USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=8 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 : amide:sc= -0.144 X(o=-0.14,f=-0.14) 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= -0.635 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0702 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc=-0.00131 USER MOD Single : A 65 SER OG : rot 88:sc= -2.46! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 3.659 -0.279 -2.145 1.00 4.43 N ATOM 19 CA LYS A 2 5.086 -0.048 -1.950 1.00 12.24 C ATOM 20 C LYS A 2 5.691 0.665 -3.154 1.00 44.34 C ATOM 21 O LYS A 2 5.293 0.427 -4.295 1.00 31.45 O ATOM 22 CB LYS A 2 5.810 -1.375 -1.712 1.00 3.43 C ATOM 23 CG LYS A 2 5.452 -2.035 -0.391 1.00 44.24 C ATOM 24 CD LYS A 2 4.451 -3.161 -0.585 1.00 31.05 C ATOM 25 CE LYS A 2 3.720 -3.485 0.709 1.00 13.44 C ATOM 26 NZ LYS A 2 3.964 -4.886 1.149 1.00 25.12 N ATOM 0 HA LYS A 2 5.210 0.588 -1.074 1.00 12.24 H new ATOM 0 HB2 LYS A 2 5.573 -2.060 -2.526 1.00 3.43 H new ATOM 0 HB3 LYS A 2 6.886 -1.203 -1.743 1.00 3.43 H new ATOM 0 HG2 LYS A 2 6.355 -2.426 0.078 1.00 44.24 H new ATOM 0 HG3 LYS A 2 5.037 -1.290 0.288 1.00 44.24 H new ATOM 0 HD2 LYS A 2 3.729 -2.880 -1.352 1.00 31.05 H new ATOM 0 HD3 LYS A 2 4.968 -4.051 -0.945 1.00 31.05 H new ATOM 0 HE2 LYS A 2 4.044 -2.798 1.491 1.00 13.44 H new ATOM 0 HE3 LYS A 2 2.650 -3.329 0.570 1.00 13.44 H new ATOM 0 HZ1 LYS A 2 3.448 -5.067 2.034 1.00 25.12 H new ATOM 0 HZ2 LYS A 2 3.632 -5.543 0.415 1.00 25.12 H new ATOM 0 HZ3 LYS A 2 4.982 -5.028 1.306 1.00 25.12 H new ATOM 40 N VAL A 3 6.657 1.541 -2.894 1.00 65.45 N ATOM 41 CA VAL A 3 7.320 2.286 -3.958 1.00 11.31 C ATOM 42 C VAL A 3 8.835 2.254 -3.790 1.00 71.24 C ATOM 43 O VAL A 3 9.345 2.217 -2.671 1.00 25.34 O ATOM 44 CB VAL A 3 6.849 3.753 -3.992 1.00 65.52 C ATOM 45 CG1 VAL A 3 7.166 4.384 -5.339 1.00 62.34 C ATOM 46 CG2 VAL A 3 5.361 3.841 -3.689 1.00 44.42 C ATOM 0 H VAL A 3 6.998 1.752 -1.956 1.00 65.45 H new ATOM 0 HA VAL A 3 7.052 1.803 -4.898 1.00 11.31 H new ATOM 0 HB VAL A 3 7.386 4.308 -3.223 1.00 65.52 H new ATOM 0 HG11 VAL A 3 6.826 5.420 -5.345 1.00 62.34 H new ATOM 0 HG12 VAL A 3 8.242 4.354 -5.511 1.00 62.34 H new ATOM 0 HG13 VAL A 3 6.657 3.831 -6.129 1.00 62.34 H new ATOM 0 HG21 VAL A 3 5.045 4.884 -3.717 1.00 44.42 H new ATOM 0 HG22 VAL A 3 4.804 3.273 -4.434 1.00 44.42 H new ATOM 0 HG23 VAL A 3 5.166 3.429 -2.699 1.00 44.42 H new ATOM 56 N TYR A 4 9.549 2.269 -4.911 1.00 34.45 N ATOM 57 CA TYR A 4 11.006 2.239 -4.888 1.00 62.15 C ATOM 58 C TYR A 4 11.587 3.335 -5.777 1.00 30.21 C ATOM 59 O TYR A 4 11.358 3.357 -6.986 1.00 73.43 O ATOM 60 CB TYR A 4 11.516 0.872 -5.347 1.00 24.43 C ATOM 61 CG TYR A 4 12.688 0.951 -6.299 1.00 70.42 C ATOM 62 CD1 TYR A 4 13.978 1.166 -5.829 1.00 74.34 C ATOM 63 CD2 TYR A 4 12.505 0.809 -7.669 1.00 41.04 C ATOM 64 CE1 TYR A 4 15.051 1.239 -6.696 1.00 54.33 C ATOM 65 CE2 TYR A 4 13.572 0.880 -8.544 1.00 25.34 C ATOM 66 CZ TYR A 4 14.843 1.096 -8.052 1.00 61.53 C ATOM 67 OH TYR A 4 15.910 1.167 -8.919 1.00 34.21 O ATOM 0 H TYR A 4 9.142 2.302 -5.846 1.00 34.45 H new ATOM 0 HA TYR A 4 11.332 2.416 -3.863 1.00 62.15 H new ATOM 0 HB2 TYR A 4 11.808 0.290 -4.473 1.00 24.43 H new ATOM 0 HB3 TYR A 4 10.701 0.333 -5.831 1.00 24.43 H new ATOM 0 HD1 TYR A 4 14.145 1.278 -4.768 1.00 74.34 H new ATOM 0 HD2 TYR A 4 11.511 0.640 -8.057 1.00 41.04 H new ATOM 0 HE1 TYR A 4 16.047 1.407 -6.314 1.00 54.33 H new ATOM 0 HE2 TYR A 4 13.412 0.767 -9.606 1.00 25.34 H new ATOM 0 HH TYR A 4 15.593 1.045 -9.838 1.00 34.21 H new ATOM 77 N VAL A 5 12.341 4.244 -5.167 1.00 65.24 N ATOM 78 CA VAL A 5 12.958 5.342 -5.902 1.00 13.54 C ATOM 79 C VAL A 5 14.479 5.271 -5.824 1.00 35.32 C ATOM 80 O VAL A 5 15.075 5.613 -4.804 1.00 44.41 O ATOM 81 CB VAL A 5 12.491 6.708 -5.364 1.00 0.31 C ATOM 82 CG1 VAL A 5 11.059 6.990 -5.792 1.00 33.33 C ATOM 83 CG2 VAL A 5 12.623 6.757 -3.849 1.00 41.52 C ATOM 0 H VAL A 5 12.539 4.242 -4.166 1.00 65.24 H new ATOM 0 HA VAL A 5 12.646 5.242 -6.942 1.00 13.54 H new ATOM 0 HB VAL A 5 13.130 7.483 -5.787 1.00 0.31 H new ATOM 0 HG11 VAL A 5 10.747 7.959 -5.403 1.00 33.33 H new ATOM 0 HG12 VAL A 5 11.000 7.000 -6.880 1.00 33.33 H new ATOM 0 HG13 VAL A 5 10.402 6.213 -5.400 1.00 33.33 H new ATOM 0 HG21 VAL A 5 12.289 7.729 -3.486 1.00 41.52 H new ATOM 0 HG22 VAL A 5 12.010 5.973 -3.405 1.00 41.52 H new ATOM 0 HG23 VAL A 5 13.665 6.604 -3.569 1.00 41.52 H new ATOM 93 N GLY A 6 15.101 4.823 -6.910 1.00 71.31 N ATOM 94 CA GLY A 6 16.548 4.714 -6.945 1.00 14.34 C ATOM 95 C GLY A 6 17.186 5.761 -7.836 1.00 4.14 C ATOM 96 O GLY A 6 16.527 6.707 -8.264 1.00 1.35 O ATOM 0 H GLY A 6 14.629 4.533 -7.766 1.00 71.31 H new ATOM 0 HA2 GLY A 6 16.941 4.813 -5.933 1.00 14.34 H new ATOM 0 HA3 GLY A 6 16.826 3.721 -7.299 1.00 14.34 H new ATOM 100 N ASN A 7 18.475 5.592 -8.114 1.00 51.14 N ATOM 101 CA ASN A 7 19.204 6.532 -8.959 1.00 31.34 C ATOM 102 C ASN A 7 19.243 7.918 -8.322 1.00 22.42 C ATOM 103 O ASN A 7 18.618 8.857 -8.815 1.00 14.44 O ATOM 104 CB ASN A 7 18.558 6.613 -10.343 1.00 60.42 C ATOM 105 CG ASN A 7 19.160 5.622 -11.321 1.00 21.32 C ATOM 106 OD1 ASN A 7 19.818 6.008 -12.287 1.00 60.20 O ATOM 107 ND2 ASN A 7 18.937 4.336 -11.073 1.00 54.41 N ATOM 0 H ASN A 7 19.036 4.814 -7.767 1.00 51.14 H new ATOM 0 HA ASN A 7 20.227 6.170 -9.064 1.00 31.34 H new ATOM 0 HB2 ASN A 7 17.488 6.426 -10.253 1.00 60.42 H new ATOM 0 HB3 ASN A 7 18.673 7.623 -10.736 1.00 60.42 H new ATOM 0 HD21 ASN A 7 19.317 3.623 -11.696 1.00 54.41 H new ATOM 0 HD22 ASN A 7 18.386 4.062 -10.260 1.00 54.41 H new ATOM 114 N LEU A 8 19.982 8.038 -7.225 1.00 23.44 N ATOM 115 CA LEU A 8 20.105 9.309 -6.520 1.00 34.03 C ATOM 116 C LEU A 8 21.563 9.749 -6.439 1.00 51.15 C ATOM 117 O LEU A 8 22.348 9.196 -5.670 1.00 75.34 O ATOM 118 CB LEU A 8 19.517 9.193 -5.112 1.00 71.22 C ATOM 119 CG LEU A 8 18.130 8.556 -5.014 1.00 62.13 C ATOM 120 CD1 LEU A 8 18.218 7.184 -4.363 1.00 15.51 C ATOM 121 CD2 LEU A 8 17.183 9.458 -4.237 1.00 54.13 C ATOM 0 H LEU A 8 20.505 7.270 -6.804 1.00 23.44 H new ATOM 0 HA LEU A 8 19.548 10.061 -7.079 1.00 34.03 H new ATOM 0 HB2 LEU A 8 20.206 8.612 -4.499 1.00 71.22 H new ATOM 0 HB3 LEU A 8 19.468 10.191 -4.677 1.00 71.22 H new ATOM 0 HG LEU A 8 17.735 8.432 -6.022 1.00 62.13 H new ATOM 0 HD11 LEU A 8 17.222 6.746 -4.302 1.00 15.51 H new ATOM 0 HD12 LEU A 8 18.862 6.539 -4.960 1.00 15.51 H new ATOM 0 HD13 LEU A 8 18.633 7.283 -3.360 1.00 15.51 H new ATOM 0 HD21 LEU A 8 16.201 8.989 -4.177 1.00 54.13 H new ATOM 0 HD22 LEU A 8 17.573 9.614 -3.231 1.00 54.13 H new ATOM 0 HD23 LEU A 8 17.096 10.418 -4.745 1.00 54.13 H new ATOM 161 N ALA A 12 19.346 15.138 -5.939 1.00 42.32 N ATOM 162 CA ALA A 12 18.002 14.612 -5.738 1.00 53.41 C ATOM 163 C ALA A 12 18.008 13.456 -4.745 1.00 34.53 C ATOM 164 O ALA A 12 18.425 12.346 -5.072 1.00 71.51 O ATOM 165 CB ALA A 12 17.405 14.168 -7.065 1.00 71.03 C ATOM 0 HA ALA A 12 17.385 15.409 -5.323 1.00 53.41 H new ATOM 0 HB1 ALA A 12 16.401 13.777 -6.900 1.00 71.03 H new ATOM 0 HB2 ALA A 12 17.356 15.019 -7.745 1.00 71.03 H new ATOM 0 HB3 ALA A 12 18.030 13.389 -7.503 1.00 71.03 H new ATOM 171 N GLY A 13 17.542 13.723 -3.528 1.00 41.43 N ATOM 172 CA GLY A 13 17.504 12.695 -2.506 1.00 33.45 C ATOM 173 C GLY A 13 16.174 12.648 -1.780 1.00 75.52 C ATOM 174 O GLY A 13 15.117 12.574 -2.408 1.00 41.44 O ATOM 0 H GLY A 13 17.190 14.634 -3.233 1.00 41.43 H new ATOM 0 HA2 GLY A 13 17.699 11.725 -2.963 1.00 33.45 H new ATOM 0 HA3 GLY A 13 18.302 12.874 -1.785 1.00 33.45 H new ATOM 178 N LYS A 14 16.223 12.688 -0.453 1.00 64.31 N ATOM 179 CA LYS A 14 15.014 12.649 0.360 1.00 33.20 C ATOM 180 C LYS A 14 14.115 13.843 0.056 1.00 3.53 C ATOM 181 O LYS A 14 12.908 13.694 -0.128 1.00 62.32 O ATOM 182 CB LYS A 14 15.374 12.634 1.847 1.00 24.42 C ATOM 183 CG LYS A 14 14.429 11.799 2.694 1.00 60.12 C ATOM 184 CD LYS A 14 14.987 11.566 4.088 1.00 62.13 C ATOM 185 CE LYS A 14 14.235 10.460 4.812 1.00 71.24 C ATOM 186 NZ LYS A 14 14.975 9.978 6.010 1.00 24.14 N ATOM 0 H LYS A 14 17.089 12.748 0.083 1.00 64.31 H new ATOM 0 HA LYS A 14 14.471 11.736 0.115 1.00 33.20 H new ATOM 0 HB2 LYS A 14 16.388 12.250 1.963 1.00 24.42 H new ATOM 0 HB3 LYS A 14 15.376 13.657 2.222 1.00 24.42 H new ATOM 0 HG2 LYS A 14 13.464 12.301 2.767 1.00 60.12 H new ATOM 0 HG3 LYS A 14 14.253 10.840 2.207 1.00 60.12 H new ATOM 0 HD2 LYS A 14 16.043 11.305 4.019 1.00 62.13 H new ATOM 0 HD3 LYS A 14 14.924 12.488 4.665 1.00 62.13 H new ATOM 0 HE2 LYS A 14 13.254 10.826 5.114 1.00 71.24 H new ATOM 0 HE3 LYS A 14 14.068 9.627 4.129 1.00 71.24 H new ATOM 0 HZ1 LYS A 14 14.429 9.225 6.475 1.00 24.14 H new ATOM 0 HZ2 LYS A 14 15.901 9.605 5.719 1.00 24.14 H new ATOM 0 HZ3 LYS A 14 15.112 10.767 6.674 1.00 24.14 H new ATOM 200 N GLY A 15 14.713 15.030 0.004 1.00 1.13 N ATOM 201 CA GLY A 15 13.952 16.233 -0.279 1.00 33.41 C ATOM 202 C GLY A 15 13.269 16.182 -1.631 1.00 61.54 C ATOM 203 O GLY A 15 12.117 16.591 -1.767 1.00 73.23 O ATOM 0 H GLY A 15 15.711 15.180 0.153 1.00 1.13 H new ATOM 0 HA2 GLY A 15 13.202 16.376 0.499 1.00 33.41 H new ATOM 0 HA3 GLY A 15 14.616 17.096 -0.243 1.00 33.41 H new ATOM 207 N GLU A 16 13.983 15.679 -2.634 1.00 53.02 N ATOM 208 CA GLU A 16 13.438 15.579 -3.983 1.00 62.02 C ATOM 209 C GLU A 16 12.251 14.621 -4.021 1.00 13.30 C ATOM 210 O GLU A 16 11.146 14.999 -4.413 1.00 12.43 O ATOM 211 CB GLU A 16 14.518 15.108 -4.959 1.00 44.24 C ATOM 212 CG GLU A 16 13.982 14.752 -6.336 1.00 14.05 C ATOM 213 CD GLU A 16 14.074 13.268 -6.631 1.00 74.34 C ATOM 214 OE1 GLU A 16 15.076 12.642 -6.227 1.00 12.44 O ATOM 215 OE2 GLU A 16 13.142 12.731 -7.268 1.00 4.50 O ATOM 0 H GLU A 16 14.938 15.335 -2.538 1.00 53.02 H new ATOM 0 HA GLU A 16 13.094 16.569 -4.282 1.00 62.02 H new ATOM 0 HB2 GLU A 16 15.269 15.891 -5.062 1.00 44.24 H new ATOM 0 HB3 GLU A 16 15.021 14.237 -4.538 1.00 44.24 H new ATOM 0 HG2 GLU A 16 12.942 15.070 -6.410 1.00 14.05 H new ATOM 0 HG3 GLU A 16 14.539 15.304 -7.093 1.00 14.05 H new ATOM 222 N LEU A 17 12.487 13.380 -3.612 1.00 34.31 N ATOM 223 CA LEU A 17 11.437 12.366 -3.599 1.00 4.11 C ATOM 224 C LEU A 17 10.295 12.777 -2.675 1.00 62.40 C ATOM 225 O LEU A 17 9.142 12.412 -2.900 1.00 14.32 O ATOM 226 CB LEU A 17 12.009 11.018 -3.155 1.00 15.31 C ATOM 227 CG LEU A 17 12.010 10.753 -1.649 1.00 3.41 C ATOM 228 CD1 LEU A 17 10.702 10.108 -1.219 1.00 21.00 C ATOM 229 CD2 LEU A 17 13.192 9.876 -1.263 1.00 62.01 C ATOM 0 H LEU A 17 13.395 13.051 -3.285 1.00 34.31 H new ATOM 0 HA LEU A 17 11.044 12.271 -4.611 1.00 4.11 H new ATOM 0 HB2 LEU A 17 11.440 10.226 -3.643 1.00 15.31 H new ATOM 0 HB3 LEU A 17 13.034 10.944 -3.517 1.00 15.31 H new ATOM 0 HG LEU A 17 12.107 11.707 -1.132 1.00 3.41 H new ATOM 0 HD11 LEU A 17 10.722 9.927 -0.144 1.00 21.00 H new ATOM 0 HD12 LEU A 17 9.872 10.772 -1.460 1.00 21.00 H new ATOM 0 HD13 LEU A 17 10.573 9.161 -1.744 1.00 21.00 H new ATOM 0 HD21 LEU A 17 13.177 9.698 -0.188 1.00 62.01 H new ATOM 0 HD22 LEU A 17 13.126 8.924 -1.790 1.00 62.01 H new ATOM 0 HD23 LEU A 17 14.121 10.377 -1.535 1.00 62.01 H new ATOM 241 N GLU A 18 10.625 13.538 -1.637 1.00 2.43 N ATOM 242 CA GLU A 18 9.626 13.999 -0.680 1.00 51.31 C ATOM 243 C GLU A 18 8.673 15.000 -1.328 1.00 61.30 C ATOM 244 O GLU A 18 7.457 14.808 -1.322 1.00 10.54 O ATOM 245 CB GLU A 18 10.305 14.638 0.533 1.00 24.42 C ATOM 246 CG GLU A 18 9.333 15.281 1.507 1.00 34.23 C ATOM 247 CD GLU A 18 9.793 15.173 2.948 1.00 33.21 C ATOM 248 OE1 GLU A 18 10.999 15.374 3.202 1.00 70.14 O ATOM 249 OE2 GLU A 18 8.947 14.887 3.822 1.00 44.34 O ATOM 0 H GLU A 18 11.576 13.848 -1.437 1.00 2.43 H new ATOM 0 HA GLU A 18 9.050 13.134 -0.351 1.00 51.31 H new ATOM 0 HB2 GLU A 18 10.882 13.877 1.058 1.00 24.42 H new ATOM 0 HB3 GLU A 18 11.012 15.392 0.187 1.00 24.42 H new ATOM 0 HG2 GLU A 18 9.207 16.332 1.248 1.00 34.23 H new ATOM 0 HG3 GLU A 18 8.356 14.808 1.405 1.00 34.23 H new ATOM 256 N ARG A 19 9.235 16.067 -1.886 1.00 40.00 N ATOM 257 CA ARG A 19 8.436 17.099 -2.537 1.00 23.25 C ATOM 258 C ARG A 19 7.563 16.499 -3.634 1.00 73.42 C ATOM 259 O ARG A 19 6.383 16.829 -3.753 1.00 22.15 O ATOM 260 CB ARG A 19 9.344 18.180 -3.126 1.00 53.02 C ATOM 261 CG ARG A 19 10.286 18.805 -2.110 1.00 54.42 C ATOM 262 CD ARG A 19 9.711 20.090 -1.535 1.00 51.51 C ATOM 263 NE ARG A 19 9.474 21.095 -2.569 1.00 32.34 N ATOM 264 CZ ARG A 19 9.239 22.376 -2.308 1.00 44.03 C ATOM 265 NH1 ARG A 19 9.211 22.807 -1.055 1.00 24.13 N ATOM 266 NH2 ARG A 19 9.033 23.229 -3.303 1.00 51.41 N ATOM 0 H ARG A 19 10.240 16.240 -1.901 1.00 40.00 H new ATOM 0 HA ARG A 19 7.787 17.549 -1.786 1.00 23.25 H new ATOM 0 HB2 ARG A 19 9.932 17.747 -3.936 1.00 53.02 H new ATOM 0 HB3 ARG A 19 8.725 18.963 -3.565 1.00 53.02 H new ATOM 0 HG2 ARG A 19 10.475 18.097 -1.303 1.00 54.42 H new ATOM 0 HG3 ARG A 19 11.246 19.014 -2.582 1.00 54.42 H new ATOM 0 HD2 ARG A 19 8.775 19.870 -1.022 1.00 51.51 H new ATOM 0 HD3 ARG A 19 10.397 20.492 -0.789 1.00 51.51 H new ATOM 0 HE ARG A 19 9.490 20.797 -3.544 1.00 32.34 H new ATOM 0 HH11 ARG A 19 9.370 22.154 -0.287 1.00 24.13 H new ATOM 0 HH12 ARG A 19 9.030 23.791 -0.858 1.00 24.13 H new ATOM 0 HH21 ARG A 19 9.055 22.901 -4.269 1.00 51.41 H new ATOM 0 HH22 ARG A 19 8.853 24.213 -3.102 1.00 51.41 H new ATOM 280 N ALA A 20 8.151 15.616 -4.435 1.00 33.31 N ATOM 281 CA ALA A 20 7.426 14.969 -5.521 1.00 60.45 C ATOM 282 C ALA A 20 6.287 14.107 -4.986 1.00 3.43 C ATOM 283 O ALA A 20 5.114 14.388 -5.233 1.00 62.31 O ATOM 284 CB ALA A 20 8.376 14.128 -6.362 1.00 74.11 C ATOM 0 H ALA A 20 9.127 15.333 -4.352 1.00 33.31 H new ATOM 0 HA ALA A 20 6.993 15.747 -6.149 1.00 60.45 H new ATOM 0 HB1 ALA A 20 7.821 13.650 -7.170 1.00 74.11 H new ATOM 0 HB2 ALA A 20 9.152 14.767 -6.783 1.00 74.11 H new ATOM 0 HB3 ALA A 20 8.836 13.363 -5.736 1.00 74.11 H new ATOM 290 N PHE A 21 6.641 13.058 -4.251 1.00 75.22 N ATOM 291 CA PHE A 21 5.648 12.154 -3.682 1.00 14.33 C ATOM 292 C PHE A 21 4.580 12.932 -2.917 1.00 25.55 C ATOM 293 O PHE A 21 3.385 12.775 -3.165 1.00 61.41 O ATOM 294 CB PHE A 21 6.321 11.142 -2.753 1.00 64.00 C ATOM 295 CG PHE A 21 6.921 9.971 -3.477 1.00 62.23 C ATOM 296 CD1 PHE A 21 7.879 10.164 -4.460 1.00 22.44 C ATOM 297 CD2 PHE A 21 6.527 8.677 -3.176 1.00 5.15 C ATOM 298 CE1 PHE A 21 8.432 9.088 -5.128 1.00 60.40 C ATOM 299 CE2 PHE A 21 7.077 7.597 -3.840 1.00 42.14 C ATOM 300 CZ PHE A 21 8.031 7.803 -4.817 1.00 65.22 C ATOM 0 H PHE A 21 7.607 12.813 -4.035 1.00 75.22 H new ATOM 0 HA PHE A 21 5.167 11.620 -4.502 1.00 14.33 H new ATOM 0 HB2 PHE A 21 7.102 11.646 -2.184 1.00 64.00 H new ATOM 0 HB3 PHE A 21 5.588 10.777 -2.034 1.00 64.00 H new ATOM 0 HD1 PHE A 21 8.197 11.166 -4.707 1.00 22.44 H new ATOM 0 HD2 PHE A 21 5.781 8.510 -2.413 1.00 5.15 H new ATOM 0 HE1 PHE A 21 9.177 9.251 -5.893 1.00 60.40 H new ATOM 0 HE2 PHE A 21 6.761 6.594 -3.595 1.00 42.14 H new ATOM 0 HZ PHE A 21 8.463 6.961 -5.337 1.00 65.22 H new ATOM 310 N SER A 22 5.022 13.770 -1.984 1.00 72.22 N ATOM 311 CA SER A 22 4.105 14.569 -1.179 1.00 25.31 C ATOM 312 C SER A 22 3.141 15.349 -2.067 1.00 3.51 C ATOM 313 O SER A 22 1.933 15.362 -1.830 1.00 2.43 O ATOM 314 CB SER A 22 4.887 15.533 -0.284 1.00 60.33 C ATOM 315 OG SER A 22 4.014 16.413 0.402 1.00 40.44 O ATOM 0 H SER A 22 6.008 13.913 -1.767 1.00 72.22 H new ATOM 0 HA SER A 22 3.525 13.891 -0.552 1.00 25.31 H new ATOM 0 HB2 SER A 22 5.478 14.967 0.436 1.00 60.33 H new ATOM 0 HB3 SER A 22 5.587 16.109 -0.889 1.00 60.33 H new ATOM 0 HG SER A 22 4.538 17.018 0.968 1.00 40.44 H new ATOM 321 N TYR A 23 3.684 15.999 -3.090 1.00 43.33 N ATOM 322 CA TYR A 23 2.874 16.785 -4.013 1.00 50.03 C ATOM 323 C TYR A 23 1.795 15.923 -4.661 1.00 32.53 C ATOM 324 O TYR A 23 0.659 16.361 -4.842 1.00 12.43 O ATOM 325 CB TYR A 23 3.757 17.412 -5.093 1.00 41.42 C ATOM 326 CG TYR A 23 4.218 18.813 -4.760 1.00 52.52 C ATOM 327 CD1 TYR A 23 4.653 19.137 -3.481 1.00 44.33 C ATOM 328 CD2 TYR A 23 4.218 19.813 -5.725 1.00 43.32 C ATOM 329 CE1 TYR A 23 5.074 20.416 -3.173 1.00 4.33 C ATOM 330 CE2 TYR A 23 4.639 21.095 -5.426 1.00 30.31 C ATOM 331 CZ TYR A 23 5.066 21.391 -4.148 1.00 54.32 C ATOM 332 OH TYR A 23 5.486 22.666 -3.845 1.00 55.21 O ATOM 0 H TYR A 23 4.682 15.997 -3.301 1.00 43.33 H new ATOM 0 HA TYR A 23 2.388 17.578 -3.444 1.00 50.03 H new ATOM 0 HB2 TYR A 23 4.630 16.779 -5.249 1.00 41.42 H new ATOM 0 HB3 TYR A 23 3.206 17.434 -6.033 1.00 41.42 H new ATOM 0 HD1 TYR A 23 4.662 18.376 -2.715 1.00 44.33 H new ATOM 0 HD2 TYR A 23 3.883 19.584 -6.726 1.00 43.32 H new ATOM 0 HE1 TYR A 23 5.408 20.651 -2.173 1.00 4.33 H new ATOM 0 HE2 TYR A 23 4.634 21.860 -6.188 1.00 30.31 H new ATOM 0 HH TYR A 23 5.419 23.231 -4.643 1.00 55.21 H new ATOM 342 N TYR A 24 2.159 14.693 -5.007 1.00 34.21 N ATOM 343 CA TYR A 24 1.223 13.768 -5.636 1.00 24.42 C ATOM 344 C TYR A 24 0.201 13.256 -4.626 1.00 30.23 C ATOM 345 O TYR A 24 -0.981 13.116 -4.938 1.00 2.11 O ATOM 346 CB TYR A 24 1.978 12.590 -6.256 1.00 54.20 C ATOM 347 CG TYR A 24 2.474 12.860 -7.658 1.00 51.25 C ATOM 348 CD1 TYR A 24 3.399 13.867 -7.907 1.00 61.32 C ATOM 349 CD2 TYR A 24 2.017 12.110 -8.735 1.00 21.11 C ATOM 350 CE1 TYR A 24 3.855 14.118 -9.187 1.00 31.40 C ATOM 351 CE2 TYR A 24 2.469 12.353 -10.018 1.00 35.33 C ATOM 352 CZ TYR A 24 3.387 13.358 -10.239 1.00 21.43 C ATOM 353 OH TYR A 24 3.838 13.604 -11.515 1.00 61.43 O ATOM 0 H TYR A 24 3.095 14.314 -4.863 1.00 34.21 H new ATOM 0 HA TYR A 24 0.692 14.306 -6.422 1.00 24.42 H new ATOM 0 HB2 TYR A 24 2.828 12.339 -5.621 1.00 54.20 H new ATOM 0 HB3 TYR A 24 1.324 11.718 -6.273 1.00 54.20 H new ATOM 0 HD1 TYR A 24 3.768 14.464 -7.086 1.00 61.32 H new ATOM 0 HD2 TYR A 24 1.296 11.324 -8.566 1.00 21.11 H new ATOM 0 HE1 TYR A 24 4.574 14.905 -9.363 1.00 31.40 H new ATOM 0 HE2 TYR A 24 2.105 11.759 -10.843 1.00 35.33 H new ATOM 0 HH TYR A 24 4.753 13.953 -11.477 1.00 61.43 H new ATOM 363 N GLY A 25 0.666 12.978 -3.411 1.00 40.33 N ATOM 364 CA GLY A 25 -0.220 12.486 -2.373 1.00 24.44 C ATOM 365 C GLY A 25 0.458 12.414 -1.019 1.00 24.23 C ATOM 366 O GLY A 25 1.657 12.662 -0.887 1.00 21.21 O ATOM 0 H GLY A 25 1.640 13.085 -3.128 1.00 40.33 H new ATOM 0 HA2 GLY A 25 -1.092 13.137 -2.305 1.00 24.44 H new ATOM 0 HA3 GLY A 25 -0.582 11.495 -2.648 1.00 24.44 H new ATOM 370 N PRO A 26 -0.318 12.069 0.019 1.00 75.32 N ATOM 371 CA PRO A 26 0.193 11.958 1.388 1.00 12.33 C ATOM 372 C PRO A 26 1.126 10.765 1.564 1.00 1.31 C ATOM 373 O PRO A 26 0.717 9.615 1.402 1.00 21.23 O ATOM 374 CB PRO A 26 -1.075 11.774 2.226 1.00 22.43 C ATOM 375 CG PRO A 26 -2.067 11.179 1.287 1.00 43.30 C ATOM 376 CD PRO A 26 -1.756 11.759 -0.065 1.00 43.21 C ATOM 0 HA PRO A 26 0.787 12.827 1.673 1.00 12.33 H new ATOM 0 HB2 PRO A 26 -0.895 11.119 3.078 1.00 22.43 H new ATOM 0 HB3 PRO A 26 -1.428 12.725 2.624 1.00 22.43 H new ATOM 0 HG2 PRO A 26 -1.988 10.092 1.273 1.00 43.30 H new ATOM 0 HG3 PRO A 26 -3.086 11.421 1.591 1.00 43.30 H new ATOM 0 HD2 PRO A 26 -1.968 11.050 -0.865 1.00 43.21 H new ATOM 0 HD3 PRO A 26 -2.348 12.652 -0.265 1.00 43.21 H new ATOM 384 N LEU A 27 2.381 11.046 1.897 1.00 43.25 N ATOM 385 CA LEU A 27 3.374 9.995 2.095 1.00 15.42 C ATOM 386 C LEU A 27 3.166 9.297 3.435 1.00 73.50 C ATOM 387 O LEU A 27 3.003 9.947 4.467 1.00 15.41 O ATOM 388 CB LEU A 27 4.785 10.580 2.026 1.00 43.23 C ATOM 389 CG LEU A 27 5.409 10.665 0.632 1.00 54.50 C ATOM 390 CD1 LEU A 27 6.714 11.445 0.678 1.00 74.04 C ATOM 391 CD2 LEU A 27 5.637 9.272 0.064 1.00 51.43 C ATOM 0 H LEU A 27 2.735 11.992 2.036 1.00 43.25 H new ATOM 0 HA LEU A 27 3.253 9.260 1.300 1.00 15.42 H new ATOM 0 HB2 LEU A 27 4.763 11.582 2.454 1.00 43.23 H new ATOM 0 HB3 LEU A 27 5.438 9.978 2.658 1.00 43.23 H new ATOM 0 HG LEU A 27 4.717 11.194 -0.024 1.00 54.50 H new ATOM 0 HD11 LEU A 27 7.143 11.495 -0.323 1.00 74.04 H new ATOM 0 HD12 LEU A 27 6.522 12.455 1.041 1.00 74.04 H new ATOM 0 HD13 LEU A 27 7.413 10.945 1.348 1.00 74.04 H new ATOM 0 HD21 LEU A 27 6.081 9.352 -0.928 1.00 51.43 H new ATOM 0 HD22 LEU A 27 6.309 8.717 0.719 1.00 51.43 H new ATOM 0 HD23 LEU A 27 4.684 8.747 -0.006 1.00 51.43 H new ATOM 403 N ARG A 28 3.175 7.968 3.411 1.00 21.21 N ATOM 404 CA ARG A 28 2.989 7.181 4.624 1.00 73.51 C ATOM 405 C ARG A 28 4.311 6.998 5.362 1.00 25.13 C ATOM 406 O ARG A 28 4.415 7.288 6.555 1.00 44.24 O ATOM 407 CB ARG A 28 2.389 5.815 4.284 1.00 64.32 C ATOM 408 CG ARG A 28 2.228 4.903 5.489 1.00 25.12 C ATOM 409 CD ARG A 28 1.368 5.548 6.564 1.00 30.25 C ATOM 410 NE ARG A 28 2.124 5.810 7.786 1.00 11.12 N ATOM 411 CZ ARG A 28 2.498 4.861 8.637 1.00 14.02 C ATOM 412 NH1 ARG A 28 2.187 3.594 8.400 1.00 22.04 N ATOM 413 NH2 ARG A 28 3.184 5.179 9.728 1.00 74.43 N ATOM 0 H ARG A 28 3.309 7.414 2.565 1.00 21.21 H new ATOM 0 HA ARG A 28 2.301 7.721 5.275 1.00 73.51 H new ATOM 0 HB2 ARG A 28 1.415 5.962 3.817 1.00 64.32 H new ATOM 0 HB3 ARG A 28 3.024 5.322 3.548 1.00 64.32 H new ATOM 0 HG2 ARG A 28 1.776 3.961 5.176 1.00 25.12 H new ATOM 0 HG3 ARG A 28 3.209 4.665 5.900 1.00 25.12 H new ATOM 0 HD2 ARG A 28 0.956 6.483 6.185 1.00 30.25 H new ATOM 0 HD3 ARG A 28 0.524 4.897 6.792 1.00 30.25 H new ATOM 0 HE ARG A 28 2.379 6.775 7.998 1.00 11.12 H new ATOM 0 HH11 ARG A 28 1.660 3.346 7.563 1.00 22.04 H new ATOM 0 HH12 ARG A 28 2.475 2.867 9.055 1.00 22.04 H new ATOM 0 HH21 ARG A 28 3.424 6.153 9.914 1.00 74.43 H new ATOM 0 HH22 ARG A 28 3.471 4.450 10.381 1.00 74.43 H new ATOM 427 N THR A 29 5.322 6.514 4.646 1.00 55.22 N ATOM 428 CA THR A 29 6.637 6.291 5.232 1.00 11.14 C ATOM 429 C THR A 29 7.704 6.152 4.153 1.00 70.13 C ATOM 430 O THR A 29 7.679 5.211 3.359 1.00 45.20 O ATOM 431 CB THR A 29 6.651 5.030 6.117 1.00 12.44 C ATOM 432 OG1 THR A 29 5.642 4.113 5.679 1.00 3.13 O ATOM 433 CG2 THR A 29 6.416 5.391 7.577 1.00 41.15 C ATOM 0 H THR A 29 5.254 6.269 3.658 1.00 55.22 H new ATOM 0 HA THR A 29 6.860 7.162 5.849 1.00 11.14 H new ATOM 0 HB THR A 29 7.631 4.561 6.028 1.00 12.44 H new ATOM 0 HG1 THR A 29 5.658 3.313 6.245 1.00 3.13 H new ATOM 0 HG21 THR A 29 6.430 4.485 8.183 1.00 41.15 H new ATOM 0 HG22 THR A 29 7.202 6.066 7.916 1.00 41.15 H new ATOM 0 HG23 THR A 29 5.448 5.881 7.679 1.00 41.15 H new ATOM 441 N VAL A 30 8.641 7.094 4.129 1.00 43.25 N ATOM 442 CA VAL A 30 9.719 7.075 3.147 1.00 41.52 C ATOM 443 C VAL A 30 11.075 6.909 3.823 1.00 43.12 C ATOM 444 O VAL A 30 11.220 7.165 5.018 1.00 12.22 O ATOM 445 CB VAL A 30 9.733 8.364 2.304 1.00 53.34 C ATOM 446 CG1 VAL A 30 8.360 8.624 1.702 1.00 32.32 C ATOM 447 CG2 VAL A 30 10.187 9.547 3.146 1.00 71.21 C ATOM 0 H VAL A 30 8.676 7.880 4.778 1.00 43.25 H new ATOM 0 HA VAL A 30 9.536 6.223 2.492 1.00 41.52 H new ATOM 0 HB VAL A 30 10.443 8.235 1.487 1.00 53.34 H new ATOM 0 HG11 VAL A 30 8.390 9.539 1.110 1.00 32.32 H new ATOM 0 HG12 VAL A 30 8.079 7.787 1.063 1.00 32.32 H new ATOM 0 HG13 VAL A 30 7.627 8.733 2.501 1.00 32.32 H new ATOM 0 HG21 VAL A 30 10.191 10.449 2.534 1.00 71.21 H new ATOM 0 HG22 VAL A 30 9.504 9.680 3.985 1.00 71.21 H new ATOM 0 HG23 VAL A 30 11.192 9.360 3.523 1.00 71.21 H new ATOM 457 N TRP A 31 12.066 6.479 3.050 1.00 2.32 N ATOM 458 CA TRP A 31 13.412 6.279 3.575 1.00 44.14 C ATOM 459 C TRP A 31 14.408 6.046 2.444 1.00 41.23 C ATOM 460 O TRP A 31 14.117 5.327 1.487 1.00 5.22 O ATOM 461 CB TRP A 31 13.434 5.094 4.542 1.00 41.51 C ATOM 462 CG TRP A 31 13.001 3.805 3.912 1.00 11.30 C ATOM 463 CD1 TRP A 31 11.749 3.492 3.464 1.00 23.45 C ATOM 464 CD2 TRP A 31 13.818 2.657 3.662 1.00 62.40 C ATOM 465 NE1 TRP A 31 11.739 2.217 2.951 1.00 3.03 N ATOM 466 CE2 TRP A 31 12.996 1.684 3.060 1.00 63.21 C ATOM 467 CE3 TRP A 31 15.164 2.356 3.886 1.00 23.20 C ATOM 468 CZ2 TRP A 31 13.478 0.433 2.682 1.00 42.43 C ATOM 469 CZ3 TRP A 31 15.641 1.114 3.510 1.00 11.35 C ATOM 470 CH2 TRP A 31 14.800 0.166 2.913 1.00 21.21 C ATOM 0 H TRP A 31 11.963 6.262 2.059 1.00 2.32 H new ATOM 0 HA TRP A 31 13.704 7.182 4.111 1.00 44.14 H new ATOM 0 HB2 TRP A 31 14.443 4.976 4.938 1.00 41.51 H new ATOM 0 HB3 TRP A 31 12.783 5.313 5.389 1.00 41.51 H new ATOM 0 HD1 TRP A 31 10.893 4.149 3.507 1.00 23.45 H new ATOM 0 HE1 TRP A 31 10.927 1.744 2.554 1.00 3.03 H new ATOM 0 HE3 TRP A 31 15.820 3.081 4.345 1.00 23.20 H new ATOM 0 HZ2 TRP A 31 12.831 -0.300 2.223 1.00 42.43 H new ATOM 0 HZ3 TRP A 31 16.679 0.871 3.679 1.00 11.35 H new ATOM 0 HH2 TRP A 31 15.203 -0.795 2.629 1.00 21.21 H new ATOM 481 N ILE A 32 15.582 6.658 2.560 1.00 61.45 N ATOM 482 CA ILE A 32 16.620 6.515 1.547 1.00 64.34 C ATOM 483 C ILE A 32 17.776 5.663 2.061 1.00 43.24 C ATOM 484 O ILE A 32 18.091 5.679 3.250 1.00 4.21 O ATOM 485 CB ILE A 32 17.165 7.885 1.102 1.00 62.24 C ATOM 486 CG1 ILE A 32 16.038 8.742 0.522 1.00 44.22 C ATOM 487 CG2 ILE A 32 18.280 7.706 0.082 1.00 21.31 C ATOM 488 CD1 ILE A 32 16.493 9.671 -0.582 1.00 73.03 C ATOM 0 H ILE A 32 15.838 7.257 3.345 1.00 61.45 H new ATOM 0 HA ILE A 32 16.160 6.021 0.691 1.00 64.34 H new ATOM 0 HB ILE A 32 17.575 8.397 1.973 1.00 62.24 H new ATOM 0 HG12 ILE A 32 15.256 8.088 0.136 1.00 44.22 H new ATOM 0 HG13 ILE A 32 15.593 9.333 1.323 1.00 44.22 H new ATOM 0 HG21 ILE A 32 18.655 8.683 -0.223 1.00 21.31 H new ATOM 0 HG22 ILE A 32 19.091 7.129 0.527 1.00 21.31 H new ATOM 0 HG23 ILE A 32 17.894 7.177 -0.790 1.00 21.31 H new ATOM 0 HD11 ILE A 32 15.643 10.247 -0.946 1.00 73.03 H new ATOM 0 HD12 ILE A 32 17.253 10.350 -0.196 1.00 73.03 H new ATOM 0 HD13 ILE A 32 16.912 9.086 -1.401 1.00 73.03 H new ATOM 500 N ALA A 33 18.406 4.921 1.155 1.00 11.52 N ATOM 501 CA ALA A 33 19.530 4.066 1.516 1.00 12.31 C ATOM 502 C ALA A 33 20.852 4.681 1.071 1.00 64.23 C ATOM 503 O ALA A 33 21.161 4.717 -0.121 1.00 30.14 O ATOM 504 CB ALA A 33 19.357 2.683 0.907 1.00 31.32 C ATOM 0 H ALA A 33 18.157 4.895 0.166 1.00 11.52 H new ATOM 0 HA ALA A 33 19.550 3.973 2.602 1.00 12.31 H new ATOM 0 HB1 ALA A 33 20.203 2.055 1.185 1.00 31.32 H new ATOM 0 HB2 ALA A 33 18.435 2.235 1.278 1.00 31.32 H new ATOM 0 HB3 ALA A 33 19.308 2.767 -0.179 1.00 31.32 H new ATOM 510 N ARG A 34 21.630 5.164 2.035 1.00 75.34 N ATOM 511 CA ARG A 34 22.918 5.779 1.741 1.00 63.31 C ATOM 512 C ARG A 34 23.970 4.717 1.434 1.00 61.34 C ATOM 513 O ARG A 34 24.952 4.983 0.742 1.00 53.32 O ATOM 514 CB ARG A 34 23.377 6.640 2.919 1.00 32.12 C ATOM 515 CG ARG A 34 23.726 8.067 2.531 1.00 52.32 C ATOM 516 CD ARG A 34 25.192 8.373 2.792 1.00 3.23 C ATOM 517 NE ARG A 34 25.401 8.966 4.110 1.00 0.54 N ATOM 518 CZ ARG A 34 25.008 10.193 4.435 1.00 43.44 C ATOM 519 NH1 ARG A 34 24.389 10.953 3.541 1.00 22.42 N ATOM 520 NH2 ARG A 34 25.234 10.663 5.655 1.00 63.11 N ATOM 0 H ARG A 34 21.390 5.141 3.026 1.00 75.34 H new ATOM 0 HA ARG A 34 22.798 6.412 0.862 1.00 63.31 H new ATOM 0 HB2 ARG A 34 22.589 6.660 3.672 1.00 32.12 H new ATOM 0 HB3 ARG A 34 24.248 6.175 3.381 1.00 32.12 H new ATOM 0 HG2 ARG A 34 23.503 8.223 1.476 1.00 52.32 H new ATOM 0 HG3 ARG A 34 23.102 8.761 3.094 1.00 52.32 H new ATOM 0 HD2 ARG A 34 25.774 7.455 2.711 1.00 3.23 H new ATOM 0 HD3 ARG A 34 25.562 9.054 2.025 1.00 3.23 H new ATOM 0 HE ARG A 34 25.875 8.408 4.820 1.00 0.54 H new ATOM 0 HH11 ARG A 34 24.214 10.596 2.602 1.00 22.42 H new ATOM 0 HH12 ARG A 34 24.088 11.895 3.793 1.00 22.42 H new ATOM 0 HH21 ARG A 34 25.710 10.082 6.345 1.00 63.11 H new ATOM 0 HH22 ARG A 34 24.932 11.605 5.903 1.00 63.11 H new ATOM 534 N ASN A 35 23.757 3.512 1.954 1.00 51.33 N ATOM 535 CA ASN A 35 24.687 2.410 1.736 1.00 40.21 C ATOM 536 C ASN A 35 25.049 2.287 0.259 1.00 53.52 C ATOM 537 O ASN A 35 26.213 2.384 -0.131 1.00 34.41 O ATOM 538 CB ASN A 35 24.080 1.097 2.235 1.00 43.22 C ATOM 539 CG ASN A 35 24.840 0.520 3.414 1.00 50.33 C ATOM 540 OD1 ASN A 35 25.098 1.212 4.399 1.00 43.35 O ATOM 541 ND2 ASN A 35 25.202 -0.754 3.318 1.00 51.22 N ATOM 0 H ASN A 35 22.949 3.274 2.529 1.00 51.33 H new ATOM 0 HA ASN A 35 25.597 2.619 2.298 1.00 40.21 H new ATOM 0 HB2 ASN A 35 23.042 1.266 2.523 1.00 43.22 H new ATOM 0 HB3 ASN A 35 24.071 0.372 1.422 1.00 43.22 H new ATOM 0 HD21 ASN A 35 25.715 -1.197 4.080 1.00 51.22 H new ATOM 0 HD22 ASN A 35 24.967 -1.290 2.482 1.00 51.22 H new ATOM 548 N PRO A 36 24.028 2.070 -0.584 1.00 42.51 N ATOM 549 CA PRO A 36 24.213 1.931 -2.032 1.00 1.13 C ATOM 550 C PRO A 36 24.610 3.246 -2.695 1.00 35.23 C ATOM 551 O PRO A 36 24.572 4.313 -2.083 1.00 4.54 O ATOM 552 CB PRO A 36 22.836 1.478 -2.523 1.00 40.22 C ATOM 553 CG PRO A 36 21.881 1.991 -1.501 1.00 4.01 C ATOM 554 CD PRO A 36 22.615 1.945 -0.189 1.00 62.01 C ATOM 0 HA PRO A 36 25.017 1.237 -2.276 1.00 1.13 H new ATOM 0 HB2 PRO A 36 22.615 1.884 -3.510 1.00 40.22 H new ATOM 0 HB3 PRO A 36 22.782 0.392 -2.605 1.00 40.22 H new ATOM 0 HG2 PRO A 36 21.566 3.008 -1.737 1.00 4.01 H new ATOM 0 HG3 PRO A 36 20.980 1.378 -1.466 1.00 4.01 H new ATOM 0 HD2 PRO A 36 22.309 2.757 0.471 1.00 62.01 H new ATOM 0 HD3 PRO A 36 22.428 1.013 0.344 1.00 62.01 H new ATOM 562 N PRO A 37 24.998 3.170 -3.976 1.00 71.32 N ATOM 563 CA PRO A 37 25.408 4.345 -4.750 1.00 53.23 C ATOM 564 C PRO A 37 24.238 5.273 -5.058 1.00 13.41 C ATOM 565 O PRO A 37 24.430 6.444 -5.384 1.00 64.24 O ATOM 566 CB PRO A 37 25.966 3.742 -6.042 1.00 10.41 C ATOM 567 CG PRO A 37 25.282 2.425 -6.172 1.00 12.41 C ATOM 568 CD PRO A 37 25.066 1.930 -4.768 1.00 45.34 C ATOM 0 HA PRO A 37 26.124 4.961 -4.207 1.00 53.23 H new ATOM 0 HB2 PRO A 37 25.758 4.382 -6.899 1.00 10.41 H new ATOM 0 HB3 PRO A 37 27.048 3.622 -5.988 1.00 10.41 H new ATOM 0 HG2 PRO A 37 24.334 2.528 -6.700 1.00 12.41 H new ATOM 0 HG3 PRO A 37 25.890 1.724 -6.744 1.00 12.41 H new ATOM 0 HD2 PRO A 37 24.148 1.348 -4.684 1.00 45.34 H new ATOM 0 HD3 PRO A 37 25.882 1.287 -4.439 1.00 45.34 H new ATOM 576 N GLY A 38 23.023 4.743 -4.951 1.00 21.10 N ATOM 577 CA GLY A 38 21.840 5.539 -5.221 1.00 32.52 C ATOM 578 C GLY A 38 20.576 4.702 -5.264 1.00 43.21 C ATOM 579 O GLY A 38 20.097 4.344 -6.340 1.00 15.20 O ATOM 0 H GLY A 38 22.837 3.777 -4.682 1.00 21.10 H new ATOM 0 HA2 GLY A 38 21.739 6.306 -4.453 1.00 32.52 H new ATOM 0 HA3 GLY A 38 21.963 6.056 -6.173 1.00 32.52 H new ATOM 583 N PHE A 39 20.036 4.388 -4.091 1.00 62.02 N ATOM 584 CA PHE A 39 18.822 3.586 -3.999 1.00 71.31 C ATOM 585 C PHE A 39 17.983 4.005 -2.795 1.00 62.22 C ATOM 586 O PHE A 39 18.458 3.994 -1.660 1.00 65.32 O ATOM 587 CB PHE A 39 19.173 2.100 -3.898 1.00 24.02 C ATOM 588 CG PHE A 39 19.566 1.486 -5.211 1.00 4.00 C ATOM 589 CD1 PHE A 39 18.782 1.669 -6.339 1.00 22.45 C ATOM 590 CD2 PHE A 39 20.720 0.726 -5.318 1.00 30.13 C ATOM 591 CE1 PHE A 39 19.141 1.105 -7.549 1.00 3.33 C ATOM 592 CE2 PHE A 39 21.084 0.161 -6.525 1.00 62.41 C ATOM 593 CZ PHE A 39 20.293 0.349 -7.642 1.00 4.44 C ATOM 0 H PHE A 39 20.420 4.677 -3.191 1.00 62.02 H new ATOM 0 HA PHE A 39 18.237 3.753 -4.903 1.00 71.31 H new ATOM 0 HB2 PHE A 39 19.991 1.976 -3.189 1.00 24.02 H new ATOM 0 HB3 PHE A 39 18.317 1.559 -3.495 1.00 24.02 H new ATOM 0 HD1 PHE A 39 17.880 2.259 -6.272 1.00 22.45 H new ATOM 0 HD2 PHE A 39 21.342 0.574 -4.448 1.00 30.13 H new ATOM 0 HE1 PHE A 39 18.521 1.255 -8.421 1.00 3.33 H new ATOM 0 HE2 PHE A 39 21.987 -0.428 -6.595 1.00 62.41 H new ATOM 0 HZ PHE A 39 20.575 -0.094 -8.586 1.00 4.44 H new ATOM 603 N ALA A 40 16.733 4.375 -3.053 1.00 31.44 N ATOM 604 CA ALA A 40 15.827 4.796 -1.991 1.00 61.03 C ATOM 605 C ALA A 40 14.493 4.063 -2.085 1.00 22.02 C ATOM 606 O ALA A 40 14.095 3.612 -3.159 1.00 24.30 O ATOM 607 CB ALA A 40 15.610 6.301 -2.049 1.00 71.23 C ATOM 0 H ALA A 40 16.325 4.392 -3.988 1.00 31.44 H new ATOM 0 HA ALA A 40 16.284 4.542 -1.035 1.00 61.03 H new ATOM 0 HB1 ALA A 40 14.932 6.602 -1.251 1.00 71.23 H new ATOM 0 HB2 ALA A 40 16.565 6.811 -1.925 1.00 71.23 H new ATOM 0 HB3 ALA A 40 15.178 6.569 -3.013 1.00 71.23 H new ATOM 613 N PHE A 41 13.806 3.947 -0.953 1.00 44.20 N ATOM 614 CA PHE A 41 12.517 3.267 -0.907 1.00 42.03 C ATOM 615 C PHE A 41 11.445 4.173 -0.308 1.00 24.32 C ATOM 616 O PHE A 41 11.724 4.982 0.577 1.00 21.33 O ATOM 617 CB PHE A 41 12.626 1.977 -0.091 1.00 51.32 C ATOM 618 CG PHE A 41 12.740 0.741 -0.936 1.00 61.15 C ATOM 619 CD1 PHE A 41 13.774 0.602 -1.849 1.00 14.42 C ATOM 620 CD2 PHE A 41 11.813 -0.283 -0.819 1.00 5.50 C ATOM 621 CE1 PHE A 41 13.882 -0.534 -2.628 1.00 32.11 C ATOM 622 CE2 PHE A 41 11.917 -1.421 -1.595 1.00 71.50 C ATOM 623 CZ PHE A 41 12.951 -1.547 -2.501 1.00 45.14 C ATOM 0 H PHE A 41 14.121 4.315 -0.055 1.00 44.20 H new ATOM 0 HA PHE A 41 12.228 3.019 -1.928 1.00 42.03 H new ATOM 0 HB2 PHE A 41 13.496 2.042 0.562 1.00 51.32 H new ATOM 0 HB3 PHE A 41 11.750 1.888 0.552 1.00 51.32 H new ATOM 0 HD1 PHE A 41 14.504 1.391 -1.953 1.00 14.42 H new ATOM 0 HD2 PHE A 41 11.001 -0.190 -0.113 1.00 5.50 H new ATOM 0 HE1 PHE A 41 14.693 -0.630 -3.335 1.00 32.11 H new ATOM 0 HE2 PHE A 41 11.189 -2.212 -1.493 1.00 71.50 H new ATOM 0 HZ PHE A 41 13.032 -2.436 -3.109 1.00 45.14 H new ATOM 633 N VAL A 42 10.218 4.031 -0.797 1.00 73.24 N ATOM 634 CA VAL A 42 9.103 4.835 -0.311 1.00 20.23 C ATOM 635 C VAL A 42 7.853 3.983 -0.122 1.00 15.40 C ATOM 636 O VAL A 42 7.620 3.032 -0.867 1.00 54.31 O ATOM 637 CB VAL A 42 8.782 5.992 -1.276 1.00 22.25 C ATOM 638 CG1 VAL A 42 7.571 6.772 -0.789 1.00 54.33 C ATOM 639 CG2 VAL A 42 9.988 6.906 -1.431 1.00 24.44 C ATOM 0 H VAL A 42 9.970 3.366 -1.530 1.00 73.24 H new ATOM 0 HA VAL A 42 9.406 5.248 0.651 1.00 20.23 H new ATOM 0 HB VAL A 42 8.545 5.572 -2.254 1.00 22.25 H new ATOM 0 HG11 VAL A 42 7.359 7.585 -1.483 1.00 54.33 H new ATOM 0 HG12 VAL A 42 6.708 6.108 -0.734 1.00 54.33 H new ATOM 0 HG13 VAL A 42 7.776 7.183 0.200 1.00 54.33 H new ATOM 0 HG21 VAL A 42 9.744 7.718 -2.116 1.00 24.44 H new ATOM 0 HG22 VAL A 42 10.258 7.320 -0.459 1.00 24.44 H new ATOM 0 HG23 VAL A 42 10.828 6.336 -1.829 1.00 24.44 H new ATOM 649 N GLU A 43 7.051 4.333 0.879 1.00 30.44 N ATOM 650 CA GLU A 43 5.824 3.599 1.166 1.00 54.31 C ATOM 651 C GLU A 43 4.615 4.531 1.143 1.00 62.14 C ATOM 652 O GLU A 43 4.561 5.514 1.882 1.00 52.14 O ATOM 653 CB GLU A 43 5.922 2.908 2.527 1.00 2.14 C ATOM 654 CG GLU A 43 5.397 1.482 2.526 1.00 55.52 C ATOM 655 CD GLU A 43 5.817 0.704 3.757 1.00 1.23 C ATOM 656 OE1 GLU A 43 7.023 0.713 4.081 1.00 44.14 O ATOM 657 OE2 GLU A 43 4.941 0.086 4.397 1.00 11.33 O ATOM 0 H GLU A 43 7.229 5.119 1.504 1.00 30.44 H new ATOM 0 HA GLU A 43 5.694 2.843 0.392 1.00 54.31 H new ATOM 0 HB2 GLU A 43 6.964 2.902 2.848 1.00 2.14 H new ATOM 0 HB3 GLU A 43 5.366 3.490 3.261 1.00 2.14 H new ATOM 0 HG2 GLU A 43 4.309 1.500 2.466 1.00 55.52 H new ATOM 0 HG3 GLU A 43 5.757 0.967 1.635 1.00 55.52 H new ATOM 664 N PHE A 44 3.648 4.214 0.288 1.00 41.51 N ATOM 665 CA PHE A 44 2.441 5.023 0.166 1.00 13.11 C ATOM 666 C PHE A 44 1.252 4.327 0.822 1.00 14.42 C ATOM 667 O PHE A 44 0.942 3.179 0.509 1.00 72.43 O ATOM 668 CB PHE A 44 2.134 5.301 -1.307 1.00 10.10 C ATOM 669 CG PHE A 44 2.311 6.741 -1.695 1.00 1.43 C ATOM 670 CD1 PHE A 44 1.660 7.746 -0.997 1.00 32.42 C ATOM 671 CD2 PHE A 44 3.129 7.091 -2.757 1.00 74.14 C ATOM 672 CE1 PHE A 44 1.821 9.072 -1.351 1.00 31.03 C ATOM 673 CE2 PHE A 44 3.294 8.415 -3.116 1.00 11.54 C ATOM 674 CZ PHE A 44 2.638 9.407 -2.412 1.00 43.13 C ATOM 0 H PHE A 44 3.677 3.403 -0.330 1.00 41.51 H new ATOM 0 HA PHE A 44 2.615 5.969 0.678 1.00 13.11 H new ATOM 0 HB2 PHE A 44 2.783 4.683 -1.928 1.00 10.10 H new ATOM 0 HB3 PHE A 44 1.108 4.999 -1.519 1.00 10.10 H new ATOM 0 HD1 PHE A 44 1.019 7.490 -0.166 1.00 32.42 H new ATOM 0 HD2 PHE A 44 3.644 6.320 -3.311 1.00 74.14 H new ATOM 0 HE1 PHE A 44 1.308 9.845 -0.798 1.00 31.03 H new ATOM 0 HE2 PHE A 44 3.935 8.674 -3.946 1.00 11.54 H new ATOM 0 HZ PHE A 44 2.764 10.443 -2.691 1.00 43.13 H new ATOM 684 N GLU A 45 0.591 5.033 1.735 1.00 74.32 N ATOM 685 CA GLU A 45 -0.563 4.482 2.436 1.00 12.42 C ATOM 686 C GLU A 45 -1.563 3.883 1.452 1.00 72.32 C ATOM 687 O GLU A 45 -2.205 2.873 1.740 1.00 30.54 O ATOM 688 CB GLU A 45 -1.244 5.567 3.274 1.00 24.23 C ATOM 689 CG GLU A 45 -2.564 5.127 3.883 1.00 33.40 C ATOM 690 CD GLU A 45 -2.462 3.793 4.597 1.00 62.20 C ATOM 691 OE1 GLU A 45 -1.453 3.573 5.300 1.00 14.13 O ATOM 692 OE2 GLU A 45 -3.389 2.969 4.452 1.00 1.04 O ATOM 0 H GLU A 45 0.835 5.986 2.006 1.00 74.32 H new ATOM 0 HA GLU A 45 -0.210 3.690 3.096 1.00 12.42 H new ATOM 0 HB2 GLU A 45 -0.569 5.874 4.073 1.00 24.23 H new ATOM 0 HB3 GLU A 45 -1.416 6.443 2.648 1.00 24.23 H new ATOM 0 HG2 GLU A 45 -2.906 5.886 4.587 1.00 33.40 H new ATOM 0 HG3 GLU A 45 -3.317 5.058 3.098 1.00 33.40 H new ATOM 699 N ASP A 46 -1.690 4.513 0.289 1.00 31.23 N ATOM 700 CA ASP A 46 -2.611 4.042 -0.739 1.00 12.41 C ATOM 701 C ASP A 46 -1.868 3.734 -2.035 1.00 25.13 C ATOM 702 O ASP A 46 -0.852 4.351 -2.358 1.00 73.44 O ATOM 703 CB ASP A 46 -3.698 5.087 -0.996 1.00 73.14 C ATOM 704 CG ASP A 46 -3.131 6.406 -1.483 1.00 65.43 C ATOM 705 OD1 ASP A 46 -2.294 6.993 -0.765 1.00 54.22 O ATOM 706 OD2 ASP A 46 -3.522 6.850 -2.583 1.00 24.42 O ATOM 0 H ASP A 46 -1.167 5.351 0.035 1.00 31.23 H new ATOM 0 HA ASP A 46 -3.077 3.124 -0.382 1.00 12.41 H new ATOM 0 HB2 ASP A 46 -4.400 4.702 -1.735 1.00 73.14 H new ATOM 0 HB3 ASP A 46 -4.261 5.254 -0.078 1.00 73.14 H new ATOM 711 N PRO A 47 -2.383 2.756 -2.794 1.00 64.15 N ATOM 712 CA PRO A 47 -1.783 2.343 -4.067 1.00 21.12 C ATOM 713 C PRO A 47 -1.939 3.402 -5.152 1.00 51.43 C ATOM 714 O PRO A 47 -1.007 3.668 -5.912 1.00 13.54 O ATOM 715 CB PRO A 47 -2.566 1.081 -4.435 1.00 35.40 C ATOM 716 CG PRO A 47 -3.878 1.234 -3.745 1.00 22.12 C ATOM 717 CD PRO A 47 -3.590 1.978 -2.470 1.00 54.54 C ATOM 0 HA PRO A 47 -0.708 2.184 -3.978 1.00 21.12 H new ATOM 0 HB2 PRO A 47 -2.694 0.995 -5.514 1.00 35.40 H new ATOM 0 HB3 PRO A 47 -2.047 0.182 -4.103 1.00 35.40 H new ATOM 0 HG2 PRO A 47 -4.584 1.784 -4.367 1.00 22.12 H new ATOM 0 HG3 PRO A 47 -4.326 0.262 -3.537 1.00 22.12 H new ATOM 0 HD2 PRO A 47 -4.420 2.624 -2.186 1.00 54.54 H new ATOM 0 HD3 PRO A 47 -3.417 1.296 -1.637 1.00 54.54 H new ATOM 725 N ARG A 48 -3.122 4.004 -5.219 1.00 51.25 N ATOM 726 CA ARG A 48 -3.400 5.034 -6.213 1.00 1.40 C ATOM 727 C ARG A 48 -2.318 6.110 -6.198 1.00 65.11 C ATOM 728 O ARG A 48 -1.793 6.491 -7.245 1.00 11.34 O ATOM 729 CB ARG A 48 -4.768 5.668 -5.953 1.00 5.54 C ATOM 730 CG ARG A 48 -5.108 6.797 -6.912 1.00 74.34 C ATOM 731 CD ARG A 48 -6.536 7.282 -6.717 1.00 75.44 C ATOM 732 NE ARG A 48 -6.749 7.837 -5.384 1.00 5.34 N ATOM 733 CZ ARG A 48 -7.874 8.434 -5.007 1.00 3.25 C ATOM 734 NH1 ARG A 48 -8.883 8.552 -5.858 1.00 33.41 N ATOM 735 NH2 ARG A 48 -7.991 8.915 -3.775 1.00 62.32 N ATOM 0 H ARG A 48 -3.903 3.796 -4.597 1.00 51.25 H new ATOM 0 HA ARG A 48 -3.406 4.563 -7.196 1.00 1.40 H new ATOM 0 HB2 ARG A 48 -5.536 4.898 -6.025 1.00 5.54 H new ATOM 0 HB3 ARG A 48 -4.794 6.049 -4.932 1.00 5.54 H new ATOM 0 HG2 ARG A 48 -4.417 7.626 -6.759 1.00 74.34 H new ATOM 0 HG3 ARG A 48 -4.975 6.456 -7.939 1.00 74.34 H new ATOM 0 HD2 ARG A 48 -6.767 8.040 -7.466 1.00 75.44 H new ATOM 0 HD3 ARG A 48 -7.225 6.453 -6.879 1.00 75.44 H new ATOM 0 HE ARG A 48 -5.992 7.762 -4.704 1.00 5.34 H new ATOM 0 HH11 ARG A 48 -8.797 8.184 -6.805 1.00 33.41 H new ATOM 0 HH12 ARG A 48 -9.746 9.011 -5.566 1.00 33.41 H new ATOM 0 HH21 ARG A 48 -7.217 8.826 -3.117 1.00 62.32 H new ATOM 0 HH22 ARG A 48 -8.855 9.373 -3.486 1.00 62.32 H new ATOM 749 N ASP A 49 -1.989 6.595 -5.006 1.00 20.42 N ATOM 750 CA ASP A 49 -0.969 7.626 -4.854 1.00 61.32 C ATOM 751 C ASP A 49 0.398 7.106 -5.289 1.00 52.25 C ATOM 752 O ASP A 49 1.199 7.844 -5.862 1.00 25.30 O ATOM 753 CB ASP A 49 -0.908 8.104 -3.403 1.00 31.54 C ATOM 754 CG ASP A 49 -1.863 9.249 -3.130 1.00 20.04 C ATOM 755 OD1 ASP A 49 -1.916 10.186 -3.953 1.00 71.34 O ATOM 756 OD2 ASP A 49 -2.557 9.209 -2.092 1.00 4.14 O ATOM 0 H ASP A 49 -2.414 6.291 -4.130 1.00 20.42 H new ATOM 0 HA ASP A 49 -1.239 8.466 -5.494 1.00 61.32 H new ATOM 0 HB2 ASP A 49 -1.144 7.272 -2.739 1.00 31.54 H new ATOM 0 HB3 ASP A 49 0.109 8.420 -3.170 1.00 31.54 H new ATOM 761 N ALA A 50 0.656 5.832 -5.013 1.00 4.31 N ATOM 762 CA ALA A 50 1.925 5.214 -5.377 1.00 4.14 C ATOM 763 C ALA A 50 2.051 5.068 -6.889 1.00 62.13 C ATOM 764 O ALA A 50 3.114 5.314 -7.459 1.00 33.10 O ATOM 765 CB ALA A 50 2.065 3.859 -4.700 1.00 21.51 C ATOM 0 H ALA A 50 0.003 5.208 -4.539 1.00 4.31 H new ATOM 0 HA ALA A 50 2.729 5.864 -5.033 1.00 4.14 H new ATOM 0 HB1 ALA A 50 3.017 3.409 -4.981 1.00 21.51 H new ATOM 0 HB2 ALA A 50 2.029 3.987 -3.618 1.00 21.51 H new ATOM 0 HB3 ALA A 50 1.249 3.209 -5.015 1.00 21.51 H new ATOM 771 N GLU A 51 0.960 4.665 -7.533 1.00 50.31 N ATOM 772 CA GLU A 51 0.950 4.485 -8.980 1.00 45.21 C ATOM 773 C GLU A 51 1.134 5.820 -9.696 1.00 2.31 C ATOM 774 O GLU A 51 1.929 5.932 -10.629 1.00 44.20 O ATOM 775 CB GLU A 51 -0.359 3.831 -9.426 1.00 63.33 C ATOM 776 CG GLU A 51 -0.160 2.636 -10.344 1.00 32.25 C ATOM 777 CD GLU A 51 -1.454 1.897 -10.627 1.00 25.42 C ATOM 778 OE1 GLU A 51 -2.531 2.440 -10.305 1.00 62.13 O ATOM 779 OE2 GLU A 51 -1.388 0.774 -11.171 1.00 4.14 O ATOM 0 H GLU A 51 0.072 4.457 -7.076 1.00 50.31 H new ATOM 0 HA GLU A 51 1.782 3.833 -9.245 1.00 45.21 H new ATOM 0 HB2 GLU A 51 -0.915 3.513 -8.544 1.00 63.33 H new ATOM 0 HB3 GLU A 51 -0.971 4.574 -9.938 1.00 63.33 H new ATOM 0 HG2 GLU A 51 0.275 2.974 -11.285 1.00 32.25 H new ATOM 0 HG3 GLU A 51 0.555 1.949 -9.891 1.00 32.25 H new ATOM 786 N ASP A 52 0.393 6.829 -9.252 1.00 51.42 N ATOM 787 CA ASP A 52 0.473 8.158 -9.849 1.00 64.51 C ATOM 788 C ASP A 52 1.834 8.792 -9.580 1.00 42.54 C ATOM 789 O ASP A 52 2.384 9.489 -10.433 1.00 2.23 O ATOM 790 CB ASP A 52 -0.639 9.054 -9.302 1.00 44.12 C ATOM 791 CG ASP A 52 -1.443 9.716 -10.404 1.00 2.23 C ATOM 792 OD1 ASP A 52 -0.906 10.632 -11.062 1.00 70.34 O ATOM 793 OD2 ASP A 52 -2.609 9.318 -10.608 1.00 4.33 O ATOM 0 H ASP A 52 -0.270 6.753 -8.481 1.00 51.42 H new ATOM 0 HA ASP A 52 0.347 8.054 -10.927 1.00 64.51 H new ATOM 0 HB2 ASP A 52 -1.305 8.460 -8.676 1.00 44.12 H new ATOM 0 HB3 ASP A 52 -0.202 9.822 -8.663 1.00 44.12 H new ATOM 798 N ALA A 53 2.371 8.547 -8.390 1.00 10.45 N ATOM 799 CA ALA A 53 3.667 9.094 -8.009 1.00 4.31 C ATOM 800 C ALA A 53 4.783 8.511 -8.869 1.00 23.32 C ATOM 801 O ALA A 53 5.648 9.237 -9.359 1.00 12.41 O ATOM 802 CB ALA A 53 3.940 8.829 -6.536 1.00 21.03 C ATOM 0 H ALA A 53 1.928 7.973 -7.673 1.00 10.45 H new ATOM 0 HA ALA A 53 3.641 10.171 -8.174 1.00 4.31 H new ATOM 0 HB1 ALA A 53 4.911 9.243 -6.266 1.00 21.03 H new ATOM 0 HB2 ALA A 53 3.164 9.299 -5.932 1.00 21.03 H new ATOM 0 HB3 ALA A 53 3.940 7.754 -6.354 1.00 21.03 H new ATOM 808 N VAL A 54 4.759 7.194 -9.048 1.00 20.31 N ATOM 809 CA VAL A 54 5.769 6.512 -9.849 1.00 53.43 C ATOM 810 C VAL A 54 5.685 6.933 -11.312 1.00 75.44 C ATOM 811 O VAL A 54 6.658 7.422 -11.885 1.00 62.23 O ATOM 812 CB VAL A 54 5.620 4.982 -9.757 1.00 1.24 C ATOM 813 CG1 VAL A 54 6.645 4.291 -10.644 1.00 15.42 C ATOM 814 CG2 VAL A 54 5.755 4.521 -8.313 1.00 60.44 C ATOM 0 H VAL A 54 4.051 6.578 -8.649 1.00 20.31 H new ATOM 0 HA VAL A 54 6.740 6.799 -9.446 1.00 53.43 H new ATOM 0 HB VAL A 54 4.626 4.708 -10.111 1.00 1.24 H new ATOM 0 HG11 VAL A 54 6.524 3.211 -10.566 1.00 15.42 H new ATOM 0 HG12 VAL A 54 6.497 4.599 -11.679 1.00 15.42 H new ATOM 0 HG13 VAL A 54 7.649 4.568 -10.323 1.00 15.42 H new ATOM 0 HG21 VAL A 54 5.647 3.437 -8.265 1.00 60.44 H new ATOM 0 HG22 VAL A 54 6.735 4.805 -7.930 1.00 60.44 H new ATOM 0 HG23 VAL A 54 4.979 4.990 -7.707 1.00 60.44 H new ATOM 824 N ARG A 55 4.514 6.739 -11.912 1.00 22.25 N ATOM 825 CA ARG A 55 4.303 7.097 -13.309 1.00 14.02 C ATOM 826 C ARG A 55 4.599 8.576 -13.542 1.00 23.51 C ATOM 827 O ARG A 55 5.152 8.953 -14.574 1.00 42.00 O ATOM 828 CB ARG A 55 2.865 6.782 -13.726 1.00 51.41 C ATOM 829 CG ARG A 55 2.695 5.398 -14.331 1.00 2.24 C ATOM 830 CD ARG A 55 1.235 4.973 -14.349 1.00 2.42 C ATOM 831 NE ARG A 55 1.077 3.575 -14.738 1.00 71.31 N ATOM 832 CZ ARG A 55 -0.072 2.913 -14.652 1.00 1.43 C ATOM 833 NH1 ARG A 55 -1.157 3.521 -14.193 1.00 34.45 N ATOM 834 NH2 ARG A 55 -0.137 1.642 -15.026 1.00 24.14 N ATOM 0 H ARG A 55 3.698 6.336 -11.452 1.00 22.25 H new ATOM 0 HA ARG A 55 4.989 6.507 -13.917 1.00 14.02 H new ATOM 0 HB2 ARG A 55 2.216 6.871 -12.855 1.00 51.41 H new ATOM 0 HB3 ARG A 55 2.533 7.528 -14.448 1.00 51.41 H new ATOM 0 HG2 ARG A 55 3.089 5.393 -15.347 1.00 2.24 H new ATOM 0 HG3 ARG A 55 3.278 4.676 -13.760 1.00 2.24 H new ATOM 0 HD2 ARG A 55 0.801 5.126 -13.361 1.00 2.42 H new ATOM 0 HD3 ARG A 55 0.681 5.607 -15.042 1.00 2.42 H new ATOM 0 HE ARG A 55 1.893 3.079 -15.095 1.00 71.31 H new ATOM 0 HH11 ARG A 55 -1.111 4.498 -13.905 1.00 34.45 H new ATOM 0 HH12 ARG A 55 -2.038 3.011 -14.128 1.00 34.45 H new ATOM 0 HH21 ARG A 55 0.696 1.171 -15.380 1.00 24.14 H new ATOM 0 HH22 ARG A 55 -1.020 1.135 -14.959 1.00 24.14 H new ATOM 848 N GLY A 56 4.227 9.408 -12.575 1.00 12.44 N ATOM 849 CA GLY A 56 4.460 10.836 -12.694 1.00 25.30 C ATOM 850 C GLY A 56 5.935 11.185 -12.677 1.00 3.20 C ATOM 851 O GLY A 56 6.460 11.744 -13.641 1.00 70.34 O ATOM 0 H GLY A 56 3.768 9.119 -11.711 1.00 12.44 H new ATOM 0 HA2 GLY A 56 4.015 11.198 -13.621 1.00 25.30 H new ATOM 0 HA3 GLY A 56 3.958 11.353 -11.876 1.00 25.30 H new ATOM 855 N LEU A 57 6.606 10.858 -11.578 1.00 45.02 N ATOM 856 CA LEU A 57 8.030 11.142 -11.438 1.00 45.34 C ATOM 857 C LEU A 57 8.835 10.442 -12.528 1.00 62.34 C ATOM 858 O LEU A 57 9.606 11.076 -13.249 1.00 71.45 O ATOM 859 CB LEU A 57 8.526 10.701 -10.060 1.00 13.42 C ATOM 860 CG LEU A 57 8.401 11.735 -8.940 1.00 31.22 C ATOM 861 CD1 LEU A 57 6.958 12.192 -8.793 1.00 71.24 C ATOM 862 CD2 LEU A 57 8.917 11.164 -7.627 1.00 61.52 C ATOM 0 H LEU A 57 6.187 10.396 -10.771 1.00 45.02 H new ATOM 0 HA LEU A 57 8.172 12.218 -11.541 1.00 45.34 H new ATOM 0 HB2 LEU A 57 7.975 9.808 -9.766 1.00 13.42 H new ATOM 0 HB3 LEU A 57 9.574 10.414 -10.148 1.00 13.42 H new ATOM 0 HG LEU A 57 9.010 12.600 -9.202 1.00 31.22 H new ATOM 0 HD11 LEU A 57 6.889 12.927 -7.991 1.00 71.24 H new ATOM 0 HD12 LEU A 57 6.622 12.641 -9.727 1.00 71.24 H new ATOM 0 HD13 LEU A 57 6.328 11.335 -8.555 1.00 71.24 H new ATOM 0 HD21 LEU A 57 8.820 11.913 -6.841 1.00 61.52 H new ATOM 0 HD22 LEU A 57 8.335 10.282 -7.360 1.00 61.52 H new ATOM 0 HD23 LEU A 57 9.966 10.887 -7.738 1.00 61.52 H new ATOM 874 N ASP A 58 8.649 9.131 -12.644 1.00 3.41 N ATOM 875 CA ASP A 58 9.355 8.345 -13.648 1.00 64.45 C ATOM 876 C ASP A 58 9.041 8.849 -15.053 1.00 72.24 C ATOM 877 O ASP A 58 9.900 8.841 -15.934 1.00 21.22 O ATOM 878 CB ASP A 58 8.979 6.867 -13.527 1.00 50.22 C ATOM 879 CG ASP A 58 9.992 5.955 -14.191 1.00 53.24 C ATOM 880 OD1 ASP A 58 11.205 6.183 -14.007 1.00 44.54 O ATOM 881 OD2 ASP A 58 9.571 5.014 -14.896 1.00 35.21 O ATOM 0 H ASP A 58 8.015 8.591 -12.055 1.00 3.41 H new ATOM 0 HA ASP A 58 10.425 8.455 -13.473 1.00 64.45 H new ATOM 0 HB2 ASP A 58 8.892 6.602 -12.473 1.00 50.22 H new ATOM 0 HB3 ASP A 58 8.000 6.706 -13.978 1.00 50.22 H new ATOM 886 N GLY A 59 7.802 9.286 -15.256 1.00 53.42 N ATOM 887 CA GLY A 59 7.395 9.787 -16.556 1.00 61.13 C ATOM 888 C GLY A 59 7.827 11.221 -16.786 1.00 44.45 C ATOM 889 O GLY A 59 7.844 11.699 -17.921 1.00 73.33 O ATOM 0 H GLY A 59 7.073 9.302 -14.543 1.00 53.42 H new ATOM 0 HA2 GLY A 59 7.819 9.154 -17.335 1.00 61.13 H new ATOM 0 HA3 GLY A 59 6.311 9.719 -16.645 1.00 61.13 H new ATOM 893 N LYS A 60 8.177 11.913 -15.707 1.00 64.41 N ATOM 894 CA LYS A 60 8.612 13.302 -15.795 1.00 33.30 C ATOM 895 C LYS A 60 9.546 13.654 -14.642 1.00 34.25 C ATOM 896 O LYS A 60 9.149 13.623 -13.477 1.00 32.45 O ATOM 897 CB LYS A 60 7.401 14.237 -15.789 1.00 12.53 C ATOM 898 CG LYS A 60 7.760 15.698 -16.001 1.00 74.02 C ATOM 899 CD LYS A 60 8.098 15.983 -17.455 1.00 11.22 C ATOM 900 CE LYS A 60 9.085 17.133 -17.582 1.00 41.30 C ATOM 901 NZ LYS A 60 8.598 18.181 -18.521 1.00 13.42 N ATOM 0 H LYS A 60 8.168 11.534 -14.760 1.00 64.41 H new ATOM 0 HA LYS A 60 9.157 13.428 -16.731 1.00 33.30 H new ATOM 0 HB2 LYS A 60 6.708 13.925 -16.570 1.00 12.53 H new ATOM 0 HB3 LYS A 60 6.878 14.134 -14.838 1.00 12.53 H new ATOM 0 HG2 LYS A 60 6.926 16.327 -15.690 1.00 74.02 H new ATOM 0 HG3 LYS A 60 8.610 15.960 -15.371 1.00 74.02 H new ATOM 0 HD2 LYS A 60 8.519 15.088 -17.914 1.00 11.22 H new ATOM 0 HD3 LYS A 60 7.186 16.223 -18.002 1.00 11.22 H new ATOM 0 HE2 LYS A 60 9.255 17.576 -16.601 1.00 41.30 H new ATOM 0 HE3 LYS A 60 10.045 16.751 -17.930 1.00 41.30 H new ATOM 0 HZ1 LYS A 60 9.299 18.947 -18.580 1.00 13.42 H new ATOM 0 HZ2 LYS A 60 8.460 17.765 -19.464 1.00 13.42 H new ATOM 0 HZ3 LYS A 60 7.695 18.564 -18.176 1.00 13.42 H new ATOM 915 N VAL A 61 10.788 13.990 -14.973 1.00 40.35 N ATOM 916 CA VAL A 61 11.778 14.351 -13.965 1.00 54.13 C ATOM 917 C VAL A 61 11.218 15.380 -12.990 1.00 0.24 C ATOM 918 O VAL A 61 10.247 16.073 -13.293 1.00 15.54 O ATOM 919 CB VAL A 61 13.057 14.915 -14.611 1.00 41.04 C ATOM 920 CG1 VAL A 61 13.567 13.976 -15.694 1.00 25.04 C ATOM 921 CG2 VAL A 61 12.800 16.304 -15.177 1.00 24.24 C ATOM 0 H VAL A 61 11.133 14.020 -15.932 1.00 40.35 H new ATOM 0 HA VAL A 61 12.026 13.438 -13.423 1.00 54.13 H new ATOM 0 HB VAL A 61 13.826 14.997 -13.842 1.00 41.04 H new ATOM 0 HG11 VAL A 61 14.471 14.391 -16.139 1.00 25.04 H new ATOM 0 HG12 VAL A 61 13.792 13.003 -15.256 1.00 25.04 H new ATOM 0 HG13 VAL A 61 12.804 13.860 -16.464 1.00 25.04 H new ATOM 0 HG21 VAL A 61 13.714 16.687 -15.630 1.00 24.24 H new ATOM 0 HG22 VAL A 61 12.016 16.250 -15.933 1.00 24.24 H new ATOM 0 HG23 VAL A 61 12.485 16.971 -14.375 1.00 24.24 H new ATOM 931 N ILE A 62 11.838 15.474 -11.818 1.00 14.41 N ATOM 932 CA ILE A 62 11.402 16.420 -10.798 1.00 42.30 C ATOM 933 C ILE A 62 12.522 17.390 -10.433 1.00 74.54 C ATOM 934 O ILE A 62 13.554 16.987 -9.896 1.00 43.22 O ATOM 935 CB ILE A 62 10.930 15.696 -9.523 1.00 51.24 C ATOM 936 CG1 ILE A 62 10.585 16.711 -8.432 1.00 1.51 C ATOM 937 CG2 ILE A 62 11.999 14.729 -9.037 1.00 0.44 C ATOM 938 CD1 ILE A 62 9.527 17.710 -8.847 1.00 61.55 C ATOM 0 H ILE A 62 12.643 14.907 -11.552 1.00 14.41 H new ATOM 0 HA ILE A 62 10.565 16.976 -11.221 1.00 42.30 H new ATOM 0 HB ILE A 62 10.032 15.125 -9.758 1.00 51.24 H new ATOM 0 HG12 ILE A 62 10.241 16.177 -7.546 1.00 1.51 H new ATOM 0 HG13 ILE A 62 11.490 17.249 -8.149 1.00 1.51 H new ATOM 0 HG21 ILE A 62 11.651 14.225 -8.135 1.00 0.44 H new ATOM 0 HG22 ILE A 62 12.200 13.989 -9.812 1.00 0.44 H new ATOM 0 HG23 ILE A 62 12.913 15.279 -8.815 1.00 0.44 H new ATOM 0 HD11 ILE A 62 9.333 18.398 -8.024 1.00 61.55 H new ATOM 0 HD12 ILE A 62 9.876 18.271 -9.714 1.00 61.55 H new ATOM 0 HD13 ILE A 62 8.608 17.182 -9.102 1.00 61.55 H new ATOM 950 N CYS A 63 12.309 18.667 -10.727 1.00 40.41 N ATOM 951 CA CYS A 63 13.300 19.695 -10.429 1.00 40.42 C ATOM 952 C CYS A 63 14.674 19.295 -10.955 1.00 63.43 C ATOM 953 O CYS A 63 15.685 19.465 -10.275 1.00 11.31 O ATOM 954 CB CYS A 63 13.370 19.944 -8.922 1.00 22.02 C ATOM 955 SG CYS A 63 14.082 21.544 -8.470 1.00 33.53 S ATOM 0 H CYS A 63 11.460 19.016 -11.171 1.00 40.41 H new ATOM 0 HA CYS A 63 12.994 20.615 -10.928 1.00 40.42 H new ATOM 0 HB2 CYS A 63 12.365 19.875 -8.506 1.00 22.02 H new ATOM 0 HB3 CYS A 63 13.961 19.152 -8.461 1.00 22.02 H new ATOM 0 HG CYS A 63 14.097 21.662 -7.175 1.00 33.53 H new ATOM 961 N GLY A 64 14.703 18.759 -12.172 1.00 25.52 N ATOM 962 CA GLY A 64 15.959 18.340 -12.768 1.00 75.30 C ATOM 963 C GLY A 64 16.483 17.049 -12.170 1.00 14.43 C ATOM 964 O GLY A 64 17.693 16.844 -12.083 1.00 2.23 O ATOM 0 H GLY A 64 13.880 18.608 -12.755 1.00 25.52 H new ATOM 0 HA2 GLY A 64 15.823 18.210 -13.842 1.00 75.30 H new ATOM 0 HA3 GLY A 64 16.702 19.127 -12.634 1.00 75.30 H new ATOM 968 N SER A 65 15.569 16.178 -11.754 1.00 62.44 N ATOM 969 CA SER A 65 15.946 14.902 -11.156 1.00 0.53 C ATOM 970 C SER A 65 15.252 13.743 -11.864 1.00 51.33 C ATOM 971 O SER A 65 14.100 13.423 -11.572 1.00 55.52 O ATOM 972 CB SER A 65 15.593 14.890 -9.667 1.00 62.21 C ATOM 973 OG SER A 65 16.164 16.001 -8.998 1.00 54.32 O ATOM 0 H SER A 65 14.563 16.332 -11.820 1.00 62.44 H new ATOM 0 HA SER A 65 17.023 14.780 -11.269 1.00 0.53 H new ATOM 0 HB2 SER A 65 14.510 14.907 -9.547 1.00 62.21 H new ATOM 0 HB3 SER A 65 15.950 13.966 -9.213 1.00 62.21 H new ATOM 0 HG SER A 65 15.548 16.762 -9.043 1.00 54.32 H new ATOM 979 N ARG A 66 15.962 13.118 -12.797 1.00 62.04 N ATOM 980 CA ARG A 66 15.415 11.995 -13.549 1.00 42.25 C ATOM 981 C ARG A 66 15.633 10.683 -12.802 1.00 72.31 C ATOM 982 O ARG A 66 16.139 9.712 -13.365 1.00 74.23 O ATOM 983 CB ARG A 66 16.060 11.919 -14.934 1.00 63.25 C ATOM 984 CG ARG A 66 17.563 11.696 -14.895 1.00 4.52 C ATOM 985 CD ARG A 66 18.252 12.333 -16.092 1.00 5.24 C ATOM 986 NE ARG A 66 18.914 11.341 -16.934 1.00 62.41 N ATOM 987 CZ ARG A 66 20.042 10.725 -16.597 1.00 33.33 C ATOM 988 NH1 ARG A 66 20.630 10.998 -15.440 1.00 74.50 N ATOM 989 NH2 ARG A 66 20.583 9.833 -17.417 1.00 2.11 N ATOM 0 H ARG A 66 16.917 13.370 -13.050 1.00 62.04 H new ATOM 0 HA ARG A 66 14.343 12.154 -13.663 1.00 42.25 H new ATOM 0 HB2 ARG A 66 15.596 11.110 -15.498 1.00 63.25 H new ATOM 0 HB3 ARG A 66 15.852 12.843 -15.473 1.00 63.25 H new ATOM 0 HG2 ARG A 66 17.970 12.114 -13.974 1.00 4.52 H new ATOM 0 HG3 ARG A 66 17.773 10.627 -14.880 1.00 4.52 H new ATOM 0 HD2 ARG A 66 17.518 12.879 -16.684 1.00 5.24 H new ATOM 0 HD3 ARG A 66 18.985 13.060 -15.743 1.00 5.24 H new ATOM 0 HE ARG A 66 18.487 11.108 -17.831 1.00 62.41 H new ATOM 0 HH11 ARG A 66 20.216 11.682 -14.807 1.00 74.50 H new ATOM 0 HH12 ARG A 66 21.496 10.524 -15.184 1.00 74.50 H new ATOM 0 HH21 ARG A 66 20.133 9.620 -18.307 1.00 2.11 H new ATOM 0 HH22 ARG A 66 21.449 9.361 -17.157 1.00 2.11 H new ATOM 1003 N VAL A 67 15.248 10.661 -11.530 1.00 53.10 N ATOM 1004 CA VAL A 67 15.400 9.468 -10.705 1.00 51.43 C ATOM 1005 C VAL A 67 14.650 8.285 -11.307 1.00 24.00 C ATOM 1006 O VAL A 67 13.870 8.444 -12.246 1.00 22.21 O ATOM 1007 CB VAL A 67 14.891 9.709 -9.272 1.00 23.25 C ATOM 1008 CG1 VAL A 67 15.839 10.627 -8.515 1.00 64.13 C ATOM 1009 CG2 VAL A 67 13.484 10.285 -9.296 1.00 13.44 C ATOM 0 H VAL A 67 14.828 11.456 -11.048 1.00 53.10 H new ATOM 0 HA VAL A 67 16.465 9.240 -10.671 1.00 51.43 H new ATOM 0 HB VAL A 67 14.858 8.752 -8.752 1.00 23.25 H new ATOM 0 HG11 VAL A 67 15.462 10.786 -7.504 1.00 64.13 H new ATOM 0 HG12 VAL A 67 16.827 10.169 -8.466 1.00 64.13 H new ATOM 0 HG13 VAL A 67 15.908 11.585 -9.031 1.00 64.13 H new ATOM 0 HG21 VAL A 67 13.140 10.449 -8.275 1.00 13.44 H new ATOM 0 HG22 VAL A 67 13.488 11.233 -9.834 1.00 13.44 H new ATOM 0 HG23 VAL A 67 12.813 9.587 -9.797 1.00 13.44 H new ATOM 1019 N ARG A 68 14.892 7.098 -10.760 1.00 2.45 N ATOM 1020 CA ARG A 68 14.240 5.887 -11.243 1.00 25.03 C ATOM 1021 C ARG A 68 13.210 5.385 -10.235 1.00 41.22 C ATOM 1022 O ARG A 68 13.563 4.882 -9.168 1.00 42.25 O ATOM 1023 CB ARG A 68 15.279 4.797 -11.512 1.00 71.54 C ATOM 1024 CG ARG A 68 15.969 4.933 -12.860 1.00 24.25 C ATOM 1025 CD ARG A 68 16.447 3.586 -13.379 1.00 43.04 C ATOM 1026 NE ARG A 68 15.335 2.689 -13.680 1.00 15.23 N ATOM 1027 CZ ARG A 68 15.476 1.526 -14.305 1.00 64.21 C ATOM 1028 NH1 ARG A 68 16.677 1.121 -14.694 1.00 25.53 N ATOM 1029 NH2 ARG A 68 14.415 0.765 -14.542 1.00 65.03 N ATOM 0 H ARG A 68 15.535 6.949 -9.982 1.00 2.45 H new ATOM 0 HA ARG A 68 13.725 6.127 -12.173 1.00 25.03 H new ATOM 0 HB2 ARG A 68 16.032 4.822 -10.724 1.00 71.54 H new ATOM 0 HB3 ARG A 68 14.793 3.823 -11.459 1.00 71.54 H new ATOM 0 HG2 ARG A 68 15.281 5.378 -13.579 1.00 24.25 H new ATOM 0 HG3 ARG A 68 16.818 5.611 -12.769 1.00 24.25 H new ATOM 0 HD2 ARG A 68 17.045 3.736 -14.278 1.00 43.04 H new ATOM 0 HD3 ARG A 68 17.097 3.122 -12.637 1.00 43.04 H new ATOM 0 HE ARG A 68 14.397 2.972 -13.394 1.00 15.23 H new ATOM 0 HH11 ARG A 68 17.495 1.703 -14.513 1.00 25.53 H new ATOM 0 HH12 ARG A 68 16.783 0.227 -15.174 1.00 25.53 H new ATOM 0 HH21 ARG A 68 13.489 1.073 -14.244 1.00 65.03 H new ATOM 0 HH22 ARG A 68 14.525 -0.128 -15.022 1.00 65.03 H new ATOM 1043 N VAL A 69 11.934 5.526 -10.581 1.00 44.12 N ATOM 1044 CA VAL A 69 10.853 5.087 -9.708 1.00 35.20 C ATOM 1045 C VAL A 69 10.165 3.846 -10.266 1.00 61.13 C ATOM 1046 O VAL A 69 9.969 3.725 -11.475 1.00 34.41 O ATOM 1047 CB VAL A 69 9.803 6.197 -9.512 1.00 43.33 C ATOM 1048 CG1 VAL A 69 8.887 5.866 -8.344 1.00 52.33 C ATOM 1049 CG2 VAL A 69 10.484 7.542 -9.302 1.00 73.44 C ATOM 0 H VAL A 69 11.624 5.941 -11.460 1.00 44.12 H new ATOM 0 HA VAL A 69 11.303 4.848 -8.744 1.00 35.20 H new ATOM 0 HB VAL A 69 9.193 6.260 -10.413 1.00 43.33 H new ATOM 0 HG11 VAL A 69 8.152 6.662 -8.221 1.00 52.33 H new ATOM 0 HG12 VAL A 69 8.373 4.925 -8.540 1.00 52.33 H new ATOM 0 HG13 VAL A 69 9.478 5.774 -7.433 1.00 52.33 H new ATOM 0 HG21 VAL A 69 9.728 8.315 -9.165 1.00 73.44 H new ATOM 0 HG22 VAL A 69 11.119 7.494 -8.417 1.00 73.44 H new ATOM 0 HG23 VAL A 69 11.094 7.781 -10.173 1.00 73.44 H new ATOM 1059 N GLU A 70 9.801 2.927 -9.377 1.00 64.02 N ATOM 1060 CA GLU A 70 9.136 1.694 -9.782 1.00 54.52 C ATOM 1061 C GLU A 70 8.322 1.112 -8.630 1.00 55.04 C ATOM 1062 O GLU A 70 8.486 1.509 -7.476 1.00 30.41 O ATOM 1063 CB GLU A 70 10.163 0.669 -10.265 1.00 21.41 C ATOM 1064 CG GLU A 70 10.009 0.296 -11.730 1.00 22.11 C ATOM 1065 CD GLU A 70 10.523 -1.098 -12.034 1.00 73.04 C ATOM 1066 OE1 GLU A 70 11.262 -1.654 -11.195 1.00 42.41 O ATOM 1067 OE2 GLU A 70 10.186 -1.633 -13.111 1.00 73.01 O ATOM 0 H GLU A 70 9.955 3.013 -8.372 1.00 64.02 H new ATOM 0 HA GLU A 70 8.457 1.930 -10.601 1.00 54.52 H new ATOM 0 HB2 GLU A 70 11.165 1.067 -10.104 1.00 21.41 H new ATOM 0 HB3 GLU A 70 10.077 -0.232 -9.658 1.00 21.41 H new ATOM 0 HG2 GLU A 70 8.957 0.360 -12.009 1.00 22.11 H new ATOM 0 HG3 GLU A 70 10.546 1.019 -12.344 1.00 22.11 H new ATOM 1074 N LEU A 71 7.443 0.169 -8.953 1.00 13.44 N ATOM 1075 CA LEU A 71 6.601 -0.469 -7.946 1.00 4.42 C ATOM 1076 C LEU A 71 7.042 -1.908 -7.700 1.00 45.13 C ATOM 1077 O LEU A 71 6.891 -2.770 -8.566 1.00 23.23 O ATOM 1078 CB LEU A 71 5.136 -0.440 -8.384 1.00 43.25 C ATOM 1079 CG LEU A 71 4.488 0.943 -8.471 1.00 24.44 C ATOM 1080 CD1 LEU A 71 3.104 0.846 -9.094 1.00 25.45 C ATOM 1081 CD2 LEU A 71 4.411 1.582 -7.092 1.00 1.21 C ATOM 0 H LEU A 71 7.295 -0.171 -9.903 1.00 13.44 H new ATOM 0 HA LEU A 71 6.706 0.088 -7.015 1.00 4.42 H new ATOM 0 HB2 LEU A 71 5.060 -0.917 -9.361 1.00 43.25 H new ATOM 0 HB3 LEU A 71 4.557 -1.047 -7.688 1.00 43.25 H new ATOM 0 HG LEU A 71 5.107 1.574 -9.109 1.00 24.44 H new ATOM 0 HD11 LEU A 71 2.659 1.839 -9.148 1.00 25.45 H new ATOM 0 HD12 LEU A 71 3.185 0.430 -10.098 1.00 25.45 H new ATOM 0 HD13 LEU A 71 2.475 0.199 -8.483 1.00 25.45 H new ATOM 0 HD21 LEU A 71 3.947 2.565 -7.172 1.00 1.21 H new ATOM 0 HD22 LEU A 71 3.814 0.952 -6.432 1.00 1.21 H new ATOM 0 HD23 LEU A 71 5.416 1.687 -6.683 1.00 1.21 H new ATOM 1093 N SER A 72 7.586 -2.161 -6.514 1.00 45.41 N ATOM 1094 CA SER A 72 8.051 -3.495 -6.155 1.00 31.41 C ATOM 1095 C SER A 72 6.873 -4.420 -5.864 1.00 60.51 C ATOM 1096 O SER A 72 6.976 -5.640 -6.002 1.00 43.11 O ATOM 1097 CB SER A 72 8.973 -3.427 -4.936 1.00 41.31 C ATOM 1098 OG SER A 72 8.931 -4.634 -4.196 1.00 34.23 O ATOM 0 H SER A 72 7.715 -1.459 -5.785 1.00 45.41 H new ATOM 0 HA SER A 72 8.608 -3.898 -7.001 1.00 31.41 H new ATOM 0 HB2 SER A 72 9.995 -3.231 -5.260 1.00 41.31 H new ATOM 0 HB3 SER A 72 8.676 -2.595 -4.298 1.00 41.31 H new ATOM 0 HG SER A 72 9.530 -4.565 -3.423 1.00 34.23 H new