USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 525 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.497 F(o=-1.5,f=-0.5) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 30:sc= -0.695 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 84:sc= -0.669 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.286 -0.603 -2.555 1.00 62.12 N ATOM 19 CA LYS A 2 5.653 -0.229 -2.213 1.00 64.24 C ATOM 20 C LYS A 2 6.312 0.532 -3.360 1.00 22.34 C ATOM 21 O LYS A 2 6.064 0.247 -4.531 1.00 74.41 O ATOM 22 CB LYS A 2 6.475 -1.475 -1.875 1.00 63.13 C ATOM 23 CG LYS A 2 6.011 -2.187 -0.616 1.00 50.14 C ATOM 24 CD LYS A 2 6.612 -3.578 -0.509 1.00 30.33 C ATOM 25 CE LYS A 2 6.805 -3.991 0.942 1.00 33.44 C ATOM 26 NZ LYS A 2 5.774 -4.973 1.381 1.00 4.13 N ATOM 0 HA LYS A 2 5.617 0.423 -1.340 1.00 64.24 H new ATOM 0 HB2 LYS A 2 6.428 -2.170 -2.714 1.00 63.13 H new ATOM 0 HB3 LYS A 2 7.520 -1.189 -1.756 1.00 63.13 H new ATOM 0 HG2 LYS A 2 6.291 -1.600 0.259 1.00 50.14 H new ATOM 0 HG3 LYS A 2 4.923 -2.259 -0.617 1.00 50.14 H new ATOM 0 HD2 LYS A 2 5.962 -4.296 -1.009 1.00 30.33 H new ATOM 0 HD3 LYS A 2 7.571 -3.602 -1.026 1.00 30.33 H new ATOM 0 HE2 LYS A 2 7.797 -4.425 1.067 1.00 33.44 H new ATOM 0 HE3 LYS A 2 6.761 -3.108 1.580 1.00 33.44 H new ATOM 0 HZ1 LYS A 2 5.940 -5.229 2.375 1.00 4.13 H new ATOM 0 HZ2 LYS A 2 4.829 -4.550 1.286 1.00 4.13 H new ATOM 0 HZ3 LYS A 2 5.833 -5.826 0.789 1.00 4.13 H new ATOM 40 N VAL A 3 7.155 1.500 -3.014 1.00 54.21 N ATOM 41 CA VAL A 3 7.851 2.300 -4.014 1.00 43.23 C ATOM 42 C VAL A 3 9.338 2.406 -3.695 1.00 3.00 C ATOM 43 O VAL A 3 9.734 2.422 -2.529 1.00 70.22 O ATOM 44 CB VAL A 3 7.257 3.718 -4.113 1.00 35.40 C ATOM 45 CG1 VAL A 3 7.611 4.354 -5.448 1.00 60.24 C ATOM 46 CG2 VAL A 3 5.749 3.677 -3.916 1.00 13.01 C ATOM 0 H VAL A 3 7.372 1.749 -2.049 1.00 54.21 H new ATOM 0 HA VAL A 3 7.722 1.793 -4.970 1.00 43.23 H new ATOM 0 HB VAL A 3 7.688 4.330 -3.321 1.00 35.40 H new ATOM 0 HG11 VAL A 3 7.183 5.355 -5.499 1.00 60.24 H new ATOM 0 HG12 VAL A 3 8.695 4.418 -5.545 1.00 60.24 H new ATOM 0 HG13 VAL A 3 7.210 3.746 -6.259 1.00 60.24 H new ATOM 0 HG21 VAL A 3 5.345 4.687 -3.989 1.00 13.01 H new ATOM 0 HG22 VAL A 3 5.299 3.050 -4.685 1.00 13.01 H new ATOM 0 HG23 VAL A 3 5.522 3.265 -2.933 1.00 13.01 H new ATOM 56 N TYR A 4 10.158 2.479 -4.738 1.00 33.22 N ATOM 57 CA TYR A 4 11.602 2.581 -4.569 1.00 44.30 C ATOM 58 C TYR A 4 12.171 3.713 -5.419 1.00 2.42 C ATOM 59 O TYR A 4 12.032 3.718 -6.642 1.00 32.10 O ATOM 60 CB TYR A 4 12.276 1.260 -4.943 1.00 73.23 C ATOM 61 CG TYR A 4 13.512 1.431 -5.798 1.00 35.44 C ATOM 62 CD1 TYR A 4 14.736 1.754 -5.226 1.00 11.13 C ATOM 63 CD2 TYR A 4 13.455 1.270 -7.176 1.00 72.54 C ATOM 64 CE1 TYR A 4 15.868 1.912 -6.002 1.00 74.12 C ATOM 65 CE2 TYR A 4 14.582 1.424 -7.960 1.00 74.15 C ATOM 66 CZ TYR A 4 15.785 1.745 -7.369 1.00 4.21 C ATOM 67 OH TYR A 4 16.910 1.901 -8.147 1.00 12.23 O ATOM 0 H TYR A 4 9.847 2.469 -5.709 1.00 33.22 H new ATOM 0 HA TYR A 4 11.804 2.800 -3.521 1.00 44.30 H new ATOM 0 HB2 TYR A 4 12.546 0.729 -4.030 1.00 73.23 H new ATOM 0 HB3 TYR A 4 11.560 0.634 -5.476 1.00 73.23 H new ATOM 0 HD1 TYR A 4 14.804 1.884 -4.156 1.00 11.13 H new ATOM 0 HD2 TYR A 4 12.514 1.020 -7.643 1.00 72.54 H new ATOM 0 HE1 TYR A 4 16.812 2.165 -5.542 1.00 74.12 H new ATOM 0 HE2 TYR A 4 14.521 1.294 -9.030 1.00 74.15 H new ATOM 0 HH TYR A 4 16.681 1.748 -9.088 1.00 12.23 H new ATOM 77 N VAL A 5 12.814 4.673 -4.761 1.00 1.02 N ATOM 78 CA VAL A 5 13.407 5.811 -5.454 1.00 75.41 C ATOM 79 C VAL A 5 14.905 5.898 -5.186 1.00 14.44 C ATOM 80 O VAL A 5 15.330 6.325 -4.113 1.00 33.12 O ATOM 81 CB VAL A 5 12.742 7.134 -5.031 1.00 12.01 C ATOM 82 CG1 VAL A 5 11.359 7.260 -5.652 1.00 61.13 C ATOM 83 CG2 VAL A 5 12.665 7.230 -3.515 1.00 12.13 C ATOM 0 H VAL A 5 12.937 4.685 -3.749 1.00 1.02 H new ATOM 0 HA VAL A 5 13.241 5.655 -6.520 1.00 75.41 H new ATOM 0 HB VAL A 5 13.353 7.960 -5.394 1.00 12.01 H new ATOM 0 HG11 VAL A 5 10.905 8.201 -5.341 1.00 61.13 H new ATOM 0 HG12 VAL A 5 11.445 7.240 -6.738 1.00 61.13 H new ATOM 0 HG13 VAL A 5 10.735 6.430 -5.322 1.00 61.13 H new ATOM 0 HG21 VAL A 5 12.192 8.171 -3.234 1.00 12.13 H new ATOM 0 HG22 VAL A 5 12.077 6.398 -3.127 1.00 12.13 H new ATOM 0 HG23 VAL A 5 13.671 7.190 -3.096 1.00 12.13 H new ATOM 93 N GLY A 6 15.702 5.492 -6.169 1.00 73.22 N ATOM 94 CA GLY A 6 17.145 5.533 -6.020 1.00 34.22 C ATOM 95 C GLY A 6 17.786 6.604 -6.880 1.00 23.44 C ATOM 96 O GLY A 6 17.100 7.473 -7.414 1.00 40.52 O ATOM 0 H GLY A 6 15.374 5.135 -7.067 1.00 73.22 H new ATOM 0 HA2 GLY A 6 17.394 5.713 -4.974 1.00 34.22 H new ATOM 0 HA3 GLY A 6 17.562 4.561 -6.284 1.00 34.22 H new ATOM 100 N ASN A 7 19.107 6.541 -7.012 1.00 3.21 N ATOM 101 CA ASN A 7 19.842 7.515 -7.811 1.00 62.12 C ATOM 102 C ASN A 7 19.669 8.922 -7.248 1.00 40.44 C ATOM 103 O ASN A 7 19.017 9.771 -7.858 1.00 41.03 O ATOM 104 CB ASN A 7 19.369 7.473 -9.266 1.00 12.35 C ATOM 105 CG ASN A 7 19.854 6.237 -9.996 1.00 65.55 C ATOM 106 OD1 ASN A 7 19.512 5.066 -9.471 1.00 74.34 O flip ATOM 107 ND2 ASN A 7 20.530 6.333 -11.021 1.00 53.10 N flip ATOM 0 H ASN A 7 19.690 5.826 -6.576 1.00 3.21 H new ATOM 0 HA ASN A 7 20.900 7.256 -7.772 1.00 62.12 H new ATOM 0 HB2 ASN A 7 18.280 7.503 -9.292 1.00 12.35 H new ATOM 0 HB3 ASN A 7 19.725 8.362 -9.787 1.00 12.35 H new ATOM 0 HD21 ASN A 7 20.770 7.253 -11.390 1.00 53.10 H new ATOM 0 HD22 ASN A 7 20.850 5.492 -11.501 1.00 53.10 H new ATOM 114 N LEU A 8 20.257 9.164 -6.082 1.00 22.51 N ATOM 115 CA LEU A 8 20.169 10.469 -5.436 1.00 62.40 C ATOM 116 C LEU A 8 21.559 11.032 -5.156 1.00 54.52 C ATOM 117 O LEU A 8 22.250 10.583 -4.243 1.00 14.42 O ATOM 118 CB LEU A 8 19.378 10.362 -4.132 1.00 34.45 C ATOM 119 CG LEU A 8 18.015 9.675 -4.228 1.00 14.11 C ATOM 120 CD1 LEU A 8 18.096 8.251 -3.702 1.00 21.50 C ATOM 121 CD2 LEU A 8 16.963 10.468 -3.465 1.00 61.22 C ATOM 0 H LEU A 8 20.800 8.473 -5.564 1.00 22.51 H new ATOM 0 HA LEU A 8 19.651 11.148 -6.113 1.00 62.40 H new ATOM 0 HB2 LEU A 8 19.985 9.821 -3.406 1.00 34.45 H new ATOM 0 HB3 LEU A 8 19.229 11.367 -3.737 1.00 34.45 H new ATOM 0 HG LEU A 8 17.723 9.637 -5.277 1.00 14.11 H new ATOM 0 HD11 LEU A 8 17.117 7.779 -3.778 1.00 21.50 H new ATOM 0 HD12 LEU A 8 18.818 7.686 -4.291 1.00 21.50 H new ATOM 0 HD13 LEU A 8 18.411 8.266 -2.659 1.00 21.50 H new ATOM 0 HD21 LEU A 8 16.000 9.965 -3.544 1.00 61.22 H new ATOM 0 HD22 LEU A 8 17.250 10.539 -2.416 1.00 61.22 H new ATOM 0 HD23 LEU A 8 16.885 11.470 -3.888 1.00 61.22 H new ATOM 161 N ALA A 12 18.926 16.088 -5.014 1.00 74.25 N ATOM 162 CA ALA A 12 17.586 15.530 -4.882 1.00 34.41 C ATOM 163 C ALA A 12 17.562 14.393 -3.866 1.00 25.04 C ATOM 164 O ALA A 12 18.029 13.289 -4.144 1.00 10.13 O ATOM 165 CB ALA A 12 17.081 15.043 -6.232 1.00 54.32 C ATOM 0 HA ALA A 12 16.926 16.319 -4.522 1.00 34.41 H new ATOM 0 HB1 ALA A 12 16.079 14.629 -6.118 1.00 54.32 H new ATOM 0 HB2 ALA A 12 17.051 15.878 -6.932 1.00 54.32 H new ATOM 0 HB3 ALA A 12 17.751 14.273 -6.615 1.00 54.32 H new ATOM 171 N GLY A 13 17.017 14.671 -2.686 1.00 14.25 N ATOM 172 CA GLY A 13 16.944 13.662 -1.645 1.00 71.24 C ATOM 173 C GLY A 13 15.574 13.591 -1.001 1.00 73.32 C ATOM 174 O GLY A 13 14.565 13.422 -1.686 1.00 52.24 O ATOM 0 H GLY A 13 16.624 15.577 -2.432 1.00 14.25 H new ATOM 0 HA2 GLY A 13 17.194 12.689 -2.068 1.00 71.24 H new ATOM 0 HA3 GLY A 13 17.690 13.878 -0.881 1.00 71.24 H new ATOM 178 N LYS A 14 15.536 13.718 0.321 1.00 71.11 N ATOM 179 CA LYS A 14 14.280 13.667 1.059 1.00 33.13 C ATOM 180 C LYS A 14 13.341 14.783 0.613 1.00 14.01 C ATOM 181 O LYS A 14 12.177 14.539 0.297 1.00 12.14 O ATOM 182 CB LYS A 14 14.543 13.778 2.563 1.00 42.33 C ATOM 183 CG LYS A 14 13.426 13.210 3.420 1.00 74.41 C ATOM 184 CD LYS A 14 13.961 12.612 4.710 1.00 4.32 C ATOM 185 CE LYS A 14 14.310 13.693 5.722 1.00 31.02 C ATOM 186 NZ LYS A 14 14.826 13.116 6.994 1.00 20.03 N ATOM 0 H LYS A 14 16.362 13.857 0.904 1.00 71.11 H new ATOM 0 HA LYS A 14 13.803 12.709 0.849 1.00 33.13 H new ATOM 0 HB2 LYS A 14 15.471 13.258 2.800 1.00 42.33 H new ATOM 0 HB3 LYS A 14 14.690 14.827 2.821 1.00 42.33 H new ATOM 0 HG2 LYS A 14 12.709 13.997 3.653 1.00 74.41 H new ATOM 0 HG3 LYS A 14 12.889 12.445 2.859 1.00 74.41 H new ATOM 0 HD2 LYS A 14 13.217 11.939 5.137 1.00 4.32 H new ATOM 0 HD3 LYS A 14 14.846 12.013 4.495 1.00 4.32 H new ATOM 0 HE2 LYS A 14 15.059 14.361 5.296 1.00 31.02 H new ATOM 0 HE3 LYS A 14 13.426 14.296 5.929 1.00 31.02 H new ATOM 0 HZ1 LYS A 14 15.052 13.884 7.657 1.00 20.03 H new ATOM 0 HZ2 LYS A 14 14.102 12.498 7.414 1.00 20.03 H new ATOM 0 HZ3 LYS A 14 15.684 12.562 6.801 1.00 20.03 H new ATOM 200 N GLY A 15 13.855 16.009 0.588 1.00 21.11 N ATOM 201 CA GLY A 15 13.049 17.144 0.178 1.00 72.44 C ATOM 202 C GLY A 15 12.527 17.002 -1.238 1.00 72.14 C ATOM 203 O GLY A 15 11.375 17.333 -1.518 1.00 31.35 O ATOM 0 H GLY A 15 14.816 16.236 0.845 1.00 21.11 H new ATOM 0 HA2 GLY A 15 12.208 17.255 0.863 1.00 72.44 H new ATOM 0 HA3 GLY A 15 13.644 18.054 0.253 1.00 72.44 H new ATOM 207 N GLU A 16 13.377 16.510 -2.135 1.00 11.45 N ATOM 208 CA GLU A 16 12.994 16.329 -3.530 1.00 24.31 C ATOM 209 C GLU A 16 11.922 15.251 -3.664 1.00 64.03 C ATOM 210 O GLU A 16 10.840 15.499 -4.198 1.00 22.22 O ATOM 211 CB GLU A 16 14.216 15.956 -4.372 1.00 42.13 C ATOM 212 CG GLU A 16 14.358 16.784 -5.638 1.00 50.24 C ATOM 213 CD GLU A 16 15.295 17.963 -5.462 1.00 41.34 C ATOM 214 OE1 GLU A 16 15.666 18.258 -4.307 1.00 14.33 O ATOM 215 OE2 GLU A 16 15.658 18.591 -6.479 1.00 74.22 O ATOM 0 H GLU A 16 14.334 16.230 -1.920 1.00 11.45 H new ATOM 0 HA GLU A 16 12.584 17.271 -3.894 1.00 24.31 H new ATOM 0 HB2 GLU A 16 15.114 16.076 -3.767 1.00 42.13 H new ATOM 0 HB3 GLU A 16 14.153 14.902 -4.642 1.00 42.13 H new ATOM 0 HG2 GLU A 16 14.727 16.149 -6.444 1.00 50.24 H new ATOM 0 HG3 GLU A 16 13.376 17.147 -5.942 1.00 50.24 H new ATOM 222 N LEU A 17 12.231 14.054 -3.177 1.00 40.25 N ATOM 223 CA LEU A 17 11.295 12.937 -3.243 1.00 1.01 C ATOM 224 C LEU A 17 10.008 13.260 -2.492 1.00 12.45 C ATOM 225 O LEU A 17 8.933 12.779 -2.848 1.00 31.24 O ATOM 226 CB LEU A 17 11.935 11.675 -2.662 1.00 2.14 C ATOM 227 CG LEU A 17 11.349 11.172 -1.342 1.00 73.23 C ATOM 228 CD1 LEU A 17 10.071 10.385 -1.592 1.00 25.23 C ATOM 229 CD2 LEU A 17 12.366 10.319 -0.597 1.00 53.43 C ATOM 0 H LEU A 17 13.122 13.832 -2.732 1.00 40.25 H new ATOM 0 HA LEU A 17 11.049 12.763 -4.290 1.00 1.01 H new ATOM 0 HB2 LEU A 17 11.853 10.877 -3.400 1.00 2.14 H new ATOM 0 HB3 LEU A 17 12.998 11.865 -2.515 1.00 2.14 H new ATOM 0 HG LEU A 17 11.105 12.035 -0.722 1.00 73.23 H new ATOM 0 HD11 LEU A 17 9.668 10.035 -0.642 1.00 25.23 H new ATOM 0 HD12 LEU A 17 9.339 11.026 -2.083 1.00 25.23 H new ATOM 0 HD13 LEU A 17 10.290 9.529 -2.231 1.00 25.23 H new ATOM 0 HD21 LEU A 17 11.932 9.970 0.340 1.00 53.43 H new ATOM 0 HD22 LEU A 17 12.641 9.462 -1.211 1.00 53.43 H new ATOM 0 HD23 LEU A 17 13.255 10.914 -0.385 1.00 53.43 H new ATOM 241 N GLU A 18 10.125 14.080 -1.452 1.00 4.42 N ATOM 242 CA GLU A 18 8.970 14.469 -0.652 1.00 31.14 C ATOM 243 C GLU A 18 8.051 15.400 -1.438 1.00 64.42 C ATOM 244 O GLU A 18 6.836 15.208 -1.470 1.00 72.44 O ATOM 245 CB GLU A 18 9.423 15.153 0.640 1.00 51.22 C ATOM 246 CG GLU A 18 8.283 15.765 1.437 1.00 72.13 C ATOM 247 CD GLU A 18 8.314 17.281 1.429 1.00 34.14 C ATOM 248 OE1 GLU A 18 8.962 17.866 2.322 1.00 14.00 O ATOM 249 OE2 GLU A 18 7.689 17.882 0.530 1.00 23.00 O ATOM 0 H GLU A 18 11.008 14.488 -1.144 1.00 4.42 H new ATOM 0 HA GLU A 18 8.414 13.566 -0.401 1.00 31.14 H new ATOM 0 HB2 GLU A 18 9.942 14.425 1.264 1.00 51.22 H new ATOM 0 HB3 GLU A 18 10.144 15.933 0.395 1.00 51.22 H new ATOM 0 HG2 GLU A 18 7.333 15.423 1.027 1.00 72.13 H new ATOM 0 HG3 GLU A 18 8.332 15.410 2.466 1.00 72.13 H new ATOM 256 N ARG A 19 8.642 16.408 -2.071 1.00 11.44 N ATOM 257 CA ARG A 19 7.878 17.370 -2.856 1.00 14.25 C ATOM 258 C ARG A 19 7.166 16.682 -4.017 1.00 24.54 C ATOM 259 O ARG A 19 6.010 16.980 -4.314 1.00 43.33 O ATOM 260 CB ARG A 19 8.797 18.472 -3.387 1.00 75.44 C ATOM 261 CG ARG A 19 8.071 19.529 -4.203 1.00 12.32 C ATOM 262 CD ARG A 19 8.246 20.914 -3.600 1.00 53.40 C ATOM 263 NE ARG A 19 7.653 21.011 -2.269 1.00 35.00 N ATOM 264 CZ ARG A 19 7.451 22.161 -1.636 1.00 55.31 C ATOM 265 NH1 ARG A 19 7.792 23.307 -2.210 1.00 71.54 N ATOM 266 NH2 ARG A 19 6.905 22.168 -0.426 1.00 64.44 N ATOM 0 H ARG A 19 9.647 16.580 -2.056 1.00 11.44 H new ATOM 0 HA ARG A 19 7.126 17.816 -2.205 1.00 14.25 H new ATOM 0 HB2 ARG A 19 9.296 18.954 -2.546 1.00 75.44 H new ATOM 0 HB3 ARG A 19 9.574 18.020 -4.003 1.00 75.44 H new ATOM 0 HG2 ARG A 19 8.450 19.525 -5.225 1.00 12.32 H new ATOM 0 HG3 ARG A 19 7.010 19.285 -4.255 1.00 12.32 H new ATOM 0 HD2 ARG A 19 9.308 21.152 -3.542 1.00 53.40 H new ATOM 0 HD3 ARG A 19 7.788 21.655 -4.255 1.00 53.40 H new ATOM 0 HE ARG A 19 7.379 20.148 -1.800 1.00 35.00 H new ATOM 0 HH11 ARG A 19 8.211 23.307 -3.140 1.00 71.54 H new ATOM 0 HH12 ARG A 19 7.636 24.189 -1.721 1.00 71.54 H new ATOM 0 HH21 ARG A 19 6.640 21.289 0.019 1.00 64.44 H new ATOM 0 HH22 ARG A 19 6.751 23.052 0.059 1.00 64.44 H new ATOM 280 N ALA A 20 7.866 15.759 -4.669 1.00 21.12 N ATOM 281 CA ALA A 20 7.301 15.027 -5.796 1.00 4.02 C ATOM 282 C ALA A 20 6.166 14.114 -5.344 1.00 42.45 C ATOM 283 O ALA A 20 5.019 14.284 -5.757 1.00 73.32 O ATOM 284 CB ALA A 20 8.384 14.219 -6.496 1.00 40.11 C ATOM 0 H ALA A 20 8.825 15.501 -4.436 1.00 21.12 H new ATOM 0 HA ALA A 20 6.891 15.751 -6.500 1.00 4.02 H new ATOM 0 HB1 ALA A 20 7.948 13.677 -7.336 1.00 40.11 H new ATOM 0 HB2 ALA A 20 9.160 14.891 -6.861 1.00 40.11 H new ATOM 0 HB3 ALA A 20 8.820 13.509 -5.793 1.00 40.11 H new ATOM 290 N PHE A 21 6.494 13.146 -4.495 1.00 53.13 N ATOM 291 CA PHE A 21 5.501 12.205 -3.989 1.00 43.11 C ATOM 292 C PHE A 21 4.286 12.942 -3.433 1.00 44.54 C ATOM 293 O PHE A 21 3.145 12.597 -3.738 1.00 13.52 O ATOM 294 CB PHE A 21 6.115 11.319 -2.903 1.00 51.01 C ATOM 295 CG PHE A 21 6.747 10.066 -3.438 1.00 34.20 C ATOM 296 CD1 PHE A 21 7.942 10.121 -4.137 1.00 30.54 C ATOM 297 CD2 PHE A 21 6.146 8.833 -3.242 1.00 35.12 C ATOM 298 CE1 PHE A 21 8.525 8.969 -4.631 1.00 31.25 C ATOM 299 CE2 PHE A 21 6.724 7.678 -3.733 1.00 60.31 C ATOM 300 CZ PHE A 21 7.916 7.746 -4.427 1.00 71.25 C ATOM 0 H PHE A 21 7.439 12.992 -4.143 1.00 53.13 H new ATOM 0 HA PHE A 21 5.175 11.578 -4.819 1.00 43.11 H new ATOM 0 HB2 PHE A 21 6.866 11.892 -2.360 1.00 51.01 H new ATOM 0 HB3 PHE A 21 5.341 11.048 -2.186 1.00 51.01 H new ATOM 0 HD1 PHE A 21 8.423 11.074 -4.298 1.00 30.54 H new ATOM 0 HD2 PHE A 21 5.214 8.774 -2.699 1.00 35.12 H new ATOM 0 HE1 PHE A 21 9.456 9.025 -5.176 1.00 31.25 H new ATOM 0 HE2 PHE A 21 6.244 6.723 -3.574 1.00 60.31 H new ATOM 0 HZ PHE A 21 8.371 6.845 -4.810 1.00 71.25 H new ATOM 310 N SER A 22 4.542 13.959 -2.616 1.00 54.43 N ATOM 311 CA SER A 22 3.470 14.743 -2.014 1.00 12.40 C ATOM 312 C SER A 22 2.640 15.443 -3.086 1.00 51.01 C ATOM 313 O SER A 22 1.411 15.465 -3.020 1.00 34.33 O ATOM 314 CB SER A 22 4.048 15.777 -1.045 1.00 73.12 C ATOM 315 OG SER A 22 3.017 16.511 -0.407 1.00 73.53 O ATOM 0 H SER A 22 5.482 14.259 -2.356 1.00 54.43 H new ATOM 0 HA SER A 22 2.821 14.062 -1.464 1.00 12.40 H new ATOM 0 HB2 SER A 22 4.659 15.275 -0.295 1.00 73.12 H new ATOM 0 HB3 SER A 22 4.704 16.460 -1.585 1.00 73.12 H new ATOM 0 HG SER A 22 3.412 17.164 0.208 1.00 73.53 H new ATOM 321 N TYR A 23 3.321 16.014 -4.073 1.00 71.03 N ATOM 322 CA TYR A 23 2.648 16.717 -5.159 1.00 42.02 C ATOM 323 C TYR A 23 1.649 15.804 -5.863 1.00 32.13 C ATOM 324 O TYR A 23 0.543 16.222 -6.206 1.00 51.50 O ATOM 325 CB TYR A 23 3.672 17.243 -6.166 1.00 65.43 C ATOM 326 CG TYR A 23 4.024 18.700 -5.968 1.00 74.14 C ATOM 327 CD1 TYR A 23 4.216 19.222 -4.695 1.00 33.51 C ATOM 328 CD2 TYR A 23 4.162 19.555 -7.054 1.00 43.34 C ATOM 329 CE1 TYR A 23 4.536 20.552 -4.509 1.00 51.50 C ATOM 330 CE2 TYR A 23 4.484 20.887 -6.878 1.00 53.10 C ATOM 331 CZ TYR A 23 4.669 21.381 -5.604 1.00 3.04 C ATOM 332 OH TYR A 23 4.988 22.708 -5.424 1.00 22.53 O ATOM 0 H TYR A 23 4.339 16.004 -4.144 1.00 71.03 H new ATOM 0 HA TYR A 23 2.104 17.559 -4.730 1.00 42.02 H new ATOM 0 HB2 TYR A 23 4.581 16.645 -6.093 1.00 65.43 H new ATOM 0 HB3 TYR A 23 3.281 17.106 -7.174 1.00 65.43 H new ATOM 0 HD1 TYR A 23 4.113 18.576 -3.836 1.00 33.51 H new ATOM 0 HD2 TYR A 23 4.015 19.172 -8.053 1.00 43.34 H new ATOM 0 HE1 TYR A 23 4.681 20.941 -3.512 1.00 51.50 H new ATOM 0 HE2 TYR A 23 4.590 21.538 -7.733 1.00 53.10 H new ATOM 0 HH TYR A 23 5.045 23.152 -6.296 1.00 22.53 H new ATOM 342 N TYR A 24 2.046 14.554 -6.073 1.00 43.15 N ATOM 343 CA TYR A 24 1.188 13.581 -6.737 1.00 75.45 C ATOM 344 C TYR A 24 0.072 13.114 -5.807 1.00 23.31 C ATOM 345 O TYR A 24 -1.063 12.909 -6.234 1.00 12.43 O ATOM 346 CB TYR A 24 2.011 12.380 -7.208 1.00 14.22 C ATOM 347 CG TYR A 24 2.680 12.592 -8.547 1.00 1.32 C ATOM 348 CD1 TYR A 24 3.724 13.498 -8.688 1.00 65.41 C ATOM 349 CD2 TYR A 24 2.269 11.886 -9.671 1.00 14.43 C ATOM 350 CE1 TYR A 24 4.338 13.695 -9.910 1.00 24.03 C ATOM 351 CE2 TYR A 24 2.878 12.076 -10.896 1.00 53.31 C ATOM 352 CZ TYR A 24 3.912 12.982 -11.011 1.00 34.14 C ATOM 353 OH TYR A 24 4.522 13.175 -12.229 1.00 35.30 O ATOM 0 H TYR A 24 2.957 14.191 -5.793 1.00 43.15 H new ATOM 0 HA TYR A 24 0.736 14.065 -7.603 1.00 75.45 H new ATOM 0 HB2 TYR A 24 2.774 12.158 -6.462 1.00 14.22 H new ATOM 0 HB3 TYR A 24 1.361 11.507 -7.270 1.00 14.22 H new ATOM 0 HD1 TYR A 24 4.061 14.058 -7.828 1.00 65.41 H new ATOM 0 HD2 TYR A 24 1.459 11.176 -9.585 1.00 14.43 H new ATOM 0 HE1 TYR A 24 5.148 14.404 -10.003 1.00 24.03 H new ATOM 0 HE2 TYR A 24 2.546 11.518 -11.759 1.00 53.31 H new ATOM 0 HH TYR A 24 5.458 13.429 -12.089 1.00 35.30 H new ATOM 363 N GLY A 25 0.406 12.947 -4.531 1.00 1.34 N ATOM 364 CA GLY A 25 -0.577 12.506 -3.558 1.00 43.42 C ATOM 365 C GLY A 25 0.053 12.104 -2.239 1.00 54.51 C ATOM 366 O GLY A 25 1.246 11.810 -2.160 1.00 15.51 O ATOM 0 H GLY A 25 1.340 13.109 -4.154 1.00 1.34 H new ATOM 0 HA2 GLY A 25 -1.296 13.306 -3.385 1.00 43.42 H new ATOM 0 HA3 GLY A 25 -1.132 11.661 -3.965 1.00 43.42 H new ATOM 370 N PRO A 26 -0.760 12.090 -1.172 1.00 25.23 N ATOM 371 CA PRO A 26 -0.297 11.724 0.170 1.00 24.12 C ATOM 372 C PRO A 26 0.040 10.241 0.283 1.00 33.21 C ATOM 373 O PRO A 26 -0.840 9.385 0.179 1.00 64.44 O ATOM 374 CB PRO A 26 -1.490 12.071 1.064 1.00 2.10 C ATOM 375 CG PRO A 26 -2.674 11.992 0.163 1.00 23.42 C ATOM 376 CD PRO A 26 -2.192 12.429 -1.193 1.00 34.33 C ATOM 0 HA PRO A 26 0.621 12.245 0.440 1.00 24.12 H new ATOM 0 HB2 PRO A 26 -1.578 11.372 1.896 1.00 2.10 H new ATOM 0 HB3 PRO A 26 -1.386 13.067 1.494 1.00 2.10 H new ATOM 0 HG2 PRO A 26 -3.071 10.977 0.128 1.00 23.42 H new ATOM 0 HG3 PRO A 26 -3.478 12.637 0.518 1.00 23.42 H new ATOM 0 HD2 PRO A 26 -2.717 11.907 -1.993 1.00 34.33 H new ATOM 0 HD3 PRO A 26 -2.350 13.496 -1.351 1.00 34.33 H new ATOM 384 N LEU A 27 1.317 9.943 0.497 1.00 15.33 N ATOM 385 CA LEU A 27 1.769 8.562 0.625 1.00 2.41 C ATOM 386 C LEU A 27 1.645 8.080 2.067 1.00 63.12 C ATOM 387 O LEU A 27 1.181 8.813 2.939 1.00 14.44 O ATOM 388 CB LEU A 27 3.219 8.435 0.155 1.00 25.15 C ATOM 389 CG LEU A 27 4.158 9.573 0.559 1.00 61.50 C ATOM 390 CD1 LEU A 27 4.205 9.714 2.072 1.00 1.54 C ATOM 391 CD2 LEU A 27 5.554 9.336 0.000 1.00 14.20 C ATOM 0 H LEU A 27 2.057 10.639 0.585 1.00 15.33 H new ATOM 0 HA LEU A 27 1.134 7.937 -0.003 1.00 2.41 H new ATOM 0 HB2 LEU A 27 3.625 7.501 0.543 1.00 25.15 H new ATOM 0 HB3 LEU A 27 3.222 8.357 -0.932 1.00 25.15 H new ATOM 0 HG LEU A 27 3.773 10.503 0.140 1.00 61.50 H new ATOM 0 HD11 LEU A 27 4.878 10.528 2.341 1.00 1.54 H new ATOM 0 HD12 LEU A 27 3.205 9.930 2.449 1.00 1.54 H new ATOM 0 HD13 LEU A 27 4.566 8.785 2.513 1.00 1.54 H new ATOM 0 HD21 LEU A 27 6.209 10.155 0.297 1.00 14.20 H new ATOM 0 HD22 LEU A 27 5.947 8.397 0.390 1.00 14.20 H new ATOM 0 HD23 LEU A 27 5.507 9.286 -1.088 1.00 14.20 H new ATOM 403 N ARG A 28 2.066 6.843 2.310 1.00 71.25 N ATOM 404 CA ARG A 28 2.003 6.263 3.646 1.00 72.24 C ATOM 405 C ARG A 28 3.232 6.647 4.464 1.00 42.13 C ATOM 406 O ARG A 28 3.116 7.159 5.578 1.00 54.45 O ATOM 407 CB ARG A 28 1.891 4.740 3.559 1.00 74.42 C ATOM 408 CG ARG A 28 1.669 4.068 4.904 1.00 63.51 C ATOM 409 CD ARG A 28 2.694 2.972 5.155 1.00 72.04 C ATOM 410 NE ARG A 28 2.110 1.823 5.841 1.00 35.01 N ATOM 411 CZ ARG A 28 1.330 0.928 5.244 1.00 44.23 C ATOM 412 NH1 ARG A 28 1.044 1.049 3.955 1.00 51.02 N ATOM 413 NH2 ARG A 28 0.836 -0.091 5.936 1.00 44.52 N ATOM 0 H ARG A 28 2.454 6.223 1.599 1.00 71.25 H new ATOM 0 HA ARG A 28 1.118 6.658 4.145 1.00 72.24 H new ATOM 0 HB2 ARG A 28 1.067 4.482 2.893 1.00 74.42 H new ATOM 0 HB3 ARG A 28 2.801 4.342 3.109 1.00 74.42 H new ATOM 0 HG2 ARG A 28 1.729 4.812 5.698 1.00 63.51 H new ATOM 0 HG3 ARG A 28 0.665 3.644 4.939 1.00 63.51 H new ATOM 0 HD2 ARG A 28 3.119 2.649 4.205 1.00 72.04 H new ATOM 0 HD3 ARG A 28 3.514 3.372 5.752 1.00 72.04 H new ATOM 0 HE ARG A 28 2.312 1.701 6.833 1.00 35.01 H new ATOM 0 HH11 ARG A 28 1.423 1.830 3.420 1.00 51.02 H new ATOM 0 HH12 ARG A 28 0.445 0.361 3.499 1.00 51.02 H new ATOM 0 HH21 ARG A 28 1.055 -0.188 6.928 1.00 44.52 H new ATOM 0 HH22 ARG A 28 0.237 -0.777 5.476 1.00 44.52 H new ATOM 427 N THR A 29 4.412 6.396 3.904 1.00 74.12 N ATOM 428 CA THR A 29 5.662 6.713 4.581 1.00 4.51 C ATOM 429 C THR A 29 6.802 6.878 3.582 1.00 1.13 C ATOM 430 O THR A 29 6.684 6.487 2.421 1.00 44.52 O ATOM 431 CB THR A 29 6.042 5.623 5.601 1.00 71.14 C ATOM 432 OG1 THR A 29 5.534 4.354 5.173 1.00 43.25 O ATOM 433 CG2 THR A 29 5.492 5.956 6.979 1.00 33.02 C ATOM 0 H THR A 29 4.527 5.974 2.983 1.00 74.12 H new ATOM 0 HA THR A 29 5.505 7.654 5.108 1.00 4.51 H new ATOM 0 HB THR A 29 7.129 5.577 5.663 1.00 71.14 H new ATOM 0 HG1 THR A 29 5.781 3.666 5.826 1.00 43.25 H new ATOM 0 HG21 THR A 29 5.773 5.172 7.682 1.00 33.02 H new ATOM 0 HG22 THR A 29 5.903 6.908 7.314 1.00 33.02 H new ATOM 0 HG23 THR A 29 4.405 6.027 6.930 1.00 33.02 H new ATOM 441 N VAL A 30 7.906 7.458 4.042 1.00 43.53 N ATOM 442 CA VAL A 30 9.069 7.673 3.188 1.00 11.13 C ATOM 443 C VAL A 30 10.361 7.617 3.996 1.00 71.04 C ATOM 444 O VAL A 30 10.421 8.103 5.125 1.00 54.11 O ATOM 445 CB VAL A 30 8.989 9.029 2.461 1.00 20.35 C ATOM 446 CG1 VAL A 30 8.650 10.141 3.442 1.00 43.32 C ATOM 447 CG2 VAL A 30 10.295 9.323 1.739 1.00 72.13 C ATOM 0 H VAL A 30 8.020 7.787 5.001 1.00 43.53 H new ATOM 0 HA VAL A 30 9.071 6.873 2.448 1.00 11.13 H new ATOM 0 HB VAL A 30 8.193 8.978 1.718 1.00 20.35 H new ATOM 0 HG11 VAL A 30 8.598 11.091 2.911 1.00 43.32 H new ATOM 0 HG12 VAL A 30 7.687 9.933 3.909 1.00 43.32 H new ATOM 0 HG13 VAL A 30 9.422 10.197 4.210 1.00 43.32 H new ATOM 0 HG21 VAL A 30 10.221 10.284 1.231 1.00 72.13 H new ATOM 0 HG22 VAL A 30 11.111 9.356 2.461 1.00 72.13 H new ATOM 0 HG23 VAL A 30 10.490 8.540 1.007 1.00 72.13 H new ATOM 457 N TRP A 31 11.393 7.022 3.409 1.00 72.42 N ATOM 458 CA TRP A 31 12.685 6.902 4.074 1.00 45.32 C ATOM 459 C TRP A 31 13.806 6.716 3.057 1.00 52.14 C ATOM 460 O TRP A 31 13.684 5.921 2.124 1.00 31.14 O ATOM 461 CB TRP A 31 12.671 5.729 5.055 1.00 12.33 C ATOM 462 CG TRP A 31 12.376 4.412 4.403 1.00 43.51 C ATOM 463 CD1 TRP A 31 11.191 4.018 3.852 1.00 35.20 C ATOM 464 CD2 TRP A 31 13.283 3.317 4.235 1.00 0.33 C ATOM 465 NE1 TRP A 31 11.306 2.743 3.352 1.00 14.11 N ATOM 466 CE2 TRP A 31 12.580 2.292 3.574 1.00 74.51 C ATOM 467 CE3 TRP A 31 14.621 3.104 4.578 1.00 70.15 C ATOM 468 CZ2 TRP A 31 13.170 1.073 3.251 1.00 65.12 C ATOM 469 CZ3 TRP A 31 15.206 1.894 4.256 1.00 32.35 C ATOM 470 CH2 TRP A 31 14.482 0.891 3.598 1.00 54.11 C ATOM 0 H TRP A 31 11.360 6.615 2.474 1.00 72.42 H new ATOM 0 HA TRP A 31 12.868 7.825 4.625 1.00 45.32 H new ATOM 0 HB2 TRP A 31 13.638 5.671 5.554 1.00 12.33 H new ATOM 0 HB3 TRP A 31 11.925 5.919 5.827 1.00 12.33 H new ATOM 0 HD1 TRP A 31 10.295 4.620 3.814 1.00 35.20 H new ATOM 0 HE1 TRP A 31 10.563 2.218 2.891 1.00 14.11 H new ATOM 0 HE3 TRP A 31 15.187 3.871 5.085 1.00 70.15 H new ATOM 0 HZ2 TRP A 31 12.613 0.299 2.745 1.00 65.12 H new ATOM 0 HZ3 TRP A 31 16.239 1.718 4.516 1.00 32.35 H new ATOM 0 HH2 TRP A 31 14.968 -0.044 3.360 1.00 54.11 H new ATOM 481 N ILE A 32 14.896 7.453 3.242 1.00 52.23 N ATOM 482 CA ILE A 32 16.038 7.367 2.340 1.00 13.10 C ATOM 483 C ILE A 32 17.211 6.655 3.005 1.00 72.00 C ATOM 484 O ILE A 32 17.361 6.692 4.226 1.00 61.22 O ATOM 485 CB ILE A 32 16.495 8.763 1.876 1.00 22.41 C ATOM 486 CG1 ILE A 32 15.315 9.543 1.294 1.00 14.15 C ATOM 487 CG2 ILE A 32 17.613 8.640 0.851 1.00 13.10 C ATOM 488 CD1 ILE A 32 14.690 10.513 2.273 1.00 21.54 C ATOM 0 H ILE A 32 15.012 8.116 4.008 1.00 52.23 H new ATOM 0 HA ILE A 32 15.713 6.793 1.472 1.00 13.10 H new ATOM 0 HB ILE A 32 16.877 9.309 2.738 1.00 22.41 H new ATOM 0 HG12 ILE A 32 15.651 10.093 0.415 1.00 14.15 H new ATOM 0 HG13 ILE A 32 14.555 8.838 0.958 1.00 14.15 H new ATOM 0 HG21 ILE A 32 17.926 9.634 0.532 1.00 13.10 H new ATOM 0 HG22 ILE A 32 18.460 8.119 1.297 1.00 13.10 H new ATOM 0 HG23 ILE A 32 17.255 8.078 -0.012 1.00 13.10 H new ATOM 0 HD11 ILE A 32 13.860 11.031 1.792 1.00 21.54 H new ATOM 0 HD12 ILE A 32 14.323 9.967 3.142 1.00 21.54 H new ATOM 0 HD13 ILE A 32 15.437 11.241 2.591 1.00 21.54 H new ATOM 500 N ALA A 33 18.041 6.008 2.193 1.00 53.51 N ATOM 501 CA ALA A 33 19.203 5.291 2.702 1.00 70.02 C ATOM 502 C ALA A 33 20.491 6.049 2.401 1.00 3.53 C ATOM 503 O ALA A 33 20.928 6.119 1.252 1.00 24.45 O ATOM 504 CB ALA A 33 19.261 3.892 2.107 1.00 23.44 C ATOM 0 H ALA A 33 17.930 5.966 1.180 1.00 53.51 H new ATOM 0 HA ALA A 33 19.104 5.211 3.785 1.00 70.02 H new ATOM 0 HB1 ALA A 33 20.134 3.367 2.496 1.00 23.44 H new ATOM 0 HB2 ALA A 33 18.358 3.344 2.377 1.00 23.44 H new ATOM 0 HB3 ALA A 33 19.333 3.961 1.022 1.00 23.44 H new ATOM 510 N ARG A 34 21.094 6.618 3.441 1.00 62.45 N ATOM 511 CA ARG A 34 22.332 7.373 3.287 1.00 74.12 C ATOM 512 C ARG A 34 23.524 6.435 3.121 1.00 51.20 C ATOM 513 O ARG A 34 24.543 6.808 2.541 1.00 31.40 O ATOM 514 CB ARG A 34 22.551 8.285 4.495 1.00 12.11 C ATOM 515 CG ARG A 34 22.621 9.761 4.139 1.00 3.11 C ATOM 516 CD ARG A 34 22.859 10.621 5.371 1.00 73.40 C ATOM 517 NE ARG A 34 22.780 12.047 5.067 1.00 62.23 N ATOM 518 CZ ARG A 34 23.721 12.710 4.404 1.00 62.32 C ATOM 519 NH1 ARG A 34 24.806 12.078 3.978 1.00 44.23 N ATOM 520 NH2 ARG A 34 23.578 14.007 4.165 1.00 14.15 N ATOM 0 H ARG A 34 20.745 6.570 4.398 1.00 62.45 H new ATOM 0 HA ARG A 34 22.246 7.985 2.389 1.00 74.12 H new ATOM 0 HB2 ARG A 34 21.741 8.130 5.208 1.00 12.11 H new ATOM 0 HB3 ARG A 34 23.476 7.996 4.995 1.00 12.11 H new ATOM 0 HG2 ARG A 34 23.423 9.925 3.419 1.00 3.11 H new ATOM 0 HG3 ARG A 34 21.692 10.064 3.656 1.00 3.11 H new ATOM 0 HD2 ARG A 34 22.122 10.372 6.135 1.00 73.40 H new ATOM 0 HD3 ARG A 34 23.840 10.393 5.788 1.00 73.40 H new ATOM 0 HE ARG A 34 21.957 12.562 5.381 1.00 62.23 H new ATOM 0 HH11 ARG A 34 24.919 11.081 4.159 1.00 44.23 H new ATOM 0 HH12 ARG A 34 25.527 12.589 3.469 1.00 44.23 H new ATOM 0 HH21 ARG A 34 22.745 14.497 4.490 1.00 14.15 H new ATOM 0 HH22 ARG A 34 24.302 14.515 3.656 1.00 14.15 H new ATOM 534 N ASN A 35 23.388 5.217 3.635 1.00 2.12 N ATOM 535 CA ASN A 35 24.455 4.226 3.545 1.00 14.31 C ATOM 536 C ASN A 35 24.983 4.124 2.117 1.00 33.24 C ATOM 537 O ASN A 35 26.163 4.349 1.848 1.00 72.11 O ATOM 538 CB ASN A 35 23.950 2.860 4.014 1.00 63.24 C ATOM 539 CG ASN A 35 24.502 2.475 5.373 1.00 53.01 C ATOM 540 OD1 ASN A 35 25.706 2.274 5.533 1.00 52.45 O ATOM 541 ND2 ASN A 35 23.620 2.370 6.361 1.00 63.04 N ATOM 0 H ASN A 35 22.550 4.892 4.118 1.00 2.12 H new ATOM 0 HA ASN A 35 25.271 4.546 4.193 1.00 14.31 H new ATOM 0 HB2 ASN A 35 22.861 2.874 4.058 1.00 63.24 H new ATOM 0 HB3 ASN A 35 24.230 2.102 3.283 1.00 63.24 H new ATOM 0 HD21 ASN A 35 23.932 2.114 7.298 1.00 63.04 H new ATOM 0 HD22 ASN A 35 22.631 2.546 6.183 1.00 63.04 H new ATOM 548 N PRO A 36 24.089 3.776 1.179 1.00 0.45 N ATOM 549 CA PRO A 36 24.441 3.637 -0.237 1.00 3.33 C ATOM 550 C PRO A 36 24.753 4.979 -0.891 1.00 61.20 C ATOM 551 O PRO A 36 24.529 6.044 -0.316 1.00 51.20 O ATOM 552 CB PRO A 36 23.185 3.020 -0.856 1.00 30.53 C ATOM 553 CG PRO A 36 22.075 3.433 0.048 1.00 51.34 C ATOM 554 CD PRO A 36 22.666 3.493 1.429 1.00 13.31 C ATOM 0 HA PRO A 36 25.340 3.037 -0.376 1.00 3.33 H new ATOM 0 HB2 PRO A 36 23.025 3.383 -1.871 1.00 30.53 H new ATOM 0 HB3 PRO A 36 23.265 1.935 -0.915 1.00 30.53 H new ATOM 0 HG2 PRO A 36 21.672 4.402 -0.246 1.00 51.34 H new ATOM 0 HG3 PRO A 36 21.252 2.720 0.006 1.00 51.34 H new ATOM 0 HD2 PRO A 36 22.201 4.273 2.032 1.00 13.31 H new ATOM 0 HD3 PRO A 36 22.531 2.553 1.965 1.00 13.31 H new ATOM 562 N PRO A 37 25.282 4.929 -2.123 1.00 22.25 N ATOM 563 CA PRO A 37 25.635 6.132 -2.882 1.00 71.11 C ATOM 564 C PRO A 37 24.406 6.912 -3.336 1.00 11.35 C ATOM 565 O PRO A 37 24.495 8.096 -3.658 1.00 55.14 O ATOM 566 CB PRO A 37 26.393 5.578 -4.091 1.00 41.52 C ATOM 567 CG PRO A 37 25.882 4.189 -4.255 1.00 70.22 C ATOM 568 CD PRO A 37 25.576 3.694 -2.869 1.00 22.34 C ATOM 0 HA PRO A 37 26.214 6.836 -2.284 1.00 71.11 H new ATOM 0 HB2 PRO A 37 26.207 6.176 -4.983 1.00 41.52 H new ATOM 0 HB3 PRO A 37 27.470 5.586 -3.921 1.00 41.52 H new ATOM 0 HG2 PRO A 37 24.990 4.173 -4.881 1.00 70.22 H new ATOM 0 HG3 PRO A 37 26.624 3.555 -4.741 1.00 70.22 H new ATOM 0 HD2 PRO A 37 24.727 3.010 -2.865 1.00 22.34 H new ATOM 0 HD3 PRO A 37 26.421 3.156 -2.439 1.00 22.34 H new ATOM 576 N GLY A 38 23.258 6.241 -3.357 1.00 25.31 N ATOM 577 CA GLY A 38 22.028 6.888 -3.772 1.00 73.01 C ATOM 578 C GLY A 38 20.879 5.910 -3.919 1.00 22.31 C ATOM 579 O GLY A 38 20.574 5.460 -5.024 1.00 3.31 O ATOM 0 H GLY A 38 23.159 5.261 -3.094 1.00 25.31 H new ATOM 0 HA2 GLY A 38 21.759 7.652 -3.043 1.00 73.01 H new ATOM 0 HA3 GLY A 38 22.191 7.397 -4.722 1.00 73.01 H new ATOM 583 N PHE A 39 20.241 5.577 -2.802 1.00 12.12 N ATOM 584 CA PHE A 39 19.121 4.643 -2.810 1.00 52.34 C ATOM 585 C PHE A 39 18.112 4.994 -1.721 1.00 20.14 C ATOM 586 O PHE A 39 18.447 5.027 -0.537 1.00 23.30 O ATOM 587 CB PHE A 39 19.622 3.211 -2.615 1.00 61.14 C ATOM 588 CG PHE A 39 20.182 2.596 -3.866 1.00 51.23 C ATOM 589 CD1 PHE A 39 19.468 2.636 -5.053 1.00 41.32 C ATOM 590 CD2 PHE A 39 21.422 1.978 -3.855 1.00 72.31 C ATOM 591 CE1 PHE A 39 19.981 2.072 -6.206 1.00 75.12 C ATOM 592 CE2 PHE A 39 21.939 1.412 -5.005 1.00 4.10 C ATOM 593 CZ PHE A 39 21.217 1.458 -6.182 1.00 5.14 C ATOM 0 H PHE A 39 20.480 5.940 -1.879 1.00 12.12 H new ATOM 0 HA PHE A 39 18.625 4.718 -3.778 1.00 52.34 H new ATOM 0 HB2 PHE A 39 20.390 3.206 -1.842 1.00 61.14 H new ATOM 0 HB3 PHE A 39 18.800 2.593 -2.252 1.00 61.14 H new ATOM 0 HD1 PHE A 39 18.500 3.113 -5.078 1.00 41.32 H new ATOM 0 HD2 PHE A 39 21.991 1.938 -2.938 1.00 72.31 H new ATOM 0 HE1 PHE A 39 19.415 2.112 -7.125 1.00 75.12 H new ATOM 0 HE2 PHE A 39 22.907 0.934 -4.984 1.00 4.10 H new ATOM 0 HZ PHE A 39 21.619 1.015 -7.081 1.00 5.14 H new ATOM 603 N ALA A 40 16.875 5.256 -2.130 1.00 30.32 N ATOM 604 CA ALA A 40 15.817 5.602 -1.189 1.00 54.54 C ATOM 605 C ALA A 40 14.581 4.736 -1.410 1.00 1.33 C ATOM 606 O ALA A 40 14.334 4.260 -2.518 1.00 22.33 O ATOM 607 CB ALA A 40 15.460 7.076 -1.316 1.00 51.23 C ATOM 0 H ALA A 40 16.581 5.235 -3.107 1.00 30.32 H new ATOM 0 HA ALA A 40 16.185 5.413 -0.181 1.00 54.54 H new ATOM 0 HB1 ALA A 40 14.669 7.321 -0.608 1.00 51.23 H new ATOM 0 HB2 ALA A 40 16.340 7.683 -1.102 1.00 51.23 H new ATOM 0 HB3 ALA A 40 15.116 7.281 -2.330 1.00 51.23 H new ATOM 613 N PHE A 41 13.808 4.536 -0.348 1.00 31.44 N ATOM 614 CA PHE A 41 12.598 3.725 -0.425 1.00 23.21 C ATOM 615 C PHE A 41 11.387 4.506 0.076 1.00 40.11 C ATOM 616 O PHE A 41 11.497 5.327 0.987 1.00 73.21 O ATOM 617 CB PHE A 41 12.766 2.442 0.392 1.00 14.25 C ATOM 618 CG PHE A 41 13.102 1.239 -0.442 1.00 12.32 C ATOM 619 CD1 PHE A 41 14.315 1.157 -1.106 1.00 2.54 C ATOM 620 CD2 PHE A 41 12.205 0.190 -0.562 1.00 13.32 C ATOM 621 CE1 PHE A 41 14.627 0.052 -1.875 1.00 14.14 C ATOM 622 CE2 PHE A 41 12.511 -0.918 -1.329 1.00 73.00 C ATOM 623 CZ PHE A 41 13.724 -0.987 -1.985 1.00 71.54 C ATOM 0 H PHE A 41 13.998 4.924 0.576 1.00 31.44 H new ATOM 0 HA PHE A 41 12.432 3.463 -1.470 1.00 23.21 H new ATOM 0 HB2 PHE A 41 13.552 2.592 1.132 1.00 14.25 H new ATOM 0 HB3 PHE A 41 11.845 2.247 0.941 1.00 14.25 H new ATOM 0 HD1 PHE A 41 15.025 1.966 -1.022 1.00 2.54 H new ATOM 0 HD2 PHE A 41 11.255 0.239 -0.050 1.00 13.32 H new ATOM 0 HE1 PHE A 41 15.575 0.001 -2.389 1.00 14.14 H new ATOM 0 HE2 PHE A 41 11.803 -1.729 -1.415 1.00 73.00 H new ATOM 0 HZ PHE A 41 13.966 -1.853 -2.584 1.00 71.54 H new ATOM 633 N VAL A 42 10.231 4.245 -0.527 1.00 24.01 N ATOM 634 CA VAL A 42 8.999 4.922 -0.143 1.00 13.30 C ATOM 635 C VAL A 42 7.823 3.952 -0.119 1.00 21.14 C ATOM 636 O VAL A 42 7.811 2.959 -0.845 1.00 72.21 O ATOM 637 CB VAL A 42 8.673 6.082 -1.103 1.00 1.01 C ATOM 638 CG1 VAL A 42 7.501 6.897 -0.577 1.00 44.34 C ATOM 639 CG2 VAL A 42 9.896 6.962 -1.308 1.00 44.53 C ATOM 0 H VAL A 42 10.123 3.569 -1.283 1.00 24.01 H new ATOM 0 HA VAL A 42 9.157 5.322 0.859 1.00 13.30 H new ATOM 0 HB VAL A 42 8.389 5.664 -2.069 1.00 1.01 H new ATOM 0 HG11 VAL A 42 7.285 7.712 -1.268 1.00 44.34 H new ATOM 0 HG12 VAL A 42 6.624 6.256 -0.486 1.00 44.34 H new ATOM 0 HG13 VAL A 42 7.753 7.308 0.401 1.00 44.34 H new ATOM 0 HG21 VAL A 42 9.648 7.776 -1.989 1.00 44.53 H new ATOM 0 HG22 VAL A 42 10.213 7.374 -0.350 1.00 44.53 H new ATOM 0 HG23 VAL A 42 10.705 6.368 -1.733 1.00 44.53 H new ATOM 649 N GLU A 43 6.836 4.247 0.722 1.00 43.23 N ATOM 650 CA GLU A 43 5.656 3.400 0.840 1.00 34.35 C ATOM 651 C GLU A 43 4.383 4.199 0.574 1.00 22.20 C ATOM 652 O GLU A 43 4.163 5.254 1.169 1.00 23.13 O ATOM 653 CB GLU A 43 5.592 2.768 2.233 1.00 70.24 C ATOM 654 CG GLU A 43 5.260 1.285 2.213 1.00 5.14 C ATOM 655 CD GLU A 43 6.445 0.417 2.591 1.00 44.43 C ATOM 656 OE1 GLU A 43 7.317 0.195 1.724 1.00 12.00 O ATOM 657 OE2 GLU A 43 6.501 -0.039 3.752 1.00 65.15 O ATOM 0 H GLU A 43 6.831 5.065 1.331 1.00 43.23 H new ATOM 0 HA GLU A 43 5.731 2.610 0.093 1.00 34.35 H new ATOM 0 HB2 GLU A 43 6.551 2.911 2.732 1.00 70.24 H new ATOM 0 HB3 GLU A 43 4.843 3.292 2.826 1.00 70.24 H new ATOM 0 HG2 GLU A 43 4.438 1.091 2.902 1.00 5.14 H new ATOM 0 HG3 GLU A 43 4.914 1.007 1.217 1.00 5.14 H new ATOM 664 N PHE A 44 3.548 3.688 -0.325 1.00 45.43 N ATOM 665 CA PHE A 44 2.299 4.354 -0.673 1.00 15.33 C ATOM 666 C PHE A 44 1.100 3.574 -0.141 1.00 22.42 C ATOM 667 O PHE A 44 0.956 2.381 -0.407 1.00 63.10 O ATOM 668 CB PHE A 44 2.185 4.513 -2.190 1.00 62.13 C ATOM 669 CG PHE A 44 2.043 5.941 -2.635 1.00 21.41 C ATOM 670 CD1 PHE A 44 0.952 6.698 -2.240 1.00 73.52 C ATOM 671 CD2 PHE A 44 3.001 6.526 -3.447 1.00 22.21 C ATOM 672 CE1 PHE A 44 0.818 8.011 -2.649 1.00 3.14 C ATOM 673 CE2 PHE A 44 2.873 7.839 -3.858 1.00 44.21 C ATOM 674 CZ PHE A 44 1.781 8.583 -3.457 1.00 51.15 C ATOM 0 H PHE A 44 3.714 2.815 -0.825 1.00 45.43 H new ATOM 0 HA PHE A 44 2.303 5.341 -0.211 1.00 15.33 H new ATOM 0 HB2 PHE A 44 3.068 4.081 -2.660 1.00 62.13 H new ATOM 0 HB3 PHE A 44 1.325 3.944 -2.543 1.00 62.13 H new ATOM 0 HD1 PHE A 44 0.198 6.257 -1.605 1.00 73.52 H new ATOM 0 HD2 PHE A 44 3.858 5.949 -3.762 1.00 22.21 H new ATOM 0 HE1 PHE A 44 -0.039 8.589 -2.337 1.00 3.14 H new ATOM 0 HE2 PHE A 44 3.626 8.283 -4.492 1.00 44.21 H new ATOM 0 HZ PHE A 44 1.680 9.610 -3.775 1.00 51.15 H new ATOM 684 N GLU A 45 0.244 4.256 0.613 1.00 50.31 N ATOM 685 CA GLU A 45 -0.941 3.626 1.184 1.00 41.35 C ATOM 686 C GLU A 45 -1.710 2.850 0.119 1.00 74.12 C ATOM 687 O GLU A 45 -2.252 1.778 0.388 1.00 73.54 O ATOM 688 CB GLU A 45 -1.850 4.680 1.819 1.00 52.33 C ATOM 689 CG GLU A 45 -2.357 5.720 0.834 1.00 50.33 C ATOM 690 CD GLU A 45 -3.022 6.898 1.519 1.00 31.04 C ATOM 691 OE1 GLU A 45 -3.305 6.797 2.731 1.00 13.23 O ATOM 692 OE2 GLU A 45 -3.259 7.921 0.843 1.00 30.01 O ATOM 0 H GLU A 45 0.349 5.244 0.843 1.00 50.31 H new ATOM 0 HA GLU A 45 -0.615 2.927 1.954 1.00 41.35 H new ATOM 0 HB2 GLU A 45 -2.703 4.182 2.280 1.00 52.33 H new ATOM 0 HB3 GLU A 45 -1.305 5.183 2.618 1.00 52.33 H new ATOM 0 HG2 GLU A 45 -1.524 6.079 0.230 1.00 50.33 H new ATOM 0 HG3 GLU A 45 -3.067 5.253 0.152 1.00 50.33 H new ATOM 699 N ASP A 46 -1.754 3.400 -1.090 1.00 31.53 N ATOM 700 CA ASP A 46 -2.456 2.759 -2.196 1.00 14.41 C ATOM 701 C ASP A 46 -1.517 2.529 -3.376 1.00 0.44 C ATOM 702 O ASP A 46 -0.570 3.283 -3.603 1.00 53.10 O ATOM 703 CB ASP A 46 -3.647 3.614 -2.635 1.00 22.41 C ATOM 704 CG ASP A 46 -4.975 3.009 -2.226 1.00 14.03 C ATOM 705 OD1 ASP A 46 -5.039 2.398 -1.139 1.00 11.14 O ATOM 706 OD2 ASP A 46 -5.951 3.146 -2.993 1.00 35.00 O ATOM 0 H ASP A 46 -1.312 4.288 -1.329 1.00 31.53 H new ATOM 0 HA ASP A 46 -2.820 1.791 -1.851 1.00 14.41 H new ATOM 0 HB2 ASP A 46 -3.555 4.610 -2.201 1.00 22.41 H new ATOM 0 HB3 ASP A 46 -3.624 3.735 -3.718 1.00 22.41 H new ATOM 711 N PRO A 47 -1.782 1.463 -4.145 1.00 32.15 N ATOM 712 CA PRO A 47 -0.972 1.108 -5.313 1.00 44.44 C ATOM 713 C PRO A 47 -1.142 2.100 -6.459 1.00 73.24 C ATOM 714 O PRO A 47 -0.167 2.507 -7.091 1.00 20.12 O ATOM 715 CB PRO A 47 -1.508 -0.268 -5.713 1.00 33.31 C ATOM 716 CG PRO A 47 -2.905 -0.295 -5.195 1.00 61.40 C ATOM 717 CD PRO A 47 -2.894 0.521 -3.932 1.00 52.14 C ATOM 0 HA PRO A 47 0.094 1.115 -5.086 1.00 44.44 H new ATOM 0 HB2 PRO A 47 -1.484 -0.403 -6.794 1.00 33.31 H new ATOM 0 HB3 PRO A 47 -0.909 -1.068 -5.278 1.00 33.31 H new ATOM 0 HG2 PRO A 47 -3.600 0.123 -5.924 1.00 61.40 H new ATOM 0 HG3 PRO A 47 -3.228 -1.317 -4.997 1.00 61.40 H new ATOM 0 HD2 PRO A 47 -3.839 1.042 -3.782 1.00 52.14 H new ATOM 0 HD3 PRO A 47 -2.730 -0.102 -3.052 1.00 52.14 H new ATOM 725 N ARG A 48 -2.387 2.485 -6.722 1.00 61.44 N ATOM 726 CA ARG A 48 -2.685 3.428 -7.793 1.00 43.12 C ATOM 727 C ARG A 48 -1.844 4.693 -7.653 1.00 5.44 C ATOM 728 O ARG A 48 -1.204 5.135 -8.607 1.00 70.04 O ATOM 729 CB ARG A 48 -4.172 3.788 -7.786 1.00 24.20 C ATOM 730 CG ARG A 48 -4.549 4.837 -8.818 1.00 53.44 C ATOM 731 CD ARG A 48 -5.998 5.273 -8.666 1.00 33.40 C ATOM 732 NE ARG A 48 -6.245 5.912 -7.376 1.00 40.13 N ATOM 733 CZ ARG A 48 -7.392 6.500 -7.055 1.00 31.52 C ATOM 734 NH1 ARG A 48 -8.393 6.528 -7.924 1.00 43.02 N ATOM 735 NH2 ARG A 48 -7.540 7.060 -5.861 1.00 73.31 N ATOM 0 H ARG A 48 -3.205 2.158 -6.208 1.00 61.44 H new ATOM 0 HA ARG A 48 -2.438 2.951 -8.742 1.00 43.12 H new ATOM 0 HB2 ARG A 48 -4.756 2.886 -7.967 1.00 24.20 H new ATOM 0 HB3 ARG A 48 -4.445 4.151 -6.795 1.00 24.20 H new ATOM 0 HG2 ARG A 48 -3.895 5.703 -8.714 1.00 53.44 H new ATOM 0 HG3 ARG A 48 -4.392 4.437 -9.820 1.00 53.44 H new ATOM 0 HD2 ARG A 48 -6.254 5.965 -9.468 1.00 33.40 H new ATOM 0 HD3 ARG A 48 -6.650 4.406 -8.772 1.00 33.40 H new ATOM 0 HE ARG A 48 -5.496 5.906 -6.684 1.00 40.13 H new ATOM 0 HH11 ARG A 48 -8.284 6.097 -8.842 1.00 43.02 H new ATOM 0 HH12 ARG A 48 -9.273 6.980 -7.674 1.00 43.02 H new ATOM 0 HH21 ARG A 48 -6.773 7.039 -5.189 1.00 73.31 H new ATOM 0 HH22 ARG A 48 -8.421 7.511 -5.615 1.00 73.31 H new ATOM 749 N ASP A 49 -1.850 5.272 -6.457 1.00 22.43 N ATOM 750 CA ASP A 49 -1.087 6.486 -6.190 1.00 72.15 C ATOM 751 C ASP A 49 0.400 6.259 -6.441 1.00 44.22 C ATOM 752 O ASP A 49 1.092 7.132 -6.965 1.00 55.12 O ATOM 753 CB ASP A 49 -1.310 6.948 -4.749 1.00 63.35 C ATOM 754 CG ASP A 49 -2.780 7.025 -4.387 1.00 23.44 C ATOM 755 OD1 ASP A 49 -3.431 5.961 -4.320 1.00 72.00 O ATOM 756 OD2 ASP A 49 -3.278 8.148 -4.168 1.00 55.22 O ATOM 0 H ASP A 49 -2.375 4.920 -5.657 1.00 22.43 H new ATOM 0 HA ASP A 49 -1.437 7.263 -6.870 1.00 72.15 H new ATOM 0 HB2 ASP A 49 -0.807 6.261 -4.068 1.00 63.35 H new ATOM 0 HB3 ASP A 49 -0.853 7.928 -4.610 1.00 63.35 H new ATOM 761 N ALA A 50 0.886 5.082 -6.062 1.00 64.21 N ATOM 762 CA ALA A 50 2.291 4.740 -6.247 1.00 4.24 C ATOM 763 C ALA A 50 2.626 4.572 -7.725 1.00 11.11 C ATOM 764 O ALA A 50 3.676 5.017 -8.187 1.00 22.32 O ATOM 765 CB ALA A 50 2.631 3.471 -5.479 1.00 42.20 C ATOM 0 H ALA A 50 0.328 4.349 -5.625 1.00 64.21 H new ATOM 0 HA ALA A 50 2.893 5.560 -5.856 1.00 4.24 H new ATOM 0 HB1 ALA A 50 3.683 3.227 -5.626 1.00 42.20 H new ATOM 0 HB2 ALA A 50 2.440 3.626 -4.417 1.00 42.20 H new ATOM 0 HB3 ALA A 50 2.014 2.649 -5.843 1.00 42.20 H new ATOM 771 N GLU A 51 1.726 3.927 -8.461 1.00 3.10 N ATOM 772 CA GLU A 51 1.928 3.700 -9.887 1.00 64.31 C ATOM 773 C GLU A 51 2.026 5.023 -10.641 1.00 3.04 C ATOM 774 O GLU A 51 2.882 5.193 -11.509 1.00 51.23 O ATOM 775 CB GLU A 51 0.786 2.858 -10.459 1.00 32.21 C ATOM 776 CG GLU A 51 0.813 2.743 -11.974 1.00 2.42 C ATOM 777 CD GLU A 51 0.182 1.458 -12.473 1.00 41.22 C ATOM 778 OE1 GLU A 51 0.592 0.375 -12.006 1.00 73.13 O ATOM 779 OE2 GLU A 51 -0.722 1.536 -13.331 1.00 50.43 O ATOM 0 H GLU A 51 0.851 3.553 -8.094 1.00 3.10 H new ATOM 0 HA GLU A 51 2.866 3.160 -10.013 1.00 64.31 H new ATOM 0 HB2 GLU A 51 0.831 1.858 -10.027 1.00 32.21 H new ATOM 0 HB3 GLU A 51 -0.165 3.295 -10.153 1.00 32.21 H new ATOM 0 HG2 GLU A 51 0.288 3.594 -12.409 1.00 2.42 H new ATOM 0 HG3 GLU A 51 1.845 2.795 -12.320 1.00 2.42 H new ATOM 786 N ASP A 52 1.144 5.956 -10.302 1.00 12.32 N ATOM 787 CA ASP A 52 1.130 7.265 -10.945 1.00 50.02 C ATOM 788 C ASP A 52 2.381 8.060 -10.586 1.00 43.31 C ATOM 789 O ASP A 52 3.028 8.645 -11.455 1.00 15.01 O ATOM 790 CB ASP A 52 -0.120 8.045 -10.536 1.00 12.14 C ATOM 791 CG ASP A 52 -1.010 8.375 -11.718 1.00 31.21 C ATOM 792 OD1 ASP A 52 -0.499 8.945 -12.705 1.00 32.02 O ATOM 793 OD2 ASP A 52 -2.217 8.062 -11.657 1.00 33.13 O ATOM 0 H ASP A 52 0.429 5.831 -9.585 1.00 12.32 H new ATOM 0 HA ASP A 52 1.116 7.112 -12.024 1.00 50.02 H new ATOM 0 HB2 ASP A 52 -0.687 7.462 -9.810 1.00 12.14 H new ATOM 0 HB3 ASP A 52 0.178 8.969 -10.040 1.00 12.14 H new ATOM 798 N ALA A 53 2.716 8.078 -9.300 1.00 42.01 N ATOM 799 CA ALA A 53 3.890 8.801 -8.826 1.00 61.54 C ATOM 800 C ALA A 53 5.157 8.298 -9.510 1.00 21.41 C ATOM 801 O ALA A 53 6.014 9.086 -9.909 1.00 40.12 O ATOM 802 CB ALA A 53 4.016 8.670 -7.316 1.00 11.43 C ATOM 0 H ALA A 53 2.191 7.600 -8.568 1.00 42.01 H new ATOM 0 HA ALA A 53 3.765 9.854 -9.079 1.00 61.54 H new ATOM 0 HB1 ALA A 53 4.897 9.215 -6.976 1.00 11.43 H new ATOM 0 HB2 ALA A 53 3.127 9.084 -6.839 1.00 11.43 H new ATOM 0 HB3 ALA A 53 4.114 7.618 -7.049 1.00 11.43 H new ATOM 808 N VAL A 54 5.270 6.980 -9.641 1.00 30.41 N ATOM 809 CA VAL A 54 6.433 6.371 -10.277 1.00 14.34 C ATOM 810 C VAL A 54 6.493 6.719 -11.760 1.00 11.33 C ATOM 811 O VAL A 54 7.479 7.281 -12.236 1.00 64.13 O ATOM 812 CB VAL A 54 6.420 4.839 -10.120 1.00 44.12 C ATOM 813 CG1 VAL A 54 7.579 4.215 -10.883 1.00 1.02 C ATOM 814 CG2 VAL A 54 6.470 4.454 -8.649 1.00 62.34 C ATOM 0 H VAL A 54 4.570 6.313 -9.315 1.00 30.41 H new ATOM 0 HA VAL A 54 7.314 6.772 -9.777 1.00 14.34 H new ATOM 0 HB VAL A 54 5.491 4.455 -10.541 1.00 44.12 H new ATOM 0 HG11 VAL A 54 7.554 3.132 -10.761 1.00 1.02 H new ATOM 0 HG12 VAL A 54 7.494 4.463 -11.941 1.00 1.02 H new ATOM 0 HG13 VAL A 54 8.521 4.602 -10.495 1.00 1.02 H new ATOM 0 HG21 VAL A 54 6.460 3.368 -8.557 1.00 62.34 H new ATOM 0 HG22 VAL A 54 7.382 4.848 -8.201 1.00 62.34 H new ATOM 0 HG23 VAL A 54 5.604 4.870 -8.134 1.00 62.34 H new ATOM 824 N ARG A 55 5.431 6.383 -12.485 1.00 22.55 N ATOM 825 CA ARG A 55 5.363 6.659 -13.914 1.00 64.24 C ATOM 826 C ARG A 55 5.675 8.125 -14.200 1.00 52.02 C ATOM 827 O ARG A 55 6.299 8.453 -15.209 1.00 34.43 O ATOM 828 CB ARG A 55 3.978 6.305 -14.459 1.00 2.13 C ATOM 829 CG ARG A 55 3.772 4.815 -14.678 1.00 43.34 C ATOM 830 CD ARG A 55 2.337 4.503 -15.071 1.00 52.24 C ATOM 831 NE ARG A 55 2.030 4.952 -16.427 1.00 5.41 N ATOM 832 CZ ARG A 55 0.926 4.612 -17.082 1.00 0.22 C ATOM 833 NH1 ARG A 55 0.028 3.824 -16.508 1.00 75.33 N ATOM 834 NH2 ARG A 55 0.718 5.061 -18.313 1.00 3.40 N ATOM 0 H ARG A 55 4.606 5.919 -12.105 1.00 22.55 H new ATOM 0 HA ARG A 55 6.110 6.042 -14.413 1.00 64.24 H new ATOM 0 HB2 ARG A 55 3.220 6.670 -13.766 1.00 2.13 H new ATOM 0 HB3 ARG A 55 3.824 6.827 -15.403 1.00 2.13 H new ATOM 0 HG2 ARG A 55 4.448 4.464 -15.457 1.00 43.34 H new ATOM 0 HG3 ARG A 55 4.027 4.274 -13.767 1.00 43.34 H new ATOM 0 HD2 ARG A 55 2.167 3.429 -14.998 1.00 52.24 H new ATOM 0 HD3 ARG A 55 1.656 4.983 -14.368 1.00 52.24 H new ATOM 0 HE ARG A 55 2.701 5.560 -16.897 1.00 5.41 H new ATOM 0 HH11 ARG A 55 0.184 3.478 -15.561 1.00 75.33 H new ATOM 0 HH12 ARG A 55 -0.819 3.564 -17.013 1.00 75.33 H new ATOM 0 HH21 ARG A 55 1.407 5.668 -18.758 1.00 3.40 H new ATOM 0 HH22 ARG A 55 -0.130 4.799 -18.815 1.00 3.40 H new ATOM 848 N GLY A 56 5.235 9.004 -13.305 1.00 31.25 N ATOM 849 CA GLY A 56 5.476 10.424 -13.479 1.00 15.32 C ATOM 850 C GLY A 56 6.918 10.805 -13.212 1.00 22.02 C ATOM 851 O GLY A 56 7.637 11.220 -14.122 1.00 24.32 O ATOM 0 H GLY A 56 4.716 8.758 -12.462 1.00 31.25 H new ATOM 0 HA2 GLY A 56 5.210 10.712 -14.496 1.00 15.32 H new ATOM 0 HA3 GLY A 56 4.825 10.985 -12.808 1.00 15.32 H new ATOM 855 N LEU A 57 7.343 10.666 -11.961 1.00 2.11 N ATOM 856 CA LEU A 57 8.710 11.000 -11.576 1.00 10.14 C ATOM 857 C LEU A 57 9.717 10.330 -12.505 1.00 51.53 C ATOM 858 O LEU A 57 10.633 10.977 -13.014 1.00 10.14 O ATOM 859 CB LEU A 57 8.972 10.574 -10.130 1.00 12.31 C ATOM 860 CG LEU A 57 8.656 11.616 -9.056 1.00 23.12 C ATOM 861 CD1 LEU A 57 7.235 12.133 -9.215 1.00 1.11 C ATOM 862 CD2 LEU A 57 8.860 11.028 -7.667 1.00 14.20 C ATOM 0 H LEU A 57 6.761 10.324 -11.196 1.00 2.11 H new ATOM 0 HA LEU A 57 8.830 12.080 -11.658 1.00 10.14 H new ATOM 0 HB2 LEU A 57 8.385 9.679 -9.924 1.00 12.31 H new ATOM 0 HB3 LEU A 57 10.022 10.294 -10.039 1.00 12.31 H new ATOM 0 HG LEU A 57 9.341 12.455 -9.178 1.00 23.12 H new ATOM 0 HD11 LEU A 57 7.029 12.873 -8.442 1.00 1.11 H new ATOM 0 HD12 LEU A 57 7.123 12.593 -10.197 1.00 1.11 H new ATOM 0 HD13 LEU A 57 6.534 11.304 -9.120 1.00 1.11 H new ATOM 0 HD21 LEU A 57 8.631 11.783 -6.915 1.00 14.20 H new ATOM 0 HD22 LEU A 57 8.200 10.171 -7.534 1.00 14.20 H new ATOM 0 HD23 LEU A 57 9.896 10.708 -7.556 1.00 14.20 H new ATOM 874 N ASP A 58 9.539 9.032 -12.725 1.00 3.44 N ATOM 875 CA ASP A 58 10.430 8.275 -13.596 1.00 44.31 C ATOM 876 C ASP A 58 10.217 8.659 -15.057 1.00 10.10 C ATOM 877 O ASP A 58 11.162 8.696 -15.844 1.00 72.01 O ATOM 878 CB ASP A 58 10.204 6.774 -13.412 1.00 61.10 C ATOM 879 CG ASP A 58 11.480 5.971 -13.578 1.00 54.54 C ATOM 880 OD1 ASP A 58 12.533 6.420 -13.078 1.00 74.21 O ATOM 881 OD2 ASP A 58 11.425 4.895 -14.208 1.00 73.32 O ATOM 0 H ASP A 58 8.786 8.482 -12.312 1.00 3.44 H new ATOM 0 HA ASP A 58 11.457 8.516 -13.322 1.00 44.31 H new ATOM 0 HB2 ASP A 58 9.789 6.591 -12.421 1.00 61.10 H new ATOM 0 HB3 ASP A 58 9.465 6.430 -14.135 1.00 61.10 H new ATOM 886 N GLY A 59 8.968 8.943 -15.413 1.00 13.43 N ATOM 887 CA GLY A 59 8.653 9.319 -16.779 1.00 14.35 C ATOM 888 C GLY A 59 9.160 10.704 -17.131 1.00 30.44 C ATOM 889 O GLY A 59 9.253 11.059 -18.306 1.00 14.23 O ATOM 0 H GLY A 59 8.169 8.919 -14.780 1.00 13.43 H new ATOM 0 HA2 GLY A 59 9.090 8.591 -17.463 1.00 14.35 H new ATOM 0 HA3 GLY A 59 7.573 9.283 -16.923 1.00 14.35 H new ATOM 893 N LYS A 60 9.488 11.489 -16.110 1.00 64.23 N ATOM 894 CA LYS A 60 9.989 12.843 -16.316 1.00 72.34 C ATOM 895 C LYS A 60 10.618 13.390 -15.039 1.00 50.54 C ATOM 896 O LYS A 60 9.987 13.408 -13.983 1.00 12.15 O ATOM 897 CB LYS A 60 8.855 13.763 -16.775 1.00 3.25 C ATOM 898 CG LYS A 60 9.264 14.732 -17.870 1.00 50.25 C ATOM 899 CD LYS A 60 9.646 16.089 -17.302 1.00 33.53 C ATOM 900 CE LYS A 60 10.408 16.924 -18.318 1.00 44.51 C ATOM 901 NZ LYS A 60 9.491 17.663 -19.229 1.00 52.12 N ATOM 0 H LYS A 60 9.416 11.211 -15.131 1.00 64.23 H new ATOM 0 HA LYS A 60 10.755 12.807 -17.090 1.00 72.34 H new ATOM 0 HB2 LYS A 60 8.026 13.153 -17.132 1.00 3.25 H new ATOM 0 HB3 LYS A 60 8.488 14.329 -15.919 1.00 3.25 H new ATOM 0 HG2 LYS A 60 10.106 14.319 -18.426 1.00 50.25 H new ATOM 0 HG3 LYS A 60 8.443 14.851 -18.577 1.00 50.25 H new ATOM 0 HD2 LYS A 60 8.746 16.622 -16.993 1.00 33.53 H new ATOM 0 HD3 LYS A 60 10.257 15.952 -16.410 1.00 33.53 H new ATOM 0 HE2 LYS A 60 11.051 17.633 -17.796 1.00 44.51 H new ATOM 0 HE3 LYS A 60 11.059 16.276 -18.905 1.00 44.51 H new ATOM 0 HZ1 LYS A 60 10.050 18.220 -19.907 1.00 52.12 H new ATOM 0 HZ2 LYS A 60 8.895 16.985 -19.746 1.00 52.12 H new ATOM 0 HZ3 LYS A 60 8.887 18.300 -18.672 1.00 52.12 H new ATOM 915 N VAL A 61 11.865 13.838 -15.144 1.00 41.34 N ATOM 916 CA VAL A 61 12.579 14.389 -13.998 1.00 54.34 C ATOM 917 C VAL A 61 11.716 15.397 -13.247 1.00 3.02 C ATOM 918 O VAL A 61 10.816 16.009 -13.822 1.00 11.52 O ATOM 919 CB VAL A 61 13.890 15.073 -14.429 1.00 71.34 C ATOM 920 CG1 VAL A 61 14.717 14.140 -15.301 1.00 21.13 C ATOM 921 CG2 VAL A 61 13.597 16.376 -15.158 1.00 32.34 C ATOM 0 H VAL A 61 12.402 13.830 -16.011 1.00 41.34 H new ATOM 0 HA VAL A 61 12.814 13.553 -13.339 1.00 54.34 H new ATOM 0 HB VAL A 61 14.469 15.306 -13.535 1.00 71.34 H new ATOM 0 HG11 VAL A 61 15.639 14.640 -15.596 1.00 21.13 H new ATOM 0 HG12 VAL A 61 14.957 13.236 -14.741 1.00 21.13 H new ATOM 0 HG13 VAL A 61 14.148 13.874 -16.192 1.00 21.13 H new ATOM 0 HG21 VAL A 61 14.535 16.846 -15.455 1.00 32.34 H new ATOM 0 HG22 VAL A 61 12.997 16.170 -16.045 1.00 32.34 H new ATOM 0 HG23 VAL A 61 13.049 17.047 -14.497 1.00 32.34 H new ATOM 931 N ILE A 62 11.998 15.564 -11.959 1.00 51.31 N ATOM 932 CA ILE A 62 11.249 16.499 -11.129 1.00 52.40 C ATOM 933 C ILE A 62 12.146 17.622 -10.618 1.00 61.51 C ATOM 934 O ILE A 62 13.175 17.370 -9.990 1.00 20.14 O ATOM 935 CB ILE A 62 10.599 15.789 -9.927 1.00 0.22 C ATOM 936 CG1 ILE A 62 9.962 16.813 -8.985 1.00 53.13 C ATOM 937 CG2 ILE A 62 11.630 14.951 -9.186 1.00 61.55 C ATOM 938 CD1 ILE A 62 10.846 17.193 -7.818 1.00 50.55 C ATOM 0 H ILE A 62 12.739 15.064 -11.468 1.00 51.31 H new ATOM 0 HA ILE A 62 10.466 16.921 -11.758 1.00 52.40 H new ATOM 0 HB ILE A 62 9.817 15.126 -10.296 1.00 0.22 H new ATOM 0 HG12 ILE A 62 9.716 17.711 -9.551 1.00 53.13 H new ATOM 0 HG13 ILE A 62 9.024 16.409 -8.603 1.00 53.13 H new ATOM 0 HG21 ILE A 62 11.155 14.455 -8.339 1.00 61.55 H new ATOM 0 HG22 ILE A 62 12.042 14.201 -9.861 1.00 61.55 H new ATOM 0 HG23 ILE A 62 12.432 15.595 -8.826 1.00 61.55 H new ATOM 0 HD11 ILE A 62 10.330 17.922 -7.193 1.00 50.55 H new ATOM 0 HD12 ILE A 62 11.072 16.305 -7.228 1.00 50.55 H new ATOM 0 HD13 ILE A 62 11.774 17.627 -8.191 1.00 50.55 H new ATOM 950 N CYS A 63 11.749 18.859 -10.890 1.00 51.44 N ATOM 951 CA CYS A 63 12.517 20.022 -10.457 1.00 73.52 C ATOM 952 C CYS A 63 13.994 19.855 -10.798 1.00 51.13 C ATOM 953 O CYS A 63 14.868 20.223 -10.014 1.00 72.53 O ATOM 954 CB CYS A 63 12.349 20.237 -8.952 1.00 44.34 C ATOM 955 SG CYS A 63 12.672 21.931 -8.409 1.00 52.52 S ATOM 0 H CYS A 63 10.900 19.084 -11.408 1.00 51.44 H new ATOM 0 HA CYS A 63 12.138 20.896 -10.986 1.00 73.52 H new ATOM 0 HB2 CYS A 63 11.333 19.963 -8.668 1.00 44.34 H new ATOM 0 HB3 CYS A 63 13.021 19.562 -8.422 1.00 44.34 H new ATOM 0 HG CYS A 63 12.502 22.014 -7.123 1.00 52.52 H new ATOM 961 N GLY A 64 14.265 19.297 -11.974 1.00 64.41 N ATOM 962 CA GLY A 64 15.638 19.089 -12.398 1.00 12.34 C ATOM 963 C GLY A 64 16.301 17.936 -11.671 1.00 10.22 C ATOM 964 O GLY A 64 17.509 17.954 -11.436 1.00 42.02 O ATOM 0 H GLY A 64 13.559 18.985 -12.641 1.00 64.41 H new ATOM 0 HA2 GLY A 64 15.659 18.898 -13.471 1.00 12.34 H new ATOM 0 HA3 GLY A 64 16.210 20.000 -12.225 1.00 12.34 H new ATOM 968 N SER A 65 15.509 16.931 -11.312 1.00 12.03 N ATOM 969 CA SER A 65 16.025 15.767 -10.602 1.00 24.40 C ATOM 970 C SER A 65 15.630 14.477 -11.314 1.00 62.34 C ATOM 971 O SER A 65 14.512 13.986 -11.158 1.00 21.21 O ATOM 972 CB SER A 65 15.506 15.748 -9.163 1.00 74.12 C ATOM 973 OG SER A 65 15.698 17.003 -8.535 1.00 50.41 O ATOM 0 H SER A 65 14.507 16.900 -11.501 1.00 12.03 H new ATOM 0 HA SER A 65 17.113 15.835 -10.587 1.00 24.40 H new ATOM 0 HB2 SER A 65 14.446 15.494 -9.159 1.00 74.12 H new ATOM 0 HB3 SER A 65 16.022 14.972 -8.597 1.00 74.12 H new ATOM 0 HG SER A 65 14.957 17.601 -8.766 1.00 50.41 H new ATOM 979 N ARG A 66 16.556 13.933 -12.098 1.00 2.14 N ATOM 980 CA ARG A 66 16.305 12.701 -12.836 1.00 3.14 C ATOM 981 C ARG A 66 16.440 11.485 -11.925 1.00 20.54 C ATOM 982 O ARG A 66 17.258 10.598 -12.171 1.00 42.44 O ATOM 983 CB ARG A 66 17.275 12.580 -14.013 1.00 10.14 C ATOM 984 CG ARG A 66 16.775 11.671 -15.123 1.00 74.20 C ATOM 985 CD ARG A 66 17.027 12.276 -16.495 1.00 2.00 C ATOM 986 NE ARG A 66 15.993 11.904 -17.456 1.00 73.13 N ATOM 987 CZ ARG A 66 15.978 12.319 -18.718 1.00 64.11 C ATOM 988 NH1 ARG A 66 16.938 13.115 -19.168 1.00 41.24 N ATOM 989 NH2 ARG A 66 15.003 11.937 -19.532 1.00 71.15 N ATOM 0 H ARG A 66 17.487 14.326 -12.238 1.00 2.14 H new ATOM 0 HA ARG A 66 15.284 12.737 -13.217 1.00 3.14 H new ATOM 0 HB2 ARG A 66 17.460 13.573 -14.424 1.00 10.14 H new ATOM 0 HB3 ARG A 66 18.230 12.202 -13.648 1.00 10.14 H new ATOM 0 HG2 ARG A 66 17.272 10.703 -15.054 1.00 74.20 H new ATOM 0 HG3 ARG A 66 15.708 11.491 -14.994 1.00 74.20 H new ATOM 0 HD2 ARG A 66 17.069 13.362 -16.410 1.00 2.00 H new ATOM 0 HD3 ARG A 66 17.999 11.947 -16.863 1.00 2.00 H new ATOM 0 HE ARG A 66 15.240 11.292 -17.141 1.00 73.13 H new ATOM 0 HH11 ARG A 66 17.690 13.410 -18.545 1.00 41.24 H new ATOM 0 HH12 ARG A 66 16.925 13.433 -20.137 1.00 41.24 H new ATOM 0 HH21 ARG A 66 14.263 11.324 -19.189 1.00 71.15 H new ATOM 0 HH22 ARG A 66 14.993 12.256 -20.501 1.00 71.15 H new ATOM 1003 N VAL A 67 15.632 11.449 -10.870 1.00 33.02 N ATOM 1004 CA VAL A 67 15.660 10.341 -9.922 1.00 51.50 C ATOM 1005 C VAL A 67 15.172 9.051 -10.570 1.00 74.12 C ATOM 1006 O VAL A 67 14.481 9.079 -11.589 1.00 33.43 O ATOM 1007 CB VAL A 67 14.794 10.640 -8.684 1.00 4.55 C ATOM 1008 CG1 VAL A 67 15.104 9.657 -7.565 1.00 61.13 C ATOM 1009 CG2 VAL A 67 15.007 12.073 -8.219 1.00 2.24 C ATOM 0 H VAL A 67 14.950 12.175 -10.650 1.00 33.02 H new ATOM 0 HA VAL A 67 16.697 10.218 -9.610 1.00 51.50 H new ATOM 0 HB VAL A 67 13.746 10.523 -8.959 1.00 4.55 H new ATOM 0 HG11 VAL A 67 14.483 9.884 -6.699 1.00 61.13 H new ATOM 0 HG12 VAL A 67 14.897 8.642 -7.904 1.00 61.13 H new ATOM 0 HG13 VAL A 67 16.155 9.740 -7.289 1.00 61.13 H new ATOM 0 HG21 VAL A 67 14.388 12.267 -7.343 1.00 2.24 H new ATOM 0 HG22 VAL A 67 16.056 12.220 -7.961 1.00 2.24 H new ATOM 0 HG23 VAL A 67 14.730 12.760 -9.019 1.00 2.24 H new ATOM 1019 N ARG A 68 15.535 7.921 -9.973 1.00 21.24 N ATOM 1020 CA ARG A 68 15.135 6.619 -10.492 1.00 75.21 C ATOM 1021 C ARG A 68 14.055 5.992 -9.615 1.00 12.13 C ATOM 1022 O ARG A 68 14.336 5.503 -8.520 1.00 54.42 O ATOM 1023 CB ARG A 68 16.344 5.685 -10.576 1.00 53.51 C ATOM 1024 CG ARG A 68 16.413 4.893 -11.871 1.00 53.14 C ATOM 1025 CD ARG A 68 15.216 3.967 -12.022 1.00 50.13 C ATOM 1026 NE ARG A 68 14.466 4.237 -13.246 1.00 64.44 N ATOM 1027 CZ ARG A 68 14.907 3.928 -14.461 1.00 2.40 C ATOM 1028 NH1 ARG A 68 16.087 3.343 -14.613 1.00 20.11 N ATOM 1029 NH2 ARG A 68 14.167 4.205 -15.527 1.00 10.41 N ATOM 0 H ARG A 68 16.106 7.881 -9.129 1.00 21.24 H new ATOM 0 HA ARG A 68 14.727 6.765 -11.492 1.00 75.21 H new ATOM 0 HB2 ARG A 68 17.255 6.274 -10.471 1.00 53.51 H new ATOM 0 HB3 ARG A 68 16.315 4.991 -9.736 1.00 53.51 H new ATOM 0 HG2 ARG A 68 16.452 5.579 -12.717 1.00 53.14 H new ATOM 0 HG3 ARG A 68 17.332 4.308 -11.892 1.00 53.14 H new ATOM 0 HD2 ARG A 68 15.557 2.932 -12.027 1.00 50.13 H new ATOM 0 HD3 ARG A 68 14.558 4.082 -11.161 1.00 50.13 H new ATOM 0 HE ARG A 68 13.554 4.687 -13.164 1.00 64.44 H new ATOM 0 HH11 ARG A 68 16.659 3.129 -13.796 1.00 20.11 H new ATOM 0 HH12 ARG A 68 16.423 3.107 -15.547 1.00 20.11 H new ATOM 0 HH21 ARG A 68 13.259 4.655 -15.414 1.00 10.41 H new ATOM 0 HH22 ARG A 68 14.506 3.967 -16.459 1.00 10.41 H new ATOM 1043 N VAL A 69 12.818 6.010 -10.103 1.00 4.53 N ATOM 1044 CA VAL A 69 11.696 5.444 -9.364 1.00 24.11 C ATOM 1045 C VAL A 69 11.217 4.146 -10.003 1.00 72.34 C ATOM 1046 O VAL A 69 11.231 4.003 -11.225 1.00 73.34 O ATOM 1047 CB VAL A 69 10.518 6.432 -9.288 1.00 54.34 C ATOM 1048 CG1 VAL A 69 9.411 5.877 -8.405 1.00 0.55 C ATOM 1049 CG2 VAL A 69 10.990 7.786 -8.779 1.00 74.15 C ATOM 0 H VAL A 69 12.568 6.411 -11.007 1.00 4.53 H new ATOM 0 HA VAL A 69 12.053 5.239 -8.355 1.00 24.11 H new ATOM 0 HB VAL A 69 10.115 6.567 -10.292 1.00 54.34 H new ATOM 0 HG11 VAL A 69 8.587 6.589 -8.363 1.00 0.55 H new ATOM 0 HG12 VAL A 69 9.054 4.934 -8.818 1.00 0.55 H new ATOM 0 HG13 VAL A 69 9.797 5.710 -7.399 1.00 0.55 H new ATOM 0 HG21 VAL A 69 10.144 8.472 -8.732 1.00 74.15 H new ATOM 0 HG22 VAL A 69 11.420 7.671 -7.784 1.00 74.15 H new ATOM 0 HG23 VAL A 69 11.744 8.186 -9.456 1.00 74.15 H new ATOM 1059 N GLU A 70 10.792 3.202 -9.168 1.00 43.53 N ATOM 1060 CA GLU A 70 10.308 1.915 -9.653 1.00 44.32 C ATOM 1061 C GLU A 70 9.422 1.239 -8.611 1.00 4.33 C ATOM 1062 O GLU A 70 9.403 1.636 -7.445 1.00 23.55 O ATOM 1063 CB GLU A 70 11.485 1.003 -10.007 1.00 50.41 C ATOM 1064 CG GLU A 70 11.449 0.490 -11.437 1.00 11.41 C ATOM 1065 CD GLU A 70 12.372 -0.693 -11.656 1.00 14.14 C ATOM 1066 OE1 GLU A 70 12.841 -1.271 -10.653 1.00 64.22 O ATOM 1067 OE2 GLU A 70 12.624 -1.040 -12.828 1.00 62.30 O ATOM 0 H GLU A 70 10.773 3.305 -8.153 1.00 43.53 H new ATOM 0 HA GLU A 70 9.714 2.094 -10.549 1.00 44.32 H new ATOM 0 HB2 GLU A 70 12.416 1.547 -9.849 1.00 50.41 H new ATOM 0 HB3 GLU A 70 11.493 0.153 -9.325 1.00 50.41 H new ATOM 0 HG2 GLU A 70 10.429 0.202 -11.690 1.00 11.41 H new ATOM 0 HG3 GLU A 70 11.730 1.296 -12.115 1.00 11.41 H new ATOM 1074 N LEU A 71 8.690 0.217 -9.039 1.00 15.51 N ATOM 1075 CA LEU A 71 7.800 -0.514 -8.144 1.00 22.53 C ATOM 1076 C LEU A 71 8.354 -1.904 -7.842 1.00 54.44 C ATOM 1077 O LEU A 71 8.300 -2.800 -8.684 1.00 44.04 O ATOM 1078 CB LEU A 71 6.406 -0.632 -8.762 1.00 12.44 C ATOM 1079 CG LEU A 71 5.674 0.686 -9.021 1.00 72.31 C ATOM 1080 CD1 LEU A 71 4.437 0.450 -9.875 1.00 4.23 C ATOM 1081 CD2 LEU A 71 5.298 1.355 -7.707 1.00 75.51 C ATOM 0 H LEU A 71 8.695 -0.124 -10.000 1.00 15.51 H new ATOM 0 HA LEU A 71 7.730 0.041 -7.209 1.00 22.53 H new ATOM 0 HB2 LEU A 71 6.493 -1.168 -9.707 1.00 12.44 H new ATOM 0 HB3 LEU A 71 5.789 -1.244 -8.104 1.00 12.44 H new ATOM 0 HG LEU A 71 6.345 1.351 -9.565 1.00 72.31 H new ATOM 0 HD11 LEU A 71 3.929 1.398 -10.049 1.00 4.23 H new ATOM 0 HD12 LEU A 71 4.732 0.015 -10.830 1.00 4.23 H new ATOM 0 HD13 LEU A 71 3.763 -0.233 -9.358 1.00 4.23 H new ATOM 0 HD21 LEU A 71 4.778 2.291 -7.911 1.00 75.51 H new ATOM 0 HD22 LEU A 71 4.645 0.694 -7.136 1.00 75.51 H new ATOM 0 HD23 LEU A 71 6.201 1.559 -7.131 1.00 75.51 H new ATOM 1093 N SER A 72 8.883 -2.075 -6.635 1.00 72.12 N ATOM 1094 CA SER A 72 9.447 -3.355 -6.223 1.00 4.21 C ATOM 1095 C SER A 72 8.344 -4.369 -5.939 1.00 31.23 C ATOM 1096 O SER A 72 8.555 -5.579 -6.036 1.00 1.44 O ATOM 1097 CB SER A 72 10.322 -3.174 -4.981 1.00 13.25 C ATOM 1098 OG SER A 72 11.676 -2.955 -5.337 1.00 73.32 O ATOM 0 H SER A 72 8.933 -1.344 -5.926 1.00 72.12 H new ATOM 0 HA SER A 72 10.062 -3.733 -7.040 1.00 4.21 H new ATOM 0 HB2 SER A 72 9.956 -2.331 -4.395 1.00 13.25 H new ATOM 0 HB3 SER A 72 10.248 -4.058 -4.348 1.00 13.25 H new ATOM 0 HG SER A 72 12.213 -2.841 -4.525 1.00 73.32 H new