USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=10 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+ -99:sc= -0.0511 (180deg=-1.39) USER MOD Single : A 4 TYR OH : rot 150:sc= 0 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.039) 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= -0.131 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00476 X(o=-0.0048,f=-0.17) 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 79:sc= 1.26 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 4.396 -0.232 -2.370 1.00 21.12 N ATOM 19 CA LYS A 2 5.653 0.326 -1.886 1.00 41.51 C ATOM 20 C LYS A 2 6.333 1.156 -2.971 1.00 21.22 C ATOM 21 O LYS A 2 6.242 0.839 -4.157 1.00 2.21 O ATOM 22 CB LYS A 2 6.588 -0.793 -1.424 1.00 63.30 C ATOM 23 CG LYS A 2 5.929 -1.788 -0.484 1.00 54.33 C ATOM 24 CD LYS A 2 5.635 -1.165 0.870 1.00 13.40 C ATOM 25 CE LYS A 2 4.398 -1.778 1.509 1.00 24.13 C ATOM 26 NZ LYS A 2 3.334 -0.763 1.745 1.00 63.31 N ATOM 0 HA LYS A 2 5.431 0.977 -1.040 1.00 41.51 H new ATOM 0 HB2 LYS A 2 6.963 -1.325 -2.298 1.00 63.30 H new ATOM 0 HB3 LYS A 2 7.451 -0.351 -0.925 1.00 63.30 H new ATOM 0 HG2 LYS A 2 5.002 -2.150 -0.928 1.00 54.33 H new ATOM 0 HG3 LYS A 2 6.579 -2.653 -0.354 1.00 54.33 H new ATOM 0 HD2 LYS A 2 6.492 -1.303 1.529 1.00 13.40 H new ATOM 0 HD3 LYS A 2 5.491 -0.091 0.754 1.00 13.40 H new ATOM 0 HE2 LYS A 2 4.010 -2.567 0.865 1.00 24.13 H new ATOM 0 HE3 LYS A 2 4.671 -2.244 2.456 1.00 24.13 H new ATOM 0 HZ1 LYS A 2 3.361 -0.456 2.738 1.00 63.31 H new ATOM 0 HZ2 LYS A 2 3.493 0.057 1.125 1.00 63.31 H new ATOM 0 HZ3 LYS A 2 2.404 -1.180 1.537 1.00 63.31 H new ATOM 40 N VAL A 3 7.016 2.218 -2.556 1.00 52.52 N ATOM 41 CA VAL A 3 7.713 3.092 -3.492 1.00 65.34 C ATOM 42 C VAL A 3 9.224 2.912 -3.390 1.00 71.13 C ATOM 43 O VAL A 3 9.789 2.928 -2.296 1.00 70.25 O ATOM 44 CB VAL A 3 7.366 4.572 -3.245 1.00 72.30 C ATOM 45 CG1 VAL A 3 7.550 5.384 -4.518 1.00 25.31 C ATOM 46 CG2 VAL A 3 5.944 4.704 -2.720 1.00 2.01 C ATOM 0 H VAL A 3 7.102 2.494 -1.578 1.00 52.52 H new ATOM 0 HA VAL A 3 7.382 2.812 -4.492 1.00 65.34 H new ATOM 0 HB VAL A 3 8.047 4.966 -2.490 1.00 72.30 H new ATOM 0 HG11 VAL A 3 7.300 6.427 -4.324 1.00 25.31 H new ATOM 0 HG12 VAL A 3 8.587 5.315 -4.847 1.00 25.31 H new ATOM 0 HG13 VAL A 3 6.895 4.993 -5.297 1.00 25.31 H new ATOM 0 HG21 VAL A 3 5.715 5.756 -2.551 1.00 2.01 H new ATOM 0 HG22 VAL A 3 5.247 4.294 -3.451 1.00 2.01 H new ATOM 0 HG23 VAL A 3 5.850 4.157 -1.782 1.00 2.01 H new ATOM 56 N TYR A 4 9.872 2.741 -4.537 1.00 5.51 N ATOM 57 CA TYR A 4 11.318 2.557 -4.577 1.00 62.40 C ATOM 58 C TYR A 4 11.991 3.688 -5.348 1.00 50.21 C ATOM 59 O TYR A 4 11.834 3.806 -6.563 1.00 51.44 O ATOM 60 CB TYR A 4 11.664 1.212 -5.218 1.00 71.43 C ATOM 61 CG TYR A 4 12.880 1.263 -6.115 1.00 42.10 C ATOM 62 CD1 TYR A 4 14.161 1.319 -5.579 1.00 71.45 C ATOM 63 CD2 TYR A 4 12.748 1.255 -7.498 1.00 43.33 C ATOM 64 CE1 TYR A 4 15.275 1.367 -6.395 1.00 73.51 C ATOM 65 CE2 TYR A 4 13.857 1.301 -8.322 1.00 13.53 C ATOM 66 CZ TYR A 4 15.118 1.358 -7.765 1.00 74.54 C ATOM 67 OH TYR A 4 16.225 1.404 -8.581 1.00 73.34 O ATOM 0 H TYR A 4 9.419 2.726 -5.451 1.00 5.51 H new ATOM 0 HA TYR A 4 11.688 2.570 -3.552 1.00 62.40 H new ATOM 0 HB2 TYR A 4 11.834 0.477 -4.431 1.00 71.43 H new ATOM 0 HB3 TYR A 4 10.809 0.865 -5.799 1.00 71.43 H new ATOM 0 HD1 TYR A 4 14.288 1.325 -4.506 1.00 71.45 H new ATOM 0 HD2 TYR A 4 11.762 1.212 -7.937 1.00 43.33 H new ATOM 0 HE1 TYR A 4 16.263 1.411 -5.962 1.00 73.51 H new ATOM 0 HE2 TYR A 4 13.737 1.292 -9.395 1.00 13.53 H new ATOM 0 HH TYR A 4 16.034 0.931 -9.418 1.00 73.34 H new ATOM 77 N VAL A 5 12.742 4.519 -4.632 1.00 23.41 N ATOM 78 CA VAL A 5 13.441 5.640 -5.247 1.00 45.41 C ATOM 79 C VAL A 5 14.947 5.534 -5.032 1.00 0.31 C ATOM 80 O VAL A 5 15.451 5.820 -3.947 1.00 23.33 O ATOM 81 CB VAL A 5 12.947 6.986 -4.685 1.00 2.44 C ATOM 82 CG1 VAL A 5 11.624 7.379 -5.324 1.00 44.25 C ATOM 83 CG2 VAL A 5 12.816 6.915 -3.171 1.00 22.23 C ATOM 0 H VAL A 5 12.882 4.436 -3.625 1.00 23.41 H new ATOM 0 HA VAL A 5 13.226 5.599 -6.315 1.00 45.41 H new ATOM 0 HB VAL A 5 13.682 7.753 -4.928 1.00 2.44 H new ATOM 0 HG11 VAL A 5 11.291 8.333 -4.914 1.00 44.25 H new ATOM 0 HG12 VAL A 5 11.754 7.473 -6.402 1.00 44.25 H new ATOM 0 HG13 VAL A 5 10.877 6.613 -5.114 1.00 44.25 H new ATOM 0 HG21 VAL A 5 12.466 7.875 -2.791 1.00 22.23 H new ATOM 0 HG22 VAL A 5 12.102 6.136 -2.904 1.00 22.23 H new ATOM 0 HG23 VAL A 5 13.787 6.683 -2.732 1.00 22.23 H new ATOM 93 N GLY A 6 15.661 5.122 -6.075 1.00 71.31 N ATOM 94 CA GLY A 6 17.103 4.985 -5.980 1.00 54.31 C ATOM 95 C GLY A 6 17.835 5.867 -6.972 1.00 10.32 C ATOM 96 O GLY A 6 17.275 6.837 -7.481 1.00 4.41 O ATOM 0 H GLY A 6 15.267 4.881 -6.984 1.00 71.31 H new ATOM 0 HA2 GLY A 6 17.423 5.237 -4.969 1.00 54.31 H new ATOM 0 HA3 GLY A 6 17.378 3.944 -6.151 1.00 54.31 H new ATOM 100 N ASN A 7 19.091 5.531 -7.245 1.00 63.24 N ATOM 101 CA ASN A 7 19.902 6.301 -8.181 1.00 44.12 C ATOM 102 C ASN A 7 20.110 7.726 -7.676 1.00 63.41 C ATOM 103 O ASN A 7 19.539 8.676 -8.213 1.00 4.01 O ATOM 104 CB ASN A 7 19.240 6.329 -9.560 1.00 72.50 C ATOM 105 CG ASN A 7 19.771 5.245 -10.478 1.00 40.05 C ATOM 106 OD1 ASN A 7 20.465 5.529 -11.455 1.00 74.22 O ATOM 107 ND2 ASN A 7 19.447 3.995 -10.168 1.00 54.24 N ATOM 0 H ASN A 7 19.570 4.731 -6.832 1.00 63.24 H new ATOM 0 HA ASN A 7 20.875 5.817 -8.262 1.00 44.12 H new ATOM 0 HB2 ASN A 7 18.163 6.209 -9.445 1.00 72.50 H new ATOM 0 HB3 ASN A 7 19.405 7.304 -10.020 1.00 72.50 H new ATOM 0 HD21 ASN A 7 19.776 3.224 -10.749 1.00 54.24 H new ATOM 0 HD22 ASN A 7 18.869 3.806 -9.349 1.00 54.24 H new ATOM 114 N LEU A 8 20.932 7.866 -6.642 1.00 15.55 N ATOM 115 CA LEU A 8 21.216 9.175 -6.063 1.00 43.34 C ATOM 116 C LEU A 8 22.673 9.566 -6.291 1.00 61.12 C ATOM 117 O LEU A 8 23.373 8.951 -7.095 1.00 11.11 O ATOM 118 CB LEU A 8 20.906 9.172 -4.566 1.00 34.44 C ATOM 119 CG LEU A 8 19.743 8.282 -4.123 1.00 63.04 C ATOM 120 CD1 LEU A 8 19.668 8.217 -2.606 1.00 23.22 C ATOM 121 CD2 LEU A 8 18.432 8.791 -4.703 1.00 15.23 C ATOM 0 H LEU A 8 21.413 7.090 -6.187 1.00 15.55 H new ATOM 0 HA LEU A 8 20.579 9.909 -6.557 1.00 43.34 H new ATOM 0 HB2 LEU A 8 21.802 8.858 -4.030 1.00 34.44 H new ATOM 0 HB3 LEU A 8 20.692 10.195 -4.257 1.00 34.44 H new ATOM 0 HG LEU A 8 19.917 7.274 -4.500 1.00 63.04 H new ATOM 0 HD11 LEU A 8 18.835 7.580 -2.310 1.00 23.22 H new ATOM 0 HD12 LEU A 8 20.598 7.805 -2.213 1.00 23.22 H new ATOM 0 HD13 LEU A 8 19.518 9.220 -2.206 1.00 23.22 H new ATOM 0 HD21 LEU A 8 17.616 8.146 -4.378 1.00 15.23 H new ATOM 0 HD22 LEU A 8 18.251 9.808 -4.356 1.00 15.23 H new ATOM 0 HD23 LEU A 8 18.489 8.784 -5.792 1.00 15.23 H new ATOM 161 N ALA A 12 20.080 14.636 -5.298 1.00 3.10 N ATOM 162 CA ALA A 12 18.740 14.086 -5.135 1.00 2.32 C ATOM 163 C ALA A 12 18.706 13.045 -4.022 1.00 30.52 C ATOM 164 O ALA A 12 19.180 11.922 -4.194 1.00 13.31 O ATOM 165 CB ALA A 12 18.256 13.480 -6.443 1.00 73.44 C ATOM 0 HA ALA A 12 18.071 14.900 -4.855 1.00 2.32 H new ATOM 0 HB1 ALA A 12 17.254 13.073 -6.307 1.00 73.44 H new ATOM 0 HB2 ALA A 12 18.233 14.250 -7.214 1.00 73.44 H new ATOM 0 HB3 ALA A 12 18.933 12.682 -6.747 1.00 73.44 H new ATOM 171 N GLY A 13 18.143 13.424 -2.879 1.00 15.42 N ATOM 172 CA GLY A 13 18.058 12.511 -1.754 1.00 41.31 C ATOM 173 C GLY A 13 16.740 12.624 -1.013 1.00 63.05 C ATOM 174 O GLY A 13 15.671 12.499 -1.611 1.00 12.34 O ATOM 0 H GLY A 13 17.744 14.348 -2.712 1.00 15.42 H new ATOM 0 HA2 GLY A 13 18.185 11.488 -2.110 1.00 41.31 H new ATOM 0 HA3 GLY A 13 18.877 12.712 -1.064 1.00 41.31 H new ATOM 178 N LYS A 14 16.815 12.859 0.292 1.00 4.11 N ATOM 179 CA LYS A 14 15.620 12.988 1.117 1.00 51.32 C ATOM 180 C LYS A 14 14.833 14.240 0.742 1.00 3.33 C ATOM 181 O LYS A 14 13.634 14.175 0.475 1.00 2.01 O ATOM 182 CB LYS A 14 16.000 13.036 2.598 1.00 2.24 C ATOM 183 CG LYS A 14 14.879 12.604 3.528 1.00 5.32 C ATOM 184 CD LYS A 14 15.422 11.986 4.806 1.00 71.44 C ATOM 185 CE LYS A 14 15.007 12.784 6.032 1.00 40.43 C ATOM 186 NZ LYS A 14 15.587 14.156 6.023 1.00 63.23 N ATOM 0 H LYS A 14 17.692 12.964 0.802 1.00 4.11 H new ATOM 0 HA LYS A 14 14.990 12.117 0.938 1.00 51.32 H new ATOM 0 HB2 LYS A 14 16.866 12.394 2.763 1.00 2.24 H new ATOM 0 HB3 LYS A 14 16.302 14.051 2.854 1.00 2.24 H new ATOM 0 HG2 LYS A 14 14.257 13.465 3.775 1.00 5.32 H new ATOM 0 HG3 LYS A 14 14.239 11.884 3.018 1.00 5.32 H new ATOM 0 HD2 LYS A 14 15.061 10.962 4.898 1.00 71.44 H new ATOM 0 HD3 LYS A 14 16.510 11.937 4.754 1.00 71.44 H new ATOM 0 HE2 LYS A 14 13.920 12.850 6.072 1.00 40.43 H new ATOM 0 HE3 LYS A 14 15.328 12.260 6.932 1.00 40.43 H new ATOM 0 HZ1 LYS A 14 15.485 14.582 6.966 1.00 63.23 H new ATOM 0 HZ2 LYS A 14 16.595 14.105 5.774 1.00 63.23 H new ATOM 0 HZ3 LYS A 14 15.086 14.740 5.323 1.00 63.23 H new ATOM 200 N GLY A 15 15.517 15.380 0.724 1.00 45.44 N ATOM 201 CA GLY A 15 14.866 16.631 0.379 1.00 23.31 C ATOM 202 C GLY A 15 14.262 16.606 -1.011 1.00 32.13 C ATOM 203 O GLY A 15 13.159 17.110 -1.224 1.00 25.55 O ATOM 0 H GLY A 15 16.510 15.460 0.942 1.00 45.44 H new ATOM 0 HA2 GLY A 15 14.084 16.843 1.108 1.00 23.31 H new ATOM 0 HA3 GLY A 15 15.590 17.443 0.443 1.00 23.31 H new ATOM 207 N GLU A 16 14.986 16.020 -1.959 1.00 72.41 N ATOM 208 CA GLU A 16 14.514 15.934 -3.336 1.00 42.12 C ATOM 209 C GLU A 16 13.275 15.049 -3.433 1.00 62.40 C ATOM 210 O GLU A 16 12.222 15.484 -3.900 1.00 13.14 O ATOM 211 CB GLU A 16 15.618 15.387 -4.244 1.00 31.33 C ATOM 212 CG GLU A 16 15.674 16.057 -5.606 1.00 50.11 C ATOM 213 CD GLU A 16 15.845 17.561 -5.510 1.00 34.31 C ATOM 214 OE1 GLU A 16 16.980 18.013 -5.252 1.00 51.03 O ATOM 215 OE2 GLU A 16 14.844 18.285 -5.692 1.00 33.24 O ATOM 0 H GLU A 16 15.901 15.598 -1.799 1.00 72.41 H new ATOM 0 HA GLU A 16 14.248 16.939 -3.665 1.00 42.12 H new ATOM 0 HB2 GLU A 16 16.580 15.512 -3.747 1.00 31.33 H new ATOM 0 HB3 GLU A 16 15.467 14.316 -4.381 1.00 31.33 H new ATOM 0 HG2 GLU A 16 16.500 15.637 -6.180 1.00 50.11 H new ATOM 0 HG3 GLU A 16 14.759 15.833 -6.155 1.00 50.11 H new ATOM 222 N LEU A 17 13.409 13.804 -2.990 1.00 22.44 N ATOM 223 CA LEU A 17 12.301 12.855 -3.026 1.00 44.11 C ATOM 224 C LEU A 17 11.134 13.348 -2.177 1.00 40.32 C ATOM 225 O LEU A 17 9.978 13.029 -2.451 1.00 14.41 O ATOM 226 CB LEU A 17 12.763 11.483 -2.532 1.00 35.05 C ATOM 227 CG LEU A 17 12.497 11.177 -1.057 1.00 63.00 C ATOM 228 CD1 LEU A 17 11.106 10.590 -0.875 1.00 41.35 C ATOM 229 CD2 LEU A 17 13.554 10.228 -0.511 1.00 31.31 C ATOM 0 H LEU A 17 14.274 13.428 -2.602 1.00 22.44 H new ATOM 0 HA LEU A 17 11.963 12.767 -4.059 1.00 44.11 H new ATOM 0 HB2 LEU A 17 12.274 10.718 -3.135 1.00 35.05 H new ATOM 0 HB3 LEU A 17 13.834 11.395 -2.713 1.00 35.05 H new ATOM 0 HG LEU A 17 12.550 12.111 -0.497 1.00 63.00 H new ATOM 0 HD11 LEU A 17 10.935 10.379 0.181 1.00 41.35 H new ATOM 0 HD12 LEU A 17 10.361 11.303 -1.227 1.00 41.35 H new ATOM 0 HD13 LEU A 17 11.023 9.666 -1.448 1.00 41.35 H new ATOM 0 HD21 LEU A 17 13.349 10.021 0.539 1.00 31.31 H new ATOM 0 HD22 LEU A 17 13.532 9.296 -1.075 1.00 31.31 H new ATOM 0 HD23 LEU A 17 14.538 10.687 -0.605 1.00 31.31 H new ATOM 241 N GLU A 18 11.446 14.129 -1.148 1.00 0.34 N ATOM 242 CA GLU A 18 10.422 14.667 -0.260 1.00 51.51 C ATOM 243 C GLU A 18 9.589 15.729 -0.972 1.00 14.53 C ATOM 244 O GLU A 18 8.359 15.702 -0.927 1.00 34.35 O ATOM 245 CB GLU A 18 11.064 15.264 0.994 1.00 24.41 C ATOM 246 CG GLU A 18 10.065 15.897 1.948 1.00 62.14 C ATOM 247 CD GLU A 18 9.204 14.870 2.656 1.00 15.04 C ATOM 248 OE1 GLU A 18 9.290 13.676 2.300 1.00 51.24 O ATOM 249 OE2 GLU A 18 8.443 15.260 3.567 1.00 61.40 O ATOM 0 H GLU A 18 12.399 14.403 -0.909 1.00 0.34 H new ATOM 0 HA GLU A 18 9.764 13.848 0.032 1.00 51.51 H new ATOM 0 HB2 GLU A 18 11.610 14.481 1.520 1.00 24.41 H new ATOM 0 HB3 GLU A 18 11.794 16.016 0.695 1.00 24.41 H new ATOM 0 HG2 GLU A 18 10.601 16.489 2.689 1.00 62.14 H new ATOM 0 HG3 GLU A 18 9.424 16.583 1.394 1.00 62.14 H new ATOM 256 N ARG A 19 10.268 16.665 -1.628 1.00 32.43 N ATOM 257 CA ARG A 19 9.591 17.737 -2.347 1.00 63.14 C ATOM 258 C ARG A 19 8.729 17.176 -3.474 1.00 74.30 C ATOM 259 O ARG A 19 7.599 17.617 -3.683 1.00 41.20 O ATOM 260 CB ARG A 19 10.614 18.723 -2.916 1.00 72.52 C ATOM 261 CG ARG A 19 9.985 19.919 -3.611 1.00 10.21 C ATOM 262 CD ARG A 19 11.029 20.757 -4.333 1.00 23.45 C ATOM 263 NE ARG A 19 12.173 21.061 -3.477 1.00 40.40 N ATOM 264 CZ ARG A 19 12.165 22.013 -2.551 1.00 13.53 C ATOM 265 NH1 ARG A 19 11.078 22.749 -2.361 1.00 1.00 N ATOM 266 NH2 ARG A 19 13.245 22.231 -1.811 1.00 70.14 N ATOM 0 H ARG A 19 11.286 16.702 -1.676 1.00 32.43 H new ATOM 0 HA ARG A 19 8.944 18.260 -1.643 1.00 63.14 H new ATOM 0 HB2 ARG A 19 11.253 19.078 -2.107 1.00 72.52 H new ATOM 0 HB3 ARG A 19 11.257 18.199 -3.623 1.00 72.52 H new ATOM 0 HG2 ARG A 19 9.237 19.574 -4.325 1.00 10.21 H new ATOM 0 HG3 ARG A 19 9.466 20.536 -2.877 1.00 10.21 H new ATOM 0 HD2 ARG A 19 11.371 20.224 -5.220 1.00 23.45 H new ATOM 0 HD3 ARG A 19 10.575 21.687 -4.675 1.00 23.45 H new ATOM 0 HE ARG A 19 13.024 20.512 -3.597 1.00 40.40 H new ATOM 0 HH11 ARG A 19 10.245 22.584 -2.927 1.00 1.00 H new ATOM 0 HH12 ARG A 19 11.075 23.479 -1.649 1.00 1.00 H new ATOM 0 HH21 ARG A 19 14.083 21.667 -1.953 1.00 70.14 H new ATOM 0 HH22 ARG A 19 13.237 22.963 -1.100 1.00 70.14 H new ATOM 280 N ALA A 20 9.270 16.200 -4.197 1.00 14.51 N ATOM 281 CA ALA A 20 8.549 15.578 -5.301 1.00 3.13 C ATOM 282 C ALA A 20 7.336 14.803 -4.797 1.00 43.12 C ATOM 283 O ALA A 20 6.198 15.114 -5.150 1.00 24.21 O ATOM 284 CB ALA A 20 9.476 14.661 -6.085 1.00 32.30 C ATOM 0 H ALA A 20 10.205 15.823 -4.038 1.00 14.51 H new ATOM 0 HA ALA A 20 8.193 16.368 -5.962 1.00 3.13 H new ATOM 0 HB1 ALA A 20 8.925 14.203 -6.906 1.00 32.30 H new ATOM 0 HB2 ALA A 20 10.308 15.240 -6.485 1.00 32.30 H new ATOM 0 HB3 ALA A 20 9.860 13.882 -5.426 1.00 32.30 H new ATOM 290 N PHE A 21 7.587 13.793 -3.971 1.00 72.43 N ATOM 291 CA PHE A 21 6.515 12.972 -3.420 1.00 73.35 C ATOM 292 C PHE A 21 5.434 13.842 -2.787 1.00 13.52 C ATOM 293 O PHE A 21 4.247 13.687 -3.076 1.00 24.30 O ATOM 294 CB PHE A 21 7.073 11.996 -2.383 1.00 32.24 C ATOM 295 CG PHE A 21 7.657 10.750 -2.984 1.00 71.25 C ATOM 296 CD1 PHE A 21 8.618 10.830 -3.979 1.00 24.21 C ATOM 297 CD2 PHE A 21 7.244 9.498 -2.556 1.00 40.41 C ATOM 298 CE1 PHE A 21 9.158 9.685 -4.535 1.00 3.23 C ATOM 299 CE2 PHE A 21 7.781 8.350 -3.108 1.00 14.42 C ATOM 300 CZ PHE A 21 8.738 8.444 -4.099 1.00 71.11 C ATOM 0 H PHE A 21 8.523 13.523 -3.668 1.00 72.43 H new ATOM 0 HA PHE A 21 6.068 12.406 -4.237 1.00 73.35 H new ATOM 0 HB2 PHE A 21 7.841 12.501 -1.797 1.00 32.24 H new ATOM 0 HB3 PHE A 21 6.277 11.718 -1.693 1.00 32.24 H new ATOM 0 HD1 PHE A 21 8.949 11.798 -4.324 1.00 24.21 H new ATOM 0 HD2 PHE A 21 6.494 9.418 -1.783 1.00 40.41 H new ATOM 0 HE1 PHE A 21 9.907 9.761 -5.309 1.00 3.23 H new ATOM 0 HE2 PHE A 21 7.452 7.380 -2.764 1.00 14.42 H new ATOM 0 HZ PHE A 21 9.157 7.548 -4.532 1.00 71.11 H new ATOM 310 N SER A 22 5.853 14.759 -1.920 1.00 41.15 N ATOM 311 CA SER A 22 4.921 15.652 -1.242 1.00 4.32 C ATOM 312 C SER A 22 4.129 16.479 -2.250 1.00 72.41 C ATOM 313 O SER A 22 2.915 16.638 -2.121 1.00 52.31 O ATOM 314 CB SER A 22 5.675 16.579 -0.286 1.00 0.11 C ATOM 315 OG SER A 22 4.820 17.584 0.230 1.00 34.05 O ATOM 0 H SER A 22 6.832 14.903 -1.671 1.00 41.15 H new ATOM 0 HA SER A 22 4.222 15.041 -0.670 1.00 4.32 H new ATOM 0 HB2 SER A 22 6.094 15.997 0.535 1.00 0.11 H new ATOM 0 HB3 SER A 22 6.512 17.042 -0.808 1.00 0.11 H new ATOM 0 HG SER A 22 5.325 18.162 0.839 1.00 34.05 H new ATOM 321 N TYR A 23 4.824 17.002 -3.254 1.00 24.44 N ATOM 322 CA TYR A 23 4.187 17.814 -4.283 1.00 64.25 C ATOM 323 C TYR A 23 3.031 17.061 -4.934 1.00 31.54 C ATOM 324 O TYR A 23 1.952 17.616 -5.143 1.00 4.44 O ATOM 325 CB TYR A 23 5.209 18.219 -5.347 1.00 60.04 C ATOM 326 CG TYR A 23 5.773 19.607 -5.147 1.00 41.55 C ATOM 327 CD1 TYR A 23 6.091 20.074 -3.878 1.00 31.31 C ATOM 328 CD2 TYR A 23 5.989 20.453 -6.229 1.00 23.12 C ATOM 329 CE1 TYR A 23 6.606 21.342 -3.691 1.00 33.13 C ATOM 330 CE2 TYR A 23 6.505 21.722 -6.051 1.00 41.23 C ATOM 331 CZ TYR A 23 6.811 22.162 -4.780 1.00 42.24 C ATOM 332 OH TYR A 23 7.325 23.426 -4.598 1.00 62.43 O ATOM 0 H TYR A 23 5.829 16.878 -3.377 1.00 24.44 H new ATOM 0 HA TYR A 23 3.791 18.711 -3.808 1.00 64.25 H new ATOM 0 HB2 TYR A 23 6.028 17.499 -5.345 1.00 60.04 H new ATOM 0 HB3 TYR A 23 4.739 18.165 -6.329 1.00 60.04 H new ATOM 0 HD1 TYR A 23 5.933 19.434 -3.022 1.00 31.31 H new ATOM 0 HD2 TYR A 23 5.749 20.112 -7.225 1.00 23.12 H new ATOM 0 HE1 TYR A 23 6.847 21.689 -2.697 1.00 33.13 H new ATOM 0 HE2 TYR A 23 6.668 22.366 -6.902 1.00 41.23 H new ATOM 0 HH TYR A 23 7.409 23.873 -5.466 1.00 62.43 H new ATOM 342 N TYR A 24 3.264 15.792 -5.250 1.00 71.24 N ATOM 343 CA TYR A 24 2.243 14.961 -5.878 1.00 44.04 C ATOM 344 C TYR A 24 1.145 14.601 -4.883 1.00 10.44 C ATOM 345 O TYR A 24 -0.018 14.447 -5.253 1.00 11.34 O ATOM 346 CB TYR A 24 2.871 13.686 -6.445 1.00 2.33 C ATOM 347 CG TYR A 24 3.498 13.874 -7.808 1.00 5.05 C ATOM 348 CD1 TYR A 24 4.605 14.696 -7.977 1.00 45.24 C ATOM 349 CD2 TYR A 24 2.984 13.228 -8.925 1.00 45.24 C ATOM 350 CE1 TYR A 24 5.181 14.871 -9.221 1.00 2.11 C ATOM 351 CE2 TYR A 24 3.555 13.396 -10.172 1.00 54.15 C ATOM 352 CZ TYR A 24 4.652 14.219 -10.315 1.00 64.12 C ATOM 353 OH TYR A 24 5.224 14.389 -11.555 1.00 51.43 O ATOM 0 H TYR A 24 4.150 15.316 -5.082 1.00 71.24 H new ATOM 0 HA TYR A 24 1.797 15.532 -6.692 1.00 44.04 H new ATOM 0 HB2 TYR A 24 3.631 13.326 -5.751 1.00 2.33 H new ATOM 0 HB3 TYR A 24 2.106 12.912 -6.510 1.00 2.33 H new ATOM 0 HD1 TYR A 24 5.023 15.207 -7.122 1.00 45.24 H new ATOM 0 HD2 TYR A 24 2.124 12.584 -8.817 1.00 45.24 H new ATOM 0 HE1 TYR A 24 6.041 15.515 -9.336 1.00 2.11 H new ATOM 0 HE2 TYR A 24 3.144 12.885 -11.030 1.00 54.15 H new ATOM 0 HH TYR A 24 6.183 14.563 -11.452 1.00 51.43 H new ATOM 363 N GLY A 25 1.524 14.470 -3.615 1.00 22.41 N ATOM 364 CA GLY A 25 0.561 14.130 -2.584 1.00 21.30 C ATOM 365 C GLY A 25 1.224 13.718 -1.284 1.00 51.23 C ATOM 366 O GLY A 25 2.404 13.369 -1.248 1.00 11.12 O ATOM 0 H GLY A 25 2.481 14.593 -3.284 1.00 22.41 H new ATOM 0 HA2 GLY A 25 -0.089 14.986 -2.402 1.00 21.30 H new ATOM 0 HA3 GLY A 25 -0.074 13.318 -2.938 1.00 21.30 H new ATOM 370 N PRO A 26 0.456 13.758 -0.185 1.00 51.24 N ATOM 371 CA PRO A 26 0.955 13.391 1.143 1.00 22.20 C ATOM 372 C PRO A 26 1.226 11.895 1.267 1.00 11.34 C ATOM 373 O PRO A 26 0.307 11.079 1.185 1.00 23.31 O ATOM 374 CB PRO A 26 -0.183 13.808 2.078 1.00 72.34 C ATOM 375 CG PRO A 26 -1.405 13.771 1.226 1.00 10.21 C ATOM 376 CD PRO A 26 -0.959 14.165 -0.155 1.00 72.51 C ATOM 0 HA PRO A 26 1.907 13.872 1.368 1.00 22.20 H new ATOM 0 HB2 PRO A 26 -0.270 13.127 2.925 1.00 72.34 H new ATOM 0 HB3 PRO A 26 -0.015 14.805 2.486 1.00 72.34 H new ATOM 0 HG2 PRO A 26 -1.849 12.776 1.224 1.00 10.21 H new ATOM 0 HG3 PRO A 26 -2.164 14.457 1.602 1.00 10.21 H new ATOM 0 HD2 PRO A 26 -1.540 13.657 -0.925 1.00 72.51 H new ATOM 0 HD3 PRO A 26 -1.073 15.236 -0.324 1.00 72.51 H new ATOM 384 N LEU A 27 2.491 11.542 1.466 1.00 0.55 N ATOM 385 CA LEU A 27 2.883 10.144 1.603 1.00 32.10 C ATOM 386 C LEU A 27 2.737 9.676 3.047 1.00 11.15 C ATOM 387 O LEU A 27 2.319 10.439 3.918 1.00 3.44 O ATOM 388 CB LEU A 27 4.326 9.950 1.136 1.00 44.25 C ATOM 389 CG LEU A 27 5.408 10.569 2.022 1.00 33.32 C ATOM 390 CD1 LEU A 27 6.673 9.725 1.988 1.00 13.34 C ATOM 391 CD2 LEU A 27 5.704 11.996 1.585 1.00 62.10 C ATOM 0 H LEU A 27 3.263 12.205 1.536 1.00 0.55 H new ATOM 0 HA LEU A 27 2.221 9.545 0.978 1.00 32.10 H new ATOM 0 HB2 LEU A 27 4.520 8.880 1.054 1.00 44.25 H new ATOM 0 HB3 LEU A 27 4.422 10.369 0.134 1.00 44.25 H new ATOM 0 HG LEU A 27 5.040 10.594 3.048 1.00 33.32 H new ATOM 0 HD11 LEU A 27 7.432 10.181 2.624 1.00 13.34 H new ATOM 0 HD12 LEU A 27 6.451 8.721 2.351 1.00 13.34 H new ATOM 0 HD13 LEU A 27 7.044 9.667 0.965 1.00 13.34 H new ATOM 0 HD21 LEU A 27 6.476 12.420 2.227 1.00 62.10 H new ATOM 0 HD22 LEU A 27 6.051 11.996 0.552 1.00 62.10 H new ATOM 0 HD23 LEU A 27 4.797 12.596 1.663 1.00 62.10 H new ATOM 403 N ARG A 28 3.086 8.418 3.295 1.00 72.34 N ATOM 404 CA ARG A 28 2.995 7.849 4.634 1.00 74.53 C ATOM 405 C ARG A 28 4.310 8.021 5.388 1.00 34.14 C ATOM 406 O ARG A 28 4.331 8.512 6.518 1.00 73.14 O ATOM 407 CB ARG A 28 2.629 6.365 4.557 1.00 62.05 C ATOM 408 CG ARG A 28 1.477 5.973 5.468 1.00 44.33 C ATOM 409 CD ARG A 28 1.964 5.644 6.870 1.00 31.42 C ATOM 410 NE ARG A 28 0.874 5.645 7.842 1.00 12.31 N ATOM 411 CZ ARG A 28 0.950 5.063 9.033 1.00 25.44 C ATOM 412 NH1 ARG A 28 2.060 4.435 9.398 1.00 41.10 N ATOM 413 NH2 ARG A 28 -0.084 5.107 9.863 1.00 52.20 N ATOM 0 H ARG A 28 3.435 7.773 2.586 1.00 72.34 H new ATOM 0 HA ARG A 28 2.213 8.381 5.176 1.00 74.53 H new ATOM 0 HB2 ARG A 28 2.368 6.117 3.528 1.00 62.05 H new ATOM 0 HB3 ARG A 28 3.505 5.770 4.816 1.00 62.05 H new ATOM 0 HG2 ARG A 28 0.755 6.788 5.514 1.00 44.33 H new ATOM 0 HG3 ARG A 28 0.958 5.110 5.050 1.00 44.33 H new ATOM 0 HD2 ARG A 28 2.446 4.666 6.866 1.00 31.42 H new ATOM 0 HD3 ARG A 28 2.719 6.370 7.171 1.00 31.42 H new ATOM 0 HE ARG A 28 0.006 6.119 7.592 1.00 12.31 H new ATOM 0 HH11 ARG A 28 2.858 4.398 8.763 1.00 41.10 H new ATOM 0 HH12 ARG A 28 2.116 3.989 10.313 1.00 41.10 H new ATOM 0 HH21 ARG A 28 -0.940 5.589 9.587 1.00 52.20 H new ATOM 0 HH22 ARG A 28 -0.023 4.659 10.777 1.00 52.20 H new ATOM 427 N THR A 29 5.406 7.613 4.757 1.00 3.11 N ATOM 428 CA THR A 29 6.725 7.721 5.369 1.00 72.53 C ATOM 429 C THR A 29 7.826 7.651 4.317 1.00 60.40 C ATOM 430 O THR A 29 7.587 7.247 3.179 1.00 53.12 O ATOM 431 CB THR A 29 6.953 6.609 6.410 1.00 64.42 C ATOM 432 OG1 THR A 29 6.251 5.423 6.022 1.00 31.51 O ATOM 433 CG2 THR A 29 6.487 7.053 7.788 1.00 54.13 C ATOM 0 H THR A 29 5.407 7.205 3.822 1.00 3.11 H new ATOM 0 HA THR A 29 6.764 8.689 5.868 1.00 72.53 H new ATOM 0 HB THR A 29 8.022 6.399 6.456 1.00 64.42 H new ATOM 0 HG1 THR A 29 6.403 4.720 6.688 1.00 31.51 H new ATOM 0 HG21 THR A 29 6.658 6.251 8.506 1.00 54.13 H new ATOM 0 HG22 THR A 29 7.045 7.938 8.093 1.00 54.13 H new ATOM 0 HG23 THR A 29 5.423 7.288 7.754 1.00 54.13 H new ATOM 441 N VAL A 30 9.035 8.046 4.705 1.00 35.50 N ATOM 442 CA VAL A 30 10.174 8.026 3.796 1.00 71.35 C ATOM 443 C VAL A 30 11.430 7.524 4.499 1.00 1.41 C ATOM 444 O VAL A 30 11.649 7.808 5.677 1.00 70.02 O ATOM 445 CB VAL A 30 10.450 9.424 3.211 1.00 74.32 C ATOM 446 CG1 VAL A 30 10.528 10.461 4.321 1.00 51.05 C ATOM 447 CG2 VAL A 30 11.729 9.414 2.388 1.00 60.31 C ATOM 0 H VAL A 30 9.250 8.384 5.643 1.00 35.50 H new ATOM 0 HA VAL A 30 9.919 7.345 2.984 1.00 71.35 H new ATOM 0 HB VAL A 30 9.624 9.693 2.553 1.00 74.32 H new ATOM 0 HG11 VAL A 30 10.724 11.442 3.889 1.00 51.05 H new ATOM 0 HG12 VAL A 30 9.583 10.485 4.863 1.00 51.05 H new ATOM 0 HG13 VAL A 30 11.334 10.200 5.007 1.00 51.05 H new ATOM 0 HG21 VAL A 30 11.908 10.410 1.982 1.00 60.31 H new ATOM 0 HG22 VAL A 30 12.567 9.124 3.022 1.00 60.31 H new ATOM 0 HG23 VAL A 30 11.629 8.701 1.569 1.00 60.31 H new ATOM 457 N TRP A 31 12.252 6.779 3.770 1.00 70.33 N ATOM 458 CA TRP A 31 13.488 6.238 4.324 1.00 32.22 C ATOM 459 C TRP A 31 14.524 6.013 3.228 1.00 14.11 C ATOM 460 O TRP A 31 14.263 5.312 2.250 1.00 41.01 O ATOM 461 CB TRP A 31 13.210 4.925 5.057 1.00 20.54 C ATOM 462 CG TRP A 31 14.185 4.642 6.160 1.00 11.33 C ATOM 463 CD1 TRP A 31 14.136 5.119 7.439 1.00 31.43 C ATOM 464 CD2 TRP A 31 15.355 3.820 6.081 1.00 55.44 C ATOM 465 NE1 TRP A 31 15.205 4.642 8.160 1.00 52.34 N ATOM 466 CE2 TRP A 31 15.967 3.843 7.349 1.00 33.11 C ATOM 467 CE3 TRP A 31 15.943 3.066 5.062 1.00 1.02 C ATOM 468 CZ2 TRP A 31 17.138 3.141 7.623 1.00 53.33 C ATOM 469 CZ3 TRP A 31 17.106 2.370 5.335 1.00 15.43 C ATOM 470 CH2 TRP A 31 17.692 2.411 6.607 1.00 45.10 C ATOM 0 H TRP A 31 12.085 6.535 2.794 1.00 70.33 H new ATOM 0 HA TRP A 31 13.888 6.964 5.032 1.00 32.22 H new ATOM 0 HB2 TRP A 31 12.202 4.955 5.471 1.00 20.54 H new ATOM 0 HB3 TRP A 31 13.235 4.104 4.340 1.00 20.54 H new ATOM 0 HD1 TRP A 31 13.370 5.774 7.827 1.00 31.43 H new ATOM 0 HE1 TRP A 31 15.399 4.849 9.140 1.00 52.34 H new ATOM 0 HE3 TRP A 31 15.497 3.028 4.079 1.00 1.02 H new ATOM 0 HZ2 TRP A 31 17.593 3.172 8.602 1.00 53.33 H new ATOM 0 HZ3 TRP A 31 17.570 1.785 4.555 1.00 15.43 H new ATOM 0 HH2 TRP A 31 18.600 1.855 6.789 1.00 45.10 H new ATOM 481 N ILE A 32 15.698 6.612 3.398 1.00 73.50 N ATOM 482 CA ILE A 32 16.772 6.475 2.423 1.00 65.41 C ATOM 483 C ILE A 32 17.892 5.590 2.960 1.00 63.43 C ATOM 484 O ILE A 32 18.163 5.573 4.160 1.00 35.31 O ATOM 485 CB ILE A 32 17.358 7.845 2.034 1.00 0.14 C ATOM 486 CG1 ILE A 32 16.280 8.721 1.393 1.00 42.23 C ATOM 487 CG2 ILE A 32 18.537 7.669 1.089 1.00 31.40 C ATOM 488 CD1 ILE A 32 15.722 9.773 2.326 1.00 70.04 C ATOM 0 H ILE A 32 15.929 7.196 4.201 1.00 73.50 H new ATOM 0 HA ILE A 32 16.337 6.011 1.538 1.00 65.41 H new ATOM 0 HB ILE A 32 17.714 8.341 2.937 1.00 0.14 H new ATOM 0 HG12 ILE A 32 16.697 9.212 0.514 1.00 42.23 H new ATOM 0 HG13 ILE A 32 15.465 8.085 1.047 1.00 42.23 H new ATOM 0 HG21 ILE A 32 18.940 8.647 0.824 1.00 31.40 H new ATOM 0 HG22 ILE A 32 19.311 7.079 1.579 1.00 31.40 H new ATOM 0 HG23 ILE A 32 18.206 7.156 0.186 1.00 31.40 H new ATOM 0 HD11 ILE A 32 14.963 10.356 1.804 1.00 70.04 H new ATOM 0 HD12 ILE A 32 15.274 9.289 3.194 1.00 70.04 H new ATOM 0 HD13 ILE A 32 16.526 10.433 2.653 1.00 70.04 H new ATOM 500 N ALA A 33 18.542 4.857 2.061 1.00 32.54 N ATOM 501 CA ALA A 33 19.635 3.972 2.444 1.00 63.12 C ATOM 502 C ALA A 33 20.983 4.555 2.032 1.00 12.00 C ATOM 503 O ALA A 33 21.316 4.596 0.848 1.00 62.14 O ATOM 504 CB ALA A 33 19.442 2.596 1.824 1.00 21.34 C ATOM 0 H ALA A 33 18.330 4.859 1.063 1.00 32.54 H new ATOM 0 HA ALA A 33 19.627 3.874 3.530 1.00 63.12 H new ATOM 0 HB1 ALA A 33 20.266 1.945 2.118 1.00 21.34 H new ATOM 0 HB2 ALA A 33 18.501 2.169 2.171 1.00 21.34 H new ATOM 0 HB3 ALA A 33 19.421 2.686 0.738 1.00 21.34 H new ATOM 510 N ARG A 34 21.753 5.006 3.017 1.00 61.32 N ATOM 511 CA ARG A 34 23.064 5.589 2.756 1.00 72.51 C ATOM 512 C ARG A 34 24.100 4.500 2.490 1.00 54.13 C ATOM 513 O ARG A 34 25.103 4.735 1.818 1.00 52.32 O ATOM 514 CB ARG A 34 23.507 6.451 3.939 1.00 31.33 C ATOM 515 CG ARG A 34 24.600 7.448 3.591 1.00 55.22 C ATOM 516 CD ARG A 34 25.441 7.800 4.807 1.00 24.14 C ATOM 517 NE ARG A 34 26.683 8.475 4.438 1.00 74.25 N ATOM 518 CZ ARG A 34 27.724 8.597 5.253 1.00 30.11 C ATOM 519 NH1 ARG A 34 27.674 8.092 6.478 1.00 72.21 N ATOM 520 NH2 ARG A 34 28.819 9.225 4.844 1.00 52.03 N ATOM 0 H ARG A 34 21.492 4.979 4.003 1.00 61.32 H new ATOM 0 HA ARG A 34 22.985 6.216 1.868 1.00 72.51 H new ATOM 0 HB2 ARG A 34 22.644 6.992 4.327 1.00 31.33 H new ATOM 0 HB3 ARG A 34 23.861 5.801 4.739 1.00 31.33 H new ATOM 0 HG2 ARG A 34 25.240 7.031 2.813 1.00 55.22 H new ATOM 0 HG3 ARG A 34 24.151 8.354 3.183 1.00 55.22 H new ATOM 0 HD2 ARG A 34 24.864 8.442 5.473 1.00 24.14 H new ATOM 0 HD3 ARG A 34 25.674 6.891 5.362 1.00 24.14 H new ATOM 0 HE ARG A 34 26.754 8.875 3.502 1.00 74.25 H new ATOM 0 HH11 ARG A 34 26.834 7.608 6.796 1.00 72.21 H new ATOM 0 HH12 ARG A 34 28.475 8.187 7.102 1.00 72.21 H new ATOM 0 HH21 ARG A 34 28.862 9.615 3.902 1.00 52.03 H new ATOM 0 HH22 ARG A 34 29.618 9.318 5.471 1.00 52.03 H new ATOM 534 N ASN A 35 23.848 3.309 3.022 1.00 24.53 N ATOM 535 CA ASN A 35 24.760 2.184 2.843 1.00 34.12 C ATOM 536 C ASN A 35 25.148 2.027 1.376 1.00 23.13 C ATOM 537 O ASN A 35 26.322 2.085 1.010 1.00 42.23 O ATOM 538 CB ASN A 35 24.116 0.893 3.353 1.00 71.11 C ATOM 539 CG ASN A 35 24.759 0.392 4.632 1.00 60.35 C ATOM 540 OD1 ASN A 35 25.100 1.176 5.517 1.00 13.30 O ATOM 541 ND2 ASN A 35 24.928 -0.921 4.733 1.00 24.41 N ATOM 0 H ASN A 35 23.021 3.097 3.580 1.00 24.53 H new ATOM 0 HA ASN A 35 25.663 2.384 3.420 1.00 34.12 H new ATOM 0 HB2 ASN A 35 23.054 1.064 3.527 1.00 71.11 H new ATOM 0 HB3 ASN A 35 24.194 0.123 2.585 1.00 71.11 H new ATOM 0 HD21 ASN A 35 25.356 -1.317 5.570 1.00 24.41 H new ATOM 0 HD22 ASN A 35 24.630 -1.533 3.974 1.00 24.41 H new ATOM 548 N PRO A 36 24.140 1.823 0.516 1.00 51.44 N ATOM 549 CA PRO A 36 24.351 1.655 -0.925 1.00 52.03 C ATOM 550 C PRO A 36 24.796 2.947 -1.601 1.00 4.41 C ATOM 551 O PRO A 36 24.777 4.025 -1.006 1.00 44.45 O ATOM 552 CB PRO A 36 22.972 1.231 -1.438 1.00 43.24 C ATOM 553 CG PRO A 36 22.011 1.786 -0.445 1.00 1.52 C ATOM 554 CD PRO A 36 22.716 1.743 0.883 1.00 61.44 C ATOM 0 HA PRO A 36 25.141 0.936 -1.140 1.00 52.03 H new ATOM 0 HB2 PRO A 36 22.782 1.626 -2.436 1.00 43.24 H new ATOM 0 HB3 PRO A 36 22.891 0.146 -1.504 1.00 43.24 H new ATOM 0 HG2 PRO A 36 21.728 2.806 -0.704 1.00 1.52 H new ATOM 0 HG3 PRO A 36 21.094 1.198 -0.419 1.00 1.52 H new ATOM 0 HD2 PRO A 36 22.419 2.574 1.523 1.00 61.44 H new ATOM 0 HD3 PRO A 36 22.492 0.826 1.427 1.00 61.44 H new ATOM 562 N PRO A 37 25.207 2.840 -2.873 1.00 62.22 N ATOM 563 CA PRO A 37 25.664 3.991 -3.657 1.00 65.14 C ATOM 564 C PRO A 37 24.527 4.946 -4.002 1.00 70.04 C ATOM 565 O PRO A 37 24.757 6.114 -4.313 1.00 72.13 O ATOM 566 CB PRO A 37 26.230 3.352 -4.928 1.00 44.01 C ATOM 567 CG PRO A 37 25.512 2.053 -5.051 1.00 23.51 C ATOM 568 CD PRO A 37 25.256 1.586 -3.644 1.00 43.44 C ATOM 0 HA PRO A 37 26.386 4.596 -3.109 1.00 65.14 H new ATOM 0 HB2 PRO A 37 26.057 3.984 -5.799 1.00 44.01 H new ATOM 0 HB3 PRO A 37 27.307 3.203 -4.850 1.00 44.01 H new ATOM 0 HG2 PRO A 37 24.577 2.174 -5.598 1.00 23.51 H new ATOM 0 HG3 PRO A 37 26.111 1.327 -5.600 1.00 23.51 H new ATOM 0 HD2 PRO A 37 24.321 1.031 -3.569 1.00 43.44 H new ATOM 0 HD3 PRO A 37 26.048 0.926 -3.289 1.00 43.44 H new ATOM 576 N GLY A 38 23.298 4.441 -3.945 1.00 2.10 N ATOM 577 CA GLY A 38 22.143 5.264 -4.254 1.00 21.32 C ATOM 578 C GLY A 38 20.857 4.463 -4.302 1.00 21.32 C ATOM 579 O GLY A 38 20.399 4.074 -5.377 1.00 11.35 O ATOM 0 H GLY A 38 23.082 3.477 -3.690 1.00 2.10 H new ATOM 0 HA2 GLY A 38 22.050 6.050 -3.505 1.00 21.32 H new ATOM 0 HA3 GLY A 38 22.297 5.756 -5.215 1.00 21.32 H new ATOM 583 N PHE A 39 20.274 4.213 -3.134 1.00 75.13 N ATOM 584 CA PHE A 39 19.034 3.450 -3.047 1.00 53.21 C ATOM 585 C PHE A 39 18.181 3.930 -1.876 1.00 23.11 C ATOM 586 O PHE A 39 18.598 3.856 -0.720 1.00 54.22 O ATOM 587 CB PHE A 39 19.337 1.958 -2.894 1.00 45.41 C ATOM 588 CG PHE A 39 19.758 1.298 -4.176 1.00 23.24 C ATOM 589 CD1 PHE A 39 19.048 1.511 -5.346 1.00 42.42 C ATOM 590 CD2 PHE A 39 20.864 0.464 -4.210 1.00 61.20 C ATOM 591 CE1 PHE A 39 19.433 0.904 -6.527 1.00 10.15 C ATOM 592 CE2 PHE A 39 21.254 -0.146 -5.388 1.00 31.03 C ATOM 593 CZ PHE A 39 20.538 0.075 -6.548 1.00 12.44 C ATOM 0 H PHE A 39 20.640 4.527 -2.235 1.00 75.13 H new ATOM 0 HA PHE A 39 18.475 3.607 -3.970 1.00 53.21 H new ATOM 0 HB2 PHE A 39 20.125 1.830 -2.152 1.00 45.41 H new ATOM 0 HB3 PHE A 39 18.451 1.453 -2.508 1.00 45.41 H new ATOM 0 HD1 PHE A 39 18.184 2.159 -5.336 1.00 42.42 H new ATOM 0 HD2 PHE A 39 21.428 0.288 -3.306 1.00 61.20 H new ATOM 0 HE1 PHE A 39 18.870 1.078 -7.432 1.00 10.15 H new ATOM 0 HE2 PHE A 39 22.118 -0.795 -5.401 1.00 31.03 H new ATOM 0 HZ PHE A 39 20.841 -0.399 -7.470 1.00 12.44 H new ATOM 603 N ALA A 40 16.986 4.422 -2.184 1.00 51.14 N ATOM 604 CA ALA A 40 16.074 4.913 -1.159 1.00 31.34 C ATOM 605 C ALA A 40 14.681 4.318 -1.333 1.00 14.20 C ATOM 606 O ALA A 40 14.278 3.969 -2.443 1.00 21.11 O ATOM 607 CB ALA A 40 16.009 6.432 -1.193 1.00 5.51 C ATOM 0 H ALA A 40 16.627 4.491 -3.136 1.00 51.14 H new ATOM 0 HA ALA A 40 16.456 4.599 -0.188 1.00 31.34 H new ATOM 0 HB1 ALA A 40 15.324 6.784 -0.422 1.00 5.51 H new ATOM 0 HB2 ALA A 40 17.002 6.843 -1.011 1.00 5.51 H new ATOM 0 HB3 ALA A 40 15.654 6.759 -2.170 1.00 5.51 H new ATOM 613 N PHE A 41 13.948 4.205 -0.230 1.00 3.02 N ATOM 614 CA PHE A 41 12.600 3.651 -0.261 1.00 31.32 C ATOM 615 C PHE A 41 11.595 4.631 0.338 1.00 61.31 C ATOM 616 O PHE A 41 11.910 5.367 1.273 1.00 44.34 O ATOM 617 CB PHE A 41 12.553 2.325 0.502 1.00 51.11 C ATOM 618 CG PHE A 41 12.466 1.122 -0.393 1.00 23.43 C ATOM 619 CD1 PHE A 41 13.616 0.508 -0.864 1.00 11.21 C ATOM 620 CD2 PHE A 41 11.236 0.603 -0.762 1.00 15.51 C ATOM 621 CE1 PHE A 41 13.539 -0.599 -1.688 1.00 11.22 C ATOM 622 CE2 PHE A 41 11.152 -0.504 -1.585 1.00 43.32 C ATOM 623 CZ PHE A 41 12.306 -1.106 -2.048 1.00 33.11 C ATOM 0 H PHE A 41 14.265 4.490 0.697 1.00 3.02 H new ATOM 0 HA PHE A 41 12.331 3.473 -1.302 1.00 31.32 H new ATOM 0 HB2 PHE A 41 13.444 2.241 1.125 1.00 51.11 H new ATOM 0 HB3 PHE A 41 11.694 2.331 1.173 1.00 51.11 H new ATOM 0 HD1 PHE A 41 14.583 0.899 -0.584 1.00 11.21 H new ATOM 0 HD2 PHE A 41 10.331 1.069 -0.402 1.00 15.51 H new ATOM 0 HE1 PHE A 41 14.442 -1.067 -2.050 1.00 11.22 H new ATOM 0 HE2 PHE A 41 10.186 -0.898 -1.866 1.00 43.32 H new ATOM 0 HZ PHE A 41 12.244 -1.972 -2.691 1.00 33.11 H new ATOM 633 N VAL A 42 10.383 4.634 -0.208 1.00 42.03 N ATOM 634 CA VAL A 42 9.331 5.522 0.271 1.00 0.30 C ATOM 635 C VAL A 42 7.984 4.809 0.307 1.00 51.54 C ATOM 636 O VAL A 42 7.737 3.890 -0.473 1.00 31.01 O ATOM 637 CB VAL A 42 9.212 6.779 -0.612 1.00 74.40 C ATOM 638 CG1 VAL A 42 8.235 7.771 0.000 1.00 0.13 C ATOM 639 CG2 VAL A 42 10.577 7.418 -0.816 1.00 31.13 C ATOM 0 H VAL A 42 10.106 4.031 -0.983 1.00 42.03 H new ATOM 0 HA VAL A 42 9.606 5.823 1.282 1.00 0.30 H new ATOM 0 HB VAL A 42 8.827 6.482 -1.587 1.00 74.40 H new ATOM 0 HG11 VAL A 42 8.164 8.652 -0.638 1.00 0.13 H new ATOM 0 HG12 VAL A 42 7.253 7.307 0.088 1.00 0.13 H new ATOM 0 HG13 VAL A 42 8.587 8.066 0.989 1.00 0.13 H new ATOM 0 HG21 VAL A 42 10.474 8.304 -1.442 1.00 31.13 H new ATOM 0 HG22 VAL A 42 10.994 7.703 0.150 1.00 31.13 H new ATOM 0 HG23 VAL A 42 11.243 6.706 -1.303 1.00 31.13 H new ATOM 649 N GLU A 43 7.116 5.241 1.216 1.00 11.13 N ATOM 650 CA GLU A 43 5.793 4.643 1.353 1.00 1.11 C ATOM 651 C GLU A 43 4.703 5.707 1.265 1.00 1.40 C ATOM 652 O GLU A 43 4.752 6.721 1.962 1.00 51.21 O ATOM 653 CB GLU A 43 5.683 3.893 2.682 1.00 11.45 C ATOM 654 CG GLU A 43 4.533 2.902 2.728 1.00 34.35 C ATOM 655 CD GLU A 43 4.890 1.627 3.468 1.00 45.02 C ATOM 656 OE1 GLU A 43 5.959 1.051 3.176 1.00 43.32 O ATOM 657 OE2 GLU A 43 4.101 1.206 4.339 1.00 71.41 O ATOM 0 H GLU A 43 7.305 6.002 1.868 1.00 11.13 H new ATOM 0 HA GLU A 43 5.655 3.938 0.534 1.00 1.11 H new ATOM 0 HB2 GLU A 43 6.617 3.362 2.868 1.00 11.45 H new ATOM 0 HB3 GLU A 43 5.561 4.616 3.489 1.00 11.45 H new ATOM 0 HG2 GLU A 43 3.675 3.369 3.211 1.00 34.35 H new ATOM 0 HG3 GLU A 43 4.231 2.654 1.710 1.00 34.35 H new ATOM 664 N PHE A 44 3.720 5.469 0.403 1.00 42.31 N ATOM 665 CA PHE A 44 2.618 6.407 0.221 1.00 5.35 C ATOM 666 C PHE A 44 1.379 5.945 0.982 1.00 24.52 C ATOM 667 O PHE A 44 0.967 4.790 0.873 1.00 52.53 O ATOM 668 CB PHE A 44 2.290 6.560 -1.265 1.00 45.32 C ATOM 669 CG PHE A 44 2.678 7.897 -1.830 1.00 54.10 C ATOM 670 CD1 PHE A 44 1.952 9.034 -1.513 1.00 5.32 C ATOM 671 CD2 PHE A 44 3.766 8.016 -2.679 1.00 3.33 C ATOM 672 CE1 PHE A 44 2.306 10.266 -2.031 1.00 2.14 C ATOM 673 CE2 PHE A 44 4.125 9.245 -3.199 1.00 40.41 C ATOM 674 CZ PHE A 44 3.393 10.371 -2.876 1.00 4.53 C ATOM 0 H PHE A 44 3.664 4.634 -0.181 1.00 42.31 H new ATOM 0 HA PHE A 44 2.928 7.373 0.619 1.00 5.35 H new ATOM 0 HB2 PHE A 44 2.801 5.776 -1.824 1.00 45.32 H new ATOM 0 HB3 PHE A 44 1.220 6.410 -1.410 1.00 45.32 H new ATOM 0 HD1 PHE A 44 1.100 8.957 -0.854 1.00 5.32 H new ATOM 0 HD2 PHE A 44 4.340 7.139 -2.937 1.00 3.33 H new ATOM 0 HE1 PHE A 44 1.733 11.145 -1.775 1.00 2.14 H new ATOM 0 HE2 PHE A 44 4.977 9.325 -3.857 1.00 40.41 H new ATOM 0 HZ PHE A 44 3.670 11.332 -3.284 1.00 4.53 H new ATOM 684 N GLU A 45 0.792 6.854 1.753 1.00 13.04 N ATOM 685 CA GLU A 45 -0.399 6.539 2.534 1.00 72.45 C ATOM 686 C GLU A 45 -1.496 5.963 1.643 1.00 55.22 C ATOM 687 O GLU A 45 -2.274 5.110 2.070 1.00 32.13 O ATOM 688 CB GLU A 45 -0.912 7.789 3.250 1.00 15.23 C ATOM 689 CG GLU A 45 -1.589 8.787 2.325 1.00 62.30 C ATOM 690 CD GLU A 45 -2.169 9.973 3.070 1.00 1.20 C ATOM 691 OE1 GLU A 45 -3.127 9.776 3.846 1.00 54.43 O ATOM 692 OE2 GLU A 45 -1.663 11.099 2.877 1.00 34.21 O ATOM 0 H GLU A 45 1.121 7.814 1.854 1.00 13.04 H new ATOM 0 HA GLU A 45 -0.127 5.790 3.278 1.00 72.45 H new ATOM 0 HB2 GLU A 45 -1.617 7.489 4.026 1.00 15.23 H new ATOM 0 HB3 GLU A 45 -0.077 8.279 3.750 1.00 15.23 H new ATOM 0 HG2 GLU A 45 -0.867 9.142 1.590 1.00 62.30 H new ATOM 0 HG3 GLU A 45 -2.384 8.285 1.774 1.00 62.30 H new ATOM 699 N ASP A 46 -1.553 6.437 0.403 1.00 62.10 N ATOM 700 CA ASP A 46 -2.554 5.970 -0.549 1.00 42.02 C ATOM 701 C ASP A 46 -1.890 5.371 -1.785 1.00 53.14 C ATOM 702 O ASP A 46 -0.777 5.739 -2.162 1.00 74.33 O ATOM 703 CB ASP A 46 -3.476 7.120 -0.957 1.00 33.12 C ATOM 704 CG ASP A 46 -4.824 7.054 -0.265 1.00 4.51 C ATOM 705 OD1 ASP A 46 -5.322 5.931 -0.042 1.00 43.41 O ATOM 706 OD2 ASP A 46 -5.380 8.126 0.053 1.00 14.41 O ATOM 0 H ASP A 46 -0.918 7.144 0.034 1.00 62.10 H new ATOM 0 HA ASP A 46 -3.147 5.194 -0.065 1.00 42.02 H new ATOM 0 HB2 ASP A 46 -2.995 8.069 -0.720 1.00 33.12 H new ATOM 0 HB3 ASP A 46 -3.624 7.098 -2.037 1.00 33.12 H new ATOM 711 N PRO A 47 -2.588 4.425 -2.432 1.00 4.20 N ATOM 712 CA PRO A 47 -2.085 3.755 -3.635 1.00 33.31 C ATOM 713 C PRO A 47 -2.041 4.686 -4.842 1.00 32.42 C ATOM 714 O PRO A 47 -1.027 4.771 -5.535 1.00 74.11 O ATOM 715 CB PRO A 47 -3.098 2.630 -3.864 1.00 15.35 C ATOM 716 CG PRO A 47 -4.352 3.114 -3.220 1.00 72.51 C ATOM 717 CD PRO A 47 -3.920 3.938 -2.039 1.00 33.31 C ATOM 0 HA PRO A 47 -1.060 3.406 -3.509 1.00 33.31 H new ATOM 0 HB2 PRO A 47 -3.246 2.441 -4.927 1.00 15.35 H new ATOM 0 HB3 PRO A 47 -2.759 1.695 -3.418 1.00 15.35 H new ATOM 0 HG2 PRO A 47 -4.943 3.709 -3.916 1.00 72.51 H new ATOM 0 HG3 PRO A 47 -4.977 2.278 -2.905 1.00 72.51 H new ATOM 0 HD2 PRO A 47 -4.609 4.761 -1.850 1.00 33.31 H new ATOM 0 HD3 PRO A 47 -3.877 3.342 -1.127 1.00 33.31 H new ATOM 725 N ARG A 48 -3.146 5.382 -5.087 1.00 34.20 N ATOM 726 CA ARG A 48 -3.233 6.306 -6.211 1.00 55.20 C ATOM 727 C ARG A 48 -2.087 7.313 -6.177 1.00 54.00 C ATOM 728 O ARG A 48 -1.528 7.668 -7.215 1.00 73.50 O ATOM 729 CB ARG A 48 -4.574 7.043 -6.191 1.00 32.44 C ATOM 730 CG ARG A 48 -4.824 7.817 -4.907 1.00 11.21 C ATOM 731 CD ARG A 48 -6.297 7.808 -4.528 1.00 62.23 C ATOM 732 NE ARG A 48 -6.626 6.698 -3.638 1.00 0.12 N ATOM 733 CZ ARG A 48 -7.732 6.648 -2.903 1.00 43.43 C ATOM 734 NH1 ARG A 48 -8.610 7.640 -2.953 1.00 50.34 N ATOM 735 NH2 ARG A 48 -7.961 5.604 -2.117 1.00 2.41 N ATOM 0 H ARG A 48 -3.993 5.324 -4.522 1.00 34.20 H new ATOM 0 HA ARG A 48 -3.158 5.727 -7.131 1.00 55.20 H new ATOM 0 HB2 ARG A 48 -4.613 7.732 -7.034 1.00 32.44 H new ATOM 0 HB3 ARG A 48 -5.378 6.321 -6.332 1.00 32.44 H new ATOM 0 HG2 ARG A 48 -4.237 7.382 -4.098 1.00 11.21 H new ATOM 0 HG3 ARG A 48 -4.485 8.846 -5.029 1.00 11.21 H new ATOM 0 HD2 ARG A 48 -6.552 8.750 -4.042 1.00 62.23 H new ATOM 0 HD3 ARG A 48 -6.903 7.740 -5.431 1.00 62.23 H new ATOM 0 HE ARG A 48 -5.971 5.918 -3.577 1.00 0.12 H new ATOM 0 HH11 ARG A 48 -8.437 8.444 -3.557 1.00 50.34 H new ATOM 0 HH12 ARG A 48 -9.458 7.599 -2.388 1.00 50.34 H new ATOM 0 HH21 ARG A 48 -7.288 4.839 -2.076 1.00 2.41 H new ATOM 0 HH22 ARG A 48 -8.810 5.567 -1.553 1.00 2.41 H new ATOM 749 N ASP A 49 -1.744 7.770 -4.978 1.00 24.21 N ATOM 750 CA ASP A 49 -0.664 8.735 -4.808 1.00 51.42 C ATOM 751 C ASP A 49 0.683 8.111 -5.159 1.00 1.53 C ATOM 752 O ASP A 49 1.564 8.778 -5.701 1.00 24.41 O ATOM 753 CB ASP A 49 -0.640 9.258 -3.371 1.00 23.21 C ATOM 754 CG ASP A 49 -1.995 9.761 -2.915 1.00 32.55 C ATOM 755 OD1 ASP A 49 -2.876 9.960 -3.778 1.00 2.24 O ATOM 756 OD2 ASP A 49 -2.176 9.954 -1.694 1.00 61.52 O ATOM 0 H ASP A 49 -2.198 7.488 -4.109 1.00 24.21 H new ATOM 0 HA ASP A 49 -0.845 9.569 -5.486 1.00 51.42 H new ATOM 0 HB2 ASP A 49 -0.308 8.463 -2.704 1.00 23.21 H new ATOM 0 HB3 ASP A 49 0.089 10.065 -3.293 1.00 23.21 H new ATOM 761 N ALA A 50 0.835 6.829 -4.844 1.00 44.32 N ATOM 762 CA ALA A 50 2.074 6.115 -5.127 1.00 5.44 C ATOM 763 C ALA A 50 2.266 5.921 -6.627 1.00 3.01 C ATOM 764 O ALA A 50 3.367 6.095 -7.148 1.00 62.12 O ATOM 765 CB ALA A 50 2.084 4.772 -4.413 1.00 32.40 C ATOM 0 H ALA A 50 0.116 6.264 -4.393 1.00 44.32 H new ATOM 0 HA ALA A 50 2.904 6.717 -4.757 1.00 5.44 H new ATOM 0 HB1 ALA A 50 3.015 4.250 -4.633 1.00 32.40 H new ATOM 0 HB2 ALA A 50 2.003 4.931 -3.338 1.00 32.40 H new ATOM 0 HB3 ALA A 50 1.241 4.172 -4.756 1.00 32.40 H new ATOM 771 N GLU A 51 1.188 5.559 -7.315 1.00 31.12 N ATOM 772 CA GLU A 51 1.240 5.340 -8.755 1.00 73.35 C ATOM 773 C GLU A 51 1.507 6.647 -9.496 1.00 14.24 C ATOM 774 O GLU A 51 2.358 6.708 -10.383 1.00 2.14 O ATOM 775 CB GLU A 51 -0.071 4.721 -9.247 1.00 44.00 C ATOM 776 CG GLU A 51 0.106 3.775 -10.423 1.00 3.11 C ATOM 777 CD GLU A 51 -0.249 2.342 -10.077 1.00 63.03 C ATOM 778 OE1 GLU A 51 -1.195 2.138 -9.289 1.00 13.20 O ATOM 779 OE2 GLU A 51 0.421 1.424 -10.596 1.00 52.01 O ATOM 0 H GLU A 51 0.269 5.411 -6.898 1.00 31.12 H new ATOM 0 HA GLU A 51 2.059 4.652 -8.962 1.00 73.35 H new ATOM 0 HB2 GLU A 51 -0.539 4.181 -8.424 1.00 44.00 H new ATOM 0 HB3 GLU A 51 -0.755 5.520 -9.534 1.00 44.00 H new ATOM 0 HG2 GLU A 51 -0.518 4.110 -11.251 1.00 3.11 H new ATOM 0 HG3 GLU A 51 1.140 3.817 -10.766 1.00 3.11 H new ATOM 786 N ASP A 52 0.772 7.690 -9.125 1.00 5.42 N ATOM 787 CA ASP A 52 0.929 8.997 -9.752 1.00 43.42 C ATOM 788 C ASP A 52 2.317 9.569 -9.477 1.00 54.23 C ATOM 789 O ASP A 52 2.976 10.084 -10.379 1.00 43.34 O ATOM 790 CB ASP A 52 -0.143 9.962 -9.245 1.00 14.42 C ATOM 791 CG ASP A 52 -0.518 11.007 -10.278 1.00 30.21 C ATOM 792 OD1 ASP A 52 0.146 11.061 -11.334 1.00 30.01 O ATOM 793 OD2 ASP A 52 -1.475 11.771 -10.030 1.00 63.30 O ATOM 0 H ASP A 52 0.062 7.656 -8.394 1.00 5.42 H new ATOM 0 HA ASP A 52 0.814 8.872 -10.829 1.00 43.42 H new ATOM 0 HB2 ASP A 52 -1.032 9.398 -8.964 1.00 14.42 H new ATOM 0 HB3 ASP A 52 0.217 10.459 -8.344 1.00 14.42 H new ATOM 798 N ALA A 53 2.752 9.476 -8.225 1.00 62.42 N ATOM 799 CA ALA A 53 4.061 9.983 -7.832 1.00 31.52 C ATOM 800 C ALA A 53 5.173 9.307 -8.626 1.00 61.54 C ATOM 801 O ALA A 53 5.986 9.973 -9.267 1.00 54.42 O ATOM 802 CB ALA A 53 4.278 9.781 -6.339 1.00 63.34 C ATOM 0 H ALA A 53 2.217 9.054 -7.466 1.00 62.42 H new ATOM 0 HA ALA A 53 4.091 11.050 -8.052 1.00 31.52 H new ATOM 0 HB1 ALA A 53 5.259 10.164 -6.059 1.00 63.34 H new ATOM 0 HB2 ALA A 53 3.508 10.316 -5.784 1.00 63.34 H new ATOM 0 HB3 ALA A 53 4.223 8.718 -6.104 1.00 63.34 H new ATOM 808 N VAL A 54 5.204 7.978 -8.580 1.00 3.41 N ATOM 809 CA VAL A 54 6.217 7.212 -9.296 1.00 31.11 C ATOM 810 C VAL A 54 6.205 7.541 -10.784 1.00 52.14 C ATOM 811 O VAL A 54 7.211 7.982 -11.341 1.00 75.54 O ATOM 812 CB VAL A 54 6.006 5.697 -9.115 1.00 24.12 C ATOM 813 CG1 VAL A 54 7.017 4.915 -9.940 1.00 73.31 C ATOM 814 CG2 VAL A 54 6.100 5.319 -7.644 1.00 73.43 C ATOM 0 H VAL A 54 4.539 7.410 -8.054 1.00 3.41 H new ATOM 0 HA VAL A 54 7.182 7.491 -8.873 1.00 31.11 H new ATOM 0 HB VAL A 54 5.008 5.441 -9.470 1.00 24.12 H new ATOM 0 HG11 VAL A 54 6.853 3.847 -9.800 1.00 73.31 H new ATOM 0 HG12 VAL A 54 6.898 5.165 -10.994 1.00 73.31 H new ATOM 0 HG13 VAL A 54 8.026 5.172 -9.618 1.00 73.31 H new ATOM 0 HG21 VAL A 54 5.949 4.245 -7.534 1.00 73.43 H new ATOM 0 HG22 VAL A 54 7.085 5.588 -7.261 1.00 73.43 H new ATOM 0 HG23 VAL A 54 5.334 5.853 -7.081 1.00 73.43 H new ATOM 824 N ARG A 55 5.060 7.325 -11.423 1.00 54.03 N ATOM 825 CA ARG A 55 4.916 7.598 -12.848 1.00 44.22 C ATOM 826 C ARG A 55 5.377 9.015 -13.179 1.00 60.32 C ATOM 827 O ARG A 55 5.962 9.258 -14.234 1.00 24.33 O ATOM 828 CB ARG A 55 3.462 7.409 -13.282 1.00 15.23 C ATOM 829 CG ARG A 55 3.012 5.957 -13.291 1.00 5.14 C ATOM 830 CD ARG A 55 1.497 5.843 -13.332 1.00 14.11 C ATOM 831 NE ARG A 55 1.055 4.705 -14.133 1.00 30.51 N ATOM 832 CZ ARG A 55 1.020 4.710 -15.461 1.00 23.42 C ATOM 833 NH1 ARG A 55 1.400 5.788 -16.133 1.00 75.51 N ATOM 834 NH2 ARG A 55 0.606 3.634 -16.119 1.00 0.41 N ATOM 0 H ARG A 55 4.218 6.962 -10.976 1.00 54.03 H new ATOM 0 HA ARG A 55 5.544 6.893 -13.392 1.00 44.22 H new ATOM 0 HB2 ARG A 55 2.815 7.977 -12.613 1.00 15.23 H new ATOM 0 HB3 ARG A 55 3.333 7.827 -14.280 1.00 15.23 H new ATOM 0 HG2 ARG A 55 3.440 5.448 -14.155 1.00 5.14 H new ATOM 0 HG3 ARG A 55 3.392 5.452 -12.403 1.00 5.14 H new ATOM 0 HD2 ARG A 55 1.114 5.742 -12.317 1.00 14.11 H new ATOM 0 HD3 ARG A 55 1.075 6.761 -13.742 1.00 14.11 H new ATOM 0 HE ARG A 55 0.757 3.860 -13.646 1.00 30.51 H new ATOM 0 HH11 ARG A 55 1.720 6.616 -15.630 1.00 75.51 H new ATOM 0 HH12 ARG A 55 1.372 5.789 -17.153 1.00 75.51 H new ATOM 0 HH21 ARG A 55 0.314 2.803 -15.605 1.00 0.41 H new ATOM 0 HH22 ARG A 55 0.579 3.639 -17.139 1.00 0.41 H new ATOM 848 N GLY A 56 5.108 9.947 -12.270 1.00 74.01 N ATOM 849 CA GLY A 56 5.501 11.327 -12.484 1.00 54.53 C ATOM 850 C GLY A 56 7.003 11.517 -12.431 1.00 5.43 C ATOM 851 O GLY A 56 7.623 11.912 -13.420 1.00 14.13 O ATOM 0 H GLY A 56 4.625 9.771 -11.389 1.00 74.01 H new ATOM 0 HA2 GLY A 56 5.130 11.661 -13.453 1.00 54.53 H new ATOM 0 HA3 GLY A 56 5.031 11.957 -11.728 1.00 54.53 H new ATOM 855 N LEU A 57 7.592 11.238 -11.273 1.00 45.12 N ATOM 856 CA LEU A 57 9.033 11.382 -11.093 1.00 60.15 C ATOM 857 C LEU A 57 9.796 10.563 -12.130 1.00 54.12 C ATOM 858 O LEU A 57 10.640 11.091 -12.854 1.00 4.04 O ATOM 859 CB LEU A 57 9.437 10.945 -9.684 1.00 41.22 C ATOM 860 CG LEU A 57 9.371 12.024 -8.602 1.00 74.24 C ATOM 861 CD1 LEU A 57 7.961 12.583 -8.493 1.00 12.35 C ATOM 862 CD2 LEU A 57 9.831 11.465 -7.264 1.00 14.44 C ATOM 0 H LEU A 57 7.094 10.911 -10.445 1.00 45.12 H new ATOM 0 HA LEU A 57 9.288 12.433 -11.228 1.00 60.15 H new ATOM 0 HB2 LEU A 57 8.794 10.118 -9.384 1.00 41.22 H new ATOM 0 HB3 LEU A 57 10.456 10.559 -9.723 1.00 41.22 H new ATOM 0 HG LEU A 57 10.041 12.837 -8.883 1.00 74.24 H new ATOM 0 HD11 LEU A 57 7.932 13.349 -7.718 1.00 12.35 H new ATOM 0 HD12 LEU A 57 7.668 13.021 -9.447 1.00 12.35 H new ATOM 0 HD13 LEU A 57 7.270 11.780 -8.235 1.00 12.35 H new ATOM 0 HD21 LEU A 57 9.778 12.246 -6.506 1.00 14.44 H new ATOM 0 HD22 LEU A 57 9.186 10.635 -6.976 1.00 14.44 H new ATOM 0 HD23 LEU A 57 10.859 11.113 -7.351 1.00 14.44 H new ATOM 874 N ASP A 58 9.490 9.272 -12.198 1.00 3.13 N ATOM 875 CA ASP A 58 10.144 8.380 -13.148 1.00 44.44 C ATOM 876 C ASP A 58 9.842 8.800 -14.584 1.00 3.25 C ATOM 877 O ASP A 58 10.684 8.666 -15.471 1.00 31.33 O ATOM 878 CB ASP A 58 9.693 6.937 -12.920 1.00 51.02 C ATOM 879 CG ASP A 58 10.085 6.020 -14.062 1.00 53.45 C ATOM 880 OD1 ASP A 58 11.287 5.968 -14.396 1.00 42.21 O ATOM 881 OD2 ASP A 58 9.189 5.355 -14.622 1.00 60.43 O ATOM 0 H ASP A 58 8.793 8.820 -11.606 1.00 3.13 H new ATOM 0 HA ASP A 58 11.220 8.445 -12.988 1.00 44.44 H new ATOM 0 HB2 ASP A 58 10.130 6.565 -11.993 1.00 51.02 H new ATOM 0 HB3 ASP A 58 8.611 6.913 -12.794 1.00 51.02 H new ATOM 886 N GLY A 59 8.634 9.309 -14.804 1.00 73.23 N ATOM 887 CA GLY A 59 8.241 9.739 -16.134 1.00 4.15 C ATOM 888 C GLY A 59 8.844 11.078 -16.511 1.00 62.30 C ATOM 889 O GLY A 59 8.873 11.445 -17.686 1.00 11.43 O ATOM 0 H GLY A 59 7.920 9.431 -14.086 1.00 73.23 H new ATOM 0 HA2 GLY A 59 8.548 8.988 -16.861 1.00 4.15 H new ATOM 0 HA3 GLY A 59 7.154 9.806 -16.185 1.00 4.15 H new ATOM 893 N LYS A 60 9.326 11.810 -15.513 1.00 2.32 N ATOM 894 CA LYS A 60 9.931 13.117 -15.745 1.00 22.55 C ATOM 895 C LYS A 60 10.807 13.527 -14.565 1.00 51.52 C ATOM 896 O LYS A 60 10.340 13.601 -13.428 1.00 63.33 O ATOM 897 CB LYS A 60 8.846 14.170 -15.979 1.00 30.30 C ATOM 898 CG LYS A 60 8.882 14.781 -17.369 1.00 1.42 C ATOM 899 CD LYS A 60 9.737 16.037 -17.403 1.00 55.52 C ATOM 900 CE LYS A 60 10.690 16.031 -18.589 1.00 15.14 C ATOM 901 NZ LYS A 60 10.011 16.445 -19.848 1.00 21.20 N ATOM 0 H LYS A 60 9.310 11.521 -14.535 1.00 2.32 H new ATOM 0 HA LYS A 60 10.558 13.047 -16.634 1.00 22.55 H new ATOM 0 HB2 LYS A 60 7.869 13.715 -15.816 1.00 30.30 H new ATOM 0 HB3 LYS A 60 8.956 14.963 -15.239 1.00 30.30 H new ATOM 0 HG2 LYS A 60 9.275 14.052 -18.078 1.00 1.42 H new ATOM 0 HG3 LYS A 60 7.868 15.021 -17.689 1.00 1.42 H new ATOM 0 HD2 LYS A 60 9.093 16.915 -17.457 1.00 55.52 H new ATOM 0 HD3 LYS A 60 10.307 16.116 -16.477 1.00 55.52 H new ATOM 0 HE2 LYS A 60 11.524 16.703 -18.388 1.00 15.14 H new ATOM 0 HE3 LYS A 60 11.109 15.032 -18.714 1.00 15.14 H new ATOM 0 HZ1 LYS A 60 10.694 16.428 -20.632 1.00 21.20 H new ATOM 0 HZ2 LYS A 60 9.231 15.789 -20.054 1.00 21.20 H new ATOM 0 HZ3 LYS A 60 9.634 17.408 -19.738 1.00 21.20 H new ATOM 915 N VAL A 61 12.079 13.796 -14.843 1.00 53.25 N ATOM 916 CA VAL A 61 13.019 14.203 -13.806 1.00 30.51 C ATOM 917 C VAL A 61 12.420 15.285 -12.915 1.00 2.00 C ATOM 918 O VAL A 61 11.583 16.073 -13.356 1.00 43.30 O ATOM 919 CB VAL A 61 14.335 14.723 -14.414 1.00 10.23 C ATOM 920 CG1 VAL A 61 14.888 13.728 -15.422 1.00 61.13 C ATOM 921 CG2 VAL A 61 14.122 16.085 -15.058 1.00 31.22 C ATOM 0 H VAL A 61 12.482 13.739 -15.778 1.00 53.25 H new ATOM 0 HA VAL A 61 13.230 13.318 -13.205 1.00 30.51 H new ATOM 0 HB VAL A 61 15.066 14.835 -13.613 1.00 10.23 H new ATOM 0 HG11 VAL A 61 15.818 14.113 -15.841 1.00 61.13 H new ATOM 0 HG12 VAL A 61 15.080 12.776 -14.926 1.00 61.13 H new ATOM 0 HG13 VAL A 61 14.163 13.580 -16.223 1.00 61.13 H new ATOM 0 HG21 VAL A 61 15.062 16.438 -15.483 1.00 31.22 H new ATOM 0 HG22 VAL A 61 13.376 16.001 -15.848 1.00 31.22 H new ATOM 0 HG23 VAL A 61 13.776 16.793 -14.305 1.00 31.22 H new ATOM 931 N ILE A 62 12.855 15.318 -11.660 1.00 34.43 N ATOM 932 CA ILE A 62 12.362 16.305 -10.707 1.00 24.21 C ATOM 933 C ILE A 62 13.478 17.246 -10.265 1.00 52.33 C ATOM 934 O ILE A 62 14.512 16.806 -9.762 1.00 44.51 O ATOM 935 CB ILE A 62 11.752 15.632 -9.464 1.00 32.34 C ATOM 936 CG1 ILE A 62 11.400 16.683 -8.409 1.00 23.44 C ATOM 937 CG2 ILE A 62 12.715 14.601 -8.893 1.00 15.35 C ATOM 938 CD1 ILE A 62 12.454 16.836 -7.334 1.00 41.33 C ATOM 0 H ILE A 62 13.548 14.673 -11.279 1.00 34.43 H new ATOM 0 HA ILE A 62 11.587 16.877 -11.217 1.00 24.21 H new ATOM 0 HB ILE A 62 10.836 15.120 -9.759 1.00 32.34 H new ATOM 0 HG12 ILE A 62 11.252 17.644 -8.901 1.00 23.44 H new ATOM 0 HG13 ILE A 62 10.452 16.414 -7.942 1.00 23.44 H new ATOM 0 HG21 ILE A 62 12.269 14.134 -8.015 1.00 15.35 H new ATOM 0 HG22 ILE A 62 12.920 13.839 -9.645 1.00 15.35 H new ATOM 0 HG23 ILE A 62 13.647 15.091 -8.610 1.00 15.35 H new ATOM 0 HD11 ILE A 62 12.138 17.597 -6.621 1.00 41.33 H new ATOM 0 HD12 ILE A 62 12.586 15.886 -6.816 1.00 41.33 H new ATOM 0 HD13 ILE A 62 13.398 17.135 -7.790 1.00 41.33 H new ATOM 950 N CYS A 63 13.260 18.543 -10.455 1.00 73.31 N ATOM 951 CA CYS A 63 14.246 19.548 -10.075 1.00 63.33 C ATOM 952 C CYS A 63 15.637 19.155 -10.562 1.00 44.33 C ATOM 953 O CYS A 63 16.623 19.300 -9.840 1.00 51.44 O ATOM 954 CB CYS A 63 14.258 19.733 -8.557 1.00 53.02 C ATOM 955 SG CYS A 63 14.688 21.405 -8.021 1.00 5.21 S ATOM 0 H CYS A 63 12.409 18.923 -10.870 1.00 73.31 H new ATOM 0 HA CYS A 63 13.968 20.491 -10.546 1.00 63.33 H new ATOM 0 HB2 CYS A 63 13.274 19.478 -8.163 1.00 53.02 H new ATOM 0 HB3 CYS A 63 14.968 19.030 -8.122 1.00 53.02 H new ATOM 0 HG CYS A 63 14.669 21.463 -6.722 1.00 5.21 H new ATOM 961 N GLY A 64 15.709 18.655 -11.792 1.00 41.44 N ATOM 962 CA GLY A 64 16.983 18.248 -12.354 1.00 65.33 C ATOM 963 C GLY A 64 17.510 16.970 -11.731 1.00 1.43 C ATOM 964 O GLY A 64 18.720 16.791 -11.595 1.00 3.02 O ATOM 0 H GLY A 64 14.907 18.525 -12.409 1.00 41.44 H new ATOM 0 HA2 GLY A 64 16.874 18.106 -13.429 1.00 65.33 H new ATOM 0 HA3 GLY A 64 17.712 19.046 -12.210 1.00 65.33 H new ATOM 968 N SER A 65 16.599 16.081 -11.349 1.00 23.12 N ATOM 969 CA SER A 65 16.979 14.816 -10.731 1.00 35.33 C ATOM 970 C SER A 65 16.334 13.640 -11.460 1.00 5.43 C ATOM 971 O SER A 65 15.162 13.331 -11.247 1.00 21.23 O ATOM 972 CB SER A 65 16.570 14.802 -9.256 1.00 64.43 C ATOM 973 OG SER A 65 16.753 16.076 -8.664 1.00 41.03 O ATOM 0 H SER A 65 15.593 16.213 -11.456 1.00 23.12 H new ATOM 0 HA SER A 65 18.062 14.716 -10.802 1.00 35.33 H new ATOM 0 HB2 SER A 65 15.525 14.503 -9.168 1.00 64.43 H new ATOM 0 HB3 SER A 65 17.160 14.060 -8.719 1.00 64.43 H new ATOM 0 HG SER A 65 16.012 16.664 -8.919 1.00 41.03 H new ATOM 979 N ARG A 66 17.110 12.990 -12.321 1.00 30.43 N ATOM 980 CA ARG A 66 16.616 11.849 -13.083 1.00 1.12 C ATOM 981 C ARG A 66 16.797 10.552 -12.300 1.00 5.24 C ATOM 982 O ARG A 66 17.309 9.563 -12.825 1.00 40.52 O ATOM 983 CB ARG A 66 17.343 11.752 -14.425 1.00 51.54 C ATOM 984 CG ARG A 66 18.838 11.513 -14.293 1.00 1.22 C ATOM 985 CD ARG A 66 19.640 12.613 -14.970 1.00 45.11 C ATOM 986 NE ARG A 66 21.054 12.267 -15.087 1.00 24.43 N ATOM 987 CZ ARG A 66 21.886 12.852 -15.941 1.00 25.31 C ATOM 988 NH1 ARG A 66 21.449 13.807 -16.749 1.00 14.42 N ATOM 989 NH2 ARG A 66 23.160 12.481 -15.988 1.00 12.41 N ATOM 0 H ARG A 66 18.083 13.234 -12.508 1.00 30.43 H new ATOM 0 HA ARG A 66 15.552 11.999 -13.264 1.00 1.12 H new ATOM 0 HB2 ARG A 66 16.904 10.942 -15.008 1.00 51.54 H new ATOM 0 HB3 ARG A 66 17.179 12.673 -14.985 1.00 51.54 H new ATOM 0 HG2 ARG A 66 19.108 11.461 -13.238 1.00 1.22 H new ATOM 0 HG3 ARG A 66 19.094 10.550 -14.735 1.00 1.22 H new ATOM 0 HD2 ARG A 66 19.230 12.802 -15.962 1.00 45.11 H new ATOM 0 HD3 ARG A 66 19.539 13.538 -14.402 1.00 45.11 H new ATOM 0 HE ARG A 66 21.423 11.536 -14.479 1.00 24.43 H new ATOM 0 HH11 ARG A 66 20.471 14.095 -16.716 1.00 14.42 H new ATOM 0 HH12 ARG A 66 22.091 14.254 -17.404 1.00 14.42 H new ATOM 0 HH21 ARG A 66 23.500 11.746 -15.368 1.00 12.41 H new ATOM 0 HH22 ARG A 66 23.798 12.931 -16.644 1.00 12.41 H new ATOM 1003 N VAL A 67 16.375 10.564 -11.039 1.00 50.02 N ATOM 1004 CA VAL A 67 16.490 9.389 -10.183 1.00 40.34 C ATOM 1005 C VAL A 67 15.686 8.221 -10.743 1.00 22.12 C ATOM 1006 O VAL A 67 15.020 8.348 -11.770 1.00 14.20 O ATOM 1007 CB VAL A 67 16.010 9.689 -8.751 1.00 11.31 C ATOM 1008 CG1 VAL A 67 17.015 10.569 -8.024 1.00 2.50 C ATOM 1009 CG2 VAL A 67 14.636 10.343 -8.776 1.00 25.12 C ATOM 0 H VAL A 67 15.951 11.374 -10.588 1.00 50.02 H new ATOM 0 HA VAL A 67 17.546 9.119 -10.155 1.00 40.34 H new ATOM 0 HB VAL A 67 15.929 8.747 -8.209 1.00 11.31 H new ATOM 0 HG11 VAL A 67 16.659 10.770 -7.014 1.00 2.50 H new ATOM 0 HG12 VAL A 67 17.977 10.058 -7.974 1.00 2.50 H new ATOM 0 HG13 VAL A 67 17.131 11.510 -8.562 1.00 2.50 H new ATOM 0 HG21 VAL A 67 14.312 10.548 -7.756 1.00 25.12 H new ATOM 0 HG22 VAL A 67 14.688 11.277 -9.335 1.00 25.12 H new ATOM 0 HG23 VAL A 67 13.923 9.673 -9.255 1.00 25.12 H new ATOM 1019 N ARG A 68 15.754 7.083 -10.060 1.00 74.30 N ATOM 1020 CA ARG A 68 15.032 5.891 -10.489 1.00 64.51 C ATOM 1021 C ARG A 68 13.863 5.596 -9.554 1.00 5.04 C ATOM 1022 O ARG A 68 14.054 5.113 -8.437 1.00 43.14 O ATOM 1023 CB ARG A 68 15.976 4.688 -10.538 1.00 22.52 C ATOM 1024 CG ARG A 68 15.390 3.482 -11.254 1.00 33.23 C ATOM 1025 CD ARG A 68 15.422 3.660 -12.764 1.00 11.45 C ATOM 1026 NE ARG A 68 14.282 3.020 -13.415 1.00 2.32 N ATOM 1027 CZ ARG A 68 14.243 2.732 -14.711 1.00 50.40 C ATOM 1028 NH1 ARG A 68 15.275 3.026 -15.490 1.00 72.32 N ATOM 1029 NH2 ARG A 68 13.170 2.149 -15.230 1.00 41.32 N ATOM 0 H ARG A 68 16.301 6.961 -9.208 1.00 74.30 H new ATOM 0 HA ARG A 68 14.637 6.076 -11.488 1.00 64.51 H new ATOM 0 HB2 ARG A 68 16.900 4.982 -11.036 1.00 22.52 H new ATOM 0 HB3 ARG A 68 16.240 4.402 -9.520 1.00 22.52 H new ATOM 0 HG2 ARG A 68 15.950 2.588 -10.980 1.00 33.23 H new ATOM 0 HG3 ARG A 68 14.362 3.327 -10.927 1.00 33.23 H new ATOM 0 HD2 ARG A 68 15.426 4.723 -13.004 1.00 11.45 H new ATOM 0 HD3 ARG A 68 16.347 3.241 -13.159 1.00 11.45 H new ATOM 0 HE ARG A 68 13.472 2.781 -12.843 1.00 2.32 H new ATOM 0 HH11 ARG A 68 16.101 3.474 -15.094 1.00 72.32 H new ATOM 0 HH12 ARG A 68 15.243 2.804 -16.485 1.00 72.32 H new ATOM 0 HH21 ARG A 68 12.374 1.922 -14.634 1.00 41.32 H new ATOM 0 HH22 ARG A 68 13.141 1.928 -16.225 1.00 41.32 H new ATOM 1043 N VAL A 69 12.653 5.891 -10.017 1.00 32.13 N ATOM 1044 CA VAL A 69 11.453 5.657 -9.222 1.00 53.52 C ATOM 1045 C VAL A 69 10.617 4.525 -9.808 1.00 63.14 C ATOM 1046 O VAL A 69 10.327 4.510 -11.004 1.00 61.30 O ATOM 1047 CB VAL A 69 10.585 6.927 -9.131 1.00 33.55 C ATOM 1048 CG1 VAL A 69 9.526 6.772 -8.050 1.00 13.44 C ATOM 1049 CG2 VAL A 69 11.453 8.148 -8.867 1.00 60.45 C ATOM 0 H VAL A 69 12.477 6.292 -10.938 1.00 32.13 H new ATOM 0 HA VAL A 69 11.785 5.379 -8.222 1.00 53.52 H new ATOM 0 HB VAL A 69 10.079 7.070 -10.086 1.00 33.55 H new ATOM 0 HG11 VAL A 69 8.922 7.678 -8.000 1.00 13.44 H new ATOM 0 HG12 VAL A 69 8.886 5.922 -8.287 1.00 13.44 H new ATOM 0 HG13 VAL A 69 10.010 6.605 -7.088 1.00 13.44 H new ATOM 0 HG21 VAL A 69 10.823 9.036 -8.806 1.00 60.45 H new ATOM 0 HG22 VAL A 69 11.988 8.017 -7.927 1.00 60.45 H new ATOM 0 HG23 VAL A 69 12.170 8.267 -9.679 1.00 60.45 H new ATOM 1059 N GLU A 70 10.234 3.578 -8.957 1.00 55.35 N ATOM 1060 CA GLU A 70 9.431 2.441 -9.392 1.00 62.02 C ATOM 1061 C GLU A 70 8.705 1.804 -8.211 1.00 23.13 C ATOM 1062 O GLU A 70 9.056 2.037 -7.053 1.00 52.01 O ATOM 1063 CB GLU A 70 10.314 1.400 -10.084 1.00 1.21 C ATOM 1064 CG GLU A 70 9.771 0.935 -11.425 1.00 12.44 C ATOM 1065 CD GLU A 70 9.710 -0.576 -11.537 1.00 55.51 C ATOM 1066 OE1 GLU A 70 10.775 -1.202 -11.713 1.00 5.32 O ATOM 1067 OE2 GLU A 70 8.595 -1.132 -11.449 1.00 53.42 O ATOM 0 H GLU A 70 10.466 3.576 -7.964 1.00 55.35 H new ATOM 0 HA GLU A 70 8.687 2.804 -10.100 1.00 62.02 H new ATOM 0 HB2 GLU A 70 11.309 1.820 -10.230 1.00 1.21 H new ATOM 0 HB3 GLU A 70 10.426 0.537 -9.428 1.00 1.21 H new ATOM 0 HG2 GLU A 70 8.773 1.347 -11.571 1.00 12.44 H new ATOM 0 HG3 GLU A 70 10.399 1.330 -12.224 1.00 12.44 H new ATOM 1074 N LEU A 71 7.692 0.999 -8.511 1.00 11.21 N ATOM 1075 CA LEU A 71 6.915 0.328 -7.475 1.00 21.14 C ATOM 1076 C LEU A 71 7.104 -1.184 -7.546 1.00 1.03 C ATOM 1077 O LEU A 71 6.826 -1.807 -8.570 1.00 41.14 O ATOM 1078 CB LEU A 71 5.432 0.675 -7.616 1.00 0.11 C ATOM 1079 CG LEU A 71 4.976 1.119 -9.006 1.00 42.51 C ATOM 1080 CD1 LEU A 71 5.070 -0.034 -9.993 1.00 34.14 C ATOM 1081 CD2 LEU A 71 3.556 1.665 -8.953 1.00 24.50 C ATOM 0 H LEU A 71 7.389 0.795 -9.463 1.00 11.21 H new ATOM 0 HA LEU A 71 7.272 0.675 -6.506 1.00 21.14 H new ATOM 0 HB2 LEU A 71 4.846 -0.197 -7.325 1.00 0.11 H new ATOM 0 HB3 LEU A 71 5.196 1.469 -6.907 1.00 0.11 H new ATOM 0 HG LEU A 71 5.637 1.916 -9.347 1.00 42.51 H new ATOM 0 HD11 LEU A 71 4.741 0.301 -10.977 1.00 34.14 H new ATOM 0 HD12 LEU A 71 6.103 -0.378 -10.053 1.00 34.14 H new ATOM 0 HD13 LEU A 71 4.434 -0.853 -9.658 1.00 34.14 H new ATOM 0 HD21 LEU A 71 3.248 1.976 -9.951 1.00 24.50 H new ATOM 0 HD22 LEU A 71 2.881 0.889 -8.591 1.00 24.50 H new ATOM 0 HD23 LEU A 71 3.520 2.521 -8.279 1.00 24.50 H new ATOM 1093 N SER A 72 7.577 -1.768 -6.449 1.00 72.34 N ATOM 1094 CA SER A 72 7.805 -3.207 -6.388 1.00 35.33 C ATOM 1095 C SER A 72 6.484 -3.962 -6.268 1.00 12.40 C ATOM 1096 O SER A 72 6.380 -5.124 -6.662 1.00 4.04 O ATOM 1097 CB SER A 72 8.711 -3.551 -5.204 1.00 35.40 C ATOM 1098 OG SER A 72 8.772 -4.952 -4.999 1.00 33.31 O ATOM 0 H SER A 72 7.809 -1.267 -5.591 1.00 72.34 H new ATOM 0 HA SER A 72 8.295 -3.512 -7.313 1.00 35.33 H new ATOM 0 HB2 SER A 72 9.713 -3.163 -5.384 1.00 35.40 H new ATOM 0 HB3 SER A 72 8.338 -3.064 -4.303 1.00 35.40 H new ATOM 0 HG SER A 72 9.358 -5.146 -4.238 1.00 33.31 H new