318 -10.166 1.00 74.51 H new ATOM 0 HG3 GLU A 613 -12.140 -6.302 -9.948 1.00 74.51 H new ATOM 217 N GLU A 614 -9.669 -2.897 -7.031 1.00 45.12 N ATOM 218 CA GLU A 614 -9.145 -1.565 -6.750 1.00 42.24 C ATOM 219 C GLU A 614 -7.689 -1.637 -6.299 1.00 42.02 C ATOM 220 O GLU A 614 -6.800 -1.077 -6.940 1.00 44.15 O ATOM 221 CB GLU A 614 -9.990 -0.877 -5.677 1.00 61.11 C ATOM 222 CG GLU A 614 -10.657 0.403 -6.154 1.00 61.33 C ATOM 223 CD GLU A 614 -11.521 0.187 -7.381 1.00 61.41 C ATOM 224 OE1 GLU A 614 -12.454 -0.639 -7.313 1.00 34.52 O ATOM 225 OE2 GLU A 614 -11.263 0.845 -8.411 1.00 23.44 O ATOM 0 H GLU A 614 -10.533 -3.123 -6.538 1.00 45.12 H new ATOM 0 HA GLU A 614 -9.193 -0.982 -7.669 1.00 42.24 H new ATOM 0 HB2 GLU A 614 -10.758 -1.570 -5.332 1.00 61.11 H new ATOM 0 HB3 GLU A 614 -9.357 -0.649 -4.819 1.00 61.11 H new ATOM 0 HG2 GLU A 614 -11.270 0.811 -5.350 1.00 61.33 H new ATOM 0 HG3 GLU A 614 -9.891 1.145 -6.379 1.00 61.33 H new ATOM 232 N LYS A 615 -7.453 -2.330 -5.190 1.00 61.14 N ATOM 233 CA LYS A 615 -6.106 -2.478 -4.652 1.00 72.14 C ATOM 234 C LYS A 615 -5.133 -2.932 -5.736 1.00 15.14 C ATOM 235 O LYS A 615 -3.958 -2.566 -5.720 1.00 61.12 O ATOM 236 CB LYS A 615 -6.104 -3.481 -3.496 1.00 72.13 C ATOM 237 CG LYS A 615 -7.487 -3.990 -3.131 1.00 24.32 C ATOM 238 CD LYS A 615 -7.434 -4.954 -1.956 1.00 3.51 C ATOM 239 CE LYS A 615 -8.823 -5.236 -1.404 1.00 71.22 C ATOM 240 NZ LYS A 615 -9.176 -6.679 -1.504 1.00 24.30 N ATOM 0 H LYS A 615 -8.178 -2.798 -4.646 1.00 61.14 H new ATOM 0 HA LYS A 615 -5.781 -1.506 -4.282 1.00 72.14 H new ATOM 0 HB2 LYS A 615 -5.473 -4.329 -3.762 1.00 72.13 H new ATOM 0 HB3 LYS A 615 -5.656 -3.012 -2.620 1.00 72.13 H new ATOM 0 HG2 LYS A 615 -8.132 -3.147 -2.883 1.00 24.32 H new ATOM 0 HG3 LYS A 615 -7.931 -4.489 -3.992 1.00 24.32 H new ATOM 0 HD2 LYS A 615 -6.970 -5.889 -2.271 1.00 3.51 H new ATOM 0 HD3 LYS A 615 -6.806 -4.536 -1.169 1.00 3.51 H new ATOM 0 HE2 LYS A 615 -8.870 -4.922 -0.361 1.00 71.22 H new ATOM 0 HE3 LYS A 615 -9.558 -4.644 -1.949 1.00 71.22 H new ATOM 0 HZ1 LYS A 615 -10.146 -6.775 -1.866 1.00 24.30 H new ATOM 0 HZ2 LYS A 615 -8.516 -7.154 -2.153 1.00 24.30 H new ATOM 0 HZ3 LYS A 615 -9.112 -7.118 -0.563 1.00 24.30 H new ATOM 254 N ARG A 616 -5.631 -3.729 -6.675 1.00 31.30 N ATOM 255 CA ARG A 616 -4.806 -4.233 -7.766 1.00 51.51 C ATOM 256 C ARG A 616 -4.153 -3.083 -8.529 1.00 23.32 C ATOM 257 O ARG A 616 -2.962 -3.128 -8.837 1.00 74.25 O ATOM 258 CB ARG A 616 -5.648 -5.080 -8.723 1.00 31.23 C ATOM 259 CG ARG A 616 -5.034 -6.434 -9.036 1.00 74.13 C ATOM 260 CD ARG A 616 -5.206 -6.797 -10.504 1.00 25.45 C ATOM 261 NE ARG A 616 -6.600 -7.067 -10.841 1.00 32.41 N ATOM 262 CZ ARG A 616 -6.983 -7.654 -11.970 1.00 13.32 C ATOM 263 NH1 ARG A 616 -6.080 -8.031 -12.864 1.00 44.21 N ATOM 264 NH2 ARG A 616 -8.272 -7.865 -12.206 1.00 22.13 N ATOM 0 H ARG A 616 -6.602 -4.040 -6.702 1.00 31.30 H new ATOM 0 HA ARG A 616 -4.021 -4.855 -7.336 1.00 51.51 H new ATOM 0 HB2 ARG A 616 -6.636 -5.230 -8.289 1.00 31.23 H new ATOM 0 HB3 ARG A 616 -5.789 -4.530 -9.654 1.00 31.23 H new ATOM 0 HG2 ARG A 616 -3.973 -6.421 -8.785 1.00 74.13 H new ATOM 0 HG3 ARG A 616 -5.499 -7.199 -8.414 1.00 74.13 H new ATOM 0 HD2 ARG A 616 -4.834 -5.982 -11.125 1.00 25.45 H new ATOM 0 HD3 ARG A 616 -4.601 -7.674 -10.734 1.00 25.45 H new ATOM 0 HE ARG A 616 -7.320 -6.790 -10.173 1.00 32.41 H new ATOM 0 HH11 ARG A 616 -5.088 -7.871 -12.686 1.00 44.21 H new ATOM 0 HH12 ARG A 616 -6.377 -8.481 -13.730 1.00 44.21 H new ATOM 0 HH21 ARG A 616 -8.970 -7.576 -11.520 1.00 22.13 H new ATOM 0 HH22 ARG A 616 -8.565 -8.316 -13.073 1.00 22.13 H new ATOM 278 N GLN A 617 -4.941 -2.056 -8.830 1.00 12.05 N ATOM 279 CA GLN A 617 -4.439 -0.896 -9.557 1.00 32.24 C ATOM 280 C GLN A 617 -3.449 -0.107 -8.707 1.00 43.32 C ATOM 281 O GLN A 617 -2.574 0.582 -9.233 1.00 14.40 O ATOM 282 CB GLN A 617 -5.599 0.007 -9.981 1.00 22.00 C ATOM 283 CG GLN A 617 -5.357 0.731 -11.295 1.00 3.52 C ATOM 284 CD GLN A 617 -4.642 2.056 -11.109 1.00 22.13 C ATOM 285 OE1 GLN A 617 -4.870 2.765 -10.128 1.00 74.11 O ATOM 286 NE2 GLN A 617 -3.771 2.397 -12.050 1.00 70.54 N ATOM 0 H GLN A 617 -5.929 -2.004 -8.582 1.00 12.05 H new ATOM 0 HA GLN A 617 -3.921 -1.253 -10.447 1.00 32.24 H new ATOM 0 HB2 GLN A 617 -6.504 -0.595 -10.068 1.00 22.00 H new ATOM 0 HB3 GLN A 617 -5.780 0.743 -9.198 1.00 22.00 H new ATOM 0 HG2 GLN A 617 -4.767 0.093 -11.953 1.00 3.52 H new ATOM 0 HG3 GLN A 617 -6.312 0.904 -11.791 1.00 3.52 H new ATOM 0 HE21 GLN A 617 -3.613 1.780 -12.846 1.00 70.54 H new ATOM 0 HE22 GLN A 617 -3.260 3.277 -11.977 1.00 70.54 H new ATOM 295 N LEU A 618 -3.593 -0.212 -7.391 1.00 23.23 N ATOM 296 CA LEU A 618 -2.710 0.492 -6.467 1.00 21.14 C ATOM 297 C LEU A 618 -1.311 -0.116 -6.478 1.00 14.01 C ATOM 298 O LEU A 618 -0.315 0.597 -6.597 1.00 71.24 O ATOM 299 CB LEU A 618 -3.285 0.450 -5.049 1.00 65.44 C ATOM 300 CG LEU A 618 -4.338 1.508 -4.720 1.00 40.55 C ATOM 301 CD1 LEU A 618 -3.781 2.905 -4.951 1.00 23.21 C ATOM 302 CD2 LEU A 618 -5.593 1.289 -5.552 1.00 42.40 C ATOM 0 H LEU A 618 -4.312 -0.777 -6.940 1.00 23.23 H new ATOM 0 HA LEU A 618 -2.637 1.529 -6.793 1.00 21.14 H new ATOM 0 HB2 LEU A 618 -3.724 -0.534 -4.886 1.00 65.44 H new ATOM 0 HB3 LEU A 618 -2.462 0.553 -4.342 1.00 65.44 H new ATOM 0 HG LEU A 618 -4.603 1.413 -3.667 1.00 40.55 H new ATOM 0 HD11 LEU A 618 -4.544 3.645 -4.712 1.00 23.21 H new ATOM 0 HD12 LEU A 618 -2.912 3.060 -4.312 1.00 23.21 H new ATOM 0 HD13 LEU A 618 -3.487 3.011 -5.995 1.00 23.21 H new ATOM 0 HD21 LEU A 618 -6.331 2.052 -5.304 1.00 42.40 H new ATOM 0 HD22 LEU A 618 -5.344 1.356 -6.611 1.00 42.40 H new ATOM 0 HD23 LEU A 618 -6.004 0.303 -5.338 1.00 42.40 H new ATOM 314 N SER A 619 -1.245 -1.438 -6.357 1.00 30.43 N ATOM 315 CA SER A 619 0.031 -2.142 -6.351 1.00 70.00 C ATOM 316 C SER A 619 0.855 -1.784 -7.585 1.00 12.14 C ATOM 317 O SER A 619 2.067 -1.581 -7.499 1.00 51.24 O ATOM 318 CB SER A 619 -0.197 -3.654 -6.298 1.00 64.23 C ATOM 319 OG SER A 619 -1.402 -4.012 -6.951 1.00 51.21 O ATOM 0 H SER A 619 -2.061 -2.043 -6.262 1.00 30.43 H new ATOM 0 HA SER A 619 0.584 -1.833 -5.464 1.00 70.00 H new ATOM 0 HB2 SER A 619 0.641 -4.168 -6.768 1.00 64.23 H new ATOM 0 HB3 SER A 619 -0.231 -3.983 -5.260 1.00 64.23 H new ATOM 0 HG SER A 619 -1.518 -3.458 -7.751 1.00 51.21 H new ATOM 325 N LEU A 620 0.188 -1.707 -8.731 1.00 43.21 N ATOM 326 CA LEU A 620 0.856 -1.372 -9.985 1.00 24.53 C ATOM 327 C LEU A 620 1.137 0.124 -10.069 1.00 12.31 C ATOM 328 O LEU A 620 2.279 0.542 -10.258 1.00 72.44 O ATOM 329 CB LEU A 620 0.001 -1.812 -11.174 1.00 0.40 C ATOM 330 CG LEU A 620 0.501 -1.383 -12.554 1.00 73.23 C ATOM 331 CD1 LEU A 620 1.206 -2.538 -13.248 1.00 24.43 C ATOM 332 CD2 LEU A 620 -0.653 -0.873 -13.405 1.00 42.54 C ATOM 0 H LEU A 620 -0.815 -1.872 -8.819 1.00 43.21 H new ATOM 0 HA LEU A 620 1.808 -1.903 -10.015 1.00 24.53 H new ATOM 0 HB2 LEU A 620 -0.075 -2.899 -11.159 1.00 0.40 H new ATOM 0 HB3 LEU A 620 -1.007 -1.420 -11.036 1.00 0.40 H new ATOM 0 HG LEU A 620 1.217 -0.571 -12.424 1.00 73.23 H new ATOM 0 HD11 LEU A 620 1.555 -2.215 -14.229 1.00 24.43 H new ATOM 0 HD12 LEU A 620 2.057 -2.858 -12.647 1.00 24.43 H new ATOM 0 HD13 LEU A 620 0.512 -3.370 -13.366 1.00 24.43 H new ATOM 0 HD21 LEU A 620 -0.278 -0.572 -14.383 1.00 42.54 H new ATOM 0 HD22 LEU A 620 -1.392 -1.664 -13.527 1.00 42.54 H new ATOM 0 HD23 LEU A 620 -1.116 -0.017 -12.915 1.00 42.54 H new ATOM 344 N ASP A 621 0.088 0.926 -9.927 1.00 13.43 N ATOM 345 CA ASP A 621 0.221 2.378 -9.983 1.00 63.34 C ATOM 346 C ASP A 621 1.324 2.858 -9.047 1.00 11.52 C ATOM 347 O ASP A 621 2.305 3.460 -9.485 1.00 21.20 O ATOM 348 CB ASP A 621 -1.104 3.047 -9.618 1.00 52.31 C ATOM 349 CG ASP A 621 -1.118 4.526 -9.954 1.00 3.22 C ATOM 350 OD1 ASP A 621 -0.081 5.190 -9.747 1.00 52.41 O ATOM 351 OD2 ASP A 621 -2.166 5.019 -10.424 1.00 24.34 O ATOM 0 H ASP A 621 -0.865 0.596 -9.772 1.00 13.43 H new ATOM 0 HA ASP A 621 0.489 2.655 -11.002 1.00 63.34 H new ATOM 0 HB2 ASP A 621 -1.917 2.549 -10.147 1.00 52.31 H new ATOM 0 HB3 ASP A 621 -1.291 2.918 -8.552 1.00 52.31 H new ATOM 356 N ILE A 622 1.156 2.591 -7.756 1.00 12.44 N ATOM 357 CA ILE A 622 2.137 2.997 -6.757 1.00 42.24 C ATOM 358 C ILE A 622 3.531 2.497 -7.122 1.00 31.33 C ATOM 359 O ILE A 622 4.529 3.174 -6.878 1.00 32.34 O ATOM 360 CB ILE A 622 1.766 2.474 -5.358 1.00 14.22 C ATOM 361 CG1 ILE A 622 0.480 3.142 -4.864 1.00 51.34 C ATOM 362 CG2 ILE A 622 2.905 2.721 -4.380 1.00 1.52 C ATOM 363 CD1 ILE A 622 -0.104 2.492 -3.630 1.00 23.44 C ATOM 0 H ILE A 622 0.349 2.095 -7.377 1.00 12.44 H new ATOM 0 HA ILE A 622 2.137 4.087 -6.739 1.00 42.24 H new ATOM 0 HB ILE A 622 1.595 1.400 -5.423 1.00 14.22 H new ATOM 0 HG12 ILE A 622 0.685 4.191 -4.650 1.00 51.34 H new ATOM 0 HG13 ILE A 622 -0.262 3.118 -5.662 1.00 51.34 H new ATOM 0 HG21 ILE A 622 2.627 2.345 -3.395 1.00 1.52 H new ATOM 0 HG22 ILE A 622 3.800 2.204 -4.726 1.00 1.52 H new ATOM 0 HG23 ILE A 622 3.105 3.791 -4.317 1.00 1.52 H new ATOM 0 HD11 ILE A 622 -1.013 3.018 -3.337 1.00 23.44 H new ATOM 0 HD12 ILE A 622 -0.341 1.450 -3.845 1.00 23.44 H new ATOM 0 HD13 ILE A 622 0.620 2.539 -2.817 1.00 23.44 H new ATOM 375 N ASN A 623 3.592 1.306 -7.708 1.00 34.41 N ATOM 376 CA ASN A 623 4.863 0.713 -8.108 1.00 45.00 C ATOM 377 C ASN A 623 5.507 1.516 -9.235 1.00 34.32 C ATOM 378 O ASN A 623 6.718 1.736 -9.242 1.00 73.32 O ATOM 379 CB ASN A 623 4.658 -0.736 -8.552 1.00 12.15 C ATOM 380 CG ASN A 623 5.817 -1.258 -9.377 1.00 65.23 C ATOM 381 OD1 ASN A 623 5.874 -1.050 -10.590 1.00 1.53 O ATOM 382 ND2 ASN A 623 6.750 -1.940 -8.724 1.00 11.04 N ATOM 0 H ASN A 623 2.775 0.732 -7.917 1.00 34.41 H new ATOM 0 HA ASN A 623 5.530 0.730 -7.246 1.00 45.00 H new ATOM 0 HB2 ASN A 623 4.528 -1.367 -7.673 1.00 12.15 H new ATOM 0 HB3 ASN A 623 3.740 -0.808 -9.135 1.00 12.15 H new ATOM 0 HD21 ASN A 623 7.554 -2.315 -9.228 1.00 11.04 H new ATOM 0 HD22 ASN A 623 6.663 -2.089 -7.719 1.00 11.04 H new ATOM 389 N LYS A 624 4.687 1.952 -10.186 1.00 22.11 N ATOM 390 CA LYS A 624 5.174 2.732 -11.317 1.00 21.20 C ATOM 391 C LYS A 624 5.626 4.118 -10.868 1.00 51.41 C ATOM 392 O LYS A 624 6.510 4.722 -11.477 1.00 71.52 O ATOM 393 CB LYS A 624 4.083 2.859 -12.382 1.00 13.41 C ATOM 394 CG LYS A 624 4.585 3.417 -13.703 1.00 72.24 C ATOM 395 CD LYS A 624 3.574 3.205 -14.818 1.00 34.12 C ATOM 396 CE LYS A 624 4.178 2.431 -15.978 1.00 65.14 C ATOM 397 NZ LYS A 624 4.900 3.325 -16.926 1.00 62.12 N ATOM 0 H LYS A 624 3.682 1.778 -10.195 1.00 22.11 H new ATOM 0 HA LYS A 624 6.031 2.211 -11.744 1.00 21.20 H new ATOM 0 HB2 LYS A 624 3.641 1.878 -12.556 1.00 13.41 H new ATOM 0 HB3 LYS A 624 3.290 3.503 -12.003 1.00 13.41 H new ATOM 0 HG2 LYS A 624 4.791 4.482 -13.595 1.00 72.24 H new ATOM 0 HG3 LYS A 624 5.527 2.936 -13.968 1.00 72.24 H new ATOM 0 HD2 LYS A 624 2.710 2.665 -14.430 1.00 34.12 H new ATOM 0 HD3 LYS A 624 3.213 4.171 -15.172 1.00 34.12 H new ATOM 0 HE2 LYS A 624 4.866 1.678 -15.593 1.00 65.14 H new ATOM 0 HE3 LYS A 624 3.389 1.899 -16.510 1.00 65.14 H new ATOM 0 HZ1 LYS A 624 5.297 2.759 -17.703 1.00 62.12 H new ATOM 0 HZ2 LYS A 624 4.238 4.028 -17.313 1.00 62.12 H new ATOM 0 HZ3 LYS A 624 5.669 3.813 -16.425 1.00 62.12 H new ATOM 411 N LEU A 625 5.014 4.617 -9.800 1.00 3.02 N ATOM 412 CA LEU A 625 5.354 5.932 -9.268 1.00 51.45 C ATOM 413 C LEU A 625 6.802 5.968 -8.790 1.00 43.52 C ATOM 414 O LEU A 625 7.432 4.936 -8.563 1.00 63.33 O ATOM 415 CB LEU A 625 4.415 6.298 -8.117 1.00 25.21 C ATOM 416 CG LEU A 625 3.171 7.101 -8.494 1.00 44.35 C ATOM 417 CD1 LEU A 625 2.663 6.685 -9.866 1.00 32.21 C ATOM 418 CD2 LEU A 625 2.084 6.925 -7.445 1.00 34.21 C ATOM 0 H LEU A 625 4.280 4.131 -9.285 1.00 3.02 H new ATOM 0 HA LEU A 625 5.237 6.662 -10.069 1.00 51.45 H new ATOM 0 HB2 LEU A 625 4.094 5.377 -7.630 1.00 25.21 H new ATOM 0 HB3 LEU A 625 4.981 6.868 -7.380 1.00 25.21 H new ATOM 0 HG LEU A 625 3.442 8.156 -8.534 1.00 44.35 H new ATOM 0 HD11 LEU A 625 1.777 7.267 -10.118 1.00 32.21 H new ATOM 0 HD12 LEU A 625 3.438 6.864 -10.611 1.00 32.21 H new ATOM 0 HD13 LEU A 625 2.409 5.625 -9.854 1.00 32.21 H new ATOM 0 HD21 LEU A 625 1.206 7.504 -7.730 1.00 34.21 H new ATOM 0 HD22 LEU A 625 1.816 5.871 -7.372 1.00 34.21 H new ATOM 0 HD23 LEU A 625 2.450 7.274 -6.479 1.00 34.21 H new ATOM 430 N PRO A 626 7.343 7.186 -8.630 1.00 63.12 N ATOM 431 CA PRO A 626 8.722 7.386 -8.175 1.00 1.13 C ATOM 432 C PRO A 626 8.910 7.003 -6.711 1.00 72.44 C ATOM 433 O PRO A 626 7.941 6.866 -5.965 1.00 41.15 O ATOM 434 CB PRO A 626 8.945 8.888 -8.367 1.00 73.24 C ATOM 435 CG PRO A 626 7.581 9.485 -8.297 1.00 62.10 C ATOM 436 CD PRO A 626 6.649 8.460 -8.882 1.00 42.02 C ATOM 0 HA PRO A 626 9.427 6.763 -8.725 1.00 1.13 H new ATOM 0 HB2 PRO A 626 9.595 9.294 -7.592 1.00 73.24 H new ATOM 0 HB3 PRO A 626 9.421 9.098 -9.325 1.00 73.24 H new ATOM 0 HG2 PRO A 626 7.309 9.717 -7.267 1.00 62.10 H new ATOM 0 HG3 PRO A 626 7.535 10.419 -8.857 1.00 62.10 H new ATOM 0 HD2 PRO A 626 5.670 8.486 -8.403 1.00 42.02 H new ATOM 0 HD3 PRO A 626 6.487 8.626 -9.947 1.00 42.02 H new ATOM 444 N GLY A 627 10.164 6.832 -6.305 1.00 62.03 N ATOM 445 CA GLY A 627 10.456 6.466 -4.931 1.00 41.21 C ATOM 446 C GLY A 627 9.798 7.397 -3.932 1.00 31.14 C ATOM 447 O GLY A 627 9.167 6.945 -2.976 1.00 43.45 O ATOM 0 H GLY A 627 10.983 6.940 -6.903 1.00 62.03 H new ATOM 0 HA2 GLY A 627 10.118 5.446 -4.750 1.00 41.21 H new ATOM 0 HA3 GLY A 627 11.535 6.476 -4.777 1.00 41.21 H new ATOM 451 N GLU A 628 9.947 8.700 -4.151 1.00 21.50 N ATOM 452 CA GLU A 628 9.364 9.695 -3.259 1.00 4.31 C ATOM 453 C GLU A 628 7.892 9.395 -2.997 1.00 34.44 C ATOM 454 O GLU A 628 7.398 9.575 -1.883 1.00 2.51 O ATOM 455 CB GLU A 628 9.511 11.096 -3.858 1.00 35.31 C ATOM 456 CG GLU A 628 8.698 11.305 -5.124 1.00 72.11 C ATOM 457 CD GLU A 628 9.022 12.615 -5.817 1.00 21.22 C ATOM 458 OE1 GLU A 628 9.060 13.655 -5.127 1.00 44.53 O ATOM 459 OE2 GLU A 628 9.238 12.599 -7.047 1.00 14.44 O ATOM 0 H GLU A 628 10.466 9.090 -4.938 1.00 21.50 H new ATOM 0 HA GLU A 628 9.900 9.654 -2.311 1.00 4.31 H new ATOM 0 HB2 GLU A 628 9.207 11.833 -3.115 1.00 35.31 H new ATOM 0 HB3 GLU A 628 10.563 11.280 -4.077 1.00 35.31 H new ATOM 0 HG2 GLU A 628 8.884 10.479 -5.811 1.00 72.11 H new ATOM 0 HG3 GLU A 628 7.637 11.282 -4.877 1.00 72.11 H new ATOM 466 N LYS A 629 7.195 8.933 -4.029 1.00 34.14 N ATOM 467 CA LYS A 629 5.779 8.605 -3.911 1.00 62.24 C ATOM 468 C LYS A 629 5.578 7.359 -3.055 1.00 13.11 C ATOM 469 O LYS A 629 4.901 7.403 -2.028 1.00 71.40 O ATOM 470 CB LYS A 629 5.168 8.388 -5.298 1.00 73.52 C ATOM 471 CG LYS A 629 3.948 9.252 -5.567 1.00 20.41 C ATOM 472 CD LYS A 629 2.915 9.119 -4.460 1.00 3.31 C ATOM 473 CE LYS A 629 2.546 7.664 -4.213 1.00 45.24 C ATOM 474 NZ LYS A 629 1.072 7.467 -4.161 1.00 30.42 N ATOM 0 H LYS A 629 7.588 8.777 -4.957 1.00 34.14 H new ATOM 0 HA LYS A 629 5.277 9.442 -3.426 1.00 62.24 H new ATOM 0 HB2 LYS A 629 5.924 8.596 -6.055 1.00 73.52 H new ATOM 0 HB3 LYS A 629 4.891 7.339 -5.404 1.00 73.52 H new ATOM 0 HG2 LYS A 629 4.252 10.295 -5.658 1.00 20.41 H new ATOM 0 HG3 LYS A 629 3.501 8.966 -6.519 1.00 20.41 H new ATOM 0 HD2 LYS A 629 3.306 9.557 -3.542 1.00 3.31 H new ATOM 0 HD3 LYS A 629 2.020 9.682 -4.726 1.00 3.31 H new ATOM 0 HE2 LYS A 629 2.968 7.043 -5.004 1.00 45.24 H new ATOM 0 HE3 LYS A 629 2.990 7.331 -3.275 1.00 45.24 H new ATOM 0 HZ1 LYS A 629 0.810 7.050 -3.245 1.00 30.42 H new ATOM 0 HZ2 LYS A 629 0.595 8.384 -4.273 1.00 30.42 H new ATOM 0 HZ3 LYS A 629 0.780 6.829 -4.929 1.00 30.42 H new ATOM 488 N LEU A 630 6.171 6.250 -3.483 1.00 64.15 N ATOM 489 CA LEU A 630 6.059 4.992 -2.755 1.00 75.33 C ATOM 490 C LEU A 630 6.429 5.177 -1.287 1.00 54.00 C ATOM 491 O LEU A 630 5.734 4.691 -0.395 1.00 5.30 O ATOM 492 CB LEU A 630 6.959 3.930 -3.389 1.00 41.30 C ATOM 493 CG LEU A 630 6.616 2.476 -3.063 1.00 14.44 C ATOM 494 CD1 LEU A 630 6.709 1.612 -4.310 1.00 65.33 C ATOM 495 CD2 LEU A 630 7.534 1.944 -1.972 1.00 33.21 C ATOM 0 H LEU A 630 6.735 6.197 -4.331 1.00 64.15 H new ATOM 0 HA LEU A 630 5.022 4.661 -2.811 1.00 75.33 H new ATOM 0 HB2 LEU A 630 6.928 4.056 -4.471 1.00 41.30 H new ATOM 0 HB3 LEU A 630 7.986 4.119 -3.076 1.00 41.30 H new ATOM 0 HG LEU A 630 5.590 2.438 -2.697 1.00 14.44 H new ATOM 0 HD11 LEU A 630 6.461 0.581 -4.058 1.00 65.33 H new ATOM 0 HD12 LEU A 630 6.009 1.980 -5.061 1.00 65.33 H new ATOM 0 HD13 LEU A 630 7.723 1.655 -4.707 1.00 65.33 H new ATOM 0 HD21 LEU A 630 7.276 0.908 -1.752 1.00 33.21 H new ATOM 0 HD22 LEU A 630 8.569 1.996 -2.310 1.00 33.21 H new ATOM 0 HD23 LEU A 630 7.416 2.546 -1.071 1.00 33.21 H new ATOM 507 N GLY A 631 7.528 5.886 -1.044 1.00 15.41 N ATOM 508 CA GLY A 631 7.970 6.125 0.318 1.00 51.35 C ATOM 509 C GLY A 631 6.860 6.660 1.202 1.00 61.02 C ATOM 510 O GLY A 631 6.740 6.269 2.363 1.00 22.52 O ATOM 0 H GLY A 631 8.119 6.299 -1.765 1.00 15.41 H new ATOM 0 HA2 GLY A 631 8.352 5.196 0.741 1.00 51.35 H new ATOM 0 HA3 GLY A 631 8.797 6.835 0.309 1.00 51.35 H new ATOM 514 N ARG A 632 6.049 7.558 0.653 1.00 14.22 N ATOM 515 CA ARG A 632 4.946 8.148 1.401 1.00 1.31 C ATOM 516 C ARG A 632 3.832 7.130 1.622 1.00 35.24 C ATOM 517 O ARG A 632 3.177 7.128 2.664 1.00 13.14 O ATOM 518 CB ARG A 632 4.395 9.370 0.661 1.00 64.15 C ATOM 519 CG ARG A 632 4.575 10.674 1.420 1.00 2.12 C ATOM 520 CD ARG A 632 5.414 11.667 0.632 1.00 64.33 C ATOM 521 NE ARG A 632 6.187 12.546 1.505 1.00 31.22 N ATOM 522 CZ ARG A 632 6.964 13.527 1.059 1.00 61.30 C ATOM 523 NH1 ARG A 632 7.071 13.752 -0.243 1.00 12.42 N ATOM 524 NH2 ARG A 632 7.635 14.284 1.917 1.00 43.32 N ATOM 0 H ARG A 632 6.135 7.893 -0.307 1.00 14.22 H new ATOM 0 HA ARG A 632 5.327 8.461 2.373 1.00 1.31 H new ATOM 0 HB2 ARG A 632 4.890 9.452 -0.307 1.00 64.15 H new ATOM 0 HB3 ARG A 632 3.334 9.217 0.465 1.00 64.15 H new ATOM 0 HG2 ARG A 632 3.599 11.110 1.633 1.00 2.12 H new ATOM 0 HG3 ARG A 632 5.052 10.475 2.380 1.00 2.12 H new ATOM 0 HD2 ARG A 632 6.091 11.125 -0.028 1.00 64.33 H new ATOM 0 HD3 ARG A 632 4.763 12.268 -0.003 1.00 64.33 H new ATOM 0 HE ARG A 632 6.127 12.399 2.513 1.00 31.22 H new ATOM 0 HH11 ARG A 632 6.556 13.171 -0.905 1.00 12.42 H new ATOM 0 HH12 ARG A 632 7.668 14.506 -0.583 1.00 12.42 H new ATOM 0 HH21 ARG A 632 7.554 14.113 2.919 1.00 43.32 H new ATOM 0 HH22 ARG A 632 8.232 15.037 1.574 1.00 43.32 H new ATOM 538 N VAL A 633 3.622 6.266 0.635 1.00 74.43 N ATOM 539 CA VAL A 633 2.587 5.241 0.721 1.00 5.32 C ATOM 540 C VAL A 633 2.899 4.238 1.826 1.00 71.14 C ATOM 541 O VAL A 633 2.094 4.028 2.734 1.00 65.12 O ATOM 542 CB VAL A 633 2.431 4.488 -0.613 1.00 72.33 C ATOM 543 CG1 VAL A 633 1.370 3.404 -0.493 1.00 4.12 C ATOM 544 CG2 VAL A 633 2.089 5.457 -1.735 1.00 22.41 C ATOM 0 H VAL A 633 4.155 6.255 -0.235 1.00 74.43 H new ATOM 0 HA VAL A 633 1.652 5.752 0.952 1.00 5.32 H new ATOM 0 HB VAL A 633 3.380 4.010 -0.853 1.00 72.33 H new ATOM 0 HG11 VAL A 633 1.273 2.882 -1.445 1.00 4.12 H new ATOM 0 HG12 VAL A 633 1.661 2.694 0.282 1.00 4.12 H new ATOM 0 HG13 VAL A 633 0.415 3.858 -0.229 1.00 4.12 H new ATOM 0 HG21 VAL A 633 1.982 4.908 -2.670 1.00 22.41 H new ATOM 0 HG22 VAL A 633 1.153 5.965 -1.504 1.00 22.41 H new ATOM 0 HG23 VAL A 633 2.886 6.193 -1.836 1.00 22.41 H new ATOM 554 N VAL A 634 4.073 3.620 1.742 1.00 11.44 N ATOM 555 CA VAL A 634 4.493 2.640 2.736 1.00 31.32 C ATOM 556 C VAL A 634 4.327 3.183 4.150 1.00 2.50 C ATOM 557 O VAL A 634 4.015 2.440 5.081 1.00 44.42 O ATOM 558 CB VAL A 634 5.961 2.222 2.527 1.00 73.21 C ATOM 559 CG1 VAL A 634 6.854 3.448 2.418 1.00 22.31 C ATOM 560 CG2 VAL A 634 6.422 1.314 3.657 1.00 12.35 C ATOM 0 H VAL A 634 4.750 3.781 0.996 1.00 11.44 H new ATOM 0 HA VAL A 634 3.852 1.767 2.609 1.00 31.32 H new ATOM 0 HB VAL A 634 6.033 1.665 1.593 1.00 73.21 H new ATOM 0 HG11 VAL A 634 7.887 3.134 2.271 1.00 22.31 H new ATOM 0 HG12 VAL A 634 6.535 4.056 1.571 1.00 22.31 H new ATOM 0 HG13 VAL A 634 6.780 4.034 3.334 1.00 22.31 H new ATOM 0 HG21 VAL A 634 7.461 1.028 3.493 1.00 12.35 H new ATOM 0 HG22 VAL A 634 6.336 1.842 4.606 1.00 12.35 H new ATOM 0 HG23 VAL A 634 5.799 0.420 3.682 1.00 12.35 H new ATOM 570 N HIS A 635 4.538 4.487 4.305 1.00 4.33 N ATOM 571 CA HIS A 635 4.412 5.133 5.607 1.00 0.10 C ATOM 572 C HIS A 635 2.975 5.054 6.115 1.00 64.33 C ATOM 573 O HIS A 635 2.739 4.897 7.313 1.00 0.40 O ATOM 574 CB HIS A 635 4.855 6.594 5.521 1.00 74.40 C ATOM 575 CG HIS A 635 5.938 6.950 6.492 1.00 34.40 C ATOM 576 ND1 HIS A 635 5.890 8.070 7.295 1.00 70.44 N ATOM 577 CD2 HIS A 635 7.101 6.325 6.789 1.00 53.31 C ATOM 578 CE1 HIS A 635 6.978 8.120 8.042 1.00 61.11 C ATOM 579 NE2 HIS A 635 7.730 7.073 7.754 1.00 34.54 N ATOM 0 H HIS A 635 4.797 5.116 3.545 1.00 4.33 H new ATOM 0 HA HIS A 635 5.058 4.607 6.310 1.00 0.10 H new ATOM 0 HB2 HIS A 635 5.204 6.800 4.509 1.00 74.40 H new ATOM 0 HB3 HIS A 635 3.993 7.237 5.699 1.00 74.40 H new ATOM 0 HD2 HIS A 635 7.466 5.409 6.349 1.00 53.31 H new ATOM 0 HE1 HIS A 635 7.213 8.887 8.765 1.00 61.11 H new ATOM 0 HE2 HIS A 635 8.631 6.855 8.179 1.00 34.54 H new ATOM 587 N ILE A 636 2.021 5.163 5.197 1.00 41.23 N ATOM 588 CA ILE A 636 0.610 5.104 5.552 1.00 34.33 C ATOM 589 C ILE A 636 0.236 3.727 6.095 1.00 5.54 C ATOM 590 O ILE A 636 -0.276 3.607 7.208 1.00 71.44 O ATOM 591 CB ILE A 636 -0.290 5.427 4.344 1.00 5.14 C ATOM 592 CG1 ILE A 636 0.287 6.602 3.551 1.00 3.15 C ATOM 593 CG2 ILE A 636 -1.706 5.737 4.806 1.00 53.21 C ATOM 594 CD1 ILE A 636 -0.695 7.214 2.577 1.00 30.34 C ATOM 0 H ILE A 636 2.200 5.293 4.201 1.00 41.23 H new ATOM 0 HA ILE A 636 0.449 5.854 6.326 1.00 34.33 H new ATOM 0 HB ILE A 636 -0.325 4.554 3.692 1.00 5.14 H new ATOM 0 HG12 ILE A 636 0.622 7.370 4.248 1.00 3.15 H new ATOM 0 HG13 ILE A 636 1.166 6.263 3.003 1.00 3.15 H new ATOM 0 HG21 ILE A 636 -2.330 5.963 3.941 1.00 53.21 H new ATOM 0 HG22 ILE A 636 -2.114 4.874 5.332 1.00 53.21 H new ATOM 0 HG23 ILE A 636 -1.690 6.596 5.476 1.00 53.21 H new ATOM 0 HD11 ILE A 636 -0.218 8.041 2.050 1.00 30.34 H new ATOM 0 HD12 ILE A 636 -1.012 6.459 1.857 1.00 30.34 H new ATOM 0 HD13 ILE A 636 -1.564 7.584 3.121 1.00 30.34 H new ATOM 606 N ILE A 637 0.498 2.694 5.302 1.00 4.44 N ATOM 607 CA ILE A 637 0.194 1.327 5.704 1.00 35.41 C ATOM 608 C ILE A 637 0.740 1.029 7.097 1.00 41.14 C ATOM 609 O ILE A 637 -0.018 0.749 8.025 1.00 51.05 O ATOM 610 CB ILE A 637 0.771 0.304 4.708 1.00 45.31 C ATOM 611 CG1 ILE A 637 0.040 0.396 3.368 1.00 74.53 C ATOM 612 CG2 ILE A 637 0.675 -1.102 5.277 1.00 74.44 C ATOM 613 CD1 ILE A 637 0.669 1.371 2.400 1.00 44.44 C ATOM 0 H ILE A 637 0.920 2.778 4.377 1.00 4.44 H new ATOM 0 HA ILE A 637 -0.892 1.236 5.715 1.00 35.41 H new ATOM 0 HB ILE A 637 1.823 0.535 4.542 1.00 45.31 H new ATOM 0 HG12 ILE A 637 0.014 -0.592 2.909 1.00 74.53 H new ATOM 0 HG13 ILE A 637 -0.994 0.691 3.547 1.00 74.53 H new ATOM 0 HG21 ILE A 637 1.087 -1.813 4.561 1.00 74.44 H new ATOM 0 HG22 ILE A 637 1.239 -1.157 6.208 1.00 74.44 H new ATOM 0 HG23 ILE A 637 -0.370 -1.346 5.470 1.00 74.44 H new ATOM 0 HD11 ILE A 637 0.097 1.383 1.472 1.00 44.44 H new ATOM 0 HD12 ILE A 637 0.670 2.369 2.838 1.00 44.44 H new ATOM 0 HD13 ILE A 637 1.694 1.065 2.190 1.00 44.44 H new ATOM 625 N GLN A 638 2.060 1.093 7.234 1.00 23.43 N ATOM 626 CA GLN A 638 2.708 0.830 8.514 1.00 71.42 C ATOM 627 C GLN A 638 2.061 1.645 9.629 1.00 70.51 C ATOM 628 O GLN A 638 2.057 1.233 10.789 1.00 53.23 O ATOM 629 CB GLN A 638 4.201 1.154 8.430 1.00 41.04 C ATOM 630 CG GLN A 638 4.490 2.617 8.132 1.00 13.44 C ATOM 631 CD GLN A 638 5.956 2.877 7.853 1.00 45.22 C ATOM 632 OE1 GLN A 638 6.601 3.670 8.540 1.00 2.24 O ATOM 633 NE2 GLN A 638 6.494 2.208 6.839 1.00 64.31 N ATOM 0 H GLN A 638 2.702 1.324 6.476 1.00 23.43 H new ATOM 0 HA GLN A 638 2.585 -0.228 8.744 1.00 71.42 H new ATOM 0 HB2 GLN A 638 4.677 0.883 9.372 1.00 41.04 H new ATOM 0 HB3 GLN A 638 4.655 0.537 7.655 1.00 41.04 H new ATOM 0 HG2 GLN A 638 3.899 2.932 7.272 1.00 13.44 H new ATOM 0 HG3 GLN A 638 4.172 3.226 8.978 1.00 13.44 H new ATOM 0 HE21 GLN A 638 5.924 1.560 6.295 1.00 64.31 H new ATOM 0 HE22 GLN A 638 7.477 2.342 6.604 1.00 64.31 H new ATOM 642 N SER A 639 1.514 2.802 9.269 1.00 63.43 N ATOM 643 CA SER A 639 0.867 3.676 10.240 1.00 1.01 C ATOM 644 C SER A 639 -0.402 3.032 10.791 1.00 23.20 C ATOM 645 O SER A 639 -0.604 2.971 12.004 1.00 50.23 O ATOM 646 CB SER A 639 0.532 5.025 9.600 1.00 72.52 C ATOM 647 OG SER A 639 -0.864 5.269 9.627 1.00 22.55 O ATOM 0 H SER A 639 1.506 3.155 8.312 1.00 63.43 H new ATOM 0 HA SER A 639 1.560 3.836 11.066 1.00 1.01 H new ATOM 0 HB2 SER A 639 1.054 5.822 10.129 1.00 72.52 H new ATOM 0 HB3 SER A 639 0.887 5.041 8.570 1.00 72.52 H new ATOM 0 HG SER A 639 -1.284 4.852 8.846 1.00 22.55 H new ATOM 653 N ARG A 640 -1.253 2.553 9.889 1.00 21.54 N ATOM 654 CA ARG A 640 -2.502 1.914 10.283 1.00 35.44 C ATOM 655 C ARG A 640 -2.357 0.395 10.299 1.00 65.42 C ATOM 656 O ARG A 640 -3.348 -0.334 10.292 1.00 42.35 O ATOM 657 CB ARG A 640 -3.629 2.319 9.331 1.00 72.20 C ATOM 658 CG ARG A 640 -3.994 3.792 9.413 1.00 55.02 C ATOM 659 CD ARG A 640 -5.306 4.000 10.154 1.00 72.04 C ATOM 660 NE ARG A 640 -5.670 5.412 10.234 1.00 52.10 N ATOM 661 CZ ARG A 640 -5.035 6.294 10.999 1.00 73.54 C ATOM 662 NH1 ARG A 640 -4.008 5.909 11.744 1.00 2.04 N ATOM 663 NH2 ARG A 640 -5.426 7.561 11.018 1.00 64.20 N ATOM 0 H ARG A 640 -1.100 2.596 8.881 1.00 21.54 H new ATOM 0 HA ARG A 640 -2.748 2.248 11.291 1.00 35.44 H new ATOM 0 HB2 ARG A 640 -3.333 2.083 8.309 1.00 72.20 H new ATOM 0 HB3 ARG A 640 -4.513 1.721 9.553 1.00 72.20 H new ATOM 0 HG2 ARG A 640 -3.198 4.338 9.920 1.00 55.02 H new ATOM 0 HG3 ARG A 640 -4.073 4.205 8.407 1.00 55.02 H new ATOM 0 HD2 ARG A 640 -6.099 3.449 9.649 1.00 72.04 H new ATOM 0 HD3 ARG A 640 -5.223 3.589 11.160 1.00 72.04 H new ATOM 0 HE ARG A 640 -6.455 5.740 9.671 1.00 52.10 H new ATOM 0 HH11 ARG A 640 -3.705 4.935 11.730 1.00 2.04 H new ATOM 0 HH12 ARG A 640 -3.521 6.587 12.331 1.00 2.04 H new ATOM 0 HH21 ARG A 640 -6.215 7.860 10.445 1.00 64.20 H new ATOM 0 HH22 ARG A 640 -4.938 8.237 11.606 1.00 64.20 H new ATOM 677 N GLU A 641 -1.113 -0.075 10.318 1.00 2.44 N ATOM 678 CA GLU A 641 -0.838 -1.507 10.332 1.00 3.55 C ATOM 679 C GLU A 641 -0.279 -1.940 11.686 1.00 73.42 C ATOM 680 O GLU A 641 0.925 -1.893 11.932 1.00 3.14 O ATOM 681 CB GLU A 641 0.150 -1.869 9.222 1.00 70.33 C ATOM 682 CG GLU A 641 0.428 -3.360 9.118 1.00 40.51 C ATOM 683 CD GLU A 641 -0.421 -4.039 8.061 1.00 21.21 C ATOM 684 OE1 GLU A 641 -1.594 -4.353 8.354 1.00 51.22 O ATOM 685 OE2 GLU A 641 0.088 -4.258 6.942 1.00 53.25 O ATOM 0 H GLU A 641 -0.281 0.515 10.324 1.00 2.44 H new ATOM 0 HA GLU A 641 -1.777 -2.034 10.160 1.00 3.55 H new ATOM 0 HB2 GLU A 641 -0.241 -1.513 8.269 1.00 70.33 H new ATOM 0 HB3 GLU A 641 1.089 -1.344 9.397 1.00 70.33 H new ATOM 0 HG2 GLU A 641 1.482 -3.514 8.886 1.00 40.51 H new ATOM 0 HG3 GLU A 641 0.242 -3.829 10.084 1.00 40.51 H new ATOM 797 N PRO A 649 12.827 -0.694 10.360 1.00 15.33 N ATOM 798 CA PRO A 649 11.901 0.257 9.738 1.00 51.13 C ATOM 799 C PRO A 649 12.059 0.313 8.222 1.00 12.01 C ATOM 800 O PRO A 649 11.267 0.952 7.530 1.00 72.04 O ATOM 801 CB PRO A 649 12.294 1.597 10.366 1.00 30.22 C ATOM 802 CG PRO A 649 13.721 1.426 10.760 1.00 22.03 C ATOM 803 CD PRO A 649 13.874 -0.020 11.144 1.00 2.54 C ATOM 0 HA PRO A 649 10.860 -0.019 9.905 1.00 51.13 H new ATOM 0 HB2 PRO A 649 12.174 2.417 9.658 1.00 30.22 H new ATOM 0 HB3 PRO A 649 11.670 1.828 11.229 1.00 30.22 H new ATOM 0 HG2 PRO A 649 14.387 1.684 9.936 1.00 22.03 H new ATOM 0 HG3 PRO A 649 13.977 2.080 11.593 1.00 22.03 H new ATOM 0 HD2 PRO A 649 14.866 -0.398 10.898 1.00 2.54 H new ATOM 0 HD3 PRO A 649 13.733 -0.169 12.215 1.00 2.54 H new ATOM 811 N ASP A 650 13.085 -0.360 7.714 1.00 71.22 N ATOM 812 CA ASP A 650 13.345 -0.388 6.279 1.00 31.23 C ATOM 813 C ASP A 650 12.648 -1.576 5.624 1.00 1.42 C ATOM 814 O ASP A 650 13.045 -2.024 4.549 1.00 2.21 O ATOM 815 CB ASP A 650 14.850 -0.453 6.014 1.00 63.20 C ATOM 816 CG ASP A 650 15.664 0.149 7.142 1.00 22.50 C ATOM 817 OD1 ASP A 650 15.792 -0.508 8.197 1.00 74.04 O ATOM 818 OD2 ASP A 650 16.172 1.277 6.971 1.00 72.22 O ATOM 0 H ASP A 650 13.750 -0.893 8.274 1.00 71.22 H new ATOM 0 HA ASP A 650 12.947 0.528 5.844 1.00 31.23 H new ATOM 0 HB2 ASP A 650 15.146 -1.492 5.871 1.00 63.20 H new ATOM 0 HB3 ASP A 650 15.075 0.073 5.086 1.00 63.20 H new ATOM 823 N GLU A 651 11.608 -2.082 6.280 1.00 43.01 N ATOM 824 CA GLU A 651 10.858 -3.219 5.761 1.00 21.40 C ATOM 825 C GLU A 651 9.391 -3.137 6.173 1.00 14.24 C ATOM 826 O GLU A 651 9.075 -2.834 7.325 1.00 50.13 O ATOM 827 CB GLU A 651 11.468 -4.531 6.261 1.00 55.22 C ATOM 828 CG GLU A 651 10.813 -5.769 5.670 1.00 45.43 C ATOM 829 CD GLU A 651 11.552 -7.044 6.027 1.00 73.15 C ATOM 830 OE1 GLU A 651 12.779 -7.101 5.801 1.00 24.23 O ATOM 831 OE2 GLU A 651 10.904 -7.986 6.529 1.00 53.43 O ATOM 0 H GLU A 651 11.266 -1.722 7.171 1.00 43.01 H new ATOM 0 HA GLU A 651 10.913 -3.192 4.673 1.00 21.40 H new ATOM 0 HB2 GLU A 651 12.531 -4.543 6.021 1.00 55.22 H new ATOM 0 HB3 GLU A 651 11.386 -4.570 7.347 1.00 55.22 H new ATOM 0 HG2 GLU A 651 9.785 -5.837 6.026 1.00 45.43 H new ATOM 0 HG3 GLU A 651 10.769 -5.670 4.585 1.00 45.43 H new ATOM 838 N ILE A 652 8.500 -3.408 5.226 1.00 2.13 N ATOM 839 CA ILE A 652 7.067 -3.366 5.490 1.00 41.20 C ATOM 840 C ILE A 652 6.335 -4.461 4.724 1.00 54.11 C ATOM 841 O ILE A 652 6.705 -4.801 3.602 1.00 73.34 O ATOM 842 CB ILE A 652 6.466 -1.999 5.113 1.00 74.55 C ATOM 843 CG1 ILE A 652 5.499 -1.525 6.199 1.00 14.23 C ATOM 844 CG2 ILE A 652 5.758 -2.086 3.767 1.00 11.25 C ATOM 845 CD1 ILE A 652 4.168 -1.051 5.659 1.00 31.32 C ATOM 0 H ILE A 652 8.745 -3.659 4.268 1.00 2.13 H new ATOM 0 HA ILE A 652 6.937 -3.527 6.560 1.00 41.20 H new ATOM 0 HB ILE A 652 7.275 -1.273 5.031 1.00 74.55 H new ATOM 0 HG12 ILE A 652 5.327 -2.340 6.902 1.00 14.23 H new ATOM 0 HG13 ILE A 652 5.964 -0.714 6.759 1.00 14.23 H new ATOM 0 HG21 ILE A 652 5.338 -1.113 3.513 1.00 11.25 H new ATOM 0 HG22 ILE A 652 6.472 -2.385 2.999 1.00 11.25 H new ATOM 0 HG23 ILE A 652 4.957 -2.823 3.824 1.00 11.25 H new ATOM 0 HD11 ILE A 652 3.534 -0.730 6.485 1.00 31.32 H new ATOM 0 HD12 ILE A 652 4.328 -0.215 4.979 1.00 31.32 H new ATOM 0 HD13 ILE A 652 3.681 -1.866 5.123 1.00 31.32 H new ATOM 857 N GLU A 653 5.290 -5.008 5.339 1.00 62.43 N ATOM 858 CA GLU A 653 4.505 -6.065 4.713 1.00 35.52 C ATOM 859 C GLU A 653 3.058 -5.623 4.514 1.00 3.31 C ATOM 860 O GLU A 653 2.245 -5.686 5.437 1.00 3.42 O ATOM 861 CB GLU A 653 4.547 -7.336 5.566 1.00 53.43 C ATOM 862 CG GLU A 653 4.608 -8.616 4.749 1.00 52.22 C ATOM 863 CD GLU A 653 4.522 -9.862 5.608 1.00 2.12 C ATOM 864 OE1 GLU A 653 3.861 -9.809 6.667 1.00 44.43 O ATOM 865 OE2 GLU A 653 5.117 -10.890 5.222 1.00 1.43 O ATOM 0 H GLU A 653 4.969 -4.737 6.268 1.00 62.43 H new ATOM 0 HA GLU A 653 4.941 -6.276 3.737 1.00 35.52 H new ATOM 0 HB2 GLU A 653 5.415 -7.293 6.224 1.00 53.43 H new ATOM 0 HB3 GLU A 653 3.664 -7.364 6.204 1.00 53.43 H new ATOM 0 HG2 GLU A 653 3.792 -8.620 4.027 1.00 52.22 H new ATOM 0 HG3 GLU A 653 5.537 -8.635 4.180 1.00 52.22 H new ATOM 872 N ILE A 654 2.745 -5.174 3.303 1.00 2.12 N ATOM 873 CA ILE A 654 1.397 -4.721 2.981 1.00 31.03 C ATOM 874 C ILE A 654 0.537 -5.871 2.470 1.00 61.12 C ATOM 875 O ILE A 654 0.733 -6.358 1.356 1.00 10.12 O ATOM 876 CB ILE A 654 1.417 -3.600 1.925 1.00 35.35 C ATOM 877 CG1 ILE A 654 2.361 -2.477 2.359 1.00 10.13 C ATOM 878 CG2 ILE A 654 0.013 -3.060 1.698 1.00 33.43 C ATOM 879 CD1 ILE A 654 2.373 -1.298 1.412 1.00 14.31 C ATOM 0 H ILE A 654 3.406 -5.114 2.529 1.00 2.12 H new ATOM 0 HA ILE A 654 0.967 -4.332 3.904 1.00 31.03 H new ATOM 0 HB ILE A 654 1.782 -4.014 0.985 1.00 35.35 H new ATOM 0 HG12 ILE A 654 2.071 -2.132 3.352 1.00 10.13 H new ATOM 0 HG13 ILE A 654 3.372 -2.875 2.443 1.00 10.13 H new ATOM 0 HG21 ILE A 654 0.044 -2.269 0.949 1.00 33.43 H new ATOM 0 HG22 ILE A 654 -0.634 -3.865 1.349 1.00 33.43 H new ATOM 0 HG23 ILE A 654 -0.378 -2.659 2.633 1.00 33.43 H new ATOM 0 HD11 ILE A 654 3.064 -0.541 1.783 1.00 14.31 H new ATOM 0 HD12 ILE A 654 2.693 -1.628 0.424 1.00 14.31 H new ATOM 0 HD13 ILE A 654 1.371 -0.874 1.346 1.00 14.31 H new ATOM 891 N ASP A 655 -0.416 -6.300 3.289 1.00 34.34 N ATOM 892 CA ASP A 655 -1.309 -7.392 2.918 1.00 21.22 C ATOM 893 C ASP A 655 -2.764 -6.936 2.943 1.00 75.42 C ATOM 894 O ASP A 655 -3.360 -6.784 4.009 1.00 33.25 O ATOM 895 CB ASP A 655 -1.117 -8.580 3.863 1.00 13.32 C ATOM 896 CG ASP A 655 0.224 -8.546 4.572 1.00 51.22 C ATOM 897 OD1 ASP A 655 0.348 -7.807 5.572 1.00 63.34 O ATOM 898 OD2 ASP A 655 1.147 -9.257 4.126 1.00 64.01 O ATOM 0 H ASP A 655 -0.591 -5.909 4.215 1.00 34.34 H new ATOM 0 HA ASP A 655 -1.062 -7.702 1.903 1.00 21.22 H new ATOM 0 HB2 ASP A 655 -1.916 -8.584 4.604 1.00 13.32 H new ATOM 0 HB3 ASP A 655 -1.202 -9.508 3.297 1.00 13.32 H new ATOM 903 N PHE A 656 -3.331 -6.719 1.761 1.00 52.14 N ATOM 904 CA PHE A 656 -4.717 -6.278 1.647 1.00 65.22 C ATOM 905 C PHE A 656 -5.670 -7.333 2.200 1.00 11.12 C ATOM 906 O PHE A 656 -6.843 -7.055 2.445 1.00 35.41 O ATOM 907 CB PHE A 656 -5.060 -5.980 0.186 1.00 72.21 C ATOM 908 CG PHE A 656 -4.387 -4.749 -0.350 1.00 5.42 C ATOM 909 CD1 PHE A 656 -4.303 -3.600 0.420 1.00 51.24 C ATOM 910 CD2 PHE A 656 -3.836 -4.742 -1.621 1.00 0.40 C ATOM 911 CE1 PHE A 656 -3.685 -2.465 -0.071 1.00 63.12 C ATOM 912 CE2 PHE A 656 -3.216 -3.610 -2.117 1.00 50.32 C ATOM 913 CZ PHE A 656 -3.139 -2.470 -1.341 1.00 35.43 C ATOM 0 H PHE A 656 -2.853 -6.841 0.868 1.00 52.14 H new ATOM 0 HA PHE A 656 -4.832 -5.367 2.234 1.00 65.22 H new ATOM 0 HB2 PHE A 656 -4.776 -6.835 -0.427 1.00 72.21 H new ATOM 0 HB3 PHE A 656 -6.140 -5.864 0.091 1.00 72.21 H new ATOM 0 HD1 PHE A 656 -4.725 -3.591 1.414 1.00 51.24 H new ATOM 0 HD2 PHE A 656 -3.891 -5.631 -2.232 1.00 0.40 H new ATOM 0 HE1 PHE A 656 -3.629 -1.575 0.538 1.00 63.12 H new ATOM 0 HE2 PHE A 656 -2.792 -3.617 -3.110 1.00 50.32 H new ATOM 0 HZ PHE A 656 -2.654 -1.585 -1.725 1.00 35.43 H new ATOM 923 N GLU A 657 -5.156 -8.543 2.394 1.00 20.52 N ATOM 924 CA GLU A 657 -5.962 -9.640 2.918 1.00 63.14 C ATOM 925 C GLU A 657 -6.291 -9.419 4.392 1.00 64.53 C ATOM 926 O GLU A 657 -7.297 -9.917 4.898 1.00 44.25 O ATOM 927 CB GLU A 657 -5.229 -10.972 2.741 1.00 4.23 C ATOM 928 CG GLU A 657 -6.103 -12.187 2.996 1.00 14.33 C ATOM 929 CD GLU A 657 -6.608 -12.821 1.715 1.00 60.33 C ATOM 930 OE1 GLU A 657 -7.687 -12.412 1.236 1.00 60.12 O ATOM 931 OE2 GLU A 657 -5.927 -13.727 1.192 1.00 61.40 O ATOM 0 H GLU A 657 -4.186 -8.789 2.197 1.00 20.52 H new ATOM 0 HA GLU A 657 -6.896 -9.670 2.356 1.00 63.14 H new ATOM 0 HB2 GLU A 657 -4.833 -11.027 1.727 1.00 4.23 H new ATOM 0 HB3 GLU A 657 -4.376 -11.000 3.419 1.00 4.23 H new ATOM 0 HG2 GLU A 657 -5.536 -12.925 3.563 1.00 14.33 H new ATOM 0 HG3 GLU A 657 -6.953 -11.895 3.612 1.00 14.33 H new ATOM 938 N THR A 658 -5.432 -8.670 5.077 1.00 54.52 N ATOM 939 CA THR A 658 -5.628 -8.383 6.492 1.00 13.23 C ATOM 940 C THR A 658 -5.789 -6.886 6.733 1.00 31.41 C ATOM 941 O THR A 658 -6.395 -6.468 7.720 1.00 12.22 O ATOM 942 CB THR A 658 -4.453 -8.905 7.340 1.00 41.04 C ATOM 943 OG1 THR A 658 -4.783 -8.834 8.731 1.00 65.41 O ATOM 944 CG2 THR A 658 -3.192 -8.097 7.070 1.00 32.22 C ATOM 0 H THR A 658 -4.594 -8.251 4.674 1.00 54.52 H new ATOM 0 HA THR A 658 -6.540 -8.897 6.795 1.00 13.23 H new ATOM 0 HB THR A 658 -4.267 -9.943 7.065 1.00 41.04 H new ATOM 0 HG1 THR A 658 -4.031 -9.169 9.263 1.00 65.41 H new ATOM 0 HG21 THR A 658 -2.375 -8.483 7.680 1.00 32.22 H new ATOM 0 HG22 THR A 658 -2.927 -8.177 6.016 1.00 32.22 H new ATOM 0 HG23 THR A 658 -3.369 -7.051 7.321 1.00 32.22 H new ATOM 952 N LEU A 659 -5.243 -6.084 5.827 1.00 54.54 N ATOM 953 CA LEU A 659 -5.327 -4.632 5.940 1.00 22.44 C ATOM 954 C LEU A 659 -6.777 -4.179 6.075 1.00 2.24 C ATOM 955 O LEU A 659 -7.703 -4.911 5.726 1.00 52.23 O ATOM 956 CB LEU A 659 -4.685 -3.967 4.722 1.00 62.34 C ATOM 957 CG LEU A 659 -3.165 -3.805 4.768 1.00 4.32 C ATOM 958 CD1 LEU A 659 -2.580 -3.844 3.365 1.00 13.31 C ATOM 959 CD2 LEU A 659 -2.789 -2.507 5.468 1.00 21.14 C ATOM 0 H LEU A 659 -4.737 -6.414 5.005 1.00 54.54 H new ATOM 0 HA LEU A 659 -4.786 -4.331 6.837 1.00 22.44 H new ATOM 0 HB2 LEU A 659 -4.941 -4.550 3.838 1.00 62.34 H new ATOM 0 HB3 LEU A 659 -5.132 -2.981 4.594 1.00 62.34 H new ATOM 0 HG LEU A 659 -2.748 -4.636 5.336 1.00 4.32 H new ATOM 0 HD11 LEU A 659 -1.498 -3.727 3.419 1.00 13.31 H new ATOM 0 HD12 LEU A 659 -2.819 -4.799 2.898 1.00 13.31 H new ATOM 0 HD13 LEU A 659 -3.003 -3.034 2.772 1.00 13.31 H new ATOM 0 HD21 LEU A 659 -1.704 -2.408 5.492 1.00 21.14 H new ATOM 0 HD22 LEU A 659 -3.219 -1.664 4.927 1.00 21.14 H new ATOM 0 HD23 LEU A 659 -3.175 -2.518 6.487 1.00 21.14 H new ATOM 971 N LYS A 660 -6.968 -2.966 6.584 1.00 62.35 N ATOM 972 CA LYS A 660 -8.304 -2.412 6.763 1.00 32.21 C ATOM 973 C LYS A 660 -8.754 -1.662 5.513 1.00 24.10 C ATOM 974 O LYS A 660 -7.949 -1.298 4.656 1.00 72.03 O ATOM 975 CB LYS A 660 -8.332 -1.474 7.972 1.00 74.21 C ATOM 976 CG LYS A 660 -8.856 -2.129 9.238 1.00 23.42 C ATOM 977 CD LYS A 660 -8.320 -1.443 10.483 1.00 53.41 C ATOM 978 CE LYS A 660 -9.438 -1.095 11.453 1.00 34.23 C ATOM 979 NZ LYS A 660 -9.874 -2.279 12.246 1.00 50.53 N ATOM 0 H LYS A 660 -6.213 -2.348 6.880 1.00 62.35 H new ATOM 0 HA LYS A 660 -8.993 -3.239 6.937 1.00 32.21 H new ATOM 0 HB2 LYS A 660 -7.324 -1.102 8.156 1.00 74.21 H new ATOM 0 HB3 LYS A 660 -8.953 -0.610 7.736 1.00 74.21 H new ATOM 0 HG2 LYS A 660 -9.945 -2.094 9.243 1.00 23.42 H new ATOM 0 HG3 LYS A 660 -8.571 -3.181 9.250 1.00 23.42 H new ATOM 0 HD2 LYS A 660 -7.599 -2.094 10.976 1.00 53.41 H new ATOM 0 HD3 LYS A 660 -7.788 -0.535 10.199 1.00 53.41 H new ATOM 0 HE2 LYS A 660 -9.101 -0.309 12.129 1.00 34.23 H new ATOM 0 HE3 LYS A 660 -10.288 -0.696 10.899 1.00 34.23 H new ATOM 0 HZ1 LYS A 660 -10.637 -2.000 12.895 1.00 50.53 H new ATOM 0 HZ2 LYS A 660 -10.220 -3.019 11.603 1.00 50.53 H new ATOM 0 HZ3 LYS A 660 -9.070 -2.645 12.794 1.00 50.53 H new ATOM 993 N PRO A 661 -10.070 -1.423 5.407 1.00 62.01 N ATOM 994 CA PRO A 661 -10.655 -0.711 4.266 1.00 20.50 C ATOM 995 C PRO A 661 -10.286 0.768 4.254 1.00 63.31 C ATOM 996 O PRO A 661 -10.267 1.404 3.200 1.00 63.21 O ATOM 997 CB PRO A 661 -12.161 -0.885 4.476 1.00 74.24 C ATOM 998 CG PRO A 661 -12.319 -1.093 5.943 1.00 44.43 C ATOM 999 CD PRO A 661 -11.086 -1.829 6.392 1.00 54.51 C ATOM 0 HA PRO A 661 -10.295 -1.100 3.314 1.00 20.50 H new ATOM 0 HB2 PRO A 661 -12.711 -0.006 4.139 1.00 74.24 H new ATOM 0 HB3 PRO A 661 -12.543 -1.736 3.912 1.00 74.24 H new ATOM 0 HG2 PRO A 661 -12.416 -0.141 6.464 1.00 44.43 H new ATOM 0 HG3 PRO A 661 -13.218 -1.669 6.161 1.00 44.43 H new ATOM 0 HD2 PRO A 661 -10.798 -1.550 7.405 1.00 54.51 H new ATOM 0 HD3 PRO A 661 -11.239 -2.908 6.390 1.00 54.51 H new ATOM 1007 N SER A 662 -9.992 1.310 5.432 1.00 75.42 N ATOM 1008 CA SER A 662 -9.627 2.716 5.557 1.00 74.33 C ATOM 1009 C SER A 662 -8.248 2.974 4.957 1.00 52.05 C ATOM 1010 O SER A 662 -8.086 3.832 4.089 1.00 64.03 O ATOM 1011 CB SER A 662 -9.644 3.140 7.026 1.00 12.20 C ATOM 1012 OG SER A 662 -8.728 4.196 7.262 1.00 21.54 O ATOM 0 H SER A 662 -10.000 0.796 6.313 1.00 75.42 H new ATOM 0 HA SER A 662 -10.360 3.307 5.007 1.00 74.33 H new ATOM 0 HB2 SER A 662 -10.649 3.457 7.305 1.00 12.20 H new ATOM 0 HB3 SER A 662 -9.392 2.288 7.657 1.00 12.20 H new ATOM 0 HG SER A 662 -8.759 4.450 8.208 1.00 21.54 H new ATOM 1018 N THR A 663 -7.256 2.223 5.426 1.00 43.41 N ATOM 1019 CA THR A 663 -5.891 2.371 4.938 1.00 61.14 C ATOM 1020 C THR A 663 -5.822 2.170 3.428 1.00 1.44 C ATOM 1021 O THR A 663 -5.105 2.888 2.728 1.00 11.21 O ATOM 1022 CB THR A 663 -4.939 1.371 5.621 1.00 74.41 C ATOM 1023 OG1 THR A 663 -5.213 1.314 7.025 1.00 43.31 O ATOM 1024 CG2 THR A 663 -3.487 1.766 5.398 1.00 71.24 C ATOM 0 H THR A 663 -7.373 1.507 6.143 1.00 43.41 H new ATOM 0 HA THR A 663 -5.577 3.386 5.182 1.00 61.14 H new ATOM 0 HB THR A 663 -5.103 0.388 5.179 1.00 74.41 H new ATOM 0 HG1 THR A 663 -4.721 0.567 7.424 1.00 43.31 H new ATOM 0 HG21 THR A 663 -2.834 1.045 5.890 1.00 71.24 H new ATOM 0 HG22 THR A 663 -3.274 1.779 4.329 1.00 71.24 H new ATOM 0 HG23 THR A 663 -3.312 2.758 5.815 1.00 71.24 H new ATOM 1032 N LEU A 664 -6.570 1.192 2.931 1.00 73.01 N ATOM 1033 CA LEU A 664 -6.594 0.897 1.503 1.00 75.15 C ATOM 1034 C LEU A 664 -6.950 2.141 0.696 1.00 53.43 C ATOM 1035 O LEU A 664 -6.298 2.456 -0.299 1.00 43.32 O ATOM 1036 CB LEU A 664 -7.598 -0.219 1.209 1.00 30.22 C ATOM 1037 CG LEU A 664 -7.003 -1.570 0.810 1.00 44.41 C ATOM 1038 CD1 LEU A 664 -7.194 -2.588 1.924 1.00 50.22 C ATOM 1039 CD2 LEU A 664 -7.630 -2.068 -0.484 1.00 3.32 C ATOM 0 H LEU A 664 -7.168 0.589 3.496 1.00 73.01 H new ATOM 0 HA LEU A 664 -5.597 0.568 1.209 1.00 75.15 H new ATOM 0 HB2 LEU A 664 -8.218 -0.365 2.094 1.00 30.22 H new ATOM 0 HB3 LEU A 664 -8.258 0.115 0.409 1.00 30.22 H new ATOM 0 HG LEU A 664 -5.933 -1.440 0.645 1.00 44.41 H new ATOM 0 HD11 LEU A 664 -6.764 -3.543 1.622 1.00 50.22 H new ATOM 0 HD12 LEU A 664 -6.697 -2.236 2.828 1.00 50.22 H new ATOM 0 HD13 LEU A 664 -8.258 -2.715 2.122 1.00 50.22 H new ATOM 0 HD21 LEU A 664 -7.194 -3.030 -0.753 1.00 3.32 H new ATOM 0 HD22 LEU A 664 -8.705 -2.182 -0.347 1.00 3.32 H new ATOM 0 HD23 LEU A 664 -7.440 -1.349 -1.281 1.00 3.32 H new ATOM 1051 N ARG A 665 -7.989 2.847 1.134 1.00 44.43 N ATOM 1052 CA ARG A 665 -8.430 4.059 0.453 1.00 21.44 C ATOM 1053 C ARG A 665 -7.424 5.189 0.647 1.00 4.41 C ATOM 1054 O ARG A 665 -7.222 6.013 -0.246 1.00 32.25 O ATOM 1055 CB ARG A 665 -9.803 4.489 0.972 1.00 34.03 C ATOM 1056 CG ARG A 665 -10.514 5.480 0.066 1.00 53.35 C ATOM 1057 CD ARG A 665 -12.020 5.446 0.275 1.00 11.30 C ATOM 1058 NE ARG A 665 -12.436 6.282 1.399 1.00 64.43 N ATOM 1059 CZ ARG A 665 -13.608 6.159 2.011 1.00 53.03 C ATOM 1060 NH1 ARG A 665 -14.475 5.240 1.612 1.00 75.23 N ATOM 1061 NH2 ARG A 665 -13.914 6.958 3.027 1.00 72.43 N ATOM 0 H ARG A 665 -8.540 2.601 1.956 1.00 44.43 H new ATOM 0 HA ARG A 665 -8.503 3.841 -0.612 1.00 21.44 H new ATOM 0 HB2 ARG A 665 -10.430 3.605 1.092 1.00 34.03 H new ATOM 0 HB3 ARG A 665 -9.686 4.933 1.960 1.00 34.03 H new ATOM 0 HG2 ARG A 665 -10.141 6.485 0.262 1.00 53.35 H new ATOM 0 HG3 ARG A 665 -10.285 5.252 -0.975 1.00 53.35 H new ATOM 0 HD2 ARG A 665 -12.520 5.784 -0.633 1.00 11.30 H new ATOM 0 HD3 ARG A 665 -12.339 4.418 0.450 1.00 11.30 H new ATOM 0 HE ARG A 665 -11.791 6.999 1.732 1.00 64.43 H new ATOM 0 HH11 ARG A 665 -14.243 4.624 0.833 1.00 75.23 H new ATOM 0 HH12 ARG A 665 -15.374 5.148 2.084 1.00 75.23 H new ATOM 0 HH21 ARG A 665 -13.249 7.666 3.337 1.00 72.43 H new ATOM 0 HH22 ARG A 665 -14.814 6.863 3.497 1.00 72.43 H new ATOM 1075 N GLU A 666 -6.796 5.221 1.818 1.00 4.20 N ATOM 1076 CA GLU A 666 -5.812 6.252 2.129 1.00 53.13 C ATOM 1077 C GLU A 666 -4.758 6.347 1.028 1.00 32.24 C ATOM 1078 O GLU A 666 -4.400 7.440 0.589 1.00 54.41 O ATOM 1079 CB GLU A 666 -5.138 5.958 3.470 1.00 35.14 C ATOM 1080 CG GLU A 666 -4.718 7.207 4.227 1.00 53.04 C ATOM 1081 CD GLU A 666 -4.969 7.098 5.719 1.00 53.13 C ATOM 1082 OE1 GLU A 666 -5.993 6.497 6.105 1.00 74.25 O ATOM 1083 OE2 GLU A 666 -4.143 7.614 6.499 1.00 24.20 O ATOM 0 H GLU A 666 -6.951 4.546 2.567 1.00 4.20 H new ATOM 0 HA GLU A 666 -6.333 7.207 2.194 1.00 53.13 H new ATOM 0 HB2 GLU A 666 -5.821 5.379 4.091 1.00 35.14 H new ATOM 0 HB3 GLU A 666 -4.260 5.336 3.297 1.00 35.14 H new ATOM 0 HG2 GLU A 666 -3.658 7.393 4.053 1.00 53.04 H new ATOM 0 HG3 GLU A 666 -5.261 8.066 3.833 1.00 53.04 H new ATOM 1090 N LEU A 667 -4.265 5.194 0.589 1.00 11.50 N ATOM 1091 CA LEU A 667 -3.252 5.146 -0.460 1.00 21.12 C ATOM 1092 C LEU A 667 -3.823 5.623 -1.791 1.00 40.21 C ATOM 1093 O LEU A 667 -3.231 6.465 -2.465 1.00 25.33 O ATOM 1094 CB LEU A 667 -2.709 3.724 -0.605 1.00 25.40 C ATOM 1095 CG LEU A 667 -2.555 2.928 0.692 1.00 43.42 C ATOM 1096 CD1 LEU A 667 -1.856 1.604 0.426 1.00 40.14 C ATOM 1097 CD2 LEU A 667 -1.788 3.739 1.727 1.00 30.00 C ATOM 0 H LEU A 667 -4.550 4.281 0.943 1.00 11.50 H new ATOM 0 HA LEU A 667 -2.438 5.813 -0.176 1.00 21.12 H new ATOM 0 HB2 LEU A 667 -3.371 3.170 -1.271 1.00 25.40 H new ATOM 0 HB3 LEU A 667 -1.736 3.776 -1.093 1.00 25.40 H new ATOM 0 HG LEU A 667 -3.549 2.718 1.087 1.00 43.42 H new ATOM 0 HD11 LEU A 667 -1.755 1.052 1.360 1.00 40.14 H new ATOM 0 HD12 LEU A 667 -2.444 1.018 -0.281 1.00 40.14 H new ATOM 0 HD13 LEU A 667 -0.867 1.792 0.007 1.00 40.14 H new ATOM 0 HD21 LEU A 667 -1.688 3.157 2.643 1.00 30.00 H new ATOM 0 HD22 LEU A 667 -0.798 3.980 1.340 1.00 30.00 H new ATOM 0 HD23 LEU A 667 -2.328 4.661 1.940 1.00 30.00 H new ATOM 1109 N GLU A 668 -4.978 5.081 -2.162 1.00 74.35 N ATOM 1110 CA GLU A 668 -5.630 5.452 -3.413 1.00 1.22 C ATOM 1111 C GLU A 668 -5.857 6.960 -3.480 1.00 71.55 C ATOM 1112 O GLU A 668 -5.914 7.542 -4.564 1.00 34.14 O ATOM 1113 CB GLU A 668 -6.964 4.717 -3.558 1.00 2.43 C ATOM 1114 CG GLU A 668 -7.555 4.799 -4.955 1.00 21.32 C ATOM 1115 CD GLU A 668 -9.017 4.398 -4.994 1.00 0.05 C ATOM 1116 OE1 GLU A 668 -9.585 4.118 -3.918 1.00 31.21 O ATOM 1117 OE2 GLU A 668 -9.593 4.365 -6.102 1.00 24.43 O ATOM 0 H GLU A 668 -5.482 4.383 -1.614 1.00 74.35 H new ATOM 0 HA GLU A 668 -4.975 5.163 -4.234 1.00 1.22 H new ATOM 0 HB2 GLU A 668 -6.823 3.669 -3.293 1.00 2.43 H new ATOM 0 HB3 GLU A 668 -7.677 5.132 -2.846 1.00 2.43 H new ATOM 0 HG2 GLU A 668 -7.451 5.817 -5.330 1.00 21.32 H new ATOM 0 HG3 GLU A 668 -6.987 4.153 -5.624 1.00 21.32 H new ATOM 1124 N ARG A 669 -5.987 7.585 -2.315 1.00 53.41 N ATOM 1125 CA ARG A 669 -6.211 9.024 -2.241 1.00 65.21 C ATOM 1126 C ARG A 669 -4.929 9.790 -2.555 1.00 21.12 C ATOM 1127 O ARG A 669 -4.969 10.871 -3.143 1.00 45.10 O ATOM 1128 CB ARG A 669 -6.721 9.412 -0.851 1.00 40.14 C ATOM 1129 CG ARG A 669 -7.862 10.415 -0.881 1.00 0.11 C ATOM 1130 CD ARG A 669 -9.183 9.768 -0.498 1.00 74.43 C ATOM 1131 NE ARG A 669 -9.386 9.748 0.948 1.00 4.41 N ATOM 1132 CZ ARG A 669 -9.759 10.812 1.651 1.00 31.24 C ATOM 1133 NH1 ARG A 669 -9.971 11.971 1.045 1.00 43.53 N ATOM 1134 NH2 ARG A 669 -9.923 10.716 2.966 1.00 51.04 N ATOM 0 H ARG A 669 -5.941 7.118 -1.409 1.00 53.41 H new ATOM 0 HA ARG A 669 -6.964 9.288 -2.984 1.00 65.21 H new ATOM 0 HB2 ARG A 669 -7.052 8.513 -0.330 1.00 40.14 H new ATOM 0 HB3 ARG A 669 -5.896 9.830 -0.274 1.00 40.14 H new ATOM 0 HG2 ARG A 669 -7.645 11.235 -0.196 1.00 0.11 H new ATOM 0 HG3 ARG A 669 -7.943 10.846 -1.879 1.00 0.11 H new ATOM 0 HD2 ARG A 669 -10.002 10.310 -0.971 1.00 74.43 H new ATOM 0 HD3 ARG A 669 -9.211 8.748 -0.882 1.00 74.43 H new ATOM 0 HE ARG A 669 -9.233 8.870 1.445 1.00 4.41 H new ATOM 0 HH11 ARG A 669 -9.848 12.049 0.035 1.00 43.53 H new ATOM 0 HH12 ARG A 669 -10.257 12.786 1.588 1.00 43.53 H new ATOM 0 HH21 ARG A 669 -9.763 9.825 3.436 1.00 51.04 H new ATOM 0 HH22 ARG A 669 -10.209 11.533 3.505 1.00 51.04 H new ATOM 1148 N TYR A 670 -3.794 9.224 -2.159 1.00 74.43 N ATOM 1149 CA TYR A 670 -2.501 9.854 -2.396 1.00 53.14 C ATOM 1150 C TYR A 670 -2.043 9.633 -3.835 1.00 24.33 C ATOM 1151 O TYR A 670 -1.612 10.566 -4.512 1.00 14.45 O ATOM 1152 CB TYR A 670 -1.456 9.303 -1.425 1.00 22.20 C ATOM 1153 CG TYR A 670 -1.412 10.035 -0.103 1.00 64.42 C ATOM 1154 CD1 TYR A 670 -2.541 10.122 0.703 1.00 63.35 C ATOM 1155 CD2 TYR A 670 -0.242 10.639 0.340 1.00 33.20 C ATOM 1156 CE1 TYR A 670 -2.505 10.791 1.911 1.00 73.32 C ATOM 1157 CE2 TYR A 670 -0.197 11.308 1.548 1.00 14.33 C ATOM 1158 CZ TYR A 670 -1.331 11.381 2.329 1.00 34.43 C ATOM 1159 OH TYR A 670 -1.291 12.047 3.533 1.00 52.31 O ATOM 0 H TYR A 670 -3.744 8.329 -1.672 1.00 74.43 H new ATOM 0 HA TYR A 670 -2.611 10.926 -2.230 1.00 53.14 H new ATOM 0 HB2 TYR A 670 -1.664 8.249 -1.240 1.00 22.20 H new ATOM 0 HB3 TYR A 670 -0.473 9.357 -1.893 1.00 22.20 H new ATOM 0 HD1 TYR A 670 -3.462 9.659 0.380 1.00 63.35 H new ATOM 0 HD2 TYR A 670 0.647 10.585 -0.270 1.00 33.20 H new ATOM 0 HE1 TYR A 670 -3.392 10.852 2.525 1.00 73.32 H new ATOM 0 HE2 TYR A 670 0.721 11.771 1.879 1.00 14.33 H new ATOM 0 HH TYR A 670 -0.390 12.404 3.680 1.00 52.31 H new ATOM 1169 N VAL A 671 -2.140 8.390 -4.296 1.00 24.35 N ATOM 1170 CA VAL A 671 -1.737 8.044 -5.653 1.00 45.32 C ATOM 1171 C VAL A 671 -2.488 8.885 -6.680 1.00 73.10 C ATOM 1172 O VAL A 671 -1.953 9.220 -7.737 1.00 22.52 O ATOM 1173 CB VAL A 671 -1.981 6.553 -5.949 1.00 31.21 C ATOM 1174 CG1 VAL A 671 -3.472 6.262 -6.032 1.00 54.23 C ATOM 1175 CG2 VAL A 671 -1.277 6.142 -7.233 1.00 42.12 C ATOM 0 H VAL A 671 -2.495 7.606 -3.749 1.00 24.35 H new ATOM 0 HA VAL A 671 -0.669 8.251 -5.728 1.00 45.32 H new ATOM 0 HB VAL A 671 -1.565 5.966 -5.130 1.00 31.21 H new ATOM 0 HG11 VAL A 671 -3.625 5.203 -6.242 1.00 54.23 H new ATOM 0 HG12 VAL A 671 -3.946 6.516 -5.084 1.00 54.23 H new ATOM 0 HG13 VAL A 671 -3.915 6.858 -6.830 1.00 54.23 H new ATOM 0 HG21 VAL A 671 -1.461 5.085 -7.426 1.00 42.12 H new ATOM 0 HG22 VAL A 671 -1.660 6.735 -8.064 1.00 42.12 H new ATOM 0 HG23 VAL A 671 -0.205 6.311 -7.130 1.00 42.12 H new ATOM 1185 N THR A 672 -3.733 9.224 -6.362 1.00 10.24 N ATOM 1186 CA THR A 672 -4.559 10.025 -7.256 1.00 55.01 C ATOM 1187 C THR A 672 -4.162 11.495 -7.202 1.00 15.31 C ATOM 1188 O THR A 672 -4.218 12.201 -8.209 1.00 71.30 O ATOM 1189 CB THR A 672 -6.054 9.896 -6.906 1.00 73.21 C ATOM 1190 OG1 THR A 672 -6.452 8.521 -6.958 1.00 12.24 O ATOM 1191 CG2 THR A 672 -6.907 10.712 -7.865 1.00 55.12 C ATOM 0 H THR A 672 -4.192 8.956 -5.491 1.00 10.24 H new ATOM 0 HA THR A 672 -4.395 9.644 -8.264 1.00 55.01 H new ATOM 0 HB THR A 672 -6.203 10.280 -5.897 1.00 73.21 H new ATOM 0 HG1 THR A 672 -6.426 8.139 -6.056 1.00 12.24 H new ATOM 0 HG21 THR A 672 -7.958 10.605 -7.598 1.00 55.12 H new ATOM 0 HG22 THR A 672 -6.622 11.762 -7.802 1.00 55.12 H new ATOM 0 HG23 THR A 672 -6.753 10.354 -8.883 1.00 55.12 H new ATOM 1199 N SER A 673 -3.760 11.953 -6.020 1.00 23.30 N ATOM 1200 CA SER A 673 -3.356 13.341 -5.835 1.00 2.32 C ATOM 1201 C SER A 673 -1.984 13.594 -6.451 1.00 43.50 C ATOM 1202 O SER A 673 -1.722 14.671 -6.989 1.00 51.55 O ATOM 1203 CB SER A 673 -3.331 13.692 -4.346 1.00 0.13 C ATOM 1204 OG SER A 673 -2.975 15.050 -4.148 1.00 14.01 O ATOM 0 H SER A 673 -3.706 11.382 -5.176 1.00 23.30 H new ATOM 0 HA SER A 673 -4.084 13.976 -6.339 1.00 2.32 H new ATOM 0 HB2 SER A 673 -4.311 13.502 -3.908 1.00 0.13 H new ATOM 0 HB3 SER A 673 -2.620 13.047 -3.829 1.00 0.13 H new ATOM 0 HG SER A 673 -2.968 15.250 -3.189 1.00 14.01 H new ATOM 1309 N THR B 389 16.556 4.144 -3.601 1.00 54.02 N ATOM 1310 CA THR B 389 15.174 4.498 -3.304 1.00 15.31 C ATOM 1311 C THR B 389 14.403 3.299 -2.764 1.00 5.33 C ATOM 1312 O THR B 389 14.967 2.222 -2.574 1.00 3.24 O ATOM 1313 CB THR B 389 14.451 5.039 -4.553 1.00 64.51 C ATOM 1314 OG1 THR B 389 15.291 4.897 -5.704 1.00 12.41 O ATOM 1315 CG2 THR B 389 14.076 6.502 -4.370 1.00 74.12 C ATOM 0 HA THR B 389 15.205 5.279 -2.544 1.00 15.31 H new ATOM 0 HB THR B 389 13.538 4.462 -4.696 1.00 64.51 H new ATOM 0 HG1 THR B 389 16.192 4.636 -5.421 1.00 12.41 H new ATOM 0 HG21 THR B 389 13.567 6.862 -5.264 1.00 74.12 H new ATOM 0 HG22 THR B 389 13.414 6.603 -3.510 1.00 74.12 H new ATOM 0 HG23 THR B 389 14.978 7.091 -4.204 1.00 74.12 H new ATOM 1323 N TRP B 390 13.113 3.494 -2.520 1.00 35.23 N ATOM 1324 CA TRP B 390 12.264 2.426 -2.001 1.00 24.11 C ATOM 1325 C TRP B 390 11.970 1.392 -3.082 1.00 74.52 C ATOM 1326 O TRP B 390 12.018 1.695 -4.274 1.00 42.34 O ATOM 1327 CB TRP B 390 10.956 3.004 -1.460 1.00 55.42 C ATOM 1328 CG TRP B 390 11.008 3.327 0.002 1.00 71.33 C ATOM 1329 CD1 TRP B 390 11.611 4.406 0.582 1.00 13.44 C ATOM 1330 CD2 TRP B 390 10.437 2.563 1.070 1.00 73.32 C ATOM 1331 NE1 TRP B 390 11.449 4.359 1.946 1.00 21.20 N ATOM 1332 CE2 TRP B 390 10.731 3.238 2.270 1.00 4.41 C ATOM 1333 CE3 TRP B 390 9.703 1.374 1.128 1.00 43.34 C ATOM 1334 CZ2 TRP B 390 10.319 2.763 3.512 1.00 13.13 C ATOM 1335 CZ3 TRP B 390 9.295 0.904 2.362 1.00 52.15 C ATOM 1336 CH2 TRP B 390 9.603 1.598 3.540 1.00 73.44 C ATOM 0 H TRP B 390 12.631 4.380 -2.673 1.00 35.23 H new ATOM 0 HA TRP B 390 12.798 1.933 -1.188 1.00 24.11 H new ATOM 0 HB2 TRP B 390 10.710 3.909 -2.016 1.00 55.42 H new ATOM 0 HB3 TRP B 390 10.151 2.291 -1.639 1.00 55.42 H new ATOM 0 HD1 TRP B 390 12.138 5.182 0.047 1.00 13.44 H new ATOM 0 HE1 TRP B 390 11.805 5.047 2.609 1.00 21.20 H new ATOM 0 HE3 TRP B 390 9.460 0.833 0.225 1.00 43.34 H new ATOM 0 HZ2 TRP B 390 10.556 3.295 4.421 1.00 13.13 H new ATOM 0 HZ3 TRP B 390 8.729 -0.014 2.420 1.00 52.15 H new ATOM 0 HH2 TRP B 390 9.268 1.205 4.489 1.00 73.44 H new ATOM 1347 N ARG B 391 11.663 0.170 -2.657 1.00 44.43 N ATOM 1348 CA ARG B 391 11.362 -0.909 -3.591 1.00 31.22 C ATOM 1349 C ARG B 391 10.146 -1.706 -3.126 1.00 3.44 C ATOM 1350 O ARG B 391 9.618 -1.474 -2.038 1.00 24.33 O ATOM 1351 CB ARG B 391 12.569 -1.838 -3.736 1.00 51.45 C ATOM 1352 CG ARG B 391 12.889 -2.622 -2.475 1.00 64.41 C ATOM 1353 CD ARG B 391 14.255 -3.286 -2.564 1.00 14.22 C ATOM 1354 NE ARG B 391 14.284 -4.348 -3.565 1.00 23.05 N ATOM 1355 CZ ARG B 391 15.298 -5.194 -3.709 1.00 63.05 C ATOM 1356 NH1 ARG B 391 16.361 -5.101 -2.922 1.00 15.10 N ATOM 1357 NH2 ARG B 391 15.251 -6.135 -4.644 1.00 13.14 N ATOM 0 H ARG B 391 11.616 -0.097 -1.674 1.00 44.43 H new ATOM 0 HA ARG B 391 11.136 -0.465 -4.560 1.00 31.22 H new ATOM 0 HB2 ARG B 391 12.383 -2.537 -4.551 1.00 51.45 H new ATOM 0 HB3 ARG B 391 13.440 -1.246 -4.017 1.00 51.45 H new ATOM 0 HG2 ARG B 391 12.863 -1.955 -1.614 1.00 64.41 H new ATOM 0 HG3 ARG B 391 12.124 -3.381 -2.313 1.00 64.41 H new ATOM 0 HD2 ARG B 391 15.007 -2.536 -2.810 1.00 14.22 H new ATOM 0 HD3 ARG B 391 14.522 -3.698 -1.591 1.00 14.22 H new ATOM 0 HE ARG B 391 13.482 -4.446 -4.188 1.00 23.05 H new ATOM 0 HH11 ARG B 391 16.402 -4.378 -2.203 1.00 15.10 H new ATOM 0 HH12 ARG B 391 17.138 -5.752 -3.035 1.00 15.10 H new ATOM 0 HH21 ARG B 391 14.436 -6.209 -5.253 1.00 13.14 H new ATOM 0 HH22 ARG B 391 16.030 -6.784 -4.754 1.00 13.14 H new ATOM 1371 N VAL B 392 9.708 -2.646 -3.957 1.00 52.13 N ATOM 1372 CA VAL B 392 8.556 -3.478 -3.631 1.00 54.33 C ATOM 1373 C VAL B 392 8.669 -4.853 -4.280 1.00 53.40 C ATOM 1374 O VAL B 392 9.153 -4.980 -5.404 1.00 53.32 O ATOM 1375 CB VAL B 392 7.240 -2.815 -4.083 1.00 70.24 C ATOM 1376 CG1 VAL B 392 6.052 -3.704 -3.745 1.00 54.35 C ATOM 1377 CG2 VAL B 392 7.089 -1.442 -3.446 1.00 33.42 C ATOM 0 H VAL B 392 10.134 -2.851 -4.861 1.00 52.13 H new ATOM 0 HA VAL B 392 8.544 -3.592 -2.547 1.00 54.33 H new ATOM 0 HB VAL B 392 7.270 -2.686 -5.165 1.00 70.24 H new ATOM 0 HG11 VAL B 392 5.131 -3.220 -4.071 1.00 54.35 H new ATOM 0 HG12 VAL B 392 6.158 -4.662 -4.253 1.00 54.35 H new ATOM 0 HG13 VAL B 392 6.014 -3.867 -2.668 1.00 54.35 H new ATOM 0 HG21 VAL B 392 6.154 -0.988 -3.776 1.00 33.42 H new ATOM 0 HG22 VAL B 392 7.080 -1.543 -2.361 1.00 33.42 H new ATOM 0 HG23 VAL B 392 7.925 -0.809 -3.744 1.00 33.42 H new ATOM 1387 N GLN B 393 8.219 -5.878 -3.564 1.00 4.23 N ATOM 1388 CA GLN B 393 8.270 -7.244 -4.070 1.00 44.33 C ATOM 1389 C GLN B 393 6.965 -7.979 -3.788 1.00 14.33 C ATOM 1390 O GLN B 393 6.663 -8.311 -2.642 1.00 30.32 O ATOM 1391 CB GLN B 393 9.442 -8.000 -3.440 1.00 34.25 C ATOM 1392 CG GLN B 393 10.788 -7.329 -3.659 1.00 22.10 C ATOM 1393 CD GLN B 393 11.717 -7.484 -2.471 1.00 3.32 C ATOM 1394 OE1 GLN B 393 12.661 -8.274 -2.506 1.00 14.13 O ATOM 1395 NE2 GLN B 393 11.455 -6.728 -1.412 1.00 21.35 N ATOM 0 H GLN B 393 7.815 -5.788 -2.632 1.00 4.23 H new ATOM 0 HA GLN B 393 8.413 -7.199 -5.150 1.00 44.33 H new ATOM 0 HB2 GLN B 393 9.265 -8.100 -2.369 1.00 34.25 H new ATOM 0 HB3 GLN B 393 9.477 -9.008 -3.853 1.00 34.25 H new ATOM 0 HG2 GLN B 393 11.262 -7.754 -4.544 1.00 22.10 H new ATOM 0 HG3 GLN B 393 10.633 -6.269 -3.858 1.00 22.10 H new ATOM 0 HE21 GLN B 393 10.662 -6.087 -1.427 1.00 21.35 H new ATOM 0 HE22 GLN B 393 12.047 -6.788 -0.583 1.00 21.35 H new ATOM 1404 N ARG B 394 6.193 -8.228 -4.841 1.00 32.23 N ATOM 1405 CA ARG B 394 4.918 -8.923 -4.706 1.00 10.25 C ATOM 1406 C ARG B 394 5.121 -10.332 -4.156 1.00 12.11 C ATOM 1407 O ARG B 394 6.239 -10.845 -4.137 1.00 61.12 O ATOM 1408 CB ARG B 394 4.204 -8.989 -6.057 1.00 73.21 C ATOM 1409 CG ARG B 394 4.016 -7.632 -6.714 1.00 51.54 C ATOM 1410 CD ARG B 394 4.726 -7.559 -8.057 1.00 53.11 C ATOM 1411 NE ARG B 394 3.957 -6.806 -9.044 1.00 32.15 N ATOM 1412 CZ ARG B 394 2.808 -7.229 -9.559 1.00 70.52 C ATOM 1413 NH1 ARG B 394 2.298 -8.394 -9.183 1.00 1.21 N ATOM 1414 NH2 ARG B 394 2.166 -6.487 -10.452 1.00 25.22 N ATOM 0 H ARG B 394 6.428 -7.959 -5.796 1.00 32.23 H new ATOM 0 HA ARG B 394 4.301 -8.364 -4.003 1.00 10.25 H new ATOM 0 HB2 ARG B 394 4.773 -9.632 -6.728 1.00 73.21 H new ATOM 0 HB3 ARG B 394 3.228 -9.455 -5.920 1.00 73.21 H new ATOM 0 HG2 ARG B 394 2.952 -7.438 -6.853 1.00 51.54 H new ATOM 0 HG3 ARG B 394 4.399 -6.852 -6.056 1.00 51.54 H new ATOM 0 HD2 ARG B 394 5.702 -7.092 -7.926 1.00 53.11 H new ATOM 0 HD3 ARG B 394 4.903 -8.568 -8.429 1.00 53.11 H new ATOM 0 HE ARG B 394 4.322 -5.906 -9.355 1.00 32.15 H new ATOM 0 HH11 ARG B 394 2.788 -8.968 -8.497 1.00 1.21 H new ATOM 0 HH12 ARG B 394 1.415 -8.716 -9.580 1.00 1.21 H new ATOM 0 HH21 ARG B 394 2.555 -5.590 -10.744 1.00 25.22 H new ATOM 0 HH22 ARG B 394 1.284 -6.813 -10.847 1.00 25.22 H new ATOM 1428 N SER B 395 4.033 -10.950 -3.710 1.00 53.34 N ATOM 1429 CA SER B 395 4.092 -12.298 -3.155 1.00 44.15 C ATOM 1430 C SER B 395 2.968 -13.165 -3.715 1.00 1.23 C ATOM 1431 O SER B 395 2.159 -12.706 -4.521 1.00 10.22 O ATOM 1432 CB SER B 395 4.003 -12.248 -1.629 1.00 50.11 C ATOM 1433 OG SER B 395 4.388 -13.485 -1.056 1.00 24.33 O ATOM 0 H SER B 395 3.099 -10.539 -3.722 1.00 53.34 H new ATOM 0 HA SER B 395 5.046 -12.742 -3.441 1.00 44.15 H new ATOM 0 HB2 SER B 395 4.645 -11.452 -1.250 1.00 50.11 H new ATOM 0 HB3 SER B 395 2.984 -12.006 -1.329 1.00 50.11 H new ATOM 0 HG SER B 395 5.059 -13.915 -1.626 1.00 24.33 H new ATOM 1439 N GLN B 396 2.925 -14.420 -3.280 1.00 25.34 N ATOM 1440 CA GLN B 396 1.901 -15.352 -3.737 1.00 25.42 C ATOM 1441 C GLN B 396 0.507 -14.842 -3.390 1.00 32.33 C ATOM 1442 O GLN B 396 -0.470 -15.177 -4.057 1.00 51.04 O ATOM 1443 CB GLN B 396 2.124 -16.731 -3.114 1.00 35.32 C ATOM 1444 CG GLN B 396 1.890 -16.765 -1.611 1.00 44.45 C ATOM 1445 CD GLN B 396 2.971 -17.528 -0.871 1.00 12.03 C ATOM 1446 OE1 GLN B 396 4.162 -17.335 -1.114 1.00 54.43 O ATOM 1447 NE2 GLN B 396 2.559 -18.402 0.041 1.00 41.22 N ATOM 0 H GLN B 396 3.587 -14.815 -2.612 1.00 25.34 H new ATOM 0 HA GLN B 396 1.977 -15.435 -4.821 1.00 25.42 H new ATOM 0 HB2 GLN B 396 1.458 -17.449 -3.593 1.00 35.32 H new ATOM 0 HB3 GLN B 396 3.144 -17.054 -3.322 1.00 35.32 H new ATOM 0 HG2 GLN B 396 1.845 -15.745 -1.231 1.00 44.45 H new ATOM 0 HG3 GLN B 396 0.922 -17.224 -1.408 1.00 44.45 H new ATOM 0 HE21 GLN B 396 1.561 -18.530 0.210 1.00 41.22 H new ATOM 0 HE22 GLN B 396 3.240 -18.945 0.572 1.00 41.22 H new ATOM 1456 N ASN B 397 0.424 -14.030 -2.341 1.00 34.11 N ATOM 1457 CA ASN B 397 -0.852 -13.474 -1.905 1.00 40.32 C ATOM 1458 C ASN B 397 -1.640 -12.925 -3.090 1.00 54.11 C ATOM 1459 O ASN B 397 -1.101 -12.693 -4.172 1.00 2.40 O ATOM 1460 CB ASN B 397 -0.624 -12.367 -0.873 1.00 60.22 C ATOM 1461 CG ASN B 397 -0.673 -12.886 0.552 1.00 41.44 C ATOM 1462 OD1 ASN B 397 -0.326 -14.037 0.817 1.00 2.43 O ATOM 1463 ND2 ASN B 397 -1.107 -12.036 1.476 1.00 51.14 N ATOM 0 H ASN B 397 1.224 -13.743 -1.778 1.00 34.11 H new ATOM 0 HA ASN B 397 -1.431 -14.276 -1.447 1.00 40.32 H new ATOM 0 HB2 ASN B 397 0.344 -11.899 -1.053 1.00 60.22 H new ATOM 0 HB3 ASN B 397 -1.381 -11.593 -1.001 1.00 60.22 H new ATOM 0 HD21 ASN B 397 -1.163 -12.328 2.452 1.00 51.14 H new ATOM 0 HD22 ASN B 397 -1.384 -11.091 1.210 1.00 51.14 H new ATOM 1470 N PRO B 398 -2.949 -12.711 -2.883 1.00 65.45 N ATOM 1471 CA PRO B 398 -3.839 -12.186 -3.923 1.00 25.01 C ATOM 1472 C PRO B 398 -3.551 -10.724 -4.247 1.00 71.44 C ATOM 1473 O PRO B 398 -3.947 -10.222 -5.301 1.00 25.35 O ATOM 1474 CB PRO B 398 -5.231 -12.334 -3.304 1.00 50.41 C ATOM 1475 CG PRO B 398 -4.996 -12.314 -1.833 1.00 51.01 C ATOM 1476 CD PRO B 398 -3.658 -12.967 -1.619 1.00 34.23 C ATOM 0 HA PRO B 398 -3.720 -12.715 -4.869 1.00 25.01 H new ATOM 0 HB2 PRO B 398 -5.889 -11.521 -3.611 1.00 50.41 H new ATOM 0 HB3 PRO B 398 -5.706 -13.264 -3.616 1.00 50.41 H new ATOM 0 HG2 PRO B 398 -4.998 -11.293 -1.451 1.00 51.01 H new ATOM 0 HG3 PRO B 398 -5.782 -12.853 -1.305 1.00 51.01 H new ATOM 0 HD2 PRO B 398 -3.131 -12.535 -0.768 1.00 34.23 H new ATOM 0 HD3 PRO B 398 -3.758 -14.035 -1.423 1.00 34.23 H new ATOM 1484 N LEU B 399 -2.862 -10.046 -3.336 1.00 41.42 N ATOM 1485 CA LEU B 399 -2.521 -8.639 -3.527 1.00 30.43 C ATOM 1486 C LEU B 399 -1.677 -8.123 -2.366 1.00 1.34 C ATOM 1487 O LEU B 399 -2.074 -7.195 -1.661 1.00 10.23 O ATOM 1488 CB LEU B 399 -3.793 -7.801 -3.661 1.00 13.52 C ATOM 1489 CG LEU B 399 -3.718 -6.618 -4.629 1.00 22.50 C ATOM 1490 CD1 LEU B 399 -2.431 -5.836 -4.417 1.00 63.10 C ATOM 1491 CD2 LEU B 399 -3.821 -7.101 -6.068 1.00 23.13 C ATOM 0 H LEU B 399 -2.529 -10.446 -2.459 1.00 41.42 H new ATOM 0 HA LEU B 399 -1.938 -8.551 -4.443 1.00 30.43 H new ATOM 0 HB2 LEU B 399 -4.604 -8.456 -3.981 1.00 13.52 H new ATOM 0 HB3 LEU B 399 -4.060 -7.422 -2.675 1.00 13.52 H new ATOM 0 HG LEU B 399 -4.559 -5.954 -4.429 1.00 22.50 H new ATOM 0 HD11 LEU B 399 -2.395 -4.999 -5.114 1.00 63.10 H new ATOM 0 HD12 LEU B 399 -2.399 -5.459 -3.395 1.00 63.10 H new ATOM 0 HD13 LEU B 399 -1.576 -6.489 -4.590 1.00 63.10 H new ATOM 0 HD21 LEU B 399 -3.766 -6.247 -6.743 1.00 23.13 H new ATOM 0 HD22 LEU B 399 -3.000 -7.786 -6.282 1.00 23.13 H new ATOM 0 HD23 LEU B 399 -4.771 -7.617 -6.212 1.00 23.13 H new ATOM 1503 N LYS B 400 -0.509 -8.727 -2.175 1.00 72.25 N ATOM 1504 CA LYS B 400 0.394 -8.328 -1.103 1.00 12.42 C ATOM 1505 C LYS B 400 1.696 -7.769 -1.669 1.00 62.30 C ATOM 1506 O LYS B 400 2.425 -8.466 -2.376 1.00 1.54 O ATOM 1507 CB LYS B 400 0.692 -9.517 -0.188 1.00 71.14 C ATOM 1508 CG LYS B 400 1.449 -9.140 1.074 1.00 51.15 C ATOM 1509 CD LYS B 400 2.443 -10.218 1.470 1.00 23.15 C ATOM 1510 CE LYS B 400 1.764 -11.353 2.221 1.00 22.24 C ATOM 1511 NZ LYS B 400 2.624 -11.890 3.312 1.00 3.21 N ATOM 0 H LYS B 400 -0.165 -9.496 -2.750 1.00 72.25 H new ATOM 0 HA LYS B 400 -0.095 -7.546 -0.522 1.00 12.42 H new ATOM 0 HB2 LYS B 400 -0.247 -9.994 0.091 1.00 71.14 H new ATOM 0 HB3 LYS B 400 1.272 -10.255 -0.743 1.00 71.14 H new ATOM 0 HG2 LYS B 400 1.975 -8.199 0.916 1.00 51.15 H new ATOM 0 HG3 LYS B 400 0.743 -8.978 1.888 1.00 51.15 H new ATOM 0 HD2 LYS B 400 2.930 -10.611 0.578 1.00 23.15 H new ATOM 0 HD3 LYS B 400 3.224 -9.783 2.094 1.00 23.15 H new ATOM 0 HE2 LYS B 400 0.823 -10.998 2.642 1.00 22.24 H new ATOM 0 HE3 LYS B 400 1.519 -12.154 1.524 1.00 22.24 H new ATOM 0 HZ1 LYS B 400 2.170 -12.726 3.733 1.00 3.21 H new ATOM 0 HZ2 LYS B 400 3.551 -12.158 2.923 1.00 3.21 H new ATOM 0 HZ3 LYS B 400 2.753 -11.161 4.043 1.00 3.21 H new ATOM 1525 N ILE B 401 1.982 -6.511 -1.352 1.00 21.33 N ATOM 1526 CA ILE B 401 3.198 -5.862 -1.826 1.00 73.52 C ATOM 1527 C ILE B 401 4.109 -5.485 -0.664 1.00 64.30 C ATOM 1528 O ILE B 401 3.783 -4.609 0.137 1.00 54.31 O ATOM 1529 CB ILE B 401 2.878 -4.597 -2.645 1.00 3.14 C ATOM 1530 CG1 ILE B 401 1.685 -3.857 -2.035 1.00 73.12 C ATOM 1531 CG2 ILE B 401 2.597 -4.961 -4.095 1.00 43.41 C ATOM 1532 CD1 ILE B 401 1.779 -2.353 -2.158 1.00 50.25 C ATOM 0 H ILE B 401 1.388 -5.921 -0.769 1.00 21.33 H new ATOM 0 HA ILE B 401 3.710 -6.580 -2.467 1.00 73.52 H new ATOM 0 HB ILE B 401 3.744 -3.936 -2.619 1.00 3.14 H new ATOM 0 HG12 ILE B 401 0.770 -4.197 -2.521 1.00 73.12 H new ATOM 0 HG13 ILE B 401 1.603 -4.123 -0.981 1.00 73.12 H new ATOM 0 HG21 ILE B 401 2.373 -4.056 -4.660 1.00 43.41 H new ATOM 0 HG22 ILE B 401 3.472 -5.449 -4.524 1.00 43.41 H new ATOM 0 HG23 ILE B 401 1.744 -5.639 -4.141 1.00 43.41 H new ATOM 0 HD11 ILE B 401 0.900 -1.895 -1.704 1.00 50.25 H new ATOM 0 HD12 ILE B 401 2.676 -2.002 -1.647 1.00 50.25 H new ATOM 0 HD13 ILE B 401 1.829 -2.077 -3.211 1.00 50.25 H new ATOM 1544 N ARG B 402 5.256 -6.152 -0.577 1.00 42.34 N ATOM 1545 CA ARG B 402 6.217 -5.886 0.487 1.00 40.31 C ATOM 1546 C ARG B 402 7.091 -4.684 0.142 1.00 45.12 C ATOM 1547 O ARG B 402 8.009 -4.785 -0.674 1.00 3.12 O ATOM 1548 CB ARG B 402 7.094 -7.116 0.730 1.00 14.24 C ATOM 1549 CG ARG B 402 6.616 -7.986 1.881 1.00 1.24 C ATOM 1550 CD ARG B 402 7.746 -8.297 2.850 1.00 64.33 C ATOM 1551 NE ARG B 402 8.949 -8.754 2.158 1.00 73.25 N ATOM 1552 CZ ARG B 402 9.078 -9.966 1.630 1.00 32.44 C ATOM 1553 NH1 ARG B 402 8.083 -10.839 1.715 1.00 22.23 N ATOM 1554 NH2 ARG B 402 10.203 -10.308 1.016 1.00 24.42 N ATOM 0 H ARG B 402 5.542 -6.881 -1.231 1.00 42.34 H new ATOM 0 HA ARG B 402 5.661 -5.659 1.397 1.00 40.31 H new ATOM 0 HB2 ARG B 402 7.124 -7.716 -0.180 1.00 14.24 H new ATOM 0 HB3 ARG B 402 8.115 -6.790 0.931 1.00 14.24 H new ATOM 0 HG2 ARG B 402 5.810 -7.479 2.411 1.00 1.24 H new ATOM 0 HG3 ARG B 402 6.205 -8.916 1.489 1.00 1.24 H new ATOM 0 HD2 ARG B 402 7.979 -7.406 3.433 1.00 64.33 H new ATOM 0 HD3 ARG B 402 7.420 -9.062 3.554 1.00 64.33 H new ATOM 0 HE ARG B 402 9.733 -8.107 2.076 1.00 73.25 H new ATOM 0 HH11 ARG B 402 7.216 -10.580 2.187 1.00 22.23 H new ATOM 0 HH12 ARG B 402 8.184 -11.769 1.309 1.00 22.23 H new ATOM 0 HH21 ARG B 402 10.971 -9.640 0.949 1.00 24.42 H new ATOM 0 HH22 ARG B 402 10.300 -11.239 0.611 1.00 24.42 H new ATOM 1568 N LEU B 403 6.801 -3.548 0.768 1.00 64.43 N ATOM 1569 CA LEU B 403 7.561 -2.327 0.527 1.00 24.03 C ATOM 1570 C LEU B 403 8.765 -2.242 1.460 1.00 70.24 C ATOM 1571 O LEU B 403 8.657 -2.508 2.657 1.00 20.35 O ATOM 1572 CB LEU B 403 6.666 -1.101 0.717 1.00 43.44 C ATOM 1573 CG LEU B 403 5.777 -0.728 -0.470 1.00 21.42 C ATOM 1574 CD1 LEU B 403 5.131 -1.971 -1.063 1.00 51.45 C ATOM 1575 CD2 LEU B 403 4.715 0.276 -0.046 1.00 30.13 C ATOM 0 H LEU B 403 6.045 -3.448 1.446 1.00 64.43 H new ATOM 0 HA LEU B 403 7.923 -2.350 -0.501 1.00 24.03 H new ATOM 0 HB2 LEU B 403 6.027 -1.273 1.583 1.00 43.44 H new ATOM 0 HB3 LEU B 403 7.300 -0.246 0.953 1.00 43.44 H new ATOM 0 HG LEU B 403 6.400 -0.266 -1.236 1.00 21.42 H new ATOM 0 HD11 LEU B 403 4.502 -1.687 -1.907 1.00 51.45 H new ATOM 0 HD12 LEU B 403 5.907 -2.657 -1.404 1.00 51.45 H new ATOM 0 HD13 LEU B 403 4.521 -2.461 -0.304 1.00 51.45 H new ATOM 0 HD21 LEU B 403 4.092 0.530 -0.903 1.00 30.13 H new ATOM 0 HD22 LEU B 403 4.095 -0.159 0.737 1.00 30.13 H new ATOM 0 HD23 LEU B 403 5.197 1.178 0.332 1.00 30.13 H new ATOM 1587 N THR B 404 9.913 -1.867 0.904 1.00 43.21 N ATOM 1588 CA THR B 404 11.137 -1.745 1.685 1.00 34.14 C ATOM 1589 C THR B 404 12.027 -0.632 1.144 1.00 11.12 C ATOM 1590 O THR B 404 12.129 -0.441 -0.068 1.00 12.44 O ATOM 1591 CB THR B 404 11.933 -3.065 1.692 1.00 14.34 C ATOM 1592 OG1 THR B 404 12.519 -3.290 0.407 1.00 64.03 O ATOM 1593 CG2 THR B 404 11.033 -4.236 2.058 1.00 24.30 C ATOM 0 H THR B 404 10.020 -1.642 -0.085 1.00 43.21 H new ATOM 0 HA THR B 404 10.838 -1.503 2.705 1.00 34.14 H new ATOM 0 HB THR B 404 12.722 -2.985 2.440 1.00 14.34 H new ATOM 0 HG1 THR B 404 13.024 -4.130 0.420 1.00 64.03 H new ATOM 0 HG21 THR B 404 11.616 -5.157 2.057 1.00 24.30 H new ATOM 0 HG22 THR B 404 10.611 -4.075 3.050 1.00 24.30 H new ATOM 0 HG23 THR B 404 10.226 -4.316 1.330 1.00 24.30 H new ATOM 1601 N ARG B 405 12.668 0.099 2.049 1.00 25.54 N ATOM 1602 CA ARG B 405 13.549 1.194 1.662 1.00 24.35 C ATOM 1603 C ARG B 405 14.528 0.748 0.579 1.00 34.45 C ATOM 1604 O ARG B 405 15.634 1.278 0.472 1.00 60.53 O ATOM 1605 CB ARG B 405 14.320 1.711 2.878 1.00 3.41 C ATOM 1606 CG ARG B 405 13.450 2.455 3.879 1.00 1.41 C ATOM 1607 CD ARG B 405 14.245 2.870 5.107 1.00 21.32 C ATOM 1608 NE ARG B 405 15.602 3.287 4.766 1.00 10.04 N ATOM 1609 CZ ARG B 405 15.883 4.408 4.111 1.00 1.12 C ATOM 1610 NH1 ARG B 405 14.906 5.218 3.729 1.00 40.33 N ATOM 1611 NH2 ARG B 405 17.144 4.720 3.838 1.00 30.10 N ATOM 0 H ARG B 405 12.594 -0.047 3.056 1.00 25.54 H new ATOM 0 HA ARG B 405 12.932 1.999 1.262 1.00 24.35 H new ATOM 0 HB2 ARG B 405 14.798 0.869 3.379 1.00 3.41 H new ATOM 0 HB3 ARG B 405 15.116 2.373 2.538 1.00 3.41 H new ATOM 0 HG2 ARG B 405 13.022 3.339 3.405 1.00 1.41 H new ATOM 0 HG3 ARG B 405 12.617 1.821 4.181 1.00 1.41 H new ATOM 0 HD2 ARG B 405 13.731 3.688 5.612 1.00 21.32 H new ATOM 0 HD3 ARG B 405 14.287 2.038 5.810 1.00 21.32 H new ATOM 0 HE ARG B 405 16.376 2.685 5.046 1.00 10.04 H new ATOM 0 HH11 ARG B 405 13.936 4.981 3.938 1.00 40.33 H new ATOM 0 HH12 ARG B 405 15.124 6.078 3.226 1.00 40.33 H new ATOM 0 HH21 ARG B 405 17.898 4.099 4.131 1.00 30.10 H new ATOM 0 HH22 ARG B 405 17.359 5.581 3.335 1.00 30.10 H new